A0A087YEY8_POEFO Loading...

Anoctamin

AlphaFold DB , UniProt , Accession A0A087YEY8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 918 aa.

						>A0A087YEY8_POEFO|A0A087YEY8
MDDNILEMDSDNDDFDESRLGMIQEEVVYPEEFLPTYYAIKAEVSAKKANLVEYNNQPDSLFFNDGVRSVDFILVYEDEDTKPFDKKSAFKRHKKRREYFEGCLMKMGLELEATPSVHGDNLMYVKVHVPWEVQRTYAEVLHIKIPIEVNDHVDRSPIWDLFDWITKHFKPNEKLIKKEVDHYTAPYQKHHHDCFLKMDKERFFTPSMRSRMANFIMCRAPYEIRGNVKKFGITKLLNTGVYKAAYPPHDCRFNVKSTVESCPNERYLLYKEWAHPKNFYKTQPLDLIRKYYGEKIGIYFAWLGFYTKMLAFASVVGLACFFYGYHIQENSTWSKEVCDPDIGGKIVMCPQCDLCNYWILNSTCDTSKTLTIFDHFGTLVFAVFMAVWVTVFLEFWKRYQSQLEFEWDTVEFLEQQEPSRPEYDAACVYDTINPVTGVQEKVPFTFCGRCFRISIGIGTVLFWIVLILASIVAIIIYRLAVFFSLSIKLKNPGNFTTLEPLKEYVTPQMATSVTAGLINFVVIMILNTLYERVAIWITDFELPRTRTDYENSLTLKMFLFQFVNYYSSCFYIAFVKGKIVGHPGQPVYILGKYRNEECDPGGCLIELTTQLAIIMGGKAIWNNIQEVLLPWVKNLIFRYCTRVTPKKVEPPRWEQDFELQPFTKLGLFYEYLEMVIQFGFVTLFVASFPLAPFLALVNNIIEIRVDAWKMTTQFRRILPEKARDIGAWQPILQWIAILAVATNAMIIAFTSDIIPRLVYYWSFSVEEGYGNHSMSGFINSSLSYFNTDDFSKATVTDAVERPPNITICRYRDFRFPPGHPRQYQYNMHYWHVIAAKMAFIIVVEHVAYLTKFILASVIPDISHTTREHLKRERYLTQAIIHEVRLNLVSKRLKPVKDDLSSHMARNDNDDDELELSEY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	28.2	Very low	217 Å²	217	145.4 Å²	145.4	100%	1.069	76%	0.763	S	S	*	*				0	88	0	-65.2	161.3	-179.7	0	0	105.5
2	D	27.2	Very low	28	Very low	132 Å²	132	144.3 Å²	144.3	71%	0.706	76%	0.758	S	S	*	*			cis	58.1	128.1	30.4	-31.9	-42	0	0	0	109.5
3	D	29.6	Very low	27.8	Very low	136 Å²	136	146.3 Å²	146.3	73%	0.727	77%	0.77	S	S	*	*			cis	-136	157	23.9	-83.9	-61.9	0	0	0	111.3
4	N	32.6	Very low	27.6	Very low	117 Å²	117	146.1 Å²	146.1	63%	0.626	77%	0.77	S	S	*	*				63.5	147.2	55.5	-56.6	-44.5	0	0	0	113.8
5	I	32	Very low	27.5	Very low	136 Å²	136	150.7 Å²	150.7	70%	0.697	78%	0.781	S	S	*	*			cis	-161.9	153.7	-15.1	-106.4	163.4	0	0	0	105.3
6	L	26	Very low	27.4	Very low	156 Å²	156	150.9 Å²	150.9	82%	0.817	78%	0.784	S	S	*	*			trans	172.9	119.8	135.1	-96.4	168.2	0	0	0	113
7	E	28.4	Very low	27.5	Very low	182 Å²	182	152.8 Å²	152.8	85%	0.85	79%	0.788	S	S	*	*			trans	-97	164.2	153.4	-62.5	169.5	117.9	0	0	108.7
8	M	25.7	Very low	27.4	Very low	155 Å²	155	149.1 Å²	149.1	76%	0.764	78%	0.778	S	S	*	*			trans	-177.8	127.9	142.2	-102.7	-178.9	78.4	0	0	110.8
9	D	25.2	Very low	27.4	Very low	138 Å²	138	154.5 Å²	154.5	74%	0.738	79%	0.787	S	S	*	*				43.7	139.1	123.3	-49.8	-9.1	0	0	0	120
10	S	24.6	Very low	27.4	Very low	100 Å²	100	154.7 Å²	154.7	70%	0.699	79%	0.789	S	S	*	*			cis	-153.4	-161.3	-4.8	60	0	0	0	0	108.1
11	D	24.2	Very low	27.4	Very low	130 Å²	130	150.7 Å²	150.7	70%	0.695	79%	0.786	S	S	*	*			cis	-155.5	-162	14.7	-142.7	-74.9	0	0	0	111.6
12	N	25.5	Very low	26.8	Very low	133 Å²	133	148.3 Å²	148.3	71%	0.711	77%	0.774	S	S	*	*			trans	-89.9	158	-172.9	-56.6	-85.3	0	0	0	115.1
13	D	25	Very low	26.8	Very low	170 Å²	170	149.2 Å²	149.2	91%	0.909	78%	0.778	S	S	*	*				-157.1	125.1	128.6	-123.9	-13.9	0	0	0	109.7
14	D	24.8	Very low	26.6	Very low	144 Å²	144	151.5 Å²	151.5	77%	0.77	78%	0.784	S	S	*	*			trans	-86.3	140.3	-177.8	-88	-49.8	0	0	0	111.9
15	F	26.4	Very low	26.4	Very low	214 Å²	214	154 Å²	154	94%	0.939	79%	0.792	S	S	*	*			trans	-142.5	124.4	149.1	-109.5	-80	0	0	0	111.6
16	D	26.2	Very low	26	Very low	154 Å²	154	155.3 Å²	155.3	82%	0.824	80%	0.795	S	S	*	*			trans	-87.6	119.8	-172.6	-179.4	13.3	0	0	0	111.4	S18	D16-S18 PolarHBondContact OD1-N 3.48Å
17	E	28.1	Very low	26.1	Very low	183 Å²	183	153.2 Å²	153.2	86%	0.855	79%	0.788	S	S	*	*			trans	-121.1	74.5	168.9	-163.7	168.8	-130.3	0	0	111.4
18	S	27.1	Very low	25.9	Very low	86 Å²	86	148.9 Å²	148.9	60%	0.601	77%	0.774	S	S	*	*			trans	31	110.3	149.4	64.6	0	0	0	0	117.9	D16 L20	D16-S18 PolarHBondContact OD1-N 3.48Å; S18-L20 PolarHBondContact O-N 3.18Å
19	R	27.2	Very low	26	Very low	253 Å²	253	150.4 Å²	150.4	96%	0.955	77%	0.772	S	S	*	*			trans	-55.2	95	167	-70.9	176.8	170.8	179.7	-3	112.5	G21	R19-G21 PolarHBondContact O-N 3.16Å
20	L	27.8	Very low	26.1	Very low	158 Å²	158	147 Å²	147	83%	0.827	76%	0.758	S	S	*	*			trans	-73.8	114.5	151	-138.1	81.7	0	0	0	107.4	S18 M22	S18-L20 PolarHBondContact O-N 3.18Å; L20-M22 VanDerWaalsContact C-N 3.26Å; L20-M22 PolarHBondContact O-N 3.11Å
21	G	26.1	Very low	26.4	Very low	70 Å²	70	150.3 Å²	150.3	72%	0.722	76%	0.762	S	S	*	*			trans	-69.2	80.8	178.5	0	0	0	0	0	111.4	R19 I23	R19-G21 PolarHBondContact O-N 3.16Å; G21-I23 PolarHBondContact O-N 3.47Å
22	M	23.1	Very low	26.7	Very low	167 Å²	167	152.8 Å²	152.8	82%	0.823	77%	0.77	S	S	*	*			trans	-61.4	103.7	164.1	-74	-162.5	-67.9	0	0	107.9	L20 Q24	L20-M22 VanDerWaalsContact C-N 3.26Å; L20-M22 PolarHBondContact O-N 3.11Å; M22-Q24 PolarHBondContact O-N 3.06Å
23	I	27.5	Very low	27.1	Very low	152 Å²	152	153.2 Å²	153.2	78%	0.779	77%	0.766	S	S	*	*			trans	-56.5	111	159.4	-61.8	172.3	0	0	0	105	G21 E25	G21-I23 PolarHBondContact O-N 3.47Å; I23-E25 HydrophobicContact CG2-CG 4.46Å; I23-E25 PolarHBondContact O-N 3.46Å
24	Q	25.4	Very low	27.8	Very low	183 Å²	183	147.9 Å²	147.9	86%	0.855	74%	0.737	S	S	*	*			trans	-66.9	91.1	163.7	-74.6	178.9	-64.8	0	0	106.2	M22 E26	M22-Q24 PolarHBondContact O-N 3.06Å; Q24-E26 PolarHBondContact O-N 3.06Å
25	E	28.1	Very low	28.6	Very low	170 Å²	170	143.4 Å²	143.4	79%	0.794	72%	0.716	S	S	*	*			trans	-60.2	89.6	153.1	-76.9	-165	145.7	0	0	105.8	I23 V27	I23-E25 HydrophobicContact CG2-CG 4.46Å; I23-E25 PolarHBondContact O-N 3.46Å; E25-V27 WeakPolarHBondContact O-CG2 3.27Å; E25-V27 PolarHBondContact O-N 3.03Å
26	E	24.3	Very low	29.6	Very low	164 Å²	164	135.1 Å²	135.1	77%	0.766	68%	0.682	S	S	*	*			trans	-55.1	105.6	168.9	-160.8	177.7	-123.4	0	0	105.8	Q24 V28	Q24-E26 PolarHBondContact O-N 3.06Å; E26-V28 HydrophobicContact CB-CG2 4.15Å; E26-V28 HydrophobicContact CG-CG2 3.74Å; E26-V28 PolarHBondContact O-N 3.16Å; E26-V28 WeakPolarHBondContact OE2-CG2 3.45Å
27	V	27.2	Very low	30.4	Very low	112 Å²	112	132.4 Å²	132.4	68%	0.679	66%	0.661	S	S	*	*			trans	-75.7	64	179	-171.1	0	0	0	0	108.2	E25 Y29	E25-V27 WeakPolarHBondContact O-CG2 3.27Å; E25-V27 PolarHBondContact O-N 3.03Å; V27-Y29 VanDerWaalsContact C-N 3.25Å; V27-Y29 HydrophobicContact CG1-CD2 4.24Å; V27-Y29 HydrophobicContact CG1-CE2 3.96Å; V27-Y29 PolarHBondContact O-N 3.34Å
28	V	23.6	Very low	31.3	Very low	90 Å²	90	130.5 Å²	130.5	55%	0.545	65%	0.647	S	S	.	*			trans	-63.6	93.1	165.1	-179.8	0	0	0	0	105.8	E26 P30	E26-V28 HydrophobicContact CB-CG2 4.15Å; E26-V28 HydrophobicContact CG-CG2 3.74Å; E26-V28 PolarHBondContact O-N 3.16Å; E26-V28 WeakPolarHBondContact OE2-CG2 3.45Å; V28-P30 WeakPolarHBondContact O-CD 3.5Å; V28-P30 VanDerWaalsContact O-N 3.1Å
29	Y	28.6	Very low	32.4	Very low	187 Å²	187	129 Å²	129	73%	0.733	64%	0.641	S	S	*	*			trans	-55.5	110	154.9	-73.3	-88.6	0	0	0	106.6	V27 E31	V27-Y29 VanDerWaalsContact C-N 3.25Å; V27-Y29 HydrophobicContact CG1-CD2 4.24Å; V27-Y29 HydrophobicContact CG1-CE2 3.96Å; V27-Y29 PolarHBondContact O-N 3.34Å; Y29-E31 PolarHBondContact O-N 2.93Å; Y29-E31 VanDerWaalsContact O-N 3.17Å
30	P	27.9	Very low	33.9	Very low	68 Å²	68	117.3 Å²	117.3	44%	0.442	60%	0.597	S	S	.	*			trans	-69.6	121	-177.8	-15.3	31.5	0	0	0	107.4	V28 E32 F33	V28-P30 WeakPolarHBondContact O-CD 3.5Å; V28-P30 VanDerWaalsContact O-N 3.1Å; P30-E32 PolarHBondContact O-N 3.27Å; P30-F33 HydrophobicContact CG-CD2 4.31Å; P30-F33 PolarHBondContact O-N 2.71Å
31	E	30.2	Very low	35.3	Very low	168 Å²	168	118 Å²	118	79%	0.785	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-16.1	178.9	-65.2	-163.4	122.1	0	0	112.8	Y29	Y29-E31 PolarHBondContact O-N 2.93Å; Y29-E31 VanDerWaalsContact O-N 3.17Å
32	E	30.2	Very low	36.5	Very low	183 Å²	183	117.6 Å²	117.6	86%	0.855	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-15.5	178.2	-54.4	-163.6	123.4	0	0	115.1	P30 L34	P30-E32 PolarHBondContact O-N 3.27Å; E32-L34 PolarHBondContact O-N 2.93Å
33	F	33.6	Very low	37.9	Very low	142 Å²	142	118.7 Å²	118.7	62%	0.623	59%	0.586	S	S	*	*	S	Bend	trans	-73.5	-3.6	-168.1	-135.6	-90.4	0	0	0	115	P30	P30-F33 HydrophobicContact CG-CD2 4.31Å; P30-F33 PolarHBondContact O-N 2.71Å
34	L	41.1	Very low	39.2	Very low	58 Å²	58	112.7 Å²	112.7	30%	0.304	56%	0.557	S	S	.	*	S	Bend	trans	-136.5	146.3	177	-68.6	171.6	0	0	0	110.2	E32 T36 T136 V140	E32-L34 PolarHBondContact O-N 2.93Å; L34-T36 HydrophobicContact CB-CG2 3.68Å; L34-T36 HydrophobicContact CD1-CG2 4.45Å; L34-T36 PolarHBondContact O-N 2.92Å; L34-T136 HydrophobicContact CD2-CG2 3.61Å; L34-V140 HydrophobicContact CD1-CG2 3.58Å; L34-V140 HydrophobicContact CD2-CG2 3.45Å; L34-V140 VanDerWaalsContact CD2-CG2 3.45Å; L34-V140 HydrophobicContact CG-CG2 4.17Å
35	P	40.5	Very low	40.6	Very low	50 Å²	50	109.3 Å²	109.3	33%	0.325	55%	0.553	S	S	.	*			trans	-72.6	61.7	164.8	32.8	-34.9	0	0	0	110.4
36	T	47.1	Very low	42	Very low	39 Å²	39	103.3 Å²	103.3	24%	0.239	53%	0.533	C	S	.	.			trans	-63.5	168.3	174.2	65.7	0	0	0	0	111	L34 Y38 A39	L34-T36 HydrophobicContact CB-CG2 3.68Å; L34-T36 HydrophobicContact CD1-CG2 4.45Å; L34-T36 PolarHBondContact O-N 2.92Å; T36-Y38 PolarHBondContact O-N 3.5Å; T36-Y38 PolarHBondContact OG1-N 2.94Å; T36-A39 PolarHBondContact O-N 3.09Å; T36-A39 VanDerWaalsContact O-N 3.13Å
37	Y	44.3	Very low	43.8	Very low	97 Å²	97	103 Å²	103	38%	0.38	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-13	172.6	64.3	-89.8	0	0	0	113.5	K229	Y37-K229 PolarHBondContact O-NZ 2.94Å
38	Y	47.2	Very low	45.8	Very low	143 Å²	143	103.6 Å²	103.6	56%	0.561	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-45.3	172.1	-67.9	-71.9	0	0	0	112.2	T36 I40 K229	T36-Y38 PolarHBondContact O-N 3.5Å; T36-Y38 PolarHBondContact OG1-N 2.94Å; Y38-I40 VanDerWaalsContact C-N 3.26Å; Y38-I40 PolarHBondContact O-N 3.41Å; Y38-I40 VanDerWaalsContact O-N 3.15Å; Y38-K229 PolarHBondContact O-NZ 3.18Å
39	A	49.6	Very low	48.3	Very low	56 Å²	56	100 Å²	100	46%	0.463	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.8	-172.4	0	0	0	0	0	115.3	T36 K41	T36-A39 PolarHBondContact O-N 3.09Å; T36-A39 VanDerWaalsContact O-N 3.13Å; A39-K41 PolarHBondContact O-N 3.35Å
40	I	58.4	Low	50.9	Low	6 Å²	6	96.4 Å²	96.4	3%	0.031	50%	0.495	C	S	.	.			trans	-80.3	93.2	-179.9	-55.9	-175.5	0	0	0	110.8	Y38 V44 C103 M107 P221	Y38-I40 VanDerWaalsContact C-N 3.26Å; Y38-I40 PolarHBondContact O-N 3.41Å; Y38-I40 VanDerWaalsContact O-N 3.15Å; I40-V44 HydrophobicContact CG2-CG2 3.95Å; I40-C103 HydrophobicContact CD1-CB 4.43Å; I40-M107 HydrophobicContact CD1-CE 3.86Å; I40-M107 HydrophobicContact CD1-CG 4.12Å; I40-M107 HydrophobicContact CD1-SD 4.47Å; I40-P221 HydrophobicContact CD1-CG 3.96Å; I40-P221 HydrophobicContact CG2-CG 4.33Å
41	K	56.3	Low	53.6	Low	172 Å²	172	99.1 Å²	99.1	75%	0.748	51%	0.506	S	S	*	.			trans	-64.2	152.9	165.1	-62.6	-177.9	-178.4	177.7	0	111	A39 E43	A39-K41 PolarHBondContact O-N 3.35Å; K41-E43 VanDerWaalsContact C-N 3.32Å; K41-E43 PolarHBondContact O-N 3.02Å
42	A	52.5	Low	56.2	Low	63 Å²	63	93.7 Å²	93.7	52%	0.521	48%	0.484	S	S	.	.	S	Bend	trans	-64.2	-28.5	-164.9	0	0	0	0	0	115.3	V44 I224	A42-V44 PolarHBondContact O-N 2.91Å; A42-I224 HydrophobicContact CB-CG2 4.32Å
43	E	52.3	Low	58.7	Low	189 Å²	189	93 Å²	93	88%	0.883	48%	0.481	S	S	*	.			trans	-79	85.6	179.9	-65.9	-178.4	168.7	0	0	111	K41	K41-E43 VanDerWaalsContact C-N 3.32Å; K41-E43 PolarHBondContact O-N 3.02Å
44	V	55	Low	60.9	Low	26 Å²	26	87.5 Å²	87.5	16%	0.158	46%	0.456	C	S	.	.			trans	-109.2	109.5	169.3	-179.3	0	0	0	0	108.1	I40 A42 A46 Y99 K106	I40-V44 HydrophobicContact CG2-CG2 3.95Å; A42-V44 PolarHBondContact O-N 2.91Å; V44-A46 PolarHBondContact O-N 3.24Å; V44-Y99 HydrophobicContact CB-CE2 4.07Å; V44-Y99 HydrophobicContact CG2-CE2 4.44Å; V44-K106 HydrophobicContact CG2-CD 4.29Å
45	S	53.8	Low	62.6	Low	112 Å²	112	87 Å²	87	78%	0.783	45%	0.454	S	S	*	.			trans	-64.6	120.8	164.5	-175.8	0	0	0	0	108.4	K47	S45-K47 VanDerWaalsContact C-N 3.34Å; S45-K47 PolarHBondContact O-N 2.78Å
46	A	58.1	Low	64.5	Low	45 Å²	45	89.6 Å²	89.6	37%	0.372	47%	0.465	S	S	.	.			trans	-74.9	83.7	-172.6	0	0	0	0	0	111.2	V44 K48 E98	V44-A46 PolarHBondContact O-N 3.24Å; A46-K48 PolarHBondContact O-N 2.89Å; A46-E98 HydrophobicContact CB-CB 4.43Å
47	K	62.1	Low	66.1	Low	156 Å²	156	92.3 Å²	92.3	68%	0.678	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-56	130.4	160.8	-70	-171.7	176.1	-174.5	0	108.1	S45 M105	S45-K47 VanDerWaalsContact C-N 3.34Å; S45-K47 PolarHBondContact O-N 2.78Å; K47-M105 HydrophobicContact CB-CE 4.43Å; K47-M105 HydrophobicContact CB-SD 3.97Å; K47-M105 VanDerWaalsContact O-CE 3.26Å; K47-M105 WeakPolarHBondContact O-CE 3.4Å
48	K	68.8	Low	67.7	Low	126 Å²	126	89.5 Å²	89.5	55%	0.548	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-90.3	150.6	176.3	-58.1	-163.1	-178.1	-153	0	109.9	A46 E98 M105	A46-K48 PolarHBondContact O-N 2.89Å; K48-E98 WeakPolarHBondContact CE-OE1 3.4Å; K48-E98 IonicContact NZ-OE1 3.68Å; K48-E98 PolarHBondContact NZ-OE1 3.29Å; K48-M105 VanDerWaalsContact C-CE 3.46Å
49	A	77.3	Confident	69.3	Low	13 Å²	13	83.2 Å²	83.2	11%	0.107	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-58.6	145.4	169.4	0	0	0	0	0	110	L51 M105 L111 A113 V125	A49-L51 PolarHBondContact O-N 3.23Å; A49-L51 VanDerWaalsContact O-N 3.17Å; A49-M105 HydrophobicContact CB-CE 4.44Å; A49-L111 HydrophobicContact CB-CB 3.77Å; A49-A113 HydrophobicContact CB-CB 4.09Å; A49-V125 HydrophobicContact CB-CG1 4.32Å
50	N	82.3	Confident	71	Confident	112 Å²	112	80.7 Å²	80.7	60%	0.599	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	116.6	179.3	-73.6	-15.8	0	0	0	109.1	L111 A113	N50-L111 PolarHBondContact N-O 3.28Å; N50-A113 PolarHBondContact O-N 2.88Å
51	L	84.4	Confident	72.4	Confident	126 Å²	126	81.5 Å²	81.5	66%	0.66	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.4	175.7	-178.8	65.3	0	0	0	109.4	A49 A113 M123	A49-L51 PolarHBondContact O-N 3.23Å; A49-L51 VanDerWaalsContact O-N 3.17Å; L51-A113 WeakPolarHBondContact CA-O 3.28Å; L51-A113 HydrophobicContact CD1-CB 4.36Å; L51-M123 HydrophobicContact CD1-CE 3.57Å
52	V	85.7	Confident	73.9	Confident	54 Å²	54	74.8 Å²	74.8	33%	0.327	40%	0.399	S	S	.	.			trans	-136.3	144.2	-179.1	-160.2	0	0	0	0	109.7	N64 E112 A113 P115	V52-N64 HydrophobicContact CG1-CB 4.42Å; V52-N64 WeakPolarHBondContact CG1-ND2 3.42Å; V52-E112 HydrophobicContact CB-CG 4.49Å; V52-E112 HydrophobicContact CG2-CG 3.93Å; V52-A113 PolarHBondContact N-O 2.9Å; V52-P115 WeakPolarHBondContact O-CD 3.25Å
53	E	82.4	Confident	75.7	Confident	168 Å²	168	71.9 Å²	71.9	79%	0.785	37%	0.374	S	S	*	.			trans	-72.4	159.7	173	-63.3	-170.5	166.8	0	0	111.7	N64	E53-N64 PolarHBondContact O-ND2 2.95Å
54	Y	79.5	Confident	77.4	Confident	27 Å²	27	64.6 Å²	64.6	11%	0.106	34%	0.341	C	S	.	.			trans	-74.9	129.9	-177.6	169.8	-131.5	0	0	0	112.3	N56 Q57 P58 V117 V648 E649 P651 W653	Y54-N56 PolarHBondContact O-N 3.2Å; Y54-N56 VanDerWaalsContact O-N 3.12Å; Y54-Q57 VanDerWaalsContact OH-C 3.26Å; Y54-Q57 PolarHBondContact OH-O 3.03Å; Y54-P58 VanDerWaalsContact OH-CA 3.25Å; Y54-P58 WeakPolarHBondContact OH-CA 3.39Å; Y54-V117 HydrophobicContact CD1-CG2 3.38Å; Y54-V117 HydrophobicContact CE1-CG2 3.83Å; Y54-V117 HydrophobicContact CG-CG2 4.08Å; Y54-V648 HydrophobicContact CD1-CG1 4.27Å; Y54-V648 HydrophobicContact CE1-CG1 3.71Å; Y54-E649 PolarHBondContact OH-O 3.01Å; Y54-E649 VanDerWaalsContact OH-O 3.09Å; Y54-P651 HydrophobicContact CD2-CB 4.35Å; Y54-P651 HydrophobicContact CD2-CG 4.48Å; Y54-P651 HydrophobicContact CE2-CB 3.67Å; Y54-P651 HydrophobicContact CE2-CG 4.12Å; Y54-W653 HydrophobicContact CD2-CH2 4.38Å; Y54-W653 HydrophobicContact CD2-CZ2 4.09Å; Y54-W653 HydrophobicContact CE2-CH2 4.42Å; Y54-W653 HydrophobicContact CE2-CZ2 4.37Å
55	N	77.7	Confident	78.8	Confident	48 Å²	48	66.8 Å²	66.8	26%	0.257	35%	0.352	S	S	.	.			trans	-76.7	11.8	-177.2	72.1	-7.8	0	0	0	115.3	Q57	N55-Q57 PolarHBondContact O-N 3.38Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.36Å; N55-Q57 PolarHBondContact OD1-N 2.83Å
56	N	79.1	Confident	80.2	Confident	104 Å²	104	63.6 Å²	63.6	56%	0.556	34%	0.337	S	S	*	.	S	Bend	trans	58.3	21	-178.2	-62.1	-59.8	0	0	0	116	Y54 P58 V648	Y54-N56 PolarHBondContact O-N 3.2Å; Y54-N56 VanDerWaalsContact O-N 3.12Å; N56-P58 VanDerWaalsContact O-CD 3.31Å; N56-P58 WeakPolarHBondContact O-CD 3.31Å; N56-V648 WeakPolarHBondContact OD1-CG1 3.34Å
57	Q	81.1	Confident	81.4	Confident	96 Å²	96	66.2 Å²	66.2	45%	0.449	35%	0.348	S	S	.	.			trans	-98.7	100.7	175.5	-64.5	-172.7	-1.5	0	0	112.3	Y54 N55 D59 S60	Y54-Q57 VanDerWaalsContact OH-C 3.26Å; Y54-Q57 PolarHBondContact OH-O 3.03Å; N55-Q57 PolarHBondContact O-N 3.38Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.36Å; N55-Q57 PolarHBondContact OD1-N 2.83Å; Q57-D59 PolarHBondContact O-N 3.47Å; Q57-S60 PolarHBondContact O-N 3.3Å; Q57-S60 PolarHBondContact O-OG 3.22Å
58	P	78	Confident	82.6	Confident	38 Å²	38	61.6 Å²	61.6	25%	0.247	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-32.2	-168.5	26.2	-35.4	0	0	0	114.9	Y54 N56 E649 P651 R652 Q655	Y54-P58 VanDerWaalsContact OH-CA 3.25Å; Y54-P58 WeakPolarHBondContact OH-CA 3.39Å; N56-P58 VanDerWaalsContact O-CD 3.31Å; N56-P58 WeakPolarHBondContact O-CD 3.31Å; P58-E649 HydrophobicContact CB-CB 3.74Å; P58-E649 HydrophobicContact CG-CB 4.22Å; P58-P651 CarbonylContact O-C 3.54Å; P58-P651 WeakPolarHBondContact O-CA 3.35Å; P58-R652 PolarHBondContact O-N 3.39Å; P58-Q655 PolarHBondContact O-NE2 3.22Å
59	D	81.2	Confident	83.6	Confident	10 Å²	10	56.7 Å²	56.7	5%	0.053	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	24.2	-178	-79.9	-12.7	0	0	0	113.4	Q57 R252 R652 Q655	Q57-D59 PolarHBondContact O-N 3.47Å; D59-R252 IonicContact OD1-NE 2.68Å; D59-R652 VanDerWaalsContact OD1-CD 3.27Å; D59-R652 WeakPolarHBondContact OD1-CD 3.22Å; D59-Q655 PolarHBondContact OD1-NE2 2.89Å
60	S	84.8	Confident	84.3	Confident	4 Å²	4	56.6 Å²	56.6	3%	0.028	31%	0.306	C	S	.	.			trans	-73.5	131.5	175.5	57.6	0	0	0	0	112.7	Q57 R652	Q57-S60 PolarHBondContact O-N 3.3Å; Q57-S60 PolarHBondContact O-OG 3.22Å; S60-R652 VanDerWaalsContact O-CG 3.27Å; S60-R652 WeakPolarHBondContact O-CG 3.45Å
61	L	87.5	Confident	84.8	Confident	22 Å²	22	51.5 Å²	51.5	12%	0.115	28%	0.279	C	S	.	.			trans	-101.9	12.5	169.7	-65.3	175.9	0	0	0	112.7	S69 V70 P248 D250 C262 R652	L61-S69 CarbonylContact O-C 3.57Å; L61-S69 WeakPolarHBondContact O-CA 3.47Å; L61-V70 PolarHBondContact O-N 3.33Å; L61-P248 HydrophobicContact CD2-CB 4.36Å; L61-D250 HydrophobicContact CD1-CB 3.93Å; L61-D250 WeakPolarHBondContact CD1-O 3.49Å; L61-D250 WeakPolarHBondContact CD2-O 3.49Å; L61-C262 HydrophobicContact CD1-CB 4.44Å; L61-R652 HydrophobicContact CD2-CG 4.24Å
62	F	88.8	Confident	85.3	Confident	32 Å²	32	45.7 Å²	45.7	14%	0.14	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-118	161.2	-173.8	-64.5	-94.4	0	0	0	110.8	R68	F62-R68 CarbonylContact C-O 3.5Å; F62-R68 VanDerWaalsContact CA-O 3.32Å; F62-R68 WeakPolarHBondContact CA-O 3.37Å
63	F	90.6	Very high	85.8	Confident	1 Å²	1	43.2 Å²	43.2	0%	0.004	23%	0.233	C	C	.	.			trans	-62.4	168	165.4	-79.8	45.9	0	0	0	108.9	D65 G66 R68 V70 E112 K126 H128	F63-D65 PolarHBondContact O-N 2.82Å; F63-G66 PolarHBondContact O-N 3.28Å; F63-R68 HydrophobicContact CB-CB 4.1Å; F63-R68 HydrophobicContact CD1-CB 4.14Å; F63-R68 VanDerWaalsContact CD1-O 3.25Å; F63-R68 WeakPolarHBondContact CD1-O 3.38Å; F63-R68 HydrophobicContact CD2-CB 4.44Å; F63-R68 HydrophobicContact CG-CB 3.98Å; F63-R68 PolarHBondContact N-O 3.48Å; F63-V70 HydrophobicContact CD1-CG2 3.8Å; F63-V70 HydrophobicContact CE1-CG2 3.99Å; F63-E112 HydrophobicContact CD2-CB 3.41Å; F63-E112 VanDerWaalsContact CD2-CB 3.41Å; F63-E112 HydrophobicContact CD2-CG 4.17Å; F63-E112 WeakPolarHBondContact CD2-OE2 3.05Å; F63-E112 HydrophobicContact CE2-CB 3.33Å; F63-E112 HydrophobicContact CG-CB 4.33Å; F63-E112 HydrophobicContact CZ-CB 4.18Å; F63-K126 HydrophobicContact CD1-CB 4.18Å; F63-K126 HydrophobicContact CD1-CD 4.23Å; F63-K126 HydrophobicContact CE1-CB 3.62Å; F63-K126 HydrophobicContact CE2-CB 4.45Å; F63-K126 HydrophobicContact CG-CD 4.42Å; F63-K126 HydrophobicContact CZ-CB 3.78Å; F63-H128 HydrophobicContact CD1-CB 4.45Å; F63-H128 HydrophobicContact CE1-CB 3.59Å; F63-H128 HydrophobicContact CE2-CB 4.36Å; F63-H128 HydrophobicContact CZ-CB 3.53Å
64	N	86.8	Confident	86.4	Confident	36 Å²	36	35.2 Å²	35.2	19%	0.193	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.3	-174.5	-75.6	-2.8	0	0	0	114.1	V52 E53 E112 K126	V52-N64 HydrophobicContact CG1-CB 4.42Å; V52-N64 WeakPolarHBondContact CG1-ND2 3.42Å; E53-N64 PolarHBondContact O-ND2 2.95Å; N64-E112 PolarHBondContact N-OE1 3.25Å; N64-E112 PolarHBondContact N-OE2 3.23Å; N64-E112 PolarHBondContact OD1-OE1 3.2Å; N64-K126 PolarHBondContact OD1-NZ 3.42Å
65	D	84.7	Confident	87	Confident	72 Å²	72	34 Å²	34	39%	0.385	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-15.5	171	56.1	41.4	0	0	0	115.2	F63 V67 R68	F63-D65 PolarHBondContact O-N 2.82Å; D65-V67 VanDerWaalsContact C-N 3.26Å; D65-V67 PolarHBondContact O-N 3.36Å; D65-V67 PolarHBondContact OD1-N 2.86Å; D65-R68 PolarHBondContact OD1-N 2.92Å; D65-R68 IonicContact OD2-CZ 3.3Å; D65-R68 IonicContact OD2-NE 2.78Å; D65-R68 PolarHBondContact OD2-NE 2.89Å; D65-R68 IonicContact OD2-NH2 3.79Å; D65-R68 PolarHBondContact OD2-NH2 3.5Å
66	G	82.8	Confident	87.6	Confident	46 Å²	46	33 Å²	33	47%	0.474	18%	0.184	S	C	.	.	S	Bend	trans	74.5	5.4	-176.8	0	0	0	0	0	115.7	F63	F63-G66 PolarHBondContact O-N 3.28Å
67	V	84.1	Confident	88	Confident	99 Å²	99	31 Å²	31	60%	0.6	17%	0.171	S	C	*	.	S	Bend	trans	-110	-47.3	-176	-179.7	0	0	0	0	111.6	D65	D65-V67 VanDerWaalsContact C-N 3.26Å; D65-V67 PolarHBondContact O-N 3.36Å; D65-V67 PolarHBondContact OD1-N 2.86Å
68	R	88.1	Confident	87.7	Confident	59 Å²	59	28.5 Å²	28.5	22%	0.223	16%	0.161	C	C	.	.	S	Bend	trans	-86.5	117.3	-176.4	-67.8	174.2	-68.3	154.8	7.3	110.4	F62 F63 D65 E110 E112	F62-R68 CarbonylContact C-O 3.5Å; F62-R68 VanDerWaalsContact CA-O 3.32Å; F62-R68 WeakPolarHBondContact CA-O 3.37Å; F63-R68 HydrophobicContact CB-CB 4.1Å; F63-R68 HydrophobicContact CD1-CB 4.14Å; F63-R68 VanDerWaalsContact CD1-O 3.25Å; F63-R68 WeakPolarHBondContact CD1-O 3.38Å; F63-R68 HydrophobicContact CD2-CB 4.44Å; F63-R68 HydrophobicContact CG-CB 3.98Å; F63-R68 PolarHBondContact N-O 3.48Å; D65-R68 PolarHBondContact OD1-N 2.92Å; D65-R68 IonicContact OD2-CZ 3.3Å; D65-R68 IonicContact OD2-NE 2.78Å; D65-R68 PolarHBondContact OD2-NE 2.89Å; D65-R68 IonicContact OD2-NH2 3.79Å; D65-R68 PolarHBondContact OD2-NH2 3.5Å; R68-E110 WeakPolarHBondContact CD-OE2 3.4Å; R68-E110 IonicContact CZ-OE2 2.74Å; R68-E110 IonicContact NE-OE2 2.76Å; R68-E110 IonicContact NH1-OE2 2.68Å; R68-E110 PolarHBondContact NH1-OE2 3.36Å; R68-E112 IonicContact NH2-OE2 3.14Å
69	S	88.9	Confident	87.2	Confident	24 Å²	24	27.6 Å²	27.6	17%	0.168	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-79.1	144.5	179.5	74.7	0	0	0	0	112.7	L61 D71 H128 R209	L61-S69 CarbonylContact O-C 3.57Å; L61-S69 WeakPolarHBondContact O-CA 3.47Å; S69-D71 PolarHBondContact O-N 2.83Å; S69-H128 PolarHBondContact O-ND1 3.34Å; S69-R209 VanDerWaalsContact OG-CZ 3.23Å; S69-R209 PolarHBondContact OG-NH1 2.93Å; S69-R209 VanDerWaalsContact OG-NH1 3.1Å; S69-R209 PolarHBondContact OG-NH2 3.08Å
70	V	92.2	Very high	86.5	Confident	11 Å²	11	32.3 Å²	32.3	7%	0.067	18%	0.179	C	C	.	.			trans	-78.9	110.5	179.7	-175	0	0	0	0	110	L61 F63 F72 I73 K126 P248	L61-V70 PolarHBondContact O-N 3.33Å; F63-V70 HydrophobicContact CD1-CG2 3.8Å; F63-V70 HydrophobicContact CE1-CG2 3.99Å; V70-F72 VanDerWaalsContact CG1-O 3.31Å; V70-F72 WeakPolarHBondContact CG1-O 3.31Å; V70-I73 HydrophobicContact CG1-CG1 4.03Å; V70-K126 HydrophobicContact CG1-CB 4.14Å; V70-K126 HydrophobicContact CG2-CB 4.1Å; V70-K126 HydrophobicContact CG2-CD 3.98Å; V70-K126 HydrophobicContact CG2-CG 4.18Å; V70-P248 HydrophobicContact CB-CG 4.44Å; V70-P248 HydrophobicContact CG1-CG 4.25Å; V70-P248 VanDerWaalsContact O-CG 3.28Å; V70-P248 WeakPolarHBondContact O-CG 3.5Å
71	D	93.4	Very high	85.5	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.021	20%	0.198	C	C	.	.			trans	-89.9	-25.3	179.4	-64.3	-50.4	0	0	0	112.6	S69 V127 H128 V129 R209 S210	S69-D71 PolarHBondContact O-N 2.83Å; D71-V127 PolarHBondContact N-O 3.45Å; D71-H128 IonicContact OD2-ND1 3.68Å; D71-V129 HydrophobicContact CB-CG2 4.17Å; D71-V129 PolarHBondContact OD2-N 2.8Å; D71-R209 WeakPolarHBondContact OD1-CB 3.32Å; D71-R209 IonicContact OD1-CZ 2.66Å; D71-R209 IonicContact OD1-NE 3.81Å; D71-R209 PolarHBondContact OD1-NE 3.22Å; D71-R209 IonicContact OD1-NH2 2.63Å; D71-R209 PolarHBondContact OD1-NH2 3.32Å; D71-R209 IonicContact OD2-CZ 2.74Å; D71-R209 IonicContact OD2-NE 2.7Å; D71-R209 PolarHBondContact OD2-NE 3.3Å; D71-R209 IonicContact OD2-NH2 3.1Å; D71-R209 PolarHBondContact OD2-NH2 2.91Å; D71-S210 PolarHBondContact O-OG 3.26Å
72	F	94.6	Very high	84.1	Confident	5 Å²	5	36.9 Å²	36.9	2%	0.022	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	159.2	177.3	-128.4	-98.2	0	0	0	112.5	V70 L74 V127 A213 N214 M217 A245 Y246 P247 L718	V70-F72 VanDerWaalsContact CG1-O 3.31Å; V70-F72 WeakPolarHBondContact CG1-O 3.31Å; F72-L74 HydrophobicContact CD1-CD2 4.33Å; F72-V127 HydrophobicContact CB-CB 3.85Å; F72-V127 HydrophobicContact CB-CG2 4.09Å; F72-V127 PolarHBondContact N-O 3.37Å; F72-V127 PolarHBondContact O-N 2.95Å; F72-A213 HydrophobicContact CB-CB 4.35Å; F72-A213 HydrophobicContact CD2-CB 4.12Å; F72-N214 HydrophobicContact CE2-CB 3.98Å; F72-N214 HydrophobicContact CZ-CB 4.19Å; F72-M217 HydrophobicContact CB-CE 3.99Å; F72-M217 HydrophobicContact CD1-CE 3.36Å; F72-M217 HydrophobicContact CD1-SD 4.46Å; F72-M217 HydrophobicContact CD2-CE 3.95Å; F72-M217 HydrophobicContact CE1-CE 3.64Å; F72-M217 HydrophobicContact CE2-CE 4.21Å; F72-M217 HydrophobicContact CG-CE 3.51Å; F72-M217 HydrophobicContact CZ-CE 4.06Å; F72-A245 HydrophobicContact CE1-CB 3.95Å; F72-Y246 WeakPolarHBondContact CD1-O 3.49Å; F72-P247 HydrophobicContact CD2-CB 4.14Å; F72-P247 HydrophobicContact CE2-CB 4.17Å; F72-P247 HydrophobicContact CE2-CG 4.33Å; F72-L718 HydrophobicContact CE2-CD1 3.87Å; F72-L718 HydrophobicContact CZ-CD1 4.37Å
73	I	95.4	Very high	82.7	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132	174.9	-61.9	151	0	0	0	109.1	V70 V75 Y124 V125 A245 Y246 P248 W653	V70-I73 HydrophobicContact CG1-CG1 4.03Å; I73-V75 HydrophobicContact CG2-CG2 3.99Å; I73-Y124 HydrophobicContact CG2-CD1 4.23Å; I73-V125 WeakPolarHBondContact CA-O 3.16Å; I73-A245 VanDerWaalsContact O-CA 3.31Å; I73-A245 WeakPolarHBondContact O-CA 3.38Å; I73-Y246 HydrophobicContact CB-CE2 4.15Å; I73-Y246 HydrophobicContact CD1-CD2 4.21Å; I73-Y246 HydrophobicContact CD1-CE2 3.6Å; I73-Y246 HydrophobicContact CG2-CE1 4.32Å; I73-Y246 HydrophobicContact CG2-CE2 4.36Å; I73-Y246 PolarHBondContact N-O 3.25Å; I73-Y246 PolarHBondContact O-N 2.83Å; I73-Y246 VanDerWaalsContact O-N 3.07Å; I73-P248 HydrophobicContact CD1-CB 3.84Å; I73-P248 HydrophobicContact CD1-CG 4.41Å; I73-W653 HydrophobicContact CD1-CB 3.45Å; I73-W653 VanDerWaalsContact CD1-CB 3.45Å; I73-W653 HydrophobicContact CG1-CB 3.94Å; I73-W653 HydrophobicContact CG2-CB 4.13Å
74	L	94.5	Very high	81	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.5	166.9	-51.6	-176.2	0	0	0	109.7	F72 F100 L104 V125 V127 M217 I233 Y242 A245	F72-L74 HydrophobicContact CD1-CD2 4.33Å; L74-F100 HydrophobicContact CD1-CE1 4.48Å; L74-L104 HydrophobicContact CD1-CD1 4.39Å; L74-V125 HydrophobicContact CB-CB 4.24Å; L74-V125 PolarHBondContact N-O 2.96Å; L74-V125 PolarHBondContact O-N 2.75Å; L74-V127 HydrophobicContact CD1-CG2 4.36Å; L74-V127 HydrophobicContact CG-CG2 4.05Å; L74-M217 HydrophobicContact CD1-SD 4.25Å; L74-M217 HydrophobicContact CD2-SD 3.86Å; L74-M217 HydrophobicContact CG-SD 4.41Å; L74-I233 HydrophobicContact CD2-CD1 3.5Å; L74-I233 VanDerWaalsContact CD2-CD1 3.5Å; L74-Y242 HydrophobicContact CB-CD1 4.02Å; L74-Y242 HydrophobicContact CB-CE1 3.76Å; L74-Y242 HydrophobicContact CD1-CE1 4.07Å; L74-Y242 HydrophobicContact CD1-CE2 4.29Å; L74-A245 HydrophobicContact CD2-CB 3.54Å
75	V	93.1	Very high	79.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.7	-179.2	-166.8	0	0	0	0	110.2	I73 L122 M123 Y124 Y242 K243 A244 Y246 F657	I73-V75 HydrophobicContact CG2-CG2 3.99Å; V75-L122 HydrophobicContact CG1-CD2 4.18Å; V75-M123 WeakPolarHBondContact CA-O 3.36Å; V75-Y124 HydrophobicContact CB-CD1 4.41Å; V75-Y124 HydrophobicContact CB-CE1 4.42Å; V75-Y124 HydrophobicContact CG1-CD1 4.04Å; V75-Y124 HydrophobicContact CG1-CE1 3.76Å; V75-Y124 HydrophobicContact CG2-CD1 3.69Å; V75-Y124 HydrophobicContact CG2-CE1 3.77Å; V75-Y242 CarbonylContact O-C 3.6Å; V75-K243 PolarHBondContact O-N 3.32Å; V75-A244 HydrophobicContact CB-CB 4.24Å; V75-A244 HydrophobicContact CG2-CB 4.18Å; V75-A244 PolarHBondContact N-O 3.15Å; V75-A244 PolarHBondContact O-N 3.25Å; V75-Y246 HydrophobicContact CG2-CE1 3.77Å; V75-F657 HydrophobicContact CB-CD2 4.34Å; V75-F657 HydrophobicContact CB-CE2 4.08Å; V75-F657 HydrophobicContact CG1-CD2 4.18Å; V75-F657 HydrophobicContact CG1-CE2 3.81Å; V75-F657 HydrophobicContact CG1-CZ 4.06Å; V75-F657 HydrophobicContact CG2-CD2 3.87Å; V75-F657 HydrophobicContact CG2-CE2 4.12Å
76	Y	91.1	Very high	78.5	Confident	27 Å²	27	56.4 Å²	56.4	11%	0.106	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	163.3	171.3	68.7	-87.5	0	0	0	110.9	R97 M123 V125 Y242	Y76-R97 VanDerWaalsContact CD1-CD 3.47Å; Y76-R97 VanDerWaalsContact CD2-CZ 3.43Å; Y76-R97 VanDerWaalsContact CE2-CZ 3.4Å; Y76-R97 VanDerWaalsContact CE2-NE 3.32Å; Y76-M123 HydrophobicContact CD1-CB 3.94Å; Y76-M123 HydrophobicContact CD2-CB 4.04Å; Y76-M123 HydrophobicContact CD2-CG 4.36Å; Y76-M123 HydrophobicContact CE1-CB 3.53Å; Y76-M123 HydrophobicContact CE1-CG 4.37Å; Y76-M123 HydrophobicContact CE2-CB 3.6Å; Y76-M123 HydrophobicContact CE2-CG 3.64Å; Y76-M123 HydrophobicContact CG-CB 4.19Å; Y76-M123 PolarHBondContact N-O 2.99Å; Y76-M123 VanDerWaalsContact N-O 3.11Å; Y76-M123 PolarHBondContact O-N 2.9Å; Y76-V125 HydrophobicContact CD1-CG2 4.12Å; Y76-V125 HydrophobicContact CE1-CG2 3.65Å; Y76-Y242 HydrophobicContact CD1-CD1 4.42Å; Y76-Y242 HydrophobicContact CD1-CE1 4.03Å
77	E	86.1	Confident	77.7	Confident	62 Å²	62	58.1 Å²	58.1	29%	0.29	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	141.2	167.6	-71.8	178	132.4	0	0	109.6	E79 K82 N121 L122 K243	E77-E79 PolarHBondContact O-N 2.87Å; E77-K82 IonicContact OE1-NZ 2.73Å; E77-K82 IonicContact OE2-NZ 3.13Å; E77-K82 PolarHBondContact OE2-NZ 3.29Å; E77-N121 CarbonylContact C-O 3.57Å; E77-N121 WeakPolarHBondContact CA-O 3.41Å; E77-L122 HydrophobicContact CG-CD2 3.92Å; E77-K243 HydrophobicContact CG-CD 3.88Å; E77-K243 VanDerWaalsContact CG-NZ 3.25Å; E77-K243 VanDerWaalsContact OE1-CE 3.28Å; E77-K243 WeakPolarHBondContact OE1-CE 3.47Å; E77-K243 IonicContact OE1-NZ 2.71Å; E77-K243 PolarHBondContact OE1-NZ 2.75Å; E77-K243 IonicContact OE2-NZ 2.74Å
78	D	75.1	Confident	77.1	Confident	45 Å²	45	58 Å²	58	24%	0.241	30%	0.299	C	S	.	.			trans	-59.1	138.9	166.2	-162.5	-2.4	0	0	0	110	D80 T81 N121	D78-D80 PolarHBondContact OD1-N 2.89Å; D78-D80 VanDerWaalsContact OD1-N 3.13Å; D78-T81 HydrophobicContact CB-CG2 4.36Å; D78-N121 PolarHBondContact N-O 3.39Å
79	E	68.6	Low	76.5	Confident	18 Å²	18	57.4 Å²	57.4	8%	0.084	31%	0.306	C	S	.	.	S	Bend	trans	-99.7	-20.1	-174.1	-72.7	155.7	148.2	0	0	111.3	E77 F90 H93 K94 R97	E77-E79 PolarHBondContact O-N 2.87Å; E79-F90 HydrophobicContact CB-CB 4.14Å; E79-F90 HydrophobicContact CG-CB 4.17Å; E79-F90 HydrophobicContact CG-CD1 4.02Å; E79-F90 HydrophobicContact CG-CG 4.43Å; E79-H93 VanDerWaalsContact OE1-C 3.27Å; E79-H93 WeakPolarHBondContact OE1-CB 3.27Å; E79-K94 WeakPolarHBondContact OE1-CA 3.3Å; E79-K94 PolarHBondContact OE1-N 3.38Å; E79-K94 VanDerWaalsContact OE2-CA 3.25Å; E79-K94 WeakPolarHBondContact OE2-CA 3.47Å; E79-K94 WeakPolarHBondContact OE2-CB 3.41Å; E79-K94 VanDerWaalsContact OE2-CG 3.26Å; E79-K94 WeakPolarHBondContact OE2-CG 3.15Å; E79-R97 IonicContact OE1-NH1 2.7Å; E79-R97 PolarHBondContact OE1-NH1 2.73Å; E79-R97 IonicContact OE2-CZ 3.2Å; E79-R97 IonicContact OE2-NH1 3.82Å; E79-R97 PolarHBondContact OE2-NH1 2.94Å; E79-R97 IonicContact OE2-NH2 2.68Å; E79-R97 PolarHBondContact OE2-NH2 3.19Å
80	D	65.7	Low	76	Confident	109 Å²	109	58.3 Å²	58.3	58%	0.583	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-18.9	-177.3	-66.7	-19.5	0	0	0	112.5	D78 K94	D78-D80 PolarHBondContact OD1-N 2.89Å; D78-D80 VanDerWaalsContact OD1-N 3.13Å; D80-K94 IonicContact OD1-NZ 3.98Å; D80-K94 PolarHBondContact OD1-NZ 3.14Å; D80-K94 IonicContact OD2-NZ 3.95Å; D80-K94 PolarHBondContact OD2-NZ 3.49Å
81	T	62.6	Low	75.5	Confident	71 Å²	71	64.6 Å²	64.6	44%	0.436	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	1.2	-179.1	61.5	0	0	0	0	114.9	D78 N121	D78-T81 HydrophobicContact CB-CG2 4.36Å; T81-N121 WeakPolarHBondContact CB-OD1 3.28Å; T81-N121 WeakPolarHBondContact CG2-OD1 3.24Å; T81-N121 PolarHBondContact OG1-OD1 2.76Å
82	K	59.9	Low	75	Confident	52 Å²	52	70.8 Å²	70.8	23%	0.226	36%	0.357	C	S	.	.	S	Bend	trans	-103.3	150.2	-170.4	-69.8	-171.1	-179.8	-174.9	0	114.7	E77 F90	E77-K82 IonicContact OE1-NZ 2.73Å; E77-K82 IonicContact OE2-NZ 3.13Å; E77-K82 PolarHBondContact OE2-NZ 3.29Å; K82-F90 HydrophobicContact CB-CD2 4.5Å; K82-F90 HydrophobicContact CB-CE2 4.37Å; K82-F90 HydrophobicContact CD-CD2 4.4Å; K82-F90 HydrophobicContact CD-CE1 4.29Å; K82-F90 HydrophobicContact CD-CE2 3.76Å; K82-F90 HydrophobicContact CD-CZ 3.71Å
83	P	58.4	Low	74.6	Confident	101 Å²	101	72.4 Å²	72.4	66%	0.656	36%	0.364	S	S	*	.			trans	-64.1	156.9	-174.5	24.5	-34.7	0	0	0	114.3	D85	P83-D85 PolarHBondContact O-N 3.31Å
84	F	55.9	Low	74.2	Confident	157 Å²	157	74.3 Å²	74.3	69%	0.689	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-59.7	-33.6	-161.4	-101.5	-103.7	0	0	0	115.8	K86 K87	F84-K86 PolarHBondContact O-N 2.99Å; F84-K86 VanDerWaalsContact O-N 3.13Å; F84-K87 HydrophobicContact CD1-CD 4.01Å; F84-K87 HydrophobicContact CE1-CD 4.2Å; F84-K87 HydrophobicContact CG-CD 4.27Å; F84-K87 VanDerWaalsContact CZ-NZ 3.33Å; F84-K87 WeakPolarHBondContact O-CB 3.39Å; F84-K87 PolarHBondContact O-N 3.02Å; F84-K87 VanDerWaalsContact O-N 3.11Å
85	D	57.2	Low	73.7	Confident	153 Å²	153	81.9 Å²	81.9	82%	0.818	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-64.9	-24.5	-169.1	-52.5	-44.1	0	0	0	114.1	P83	P83-D85 PolarHBondContact O-N 3.31Å
86	K	61.4	Low	73.5	Confident	139 Å²	139	83.4 Å²	83.4	60%	0.604	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-100.1	4.2	-179	-63.6	-177.4	-179.5	177.9	0	113.5	F84 S88 A89 F90	F84-K86 PolarHBondContact O-N 2.99Å; F84-K86 VanDerWaalsContact O-N 3.13Å; K86-S88 VanDerWaalsContact C-N 3.28Å; K86-S88 PolarHBondContact O-N 3.5Å; K86-A89 PolarHBondContact O-N 3.25Å; K86-A89 VanDerWaalsContact O-N 3.15Å; K86-F90 HydrophobicContact CB-CD2 3.67Å; K86-F90 HydrophobicContact CB-CE2 3.51Å; K86-F90 HydrophobicContact CD-CE2 4.17Å; K86-F90 HydrophobicContact CG-CE2 4.46Å; K86-F90 WeakPolarHBondContact O-CD2 3.38Å; K86-F90 PolarHBondContact O-N 3.43Å; K86-F90 VanDerWaalsContact O-N 3.07Å
87	K	65.8	Low	73.4	Confident	82 Å²	82	82.5 Å²	82.5	36%	0.357	41%	0.408	S	S	.	.	H	α-helix	trans	-65.4	-24.1	-168.7	-158	164.7	-164.2	160.7	0	113.9	F84 K91	F84-K87 HydrophobicContact CD1-CD 4.01Å; F84-K87 HydrophobicContact CE1-CD 4.2Å; F84-K87 HydrophobicContact CG-CD 4.27Å; F84-K87 VanDerWaalsContact CZ-NZ 3.33Å; F84-K87 WeakPolarHBondContact O-CB 3.39Å; F84-K87 PolarHBondContact O-N 3.02Å; F84-K87 VanDerWaalsContact O-N 3.11Å; K87-K91 WeakPolarHBondContact O-CB 3.35Å; K87-K91 WeakPolarHBondContact O-CG 3.48Å; K87-K91 PolarHBondContact O-N 2.81Å; K87-K91 VanDerWaalsContact O-N 3.11Å
88	S	71.8	Confident	73.4	Confident	97 Å²	97	81.5 Å²	81.5	68%	0.678	40%	0.403	S	S	*	.	H	α-helix	trans	-71.5	-43	173.7	57.5	0	0	0	0	112.7	K86 R92	K86-S88 VanDerWaalsContact C-N 3.28Å; K86-S88 PolarHBondContact O-N 3.5Å; S88-R92 PolarHBondContact O-N 3.33Å
89	A	75.1	Confident	74	Confident	46 Å²	46	81.1 Å²	81.1	38%	0.38	40%	0.399	S	S	.	.	H	α-helix	trans	-65.9	-52.8	174.3	0	0	0	0	0	110.2	K86 K91 R92 H93	K86-A89 PolarHBondContact O-N 3.25Å; K86-A89 VanDerWaalsContact O-N 3.15Å; A89-K91 VanDerWaalsContact C-N 3.34Å; A89-K91 PolarHBondContact O-N 2.68Å; A89-R92 WeakPolarHBondContact O-CA 3.26Å; A89-R92 VanDerWaalsContact O-CB 3.23Å; A89-R92 WeakPolarHBondContact O-CB 3.45Å; A89-R92 PolarHBondContact O-N 2.89Å; A89-H93 PolarHBondContact O-CD2 3.17Å; A89-H93 PolarHBondContact O-N 2.91Å
90	F	77.8	Confident	75	Confident	44 Å²	44	80.2 Å²	80.2	19%	0.193	40%	0.395	C	S	.	.	H	α-helix	trans	-60.2	-37.6	-178.5	-72.9	-58.1	0	0	0	113.2	E79 K82 K86 R92 H93 K94	E79-F90 HydrophobicContact CB-CB 4.14Å; E79-F90 HydrophobicContact CG-CB 4.17Å; E79-F90 HydrophobicContact CG-CD1 4.02Å; E79-F90 HydrophobicContact CG-CG 4.43Å; K82-F90 HydrophobicContact CB-CD2 4.5Å; K82-F90 HydrophobicContact CB-CE2 4.37Å; K82-F90 HydrophobicContact CD-CD2 4.4Å; K82-F90 HydrophobicContact CD-CE1 4.29Å; K82-F90 HydrophobicContact CD-CE2 3.76Å; K82-F90 HydrophobicContact CD-CZ 3.71Å; K86-F90 HydrophobicContact CB-CD2 3.67Å; K86-F90 HydrophobicContact CB-CE2 3.51Å; K86-F90 HydrophobicContact CD-CE2 4.17Å; K86-F90 HydrophobicContact CG-CE2 4.46Å; K86-F90 WeakPolarHBondContact O-CD2 3.38Å; K86-F90 PolarHBondContact O-N 3.43Å; K86-F90 VanDerWaalsContact O-N 3.07Å; F90-R92 PolarHBondContact O-N 3Å; F90-H93 PolarHBondContact O-N 2.85Å; F90-H93 VanDerWaalsContact O-N 3.1Å; F90-K94 WeakPolarHBondContact O-CB 3.35Å; F90-K94 PolarHBondContact O-N 3.17Å
91	K	82.3	Confident	76.2	Confident	142 Å²	142	75.5 Å²	75.5	62%	0.617	37%	0.369	S	S	*	.	H	α-helix	trans	-57.1	-30.5	169.1	-80.2	176.4	176	-172.8	0	113.9	K87 A89 K95	K87-K91 WeakPolarHBondContact O-CB 3.35Å; K87-K91 WeakPolarHBondContact O-CG 3.48Å; K87-K91 PolarHBondContact O-N 2.81Å; K87-K91 VanDerWaalsContact O-N 3.11Å; A89-K91 VanDerWaalsContact C-N 3.34Å; A89-K91 PolarHBondContact O-N 2.68Å; K91-K95 PolarHBondContact O-N 3.01Å; K91-K95 VanDerWaalsContact O-N 3.17Å
92	R	82.8	Confident	77.4	Confident	134 Å²	134	72.3 Å²	72.3	51%	0.506	35%	0.35	S	S	.	.	H	α-helix	trans	-79.6	-33	175.7	-169.2	-174.8	-175.3	179.7	5.9	112.6	S88 A89 F90 R96	S88-R92 PolarHBondContact O-N 3.33Å; A89-R92 WeakPolarHBondContact O-CA 3.26Å; A89-R92 VanDerWaalsContact O-CB 3.23Å; A89-R92 WeakPolarHBondContact O-CB 3.45Å; A89-R92 PolarHBondContact O-N 2.89Å; F90-R92 PolarHBondContact O-N 3Å; R92-R96 WeakPolarHBondContact O-CG 3.28Å; R92-R96 PolarHBondContact O-N 3.03Å
93	H	86.6	Confident	78.7	Confident	39 Å²	39	69.9 Å²	69.9	18%	0.181	34%	0.34	C	S	.	.	H	α-helix	trans	-65.6	-48	169.8	-66.6	-89.9	0	0	0	109.5	E79 A89 F90 K95 R96 R97 T239 V241	E79-H93 VanDerWaalsContact OE1-C 3.27Å; E79-H93 WeakPolarHBondContact OE1-CB 3.27Å; A89-H93 PolarHBondContact O-CD2 3.17Å; A89-H93 PolarHBondContact O-N 2.91Å; F90-H93 PolarHBondContact O-N 2.85Å; F90-H93 VanDerWaalsContact O-N 3.1Å; H93-K95 PolarHBondContact O-N 3.36Å; H93-R96 WeakPolarHBondContact O-CB 3.4Å; H93-R96 PolarHBondContact O-N 2.86Å; H93-R96 VanDerWaalsContact O-N 3.08Å; H93-R97 PolarHBondContact O-N 2.78Å; H93-T239 PolarHBondContact CE1-O 3.13Å; H93-T239 VanDerWaalsContact CE1-O 3.25Å; H93-V241 HydrophobicContact CB-CG2 4.29Å; H93-V241 WeakPolarHBondContact ND1-CG2 3.38Å
94	K	85.9	Confident	80.1	Confident	43 Å²	43	65 Å²	65	19%	0.187	31%	0.308	C	S	.	.	H	α-helix	trans	-51.2	-57.2	176	-160.9	165.6	-161.4	178.4	0	113	E79 D80 F90 R96 R97 E98	E79-K94 WeakPolarHBondContact OE1-CA 3.3Å; E79-K94 PolarHBondContact OE1-N 3.38Å; E79-K94 VanDerWaalsContact OE2-CA 3.25Å; E79-K94 WeakPolarHBondContact OE2-CA 3.47Å; E79-K94 WeakPolarHBondContact OE2-CB 3.41Å; E79-K94 VanDerWaalsContact OE2-CG 3.26Å; E79-K94 WeakPolarHBondContact OE2-CG 3.15Å; D80-K94 IonicContact OD1-NZ 3.98Å; D80-K94 PolarHBondContact OD1-NZ 3.14Å; D80-K94 IonicContact OD2-NZ 3.95Å; D80-K94 PolarHBondContact OD2-NZ 3.49Å; F90-K94 WeakPolarHBondContact O-CB 3.35Å; F90-K94 PolarHBondContact O-N 3.17Å; K94-R96 PolarHBondContact O-N 3Å; K94-R97 PolarHBondContact O-N 2.99Å; K94-R97 VanDerWaalsContact O-N 3.09Å; K94-E98 HydrophobicContact CG-CG 4.48Å; K94-E98 WeakPolarHBondContact O-CG 3.48Å; K94-E98 PolarHBondContact O-N 3.28Å
95	K	85.4	Confident	81.7	Confident	158 Å²	158	59.9 Å²	59.9	69%	0.687	29%	0.287	S	S	*	.	H	α-helix	trans	-60.9	-30	-179.9	-176.2	166.6	-177.5	169	0	113.3	K91 H93 Y99	K91-K95 PolarHBondContact O-N 3.01Å; K91-K95 VanDerWaalsContact O-N 3.17Å; H93-K95 PolarHBondContact O-N 3.36Å; K95-Y99 VanDerWaalsContact O-CB 3.28Å; K95-Y99 WeakPolarHBondContact O-CB 3.42Å; K95-Y99 PolarHBondContact O-N 2.99Å
96	R	87	Confident	83.1	Confident	33 Å²	33	57.8 Å²	57.8	13%	0.125	27%	0.271	C	S	.	.	H	α-helix	trans	-75.7	-39	174.9	-77.2	173.3	166.3	172.6	-6.5	112.3	R92 H93 K94 F100 Y222 E223	R92-R96 WeakPolarHBondContact O-CG 3.28Å; R92-R96 PolarHBondContact O-N 3.03Å; H93-R96 WeakPolarHBondContact O-CB 3.4Å; H93-R96 PolarHBondContact O-N 2.86Å; H93-R96 VanDerWaalsContact O-N 3.08Å; K94-R96 PolarHBondContact O-N 3Å; R96-F100 VanDerWaalsContact O-CB 3.29Å; R96-F100 WeakPolarHBondContact O-CB 3.43Å; R96-F100 PolarHBondContact O-N 3.05Å; R96-Y222 HydrophobicContact CB-CD2 4.46Å; R96-Y222 HydrophobicContact CG-CD2 4.16Å; R96-E223 IonicContact CZ-OE2 3.73Å; R96-E223 IonicContact NE-OE2 2.7Å; R96-E223 PolarHBondContact NE-OE2 3.27Å; R96-E223 IonicContact NH2-OE2 3.83Å; R96-E223 PolarHBondContact NH2-OE2 3.39Å
97	R	88.9	Confident	84.2	Confident	7 Å²	7	51.6 Å²	51.6	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-64.8	-53.1	175.2	-175.8	176.8	64.8	-93.3	-2.3	111.1	Y76 E79 H93 K94 Y99 F100 E101 V241 Y242	Y76-R97 VanDerWaalsContact CD1-CD 3.47Å; Y76-R97 VanDerWaalsContact CD2-CZ 3.43Å; Y76-R97 VanDerWaalsContact CE2-CZ 3.4Å; Y76-R97 VanDerWaalsContact CE2-NE 3.32Å; E79-R97 IonicContact OE1-NH1 2.7Å; E79-R97 PolarHBondContact OE1-NH1 2.73Å; E79-R97 IonicContact OE2-CZ 3.2Å; E79-R97 IonicContact OE2-NH1 3.82Å; E79-R97 PolarHBondContact OE2-NH1 2.94Å; E79-R97 IonicContact OE2-NH2 2.68Å; E79-R97 PolarHBondContact OE2-NH2 3.19Å; H93-R97 PolarHBondContact O-N 2.78Å; K94-R97 PolarHBondContact O-N 2.99Å; K94-R97 VanDerWaalsContact O-N 3.09Å; R97-Y99 VanDerWaalsContact C-N 3.26Å; R97-Y99 PolarHBondContact O-N 3.49Å; R97-F100 PolarHBondContact O-N 3.31Å; R97-E101 VanDerWaalsContact CD-OE1 3.27Å; R97-E101 WeakPolarHBondContact CD-OE1 3.25Å; R97-E101 HydrophobicContact CG-CG 4.3Å; R97-E101 WeakPolarHBondContact CG-OE1 3.46Å; R97-E101 IonicContact NE-OE1 2.75Å; R97-E101 WeakPolarHBondContact O-CG 3.32Å; R97-E101 PolarHBondContact O-N 2.96Å; R97-V241 HydrophobicContact CB-CG1 4Å; R97-Y242 HydrophobicContact CG-CE1 4.15Å; R97-Y242 HydrophobicContact CG-CE2 4.48Å; R97-Y242 WeakPolarHBondContact CG-OH 3.48Å
98	E	87.4	Confident	85.2	Confident	41 Å²	41	49.1 Å²	49.1	19%	0.192	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-36.8	179.7	-67.6	175.9	146.9	0	0	112.1	A46 K48 K94 G102	A46-E98 HydrophobicContact CB-CB 4.43Å; K48-E98 WeakPolarHBondContact CE-OE1 3.4Å; K48-E98 IonicContact NZ-OE1 3.68Å; K48-E98 PolarHBondContact NZ-OE1 3.29Å; K94-E98 HydrophobicContact CG-CG 4.48Å; K94-E98 WeakPolarHBondContact O-CG 3.48Å; K94-E98 PolarHBondContact O-N 3.28Å; E98-G102 PolarHBondContact O-N 3.26Å; E98-G102 VanDerWaalsContact O-N 3.12Å
99	Y	87.6	Confident	86.2	Confident	37 Å²	37	44.7 Å²	44.7	15%	0.145	21%	0.211	C	C	.	.	H	α-helix	trans	-70.3	-41.1	174.1	-172.5	-89.9	0	0	0	112.8	V44 K95 R97 C103 Y222 I224	V44-Y99 HydrophobicContact CB-CE2 4.07Å; V44-Y99 HydrophobicContact CG2-CE2 4.44Å; K95-Y99 VanDerWaalsContact O-CB 3.28Å; K95-Y99 WeakPolarHBondContact O-CB 3.42Å; K95-Y99 PolarHBondContact O-N 2.99Å; R97-Y99 VanDerWaalsContact C-N 3.26Å; R97-Y99 PolarHBondContact O-N 3.49Å; Y99-C103 VanDerWaalsContact CE1-SG 3.54Å; Y99-C103 PolarHBondContact O-N 3.5Å; Y99-C103 PolarHBondContact O-SG 3.19Å; Y99-Y222 VanDerWaalsContact CD1-C 3.5Å; Y99-Y222 WeakPolarHBondContact CD1-O 3.27Å; Y99-I224 HydrophobicContact CE1-CG1 4.41Å; Y99-I224 WeakPolarHBondContact OH-CD1 3.28Å; Y99-I224 WeakPolarHBondContact OH-CG1 3.32Å
100	F	89.3	Confident	87	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.2	-47	177.4	-177.3	-106.3	0	0	0	111.6	L74 R96 R97 G102 C103 L104 M217 A220 I233 L236 Y242	L74-F100 HydrophobicContact CD1-CE1 4.48Å; R96-F100 VanDerWaalsContact O-CB 3.29Å; R96-F100 WeakPolarHBondContact O-CB 3.43Å; R96-F100 PolarHBondContact O-N 3.05Å; R97-F100 PolarHBondContact O-N 3.31Å; F100-G102 PolarHBondContact O-N 2.88Å; F100-C103 CarbonylContact O-C 3.57Å; F100-C103 WeakPolarHBondContact O-CA 3.37Å; F100-C103 WeakPolarHBondContact O-CB 3.41Å; F100-C103 PolarHBondContact O-N 3.2Å; F100-L104 HydrophobicContact CD1-CD1 4.02Å; F100-L104 HydrophobicContact CD1-CG 4.33Å; F100-L104 HydrophobicContact CE1-CD1 3.69Å; F100-L104 HydrophobicContact CE1-CD2 4.35Å; F100-L104 HydrophobicContact CE1-CG 4.16Å; F100-L104 HydrophobicContact CZ-CD1 4.31Å; F100-L104 HydrophobicContact CZ-CD2 4.16Å; F100-L104 HydrophobicContact CZ-CG 4.43Å; F100-L104 WeakPolarHBondContact O-CG 3.45Å; F100-L104 PolarHBondContact O-N 3.42Å; F100-M217 HydrophobicContact CZ-CB 4.37Å; F100-A220 HydrophobicContact CD2-CB 4.19Å; F100-A220 HydrophobicContact CE2-CB 3.62Å; F100-A220 HydrophobicContact CZ-CB 4.25Å; F100-I233 HydrophobicContact CZ-CB 4.04Å; F100-I233 HydrophobicContact CZ-CG1 4.42Å; F100-L236 HydrophobicContact CB-CD1 4.13Å; F100-L236 HydrophobicContact CD1-CD1 3.77Å; F100-L236 HydrophobicContact CD2-CD1 3.68Å; F100-L236 HydrophobicContact CE1-CD1 3.99Å; F100-L236 HydrophobicContact CE2-CD1 3.89Å; F100-L236 HydrophobicContact CG-CD1 3.59Å; F100-L236 HydrophobicContact CZ-CD1 4.06Å; F100-Y242 AromaticContact CD1-CE2 3.78Å; F100-Y242 HydrophobicContact CD1-CE2 3.78Å; F100-Y242 AromaticContact CE1-CE2 3.99Å; F100-Y242 HydrophobicContact CE1-CE2 3.99Å
101	E	90.3	Very high	87.7	Confident	9 Å²	9	44.2 Å²	44.2	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-58.4	-45.8	174.9	-71.3	174.1	-168.3	0	0	111.7	R97 C103 L104 M105 L111 Y242	R97-E101 VanDerWaalsContact CD-OE1 3.27Å; R97-E101 WeakPolarHBondContact CD-OE1 3.25Å; R97-E101 HydrophobicContact CG-CG 4.3Å; R97-E101 WeakPolarHBondContact CG-OE1 3.46Å; R97-E101 IonicContact NE-OE1 2.75Å; R97-E101 WeakPolarHBondContact O-CG 3.32Å; R97-E101 PolarHBondContact O-N 2.96Å; E101-C103 VanDerWaalsContact C-N 3.27Å; E101-C103 PolarHBondContact O-N 2.9Å; E101-L104 PolarHBondContact O-N 2.85Å; E101-M105 HydrophobicContact CB-CE 4.24Å; E101-M105 PolarHBondContact O-N 2.81Å; E101-L111 HydrophobicContact CB-CD1 3.91Å; E101-L111 HydrophobicContact CG-CD1 4.08Å; E101-Y242 PolarHBondContact OE1-OH 3.39Å
102	G	88.1	Confident	88.3	Confident	5 Å²	5	37.9 Å²	37.9	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-61.4	-32.4	173.9	0	0	0	0	0	113.5	E98 F100 K106	E98-G102 PolarHBondContact O-N 3.26Å; E98-G102 VanDerWaalsContact O-N 3.12Å; F100-G102 PolarHBondContact O-N 2.88Å; G102-K106 WeakPolarHBondContact O-CB 3.46Å; G102-K106 PolarHBondContact O-N 3.38Å; G102-K106 VanDerWaalsContact O-N 3.08Å
103	C	87.3	Confident	88.7	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-73.5	-39.1	173.5	-68.9	0	0	0	0	112.6	I40 Y99 F100 E101 K106 M107 P221	I40-C103 HydrophobicContact CD1-CB 4.43Å; Y99-C103 VanDerWaalsContact CE1-SG 3.54Å; Y99-C103 PolarHBondContact O-N 3.5Å; Y99-C103 PolarHBondContact O-SG 3.19Å; F100-C103 CarbonylContact O-C 3.57Å; F100-C103 WeakPolarHBondContact O-CA 3.37Å; F100-C103 WeakPolarHBondContact O-CB 3.41Å; F100-C103 PolarHBondContact O-N 3.2Å; E101-C103 VanDerWaalsContact C-N 3.27Å; E101-C103 PolarHBondContact O-N 2.9Å; C103-K106 CarbonylContact O-C 3.57Å; C103-K106 PolarHBondContact O-N 3.15Å; C103-M107 WeakPolarHBondContact O-CG 3.35Å; C103-M107 PolarHBondContact O-N 2.91Å; C103-P221 HydrophobicContact CB-CG 4.23Å
104	L	89.3	Confident	88.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.1	-44.1	173.6	-65.1	-179.3	0	0	0	111.2	L74 F100 E101 K106 M107 G108 L109 L111 I216 M217 A220	L74-L104 HydrophobicContact CD1-CD1 4.39Å; F100-L104 HydrophobicContact CD1-CD1 4.02Å; F100-L104 HydrophobicContact CD1-CG 4.33Å; F100-L104 HydrophobicContact CE1-CD1 3.69Å; F100-L104 HydrophobicContact CE1-CD2 4.35Å; F100-L104 HydrophobicContact CE1-CG 4.16Å; F100-L104 HydrophobicContact CZ-CD1 4.31Å; F100-L104 HydrophobicContact CZ-CD2 4.16Å; F100-L104 HydrophobicContact CZ-CG 4.43Å; F100-L104 WeakPolarHBondContact O-CG 3.45Å; F100-L104 PolarHBondContact O-N 3.42Å; E101-L104 PolarHBondContact O-N 2.85Å; L104-K106 VanDerWaalsContact C-N 3.32Å; L104-K106 PolarHBondContact O-N 3.18Å; L104-M107 CarbonylContact O-C 3.6Å; L104-M107 WeakPolarHBondContact O-CA 3.19Å; L104-M107 WeakPolarHBondContact O-CB 3.36Å; L104-M107 PolarHBondContact O-N 3.5Å; L104-M107 VanDerWaalsContact O-N 3.13Å; L104-G108 PolarHBondContact O-N 3.1Å; L104-L109 HydrophobicContact CB-CB 4.36Å; L104-L109 HydrophobicContact CB-CD1 4.2Å; L104-L109 HydrophobicContact CD2-CD1 3.96Å; L104-L109 WeakPolarHBondContact O-CB 3.25Å; L104-L109 PolarHBondContact O-N 3.49Å; L104-L111 HydrophobicContact CB-CD1 4.23Å; L104-L111 HydrophobicContact CD1-CD1 4.33Å; L104-L111 HydrophobicContact CD1-CD2 4.49Å; L104-I216 HydrophobicContact CD2-CG2 4.46Å; L104-M217 HydrophobicContact CD1-CG 4.23Å; L104-M217 HydrophobicContact CD2-CG 3.81Å; L104-A220 HydrophobicContact CD2-CB 3.54Å
105	M	88.4	Confident	88.9	Confident	48 Å²	48	30.4 Å²	30.4	24%	0.236	15%	0.151	C	C	.	.	H	α-helix	trans	-62.8	-36.8	173.6	-73.1	-179.3	-117	0	0	112.8	K47 K48 A49 E101 M107 G108 L109 L111	K47-M105 HydrophobicContact CB-CE 4.43Å; K47-M105 HydrophobicContact CB-SD 3.97Å; K47-M105 VanDerWaalsContact O-CE 3.26Å; K47-M105 WeakPolarHBondContact O-CE 3.4Å; K48-M105 VanDerWaalsContact C-CE 3.46Å; A49-M105 HydrophobicContact CB-CE 4.44Å; E101-M105 HydrophobicContact CB-CE 4.24Å; E101-M105 PolarHBondContact O-N 2.81Å; M105-M107 VanDerWaalsContact C-N 3.29Å; M105-M107 PolarHBondContact O-N 3.01Å; M105-G108 PolarHBondContact O-N 3.04Å; M105-L109 WeakPolarHBondContact CA-O 3.48Å; M105-L111 HydrophobicContact CE-CD1 3.93Å; M105-L111 HydrophobicContact CG-CD1 4.2Å; M105-L111 HydrophobicContact CG-CG 4.31Å
106	K	86.2	Confident	88.9	Confident	109 Å²	109	23.6 Å²	23.6	47%	0.474	12%	0.123	S	C	.	.	H	α-helix	trans	-70.1	-25.1	174.3	-171.2	171.2	179.1	175.1	0	113	V44 G102 C103 L104 G108	V44-K106 HydrophobicContact CG2-CD 4.29Å; G102-K106 WeakPolarHBondContact O-CB 3.46Å; G102-K106 PolarHBondContact O-N 3.38Å; G102-K106 VanDerWaalsContact O-N 3.08Å; C103-K106 CarbonylContact O-C 3.57Å; C103-K106 PolarHBondContact O-N 3.15Å; L104-K106 VanDerWaalsContact C-N 3.32Å; L104-K106 PolarHBondContact O-N 3.18Å; K106-G108 PolarHBondContact O-N 3.2Å
107	M	84.6	Confident	88.6	Confident	9 Å²	9	23.1 Å²	23.1	4%	0.044	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	2.4	168.4	-70.5	174.1	152.9	0	0	113.1	I40 C103 L104 M105 I216 A220	I40-M107 HydrophobicContact CD1-CE 3.86Å; I40-M107 HydrophobicContact CD1-CG 4.12Å; I40-M107 HydrophobicContact CD1-SD 4.47Å; C103-M107 WeakPolarHBondContact O-CG 3.35Å; C103-M107 PolarHBondContact O-N 2.91Å; L104-M107 CarbonylContact O-C 3.6Å; L104-M107 WeakPolarHBondContact O-CA 3.19Å; L104-M107 WeakPolarHBondContact O-CB 3.36Å; L104-M107 PolarHBondContact O-N 3.5Å; L104-M107 VanDerWaalsContact O-N 3.13Å; M105-M107 VanDerWaalsContact C-N 3.29Å; M105-M107 PolarHBondContact O-N 3.01Å; M107-I216 HydrophobicContact CB-CG2 4.17Å; M107-I216 HydrophobicContact SD-CG2 3.78Å; M107-A220 HydrophobicContact CE-CB 4.41Å; M107-A220 HydrophobicContact SD-CB 3.78Å
108	G	87.8	Confident	87.6	Confident	31 Å²	31	25.8 Å²	25.8	32%	0.32	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	7	175.6	0	0	0	0	0	115.5	L104 M105 K106 P130 V133	L104-G108 PolarHBondContact O-N 3.1Å; M105-G108 PolarHBondContact O-N 3.04Å; K106-G108 PolarHBondContact O-N 3.2Å; G108-P130 WeakPolarHBondContact O-CD 3.41Å; G108-P130 VanDerWaalsContact O-CG 3.32Å; G108-P130 WeakPolarHBondContact O-CG 3.44Å; G108-V133 WeakPolarHBondContact O-CG2 3.49Å
109	L	91.4	Very high	86.5	Confident	4 Å²	4	24.8 Å²	24.8	2%	0.021	14%	0.138	C	C	.	.			trans	-79.4	143.1	175	-66.5	176	0	0	0	111.7	L104 M105 V127 V129 V133 I216	L104-L109 HydrophobicContact CB-CB 4.36Å; L104-L109 HydrophobicContact CB-CD1 4.2Å; L104-L109 HydrophobicContact CD2-CD1 3.96Å; L104-L109 WeakPolarHBondContact O-CB 3.25Å; L104-L109 PolarHBondContact O-N 3.49Å; M105-L109 WeakPolarHBondContact CA-O 3.48Å; L109-V127 HydrophobicContact CD1-CG1 4.26Å; L109-V129 HydrophobicContact CD2-CB 4.14Å; L109-V129 HydrophobicContact CD2-CG1 4.12Å; L109-V129 HydrophobicContact CD2-CG2 3.81Å; L109-V133 HydrophobicContact CD2-CG1 4.46Å; L109-I216 HydrophobicContact CD1-CB 4.18Å; L109-I216 HydrophobicContact CD1-CD1 4.37Å; L109-I216 HydrophobicContact CD1-CG2 3.67Å; L109-I216 HydrophobicContact CD2-CD1 3.92Å; L109-I216 HydrophobicContact CG-CD1 4.32Å; L109-I216 HydrophobicContact CG-CG2 4.32Å
110	E	92.6	Very high	85.4	Confident	70 Å²	70	28.9 Å²	28.9	33%	0.327	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.8	177.7	-70.5	-178.1	-140.8	0	0	111.1	R68 H128 P130	R68-E110 WeakPolarHBondContact CD-OE2 3.4Å; R68-E110 IonicContact CZ-OE2 2.74Å; R68-E110 IonicContact NE-OE2 2.76Å; R68-E110 IonicContact NH1-OE2 2.68Å; R68-E110 PolarHBondContact NH1-OE2 3.36Å; E110-H128 HydrophobicContact CB-CB 4.25Å; E110-H128 PolarHBondContact N-O 3.1Å; E110-H128 PolarHBondContact O-N 3.38Å; E110-P130 HydrophobicContact CG-CG 3.79Å; E110-P130 VanDerWaalsContact OE1-CG 3.25Å; E110-P130 WeakPolarHBondContact OE1-CG 3.41Å
111	L	93.3	Very high	84.9	Confident	10 Å²	10	32.3 Å²	32.3	5%	0.052	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.5	-172.4	-57.8	-176.8	0	0	0	111.7	A49 N50 E101 L104 M105 V125 K126 V127	A49-L111 HydrophobicContact CB-CB 3.77Å; N50-L111 PolarHBondContact N-O 3.28Å; E101-L111 HydrophobicContact CB-CD1 3.91Å; E101-L111 HydrophobicContact CG-CD1 4.08Å; L104-L111 HydrophobicContact CB-CD1 4.23Å; L104-L111 HydrophobicContact CD1-CD1 4.33Å; L104-L111 HydrophobicContact CD1-CD2 4.49Å; M105-L111 HydrophobicContact CE-CD1 3.93Å; M105-L111 HydrophobicContact CG-CD1 4.2Å; M105-L111 HydrophobicContact CG-CG 4.31Å; L111-V125 HydrophobicContact CB-CG1 4.01Å; L111-V125 HydrophobicContact CD2-CG1 4.18Å; L111-V125 HydrophobicContact CG-CG1 4.49Å; L111-K126 WeakPolarHBondContact CA-O 3.06Å; L111-V127 HydrophobicContact CD2-CB 4.15Å; L111-V127 HydrophobicContact CD2-CG1 3.95Å; L111-V127 HydrophobicContact CD2-CG2 3.8Å
112	E	93.3	Very high	84.8	Confident	9 Å²	9	33.4 Å²	33.4	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.7	173.5	178.4	177.1	107.1	0	0	109.2	V52 F63 N64 R68 V125 K126	V52-E112 HydrophobicContact CB-CG 4.49Å; V52-E112 HydrophobicContact CG2-CG 3.93Å; F63-E112 HydrophobicContact CD2-CB 3.41Å; F63-E112 VanDerWaalsContact CD2-CB 3.41Å; F63-E112 HydrophobicContact CD2-CG 4.17Å; F63-E112 WeakPolarHBondContact CD2-OE2 3.05Å; F63-E112 HydrophobicContact CE2-CB 3.33Å; F63-E112 HydrophobicContact CG-CB 4.33Å; F63-E112 HydrophobicContact CZ-CB 4.18Å; N64-E112 PolarHBondContact N-OE1 3.25Å; N64-E112 PolarHBondContact N-OE2 3.23Å; N64-E112 PolarHBondContact OD1-OE1 3.2Å; R68-E112 IonicContact NH2-OE2 3.14Å; E112-V125 CarbonylContact O-C 3.5Å; E112-V125 WeakPolarHBondContact O-CA 3.35Å; E112-K126 HydrophobicContact CB-CB 4.37Å; E112-K126 HydrophobicContact CB-CD 4.4Å; E112-K126 HydrophobicContact CG-CD 4.38Å; E112-K126 PolarHBondContact N-O 3.06Å; E112-K126 VanDerWaalsContact N-O 3.13Å; E112-K126 PolarHBondContact O-N 2.86Å; E112-K126 WeakPolarHBondContact OE1-CD 3.28Å; E112-K126 WeakPolarHBondContact OE1-CE 3.43Å; E112-K126 IonicContact OE1-NZ 3.52Å; E112-K126 PolarHBondContact OE1-NZ 2.74Å
113	A	91.4	Very high	84.9	Confident	5 Å²	5	34.1 Å²	34.1	4%	0.041	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.7	180	0	0	0	0	0	110.4	A49 N50 L51 V52 Y124 V125	A49-A113 HydrophobicContact CB-CB 4.09Å; N50-A113 PolarHBondContact O-N 2.88Å; L51-A113 WeakPolarHBondContact CA-O 3.28Å; L51-A113 HydrophobicContact CD1-CB 4.36Å; V52-A113 PolarHBondContact N-O 2.9Å; A113-Y124 WeakPolarHBondContact CA-O 3.16Å; A113-V125 HydrophobicContact CB-CG2 4.35Å
114	T	89.9	Confident	85.1	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136	175.6	52.8	0	0	0	0	110.1	Y124	T114-Y124 PolarHBondContact N-O 2.8Å; T114-Y124 PolarHBondContact O-N 3.15Å; T114-Y124 PolarHBondContact OG1-O 3.25Å
115	P	88.4	Confident	85.3	Confident	53 Å²	53	34.5 Å²	34.5	34%	0.344	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	151.5	171.6	31.6	-33.7	0	0	0	110.8	V52 M123	V52-P115 WeakPolarHBondContact O-CD 3.25Å; P115-M123 HydrophobicContact CB-CE 4.17Å; P115-M123 HydrophobicContact CB-SD 3.94Å
116	S	85.4	Confident	85.6	Confident	15 Å²	15	32.2 Å²	32.2	11%	0.105	18%	0.179	C	C	.	.			trans	-66.2	132.5	175.2	175.5	0	0	0	0	112.3	G119 L122 E654	S116-G119 WeakPolarHBondContact CB-O 3.47Å; S116-G119 PolarHBondContact OG-N 3.03Å; S116-G119 VanDerWaalsContact OG-N 3.1Å; S116-G119 PolarHBondContact OG-O 2.67Å; S116-L122 WeakPolarHBondContact CB-O 3.37Å; S116-L122 PolarHBondContact N-O 2.82Å; S116-E654 WeakPolarHBondContact CA-OE1 3.37Å
117	V	78.9	Confident	86	Confident	23 Å²	23	27 Å²	27	14%	0.139	16%	0.156	C	C	.	.	S	Bend	trans	-69.7	-42.9	175.3	-176.6	0	0	0	0	110.4	Y54 K646 V648 E654	Y54-V117 HydrophobicContact CD1-CG2 3.38Å; Y54-V117 HydrophobicContact CE1-CG2 3.83Å; Y54-V117 HydrophobicContact CG-CG2 4.08Å; V117-K646 VanDerWaalsContact O-CD 3.25Å; V117-K646 WeakPolarHBondContact O-CD 3.37Å; V117-K646 WeakPolarHBondContact O-CE 3.34Å; V117-K646 PolarHBondContact O-NZ 3.37Å; V117-V648 HydrophobicContact CG1-CB 4.19Å; V117-V648 HydrophobicContact CG1-CG1 4.28Å; V117-E654 PolarHBondContact N-OE1 3.44Å
118	H	68.6	Low	86.5	Confident	63 Å²	63	27.6 Å²	27.6	29%	0.292	16%	0.159	S	C	.	.	S	Bend	trans	-91.9	-20.6	-169.3	-73.1	85.1	0	0	0	115.5	E654	H118-E654 IonicContact CE1-OE2 3.65Å; H118-E654 IonicContact CG-OE2 2.71Å; H118-E654 IonicContact ND1-OE2 3.19Å; H118-E654 PolarHBondContact ND1-OE2 3.09Å
119	G	64.2	Low	86.8	Confident	21 Å²	21	26.1 Å²	26.1	22%	0.216	14%	0.144	C	C	.	.			trans	-146.7	109.7	-172.9	0	0	0	0	0	112.6	S116 N121 L122	S116-G119 WeakPolarHBondContact CB-O 3.47Å; S116-G119 PolarHBondContact OG-N 3.03Å; S116-G119 VanDerWaalsContact OG-N 3.1Å; S116-G119 PolarHBondContact OG-O 2.67Å; G119-N121 PolarHBondContact O-N 3.28Å; G119-L122 PolarHBondContact O-N 2.65Å; G119-L122 VanDerWaalsContact O-N 3.13Å
120	D	63.9	Low	86.8	Confident	122 Å²	122	26.9 Å²	26.9	65%	0.652	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	7.1	-163	-38.8	-48	0	0	0	115.5	K646	D120-K646 IonicContact OD1-NZ 2.73Å; D120-K646 PolarHBondContact OD1-NZ 3.48Å
121	N	79.9	Confident	86.7	Confident	73 Å²	73	25.9 Å²	25.9	39%	0.39	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	8	-179	-72.3	-36.5	0	0	0	113.7	E77 D78 T81 G119	E77-N121 CarbonylContact C-O 3.57Å; E77-N121 WeakPolarHBondContact CA-O 3.41Å; D78-N121 PolarHBondContact N-O 3.39Å; T81-N121 WeakPolarHBondContact CB-OD1 3.28Å; T81-N121 WeakPolarHBondContact CG2-OD1 3.24Å; T81-N121 PolarHBondContact OG1-OD1 2.76Å; G119-N121 PolarHBondContact O-N 3.28Å
122	L	88	Confident	86.5	Confident	31 Å²	31	29.2 Å²	29.2	16%	0.162	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.3	-177.5	-76.9	173.5	0	0	0	112.3	V75 E77 S116 G119 Y124 K243 F657	V75-L122 HydrophobicContact CG1-CD2 4.18Å; E77-L122 HydrophobicContact CG-CD2 3.92Å; S116-L122 WeakPolarHBondContact CB-O 3.37Å; S116-L122 PolarHBondContact N-O 2.82Å; G119-L122 PolarHBondContact O-N 2.65Å; G119-L122 VanDerWaalsContact O-N 3.13Å; L122-Y124 HydrophobicContact CB-CE2 4.44Å; L122-K243 HydrophobicContact CD2-CD 4.04Å; L122-F657 HydrophobicContact CD1-CE1 3.93Å
123	M	89.7	Confident	86.4	Confident	20 Å²	20	29.7 Å²	29.7	10%	0.099	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.7	177.8	-64.2	-57.1	-56.2	0	0	110.5	L51 V75 Y76 P115	L51-M123 HydrophobicContact CD1-CE 3.57Å; V75-M123 WeakPolarHBondContact CA-O 3.36Å; Y76-M123 HydrophobicContact CD1-CB 3.94Å; Y76-M123 HydrophobicContact CD2-CB 4.04Å; Y76-M123 HydrophobicContact CD2-CG 4.36Å; Y76-M123 HydrophobicContact CE1-CB 3.53Å; Y76-M123 HydrophobicContact CE1-CG 4.37Å; Y76-M123 HydrophobicContact CE2-CB 3.6Å; Y76-M123 HydrophobicContact CE2-CG 3.64Å; Y76-M123 HydrophobicContact CG-CB 4.19Å; Y76-M123 PolarHBondContact N-O 2.99Å; Y76-M123 VanDerWaalsContact N-O 3.11Å; Y76-M123 PolarHBondContact O-N 2.9Å; P115-M123 HydrophobicContact CB-CE 4.17Å; P115-M123 HydrophobicContact CB-SD 3.94Å
124	Y	92	Very high	86.4	Confident	7 Å²	7	29.8 Å²	29.8	3%	0.027	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.3	179	-63.2	-82.3	0	0	0	109.9	I73 V75 A113 T114 L122 W653 E654 F657	I73-Y124 HydrophobicContact CG2-CD1 4.23Å; V75-Y124 HydrophobicContact CB-CD1 4.41Å; V75-Y124 HydrophobicContact CB-CE1 4.42Å; V75-Y124 HydrophobicContact CG1-CD1 4.04Å; V75-Y124 HydrophobicContact CG1-CE1 3.76Å; V75-Y124 HydrophobicContact CG2-CD1 3.69Å; V75-Y124 HydrophobicContact CG2-CE1 3.77Å; A113-Y124 WeakPolarHBondContact CA-O 3.16Å; T114-Y124 PolarHBondContact N-O 2.8Å; T114-Y124 PolarHBondContact O-N 3.15Å; T114-Y124 PolarHBondContact OG1-O 3.25Å; L122-Y124 HydrophobicContact CB-CE2 4.44Å; Y124-W653 HydrophobicContact CD1-CB 4.43Å; Y124-W653 AromaticContact CD1-CD1 3.72Å; Y124-W653 HydrophobicContact CD1-CG 4.43Å; Y124-W653 AromaticContact CD2-CD1 3.7Å; Y124-W653 AromaticContact CG-CD1 3.39Å; Y124-W653 HydrophobicContact CG-CG 4.37Å; Y124-W653 AromaticContact CG-NE1 3.97Å; Y124-E654 HydrophobicContact CD2-CG 4.27Å; Y124-E654 HydrophobicContact CE1-CG 4.48Å; Y124-E654 HydrophobicContact CE2-CG 3.45Å; Y124-E654 VanDerWaalsContact CE2-CG 3.45Å; Y124-F657 HydrophobicContact CE1-CB 4.03Å; Y124-F657 HydrophobicContact CE1-CD1 4.44Å; Y124-F657 HydrophobicContact CE1-CG 4.1Å; Y124-F657 WeakPolarHBondContact OH-CD1 3.29Å
125	V	93.8	Very high	86.3	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114.7	173.5	-168.6	0	0	0	0	108.8	A49 I73 L74 Y76 L111 E112 A113	A49-V125 HydrophobicContact CB-CG1 4.32Å; I73-V125 WeakPolarHBondContact CA-O 3.16Å; L74-V125 HydrophobicContact CB-CB 4.24Å; L74-V125 PolarHBondContact N-O 2.96Å; L74-V125 PolarHBondContact O-N 2.75Å; Y76-V125 HydrophobicContact CD1-CG2 4.12Å; Y76-V125 HydrophobicContact CE1-CG2 3.65Å; L111-V125 HydrophobicContact CB-CG1 4.01Å; L111-V125 HydrophobicContact CD2-CG1 4.18Å; L111-V125 HydrophobicContact CG-CG1 4.49Å; E112-V125 CarbonylContact O-C 3.5Å; E112-V125 WeakPolarHBondContact O-CA 3.35Å; A113-V125 HydrophobicContact CB-CG2 4.35Å
126	K	94.6	Very high	86.3	Confident	1 Å²	1	31.2 Å²	31.2	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	134.6	169.6	-51.8	176.3	-169.7	176.9	0	108.5	F63 N64 V70 L111 E112 W653	F63-K126 HydrophobicContact CD1-CB 4.18Å; F63-K126 HydrophobicContact CD1-CD 4.23Å; F63-K126 HydrophobicContact CE1-CB 3.62Å; F63-K126 HydrophobicContact CE2-CB 4.45Å; F63-K126 HydrophobicContact CG-CD 4.42Å; F63-K126 HydrophobicContact CZ-CB 3.78Å; N64-K126 PolarHBondContact OD1-NZ 3.42Å; V70-K126 HydrophobicContact CG1-CB 4.14Å; V70-K126 HydrophobicContact CG2-CB 4.1Å; V70-K126 HydrophobicContact CG2-CD 3.98Å; V70-K126 HydrophobicContact CG2-CG 4.18Å; L111-K126 WeakPolarHBondContact CA-O 3.06Å; E112-K126 HydrophobicContact CB-CB 4.37Å; E112-K126 HydrophobicContact CB-CD 4.4Å; E112-K126 HydrophobicContact CG-CD 4.38Å; E112-K126 PolarHBondContact N-O 3.06Å; E112-K126 VanDerWaalsContact N-O 3.13Å; E112-K126 PolarHBondContact O-N 2.86Å; E112-K126 WeakPolarHBondContact OE1-CD 3.28Å; E112-K126 WeakPolarHBondContact OE1-CE 3.43Å; E112-K126 IonicContact OE1-NZ 3.52Å; E112-K126 PolarHBondContact OE1-NZ 2.74Å; K126-W653 HydrophobicContact CD-CZ3 4.44Å
127	V	95.1	Very high	86.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.8	176.4	-170.9	0	0	0	0	109	D71 F72 L74 L109 L111 M217	D71-V127 PolarHBondContact N-O 3.45Å; F72-V127 HydrophobicContact CB-CB 3.85Å; F72-V127 HydrophobicContact CB-CG2 4.09Å; F72-V127 PolarHBondContact N-O 3.37Å; F72-V127 PolarHBondContact O-N 2.95Å; L74-V127 HydrophobicContact CD1-CG2 4.36Å; L74-V127 HydrophobicContact CG-CG2 4.05Å; L109-V127 HydrophobicContact CD1-CG1 4.26Å; L111-V127 HydrophobicContact CD2-CB 4.15Å; L111-V127 HydrophobicContact CD2-CG1 3.95Å; L111-V127 HydrophobicContact CD2-CG2 3.8Å; V127-M217 HydrophobicContact CG2-SD 4.47Å
128	H	94.4	Very high	86.6	Confident	20 Å²	20	30.3 Å²	30.3	9%	0.093	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.9	171.8	176.6	68	0	0	0	110	F63 S69 D71 E110 P130 R209	F63-H128 HydrophobicContact CD1-CB 4.45Å; F63-H128 HydrophobicContact CE1-CB 3.59Å; F63-H128 HydrophobicContact CE2-CB 4.36Å; F63-H128 HydrophobicContact CZ-CB 3.53Å; S69-H128 PolarHBondContact O-ND1 3.34Å; D71-H128 IonicContact OD2-ND1 3.68Å; E110-H128 HydrophobicContact CB-CB 4.25Å; E110-H128 PolarHBondContact N-O 3.1Å; E110-H128 PolarHBondContact O-N 3.38Å; H128-P130 WeakPolarHBondContact O-CD 3.42Å; H128-R209 PolarHBondContact CE1-NH2 3.01Å; H128-R209 VanDerWaalsContact CE1-NH2 3.29Å; H128-R209 PolarHBondContact ND1-NH2 3.05Å
129	V	93.4	Very high	87.4	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.			trans	-100.2	107.8	171.8	-168.8	0	0	0	0	108.3	D71 L109 V133 Q134 A213	D71-V129 HydrophobicContact CB-CG2 4.17Å; D71-V129 PolarHBondContact OD2-N 2.8Å; L109-V129 HydrophobicContact CD2-CB 4.14Å; L109-V129 HydrophobicContact CD2-CG1 4.12Å; L109-V129 HydrophobicContact CD2-CG2 3.81Å; V129-V133 HydrophobicContact CG1-CB 3.89Å; V129-V133 HydrophobicContact CG1-CG1 3.67Å; V129-Q134 HydrophobicContact CB-CG 4.1Å; V129-Q134 HydrophobicContact CG1-CG 3.73Å; V129-Q134 WeakPolarHBondContact O-CG 3.28Å; V129-Q134 PolarHBondContact O-NE2 2.92Å; V129-A213 HydrophobicContact CG2-CB 3.74Å
130	P	93.1	Very high	88.2	Confident	21 Å²	21	30.6 Å²	30.6	14%	0.136	15%	0.152	C	C	.	.			trans	-67.2	154.6	-179.9	-23.2	36.3	0	0	0	112.6	G108 E110 H128 E132 V133 Q134	G108-P130 WeakPolarHBondContact O-CD 3.41Å; G108-P130 VanDerWaalsContact O-CG 3.32Å; G108-P130 WeakPolarHBondContact O-CG 3.44Å; E110-P130 HydrophobicContact CG-CG 3.79Å; E110-P130 VanDerWaalsContact OE1-CG 3.25Å; E110-P130 WeakPolarHBondContact OE1-CG 3.41Å; H128-P130 WeakPolarHBondContact O-CD 3.42Å; P130-E132 VanDerWaalsContact C-N 3.26Å; P130-E132 PolarHBondContact O-N 2.89Å; P130-E132 VanDerWaalsContact O-N 3.09Å; P130-V133 CarbonylContact O-C 3.6Å; P130-V133 WeakPolarHBondContact O-CA 3.42Å; P130-V133 WeakPolarHBondContact O-CB 3.24Å; P130-V133 PolarHBondContact O-N 3.02Å; P130-Q134 PolarHBondContact O-N 3.46Å
131	W	90.3	Very high	88.9	Confident	49 Å²	49	26.9 Å²	26.9	19%	0.186	13%	0.132	C	C	.	.	H	α-helix	trans	-48.9	-40.4	-175.7	175.9	-109.1	0	0	0	114.6	V133 Q134 R135 H192 K200 F203 F204	W131-V133 VanDerWaalsContact C-N 3.35Å; W131-V133 PolarHBondContact O-N 3.24Å; W131-Q134 WeakPolarHBondContact O-CB 3.42Å; W131-Q134 PolarHBondContact O-N 2.98Å; W131-R135 HydrophobicContact CD2-CG 4.28Å; W131-R135 HydrophobicContact CZ2-CG 4.1Å; W131-R135 WeakPolarHBondContact O-CG 3.43Å; W131-R135 PolarHBondContact O-N 3.47Å; W131-H192 AromaticContact CZ2-CE1 3.65Å; W131-K200 HydrophobicContact CE3-CB 4.27Å; W131-K200 HydrophobicContact CZ3-CB 4.32Å; W131-K200 WeakPolarHBondContact CZ3-O 3.39Å; W131-F203 HydrophobicContact CH2-CB 4.1Å; W131-F203 AromaticContact CH2-CD1 3.57Å; W131-F203 HydrophobicContact CH2-CD1 3.57Å; W131-F203 HydrophobicContact CH2-CE1 4.09Å; W131-F203 AromaticContact CH2-CG 3.89Å; W131-F203 HydrophobicContact CH2-CG 3.89Å; W131-F203 HydrophobicContact CZ3-CB 4.11Å; W131-F203 AromaticContact CZ3-CD1 3.89Å; W131-F203 HydrophobicContact CZ3-CD1 3.89Å; W131-F203 HydrophobicContact CZ3-CG 4.27Å; W131-F204 HydrophobicContact CE3-CD2 4.22Å; W131-F204 HydrophobicContact CE3-CE2 4.3Å; W131-F204 HydrophobicContact CH2-CD2 4.48Å; W131-F204 HydrophobicContact CH2-CE2 4.21Å; W131-F204 AromaticContact CZ3-CD2 3.67Å; W131-F204 HydrophobicContact CZ3-CD2 3.67Å; W131-F204 AromaticContact CZ3-CE2 3.75Å; W131-F204 HydrophobicContact CZ3-CE2 3.75Å
132	E	89.1	Confident	88.8	Confident	80 Å²	80	28.2 Å²	28.2	37%	0.374	14%	0.136	S	C	.	.	H	α-helix	trans	-69.2	-34	179.6	-170.1	59.3	-167.4	0	0	113	P130 R135 T136 K189	P130-E132 VanDerWaalsContact C-N 3.26Å; P130-E132 PolarHBondContact O-N 2.89Å; P130-E132 VanDerWaalsContact O-N 3.09Å; E132-R135 IonicContact OE2-CZ 3.52Å; E132-R135 VanDerWaalsContact OE2-CZ 3.28Å; E132-R135 IonicContact OE2-NE 3.42Å; E132-R135 PolarHBondContact OE2-NE 3.4Å; E132-R135 VanDerWaalsContact OE2-NE 3.09Å; E132-R135 IonicContact OE2-NH2 3.2Å; E132-R135 PolarHBondContact OE2-NH2 3.35Å; E132-T136 WeakPolarHBondContact O-CB 3.44Å; E132-T136 PolarHBondContact O-N 2.93Å; E132-T136 VanDerWaalsContact O-N 3.09Å; E132-T136 PolarHBondContact O-OG1 2.74Å; E132-K189 WeakPolarHBondContact OE1-CE 3.47Å; E132-K189 IonicContact OE1-NZ 3.28Å; E132-K189 PolarHBondContact OE1-NZ 2.94Å
133	V	90.6	Very high	88.5	Confident	18 Å²	18	26.9 Å²	26.9	11%	0.109	13%	0.129	C	C	.	.	H	α-helix	trans	-71.3	-41.2	172.9	-176.3	0	0	0	0	109.7	G108 L109 V129 P130 W131 R135 T136 Y137 I216	G108-V133 WeakPolarHBondContact O-CG2 3.49Å; L109-V133 HydrophobicContact CD2-CG1 4.46Å; V129-V133 HydrophobicContact CG1-CB 3.89Å; V129-V133 HydrophobicContact CG1-CG1 3.67Å; P130-V133 CarbonylContact O-C 3.6Å; P130-V133 WeakPolarHBondContact O-CA 3.42Å; P130-V133 WeakPolarHBondContact O-CB 3.24Å; P130-V133 PolarHBondContact O-N 3.02Å; W131-V133 VanDerWaalsContact C-N 3.35Å; W131-V133 PolarHBondContact O-N 3.24Å; V133-R135 PolarHBondContact O-N 2.99Å; V133-T136 PolarHBondContact O-N 2.65Å; V133-Y137 HydrophobicContact CG1-CD2 3.55Å; V133-Y137 HydrophobicContact CG1-CE2 3.78Å; V133-Y137 WeakPolarHBondContact O-CD2 3.47Å; V133-Y137 PolarHBondContact O-N 3.02Å; V133-I216 HydrophobicContact CG1-CD1 3.87Å
134	Q	91	Very high	88.1	Confident	7 Å²	7	26.7 Å²	26.7	3%	0.033	13%	0.127	C	C	.	.	H	α-helix	trans	-57.4	-49.9	173.5	-62.1	175.4	21.2	0	0	111.4	V129 P130 W131 T136 Y137 A138 F204 M212	V129-Q134 HydrophobicContact CB-CG 4.1Å; V129-Q134 HydrophobicContact CG1-CG 3.73Å; V129-Q134 WeakPolarHBondContact O-CG 3.28Å; V129-Q134 PolarHBondContact O-NE2 2.92Å; P130-Q134 PolarHBondContact O-N 3.46Å; W131-Q134 WeakPolarHBondContact O-CB 3.42Å; W131-Q134 PolarHBondContact O-N 2.98Å; Q134-T136 PolarHBondContact O-N 2.9Å; Q134-Y137 PolarHBondContact O-N 3.2Å; Q134-A138 WeakPolarHBondContact O-CB 3.5Å; Q134-A138 PolarHBondContact O-N 3.11Å; Q134-F204 HydrophobicContact CB-CD2 3.86Å; Q134-F204 HydrophobicContact CB-CE2 3.85Å; Q134-F204 VanDerWaalsContact OE1-CD2 3.22Å; Q134-M212 HydrophobicContact CB-CE 4.33Å; Q134-M212 HydrophobicContact CB-SD 4Å; Q134-M212 HydrophobicContact CG-SD 4.12Å; Q134-M212 WeakPolarHBondContact O-CE 3.41Å
135	R	88.9	Confident	87.7	Confident	60 Å²	60	26.6 Å²	26.6	23%	0.226	13%	0.127	C	C	.	.	H	α-helix	trans	-58.1	-45.4	177.1	-70.8	-162.2	-68.9	-168.5	1.6	112.2	W131 E132 V133 E139 Y187	W131-R135 HydrophobicContact CD2-CG 4.28Å; W131-R135 HydrophobicContact CZ2-CG 4.1Å; W131-R135 WeakPolarHBondContact O-CG 3.43Å; W131-R135 PolarHBondContact O-N 3.47Å; E132-R135 IonicContact OE2-CZ 3.52Å; E132-R135 VanDerWaalsContact OE2-CZ 3.28Å; E132-R135 IonicContact OE2-NE 3.42Å; E132-R135 PolarHBondContact OE2-NE 3.4Å; E132-R135 VanDerWaalsContact OE2-NE 3.09Å; E132-R135 IonicContact OE2-NH2 3.2Å; E132-R135 PolarHBondContact OE2-NH2 3.35Å; V133-R135 PolarHBondContact O-N 2.99Å; R135-E139 PolarHBondContact O-N 3.35Å; R135-Y187 HydrophobicContact CB-CE1 4.11Å; R135-Y187 VanDerWaalsContact CD-OH 3.28Å; R135-Y187 WeakPolarHBondContact CD-OH 3.22Å; R135-Y187 HydrophobicContact CG-CE1 4.38Å; R135-Y187 WeakPolarHBondContact O-CE1 3.24Å
136	T	86.7	Confident	87.2	Confident	24 Å²	24	28.1 Å²	28.1	15%	0.147	14%	0.138	C	C	.	.	H	α-helix	trans	-68.5	-45.3	-177.3	-53.8	0	0	0	0	111.7	L34 E132 V133 Q134 E139 V140	L34-T136 HydrophobicContact CD2-CG2 3.61Å; E132-T136 WeakPolarHBondContact O-CB 3.44Å; E132-T136 PolarHBondContact O-N 2.93Å; E132-T136 VanDerWaalsContact O-N 3.09Å; E132-T136 PolarHBondContact O-OG1 2.74Å; V133-T136 PolarHBondContact O-N 2.65Å; Q134-T136 PolarHBondContact O-N 2.9Å; T136-E139 PolarHBondContact O-N 2.83Å; T136-V140 WeakPolarHBondContact O-CG2 3.3Å; T136-V140 PolarHBondContact O-N 2.6Å
137	Y	85.8	Confident	86.5	Confident	18 Å²	18	29.3 Å²	29.3	7%	0.071	14%	0.144	C	C	.	.	H	α-helix	trans	-78.6	-17.7	178.1	-76.4	-83	0	0	0	113.9	V133 Q134 V140 L141 F215 I216	V133-Y137 HydrophobicContact CG1-CD2 3.55Å; V133-Y137 HydrophobicContact CG1-CE2 3.78Å; V133-Y137 WeakPolarHBondContact O-CD2 3.47Å; V133-Y137 PolarHBondContact O-N 3.02Å; Q134-Y137 PolarHBondContact O-N 3.2Å; Y137-V140 HydrophobicContact CD1-CB 4.49Å; Y137-L141 VanDerWaalsContact O-CB 3.24Å; Y137-L141 WeakPolarHBondContact O-CB 3.26Å; Y137-L141 WeakPolarHBondContact O-CG 3.39Å; Y137-L141 PolarHBondContact O-N 2.9Å; Y137-F215 AromaticContact CD1-CD1 3.77Å; Y137-F215 HydrophobicContact CD1-CD1 3.77Å; Y137-F215 AromaticContact CD1-CE1 3.86Å; Y137-F215 HydrophobicContact CD1-CE1 3.86Å; Y137-F215 AromaticContact CE1-CD1 3.93Å; Y137-F215 HydrophobicContact CE1-CD1 3.93Å; Y137-F215 AromaticContact CE1-CE1 3.85Å; Y137-F215 HydrophobicContact CE1-CE1 3.85Å; Y137-I216 HydrophobicContact CD1-CG1 4.08Å; Y137-I216 HydrophobicContact CD2-CD1 3.74Å; Y137-I216 HydrophobicContact CD2-CG1 4.1Å; Y137-I216 HydrophobicContact CE1-CD1 4.5Å; Y137-I216 HydrophobicContact CE1-CG1 3.8Å; Y137-I216 HydrophobicContact CE2-CD1 3.7Å; Y137-I216 HydrophobicContact CE2-CG1 3.81Å; Y137-I216 HydrophobicContact CG-CD1 4.16Å; Y137-I216 HydrophobicContact CG-CG1 4.22Å
138	A	86.4	Confident	85.5	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.7	-38	167.9	0	0	0	0	0	112.2	Q134 L141 H142 I143 Y187 F204 M212	Q134-A138 WeakPolarHBondContact O-CB 3.5Å; Q134-A138 PolarHBondContact O-N 3.11Å; A138-L141 CarbonylContact O-C 3.42Å; A138-H142 PolarHBondContact O-N 3.29Å; A138-H142 VanDerWaalsContact O-N 3.07Å; A138-I143 HydrophobicContact CB-CB 4.34Å; A138-I143 HydrophobicContact CB-CD1 4.21Å; A138-I143 HydrophobicContact CB-CG1 4.45Å; A138-I143 PolarHBondContact O-N 3.39Å; A138-Y187 HydrophobicContact CB-CD1 3.69Å; A138-Y187 HydrophobicContact CB-CE1 4.41Å; A138-Y187 HydrophobicContact CB-CG 4.2Å; A138-F204 HydrophobicContact CB-CE1 3.46Å; A138-F204 VanDerWaalsContact CB-CE1 3.46Å; A138-F204 HydrophobicContact CB-CZ 3.45Å; A138-F204 VanDerWaalsContact CB-CZ 3.45Å; A138-M212 HydrophobicContact CB-CE 3.8Å
139	E	84.1	Confident	84.6	Confident	48 Å²	48	35.9 Å²	35.9	22%	0.224	18%	0.179	C	C	.	.	H	α-helix	trans	-69.6	-45.8	175.6	-172	160.9	-129.6	0	0	111	R135 T136 L141 H142 Y187 Q188 K189	R135-E139 PolarHBondContact O-N 3.35Å; T136-E139 PolarHBondContact O-N 2.83Å; E139-L141 VanDerWaalsContact C-N 3.28Å; E139-L141 PolarHBondContact O-N 3.49Å; E139-H142 PolarHBondContact O-CE1 3.32Å; E139-H142 PolarHBondContact O-N 3.49Å; E139-H142 VanDerWaalsContact O-N 3.1Å; E139-H142 PolarHBondContact O-ND1 3.09Å; E139-Y187 WeakPolarHBondContact CA-O 3.25Å; E139-Y187 HydrophobicContact CB-CD1 4.46Å; E139-Q188 VanDerWaalsContact OE1-CA 3.24Å; E139-Q188 WeakPolarHBondContact OE1-CA 3.42Å; E139-K189 PolarHBondContact OE1-N 3.31Å; E139-K189 WeakPolarHBondContact OE2-CB 3.4Å
140	V	80.6	Confident	83.5	Confident	42 Å²	42	37 Å²	37	26%	0.255	19%	0.185	S	C	.	.	H	α-helix	trans	-61.1	-32	174	174.5	0	0	0	0	113.5	L34 T136 Y137 F215	L34-V140 HydrophobicContact CD1-CG2 3.58Å; L34-V140 HydrophobicContact CD2-CG2 3.45Å; L34-V140 VanDerWaalsContact CD2-CG2 3.45Å; L34-V140 HydrophobicContact CG-CG2 4.17Å; T136-V140 WeakPolarHBondContact O-CG2 3.3Å; T136-V140 PolarHBondContact O-N 2.6Å; Y137-V140 HydrophobicContact CD1-CB 4.49Å; V140-F215 HydrophobicContact CG1-CE1 4.12Å; V140-F215 HydrophobicContact CG1-CZ 4.19Å
141	L	78.6	Confident	82.2	Confident	45 Å²	45	41.1 Å²	41.1	24%	0.236	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	10.7	178.6	-63.5	173.4	0	0	0	112.6	Y137 A138 E139 I143 M212 F215	Y137-L141 VanDerWaalsContact O-CB 3.24Å; Y137-L141 WeakPolarHBondContact O-CB 3.26Å; Y137-L141 WeakPolarHBondContact O-CG 3.39Å; Y137-L141 PolarHBondContact O-N 2.9Å; A138-L141 CarbonylContact O-C 3.42Å; E139-L141 VanDerWaalsContact C-N 3.28Å; E139-L141 PolarHBondContact O-N 3.49Å; L141-I143 HydrophobicContact CB-CD1 4.22Å; L141-I143 HydrophobicContact CB-CG1 3.83Å; L141-I143 PolarHBondContact O-N 2.76Å; L141-M212 HydrophobicContact CD1-CG 4.31Å; L141-F215 HydrophobicContact CD1-CB 4.46Å; L141-F215 HydrophobicContact CD1-CG 4.44Å; L141-F215 HydrophobicContact CD2-CD1 4.4Å; L141-F215 HydrophobicContact CD2-CD2 3.77Å; L141-F215 HydrophobicContact CD2-CE1 4.39Å; L141-F215 HydrophobicContact CD2-CE2 3.76Å; L141-F215 HydrophobicContact CD2-CG 4.09Å; L141-F215 HydrophobicContact CD2-CZ 4.08Å
142	H	78.9	Confident	80.8	Confident	100 Å²	100	43.2 Å²	43.2	46%	0.463	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	38.1	47	-177	-64.5	-50.1	0	0	0	113.6	A138 E139 K144 P186	A138-H142 PolarHBondContact O-N 3.29Å; A138-H142 VanDerWaalsContact O-N 3.07Å; E139-H142 PolarHBondContact O-CE1 3.32Å; E139-H142 PolarHBondContact O-N 3.49Å; E139-H142 VanDerWaalsContact O-N 3.1Å; E139-H142 PolarHBondContact O-ND1 3.09Å; H142-K144 PolarHBondContact O-N 3.31Å; H142-P186 HydrophobicContact CB-CB 4.22Å
143	I	82	Confident	79.2	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.021	23%	0.234	C	C	.	.			trans	-67.8	119.4	-173.5	-61.3	-174.3	0	0	0	109.1	A138 L141 I145 Y187 M208 M212	A138-I143 HydrophobicContact CB-CB 4.34Å; A138-I143 HydrophobicContact CB-CD1 4.21Å; A138-I143 HydrophobicContact CB-CG1 4.45Å; A138-I143 PolarHBondContact O-N 3.39Å; L141-I143 HydrophobicContact CB-CD1 4.22Å; L141-I143 HydrophobicContact CB-CG1 3.83Å; L141-I143 PolarHBondContact O-N 2.76Å; I143-I145 HydrophobicContact CG2-CG1 4.25Å; I143-Y187 VanDerWaalsContact O-CB 3.3Å; I143-Y187 WeakPolarHBondContact O-CB 3.32Å; I143-Y187 PolarHBondContact O-N 3.09Å; I143-M208 HydrophobicContact CG2-CE 3.81Å; I143-M208 HydrophobicContact CG2-SD 3.81Å; I143-M212 HydrophobicContact CD1-CE 3.59Å
144	K	81	Confident	77.5	Confident	15 Å²	15	48.6 Å²	48.6	7%	0.065	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	133.8	171.2	-80.3	-171.2	157.5	-167.9	0	111.3	H142 T184 A185 D408 E411 E872	H142-K144 PolarHBondContact O-N 3.31Å; K144-T184 WeakPolarHBondContact CD-OG1 3.46Å; K144-A185 WeakPolarHBondContact CA-O 3.2Å; K144-D408 HydrophobicContact CB-CB 3.91Å; K144-D408 HydrophobicContact CD-CB 3.81Å; K144-D408 HydrophobicContact CG-CB 4.4Å; K144-E411 WeakPolarHBondContact CE-OE2 3.48Å; K144-E411 IonicContact NZ-OE2 3.61Å; K144-E411 PolarHBondContact NZ-OE2 3.34Å; K144-E872 IonicContact NZ-OE1 3.24Å; K144-E872 PolarHBondContact NZ-OE1 3.43Å
145	I	83.7	Confident	75.3	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	143	-177.9	-62.6	-171.2	0	0	0	108.6	I143 T184 A185 Y187 F195 F203 F204	I143-I145 HydrophobicContact CG2-CG1 4.25Å; I145-T184 VanDerWaalsContact O-CA 3.28Å; I145-T184 WeakPolarHBondContact O-CA 3.48Å; I145-T184 WeakPolarHBondContact O-CB 3.43Å; I145-A185 PolarHBondContact N-O 3.33Å; I145-A185 PolarHBondContact O-N 2.99Å; I145-A185 VanDerWaalsContact O-N 3.11Å; I145-Y187 HydrophobicContact CD1-CD2 3.63Å; I145-Y187 HydrophobicContact CD1-CE2 4.49Å; I145-Y187 HydrophobicContact CD1-CG 3.89Å; I145-F195 HydrophobicContact CB-CD1 3.76Å; I145-F195 HydrophobicContact CB-CE1 4Å; I145-F195 HydrophobicContact CG2-CB 4.15Å; I145-F195 HydrophobicContact CG2-CD1 3.69Å; I145-F195 HydrophobicContact CG2-CE1 4.43Å; I145-F195 HydrophobicContact CG2-CG 4.09Å; I145-F203 HydrophobicContact CD1-CD1 4.19Å; I145-F203 HydrophobicContact CD1-CE1 3.42Å; I145-F203 VanDerWaalsContact CD1-CE1 3.42Å; I145-F203 HydrophobicContact CD1-CZ 3.85Å; I145-F203 HydrophobicContact CG2-CE1 4.23Å; I145-F203 HydrophobicContact CG2-CE2 3.99Å; I145-F203 HydrophobicContact CG2-CZ 3.73Å; I145-F204 HydrophobicContact CD1-CD1 4.25Å; I145-F204 HydrophobicContact CD1-CE1 3.51Å; I145-F204 HydrophobicContact CD1-CZ 3.94Å
146	P	83.6	Confident	73.4	Confident	34 Å²	34	58.4 Å²	58.4	22%	0.221	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	131.6	-179.7	26.6	-37.5	0	0	0	113.7	H182 Y183 L196	P146-H182 HydrophobicContact CB-CB 3.6Å; P146-Y183 WeakPolarHBondContact CA-O 3.17Å; P146-L196 HydrophobicContact CB-CD1 4.1Å; P146-L196 PolarHBondContact O-N 3.06Å
147	I	78.9	Confident	71.6	Confident	26 Å²	26	61.8 Å²	61.8	13%	0.133	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-50.2	170.5	-66.2	170	0	0	0	110.3	Y183 A185 C194 F195 L196 I879	I147-Y183 PolarHBondContact N-O 2.92Å; I147-A185 HydrophobicContact CD1-CB 3.42Å; I147-A185 VanDerWaalsContact CD1-CB 3.42Å; I147-A185 HydrophobicContact CG1-CB 4.25Å; I147-C194 VanDerWaalsContact CG2-O 3.28Å; I147-C194 WeakPolarHBondContact CG2-O 3.48Å; I147-F195 HydrophobicContact CG1-CD1 3.88Å; I147-F195 HydrophobicContact CG1-CE1 3.99Å; I147-L196 WeakPolarHBondContact O-CG 3.4Å; I147-I879 HydrophobicContact CD1-CD1 4.35Å; I147-I879 HydrophobicContact CG2-CD1 3.77Å
148	E	73.7	Confident	69.5	Low	90 Å²	90	67.4 Å²	67.4	42%	0.421	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	153.6	-170.4	-170.4	167.3	-133.5	0	0	110.5	H182 Y183	E148-H182 CarbonylContact O-C 3.59Å; E148-H182 VanDerWaalsContact O-CA 3.25Å; E148-H182 WeakPolarHBondContact O-CA 3.44Å; E148-H182 WeakPolarHBondContact O-CB 2.92Å; E148-Y183 HydrophobicContact CB-CD2 4.49Å; E148-Y183 PolarHBondContact N-O 3.18Å; E148-Y183 PolarHBondContact O-N 2.99Å
149	V	75.5	Confident	67.5	Low	67 Å²	67	76.1 Å²	76.1	41%	0.406	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	141.4	175.8	-177.7	0	0	0	0	109.3	D151 V180	V149-D151 PolarHBondContact O-N 3.32Å; V149-V180 HydrophobicContact CG1-CG1 3.69Å
150	N	70.9	Confident	65.8	Low	24 Å²	24	78 Å²	78	13%	0.128	39%	0.394	C	S	.	.			trans	-74.7	114.5	177.5	-179.2	13.1	0	0	0	111.2	H152 D181 Y183	N150-H152 PolarHBondContact O-N 2.91Å; N150-H152 WeakPolarHBondContact OD1-CB 3.3Å; N150-H152 PolarHBondContact OD1-N 2.66Å; N150-D181 HydrophobicContact CB-CB 4.07Å; N150-D181 VanDerWaalsContact CB-O 3.24Å; N150-D181 WeakPolarHBondContact CB-O 3.33Å; N150-D181 PolarHBondContact N-O 3.17Å; N150-Y183 HydrophobicContact CB-CE2 4.33Å; N150-Y183 PolarHBondContact OD1-OH 3.12Å
151	D	66.4	Low	64.3	Low	108 Å²	108	82.7 Å²	82.7	58%	0.578	42%	0.417	S	S	*	.			trans	-64.9	-22.1	177	-49.9	-59.8	0	0	0	113.8	V149 V153 R871	V149-D151 PolarHBondContact O-N 3.32Å; D151-V153 PolarHBondContact O-N 2.83Å; D151-R871 IonicContact OD2-CZ 3.55Å; D151-R871 IonicContact OD2-NH1 3.38Å; D151-R871 IonicContact OD2-NH2 2.68Å; D151-R871 PolarHBondContact OD2-NH2 3.22Å
152	H	59.4	Low	63.2	Low	92 Å²	92	86.2 Å²	86.2	43%	0.426	43%	0.431	S	S	.	.			trans	-77.3	108.5	-175.2	-75.9	-74.1	0	0	0	111.4	N150 D154 R871	N150-H152 PolarHBondContact O-N 2.91Å; N150-H152 WeakPolarHBondContact OD1-CB 3.3Å; N150-H152 PolarHBondContact OD1-N 2.66Å; H152-D154 PolarHBondContact O-N 3.06Å; H152-D154 VanDerWaalsContact O-N 3.15Å; H152-R871 PolarHBondContact CD2-NH1 3.1Å; H152-R871 PolarHBondContact NE2-NH1 3.37Å
153	V	56.3	Low	62.2	Low	121 Å²	121	83.7 Å²	83.7	73%	0.733	42%	0.421	S	S	*	.			trans	-69.7	104.7	164.7	-178.6	0	0	0	0	109.2	D151 R155	D151-V153 PolarHBondContact O-N 2.83Å; V153-R155 HydrophobicContact CG1-CG 4.43Å; V153-R155 PolarHBondContact O-N 2.94Å
154	D	55.1	Low	61.3	Low	91 Å²	91	93.7 Å²	93.7	49%	0.487	46%	0.459	S	S	.	.			trans	-59.2	104.2	169.1	-91.6	-27.8	0	0	0	110.7	H152	H152-D154 PolarHBondContact O-N 3.06Å; H152-D154 VanDerWaalsContact O-N 3.15Å
155	R	44.9	Very low	60.5	Low	214 Å²	214	97 Å²	97	81%	0.808	48%	0.477	S	S	*	.			trans	-94.4	120.6	167	-71.9	-175.6	172.5	-177.7	-2	108.9	V153 P157	V153-R155 HydrophobicContact CG1-CG 4.43Å; V153-R155 PolarHBondContact O-N 2.94Å; R155-P157 VanDerWaalsContact C-CD 3.42Å; R155-P157 WeakPolarHBondContact O-CD 3.44Å
156	S	49.8	Very low	59.7	Low	58 Å²	58	98.3 Å²	98.3	41%	0.406	48%	0.484	S	S	.	.			trans	-104.3	70.1	175.6	55.9	0	0	0	0	111.5	I158 W159 D160	S156-I158 PolarHBondContact O-N 3.31Å; S156-W159 PolarHBondContact O-N 3.37Å; S156-D160 PolarHBondContact O-N 2.97Å; S156-D160 PolarHBondContact OG-OD1 3.04Å
157	P	47.1	Very low	59	Low	95 Å²	95	102.2 Å²	102.2	62%	0.617	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-12.4	-160.9	25.9	-37.8	0	0	0	115.8	R155	R155-P157 VanDerWaalsContact C-CD 3.42Å; R155-P157 WeakPolarHBondContact O-CD 3.44Å
158	I	43.1	Very low	58.7	Low	137 Å²	137	107.7 Å²	107.7	70%	0.703	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-31.7	178.9	-57.3	175.8	0	0	0	111.7	S156	S156-I158 PolarHBondContact O-N 3.31Å
159	W	42.9	Very low	58.9	Low	183 Å²	183	107.9 Å²	107.9	69%	0.693	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-29.6	-179.7	-72.1	104	0	0	0	112.7	S156 L161 F162	S156-W159 PolarHBondContact O-N 3.37Å; W159-L161 PolarHBondContact O-N 3.22Å; W159-F162 PolarHBondContact O-N 2.82Å; W159-F162 VanDerWaalsContact O-N 3.08Å
160	D	48.9	Very low	58.8	Low	86 Å²	86	108.3 Å²	108.3	46%	0.46	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-60.3	-28.7	179.2	-54.9	-15	0	0	0	111.9	S156 F162 D163	S156-D160 PolarHBondContact O-N 2.97Å; S156-D160 PolarHBondContact OG-OD1 3.04Å; D160-F162 PolarHBondContact O-N 2.75Å; D160-F162 VanDerWaalsContact O-N 3.15Å; D160-D163 WeakPolarHBondContact O-CB 3.47Å; D160-D163 PolarHBondContact O-N 2.7Å; D160-D163 VanDerWaalsContact O-N 3.08Å
161	L	50.6	Low	59	Low	141 Å²	141	108.6 Å²	108.6	74%	0.738	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-61.6	-19.2	177.3	-130.3	159.1	0	0	0	113.5	W159	W159-L161 PolarHBondContact O-N 3.22Å
162	F	53.7	Low	59.2	Low	120 Å²	120	107 Å²	107	53%	0.526	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-116.7	13.6	176	-69.7	-79.2	0	0	0	113.3	W159 D160 W164 I165 T166	W159-F162 PolarHBondContact O-N 2.82Å; W159-F162 VanDerWaalsContact O-N 3.08Å; D160-F162 PolarHBondContact O-N 2.75Å; D160-F162 VanDerWaalsContact O-N 3.15Å; F162-W164 VanDerWaalsContact C-N 3.3Å; F162-W164 PolarHBondContact O-N 3.49Å; F162-I165 HydrophobicContact CD1-CD1 4.45Å; F162-I165 PolarHBondContact O-N 3.42Å; F162-T166 HydrophobicContact CB-CG2 4.15Å; F162-T166 PolarHBondContact O-N 2.91Å
163	D	58.2	Low	59.9	Low	47 Å²	47	107.5 Å²	107.5	25%	0.251	52%	0.516	S	S	.	.	H	α-helix	trans	-61.4	-33.1	-167.1	-161.9	60.9	0	0	0	114.1	D160 I165 T166 K167 K170	D160-D163 WeakPolarHBondContact O-CB 3.47Å; D160-D163 PolarHBondContact O-N 2.7Å; D160-D163 VanDerWaalsContact O-N 3.08Å; D163-I165 PolarHBondContact O-N 2.9Å; D163-T166 WeakPolarHBondContact CA-OG1 3.41Å; D163-T166 PolarHBondContact O-N 3.45Å; D163-T166 PolarHBondContact OD1-OG1 3.21Å; D163-K167 WeakPolarHBondContact O-CB 3.43Å; D163-K167 PolarHBondContact O-N 3.04Å; D163-K170 IonicContact OD1-NZ 2.86Å; D163-K170 PolarHBondContact OD1-NZ 2.84Å
164	W	64.4	Low	60.6	Low	213 Å²	213	111 Å²	111	81%	0.807	52%	0.521	S	S	*	.	H	α-helix	trans	-54.1	-39.1	172.9	173.9	58.3	0	0	0	113	F162	F162-W164 VanDerWaalsContact C-N 3.3Å; F162-W164 PolarHBondContact O-N 3.49Å
165	I	64.1	Low	61.4	Low	86 Å²	86	110.6 Å²	110.6	44%	0.441	52%	0.518	S	S	.	.	H	α-helix	trans	-82.5	-47	178.9	-58	-179.4	0	0	0	110	F162 D163 K167 H168 F169	F162-I165 HydrophobicContact CD1-CD1 4.45Å; F162-I165 PolarHBondContact O-N 3.42Å; D163-I165 PolarHBondContact O-N 2.9Å; I165-K167 VanDerWaalsContact C-N 3.26Å; I165-K167 PolarHBondContact O-N 2.91Å; I165-H168 PolarHBondContact O-N 3.07Å; I165-F169 HydrophobicContact CG2-CE2 4.07Å; I165-F169 WeakPolarHBondContact O-CD2 3.49Å
166	T	66.9	Low	63	Low	31 Å²	31	101.7 Å²	101.7	19%	0.19	49%	0.487	C	S	.	.	H	α-helix	trans	-67.2	-27.3	-175.7	73.1	0	0	0	0	112.7	F162 D163 H168 F169 K170	F162-T166 HydrophobicContact CB-CG2 4.15Å; F162-T166 PolarHBondContact O-N 2.91Å; D163-T166 WeakPolarHBondContact CA-OG1 3.41Å; D163-T166 PolarHBondContact O-N 3.45Å; D163-T166 PolarHBondContact OD1-OG1 3.21Å; T166-H168 PolarHBondContact O-N 3.1Å; T166-F169 CarbonylContact O-C 3.6Å; T166-F169 WeakPolarHBondContact O-CA 3.48Å; T166-F169 PolarHBondContact O-N 2.89Å; T166-K170 PolarHBondContact O-N 3.14Å
167	K	67.4	Low	64	Low	117 Å²	117	107.3 Å²	107.3	51%	0.509	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23	176.9	-173.1	164.3	-165	140.7	0	114.9	D163 I165 F169	D163-K167 WeakPolarHBondContact O-CB 3.43Å; D163-K167 PolarHBondContact O-N 3.04Å; I165-K167 VanDerWaalsContact C-N 3.26Å; I165-K167 PolarHBondContact O-N 2.91Å; K167-F169 VanDerWaalsContact C-N 3.34Å
168	H	73.3	Confident	64.9	Low	141 Å²	141	108.7 Å²	108.7	65%	0.653	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-19.3	171.4	-78.2	70	0	0	0	113	I165 T166	I165-H168 PolarHBondContact O-N 3.07Å; T166-H168 PolarHBondContact O-N 3.1Å
169	F	77.6	Confident	66.1	Low	94 Å²	94	105.2 Å²	105.2	41%	0.412	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-25.7	175.9	-55.6	-63.6	0	0	0	112.6	I165 T166 K167 Y280 K281 T282	I165-F169 HydrophobicContact CG2-CE2 4.07Å; I165-F169 WeakPolarHBondContact O-CD2 3.49Å; T166-F169 CarbonylContact O-C 3.6Å; T166-F169 WeakPolarHBondContact O-CA 3.48Å; T166-F169 PolarHBondContact O-N 2.89Å; K167-F169 VanDerWaalsContact C-N 3.34Å; F169-Y280 HydrophobicContact CD1-CD2 4.07Å; F169-Y280 VanDerWaalsContact CD1-O 3.32Å; F169-Y280 WeakPolarHBondContact CD1-O 3.03Å; F169-K281 CarbonylContact O-C 3.54Å; F169-K281 WeakPolarHBondContact O-CA 3.2Å; F169-T282 HydrophobicContact CB-CG2 4.34Å; F169-T282 PolarHBondContact O-N 3Å; F169-T282 PolarHBondContact O-OG1 3.38Å
170	K	74	Confident	67.5	Low	76 Å²	76	100.8 Å²	100.8	33%	0.33	47%	0.474	S	S	.	.	S	Bend	trans	-60.1	151.5	174.4	-73.9	175.1	176.5	178	0	112	D163 T166	D163-K170 IonicContact OD1-NZ 2.86Å; D163-K170 PolarHBondContact OD1-NZ 2.84Å; T166-K170 PolarHBondContact O-N 3.14Å
171	P	74.2	Confident	68.5	Low	29 Å²	29	99.3 Å²	99.3	19%	0.188	47%	0.466	C	S	.	.			trans	-65.7	159.2	171.3	-13	30.1	0	0	0	110.4	E173 I176 T282 P284	P171-E173 PolarHBondContact O-N 3.01Å; P171-I176 HydrophobicContact CB-CD1 4.15Å; P171-T282 WeakPolarHBondContact CD-OG1 3.42Å; P171-P284 HydrophobicContact CG-CB 4.22Å
172	N	72.6	Confident	69.7	Low	74 Å²	74	96.1 Å²	96.1	40%	0.396	45%	0.447	S	S	.	.			trans	-70.9	103.2	-178.6	-173.6	-10	0	0	0	111.5	K174 L175 I176	N172-K174 PolarHBondContact O-N 2.89Å; N172-K174 WeakPolarHBondContact OD1-CB 3.45Å; N172-K174 PolarHBondContact OD1-N 3.19Å; N172-L175 HydrophobicContact CB-CB 4.48Å; N172-L175 HydrophobicContact CB-CD1 4.24Å; N172-L175 HydrophobicContact CB-CG 4.38Å; N172-L175 WeakPolarHBondContact O-CA 3.45Å; N172-L175 PolarHBondContact O-N 3.26Å; N172-I176 PolarHBondContact O-N 3.32Å
173	E	72.6	Confident	70.8	Confident	104 Å²	104	90.8 Å²	90.8	49%	0.486	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-23.7	-179.4	-65.4	166.2	173.1	0	0	114.1	P171 L175 I176	P171-E173 PolarHBondContact O-N 3.01Å; E173-L175 VanDerWaalsContact C-N 3.34Å; E173-I176 WeakPolarHBondContact CA-O 3.17Å
174	K	71.4	Confident	71.8	Confident	195 Å²	195	89 Å²	89	85%	0.848	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-19	175.2	-62.2	-173.7	178.1	-176.5	0	113.7	N172	N172-K174 PolarHBondContact O-N 2.89Å; N172-K174 WeakPolarHBondContact OD1-CB 3.45Å; N172-K174 PolarHBondContact OD1-N 3.19Å
175	L	72.9	Confident	72.5	Confident	81 Å²	81	79.2 Å²	79.2	42%	0.424	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-40.4	179.3	-62	178.1	0	0	0	111.7	N172 E173 L268	N172-L175 HydrophobicContact CB-CB 4.48Å; N172-L175 HydrophobicContact CB-CD1 4.24Å; N172-L175 HydrophobicContact CB-CG 4.38Å; N172-L175 WeakPolarHBondContact O-CA 3.45Å; N172-L175 PolarHBondContact O-N 3.26Å; E173-L175 VanDerWaalsContact C-N 3.34Å; L175-L268 HydrophobicContact CB-CD1 4.07Å
176	I	76.6	Confident	73.3	Confident	28 Å²	28	76.8 Å²	76.8	14%	0.144	37%	0.369	C	S	.	.	S	Bend	trans	-116	99	174	-57.4	172.9	0	0	0	106.8	P171 N172 E173 L268 E272 P284 L287	P171-I176 HydrophobicContact CB-CD1 4.15Å; N172-I176 PolarHBondContact O-N 3.32Å; E173-I176 WeakPolarHBondContact CA-O 3.17Å; I176-L268 HydrophobicContact CD1-CD1 4.42Å; I176-L268 HydrophobicContact CD1-CG 4.29Å; I176-L268 HydrophobicContact CG1-CD1 3.99Å; I176-L268 HydrophobicContact CG1-CD2 3.85Å; I176-L268 HydrophobicContact CG1-CG 3.92Å; I176-E272 HydrophobicContact CD1-CB 4.03Å; I176-E272 HydrophobicContact CD1-CG 4.22Å; I176-P284 HydrophobicContact CD1-CB 3.92Å; I176-P284 HydrophobicContact CD1-CG 4.18Å; I176-P284 HydrophobicContact CG2-CB 4.5Å; I176-L287 HydrophobicContact CD1-CD2 4.01Å; I176-L287 HydrophobicContact CG1-CD2 4.18Å
177	K	71	Confident	74	Confident	176 Å²	176	75.3 Å²	75.3	77%	0.765	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-67.9	142.4	168	-62.6	-178	178.7	-176.9	0	108.3	E179	K177-E179 PolarHBondContact O-N 3.04Å
178	K	67.1	Low	74.6	Confident	124 Å²	124	73 Å²	73	54%	0.539	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-57	137.3	163.7	-159.9	-151.1	173.3	-160.1	0	107.4	D181	K178-D181 VanDerWaalsContact NZ-CG 3.27Å; K178-D181 IonicContact NZ-OD1 3.42Å; K178-D181 PolarHBondContact NZ-OD1 3.5Å; K178-D181 VanDerWaalsContact NZ-OD1 3.1Å; K178-D181 IonicContact NZ-OD2 3.8Å; K178-D181 PolarHBondContact NZ-OD2 2.76Å
179	E	68.8	Low	74.9	Confident	63 Å²	63	69.6 Å²	69.6	29%	0.294	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-64.2	142.6	165.8	-60.2	-165.2	134.2	0	0	108.1	K177 D286 R289	K177-E179 PolarHBondContact O-N 3.04Å; E179-D286 HydrophobicContact CG-CB 4.32Å; E179-R289 IonicContact OE2-CZ 3.89Å; E179-R289 IonicContact OE2-NH2 2.65Å; E179-R289 PolarHBondContact OE2-NH2 3.38Å
180	V	70.6	Confident	74.7	Confident	91 Å²	91	72 Å²	72	55%	0.552	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-80.8	134.4	175.4	-173.9	0	0	0	0	107.2	V149 H182	V149-V180 HydrophobicContact CG1-CG1 3.69Å; V180-H182 PolarHBondContact O-CE1 3.06Å; V180-H182 VanDerWaalsContact O-CE1 3.25Å; V180-H182 PolarHBondContact O-ND1 3.31Å
181	D	70.9	Confident	74.7	Confident	55 Å²	55	69.7 Å²	69.7	29%	0.294	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-73.9	142.3	179.8	-46	-78.2	0	0	0	109.6	N150 K178	N150-D181 HydrophobicContact CB-CB 4.07Å; N150-D181 VanDerWaalsContact CB-O 3.24Å; N150-D181 WeakPolarHBondContact CB-O 3.33Å; N150-D181 PolarHBondContact N-O 3.17Å; K178-D181 VanDerWaalsContact NZ-CG 3.27Å; K178-D181 IonicContact NZ-OD1 3.42Å; K178-D181 PolarHBondContact NZ-OD1 3.5Å; K178-D181 VanDerWaalsContact NZ-OD1 3.1Å; K178-D181 IonicContact NZ-OD2 3.8Å; K178-D181 PolarHBondContact NZ-OD2 2.76Å
182	H	75.9	Confident	74.7	Confident	74 Å²	74	71 Å²	71	34%	0.343	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.1	-175.1	-68.2	81.7	0	0	0	110.2	P146 E148 V180 L196	P146-H182 HydrophobicContact CB-CB 3.6Å; E148-H182 CarbonylContact O-C 3.59Å; E148-H182 VanDerWaalsContact O-CA 3.25Å; E148-H182 WeakPolarHBondContact O-CA 3.44Å; E148-H182 WeakPolarHBondContact O-CB 2.92Å; V180-H182 PolarHBondContact O-CE1 3.06Å; V180-H182 VanDerWaalsContact O-CE1 3.25Å; V180-H182 PolarHBondContact O-ND1 3.31Å; H182-L196 VanDerWaalsContact CD2-CD1 3.48Å; H182-L196 WeakPolarHBondContact CD2-CD1 3.5Å
183	Y	77	Confident	74.8	Confident	8 Å²	8	73.2 Å²	73.2	3%	0.031	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	131.4	163.7	-63.8	-66.2	0	0	0	109.3	P146 I147 E148 N150 R871 E872 L875	P146-Y183 WeakPolarHBondContact CA-O 3.17Å; I147-Y183 PolarHBondContact N-O 2.92Å; E148-Y183 HydrophobicContact CB-CD2 4.49Å; E148-Y183 PolarHBondContact N-O 3.18Å; E148-Y183 PolarHBondContact O-N 2.99Å; N150-Y183 HydrophobicContact CB-CE2 4.33Å; N150-Y183 PolarHBondContact OD1-OH 3.12Å; Y183-R871 HydrophobicContact CE1-CG 4.29Å; Y183-R871 VanDerWaalsContact OH-CD 3.28Å; Y183-R871 WeakPolarHBondContact OH-CD 3.39Å; Y183-R871 VanDerWaalsContact OH-CZ 3.29Å; Y183-R871 PolarHBondContact OH-NE 2.78Å; Y183-E872 HydrophobicContact CD1-CB 4.3Å; Y183-L875 HydrophobicContact CD1-CD1 4Å; Y183-L875 HydrophobicContact CD2-CD1 3.64Å; Y183-L875 HydrophobicContact CE1-CD1 4.06Å; Y183-L875 HydrophobicContact CE2-CD1 3.68Å; Y183-L875 HydrophobicContact CG-CD1 3.81Å
184	T	79.4	Confident	74.8	Confident	9 Å²	9	69.8 Å²	69.8	6%	0.055	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	158	-175.6	75.4	0	0	0	0	111.4	K144 I145 D408	K144-T184 WeakPolarHBondContact CD-OG1 3.46Å; I145-T184 VanDerWaalsContact O-CA 3.28Å; I145-T184 WeakPolarHBondContact O-CA 3.48Å; I145-T184 WeakPolarHBondContact O-CB 3.43Å; T184-D408 WeakPolarHBondContact CG2-OD1 3.38Å; T184-D408 PolarHBondContact OG1-OD1 2.91Å
185	A	78.6	Confident	75.2	Confident	7 Å²	7	61.1 Å²	61.1	6%	0.058	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	154.8	171.8	0	0	0	0	0	110.6	K144 I145 I147 Y187 F195 T876	K144-A185 WeakPolarHBondContact CA-O 3.2Å; I145-A185 PolarHBondContact N-O 3.33Å; I145-A185 PolarHBondContact O-N 2.99Å; I145-A185 VanDerWaalsContact O-N 3.11Å; I147-A185 HydrophobicContact CD1-CB 3.42Å; I147-A185 VanDerWaalsContact CD1-CB 3.42Å; I147-A185 HydrophobicContact CG1-CB 4.25Å; A185-Y187 PolarHBondContact O-N 3.41Å; A185-F195 HydrophobicContact CB-CE1 4.28Å; A185-T876 HydrophobicContact CB-CG2 4.15Å
186	P	80.3	Confident	75.3	Confident	36 Å²	36	60 Å²	60	23%	0.234	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	129.3	175.6	25.1	-34.9	0	0	0	110.8	H142 Q188	H142-P186 HydrophobicContact CB-CB 4.22Å; P186-Q188 PolarHBondContact O-N 3.49Å
187	Y	82.9	Confident	75	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.327	C	S	.	.			trans	-63.4	128.7	-177	-176.9	-98.5	0	0	0	112.2	R135 A138 E139 I143 I145 A185 H192 F195 F203	R135-Y187 HydrophobicContact CB-CE1 4.11Å; R135-Y187 VanDerWaalsContact CD-OH 3.28Å; R135-Y187 WeakPolarHBondContact CD-OH 3.22Å; R135-Y187 HydrophobicContact CG-CE1 4.38Å; R135-Y187 WeakPolarHBondContact O-CE1 3.24Å; A138-Y187 HydrophobicContact CB-CD1 3.69Å; A138-Y187 HydrophobicContact CB-CE1 4.41Å; A138-Y187 HydrophobicContact CB-CG 4.2Å; E139-Y187 WeakPolarHBondContact CA-O 3.25Å; E139-Y187 HydrophobicContact CB-CD1 4.46Å; I143-Y187 VanDerWaalsContact O-CB 3.3Å; I143-Y187 WeakPolarHBondContact O-CB 3.32Å; I143-Y187 PolarHBondContact O-N 3.09Å; I145-Y187 HydrophobicContact CD1-CD2 3.63Å; I145-Y187 HydrophobicContact CD1-CE2 4.49Å; I145-Y187 HydrophobicContact CD1-CG 3.89Å; A185-Y187 PolarHBondContact O-N 3.41Å; Y187-H192 AromaticContact CE2-ND1 3.64Å; Y187-H192 AromaticContact CZ-ND1 3.78Å; Y187-H192 PolarHBondContact OH-ND1 2.83Å; Y187-F195 AromaticContact CD2-CD2 3.93Å; Y187-F195 HydrophobicContact CD2-CD2 3.93Å; Y187-F195 AromaticContact CD2-CE2 3.69Å; Y187-F195 HydrophobicContact CD2-CE2 3.69Å; Y187-F195 HydrophobicContact CD2-CZ 4.13Å; Y187-F195 HydrophobicContact CE2-CD2 4.06Å; Y187-F195 HydrophobicContact CE2-CE2 4.11Å; Y187-F203 HydrophobicContact CD2-CE1 4.27Å; Y187-F203 HydrophobicContact CD2-CZ 4.24Å; Y187-F203 HydrophobicContact CE2-CE1 4Å; Y187-F203 AromaticContact CE2-CZ 3.94Å; Y187-F203 HydrophobicContact CE2-CZ 3.94Å
188	Q	79.9	Confident	74.9	Confident	69 Å²	69	63.9 Å²	63.9	32%	0.322	31%	0.314	S	S	.	.			trans	-128.5	130.8	174.6	-69.2	176.1	-9.9	0	0	109.4	E139 P186 H190 H191 H192	E139-Q188 VanDerWaalsContact OE1-CA 3.24Å; E139-Q188 WeakPolarHBondContact OE1-CA 3.42Å; P186-Q188 PolarHBondContact O-N 3.49Å; Q188-H190 VanDerWaalsContact C-N 3.27Å; Q188-H190 PolarHBondContact O-N 3.48Å; Q188-H191 HydrophobicContact CB-CB 4.3Å; Q188-H191 CarbonylContact O-C 3.55Å; Q188-H191 PolarHBondContact O-N 3.08Å; Q188-H191 PolarHBondContact OE1-CE1 2.63Å; Q188-H191 VanDerWaalsContact OE1-CE1 3.27Å; Q188-H191 PolarHBondContact OE1-ND1 3.31Å; Q188-H192 PolarHBondContact O-N 3.2Å
189	K	77.9	Confident	75.2	Confident	68 Å²	68	62.5 Å²	62.5	30%	0.296	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-63.6	-32.6	-172.7	-177	176.3	-175.1	171	0	112.6	E132 E139 H191	E132-K189 WeakPolarHBondContact OE1-CE 3.47Å; E132-K189 IonicContact OE1-NZ 3.28Å; E132-K189 PolarHBondContact OE1-NZ 2.94Å; E139-K189 PolarHBondContact OE1-N 3.31Å; E139-K189 WeakPolarHBondContact OE2-CB 3.4Å; K189-H191 VanDerWaalsContact C-N 3.3Å; K189-H191 PolarHBondContact O-N 3.15Å
190	H	73.8	Confident	75.6	Confident	144 Å²	144	66.4 Å²	66.4	67%	0.667	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-73.1	-18.1	175.2	-66.7	-71.6	0	0	0	114.1	Q188	Q188-H190 VanDerWaalsContact C-N 3.27Å; Q188-H190 PolarHBondContact O-N 3.48Å
191	H	74.5	Confident	75.6	Confident	29 Å²	29	68.4 Å²	68.4	13%	0.134	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-111.8	21.2	-175.9	-59.5	150.4	0	0	0	112.7	Q188 K189 D193 C194 F195 V883	Q188-H191 HydrophobicContact CB-CB 4.3Å; Q188-H191 CarbonylContact O-C 3.55Å; Q188-H191 PolarHBondContact O-N 3.08Å; Q188-H191 PolarHBondContact OE1-CE1 2.63Å; Q188-H191 VanDerWaalsContact OE1-CE1 3.27Å; Q188-H191 PolarHBondContact OE1-ND1 3.31Å; K189-H191 VanDerWaalsContact C-N 3.3Å; K189-H191 PolarHBondContact O-N 3.15Å; H191-D193 PolarHBondContact O-N 3.08Å; H191-D193 VanDerWaalsContact O-N 3.14Å; H191-C194 VanDerWaalsContact O-CB 3.32Å; H191-C194 WeakPolarHBondContact O-CB 3.42Å; H191-C194 PolarHBondContact O-N 3.19Å; H191-C194 PolarHBondContact O-SG 3.47Å; H191-F195 WeakPolarHBondContact O-CD2 3.36Å; H191-V883 WeakPolarHBondContact CD2-CG1 3.42Å
192	H	75.1	Confident	75.8	Confident	55 Å²	55	74.1 Å²	74.1	26%	0.255	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-52.8	-37.3	-177.1	-174.1	69.7	0	0	0	114.1	W131 Y187 Q188 C194 F195	W131-H192 AromaticContact CZ2-CE1 3.65Å; Y187-H192 AromaticContact CE2-ND1 3.64Å; Y187-H192 AromaticContact CZ-ND1 3.78Å; Y187-H192 PolarHBondContact OH-ND1 2.83Å; Q188-H192 PolarHBondContact O-N 3.2Å; H192-C194 PolarHBondContact O-N 3.02Å; H192-C194 VanDerWaalsContact O-N 3.15Å; H192-F195 PolarHBondContact O-N 2.97Å
193	D	73.4	Confident	76.2	Confident	121 Å²	121	71.5 Å²	71.5	65%	0.647	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-65.6	-12.5	179.8	-71.3	-31.1	0	0	0	114.4	H191	H191-D193 PolarHBondContact O-N 3.08Å; H191-D193 VanDerWaalsContact O-N 3.14Å
194	C	73.1	Confident	76.8	Confident	33 Å²	33	71.1 Å²	71.1	22%	0.223	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-90.6	-11.1	-176	-40.5	0	0	0	0	113	I147 H191 H192 I879 V883	I147-C194 VanDerWaalsContact CG2-O 3.28Å; I147-C194 WeakPolarHBondContact CG2-O 3.48Å; H191-C194 VanDerWaalsContact O-CB 3.32Å; H191-C194 WeakPolarHBondContact O-CB 3.42Å; H191-C194 PolarHBondContact O-N 3.19Å; H191-C194 PolarHBondContact O-SG 3.47Å; H192-C194 PolarHBondContact O-N 3.02Å; H192-C194 VanDerWaalsContact O-N 3.15Å; C194-I879 HydrophobicContact CB-CG2 4.48Å; C194-V883 WeakPolarHBondContact SG-CG2 3.34Å
195	F	79.8	Confident	77.2	Confident	12 Å²	12	72.4 Å²	72.4	5%	0.053	34%	0.344	C	S	.	.	S	Bend	trans	-92.6	156.5	178.1	-61.6	-79.9	0	0	0	110.9	I145 I147 A185 Y187 H191 H192 K197 F203	I145-F195 HydrophobicContact CB-CD1 3.76Å; I145-F195 HydrophobicContact CB-CE1 4Å; I145-F195 HydrophobicContact CG2-CB 4.15Å; I145-F195 HydrophobicContact CG2-CD1 3.69Å; I145-F195 HydrophobicContact CG2-CE1 4.43Å; I145-F195 HydrophobicContact CG2-CG 4.09Å; I147-F195 HydrophobicContact CG1-CD1 3.88Å; I147-F195 HydrophobicContact CG1-CE1 3.99Å; A185-F195 HydrophobicContact CB-CE1 4.28Å; Y187-F195 AromaticContact CD2-CD2 3.93Å; Y187-F195 HydrophobicContact CD2-CD2 3.93Å; Y187-F195 AromaticContact CD2-CE2 3.69Å; Y187-F195 HydrophobicContact CD2-CE2 3.69Å; Y187-F195 HydrophobicContact CD2-CZ 4.13Å; Y187-F195 HydrophobicContact CE2-CD2 4.06Å; Y187-F195 HydrophobicContact CE2-CE2 4.11Å; H191-F195 WeakPolarHBondContact O-CD2 3.36Å; H192-F195 PolarHBondContact O-N 2.97Å; F195-K197 PolarHBondContact O-N 3.41Å; F195-F203 HydrophobicContact CB-CE2 4.01Å; F195-F203 HydrophobicContact CB-CZ 4.11Å
196	L	76	Confident	77.7	Confident	59 Å²	59	75 Å²	75	31%	0.309	36%	0.36	S	S	.	.			trans	-57.1	126.5	179.1	-96.9	150.9	0	0	0	111.6	P146 I147 H182 M198	P146-L196 HydrophobicContact CB-CD1 4.1Å; P146-L196 PolarHBondContact O-N 3.06Å; I147-L196 WeakPolarHBondContact O-CG 3.4Å; H182-L196 VanDerWaalsContact CD2-CD1 3.48Å; H182-L196 WeakPolarHBondContact CD2-CD1 3.5Å; L196-M198 VanDerWaalsContact C-N 3.34Å; L196-M198 PolarHBondContact O-N 3.44Å
197	K	68.9	Low	78.1	Confident	183 Å²	183	73.8 Å²	73.8	80%	0.796	35%	0.352	S	S	*	.			trans	-73.8	84.4	-176.6	-68.4	-176.9	-179.9	176.8	0	111.1	F195	F195-K197 PolarHBondContact O-N 3.41Å
198	M	69.3	Low	78.3	Confident	102 Å²	102	75.7 Å²	75.7	50%	0.502	36%	0.361	S	S	.	.			trans	-97.1	163.5	174	-54.7	-170.7	82	0	0	111.9	L196 K200 F203	L196-M198 VanDerWaalsContact C-N 3.34Å; L196-M198 PolarHBondContact O-N 3.44Å; M198-K200 PolarHBondContact O-N 3.05Å; M198-F203 HydrophobicContact CB-CB 4.47Å; M198-F203 HydrophobicContact CB-CD2 4.39Å
199	D	74.1	Confident	78.9	Confident	95 Å²	95	73 Å²	73	51%	0.508	35%	0.349	S	S	.	.			trans	-55.2	137.5	168.9	-54.8	-54.1	0	0	0	110.5	E201 R202 F203	D199-E201 PolarHBondContact O-N 3.31Å; D199-R202 HydrophobicContact CB-CB 4.28Å; D199-R202 HydrophobicContact CB-CG 4.25Å; D199-R202 PolarHBondContact O-N 2.7Å; D199-R202 WeakPolarHBondContact OD2-CD 3.34Å; D199-R202 IonicContact OD2-CZ 2.76Å; D199-R202 IonicContact OD2-NE 2.75Å; D199-R202 IonicContact OD2-NH1 2.67Å; D199-R202 PolarHBondContact OD2-NH1 3.39Å; D199-F203 PolarHBondContact O-N 2.73Å
200	K	75.7	Confident	79.6	Confident	145 Å²	145	70 Å²	70	63%	0.63	34%	0.336	S	S	*	.	H	α-helix	trans	-52.7	-35	-178.1	-65.6	177.2	-177.1	171.6	0	113.4	W131 M198 R202	W131-K200 HydrophobicContact CE3-CB 4.27Å; W131-K200 HydrophobicContact CZ3-CB 4.32Å; W131-K200 WeakPolarHBondContact CZ3-O 3.39Å; M198-K200 PolarHBondContact O-N 3.05Å; K200-R202 VanDerWaalsContact C-N 3.35Å
201	E	70.5	Confident	80.4	Confident	132 Å²	132	65 Å²	65	62%	0.617	31%	0.311	S	S	*	.	H	α-helix	trans	-75.5	-20.7	179.3	-66.2	174.7	-159.3	0	0	113.9	D199	D199-E201 PolarHBondContact O-N 3.31Å
202	R	76.1	Confident	81.1	Confident	176 Å²	176	63.6 Å²	63.6	66%	0.664	31%	0.305	S	S	*	.	H	α-helix	trans	-102	-22.7	-178.5	-66.5	-178.7	174.4	155.7	-9.4	113.4	D199 K200 F204	D199-R202 HydrophobicContact CB-CB 4.28Å; D199-R202 HydrophobicContact CB-CG 4.25Å; D199-R202 PolarHBondContact O-N 2.7Å; D199-R202 WeakPolarHBondContact OD2-CD 3.34Å; D199-R202 IonicContact OD2-CZ 2.76Å; D199-R202 IonicContact OD2-NE 2.75Å; D199-R202 IonicContact OD2-NH1 2.67Å; D199-R202 PolarHBondContact OD2-NH1 3.39Å; K200-R202 VanDerWaalsContact C-N 3.35Å; R202-F204 VanDerWaalsContact C-N 3.3Å; R202-F204 PolarHBondContact O-N 2.92Å
203	F	85.1	Confident	82	Confident	19 Å²	19	61 Å²	61	8%	0.083	29%	0.293	C	S	.	.	H	α-helix	trans	-58.6	-37.3	-178.8	-172.9	-91.3	0	0	0	113.1	W131 I145 Y187 F195 M198 D199	W131-F203 HydrophobicContact CH2-CB 4.1Å; W131-F203 AromaticContact CH2-CD1 3.57Å; W131-F203 HydrophobicContact CH2-CD1 3.57Å; W131-F203 HydrophobicContact CH2-CE1 4.09Å; W131-F203 AromaticContact CH2-CG 3.89Å; W131-F203 HydrophobicContact CH2-CG 3.89Å; W131-F203 HydrophobicContact CZ3-CB 4.11Å; W131-F203 AromaticContact CZ3-CD1 3.89Å; W131-F203 HydrophobicContact CZ3-CD1 3.89Å; W131-F203 HydrophobicContact CZ3-CG 4.27Å; I145-F203 HydrophobicContact CD1-CD1 4.19Å; I145-F203 HydrophobicContact CD1-CE1 3.42Å; I145-F203 VanDerWaalsContact CD1-CE1 3.42Å; I145-F203 HydrophobicContact CD1-CZ 3.85Å; I145-F203 HydrophobicContact CG2-CE1 4.23Å; I145-F203 HydrophobicContact CG2-CE2 3.99Å; I145-F203 HydrophobicContact CG2-CZ 3.73Å; Y187-F203 HydrophobicContact CD2-CE1 4.27Å; Y187-F203 HydrophobicContact CD2-CZ 4.24Å; Y187-F203 HydrophobicContact CE2-CE1 4Å; Y187-F203 AromaticContact CE2-CZ 3.94Å; Y187-F203 HydrophobicContact CE2-CZ 3.94Å; F195-F203 HydrophobicContact CB-CE2 4.01Å; F195-F203 HydrophobicContact CB-CZ 4.11Å; M198-F203 HydrophobicContact CB-CB 4.47Å; M198-F203 HydrophobicContact CB-CD2 4.39Å; D199-F203 PolarHBondContact O-N 2.73Å
204	F	88.1	Confident	82.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-111.8	124.8	169.1	-68.4	-70.2	0	0	0	110.4	W131 Q134 A138 I145 R202 M208 R209 M212	W131-F204 HydrophobicContact CE3-CD2 4.22Å; W131-F204 HydrophobicContact CE3-CE2 4.3Å; W131-F204 HydrophobicContact CH2-CD2 4.48Å; W131-F204 HydrophobicContact CH2-CE2 4.21Å; W131-F204 AromaticContact CZ3-CD2 3.67Å; W131-F204 HydrophobicContact CZ3-CD2 3.67Å; W131-F204 AromaticContact CZ3-CE2 3.75Å; W131-F204 HydrophobicContact CZ3-CE2 3.75Å; Q134-F204 HydrophobicContact CB-CD2 3.86Å; Q134-F204 HydrophobicContact CB-CE2 3.85Å; Q134-F204 VanDerWaalsContact OE1-CD2 3.22Å; A138-F204 HydrophobicContact CB-CE1 3.46Å; A138-F204 VanDerWaalsContact CB-CE1 3.46Å; A138-F204 HydrophobicContact CB-CZ 3.45Å; A138-F204 VanDerWaalsContact CB-CZ 3.45Å; I145-F204 HydrophobicContact CD1-CD1 4.25Å; I145-F204 HydrophobicContact CD1-CE1 3.51Å; I145-F204 HydrophobicContact CD1-CZ 3.94Å; R202-F204 VanDerWaalsContact C-N 3.3Å; R202-F204 PolarHBondContact O-N 2.92Å; F204-M208 HydrophobicContact CD1-SD 4.18Å; F204-R209 HydrophobicContact CB-CG 3.83Å; F204-M212 HydrophobicContact CD1-CE 3.63Å; F204-M212 HydrophobicContact CE1-CE 3.63Å; F204-M212 HydrophobicContact CG-CE 4.14Å; F204-M212 HydrophobicContact CZ-CE 4.15Å
205	T	87.5	Confident	83.4	Confident	36 Å²	36	57 Å²	57	22%	0.221	27%	0.268	C	S	.	.			trans	-65	154.3	178.1	68.4	0	0	0	0	111.6	S207 M208 R209	T205-S207 PolarHBondContact O-N 2.76Å; T205-S207 VanDerWaalsContact O-N 3.17Å; T205-S207 PolarHBondContact OG1-OG 3.03Å; T205-M208 PolarHBondContact O-N 2.79Å; T205-M208 VanDerWaalsContact O-N 3.1Å; T205-M208 WeakPolarHBondContact OG1-CG 3.39Å; T205-M208 PolarHBondContact OG1-N 2.68Å; T205-R209 WeakPolarHBondContact O-CG 3.25Å; T205-R209 PolarHBondContact O-N 2.74Å
206	P	89.1	Confident	83.8	Confident	60 Å²	60	56.5 Å²	56.5	39%	0.39	27%	0.266	S	S	.	.	H	α-helix	trans	-54.2	-34.6	171.9	-26.6	35.4	0	0	0	112.6	R209 S210	P206-R209 PolarHBondContact O-N 2.76Å; P206-S210 WeakPolarHBondContact O-CB 3.17Å; P206-S210 PolarHBondContact O-N 3.1Å; P206-S210 PolarHBondContact O-OG 3.05Å; P206-S210 VanDerWaalsContact O-OG 3.14Å
207	S	88.6	Confident	84.5	Confident	11 Å²	11	53.7 Å²	53.7	8%	0.077	25%	0.251	C	S	.	.	H	α-helix	trans	-65.8	-43.6	176	39.7	0	0	0	0	113.4	T205 R211 K290	T205-S207 PolarHBondContact O-N 2.76Å; T205-S207 VanDerWaalsContact O-N 3.17Å; T205-S207 PolarHBondContact OG1-OG 3.03Å; S207-R211 PolarHBondContact O-N 3.1Å; S207-K290 VanDerWaalsContact CB-O 3.28Å; S207-K290 WeakPolarHBondContact CB-O 3.31Å; S207-K290 PolarHBondContact OG-O 2.82Å
208	M	88.8	Confident	85.2	Confident	40 Å²	40	46 Å²	46	20%	0.197	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-43.4	171.9	-72.8	176.5	177.5	0	0	111.6	I143 F204 T205 R211 M212	I143-M208 HydrophobicContact CG2-CE 3.81Å; I143-M208 HydrophobicContact CG2-SD 3.81Å; F204-M208 HydrophobicContact CD1-SD 4.18Å; T205-M208 PolarHBondContact O-N 2.79Å; T205-M208 VanDerWaalsContact O-N 3.1Å; T205-M208 WeakPolarHBondContact OG1-CG 3.39Å; T205-M208 PolarHBondContact OG1-N 2.68Å; M208-R211 WeakPolarHBondContact O-CB 3.27Å; M208-R211 PolarHBondContact O-N 2.76Å; M208-M212 WeakPolarHBondContact O-CG 3.35Å; M208-M212 PolarHBondContact O-N 3.17Å
209	R	92.1	Very high	85.8	Confident	14 Å²	14	43.2 Å²	43.2	5%	0.053	20%	0.204	C	C	.	.	H	α-helix	trans	-67.1	-42	-178	-68	172.8	55	-177.5	-3.1	112.7	S69 D71 H128 F204 T205 P206 R211 M212 A213	S69-R209 VanDerWaalsContact OG-CZ 3.23Å; S69-R209 PolarHBondContact OG-NH1 2.93Å; S69-R209 VanDerWaalsContact OG-NH1 3.1Å; S69-R209 PolarHBondContact OG-NH2 3.08Å; D71-R209 WeakPolarHBondContact OD1-CB 3.32Å; D71-R209 IonicContact OD1-CZ 2.66Å; D71-R209 IonicContact OD1-NE 3.81Å; D71-R209 PolarHBondContact OD1-NE 3.22Å; D71-R209 IonicContact OD1-NH2 2.63Å; D71-R209 PolarHBondContact OD1-NH2 3.32Å; D71-R209 IonicContact OD2-CZ 2.74Å; D71-R209 IonicContact OD2-NE 2.7Å; D71-R209 PolarHBondContact OD2-NE 3.3Å; D71-R209 IonicContact OD2-NH2 3.1Å; D71-R209 PolarHBondContact OD2-NH2 2.91Å; H128-R209 PolarHBondContact CE1-NH2 3.01Å; H128-R209 VanDerWaalsContact CE1-NH2 3.29Å; H128-R209 PolarHBondContact ND1-NH2 3.05Å; F204-R209 HydrophobicContact CB-CG 3.83Å; T205-R209 WeakPolarHBondContact O-CG 3.25Å; T205-R209 PolarHBondContact O-N 2.74Å; P206-R209 PolarHBondContact O-N 2.76Å; R209-R211 VanDerWaalsContact C-N 3.28Å; R209-R211 PolarHBondContact O-N 3Å; R209-M212 WeakPolarHBondContact O-CB 3.22Å; R209-M212 PolarHBondContact O-N 2.99Å; R209-A213 PolarHBondContact O-N 3.25Å
210	S	92.6	Very high	86.3	Confident	4 Å²	4	38.7 Å²	38.7	3%	0.028	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-35.8	170.8	-65.4	0	0	0	0	112.6	D71 P206 N214 P247	D71-S210 PolarHBondContact O-OG 3.26Å; P206-S210 WeakPolarHBondContact O-CB 3.17Å; P206-S210 PolarHBondContact O-N 3.1Å; P206-S210 PolarHBondContact O-OG 3.05Å; P206-S210 VanDerWaalsContact O-OG 3.14Å; S210-N214 PolarHBondContact O-N 3.47Å; S210-P247 WeakPolarHBondContact OG-CB 3.44Å
211	R	89.6	Confident	86.6	Confident	39 Å²	39	32 Å²	32	15%	0.147	15%	0.151	C	C	.	.	H	α-helix	trans	-66.7	-43.9	175	-167.6	174.1	74.3	-150.5	2.3	111.8	S207 M208 R209 N214 F215 E294 P719	S207-R211 PolarHBondContact O-N 3.1Å; M208-R211 WeakPolarHBondContact O-CB 3.27Å; M208-R211 PolarHBondContact O-N 2.76Å; R209-R211 VanDerWaalsContact C-N 3.28Å; R209-R211 PolarHBondContact O-N 3Å; R211-N214 PolarHBondContact O-N 2.79Å; R211-F215 PolarHBondContact O-N 2.84Å; R211-E294 IonicContact NH1-OE1 3.03Å; R211-E294 IonicContact NH1-OE2 3.58Å; R211-P719 VanDerWaalsContact CD-O 3.24Å; R211-P719 WeakPolarHBondContact CD-O 3.43Å
212	M	90.5	Very high	87.2	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.3	-50	172.5	-65.5	167.8	177.5	0	0	111.5	Q134 A138 L141 I143 F204 M208 R209 N214 F215 I216	Q134-M212 HydrophobicContact CB-CE 4.33Å; Q134-M212 HydrophobicContact CB-SD 4Å; Q134-M212 HydrophobicContact CG-SD 4.12Å; Q134-M212 WeakPolarHBondContact O-CE 3.41Å; A138-M212 HydrophobicContact CB-CE 3.8Å; L141-M212 HydrophobicContact CD1-CG 4.31Å; I143-M212 HydrophobicContact CD1-CE 3.59Å; F204-M212 HydrophobicContact CD1-CE 3.63Å; F204-M212 HydrophobicContact CE1-CE 3.63Å; F204-M212 HydrophobicContact CG-CE 4.14Å; F204-M212 HydrophobicContact CZ-CE 4.15Å; M208-M212 WeakPolarHBondContact O-CG 3.35Å; M208-M212 PolarHBondContact O-N 3.17Å; R209-M212 WeakPolarHBondContact O-CB 3.22Å; R209-M212 PolarHBondContact O-N 2.99Å; M212-N214 VanDerWaalsContact C-N 3.34Å; M212-N214 PolarHBondContact O-N 2.82Å; M212-F215 WeakPolarHBondContact O-CB 3.01Å; M212-F215 PolarHBondContact O-N 2.9Å; M212-I216 WeakPolarHBondContact O-CG1 3.38Å; M212-I216 PolarHBondContact O-N 3.29Å; M212-I216 VanDerWaalsContact O-N 3.12Å
213	A	92.4	Very high	87.4	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-56.2	-48.4	179.6	0	0	0	0	0	111.5	F72 V129 R209 F215 I216 M217	F72-A213 HydrophobicContact CB-CB 4.35Å; F72-A213 HydrophobicContact CD2-CB 4.12Å; V129-A213 HydrophobicContact CG2-CB 3.74Å; R209-A213 PolarHBondContact O-N 3.25Å; A213-F215 PolarHBondContact O-N 3.39Å; A213-I216 PolarHBondContact O-N 2.9Å; A213-M217 HydrophobicContact CB-CE 4.28Å; A213-M217 WeakPolarHBondContact O-CG 3.32Å; A213-M217 PolarHBondContact O-N 3.19Å
214	N	90.3	Very high	86.9	Confident	39 Å²	39	19.4 Å²	19.4	21%	0.209	10%	0.1	C	C	.	.	H	α-helix	trans	-63.2	-40.8	178.4	-173.9	77.7	0	0	0	112.7	F72 S210 R211 M212 I216 M217 C218 L718	F72-N214 HydrophobicContact CE2-CB 3.98Å; F72-N214 HydrophobicContact CZ-CB 4.19Å; S210-N214 PolarHBondContact O-N 3.47Å; R211-N214 PolarHBondContact O-N 2.79Å; M212-N214 VanDerWaalsContact C-N 3.34Å; M212-N214 PolarHBondContact O-N 2.82Å; N214-I216 VanDerWaalsContact C-N 3.3Å; N214-I216 PolarHBondContact O-N 3.34Å; N214-M217 PolarHBondContact O-N 3.48Å; N214-C218 WeakPolarHBondContact O-CB 3.4Å; N214-C218 PolarHBondContact O-N 2.91Å; N214-C218 PolarHBondContact O-SG 2.88Å; N214-C218 VanDerWaalsContact O-SG 3.42Å; N214-L718 HydrophobicContact CB-CD1 3.81Å; N214-L718 HydrophobicContact CB-CD2 3.87Å; N214-L718 VanDerWaalsContact CG-CD2 3.49Å; N214-L718 VanDerWaalsContact ND2-CD2 3.3Å; N214-L718 WeakPolarHBondContact ND2-CD2 3.45Å
215	F	86.9	Confident	86	Confident	32 Å²	32	26.8 Å²	26.8	14%	0.14	13%	0.128	C	C	.	.	H	α-helix	trans	-57.1	-43.3	175.9	179.5	-95.7	0	0	0	112.2	Y137 V140 L141 R211 M212 A213 R219 P418	Y137-F215 AromaticContact CD1-CD1 3.77Å; Y137-F215 HydrophobicContact CD1-CD1 3.77Å; Y137-F215 AromaticContact CD1-CE1 3.86Å; Y137-F215 HydrophobicContact CD1-CE1 3.86Å; Y137-F215 AromaticContact CE1-CD1 3.93Å; Y137-F215 HydrophobicContact CE1-CD1 3.93Å; Y137-F215 AromaticContact CE1-CE1 3.85Å; Y137-F215 HydrophobicContact CE1-CE1 3.85Å; V140-F215 HydrophobicContact CG1-CE1 4.12Å; V140-F215 HydrophobicContact CG1-CZ 4.19Å; L141-F215 HydrophobicContact CD1-CB 4.46Å; L141-F215 HydrophobicContact CD1-CG 4.44Å; L141-F215 HydrophobicContact CD2-CD1 4.4Å; L141-F215 HydrophobicContact CD2-CD2 3.77Å; L141-F215 HydrophobicContact CD2-CE1 4.39Å; L141-F215 HydrophobicContact CD2-CE2 3.76Å; L141-F215 HydrophobicContact CD2-CG 4.09Å; L141-F215 HydrophobicContact CD2-CZ 4.08Å; R211-F215 PolarHBondContact O-N 2.84Å; M212-F215 WeakPolarHBondContact O-CB 3.01Å; M212-F215 PolarHBondContact O-N 2.9Å; A213-F215 PolarHBondContact O-N 3.39Å; F215-R219 PolarHBondContact O-N 2.7Å; F215-P418 HydrophobicContact CE2-CB 3.88Å; F215-P418 HydrophobicContact CE2-CG 4.01Å
216	I	88.6	Confident	85.2	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-65.3	-50	176.6	-60.1	162.2	0	0	0	110.4	L104 M107 L109 V133 Y137 M212 A213 N214 C218 R219 A220	L104-I216 HydrophobicContact CD2-CG2 4.46Å; M107-I216 HydrophobicContact CB-CG2 4.17Å; M107-I216 HydrophobicContact SD-CG2 3.78Å; L109-I216 HydrophobicContact CD1-CB 4.18Å; L109-I216 HydrophobicContact CD1-CD1 4.37Å; L109-I216 HydrophobicContact CD1-CG2 3.67Å; L109-I216 HydrophobicContact CD2-CD1 3.92Å; L109-I216 HydrophobicContact CG-CD1 4.32Å; L109-I216 HydrophobicContact CG-CG2 4.32Å; V133-I216 HydrophobicContact CG1-CD1 3.87Å; Y137-I216 HydrophobicContact CD1-CG1 4.08Å; Y137-I216 HydrophobicContact CD2-CD1 3.74Å; Y137-I216 HydrophobicContact CD2-CG1 4.1Å; Y137-I216 HydrophobicContact CE1-CD1 4.5Å; Y137-I216 HydrophobicContact CE1-CG1 3.8Å; Y137-I216 HydrophobicContact CE2-CD1 3.7Å; Y137-I216 HydrophobicContact CE2-CG1 3.81Å; Y137-I216 HydrophobicContact CG-CD1 4.16Å; Y137-I216 HydrophobicContact CG-CG1 4.22Å; M212-I216 WeakPolarHBondContact O-CG1 3.38Å; M212-I216 PolarHBondContact O-N 3.29Å; M212-I216 VanDerWaalsContact O-N 3.12Å; A213-I216 PolarHBondContact O-N 2.9Å; N214-I216 VanDerWaalsContact C-N 3.3Å; N214-I216 PolarHBondContact O-N 3.34Å; I216-C218 VanDerWaalsContact C-N 3.28Å; I216-C218 PolarHBondContact O-N 2.97Å; I216-R219 CarbonylContact O-C 3.5Å; I216-R219 PolarHBondContact O-N 3.14Å; I216-A220 PolarHBondContact O-N 2.79Å
217	M	89.4	Confident	84	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.1	-26.1	-179.1	-68.9	-176	-64.4	0	0	114	F72 L74 F100 L104 V127 A213 N214 R219 I233	F72-M217 HydrophobicContact CB-CE 3.99Å; F72-M217 HydrophobicContact CD1-CE 3.36Å; F72-M217 HydrophobicContact CD1-SD 4.46Å; F72-M217 HydrophobicContact CD2-CE 3.95Å; F72-M217 HydrophobicContact CE1-CE 3.64Å; F72-M217 HydrophobicContact CE2-CE 4.21Å; F72-M217 HydrophobicContact CG-CE 3.51Å; F72-M217 HydrophobicContact CZ-CE 4.06Å; L74-M217 HydrophobicContact CD1-SD 4.25Å; L74-M217 HydrophobicContact CD2-SD 3.86Å; L74-M217 HydrophobicContact CG-SD 4.41Å; F100-M217 HydrophobicContact CZ-CB 4.37Å; L104-M217 HydrophobicContact CD1-CG 4.23Å; L104-M217 HydrophobicContact CD2-CG 3.81Å; V127-M217 HydrophobicContact CG2-SD 4.47Å; A213-M217 HydrophobicContact CB-CE 4.28Å; A213-M217 WeakPolarHBondContact O-CG 3.32Å; A213-M217 PolarHBondContact O-N 3.19Å; N214-M217 PolarHBondContact O-N 3.48Å; M217-R219 VanDerWaalsContact C-N 3.31Å; M217-I233 HydrophobicContact CB-CB 4.27Å; M217-I233 HydrophobicContact CB-CD1 4.25Å; M217-I233 HydrophobicContact CB-CG2 4.11Å; M217-I233 WeakPolarHBondContact O-CB 3.43Å; M217-I233 PolarHBondContact O-N 3.04Å; M217-I233 HydrophobicContact SD-CD1 4.09Å
218	C	84.8	Confident	82.9	Confident	20 Å²	20	37.1 Å²	37.1	14%	0.135	20%	0.196	C	C	.	.	H	α-helix	trans	-72.1	-21.2	171	-79.1	0	0	0	0	113.4	N214 I216 G232 P421	N214-C218 WeakPolarHBondContact O-CB 3.4Å; N214-C218 PolarHBondContact O-N 2.91Å; N214-C218 PolarHBondContact O-SG 2.88Å; N214-C218 VanDerWaalsContact O-SG 3.42Å; I216-C218 VanDerWaalsContact C-N 3.28Å; I216-C218 PolarHBondContact O-N 2.97Å; C218-G232 VanDerWaalsContact O-CA 3.26Å; C218-G232 WeakPolarHBondContact O-CA 3.35Å; C218-P421 HydrophobicContact CB-CG 4.32Å; C218-P421 WeakPolarHBondContact O-CG 3.2Å
219	R	81.7	Confident	81.9	Confident	45 Å²	45	38.6 Å²	38.6	17%	0.17	20%	0.201	C	C	.	.	H	α-helix	trans	-108.1	-16.3	-179.1	-71.8	-176	152.5	65.1	21.4	114.3	F215 I216 M217 S419 D424	F215-R219 PolarHBondContact O-N 2.7Å; I216-R219 CarbonylContact O-C 3.5Å; I216-R219 PolarHBondContact O-N 3.14Å; M217-R219 VanDerWaalsContact C-N 3.31Å; R219-S419 PolarHBondContact NH2-O 3.04Å; R219-D424 IonicContact NH2-OD2 3.82Å
220	A	84.6	Confident	81.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.			trans	-63.7	134.6	179.8	0	0	0	0	0	113.3	F100 L104 M107 I216 F231 G232	F100-A220 HydrophobicContact CD2-CB 4.19Å; F100-A220 HydrophobicContact CE2-CB 3.62Å; F100-A220 HydrophobicContact CZ-CB 4.25Å; L104-A220 HydrophobicContact CD2-CB 3.54Å; M107-A220 HydrophobicContact CE-CB 4.41Å; M107-A220 HydrophobicContact SD-CB 3.78Å; I216-A220 PolarHBondContact O-N 2.79Å; A220-F231 VanDerWaalsContact O-CA 3.3Å; A220-F231 WeakPolarHBondContact O-CA 3.43Å; A220-F231 WeakPolarHBondContact O-CB 3.24Å; A220-G232 PolarHBondContact O-N 2.87Å
221	P	82.5	Confident	80.5	Confident	5 Å²	5	42.2 Å²	42.2	3%	0.032	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	147.6	177.5	31.1	-34	0	0	0	112.9	I40 C103 I224 K230	I40-P221 HydrophobicContact CD1-CG 3.96Å; I40-P221 HydrophobicContact CG2-CG 4.33Å; C103-P221 HydrophobicContact CB-CG 4.23Å; P221-I224 HydrophobicContact CB-CD1 4.34Å; P221-I224 HydrophobicContact CB-CG1 4.3Å; P221-K230 CarbonylContact C-O 3.55Å; P221-K230 WeakPolarHBondContact CA-O 3.31Å
222	Y	83	Confident	80.1	Confident	8 Å²	8	40.4 Å²	40.4	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	-14.9	178	73.9	-102.5	0	0	0	114.5	R96 Y99 K230 F231 K235 L236	R96-Y222 HydrophobicContact CB-CD2 4.46Å; R96-Y222 HydrophobicContact CG-CD2 4.16Å; Y99-Y222 VanDerWaalsContact CD1-C 3.5Å; Y99-Y222 WeakPolarHBondContact CD1-O 3.27Å; Y222-K230 HydrophobicContact CD1-CB 4.37Å; Y222-K230 HydrophobicContact CE1-CB 3.82Å; Y222-K230 HydrophobicContact CE2-CB 3.99Å; Y222-K230 HydrophobicContact CE2-CD 4.38Å; Y222-K230 PolarHBondContact N-O 2.92Å; Y222-F231 WeakPolarHBondContact CE1-O 3.14Å; Y222-K235 HydrophobicContact CE1-CB 4.14Å; Y222-K235 HydrophobicContact CE1-CD 4.42Å; Y222-K235 HydrophobicContact CE1-CG 4.42Å; Y222-K235 WeakPolarHBondContact OH-CD 3.4Å; Y222-L236 HydrophobicContact CD1-CD2 3.99Å; Y222-L236 HydrophobicContact CD1-CG 4.08Å; Y222-L236 HydrophobicContact CD2-CD2 3.72Å; Y222-L236 HydrophobicContact CE1-CD2 4.41Å; Y222-L236 HydrophobicContact CE2-CD2 4.17Å; Y222-L236 HydrophobicContact CG-CD1 4.39Å; Y222-L236 HydrophobicContact CG-CD2 3.63Å; Y222-L236 HydrophobicContact CG-CG 4.13Å
223	E	80.1	Confident	79.9	Confident	22 Å²	22	40.6 Å²	40.6	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	111.9	173.5	-178.9	175.5	-156.5	0	0	109.4	R96 R225 K230	R96-E223 IonicContact CZ-OE2 3.73Å; R96-E223 IonicContact NE-OE2 2.7Å; R96-E223 PolarHBondContact NE-OE2 3.27Å; R96-E223 IonicContact NH2-OE2 3.83Å; R96-E223 PolarHBondContact NH2-OE2 3.39Å; E223-R225 HydrophobicContact CG-CG 4.34Å; E223-R225 IonicContact OE1-CZ 2.75Å; E223-R225 VanDerWaalsContact OE1-CZ 3.24Å; E223-R225 IonicContact OE1-NE 2.7Å; E223-R225 PolarHBondContact OE1-NE 3.2Å; E223-R225 IonicContact OE1-NH2 3.82Å; E223-R225 PolarHBondContact OE1-NH2 2.77Å; E223-K230 HydrophobicContact CB-CB 4.31Å; E223-K230 HydrophobicContact CB-CD 4.23Å; E223-K230 HydrophobicContact CG-CD 4.42Å; E223-K230 PolarHBondContact N-O 2.77Å; E223-K230 WeakPolarHBondContact O-CB 3.36Å; E223-K230 PolarHBondContact O-N 3.04Å; E223-K230 IonicContact OE1-NZ 3.03Å; E223-K230 WeakPolarHBondContact OE2-CD 2.87Å; E223-K230 IonicContact OE2-NZ 2.7Å; E223-K230 PolarHBondContact OE2-NZ 3.12Å
224	I	74.3	Confident	79.5	Confident	31 Å²	31	43 Å²	43	16%	0.159	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.3	171.3	-57.2	-175	0	0	0	108.9	A42 Y99 P221 K229	A42-I224 HydrophobicContact CB-CG2 4.32Å; Y99-I224 HydrophobicContact CE1-CG1 4.41Å; Y99-I224 WeakPolarHBondContact OH-CD1 3.28Å; Y99-I224 WeakPolarHBondContact OH-CG1 3.32Å; P221-I224 HydrophobicContact CB-CD1 4.34Å; P221-I224 HydrophobicContact CB-CG1 4.3Å; I224-K229 HydrophobicContact CD1-CG 4.26Å; I224-K229 HydrophobicContact CG1-CG 4.15Å; I224-K229 HydrophobicContact CG2-CG 4.22Å
225	R	69.8	Low	79.2	Confident	156 Å²	156	46.1 Å²	46.1	59%	0.589	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	100.2	172.4	-65.6	-169.8	-169.8	-144.2	0.2	110.1	E223 N227 V228	E223-R225 HydrophobicContact CG-CG 4.34Å; E223-R225 IonicContact OE1-CZ 2.75Å; E223-R225 VanDerWaalsContact OE1-CZ 3.24Å; E223-R225 IonicContact OE1-NE 2.7Å; E223-R225 PolarHBondContact OE1-NE 3.2Å; E223-R225 IonicContact OE1-NH2 3.82Å; E223-R225 PolarHBondContact OE1-NH2 2.77Å; R225-N227 PolarHBondContact O-N 2.88Å; R225-V228 PolarHBondContact N-O 3.39Å; R225-V228 PolarHBondContact O-N 2.96Å
226	G	69.8	Low	79.3	Confident	66 Å²	66	44.6 Å²	44.6	68%	0.68	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	-130	-169.7	0	0	0	0	0	110.1	V228	G226-V228 PolarHBondContact O-N 3.26Å
227	N	64	Low	79.3	Confident	170 Å²	170	47.1 Å²	47.1	91%	0.909	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-14.9	179.2	-62	3.5	0	0	0	113.7	R225 K229	R225-N227 PolarHBondContact O-N 2.88Å; N227-K229 PolarHBondContact O-N 3.28Å
228	V	65.2	Low	79.1	Confident	87 Å²	87	51.7 Å²	51.7	53%	0.527	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	92.1	-179.2	-174.4	0	0	0	0	110.4	R225 G226 K230	R225-V228 PolarHBondContact N-O 3.39Å; R225-V228 PolarHBondContact O-N 2.96Å; G226-V228 PolarHBondContact O-N 3.26Å; V228-K230 HydrophobicContact CG1-CG 4.38Å
229	K	67.9	Low	79.1	Confident	72 Å²	72	53.7 Å²	53.7	31%	0.313	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	133.3	166.7	-65	-176	174.4	-179.2	0	110.1	Y37 Y38 I224 N227	Y37-K229 PolarHBondContact O-NZ 2.94Å; Y38-K229 PolarHBondContact O-NZ 3.18Å; I224-K229 HydrophobicContact CD1-CG 4.26Å; I224-K229 HydrophobicContact CG1-CG 4.15Å; I224-K229 HydrophobicContact CG2-CG 4.22Å; N227-K229 PolarHBondContact O-N 3.28Å
230	K	77.1	Confident	79.4	Confident	55 Å²	55	54 Å²	54	24%	0.239	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.7	170.1	-51.5	179.3	-160.6	167.2	0	109.4	P221 Y222 E223 V228	P221-K230 CarbonylContact C-O 3.55Å; P221-K230 WeakPolarHBondContact CA-O 3.31Å; Y222-K230 HydrophobicContact CD1-CB 4.37Å; Y222-K230 HydrophobicContact CE1-CB 3.82Å; Y222-K230 HydrophobicContact CE2-CB 3.99Å; Y222-K230 HydrophobicContact CE2-CD 4.38Å; Y222-K230 PolarHBondContact N-O 2.92Å; E223-K230 HydrophobicContact CB-CB 4.31Å; E223-K230 HydrophobicContact CB-CD 4.23Å; E223-K230 HydrophobicContact CG-CD 4.42Å; E223-K230 PolarHBondContact N-O 2.77Å; E223-K230 WeakPolarHBondContact O-CB 3.36Å; E223-K230 PolarHBondContact O-N 3.04Å; E223-K230 IonicContact OE1-NZ 3.03Å; E223-K230 WeakPolarHBondContact OE2-CD 2.87Å; E223-K230 IonicContact OE2-NZ 2.7Å; E223-K230 PolarHBondContact OE2-NZ 3.12Å; V228-K230 HydrophobicContact CG1-CG 4.38Å
231	F	78.8	Confident	79.6	Confident	39 Å²	39	54.2 Å²	54.2	17%	0.171	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	169.7	-167.7	57.8	-81.5	0	0	0	111.5	A220 Y222 P421 D424 A425	A220-F231 VanDerWaalsContact O-CA 3.3Å; A220-F231 WeakPolarHBondContact O-CA 3.43Å; A220-F231 WeakPolarHBondContact O-CB 3.24Å; Y222-F231 WeakPolarHBondContact CE1-O 3.14Å; F231-P421 HydrophobicContact CD2-CB 4.22Å; F231-P421 HydrophobicContact CE2-CB 3.76Å; F231-D424 HydrophobicContact CE2-CB 4.19Å; F231-D424 HydrophobicContact CZ-CB 3.74Å; F231-A425 HydrophobicContact CE1-CB 3.95Å; F231-A425 HydrophobicContact CZ-CB 3.86Å
232	G	80.9	Confident	80	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.298	C	S	.	.			trans	89.8	123.9	172.1	0	0	0	0	0	114.9	C218 A220 T234 K235	C218-G232 VanDerWaalsContact O-CA 3.26Å; C218-G232 WeakPolarHBondContact O-CA 3.35Å; A220-G232 PolarHBondContact O-N 2.87Å; G232-T234 VanDerWaalsContact C-N 3.26Å; G232-T234 PolarHBondContact O-N 3.39Å; G232-K235 PolarHBondContact O-N 3.2Å
233	I	86.6	Confident	80.4	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-58.7	-31.1	178.2	-168.7	165.4	0	0	0	114.2	L74 F100 M217 K235 L236 L237 A245	L74-I233 HydrophobicContact CD2-CD1 3.5Å; L74-I233 VanDerWaalsContact CD2-CD1 3.5Å; F100-I233 HydrophobicContact CZ-CB 4.04Å; F100-I233 HydrophobicContact CZ-CG1 4.42Å; M217-I233 HydrophobicContact CB-CB 4.27Å; M217-I233 HydrophobicContact CB-CD1 4.25Å; M217-I233 HydrophobicContact CB-CG2 4.11Å; M217-I233 WeakPolarHBondContact O-CB 3.43Å; M217-I233 PolarHBondContact O-N 3.04Å; M217-I233 HydrophobicContact SD-CD1 4.09Å; I233-K235 PolarHBondContact O-N 2.99Å; I233-L236 WeakPolarHBondContact O-CB 3.41Å; I233-L236 PolarHBondContact O-N 3.13Å; I233-L237 HydrophobicContact CG1-CD1 4.2Å; I233-L237 HydrophobicContact CG1-CG 4.3Å; I233-L237 WeakPolarHBondContact O-CG 3.47Å; I233-L237 PolarHBondContact O-N 3.19Å; I233-A245 HydrophobicContact CD1-CB 3.55Å; I233-A245 HydrophobicContact CG1-CB 4.38Å
234	T	84.4	Confident	80.9	Confident	51 Å²	51	57.8 Å²	57.8	31%	0.313	32%	0.315	S	S	.	.	H	α-helix	trans	-56.5	-36.2	178.1	55.6	0	0	0	0	112.2	G232 N238	G232-T234 VanDerWaalsContact C-N 3.26Å; G232-T234 PolarHBondContact O-N 3.39Å; T234-N238 WeakPolarHBondContact O-CB 3.48Å; T234-N238 PolarHBondContact O-N 3.44Å; T234-N238 PolarHBondContact O-ND2 3.48Å
235	K	83.9	Confident	81.8	Confident	104 Å²	104	57.6 Å²	57.6	45%	0.452	32%	0.318	S	S	.	.	H	α-helix	trans	-77	-30.2	178.8	-155	157.4	-173.3	160.4	0	112.3	Y222 G232 I233 T239	Y222-K235 HydrophobicContact CE1-CB 4.14Å; Y222-K235 HydrophobicContact CE1-CD 4.42Å; Y222-K235 HydrophobicContact CE1-CG 4.42Å; Y222-K235 WeakPolarHBondContact OH-CD 3.4Å; G232-K235 PolarHBondContact O-N 3.2Å; I233-K235 PolarHBondContact O-N 2.99Å; K235-T239 WeakPolarHBondContact O-CB 3.38Å; K235-T239 WeakPolarHBondContact O-CG2 3.46Å; K235-T239 PolarHBondContact O-N 3.26Å; K235-T239 VanDerWaalsContact O-N 3.12Å; K235-T239 PolarHBondContact O-OG1 2.81Å
236	L	87.6	Confident	83	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-70.4	-37.6	171.7	-64.5	178	0	0	0	112	F100 Y222 I233 T239 G240 V241 Y242	F100-L236 HydrophobicContact CB-CD1 4.13Å; F100-L236 HydrophobicContact CD1-CD1 3.77Å; F100-L236 HydrophobicContact CD2-CD1 3.68Å; F100-L236 HydrophobicContact CE1-CD1 3.99Å; F100-L236 HydrophobicContact CE2-CD1 3.89Å; F100-L236 HydrophobicContact CG-CD1 3.59Å; F100-L236 HydrophobicContact CZ-CD1 4.06Å; Y222-L236 HydrophobicContact CD1-CD2 3.99Å; Y222-L236 HydrophobicContact CD1-CG 4.08Å; Y222-L236 HydrophobicContact CD2-CD2 3.72Å; Y222-L236 HydrophobicContact CE1-CD2 4.41Å; Y222-L236 HydrophobicContact CE2-CD2 4.17Å; Y222-L236 HydrophobicContact CG-CD1 4.39Å; Y222-L236 HydrophobicContact CG-CD2 3.63Å; Y222-L236 HydrophobicContact CG-CG 4.13Å; I233-L236 WeakPolarHBondContact O-CB 3.41Å; I233-L236 PolarHBondContact O-N 3.13Å; L236-T239 PolarHBondContact O-OG1 2.92Å; L236-G240 PolarHBondContact O-N 3.04Å; L236-G240 VanDerWaalsContact O-N 3.17Å; L236-V241 HydrophobicContact CB-CB 4.16Å; L236-V241 HydrophobicContact CD2-CB 4.02Å; L236-V241 HydrophobicContact CD2-CG1 4.16Å; L236-V241 HydrophobicContact CD2-CG2 3.88Å; L236-V241 PolarHBondContact O-N 3.03Å; L236-Y242 HydrophobicContact CB-CD2 4.02Å; L236-Y242 HydrophobicContact CD1-CD2 4.14Å; L236-Y242 HydrophobicContact CD1-CE2 4Å; L236-Y242 PolarHBondContact O-N 3.37Å
237	L	88.8	Confident	84.2	Confident	55 Å²	55	47.7 Å²	47.7	29%	0.288	26%	0.26	S	S	.	.	H	α-helix	trans	-68	-51.8	172.8	-67.9	165.7	0	0	0	111.4	I233 T239 G240 A245	I233-L237 HydrophobicContact CG1-CD1 4.2Å; I233-L237 HydrophobicContact CG1-CG 4.3Å; I233-L237 WeakPolarHBondContact O-CG 3.47Å; I233-L237 PolarHBondContact O-N 3.19Å; L237-T239 PolarHBondContact O-N 3.08Å; L237-T239 VanDerWaalsContact O-N 3.13Å; L237-G240 PolarHBondContact O-N 2.88Å; L237-A245 HydrophobicContact CD1-CB 4.13Å; L237-A245 HydrophobicContact CD2-CB 4.29Å
238	N	85.8	Confident	85.6	Confident	95 Å²	95	40 Å²	40	51%	0.508	22%	0.22	S	C	.	.	H	α-helix	trans	-60.9	-23.3	178.4	-70.1	-14.2	0	0	0	113.2	T234 K664	T234-N238 WeakPolarHBondContact O-CB 3.48Å; T234-N238 PolarHBondContact O-N 3.44Å; T234-N238 PolarHBondContact O-ND2 3.48Å; N238-K664 PolarHBondContact OD1-NZ 2.94Å
239	T	85.6	Confident	86.9	Confident	63 Å²	63	35.8 Å²	35.8	39%	0.387	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	1.4	174.9	56	0	0	0	0	114	H93 K235 L236 L237 V241	H93-T239 PolarHBondContact CE1-O 3.13Å; H93-T239 VanDerWaalsContact CE1-O 3.25Å; K235-T239 WeakPolarHBondContact O-CB 3.38Å; K235-T239 WeakPolarHBondContact O-CG2 3.46Å; K235-T239 PolarHBondContact O-N 3.26Å; K235-T239 VanDerWaalsContact O-N 3.12Å; K235-T239 PolarHBondContact O-OG1 2.81Å; L236-T239 PolarHBondContact O-OG1 2.92Å; L237-T239 PolarHBondContact O-N 3.08Å; L237-T239 VanDerWaalsContact O-N 3.13Å; T239-V241 PolarHBondContact O-N 2.8Å
240	G	86.1	Confident	87.9	Confident	51 Å²	51	32.6 Å²	32.6	53%	0.526	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	23.7	177.8	0	0	0	0	0	115.4	L236 L237	L236-G240 PolarHBondContact O-N 3.04Å; L236-G240 VanDerWaalsContact O-N 3.17Å; L237-G240 PolarHBondContact O-N 2.88Å
241	V	89.4	Confident	88.5	Confident	5 Å²	5	30 Å²	30	3%	0.03	17%	0.169	C	C	.	.	S	Bend	trans	-70.8	-40.3	166.6	-179.9	0	0	0	0	110.1	H93 R97 L236 T239	H93-V241 HydrophobicContact CB-CG2 4.29Å; H93-V241 WeakPolarHBondContact ND1-CG2 3.38Å; R97-V241 HydrophobicContact CB-CG1 4Å; L236-V241 HydrophobicContact CB-CB 4.16Å; L236-V241 HydrophobicContact CD2-CB 4.02Å; L236-V241 HydrophobicContact CD2-CG1 4.16Å; L236-V241 HydrophobicContact CD2-CG2 3.88Å; L236-V241 PolarHBondContact O-N 3.03Å; T239-V241 PolarHBondContact O-N 2.8Å
242	Y	91.8	Very high	89	Confident	1 Å²	1	30.8 Å²	30.8	0%	0.004	17%	0.171	C	C	.	.	S	Bend	trans	-113.1	144.5	165.9	-72.9	-71.7	0	0	0	108.7	L74 V75 Y76 R97 F100 E101 L236	L74-Y242 HydrophobicContact CB-CD1 4.02Å; L74-Y242 HydrophobicContact CB-CE1 3.76Å; L74-Y242 HydrophobicContact CD1-CE1 4.07Å; L74-Y242 HydrophobicContact CD1-CE2 4.29Å; V75-Y242 CarbonylContact O-C 3.6Å; Y76-Y242 HydrophobicContact CD1-CD1 4.42Å; Y76-Y242 HydrophobicContact CD1-CE1 4.03Å; R97-Y242 HydrophobicContact CG-CE1 4.15Å; R97-Y242 HydrophobicContact CG-CE2 4.48Å; R97-Y242 WeakPolarHBondContact CG-OH 3.48Å; F100-Y242 AromaticContact CD1-CE2 3.78Å; F100-Y242 HydrophobicContact CD1-CE2 3.78Å; F100-Y242 AromaticContact CE1-CE2 3.99Å; F100-Y242 HydrophobicContact CE1-CE2 3.99Å; E101-Y242 PolarHBondContact OE1-OH 3.39Å; L236-Y242 HydrophobicContact CB-CD2 4.02Å; L236-Y242 HydrophobicContact CD1-CD2 4.14Å; L236-Y242 HydrophobicContact CD1-CE2 4Å; L236-Y242 PolarHBondContact O-N 3.37Å
243	K	89.9	Confident	89.4	Confident	103 Å²	103	33.3 Å²	33.3	45%	0.448	18%	0.182	S	C	.	.	S	Bend	trans	-79.5	-38.4	171.6	-86.8	-173	166.7	171.6	0	112.3	V75 E77 L122 F657	V75-K243 PolarHBondContact O-N 3.32Å; E77-K243 HydrophobicContact CG-CD 3.88Å; E77-K243 VanDerWaalsContact CG-NZ 3.25Å; E77-K243 VanDerWaalsContact OE1-CE 3.28Å; E77-K243 WeakPolarHBondContact OE1-CE 3.47Å; E77-K243 IonicContact OE1-NZ 2.71Å; E77-K243 PolarHBondContact OE1-NZ 2.75Å; E77-K243 IonicContact OE2-NZ 2.74Å; L122-K243 HydrophobicContact CD2-CD 4.04Å; K243-F657 HydrophobicContact CD-CZ 4.31Å
244	A	92	Very high	89.5	Confident	5 Å²	5	37.6 Å²	37.6	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	153.4	-175.6	0	0	0	0	0	111.2	V75 Y246 F657	V75-A244 HydrophobicContact CB-CB 4.24Å; V75-A244 HydrophobicContact CG2-CB 4.18Å; V75-A244 PolarHBondContact N-O 3.15Å; V75-A244 PolarHBondContact O-N 3.25Å; A244-Y246 HydrophobicContact CB-CD1 3.94Å; A244-Y246 HydrophobicContact CB-CE1 3.85Å; A244-F657 HydrophobicContact CB-CD2 4.23Å; A244-F657 HydrophobicContact CB-CE2 3.88Å
245	A	93.5	Very high	89.7	Confident	28 Å²	28	38.6 Å²	38.6	23%	0.231	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	128	167.5	0	0	0	0	0	107.3	F72 I73 L74 I233 L237	F72-A245 HydrophobicContact CE1-CB 3.95Å; I73-A245 VanDerWaalsContact O-CA 3.31Å; I73-A245 WeakPolarHBondContact O-CA 3.38Å; L74-A245 HydrophobicContact CD2-CB 3.54Å; I233-A245 HydrophobicContact CD1-CB 3.55Å; I233-A245 HydrophobicContact CG1-CB 4.38Å; L237-A245 HydrophobicContact CD1-CB 4.13Å; L237-A245 HydrophobicContact CD2-CB 4.29Å
246	Y	93.9	Very high	89.8	Confident	9 Å²	9	40 Å²	40	4%	0.035	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	154	-177.9	52.9	-81.9	0	0	0	111.4	F72 I73 V75 A244 W653 D656 F657	F72-Y246 WeakPolarHBondContact CD1-O 3.49Å; I73-Y246 HydrophobicContact CB-CE2 4.15Å; I73-Y246 HydrophobicContact CD1-CD2 4.21Å; I73-Y246 HydrophobicContact CD1-CE2 3.6Å; I73-Y246 HydrophobicContact CG2-CE1 4.32Å; I73-Y246 HydrophobicContact CG2-CE2 4.36Å; I73-Y246 PolarHBondContact N-O 3.25Å; I73-Y246 PolarHBondContact O-N 2.83Å; I73-Y246 VanDerWaalsContact O-N 3.07Å; V75-Y246 HydrophobicContact CG2-CE1 3.77Å; A244-Y246 HydrophobicContact CB-CD1 3.94Å; A244-Y246 HydrophobicContact CB-CE1 3.85Å; Y246-W653 PolarHBondContact OH-O 2.87Å; Y246-D656 HydrophobicContact CE2-CB 3.96Å; Y246-F657 HydrophobicContact CE1-CD2 4.18Å; Y246-F657 WeakPolarHBondContact OH-CB 3.41Å
247	P	94.8	Very high	89.6	Confident	4 Å²	4	40.2 Å²	40.2	3%	0.026	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-76.1	147.2	168.2	31.3	-31.9	0	0	0	111.1	F72 S210 R716	F72-P247 HydrophobicContact CD2-CB 4.14Å; F72-P247 HydrophobicContact CE2-CB 4.17Å; F72-P247 HydrophobicContact CE2-CG 4.33Å; S210-P247 WeakPolarHBondContact OG-CB 3.44Å; P247-R716 HydrophobicContact CG-CB 4.16Å; P247-R716 HydrophobicContact CG-CG 4.19Å; P247-R716 WeakPolarHBondContact O-CB 3.42Å
248	P	92.9	Very high	89	Confident	8 Å²	8	43.7 Å²	43.7	5%	0.052	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-69.9	147.9	175.4	26.7	-32.3	0	0	0	112.6	L61 V70 I73 R716	L61-P248 HydrophobicContact CD2-CB 4.36Å; V70-P248 HydrophobicContact CB-CG 4.44Å; V70-P248 HydrophobicContact CG1-CG 4.25Å; V70-P248 VanDerWaalsContact O-CG 3.28Å; V70-P248 WeakPolarHBondContact O-CG 3.5Å; I73-P248 HydrophobicContact CD1-CB 3.84Å; I73-P248 HydrophobicContact CD1-CG 4.41Å; P248-R716 WeakPolarHBondContact O-CD 3.39Å; P248-R716 PolarHBondContact O-NH1 2.91Å
249	H	92.9	Very high	88.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-79.8	142.1	159	-68.9	-84.5	0	0	0	110.4	C251 R266 Y291 R652 D656 F714 R715 R716	H249-C251 PolarHBondContact O-N 2.99Å; H249-R266 VanDerWaalsContact CB-NH1 3.3Å; H249-R266 VanDerWaalsContact CD2-CZ 3.43Å; H249-R266 PolarHBondContact CD2-NH1 3.35Å; H249-R266 VanDerWaalsContact CD2-NH1 3.34Å; H249-R266 PolarHBondContact CD2-NH2 2.83Å; H249-R266 VanDerWaalsContact CG-CZ 3.48Å; H249-R266 PolarHBondContact NE2-NH2 3.45Å; H249-R266 VanDerWaalsContact NE2-NH2 3.16Å; H249-Y291 AromaticContact ND1-CZ 3.87Å; H249-Y291 PolarHBondContact ND1-OH 3.13Å; H249-R652 PolarHBondContact O-NE 2.86Å; H249-R652 VanDerWaalsContact O-NE 3.12Å; H249-R652 PolarHBondContact O-NH2 2.79Å; H249-D656 WeakPolarHBondContact CB-OD2 3.43Å; H249-D656 IonicContact CD2-OD1 3.37Å; H249-D656 IonicContact CD2-OD2 2.69Å; H249-D656 IonicContact CG-OD2 3.72Å; H249-D656 PolarHBondContact N-OD2 2.77Å; H249-F714 PolarHBondContact NE2-O 2.93Å; H249-R715 VanDerWaalsContact NE2-C 3.32Å; H249-R716 VanDerWaalsContact CE1-CA 3.49Å; H249-R716 WeakPolarHBondContact CE1-CA 3.44Å; H249-R716 PolarHBondContact CE1-N 2.86Å; H249-R716 PolarHBondContact NE2-N 2.88Å
250	D	89.4	Confident	87.8	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	26%	0.258	C	S	.	.	S	Bend	trans	-58	-47.9	-174.9	-47.3	-2.5	0	0	0	113.4	L61 C262 P263 Y291 R652 R716	L61-D250 HydrophobicContact CD1-CB 3.93Å; L61-D250 WeakPolarHBondContact CD1-O 3.49Å; L61-D250 WeakPolarHBondContact CD2-O 3.49Å; D250-C262 PolarHBondContact O-SG 2.88Å; D250-P263 HydrophobicContact CB-CG 4.32Å; D250-P263 VanDerWaalsContact CB-O 3.26Å; D250-P263 WeakPolarHBondContact CB-O 3.45Å; D250-Y291 WeakPolarHBondContact OD2-CE2 2.72Å; D250-R652 PolarHBondContact O-NE 2.8Å; D250-R716 IonicContact OD1-CZ 2.9Å; D250-R716 IonicContact OD1-NH1 2.91Å; D250-R716 PolarHBondContact OD1-NH1 3.11Å; D250-R716 IonicContact OD1-NH2 3.48Å
251	C	89.4	Confident	87.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-144	176.8	-173.5	47.9	0	0	0	0	112.2	H249 R266	H249-C251 PolarHBondContact O-N 2.99Å; C251-R266 WeakPolarHBondContact O-CD 3.44Å; C251-R266 PolarHBondContact O-NH1 3.3Å
252	R	89.3	Confident	86.3	Confident	56 Å²	56	49.1 Å²	49.1	21%	0.211	26%	0.259	C	S	.	.			trans	-68.7	144.5	166.3	-66.2	175.3	176.4	170.4	2.6	109.5	D59 N254 V255 E649	D59-R252 IonicContact OD1-NE 2.68Å; R252-N254 PolarHBondContact O-N 2.94Å; R252-V255 HydrophobicContact CB-CB 4.49Å; R252-E649 IonicContact CZ-OE2 2.97Å; R252-E649 IonicContact NH1-OE2 2.75Å; R252-E649 PolarHBondContact NH1-OE2 2.86Å; R252-E649 IonicContact NH2-OE2 3.48Å; R252-E649 PolarHBondContact NH2-OE2 3.44Å
253	F	89.8	Confident	85.6	Confident	53 Å²	53	51.5 Å²	51.5	23%	0.232	27%	0.274	C	S	.	.	S	Bend	trans	-74	-26.2	-176.2	62.8	-96.4	0	0	0	113.5	R266 Y270 T711 T712	F253-R266 HydrophobicContact CB-CG 4.26Å; F253-Y270 HydrophobicContact CB-CG 4.3Å; F253-Y270 HydrophobicContact CD2-CD1 4.28Å; F253-Y270 HydrophobicContact CD2-CD2 4.14Å; F253-Y270 HydrophobicContact CD2-CE1 4.2Å; F253-Y270 HydrophobicContact CD2-CE2 4.06Å; F253-Y270 HydrophobicContact CD2-CG 4.25Å; F253-Y270 WeakPolarHBondContact O-CB 3.48Å; F253-Y270 WeakPolarHBondContact O-CD1 3.48Å; F253-T711 HydrophobicContact CB-CG2 4.3Å; F253-T712 HydrophobicContact CB-CG2 4.28Å; F253-T712 HydrophobicContact CD1-CG2 4.12Å; F253-T712 HydrophobicContact CD2-CG2 3.62Å; F253-T712 HydrophobicContact CE1-CG2 4.38Å; F253-T712 HydrophobicContact CE2-CG2 3.92Å; F253-T712 HydrophobicContact CG-CG2 3.75Å; F253-T712 HydrophobicContact CZ-CG2 4.3Å
254	N	89.1	Confident	85.5	Confident	94 Å²	94	48.2 Å²	48.2	50%	0.503	26%	0.261	S	S	.	.	S	Bend	trans	-101.8	-18.6	-173.5	60.1	-26.4	0	0	0	114.4	R252	R252-N254 PolarHBondContact O-N 2.94Å
255	V	87.6	Confident	85.4	Confident	72 Å²	72	49.5 Å²	49.5	44%	0.436	27%	0.266	S	S	.	.	S	Bend	trans	-128.1	131.8	-175.5	179.7	0	0	0	0	108.8	R252	R252-V255 HydrophobicContact CB-CB 4.49Å
256	K	85.9	Confident	85.4	Confident	134 Å²	134	48.4 Å²	48.4	58%	0.583	26%	0.256	S	S	*	.			trans	-65.7	136.2	173.7	-169.2	-159.5	172.2	-162.7	0	109.3	N264	K256-N264 WeakPolarHBondContact CA-OD1 3.08Å; K256-N264 HydrophobicContact CG-CB 4.42Å; K256-N264 WeakPolarHBondContact CG-OD1 3.43Å
257	S	83.8	Confident	85.3	Confident	5 Å²	5	51.1 Å²	51.1	4%	0.035	27%	0.267	C	S	.	.			trans	-60.7	146.5	174.2	61.7	0	0	0	0	111.7	C262 N264	S257-C262 PolarHBondContact OG-SG 3.22Å; S257-N264 PolarHBondContact N-OD1 3.34Å; S257-N264 PolarHBondContact OG-ND2 2.95Å; S257-N264 PolarHBondContact OG-OD1 3.48Å
258	T	76.1	Confident	85.1	Confident	127 Å²	127	52.6 Å²	52.6	78%	0.779	27%	0.274	S	S	*	.	S	Bend	trans	-83.2	-15.8	176.9	49.9	0	0	0	0	113.3
259	V	76.4	Confident	85.1	Confident	46 Å²	46	52.2 Å²	52.2	28%	0.279	27%	0.272	S	S	.	.			trans	-91.9	118.9	-176.8	-175.1	0	0	0	0	109.8	S261 C262	V259-S261 VanDerWaalsContact C-N 3.3Å; V259-S261 WeakPolarHBondContact CG1-OG 3.47Å; V259-S261 PolarHBondContact O-N 3.17Å; V259-C262 HydrophobicContact CB-CB 4.18Å; V259-C262 WeakPolarHBondContact O-CB 3.5Å; V259-C262 PolarHBondContact O-N 3.21Å
260	E	70.1	Confident	85.1	Confident	201 Å²	201	54.3 Å²	54.3	94%	0.939	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.1	-174.2	-63.5	-168.1	124.7	0	0	114.4	C262	E260-C262 PolarHBondContact O-N 3.3Å
261	S	70.4	Confident	85.2	Confident	76 Å²	76	58.5 Å²	58.5	53%	0.531	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-7.9	173.1	60.5	0	0	0	0	114	V259	V259-S261 VanDerWaalsContact C-N 3.3Å; V259-S261 WeakPolarHBondContact CG1-OG 3.47Å; V259-S261 PolarHBondContact O-N 3.17Å
262	C	72.4	Confident	85.2	Confident	6 Å²	6	59.2 Å²	59.2	4%	0.041	30%	0.301	C	S	.	.	S	Bend	trans	-91.4	116.6	-178.3	174.6	0	0	0	0	111.7	L61 D250 S257 V259 E260 N264	L61-C262 HydrophobicContact CD1-CB 4.44Å; D250-C262 PolarHBondContact O-SG 2.88Å; S257-C262 PolarHBondContact OG-SG 3.22Å; V259-C262 HydrophobicContact CB-CB 4.18Å; V259-C262 WeakPolarHBondContact O-CB 3.5Å; V259-C262 PolarHBondContact O-N 3.21Å; E260-C262 PolarHBondContact O-N 3.3Å; C262-N264 PolarHBondContact O-N 3.29Å; C262-N264 PolarHBondContact O-ND2 3.02Å; C262-N264 VanDerWaalsContact O-ND2 3.11Å
263	P	77.9	Confident	85.3	Confident	50 Å²	50	56.5 Å²	56.5	33%	0.325	29%	0.291	S	S	.	.			trans	-67.7	130.9	178.2	28.3	-33.7	0	0	0	111.2	D250 E265	D250-P263 HydrophobicContact CB-CG 4.32Å; D250-P263 VanDerWaalsContact CB-O 3.26Å; D250-P263 WeakPolarHBondContact CB-O 3.45Å; P263-E265 VanDerWaalsContact C-N 3.25Å; P263-E265 HydrophobicContact CB-CG 4.32Å; P263-E265 PolarHBondContact O-N 2.9Å
264	N	87.9	Confident	85.4	Confident	35 Å²	35	54 Å²	54	19%	0.187	28%	0.28	C	S	.	.			trans	-90.3	34.7	-174.5	-85.3	-91.2	0	0	0	113.4	K256 S257 C262 R266 Y267 L268	K256-N264 WeakPolarHBondContact CA-OD1 3.08Å; K256-N264 HydrophobicContact CG-CB 4.42Å; K256-N264 WeakPolarHBondContact CG-OD1 3.43Å; S257-N264 PolarHBondContact N-OD1 3.34Å; S257-N264 PolarHBondContact OG-ND2 2.95Å; S257-N264 PolarHBondContact OG-OD1 3.48Å; C262-N264 PolarHBondContact O-N 3.29Å; C262-N264 PolarHBondContact O-ND2 3.02Å; C262-N264 VanDerWaalsContact O-ND2 3.11Å; N264-R266 PolarHBondContact O-N 2.89Å; N264-Y267 PolarHBondContact O-N 2.93Å; N264-L268 WeakPolarHBondContact O-CB 3.39Å; N264-L268 PolarHBondContact O-N 2.99Å
265	E	89.8	Confident	85.5	Confident	31 Å²	31	52 Å²	52	15%	0.145	27%	0.268	C	S	.	.	H	α-helix	trans	-65.7	-41.2	-170.9	-66.7	-174.2	179.7	0	0	112.5	P263 Y267 L268 L269 L287 K290 Y291	P263-E265 VanDerWaalsContact C-N 3.25Å; P263-E265 HydrophobicContact CB-CG 4.32Å; P263-E265 PolarHBondContact O-N 2.9Å; E265-Y267 PolarHBondContact O-N 3.45Å; E265-L268 PolarHBondContact O-N 3.15Å; E265-L269 WeakPolarHBondContact O-CB 3.26Å; E265-L269 WeakPolarHBondContact O-CG 3.39Å; E265-L269 PolarHBondContact O-N 3.26Å; E265-L287 HydrophobicContact CG-CD1 4.21Å; E265-K290 WeakPolarHBondContact OE1-CE 3.35Å; E265-K290 IonicContact OE1-NZ 2.74Å; E265-K290 PolarHBondContact OE1-NZ 3.35Å; E265-Y291 HydrophobicContact CB-CD2 3.7Å; E265-Y291 HydrophobicContact CB-CE2 4.14Å
266	R	92.8	Very high	85.5	Confident	5 Å²	5	52.1 Å²	52.1	2%	0.019	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-44.1	175.7	-162	-166.7	-170.6	160.3	8.4	112.6	H249 C251 F253 N264 Y270 Y291 D656 T711	H249-R266 VanDerWaalsContact CB-NH1 3.3Å; H249-R266 VanDerWaalsContact CD2-CZ 3.43Å; H249-R266 PolarHBondContact CD2-NH1 3.35Å; H249-R266 VanDerWaalsContact CD2-NH1 3.34Å; H249-R266 PolarHBondContact CD2-NH2 2.83Å; H249-R266 VanDerWaalsContact CG-CZ 3.48Å; H249-R266 PolarHBondContact NE2-NH2 3.45Å; H249-R266 VanDerWaalsContact NE2-NH2 3.16Å; C251-R266 WeakPolarHBondContact O-CD 3.44Å; C251-R266 PolarHBondContact O-NH1 3.3Å; F253-R266 HydrophobicContact CB-CG 4.26Å; N264-R266 PolarHBondContact O-N 2.89Å; R266-Y270 WeakPolarHBondContact O-CB 3.31Å; R266-Y270 PolarHBondContact O-N 3.19Å; R266-Y291 HydrophobicContact CB-CE2 4.36Å; R266-Y291 WeakPolarHBondContact CB-OH 3.39Å; R266-D656 IonicContact NH1-OD1 2.7Å; R266-D656 PolarHBondContact NH1-OD1 3.11Å; R266-T711 HydrophobicContact CG-CG2 4.07Å; R266-T711 PolarHBondContact NE-O 2.51Å; R266-T711 PolarHBondContact NH2-O 2.97Å
267	Y	92.3	Very high	85.6	Confident	66 Å²	66	53.4 Å²	53.4	26%	0.259	28%	0.276	S	S	.	.	H	α-helix	trans	-65	-40	177.7	171.7	-95.3	0	0	0	111.4	N264 E265 Y270 K271	N264-Y267 PolarHBondContact O-N 2.93Å; E265-Y267 PolarHBondContact O-N 3.45Å; Y267-Y270 PolarHBondContact O-N 3.03Å; Y267-K271 HydrophobicContact CE1-CD 4Å; Y267-K271 VanDerWaalsContact O-CB 3.24Å; Y267-K271 WeakPolarHBondContact O-CB 3.35Å; Y267-K271 PolarHBondContact O-N 3.25Å
268	L	91.3	Very high	85.8	Confident	35 Å²	35	53.8 Å²	53.8	18%	0.183	28%	0.277	C	S	.	.	H	α-helix	trans	-68.4	-46	178.5	-175.1	55.9	0	0	0	112.2	L175 I176 N264 E265 Y270 K271 E272 L287	L175-L268 HydrophobicContact CB-CD1 4.07Å; I176-L268 HydrophobicContact CD1-CD1 4.42Å; I176-L268 HydrophobicContact CD1-CG 4.29Å; I176-L268 HydrophobicContact CG1-CD1 3.99Å; I176-L268 HydrophobicContact CG1-CD2 3.85Å; I176-L268 HydrophobicContact CG1-CG 3.92Å; N264-L268 WeakPolarHBondContact O-CB 3.39Å; N264-L268 PolarHBondContact O-N 2.99Å; E265-L268 PolarHBondContact O-N 3.15Å; L268-Y270 VanDerWaalsContact C-N 3.33Å; L268-Y270 PolarHBondContact O-N 3.21Å; L268-K271 PolarHBondContact O-N 3.19Å; L268-E272 HydrophobicContact CD1-CG 4.08Å; L268-E272 PolarHBondContact O-N 3.41Å; L268-L287 HydrophobicContact CD2-CD2 4Å; L268-L287 HydrophobicContact CG-CD2 4.04Å
269	L	93	Very high	86.3	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-42.6	172.6	-77.8	167.9	0	0	0	111.8	E265 W273 A274 P284 L287 I288 Y291 Y292	E265-L269 WeakPolarHBondContact O-CB 3.26Å; E265-L269 WeakPolarHBondContact O-CG 3.39Å; E265-L269 PolarHBondContact O-N 3.26Å; L269-W273 HydrophobicContact CB-CE3 4.28Å; L269-W273 HydrophobicContact CD2-CE3 3.86Å; L269-W273 HydrophobicContact CD2-CZ3 4.29Å; L269-W273 WeakPolarHBondContact O-CB 3.32Å; L269-W273 PolarHBondContact O-N 3.45Å; L269-W273 VanDerWaalsContact O-N 3.08Å; L269-A274 PolarHBondContact O-N 2.82Å; L269-P284 HydrophobicContact CD2-CG 4.46Å; L269-L287 HydrophobicContact CD1-CG 4.44Å; L269-L287 HydrophobicContact CD2-CB 4.27Å; L269-L287 HydrophobicContact CD2-CD2 3.85Å; L269-L287 HydrophobicContact CD2-CG 3.81Å; L269-L287 HydrophobicContact CG-CD2 3.91Å; L269-L287 HydrophobicContact CG-CG 3.97Å; L269-I288 HydrophobicContact CD2-CG1 3.76Å; L269-Y291 HydrophobicContact CD1-CD1 3.63Å; L269-Y291 HydrophobicContact CD1-CD2 4.45Å; L269-Y291 HydrophobicContact CD1-CE1 4.37Å; L269-Y291 HydrophobicContact CD1-CG 3.67Å; L269-Y292 HydrophobicContact CD1-CE2 4.33Å
270	Y	93.4	Very high	86.7	Confident	43 Å²	43	56.4 Å²	56.4	17%	0.169	27%	0.272	C	S	.	.	I	π-helix	trans	-60.4	-51	173.9	-176.9	-109.7	0	0	0	111.6	F253 R266 Y267 L268 A274 H275 T711 T712	F253-Y270 HydrophobicContact CB-CG 4.3Å; F253-Y270 HydrophobicContact CD2-CD1 4.28Å; F253-Y270 HydrophobicContact CD2-CD2 4.14Å; F253-Y270 HydrophobicContact CD2-CE1 4.2Å; F253-Y270 HydrophobicContact CD2-CE2 4.06Å; F253-Y270 HydrophobicContact CD2-CG 4.25Å; F253-Y270 WeakPolarHBondContact O-CB 3.48Å; F253-Y270 WeakPolarHBondContact O-CD1 3.48Å; R266-Y270 WeakPolarHBondContact O-CB 3.31Å; R266-Y270 PolarHBondContact O-N 3.19Å; Y267-Y270 PolarHBondContact O-N 3.03Å; L268-Y270 VanDerWaalsContact C-N 3.33Å; L268-Y270 PolarHBondContact O-N 3.21Å; Y270-A274 HydrophobicContact CD2-CB 4.38Å; Y270-H275 AromaticContact CE1-CD2 3.96Å; Y270-H275 AromaticContact CZ-CD2 3.8Å; Y270-H275 VanDerWaalsContact O-CB 3.22Å; Y270-H275 WeakPolarHBondContact O-CB 3.28Å; Y270-H275 PolarHBondContact O-N 2.87Å; Y270-T711 HydrophobicContact CD2-CG2 4.27Å; Y270-T712 HydrophobicContact CD2-CG2 3.72Å; Y270-T712 HydrophobicContact CE2-CG2 3.67Å
271	K	90.3	Very high	87.4	Confident	93 Å²	93	48.3 Å²	48.3	40%	0.404	23%	0.234	S	C	.	.	I	π-helix	trans	-68.2	-38.2	-172.5	-177.8	174.9	176.8	177.9	0	114.4	Y267 L268 N278	Y267-K271 HydrophobicContact CE1-CD 4Å; Y267-K271 VanDerWaalsContact O-CB 3.24Å; Y267-K271 WeakPolarHBondContact O-CB 3.35Å; Y267-K271 PolarHBondContact O-N 3.25Å; L268-K271 PolarHBondContact O-N 3.19Å; K271-N278 PolarHBondContact O-ND2 2.68Å
272	E	89.4	Confident	88.1	Confident	14 Å²	14	47.6 Å²	47.6	7%	0.065	23%	0.227	C	C	.	.	I	π-helix	trans	-100.6	-25.4	-174.7	-66.9	-60.4	137.9	0	0	114.1	I176 L268 N278 K281	I176-E272 HydrophobicContact CD1-CB 4.03Å; I176-E272 HydrophobicContact CD1-CG 4.22Å; L268-E272 HydrophobicContact CD1-CG 4.08Å; L268-E272 PolarHBondContact O-N 3.41Å; E272-N278 WeakPolarHBondContact O-CB 3.4Å; E272-K281 IonicContact OE1-NZ 2.8Å; E272-K281 IonicContact OE2-NZ 3.8Å; E272-K281 PolarHBondContact OE2-NZ 3.5Å
273	W	91.9	Very high	88.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-121	-54.7	-172.8	168	66	0	0	0	113.9	L269 P284 I288 Y292 F300 R704 A707	L269-W273 HydrophobicContact CB-CE3 4.28Å; L269-W273 HydrophobicContact CD2-CE3 3.86Å; L269-W273 HydrophobicContact CD2-CZ3 4.29Å; L269-W273 WeakPolarHBondContact O-CB 3.32Å; L269-W273 PolarHBondContact O-N 3.45Å; L269-W273 VanDerWaalsContact O-N 3.08Å; W273-P284 HydrophobicContact CB-CG 3.95Å; W273-P284 HydrophobicContact CG-CG 4.34Å; W273-I288 HydrophobicContact CD2-CD1 3.81Å; W273-I288 HydrophobicContact CD2-CG1 4.14Å; W273-I288 HydrophobicContact CE3-CD1 4.29Å; W273-I288 HydrophobicContact CE3-CG1 4.11Å; W273-I288 HydrophobicContact CG-CD1 4.32Å; W273-I288 HydrophobicContact CH2-CD1 4.03Å; W273-I288 HydrophobicContact CH2-CG1 3.97Å; W273-I288 HydrophobicContact CH2-CG2 4.21Å; W273-I288 HydrophobicContact CZ2-CD1 3.51Å; W273-I288 HydrophobicContact CZ2-CG1 4Å; W273-I288 HydrophobicContact CZ2-CG2 4.5Å; W273-I288 HydrophobicContact CZ3-CD1 4.39Å; W273-I288 HydrophobicContact CZ3-CG1 4.04Å; W273-Y292 HydrophobicContact CZ3-CE2 4.38Å; W273-F300 HydrophobicContact CH2-CD2 4.02Å; W273-F300 HydrophobicContact CH2-CE1 4.31Å; W273-F300 AromaticContact CH2-CE2 3.6Å; W273-F300 HydrophobicContact CH2-CE2 3.6Å; W273-F300 AromaticContact CH2-CZ 3.76Å; W273-F300 HydrophobicContact CH2-CZ 3.76Å; W273-F300 AromaticContact CZ2-CD1 3.74Å; W273-F300 HydrophobicContact CZ2-CD1 3.74Å; W273-F300 AromaticContact CZ2-CD2 3.7Å; W273-F300 HydrophobicContact CZ2-CD2 3.7Å; W273-F300 AromaticContact CZ2-CE1 3.62Å; W273-F300 HydrophobicContact CZ2-CE1 3.62Å; W273-F300 AromaticContact CZ2-CE2 3.58Å; W273-F300 HydrophobicContact CZ2-CE2 3.58Å; W273-F300 AromaticContact CZ2-CG 3.78Å; W273-F300 HydrophobicContact CZ2-CG 3.78Å; W273-F300 AromaticContact CZ2-CZ 3.53Å; W273-F300 HydrophobicContact CZ2-CZ 3.53Å; W273-R704 PolarHBondContact O-NH1 3.09Å; W273-A707 HydrophobicContact CD2-CB 3.72Å; W273-A707 VanDerWaalsContact CE2-CB 3.48Å; W273-A707 HydrophobicContact CE3-CB 3.85Å; W273-A707 HydrophobicContact CH2-CB 3.62Å; W273-A707 HydrophobicContact CZ2-CB 3.46Å; W273-A707 VanDerWaalsContact CZ2-CB 3.46Å; W273-A707 HydrophobicContact CZ3-CB 3.8Å
274	A	92.7	Very high	89.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-81.5	-17.5	-170.7	0	0	0	0	0	115.3	L269 Y270 A707	L269-A274 PolarHBondContact O-N 2.82Å; Y270-A274 HydrophobicContact CD2-CB 4.38Å; A274-A707 HydrophobicContact CB-CB 3.64Å; A274-A707 WeakPolarHBondContact CB-O 3.44Å
275	H	90.6	Very high	89.7	Confident	52 Å²	52	46.2 Å²	46.2	24%	0.241	22%	0.216	C	C	.	.	S	Bend	trans	-75	125.5	178.4	-172.9	-63.5	0	0	0	111.2	Y270 K277 N278	Y270-H275 AromaticContact CE1-CD2 3.96Å; Y270-H275 AromaticContact CZ-CD2 3.8Å; Y270-H275 VanDerWaalsContact O-CB 3.22Å; Y270-H275 WeakPolarHBondContact O-CB 3.28Å; Y270-H275 PolarHBondContact O-N 2.87Å; H275-K277 VanDerWaalsContact C-N 3.29Å; H275-K277 PolarHBondContact ND1-N 3.33Å; H275-K277 PolarHBondContact O-N 2.91Å; H275-N278 WeakPolarHBondContact O-CB 3.37Å; H275-N278 PolarHBondContact O-N 3.1Å; H275-N278 PolarHBondContact O-ND2 2.89Å
276	P	87.3	Confident	89.6	Confident	74 Å²	74	47 Å²	47	48%	0.481	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-52.3	-34.7	-171.8	-31.9	36.1	0	0	0	116.5	N278 F279	P276-N278 PolarHBondContact O-N 3.39Å; P276-F279 PolarHBondContact O-N 2.81Å
277	K	88.4	Confident	89.5	Confident	161 Å²	161	47.6 Å²	47.6	70%	0.7	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-51.4	-21.8	172.3	-71.2	175	-176.7	175.5	0	114.9	H275 F279 Y280	H275-K277 VanDerWaalsContact C-N 3.29Å; H275-K277 PolarHBondContact ND1-N 3.33Å; H275-K277 PolarHBondContact O-N 2.91Å; K277-F279 VanDerWaalsContact C-N 3.35Å; K277-Y280 VanDerWaalsContact O-CE1 3.31Å; K277-Y280 WeakPolarHBondContact O-CE1 3.42Å
278	N	87.9	Confident	89.6	Confident	13 Å²	13	44.5 Å²	44.5	7%	0.07	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-90.7	17	178.7	-62.6	-59.6	0	0	0	113.6	K271 E272 H275 P276 Y280 K281 R704	K271-N278 PolarHBondContact O-ND2 2.68Å; E272-N278 WeakPolarHBondContact O-CB 3.4Å; H275-N278 WeakPolarHBondContact O-CB 3.37Å; H275-N278 PolarHBondContact O-N 3.1Å; H275-N278 PolarHBondContact O-ND2 2.89Å; P276-N278 PolarHBondContact O-N 3.39Å; N278-Y280 PolarHBondContact O-N 2.85Å; N278-K281 HydrophobicContact CB-CB 4.43Å; N278-K281 HydrophobicContact CB-CD 4.08Å; N278-K281 HydrophobicContact CB-CG 4.34Å; N278-K281 PolarHBondContact O-N 2.95Å; N278-K281 VanDerWaalsContact OD1-CE 3.31Å; N278-K281 WeakPolarHBondContact OD1-CE 3.39Å; N278-K281 PolarHBondContact OD1-NZ 2.73Å; N278-R704 VanDerWaalsContact O-CZ 3.24Å; N278-R704 PolarHBondContact O-NH1 2.66Å; N278-R704 PolarHBondContact O-NH2 2.98Å
279	F	86.2	Confident	89.6	Confident	123 Å²	123	45.1 Å²	45.1	54%	0.539	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-33.6	-174.9	72.2	-87.1	0	0	0	114.5	P276 K277 I700 R704	P276-F279 PolarHBondContact O-N 2.81Å; K277-F279 VanDerWaalsContact C-N 3.35Å; F279-I700 HydrophobicContact CB-CG2 4.3Å; F279-I700 HydrophobicContact CD2-CG2 4.18Å; F279-R704 PolarHBondContact O-NH2 2.7Å
280	Y	84.9	Confident	89.4	Confident	106 Å²	106	48.1 Å²	48.1	42%	0.416	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-19.5	178.5	63	-91.1	0	0	0	115	F169 K277 N278	F169-Y280 HydrophobicContact CD1-CD2 4.07Å; F169-Y280 VanDerWaalsContact CD1-O 3.32Å; F169-Y280 WeakPolarHBondContact CD1-O 3.03Å; K277-Y280 VanDerWaalsContact O-CE1 3.31Å; K277-Y280 WeakPolarHBondContact O-CE1 3.42Å; N278-Y280 PolarHBondContact O-N 2.85Å
281	K	85.8	Confident	89.4	Confident	30 Å²	30	46 Å²	46	13%	0.13	22%	0.217	C	C	.	.	S	Bend	trans	-76.5	141.1	-175.5	-68.9	-174.6	-179.1	162.1	0	112.4	F169 E272 N278 R704	F169-K281 CarbonylContact O-C 3.54Å; F169-K281 WeakPolarHBondContact O-CA 3.2Å; E272-K281 IonicContact OE1-NZ 2.8Å; E272-K281 IonicContact OE2-NZ 3.8Å; E272-K281 PolarHBondContact OE2-NZ 3.5Å; N278-K281 HydrophobicContact CB-CB 4.43Å; N278-K281 HydrophobicContact CB-CD 4.08Å; N278-K281 HydrophobicContact CB-CG 4.34Å; N278-K281 PolarHBondContact O-N 2.95Å; N278-K281 VanDerWaalsContact OD1-CE 3.31Å; N278-K281 WeakPolarHBondContact OD1-CE 3.39Å; N278-K281 PolarHBondContact OD1-NZ 2.73Å; K281-R704 PolarHBondContact O-NH2 3.49Å
282	T	84.9	Confident	89.5	Confident	62 Å²	62	41.7 Å²	41.7	38%	0.38	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-64.6	154.5	169.9	59.6	0	0	0	0	111.4	F169 P171	F169-T282 HydrophobicContact CB-CG2 4.34Å; F169-T282 PolarHBondContact O-N 3Å; F169-T282 PolarHBondContact O-OG1 3.38Å; P171-T282 WeakPolarHBondContact CD-OG1 3.42Å
283	Q	88.9	Confident	89.5	Confident	30 Å²	30	41 Å²	41	14%	0.14	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-81.6	134	-174.4	-54.8	-171.7	86.4	0	0	111.8	L285 I288 F300 I703	Q283-L285 VanDerWaalsContact C-N 3.3Å; Q283-L285 HydrophobicContact CB-CD2 4.1Å; Q283-L285 PolarHBondContact O-N 3.14Å; Q283-I288 HydrophobicContact CB-CD1 4.33Å; Q283-F300 PolarHBondContact NE2-O 2.97Å; Q283-I703 HydrophobicContact CG-CG2 4.26Å
284	P	91.6	Very high	89.4	Confident	10 Å²	10	42 Å²	42	7%	0.065	20%	0.2	C	C	.	.			trans	-81.6	74.4	175.7	34.1	-34.5	0	0	0	110.4	P171 I176 L269 W273 D286 L287 I288	P171-P284 HydrophobicContact CG-CB 4.22Å; I176-P284 HydrophobicContact CD1-CB 3.92Å; I176-P284 HydrophobicContact CD1-CG 4.18Å; I176-P284 HydrophobicContact CG2-CB 4.5Å; L269-P284 HydrophobicContact CD2-CG 4.46Å; W273-P284 HydrophobicContact CB-CG 3.95Å; W273-P284 HydrophobicContact CG-CG 4.34Å; P284-D286 VanDerWaalsContact C-N 3.3Å; P284-D286 PolarHBondContact O-N 3.44Å; P284-L287 HydrophobicContact CB-CB 4.4Å; P284-L287 PolarHBondContact O-N 3.24Å; P284-I288 HydrophobicContact CG-CD1 4.43Å; P284-I288 WeakPolarHBondContact O-CG1 3.39Å; P284-I288 PolarHBondContact O-N 3.4Å; P284-I288 VanDerWaalsContact O-N 3.15Å
285	L	90.6	Very high	89.3	Confident	22 Å²	22	43.9 Å²	43.9	12%	0.115	21%	0.208	C	C	.	.	H	α-helix	trans	-55.4	-40.4	-170.6	-65.1	177.3	0	0	0	113.4	Q283 L287 I288 R289 F300 A301 Y399 W407	Q283-L285 VanDerWaalsContact C-N 3.3Å; Q283-L285 HydrophobicContact CB-CD2 4.1Å; Q283-L285 PolarHBondContact O-N 3.14Å; L285-L287 VanDerWaalsContact C-N 3.35Å; L285-L287 PolarHBondContact O-N 3.09Å; L285-I288 HydrophobicContact CD2-CD1 4.48Å; L285-I288 WeakPolarHBondContact O-CB 3.25Å; L285-I288 PolarHBondContact O-N 2.82Å; L285-R289 WeakPolarHBondContact O-CB 3.38Å; L285-R289 PolarHBondContact O-N 3.38Å; L285-F300 HydrophobicContact CD2-CB 4.28Å; L285-A301 HydrophobicContact CD1-CB 3.89Å; L285-A301 HydrophobicContact CD2-CB 4.12Å; L285-Y399 VanDerWaalsContact CD1-OH 3.31Å; L285-Y399 WeakPolarHBondContact CD1-OH 3.36Å; L285-W407 HydrophobicContact CB-CZ2 4.18Å
286	D	88.4	Confident	89.5	Confident	47 Å²	47	41.7 Å²	41.7	25%	0.251	20%	0.198	S	C	.	.	H	α-helix	trans	-63.7	-40.3	-177.5	-40.5	-44.1	0	0	0	111.9	E179 P284 R289 K290	E179-D286 HydrophobicContact CG-CB 4.32Å; P284-D286 VanDerWaalsContact C-N 3.3Å; P284-D286 PolarHBondContact O-N 3.44Å; D286-R289 WeakPolarHBondContact O-CB 3.2Å; D286-K290 VanDerWaalsContact O-CB 3.27Å; D286-K290 WeakPolarHBondContact O-CB 3.28Å; D286-K290 PolarHBondContact O-N 3.26Å
287	L	90.4	Very high	89.8	Confident	18 Å²	18	38.1 Å²	38.1	9%	0.094	18%	0.175	C	C	.	.	H	α-helix	trans	-71.7	-34.9	177	-173.5	63.6	0	0	0	111.6	I176 E265 L268 L269 P284 L285 Y291	I176-L287 HydrophobicContact CD1-CD2 4.01Å; I176-L287 HydrophobicContact CG1-CD2 4.18Å; E265-L287 HydrophobicContact CG-CD1 4.21Å; L268-L287 HydrophobicContact CD2-CD2 4Å; L268-L287 HydrophobicContact CG-CD2 4.04Å; L269-L287 HydrophobicContact CD1-CG 4.44Å; L269-L287 HydrophobicContact CD2-CB 4.27Å; L269-L287 HydrophobicContact CD2-CD2 3.85Å; L269-L287 HydrophobicContact CD2-CG 3.81Å; L269-L287 HydrophobicContact CG-CD2 3.91Å; L269-L287 HydrophobicContact CG-CG 3.97Å; P284-L287 HydrophobicContact CB-CB 4.4Å; P284-L287 PolarHBondContact O-N 3.24Å; L285-L287 VanDerWaalsContact C-N 3.35Å; L285-L287 PolarHBondContact O-N 3.09Å; L287-Y291 WeakPolarHBondContact O-CB 3.35Å; L287-Y291 PolarHBondContact O-N 3.14Å; L287-Y291 VanDerWaalsContact O-N 3.1Å
288	I	93.1	Very high	90	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.6	-51	173.5	-63.2	160.7	0	0	0	109.4	L269 W273 Q283 P284 L285 K290 Y291 Y292 I296 F300	L269-I288 HydrophobicContact CD2-CG1 3.76Å; W273-I288 HydrophobicContact CD2-CD1 3.81Å; W273-I288 HydrophobicContact CD2-CG1 4.14Å; W273-I288 HydrophobicContact CE3-CD1 4.29Å; W273-I288 HydrophobicContact CE3-CG1 4.11Å; W273-I288 HydrophobicContact CG-CD1 4.32Å; W273-I288 HydrophobicContact CH2-CD1 4.03Å; W273-I288 HydrophobicContact CH2-CG1 3.97Å; W273-I288 HydrophobicContact CH2-CG2 4.21Å; W273-I288 HydrophobicContact CZ2-CD1 3.51Å; W273-I288 HydrophobicContact CZ2-CG1 4Å; W273-I288 HydrophobicContact CZ2-CG2 4.5Å; W273-I288 HydrophobicContact CZ3-CD1 4.39Å; W273-I288 HydrophobicContact CZ3-CG1 4.04Å; Q283-I288 HydrophobicContact CB-CD1 4.33Å; P284-I288 HydrophobicContact CG-CD1 4.43Å; P284-I288 WeakPolarHBondContact O-CG1 3.39Å; P284-I288 PolarHBondContact O-N 3.4Å; P284-I288 VanDerWaalsContact O-N 3.15Å; L285-I288 HydrophobicContact CD2-CD1 4.48Å; L285-I288 WeakPolarHBondContact O-CB 3.25Å; L285-I288 PolarHBondContact O-N 2.82Å; I288-K290 PolarHBondContact O-N 2.84Å; I288-Y291 PolarHBondContact O-N 2.89Å; I288-Y292 HydrophobicContact CG2-CD2 4.4Å; I288-Y292 WeakPolarHBondContact O-CB 3.47Å; I288-Y292 PolarHBondContact O-N 2.9Å; I288-I296 HydrophobicContact CG2-CG2 4.1Å; I288-F300 HydrophobicContact CG2-CD2 4.1Å
289	R	91.5	Very high	90.4	Very high	48 Å²	48	30 Å²	30	18%	0.181	14%	0.139	C	C	.	.	H	α-helix	trans	-51.1	-53.2	173.1	170.4	-169.7	77.8	160.8	-0.6	111.3	E179 L285 D286 Y291 G293 E294 E406 W407	E179-R289 IonicContact OE2-CZ 3.89Å; E179-R289 IonicContact OE2-NH2 2.65Å; E179-R289 PolarHBondContact OE2-NH2 3.38Å; L285-R289 WeakPolarHBondContact O-CB 3.38Å; L285-R289 PolarHBondContact O-N 3.38Å; D286-R289 WeakPolarHBondContact O-CB 3.2Å; R289-Y291 VanDerWaalsContact C-N 3.34Å; R289-Y291 PolarHBondContact O-N 3.35Å; R289-G293 CarbonylContact O-C 3.59Å; R289-G293 WeakPolarHBondContact O-CA 3.47Å; R289-G293 PolarHBondContact O-N 3.3Å; R289-E294 HydrophobicContact CG-CG 4.33Å; R289-E406 PolarHBondContact NH1-O 3.3Å; R289-W407 VanDerWaalsContact CD-CD1 3.47Å; R289-W407 HydrophobicContact CG-CD2 4.38Å; R289-W407 HydrophobicContact CG-CG 4.46Å
290	K	89.7	Confident	90.9	Very high	64 Å²	64	24.2 Å²	24.2	28%	0.278	11%	0.113	S	C	.	.	H	α-helix	trans	-59.3	-43.4	-177.3	-171.2	-166.6	-172.5	-166.7	0	112.4	S207 E265 D286 I288	S207-K290 VanDerWaalsContact CB-O 3.28Å; S207-K290 WeakPolarHBondContact CB-O 3.31Å; S207-K290 PolarHBondContact OG-O 2.82Å; E265-K290 WeakPolarHBondContact OE1-CE 3.35Å; E265-K290 IonicContact OE1-NZ 2.74Å; E265-K290 PolarHBondContact OE1-NZ 3.35Å; D286-K290 VanDerWaalsContact O-CB 3.27Å; D286-K290 WeakPolarHBondContact O-CB 3.28Å; D286-K290 PolarHBondContact O-N 3.26Å; I288-K290 PolarHBondContact O-N 2.84Å
291	Y	92.2	Very high	91.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-84.2	-37.5	-172.9	-174.5	-99.2	0	0	0	114.1	H249 D250 E265 R266 L269 L287 I288 R289 R716	H249-Y291 AromaticContact ND1-CZ 3.87Å; H249-Y291 PolarHBondContact ND1-OH 3.13Å; D250-Y291 WeakPolarHBondContact OD2-CE2 2.72Å; E265-Y291 HydrophobicContact CB-CD2 3.7Å; E265-Y291 HydrophobicContact CB-CE2 4.14Å; R266-Y291 HydrophobicContact CB-CE2 4.36Å; R266-Y291 WeakPolarHBondContact CB-OH 3.39Å; L269-Y291 HydrophobicContact CD1-CD1 3.63Å; L269-Y291 HydrophobicContact CD1-CD2 4.45Å; L269-Y291 HydrophobicContact CD1-CE1 4.37Å; L269-Y291 HydrophobicContact CD1-CG 3.67Å; L287-Y291 WeakPolarHBondContact O-CB 3.35Å; L287-Y291 PolarHBondContact O-N 3.14Å; L287-Y291 VanDerWaalsContact O-N 3.1Å; I288-Y291 PolarHBondContact O-N 2.89Å; R289-Y291 VanDerWaalsContact C-N 3.34Å; R289-Y291 PolarHBondContact O-N 3.35Å; Y291-R716 VanDerWaalsContact CD2-NH2 3.26Å; Y291-R716 PolarHBondContact O-NE 2.94Å; Y291-R716 PolarHBondContact O-NH2 2.71Å
292	Y	92.4	Very high	91.8	Very high	1 Å²	1	17.9 Å²	17.9	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-110.3	-16.8	-173.7	-78.4	-67.3	0	0	0	115.4	L269 W273 I288 I296 M710 T711 I717 P719	L269-Y292 HydrophobicContact CD1-CE2 4.33Å; W273-Y292 HydrophobicContact CZ3-CE2 4.38Å; I288-Y292 HydrophobicContact CG2-CD2 4.4Å; I288-Y292 WeakPolarHBondContact O-CB 3.47Å; I288-Y292 PolarHBondContact O-N 2.9Å; Y292-I296 HydrophobicContact CD1-CD1 4.01Å; Y292-I296 HydrophobicContact CD2-CG2 4.44Å; Y292-I296 HydrophobicContact CG-CD1 4.18Å; Y292-I296 HydrophobicContact CG-CG2 4.17Å; Y292-M710 PolarHBondContact OH-O 3.45Å; Y292-T711 VanDerWaalsContact OH-CA 3.26Å; Y292-T711 WeakPolarHBondContact OH-CA 3.22Å; Y292-T711 PolarHBondContact OH-N 2.99Å; Y292-I717 HydrophobicContact CD1-CB 4.48Å; Y292-P719 WeakPolarHBondContact O-CA 3.46Å
293	G	91.1	Very high	92.3	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.01	7%	0.07	C	C	.	.			trans	97.2	163	-173.8	0	0	0	0	0	114.3	R289 K295 I296 G297	R289-G293 CarbonylContact O-C 3.59Å; R289-G293 WeakPolarHBondContact O-CA 3.47Å; R289-G293 PolarHBondContact O-N 3.3Å; G293-K295 VanDerWaalsContact C-N 3.34Å; G293-K295 PolarHBondContact O-N 3.43Å; G293-I296 PolarHBondContact O-N 3Å; G293-G297 PolarHBondContact O-N 3.3Å; G293-G297 VanDerWaalsContact O-N 3.09Å
294	E	89.9	Confident	92.6	Very high	21 Å²	21	14 Å²	14	10%	0.098	7%	0.069	C	C	.	.	H	α-helix	trans	-65.6	-36	-170.4	-52.7	87	153.1	0	0	111.6	R211 R289 I296 G297 I298 W407 T409 E720 K721	R211-E294 IonicContact NH1-OE1 3.03Å; R211-E294 IonicContact NH1-OE2 3.58Å; R289-E294 HydrophobicContact CG-CG 4.33Å; E294-I296 VanDerWaalsContact C-N 3.3Å; E294-I296 PolarHBondContact O-N 2.76Å; E294-G297 PolarHBondContact O-N 2.97Å; E294-I298 PolarHBondContact O-N 3.16Å; E294-W407 HydrophobicContact CB-CE3 4.48Å; E294-T409 HydrophobicContact CB-CG2 4.38Å; E294-T409 HydrophobicContact CG-CG2 4.31Å; E294-E720 PolarHBondContact N-O 2.87Å; E294-K721 HydrophobicContact CB-CG 4.41Å; E294-K721 HydrophobicContact CG-CG 4.01Å; E294-K721 WeakPolarHBondContact OE1-CE 3.11Å; E294-K721 WeakPolarHBondContact OE1-CG 3.39Å; E294-K721 WeakPolarHBondContact OE2-CG 3.27Å
295	K	90.1	Very high	92.7	Very high	38 Å²	38	14.7 Å²	14.7	17%	0.165	7%	0.071	C	C	.	.	H	α-helix	trans	-62.8	-29.4	176.7	-171.8	172.5	-175.4	170.1	0	114.3	G293 E550 L667 E720 A722	G293-K295 VanDerWaalsContact C-N 3.34Å; G293-K295 PolarHBondContact O-N 3.43Å; K295-E550 WeakPolarHBondContact CE-OE2 3.36Å; K295-E550 VanDerWaalsContact NZ-CD 3.27Å; K295-E550 IonicContact NZ-OE1 3.55Å; K295-E550 PolarHBondContact NZ-OE1 3.18Å; K295-E550 IonicContact NZ-OE2 2.61Å; K295-E550 PolarHBondContact NZ-OE2 2.9Å; K295-L667 HydrophobicContact CG-CD1 4.3Å; K295-L667 WeakPolarHBondContact O-CD1 3.39Å; K295-E720 HydrophobicContact CB-CB 4.13Å; K295-E720 WeakPolarHBondContact CB-O 3.49Å; K295-E720 HydrophobicContact CD-CB 3.79Å; K295-E720 WeakPolarHBondContact CD-OE2 3.35Å; K295-E720 WeakPolarHBondContact CE-OE2 3.26Å; K295-E720 PolarHBondContact N-O 2.99Å; K295-E720 IonicContact NZ-OE2 2.85Å; K295-E720 PolarHBondContact NZ-OE2 3.08Å; K295-A722 HydrophobicContact CB-CB 3.88Å; K295-A722 HydrophobicContact CG-CB 4.06Å
296	I	93.6	Very high	93	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.031	7%	0.066	C	C	.	.	H	α-helix	trans	-86.3	-37	173.5	-71.1	165.9	0	0	0	110.3	I288 Y292 G293 E294 I298 Y299 F300 L667 M710 I717	I288-I296 HydrophobicContact CG2-CG2 4.1Å; Y292-I296 HydrophobicContact CD1-CD1 4.01Å; Y292-I296 HydrophobicContact CD2-CG2 4.44Å; Y292-I296 HydrophobicContact CG-CD1 4.18Å; Y292-I296 HydrophobicContact CG-CG2 4.17Å; G293-I296 PolarHBondContact O-N 3Å; E294-I296 VanDerWaalsContact C-N 3.3Å; E294-I296 PolarHBondContact O-N 2.76Å; I296-I298 VanDerWaalsContact C-N 3.34Å; I296-I298 PolarHBondContact O-N 3.18Å; I296-Y299 PolarHBondContact O-N 3.06Å; I296-F300 HydrophobicContact CG2-CD2 3.84Å; I296-F300 HydrophobicContact CG2-CE2 3.78Å; I296-F300 WeakPolarHBondContact O-CD2 3.21Å; I296-F300 PolarHBondContact O-N 3.17Å; I296-L667 HydrophobicContact CG1-CD1 3.91Å; I296-L667 HydrophobicContact CG1-CD2 4.33Å; I296-L667 HydrophobicContact CG1-CG 4.47Å; I296-M710 HydrophobicContact CG2-SD 4.41Å; I296-I717 HydrophobicContact CD1-CB 3.76Å; I296-I717 HydrophobicContact CD1-CD1 3.59Å; I296-I717 HydrophobicContact CD1-CG1 4.25Å; I296-I717 HydrophobicContact CD1-CG2 3.75Å
297	G	94.2	Very high	93.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-53.2	-49.1	170.8	0	0	0	0	0	112.5	G293 E294 Y299 F300 A301	G293-G297 PolarHBondContact O-N 3.3Å; G293-G297 VanDerWaalsContact O-N 3.09Å; E294-G297 PolarHBondContact O-N 2.97Å; G297-Y299 VanDerWaalsContact C-N 3.34Å; G297-Y299 PolarHBondContact O-N 3.13Å; G297-F300 PolarHBondContact O-N 3.43Å; G297-A301 WeakPolarHBondContact O-CB 3.24Å; G297-A301 PolarHBondContact O-N 3.09Å
298	I	93.6	Very high	93.3	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.015	8%	0.082	C	C	.	.	H	α-helix	trans	-68.8	-32.7	-174.4	-161.8	65.3	0	0	0	112.3	E294 I296 A301 W302 W396 Q400 L403 W407 A722 I725	E294-I298 PolarHBondContact O-N 3.16Å; I296-I298 VanDerWaalsContact C-N 3.34Å; I296-I298 PolarHBondContact O-N 3.18Å; I298-A301 PolarHBondContact O-N 3.06Å; I298-W302 VanDerWaalsContact O-CB 3.3Å; I298-W302 WeakPolarHBondContact O-CB 3.41Å; I298-W302 PolarHBondContact O-N 2.95Å; I298-W396 HydrophobicContact CD1-CH2 3.77Å; I298-W396 HydrophobicContact CD1-CZ2 3.95Å; I298-W396 HydrophobicContact CG1-CH2 4.3Å; I298-W396 HydrophobicContact CG1-CZ2 4.21Å; I298-Q400 HydrophobicContact CD1-CG 4.33Å; I298-L403 HydrophobicContact CD1-CB 4.42Å; I298-L403 HydrophobicContact CD1-CD1 3.83Å; I298-W407 HydrophobicContact CB-CZ3 3.96Å; I298-W407 HydrophobicContact CD1-CZ3 4.11Å; I298-A722 HydrophobicContact CG2-CB 4.45Å; I298-I725 HydrophobicContact CG1-CG2 4.24Å
299	Y	95.4	Very high	93.4	Very high	1 Å²	1	19 Å²	19	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-61.4	-51.7	172.6	170.7	-103.2	0	0	0	111.6	I296 G297 A301 W302 L303 L667 E670 Y671 D706	I296-Y299 PolarHBondContact O-N 3.06Å; G297-Y299 VanDerWaalsContact C-N 3.34Å; G297-Y299 PolarHBondContact O-N 3.13Å; Y299-A301 VanDerWaalsContact C-N 3.32Å; Y299-A301 PolarHBondContact O-N 3.49Å; Y299-W302 PolarHBondContact O-N 2.66Å; Y299-L303 HydrophobicContact CE1-CD2 4.14Å; Y299-L303 WeakPolarHBondContact O-CB 3.32Å; Y299-L303 PolarHBondContact O-N 2.69Å; Y299-L667 HydrophobicContact CG-CD1 4.39Å; Y299-E670 HydrophobicContact CD2-CB 4.33Å; Y299-E670 HydrophobicContact CE1-CB 4.24Å; Y299-E670 HydrophobicContact CE2-CB 3.56Å; Y299-Y671 VanDerWaalsContact CA-OH 3.3Å; Y299-Y671 WeakPolarHBondContact CA-OH 3.39Å; Y299-Y671 AromaticContact CD2-CD1 3.97Å; Y299-Y671 HydrophobicContact CD2-CD1 3.97Å; Y299-Y671 HydrophobicContact CD2-CD2 4.04Å; Y299-Y671 AromaticContact CD2-CE1 3.77Å; Y299-Y671 HydrophobicContact CD2-CE1 3.77Å; Y299-Y671 AromaticContact CD2-CE2 3.84Å; Y299-Y671 HydrophobicContact CD2-CE2 3.84Å; Y299-Y671 HydrophobicContact CD2-CG 4.11Å; Y299-Y671 AromaticContact CD2-CZ 3.72Å; Y299-Y671 HydrophobicContact CE2-CD1 4.42Å; Y299-Y671 HydrophobicContact CE2-CG 4.46Å; Y299-Y671 HydrophobicContact CG-CE2 4.41Å; Y299-Y671 PolarHBondContact N-OH 3.41Å; Y299-D706 HydrophobicContact CE1-CB 4.5Å; Y299-D706 VanDerWaalsContact CE1-OD2 3.24Å; Y299-D706 WeakPolarHBondContact CE1-OD2 3.36Å; Y299-D706 VanDerWaalsContact CZ-OD2 3.31Å; Y299-D706 PolarHBondContact OH-OD2 3.36Å
300	F	95.8	Very high	93.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-68.3	-31.3	178.9	-76.5	-67.8	0	0	0	112.7	W273 Q283 L285 I288 I296 G297 G304 D706 M710	W273-F300 HydrophobicContact CH2-CD2 4.02Å; W273-F300 HydrophobicContact CH2-CE1 4.31Å; W273-F300 AromaticContact CH2-CE2 3.6Å; W273-F300 HydrophobicContact CH2-CE2 3.6Å; W273-F300 AromaticContact CH2-CZ 3.76Å; W273-F300 HydrophobicContact CH2-CZ 3.76Å; W273-F300 AromaticContact CZ2-CD1 3.74Å; W273-F300 HydrophobicContact CZ2-CD1 3.74Å; W273-F300 AromaticContact CZ2-CD2 3.7Å; W273-F300 HydrophobicContact CZ2-CD2 3.7Å; W273-F300 AromaticContact CZ2-CE1 3.62Å; W273-F300 HydrophobicContact CZ2-CE1 3.62Å; W273-F300 AromaticContact CZ2-CE2 3.58Å; W273-F300 HydrophobicContact CZ2-CE2 3.58Å; W273-F300 AromaticContact CZ2-CG 3.78Å; W273-F300 HydrophobicContact CZ2-CG 3.78Å; W273-F300 AromaticContact CZ2-CZ 3.53Å; W273-F300 HydrophobicContact CZ2-CZ 3.53Å; Q283-F300 PolarHBondContact NE2-O 2.97Å; L285-F300 HydrophobicContact CD2-CB 4.28Å; I288-F300 HydrophobicContact CG2-CD2 4.1Å; I296-F300 HydrophobicContact CG2-CD2 3.84Å; I296-F300 HydrophobicContact CG2-CE2 3.78Å; I296-F300 WeakPolarHBondContact O-CD2 3.21Å; I296-F300 PolarHBondContact O-N 3.17Å; G297-F300 PolarHBondContact O-N 3.43Å; F300-G304 PolarHBondContact O-N 2.75Å; F300-D706 HydrophobicContact CE1-CB 3.58Å; F300-D706 HydrophobicContact CZ-CB 3.61Å; F300-M710 HydrophobicContact CE2-CE 4.44Å; F300-M710 HydrophobicContact CE2-SD 3.93Å; F300-M710 HydrophobicContact CZ-CE 4.31Å; F300-M710 HydrophobicContact CZ-SD 4.11Å
301	A	94.9	Very high	93.8	Very high	3 Å²	3	15.6 Å²	15.6	3%	0.025	8%	0.082	C	C	.	.	H	α-helix	trans	-65.4	-46	171.9	0	0	0	0	0	112	L285 G297 I298 Y299 G304 F305 W396 Y399 L403 W407	L285-A301 HydrophobicContact CD1-CB 3.89Å; L285-A301 HydrophobicContact CD2-CB 4.12Å; G297-A301 WeakPolarHBondContact O-CB 3.24Å; G297-A301 PolarHBondContact O-N 3.09Å; I298-A301 PolarHBondContact O-N 3.06Å; Y299-A301 VanDerWaalsContact C-N 3.32Å; Y299-A301 PolarHBondContact O-N 3.49Å; A301-G304 PolarHBondContact O-N 3.37Å; A301-F305 VanDerWaalsContact O-CB 3.29Å; A301-F305 WeakPolarHBondContact O-CB 3.21Å; A301-F305 PolarHBondContact O-N 3.48Å; A301-W396 HydrophobicContact CB-CH2 4.49Å; A301-Y399 HydrophobicContact CB-CE1 4.39Å; A301-L403 HydrophobicContact CB-CD1 3.54Å; A301-W407 HydrophobicContact CB-CH2 4.12Å
302	W	96.1	Very high	93.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.9	-50.7	176	178	80.9	0	0	0	112	I298 Y299 G304 F305 Y306 W396 Y671 M674 V675 I725 L732	I298-W302 VanDerWaalsContact O-CB 3.3Å; I298-W302 WeakPolarHBondContact O-CB 3.41Å; I298-W302 PolarHBondContact O-N 2.95Å; Y299-W302 PolarHBondContact O-N 2.66Å; W302-G304 VanDerWaalsContact C-N 3.31Å; W302-G304 PolarHBondContact O-N 2.9Å; W302-F305 PolarHBondContact O-N 3.42Å; W302-F305 VanDerWaalsContact O-N 3.14Å; W302-Y306 HydrophobicContact CH2-CD1 4.12Å; W302-Y306 HydrophobicContact CZ2-CD1 4.46Å; W302-Y306 HydrophobicContact CZ3-CD1 4.46Å; W302-Y306 WeakPolarHBondContact O-CB 3.38Å; W302-Y306 PolarHBondContact O-N 3.46Å; W302-W396 VanDerWaalsContact CA-CZ3 3.41Å; W302-W396 HydrophobicContact CB-CE3 4.48Å; W302-W396 HydrophobicContact CB-CH2 3.6Å; W302-W396 HydrophobicContact CB-CZ2 3.9Å; W302-W396 HydrophobicContact CB-CZ3 3.92Å; W302-W396 AromaticContact CD1-CD2 3.63Å; W302-W396 AromaticContact CD1-CE2 3.58Å; W302-W396 AromaticContact CD1-CE3 3.96Å; W302-W396 AromaticContact CD1-CZ2 3.9Å; W302-W396 AromaticContact CD1-NE1 3.97Å; W302-W396 HydrophobicContact CG-CH2 4.35Å; W302-W396 HydrophobicContact CG-CZ2 4.31Å; W302-W396 HydrophobicContact CG-CZ3 4.5Å; W302-Y671 HydrophobicContact CD2-CE1 4.39Å; W302-Y671 HydrophobicContact CE3-CD1 4.14Å; W302-Y671 HydrophobicContact CE3-CE1 4.11Å; W302-Y671 HydrophobicContact CZ3-CD1 4.26Å; W302-M674 HydrophobicContact CH2-CB 3.54Å; W302-M674 HydrophobicContact CZ3-CB 3.43Å; W302-M674 VanDerWaalsContact CZ3-CB 3.43Å; W302-M674 HydrophobicContact CZ3-CG 4.03Å; W302-V675 HydrophobicContact CH2-CG2 4.41Å; W302-I725 HydrophobicContact CB-CG2 4.22Å; W302-I725 HydrophobicContact CG-CG2 4.26Å; W302-L732 HydrophobicContact CZ2-CD1 3.78Å; W302-L732 HydrophobicContact CZ2-CD2 4.38Å
303	L	95.3	Very high	94	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.8	-41.7	177.8	-179.7	57.2	0	0	0	111.2	Y299 Y306 T307 M674 N699 I703	Y299-L303 HydrophobicContact CE1-CD2 4.14Å; Y299-L303 WeakPolarHBondContact O-CB 3.32Å; Y299-L303 PolarHBondContact O-N 2.69Å; L303-Y306 HydrophobicContact CD1-CD1 4.45Å; L303-T307 WeakPolarHBondContact O-CB 3.46Å; L303-T307 PolarHBondContact O-N 3.21Å; L303-T307 PolarHBondContact O-OG1 3.35Å; L303-M674 HydrophobicContact CD1-CG 3.99Å; L303-M674 HydrophobicContact CD1-SD 3.43Å; L303-M674 WeakPolarHBondContact CD1-SD 3.4Å; L303-N699 HydrophobicContact CD1-CB 4.46Å; L303-I703 HydrophobicContact CD2-CB 4.48Å; L303-I703 HydrophobicContact CD2-CG1 3.5Å; L303-I703 VanDerWaalsContact CD2-CG1 3.5Å; L303-I703 HydrophobicContact CG-CD1 4.13Å; L303-I703 HydrophobicContact CG-CG1 3.58Å
304	G	93.8	Very high	94.2	Very high	11 Å²	11	21.6 Å²	21.6	11%	0.113	11%	0.108	C	C	.	.	H	α-helix	trans	-63.8	-39	174.4	0	0	0	0	0	113.5	F300 A301 W302 K308	F300-G304 PolarHBondContact O-N 2.75Å; A301-G304 PolarHBondContact O-N 3.37Å; W302-G304 VanDerWaalsContact C-N 3.31Å; W302-G304 PolarHBondContact O-N 2.9Å; G304-K308 WeakPolarHBondContact O-CG 3.49Å; G304-K308 PolarHBondContact O-N 3.03Å; G304-K308 VanDerWaalsContact O-N 3.15Å
305	F	94.6	Very high	94.5	Very high	24 Å²	24	25.4 Å²	25.4	11%	0.105	13%	0.133	C	C	.	.	H	α-helix	trans	-69.1	-47.4	176.2	178	-94.1	0	0	0	112	A301 W302 T307 K308 M309 F392 F395 W396 Y399	A301-F305 VanDerWaalsContact O-CB 3.29Å; A301-F305 WeakPolarHBondContact O-CB 3.21Å; A301-F305 PolarHBondContact O-N 3.48Å; W302-F305 PolarHBondContact O-N 3.42Å; W302-F305 VanDerWaalsContact O-N 3.14Å; F305-T307 VanDerWaalsContact C-N 3.29Å; F305-T307 PolarHBondContact O-N 2.88Å; F305-K308 WeakPolarHBondContact O-CB 3.26Å; F305-K308 PolarHBondContact O-N 3.28Å; F305-K308 VanDerWaalsContact O-N 3.16Å; F305-M309 HydrophobicContact CD1-CG 4.34Å; F305-M309 HydrophobicContact CE1-CG 3.82Å; F305-M309 HydrophobicContact CE2-CG 4.23Å; F305-M309 HydrophobicContact CZ-CG 3.73Å; F305-M309 HydrophobicContact CZ-SD 4.27Å; F305-M309 PolarHBondContact O-N 3.37Å; F305-F392 HydrophobicContact CD1-CD2 4.06Å; F305-F392 AromaticContact CD1-CE2 3.78Å; F305-F392 HydrophobicContact CD1-CE2 3.78Å; F305-F392 AromaticContact CE1-CD2 3.59Å; F305-F392 HydrophobicContact CE1-CD2 3.59Å; F305-F392 AromaticContact CE1-CE2 3.77Å; F305-F392 HydrophobicContact CE1-CE2 3.77Å; F305-F392 WeakPolarHBondContact CE1-O 3.45Å; F305-F395 HydrophobicContact CE2-CB 4.29Å; F305-F395 HydrophobicContact CZ-CB 3.66Å; F305-W396 HydrophobicContact CB-CE3 3.97Å; F305-W396 HydrophobicContact CB-CZ3 4.06Å; F305-W396 HydrophobicContact CD1-CB 4.1Å; F305-W396 HydrophobicContact CD1-CD2 4.46Å; F305-W396 AromaticContact CD1-CE3 3.71Å; F305-W396 HydrophobicContact CD1-CE3 3.71Å; F305-W396 HydrophobicContact CE1-CB 3.75Å; F305-W396 HydrophobicContact CE1-CE3 4.43Å; F305-W396 AromaticContact CG-CE3 3.86Å; F305-W396 HydrophobicContact CG-CE3 3.86Å; F305-W396 HydrophobicContact CG-CZ3 4.39Å; F305-Y399 HydrophobicContact CB-CD1 4.08Å; F305-Y399 HydrophobicContact CB-CE1 4.22Å; F305-Y399 AromaticContact CD2-CD1 3.79Å; F305-Y399 HydrophobicContact CD2-CD1 3.79Å; F305-Y399 HydrophobicContact CD2-CE1 4.43Å; F305-Y399 HydrophobicContact CD2-CG 4.39Å; F305-Y399 HydrophobicContact CG-CD1 4.1Å
306	Y	96.1	Very high	94.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-55.8	-43.7	174.3	175.7	-144.6	0	0	0	111.5	W302 L303 K308 M309 L310 W388 F392 F678 N699	W302-Y306 HydrophobicContact CH2-CD1 4.12Å; W302-Y306 HydrophobicContact CZ2-CD1 4.46Å; W302-Y306 HydrophobicContact CZ3-CD1 4.46Å; W302-Y306 WeakPolarHBondContact O-CB 3.38Å; W302-Y306 PolarHBondContact O-N 3.46Å; L303-Y306 HydrophobicContact CD1-CD1 4.45Å; Y306-K308 PolarHBondContact O-N 3.02Å; Y306-M309 PolarHBondContact O-N 2.91Å; Y306-L310 HydrophobicContact CD1-CD1 4.42Å; Y306-L310 HydrophobicContact CD2-CD1 3.95Å; Y306-L310 HydrophobicContact CD2-CG 3.83Å; Y306-L310 HydrophobicContact CE1-CD1 4.1Å; Y306-L310 HydrophobicContact CE2-CD1 3.58Å; Y306-L310 HydrophobicContact CE2-CD2 3.81Å; Y306-L310 HydrophobicContact CE2-CG 3.55Å; Y306-L310 HydrophobicContact CG-CD1 4.35Å; Y306-L310 WeakPolarHBondContact O-CB 2.95Å; Y306-L310 WeakPolarHBondContact O-CG 3.29Å; Y306-L310 PolarHBondContact O-N 2.75Å; Y306-W388 HydrophobicContact CE2-CH2 4.34Å; Y306-F392 AromaticContact CD2-CE2 3.95Å; Y306-F392 HydrophobicContact CD2-CE2 3.95Å; Y306-F392 AromaticContact CD2-CZ 3.98Å; Y306-F392 HydrophobicContact CD2-CZ 3.98Å; Y306-F392 HydrophobicContact CG-CE2 4.33Å; Y306-F392 HydrophobicContact CG-CZ 4.35Å; Y306-F678 AromaticContact CE2-CD2 3.87Å; Y306-F678 HydrophobicContact CE2-CD2 3.87Å; Y306-F678 VanDerWaalsContact OH-CA 3.27Å; Y306-F678 WeakPolarHBondContact OH-CA 3.36Å; Y306-F678 PolarHBondContact OH-N 3.3Å; Y306-N699 VanDerWaalsContact CD1-ND2 3.35Å; Y306-N699 WeakPolarHBondContact CD1-ND2 3.47Å
307	T	94.8	Very high	94.8	Very high	17 Å²	17	25.1 Å²	25.1	10%	0.104	14%	0.135	C	C	.	.	H	α-helix	trans	-63.2	-41.9	176.4	-51.9	0	0	0	0	112.7	L303 F305 L310 A311 L696 N699 I700 I703	L303-T307 WeakPolarHBondContact O-CB 3.46Å; L303-T307 PolarHBondContact O-N 3.21Å; L303-T307 PolarHBondContact O-OG1 3.35Å; F305-T307 VanDerWaalsContact C-N 3.29Å; F305-T307 PolarHBondContact O-N 2.88Å; T307-L310 PolarHBondContact O-N 3.43Å; T307-A311 PolarHBondContact O-N 2.88Å; T307-A311 VanDerWaalsContact O-N 3.16Å; T307-L696 HydrophobicContact CG2-CD1 3.88Å; T307-L696 WeakPolarHBondContact O-CD1 3.42Å; T307-N699 HydrophobicContact CG2-CB 3.91Å; T307-N699 VanDerWaalsContact OG1-CB 3.29Å; T307-N699 WeakPolarHBondContact OG1-CB 3.45Å; T307-N699 PolarHBondContact OG1-ND2 3.4Å; T307-I700 HydrophobicContact CG2-CG1 4.05Å; T307-I703 HydrophobicContact CG2-CD1 4.34Å
308	K	92.3	Very high	94.8	Very high	133 Å²	133	27.3 Å²	27.3	58%	0.578	15%	0.146	S	C	*	.	H	α-helix	trans	-61.5	-43.7	174.1	-71.5	168	-178.1	178.1	0	111.6	G304 F305 Y306 A311	G304-K308 WeakPolarHBondContact O-CG 3.49Å; G304-K308 PolarHBondContact O-N 3.03Å; G304-K308 VanDerWaalsContact O-N 3.15Å; F305-K308 WeakPolarHBondContact O-CB 3.26Å; F305-K308 PolarHBondContact O-N 3.28Å; F305-K308 VanDerWaalsContact O-N 3.16Å; Y306-K308 PolarHBondContact O-N 3.02Å; K308-A311 WeakPolarHBondContact O-CB 3.09Å; K308-A311 PolarHBondContact O-N 2.98Å
309	M	94.4	Very high	94.8	Very high	29 Å²	29	30 Å²	30	14%	0.143	17%	0.168	C	C	.	.	H	α-helix	trans	-71.9	-35.9	-179.4	-66.9	-64.4	-80.3	0	0	112.1	F305 Y306 A311 F312 A313 W388 V391 F392 F395	F305-M309 HydrophobicContact CD1-CG 4.34Å; F305-M309 HydrophobicContact CE1-CG 3.82Å; F305-M309 HydrophobicContact CE2-CG 4.23Å; F305-M309 HydrophobicContact CZ-CG 3.73Å; F305-M309 HydrophobicContact CZ-SD 4.27Å; F305-M309 PolarHBondContact O-N 3.37Å; Y306-M309 PolarHBondContact O-N 2.91Å; M309-A311 VanDerWaalsContact C-N 3.27Å; M309-A311 PolarHBondContact O-N 2.58Å; M309-F312 PolarHBondContact O-N 2.88Å; M309-A313 PolarHBondContact O-N 3.45Å; M309-W388 HydrophobicContact CB-CZ2 3.84Å; M309-W388 PolarHBondContact O-NE1 3.23Å; M309-V391 HydrophobicContact CE-CG1 4.08Å; M309-F392 HydrophobicContact CB-CD2 3.97Å; M309-F392 HydrophobicContact CE-CB 4.29Å; M309-F392 HydrophobicContact CG-CD2 4.07Å; M309-F395 HydrophobicContact CE-CD2 4.13Å
310	L	94.9	Very high	94.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-33.5	172.3	-81.8	175.4	0	0	0	112.5	Y306 T307 F312 A313 S314 W388 V681 P692 A695 L696	Y306-L310 HydrophobicContact CD1-CD1 4.42Å; Y306-L310 HydrophobicContact CD2-CD1 3.95Å; Y306-L310 HydrophobicContact CD2-CG 3.83Å; Y306-L310 HydrophobicContact CE1-CD1 4.1Å; Y306-L310 HydrophobicContact CE2-CD1 3.58Å; Y306-L310 HydrophobicContact CE2-CD2 3.81Å; Y306-L310 HydrophobicContact CE2-CG 3.55Å; Y306-L310 HydrophobicContact CG-CD1 4.35Å; Y306-L310 WeakPolarHBondContact O-CB 2.95Å; Y306-L310 WeakPolarHBondContact O-CG 3.29Å; Y306-L310 PolarHBondContact O-N 2.75Å; T307-L310 PolarHBondContact O-N 3.43Å; L310-F312 VanDerWaalsContact C-N 3.3Å; L310-F312 PolarHBondContact O-N 3.06Å; L310-A313 PolarHBondContact O-N 3.12Å; L310-S314 VanDerWaalsContact O-CB 3.32Å; L310-S314 WeakPolarHBondContact O-CB 3.36Å; L310-S314 PolarHBondContact O-N 2.86Å; L310-S314 PolarHBondContact O-OG 2.87Å; L310-W388 HydrophobicContact CD2-CH2 4.06Å; L310-W388 HydrophobicContact CD2-CZ2 4.29Å; L310-V681 HydrophobicContact CD2-CG1 3.98Å; L310-P692 HydrophobicContact CD2-CB 4.19Å; L310-A695 HydrophobicContact CD1-CB 3.92Å; L310-A695 HydrophobicContact CD2-CB 4.23Å; L310-L696 HydrophobicContact CB-CB 4.41Å; L310-L696 HydrophobicContact CB-CD1 4.24Å
311	A	93.9	Very high	94.6	Very high	39 Å²	39	32.8 Å²	32.8	32%	0.322	18%	0.182	S	C	.	.	H	α-helix	trans	-59.8	-41.7	178	0	0	0	0	0	111.8	T307 K308 M309 S314 V315 L696	T307-A311 PolarHBondContact O-N 2.88Å; T307-A311 VanDerWaalsContact O-N 3.16Å; K308-A311 WeakPolarHBondContact O-CB 3.09Å; K308-A311 PolarHBondContact O-N 2.98Å; M309-A311 VanDerWaalsContact C-N 3.27Å; M309-A311 PolarHBondContact O-N 2.58Å; A311-S314 PolarHBondContact O-N 3.3Å; A311-V315 WeakPolarHBondContact O-CG2 3.26Å; A311-V315 PolarHBondContact O-N 3.22Å; A311-L696 HydrophobicContact CB-CD1 4Å; A311-L696 HydrophobicContact CB-CD2 4.27Å
312	F	93.3	Very high	94.5	Very high	126 Å²	126	38.7 Å²	38.7	55%	0.553	21%	0.208	S	C	*	.	H	α-helix	trans	-66	-45.2	175.4	179.5	-113.6	0	0	0	112.2	M309 L310 S314 V315 V316 F384 W388	M309-F312 PolarHBondContact O-N 2.88Å; L310-F312 VanDerWaalsContact C-N 3.3Å; L310-F312 PolarHBondContact O-N 3.06Å; F312-S314 VanDerWaalsContact C-N 3.29Å; F312-S314 PolarHBondContact O-N 2.99Å; F312-V315 PolarHBondContact O-N 2.6Å; F312-V316 PolarHBondContact O-N 3.27Å; F312-F384 HydrophobicContact CD1-CE2 4.43Å; F312-F384 AromaticContact CD1-CZ 3.97Å; F312-F384 HydrophobicContact CD1-CZ 3.97Å; F312-F384 AromaticContact CE1-CE2 3.62Å; F312-F384 HydrophobicContact CE1-CE2 3.62Å; F312-F384 AromaticContact CE1-CZ 3.6Å; F312-F384 HydrophobicContact CE1-CZ 3.6Å; F312-F384 HydrophobicContact CZ-CE2 4.02Å; F312-F384 HydrophobicContact CZ-CZ 4.25Å; F312-W388 AromaticContact CD1-CD1 3.94Å
313	A	95.4	Very high	94.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-35.6	175	0	0	0	0	0	112.9	M309 L310 V316 G317 F384 M385 W388 P692	M309-A313 PolarHBondContact O-N 3.45Å; L310-A313 PolarHBondContact O-N 3.12Å; A313-V316 PolarHBondContact O-N 3.17Å; A313-G317 PolarHBondContact O-N 3.05Å; A313-F384 HydrophobicContact CB-CE1 4.47Å; A313-M385 HydrophobicContact CB-CE 4.49Å; A313-M385 HydrophobicContact CB-SD 3.86Å; A313-W388 HydrophobicContact CB-CD2 4.13Å; A313-W388 HydrophobicContact CB-CG 4.36Å; A313-W388 HydrophobicContact CB-CZ2 4.29Å; A313-P692 HydrophobicContact CB-CB 3.96Å; A313-P692 HydrophobicContact CB-CG 4.33Å
314	S	96.1	Very high	94.2	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-66.4	-39.7	179.1	-59.1	0	0	0	0	112.6	L310 A311 F312 V316 G317 L318 P692 F693	L310-S314 VanDerWaalsContact O-CB 3.32Å; L310-S314 WeakPolarHBondContact O-CB 3.36Å; L310-S314 PolarHBondContact O-N 2.86Å; L310-S314 PolarHBondContact O-OG 2.87Å; A311-S314 PolarHBondContact O-N 3.3Å; F312-S314 VanDerWaalsContact C-N 3.29Å; F312-S314 PolarHBondContact O-N 2.99Å; S314-V316 VanDerWaalsContact C-N 3.35Å; S314-G317 PolarHBondContact O-N 3.16Å; S314-L318 VanDerWaalsContact O-CB 3.32Å; S314-L318 WeakPolarHBondContact O-CB 3.37Å; S314-L318 VanDerWaalsContact O-CG 3.26Å; S314-L318 WeakPolarHBondContact O-CG 3.43Å; S314-L318 PolarHBondContact O-N 3.31Å; S314-P692 PolarHBondContact OG-O 2.99Å; S314-P692 VanDerWaalsContact OG-O 3.06Å; S314-F693 WeakPolarHBondContact OG-CA 3.42Å; S314-F693 PolarHBondContact OG-N 2.68Å
315	V	95.5	Very high	94.1	Very high	100 Å²	100	51.3 Å²	51.3	61%	0.606	25%	0.254	S	S	*	.	H	α-helix	trans	-61.7	-44.3	176.5	170.3	0	0	0	0	110.7	A311 F312 A319	A311-V315 WeakPolarHBondContact O-CG2 3.26Å; A311-V315 PolarHBondContact O-N 3.22Å; F312-V315 PolarHBondContact O-N 2.6Å; V315-A319 WeakPolarHBondContact O-CB 3.44Å; V315-A319 PolarHBondContact O-N 2.85Å
316	V	95	Very high	93.9	Very high	39 Å²	39	57.2 Å²	57.2	24%	0.236	28%	0.282	C	S	.	.	H	α-helix	trans	-69.8	-42.5	178.2	-174.8	0	0	0	0	111.2	F312 A313 S314 L318 A319 C320 F381 F384	F312-V316 PolarHBondContact O-N 3.27Å; A313-V316 PolarHBondContact O-N 3.17Å; S314-V316 VanDerWaalsContact C-N 3.35Å; V316-L318 PolarHBondContact O-N 2.7Å; V316-A319 PolarHBondContact O-N 3.27Å; V316-C320 PolarHBondContact O-N 2.72Å; V316-C320 PolarHBondContact O-SG 3.28Å; V316-C320 VanDerWaalsContact O-SG 3.33Å; V316-F381 HydrophobicContact CB-CD2 4.34Å; V316-F381 HydrophobicContact CB-CE2 3.93Å; V316-F381 HydrophobicContact CG1-CD2 3.73Å; V316-F381 HydrophobicContact CG1-CE2 3.85Å; V316-F384 HydrophobicContact CB-CD1 4.32Å; V316-F384 HydrophobicContact CB-CE1 3.87Å; V316-F384 HydrophobicContact CB-CZ 4Å; V316-F384 HydrophobicContact CG1-CD1 4.02Å; V316-F384 HydrophobicContact CG1-CE1 4.07Å; V316-F384 HydrophobicContact CG1-CG 4.26Å; V316-F384 HydrophobicContact CG1-CZ 4.34Å; V316-F384 HydrophobicContact CG2-CE1 4.04Å; V316-F384 HydrophobicContact CG2-CE2 3.97Å; V316-F384 HydrophobicContact CG2-CZ 3.62Å
317	G	94.4	Very high	93.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-40.7	177.3	0	0	0	0	0	113.5	A313 S314 C320 F321 F381 P689	A313-G317 PolarHBondContact O-N 3.05Å; S314-G317 PolarHBondContact O-N 3.16Å; G317-C320 PolarHBondContact O-N 3.08Å; G317-F321 PolarHBondContact O-N 3.47Å; G317-F381 VanDerWaalsContact N-CE2 3.35Å; G317-P689 WeakPolarHBondContact CA-O 3.49Å
318	L	94.8	Very high	93.3	Very high	45 Å²	45	60 Å²	60	24%	0.236	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-44.1	172.1	-75.3	167.5	0	0	0	111.7	S314 V316 C320 F321 F322 L690 F693	S314-L318 VanDerWaalsContact O-CB 3.32Å; S314-L318 WeakPolarHBondContact O-CB 3.37Å; S314-L318 VanDerWaalsContact O-CG 3.26Å; S314-L318 WeakPolarHBondContact O-CG 3.43Å; S314-L318 PolarHBondContact O-N 3.31Å; V316-L318 PolarHBondContact O-N 2.7Å; L318-C320 VanDerWaalsContact C-N 3.33Å; L318-C320 PolarHBondContact O-N 2.98Å; L318-F321 PolarHBondContact O-N 3.25Å; L318-F322 HydrophobicContact CB-CD2 4.46Å; L318-F322 HydrophobicContact CB-CE2 4.31Å; L318-F322 HydrophobicContact CD2-CE2 4.33Å; L318-F322 WeakPolarHBondContact O-CD2 3.48Å; L318-F322 PolarHBondContact O-N 2.85Å; L318-L690 HydrophobicContact CD2-CD2 3.71Å; L318-F693 HydrophobicContact CD1-CD2 3.81Å; L318-F693 HydrophobicContact CD1-CE2 4.24Å; L318-F693 HydrophobicContact CD1-CG 4.27Å; L318-F693 HydrophobicContact CD2-CG 4.3Å; L318-F693 HydrophobicContact CG-CB 4.45Å; L318-F693 HydrophobicContact CG-CD2 4.44Å; L318-F693 HydrophobicContact CG-CG 4.41Å
319	A	94.1	Very high	93	Very high	59 Å²	59	58.4 Å²	58.4	49%	0.488	29%	0.289	S	S	.	.	H	α-helix	trans	-60.6	-41.8	176.4	0	0	0	0	0	111.9	V315 V316 Y323	V315-A319 WeakPolarHBondContact O-CB 3.44Å; V315-A319 PolarHBondContact O-N 2.85Å; V316-A319 PolarHBondContact O-N 3.27Å; A319-Y323 VanDerWaalsContact O-CB 3.31Å; A319-Y323 WeakPolarHBondContact O-CB 3.37Å; A319-Y323 PolarHBondContact O-N 2.77Å
320	C	93.6	Very high	92.7	Very high	16 Å²	16	62.1 Å²	62.1	11%	0.108	31%	0.309	C	S	.	.	H	α-helix	trans	-62.4	-42.7	173.2	-68.3	0	0	0	0	112.2	V316 G317 L318 Y323 G324 H375	V316-C320 PolarHBondContact O-N 2.72Å; V316-C320 PolarHBondContact O-SG 3.28Å; V316-C320 VanDerWaalsContact O-SG 3.33Å; G317-C320 PolarHBondContact O-N 3.08Å; L318-C320 VanDerWaalsContact C-N 3.33Å; L318-C320 PolarHBondContact O-N 2.98Å; C320-Y323 WeakPolarHBondContact O-CB 3.37Å; C320-Y323 PolarHBondContact O-N 2.91Å; C320-G324 PolarHBondContact O-N 2.87Å; C320-H375 PolarHBondContact O-NE2 3.26Å
321	F	93.1	Very high	92.3	Very high	44 Å²	44	63 Å²	63	19%	0.193	32%	0.315	C	S	.	.	H	α-helix	trans	-64.2	-45.7	177.4	179.5	-98.1	0	0	0	112.9	G317 L318 Y323 G324 Y325 I372 F373 L690	G317-F321 PolarHBondContact O-N 3.47Å; L318-F321 PolarHBondContact O-N 3.25Å; F321-Y323 VanDerWaalsContact C-N 3.32Å; F321-Y323 PolarHBondContact O-N 3.45Å; F321-G324 PolarHBondContact O-N 2.94Å; F321-Y325 PolarHBondContact O-N 3.21Å; F321-I372 HydrophobicContact CD2-CG2 3.69Å; F321-I372 HydrophobicContact CE2-CG2 3.45Å; F321-I372 VanDerWaalsContact CE2-CG2 3.45Å; F321-I372 HydrophobicContact CG-CG2 4.49Å; F321-I372 HydrophobicContact CZ-CG2 4.07Å; F321-F373 HydrophobicContact CD2-CE1 4.28Å; F321-F373 HydrophobicContact CE2-CE1 4.11Å; F321-F373 HydrophobicContact CE2-CZ 4.05Å; F321-L690 HydrophobicContact CB-CD2 3.86Å; F321-L690 HydrophobicContact CB-CG 4.32Å; F321-L690 HydrophobicContact CD1-CD1 4.39Å; F321-L690 HydrophobicContact CD1-CD2 4.12Å; F321-L690 HydrophobicContact CD2-CD1 3.79Å; F321-L690 HydrophobicContact CD2-CD2 4.22Å; F321-L690 HydrophobicContact CD2-CG 3.91Å; F321-L690 HydrophobicContact CE1-CD1 4.37Å; F321-L690 HydrophobicContact CE2-CD1 3.76Å; F321-L690 HydrophobicContact CE2-CG 4.39Å; F321-L690 HydrophobicContact CG-CD1 4.12Å; F321-L690 HydrophobicContact CG-CD2 3.8Å; F321-L690 HydrophobicContact CG-CG 4.02Å; F321-L690 HydrophobicContact CZ-CD1 4.06Å
322	F	93.1	Very high	92.1	Very high	127 Å²	127	64 Å²	64	56%	0.557	32%	0.318	S	S	*	.	H	α-helix	trans	-66.3	-33.7	176.7	-71.6	-59.3	0	0	0	112.7	L318 Y325 H326	L318-F322 HydrophobicContact CB-CD2 4.46Å; L318-F322 HydrophobicContact CB-CE2 4.31Å; L318-F322 HydrophobicContact CD2-CE2 4.33Å; L318-F322 WeakPolarHBondContact O-CD2 3.48Å; L318-F322 PolarHBondContact O-N 2.85Å; F322-Y325 PolarHBondContact O-N 3.46Å; F322-H326 PolarHBondContact O-N 3.45Å
323	Y	92.9	Very high	91.8	Very high	130 Å²	130	59 Å²	59	51%	0.51	30%	0.295	S	S	.	.	H	α-helix	trans	-62.2	-43.6	171.4	177.5	-101.1	0	0	0	111.7	A319 C320 F321 H326 I327	A319-Y323 VanDerWaalsContact O-CB 3.31Å; A319-Y323 WeakPolarHBondContact O-CB 3.37Å; A319-Y323 PolarHBondContact O-N 2.77Å; C320-Y323 WeakPolarHBondContact O-CB 3.37Å; C320-Y323 PolarHBondContact O-N 2.91Å; F321-Y323 VanDerWaalsContact C-N 3.32Å; F321-Y323 PolarHBondContact O-N 3.45Å; Y323-H326 PolarHBondContact O-N 3.12Å; Y323-I327 HydrophobicContact CD1-CD1 3.83Å; Y323-I327 HydrophobicContact CD2-CD1 4.14Å; Y323-I327 HydrophobicContact CE1-CD1 3.37Å; Y323-I327 HydrophobicContact CE2-CD1 3.71Å; Y323-I327 HydrophobicContact CG-CD1 4.19Å; Y323-I327 WeakPolarHBondContact O-CG1 3.12Å; Y323-I327 PolarHBondContact O-N 2.97Å
324	G	91.6	Very high	91.6	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-47.1	173.4	0	0	0	0	0	113.6	C320 F321 H326 I327 Q328 H375	C320-G324 PolarHBondContact O-N 2.87Å; F321-G324 PolarHBondContact O-N 2.94Å; G324-H326 VanDerWaalsContact C-N 3.28Å; G324-H326 PolarHBondContact O-N 3.47Å; G324-I327 PolarHBondContact O-N 3.42Å; G324-Q328 PolarHBondContact O-N 3.18Å; G324-H375 WeakPolarHBondContact CA-CD2 3.3Å
325	Y	91.9	Very high	91.3	Very high	147 Å²	147	63.7 Å²	63.7	58%	0.576	32%	0.316	S	S	*	.	H	α-helix	trans	-57.9	-39	176.9	-175.1	-108.3	0	0	0	112.4	F321 F322 I327 Q328 I372	F321-Y325 PolarHBondContact O-N 3.21Å; F322-Y325 PolarHBondContact O-N 3.46Å; Y325-I327 VanDerWaalsContact C-N 3.28Å; Y325-I327 PolarHBondContact O-N 3.37Å; Y325-Q328 WeakPolarHBondContact O-CB 3.45Å; Y325-I372 HydrophobicContact CD2-CD1 4.48Å
326	H	91.8	Very high	91.1	Very high	148 Å²	148	59.7 Å²	59.7	69%	0.685	29%	0.29	S	S	*	.	H	α-helix	trans	-70.4	-20.6	175.4	-170.1	-79.1	0	0	0	113.8	F322 Y323 G324	F322-H326 PolarHBondContact O-N 3.45Å; Y323-H326 PolarHBondContact O-N 3.12Å; G324-H326 VanDerWaalsContact C-N 3.28Å; G324-H326 PolarHBondContact O-N 3.47Å
327	I	88.7	Confident	90.9	Very high	47 Å²	47	58 Å²	58	24%	0.241	28%	0.28	C	S	.	.	H	α-helix	trans	-95.3	-16.5	-178.8	-71.8	170.8	0	0	0	112.5	Y323 G324 Y325 E329 N330 S331	Y323-I327 HydrophobicContact CD1-CD1 3.83Å; Y323-I327 HydrophobicContact CD2-CD1 4.14Å; Y323-I327 HydrophobicContact CE1-CD1 3.37Å; Y323-I327 HydrophobicContact CE2-CD1 3.71Å; Y323-I327 HydrophobicContact CG-CD1 4.19Å; Y323-I327 WeakPolarHBondContact O-CG1 3.12Å; Y323-I327 PolarHBondContact O-N 2.97Å; G324-I327 PolarHBondContact O-N 3.42Å; Y325-I327 VanDerWaalsContact C-N 3.28Å; Y325-I327 PolarHBondContact O-N 3.37Å; I327-E329 PolarHBondContact O-N 3.37Å; I327-N330 WeakPolarHBondContact O-CA 3.29Å; I327-N330 PolarHBondContact O-N 3.21Å; I327-S331 PolarHBondContact O-N 3.16Å; I327-S331 VanDerWaalsContact O-N 3.08Å
328	Q	88.8	Confident	90.7	Very high	28 Å²	28	59.3 Å²	59.3	13%	0.131	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-50.1	-177.1	177.3	175.6	-12.6	0	0	114.5	G324 Y325 N330 S331 K368 T371 I372	G324-Q328 PolarHBondContact O-N 3.18Å; Y325-Q328 WeakPolarHBondContact O-CB 3.45Å; Q328-N330 VanDerWaalsContact C-N 3.26Å; Q328-N330 PolarHBondContact O-N 3.12Å; Q328-S331 PolarHBondContact O-OG 2.94Å; Q328-K368 HydrophobicContact CG-CB 4.27Å; Q328-T371 VanDerWaalsContact CA-OG1 3.29Å; Q328-T371 WeakPolarHBondContact CA-OG1 3.39Å; Q328-I372 VanDerWaalsContact OE1-CD1 3.26Å
329	E	86.2	Confident	90.6	Very high	100 Å²	100	60 Å²	60	47%	0.467	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	6.3	178.9	-61.7	-59	151	0	0	113.7	I327 K335 K368	I327-E329 PolarHBondContact O-N 3.37Å; E329-K335 WeakPolarHBondContact O-CE 3.49Å; E329-K335 PolarHBondContact O-NZ 2.83Å; E329-K368 WeakPolarHBondContact OE1-CE 3.49Å; E329-K368 IonicContact OE1-NZ 2.82Å; E329-K368 PolarHBondContact OE1-NZ 3.42Å; E329-K368 IonicContact OE2-NZ 2.69Å; E329-K368 PolarHBondContact OE2-NZ 3.21Å
330	N	87.4	Confident	90.5	Very high	106 Å²	106	61.4 Å²	61.4	57%	0.567	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	-22.6	-179	-81.4	-43	0	0	0	114.5	I327 Q328 T332	I327-N330 WeakPolarHBondContact O-CA 3.29Å; I327-N330 PolarHBondContact O-N 3.21Å; Q328-N330 VanDerWaalsContact C-N 3.26Å; Q328-N330 PolarHBondContact O-N 3.12Å; N330-T332 PolarHBondContact O-N 3Å
331	S	87.6	Confident	90.4	Very high	18 Å²	18	65.7 Å²	65.7	13%	0.126	32%	0.319	C	S	.	.			trans	-64.8	131.5	179.6	53	0	0	0	0	113.3	I327 Q328 S334 K335 T371	I327-S331 PolarHBondContact O-N 3.16Å; I327-S331 VanDerWaalsContact O-N 3.08Å; Q328-S331 PolarHBondContact O-OG 2.94Å; S331-S334 PolarHBondContact O-OG 3.36Å; S331-S334 VanDerWaalsContact O-OG 3.09Å; S331-S334 PolarHBondContact OG-OG 2.91Å; S331-K335 WeakPolarHBondContact O-CG 3.34Å; S331-K335 PolarHBondContact O-N 3.14Å; S331-T371 WeakPolarHBondContact OG-CG2 3.33Å
332	T	89.1	Confident	90.2	Very high	61 Å²	61	66.8 Å²	66.8	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-66.5	-44	-175.8	56.4	0	0	0	0	113.3	N330 S334 K335 E336 M774	N330-T332 PolarHBondContact O-N 3Å; T332-S334 VanDerWaalsContact C-N 3.34Å; T332-S334 PolarHBondContact O-N 2.87Å; T332-K335 WeakPolarHBondContact O-CA 3.47Å; T332-K335 WeakPolarHBondContact O-CB 3.31Å; T332-K335 PolarHBondContact O-N 3.15Å; T332-K335 VanDerWaalsContact O-N 3.14Å; T332-E336 PolarHBondContact O-N 2.8Å; T332-M774 WeakPolarHBondContact OG1-CB 3.5Å; T332-M774 VanDerWaalsContact OG1-CG 3.23Å; T332-M774 WeakPolarHBondContact OG1-CG 3.32Å
333	W	87.8	Confident	89.9	Confident	20 Å²	20	60.7 Å²	60.7	8%	0.076	30%	0.299	C	S	.	.	H	α-helix	trans	-67.4	-32.1	-173.9	72.9	-88.9	0	0	0	112.9	E336 V337 S367 L370 T371 R756 F777 I778	W333-E336 PolarHBondContact O-N 2.82Å; W333-V337 PolarHBondContact O-N 2.8Å; W333-S367 VanDerWaalsContact CH2-O 3.32Å; W333-S367 WeakPolarHBondContact CH2-O 3.3Å; W333-L370 HydrophobicContact CH2-CB 4.11Å; W333-L370 HydrophobicContact CH2-CD2 3.59Å; W333-L370 HydrophobicContact CH2-CG 4.3Å; W333-L370 HydrophobicContact CZ2-CD2 4.17Å; W333-L370 HydrophobicContact CZ3-CD2 4.37Å; W333-T371 HydrophobicContact CH2-CG2 4.08Å; W333-T371 HydrophobicContact CZ2-CG2 3.35Å; W333-R756 VanDerWaalsContact NE1-NH1 3.11Å; W333-F777 HydrophobicContact CB-CD1 4.06Å; W333-I778 HydrophobicContact CE3-CD1 4.37Å
334	S	89.9	Confident	89.6	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.014	29%	0.288	C	S	.	.	H	α-helix	trans	-73.1	-34.1	173.9	63.6	0	0	0	0	111.3	S331 T332 V337 C338	S331-S334 PolarHBondContact O-OG 3.36Å; S331-S334 VanDerWaalsContact O-OG 3.09Å; S331-S334 PolarHBondContact OG-OG 2.91Å; T332-S334 VanDerWaalsContact C-N 3.34Å; T332-S334 PolarHBondContact O-N 2.87Å; S334-V337 PolarHBondContact O-N 3.48Å; S334-C338 WeakPolarHBondContact O-CB 3.49Å; S334-C338 PolarHBondContact O-N 2.97Å; S334-C338 PolarHBondContact O-SG 3.44Å
335	K	91.3	Very high	89.5	Confident	100 Å²	100	62.2 Å²	62.2	44%	0.435	32%	0.316	S	S	.	.	H	α-helix	trans	-61.2	-45.5	170.2	-69.1	173.8	179.5	176.6	0	111.1	E329 S331 T332 V337 C338 D339	E329-K335 WeakPolarHBondContact O-CE 3.49Å; E329-K335 PolarHBondContact O-NZ 2.83Å; S331-K335 WeakPolarHBondContact O-CG 3.34Å; S331-K335 PolarHBondContact O-N 3.14Å; T332-K335 WeakPolarHBondContact O-CA 3.47Å; T332-K335 WeakPolarHBondContact O-CB 3.31Å; T332-K335 PolarHBondContact O-N 3.15Å; T332-K335 VanDerWaalsContact O-N 3.14Å; K335-V337 VanDerWaalsContact C-N 3.27Å; K335-V337 PolarHBondContact O-N 3.37Å; K335-C338 PolarHBondContact O-N 2.88Å; K335-C338 VanDerWaalsContact O-N 3.15Å; K335-D339 WeakPolarHBondContact O-CB 3.07Å; K335-D339 PolarHBondContact O-N 2.77Å
336	E	90.9	Very high	89.5	Confident	17 Å²	17	55.8 Å²	55.8	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-57.8	-35.4	175.4	-73.9	176.6	-164.4	0	0	113.7	T332 W333 I342 G343 S775 G776 F777 I778	T332-E336 PolarHBondContact O-N 2.8Å; W333-E336 PolarHBondContact O-N 2.82Å; E336-I342 HydrophobicContact CB-CG2 4.42Å; E336-I342 HydrophobicContact CG-CD1 4.21Å; E336-G343 WeakPolarHBondContact O-CA 3.2Å; E336-G343 PolarHBondContact O-N 3.43Å; E336-S775 VanDerWaalsContact OE1-CA 3.24Å; E336-S775 WeakPolarHBondContact OE1-CA 3.17Å; E336-G776 PolarHBondContact OE1-N 2.8Å; E336-F777 PolarHBondContact OE2-N 3.07Å; E336-I778 HydrophobicContact CB-CB 4.08Å; E336-I778 HydrophobicContact CB-CG1 3.69Å; E336-I778 WeakPolarHBondContact OE2-CB 3.24Å; E336-I778 WeakPolarHBondContact OE2-CG1 3.42Å; E336-I778 PolarHBondContact OE2-N 3.37Å
337	V	89.9	Confident	89.4	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.024	27%	0.271	C	S	.	.	H	α-helix	trans	-71.1	-45	174.3	172.7	0	0	0	0	111.7	W333 S334 K335 D339 L360 N361 I778	W333-V337 PolarHBondContact O-N 2.8Å; S334-V337 PolarHBondContact O-N 3.48Å; K335-V337 VanDerWaalsContact C-N 3.27Å; K335-V337 PolarHBondContact O-N 3.37Å; V337-D339 VanDerWaalsContact C-N 3.35Å; V337-L360 HydrophobicContact CG1-CG 4.32Å; V337-L360 HydrophobicContact CG2-CD2 4.39Å; V337-N361 WeakPolarHBondContact O-CA 3.47Å; V337-I778 HydrophobicContact CG2-CD1 3.76Å; V337-I778 HydrophobicContact CG2-CG1 4Å
338	C	91.3	Very high	89.3	Confident	27 Å²	27	48.8 Å²	48.8	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-75.7	-19.5	-178.2	-66.1	0	0	0	0	114.2	S334 K335 P340 N361 C364	S334-C338 WeakPolarHBondContact O-CB 3.49Å; S334-C338 PolarHBondContact O-N 2.97Å; S334-C338 PolarHBondContact O-SG 3.44Å; K335-C338 PolarHBondContact O-N 2.88Å; K335-C338 VanDerWaalsContact O-N 3.15Å; C338-P340 WeakPolarHBondContact O-CD 3.45Å; C338-N361 WeakPolarHBondContact CA-OD1 3.42Å; C338-N361 PolarHBondContact O-ND2 2.86Å; C338-N361 PolarHBondContact O-OD1 3.29Å; C338-C364 HydrophobicContact CB-CB 3.92Å; C338-C364 WeakPolarHBondContact CB-SG 3.49Å; C338-C364 VanDerWaalsContact SG-CA 3.51Å; C338-C364 WeakPolarHBondContact SG-CB 3.24Å; C338-C364 CovalentContact SG-SG 2.04Å; C338-C364 PolarHBondContact SG-SG 3.42Å
339	D	92.2	Very high	89.2	Confident	58 Å²	58	47.9 Å²	47.9	31%	0.31	26%	0.258	S	S	.	.			trans	-68.9	119.5	-177	-174.1	-20.6	0	0	0	110.6	K335 V337 D341 I342 G343 G344	K335-D339 WeakPolarHBondContact O-CB 3.07Å; K335-D339 PolarHBondContact O-N 2.77Å; V337-D339 VanDerWaalsContact C-N 3.35Å; D339-D341 PolarHBondContact O-N 3.43Å; D339-D341 WeakPolarHBondContact OD1-CA 3.31Å; D339-D341 WeakPolarHBondContact OD1-CB 3.33Å; D339-D341 PolarHBondContact OD1-N 3.3Å; D339-I342 HydrophobicContact CB-CB 4.16Å; D339-I342 HydrophobicContact CB-CD1 4.47Å; D339-I342 HydrophobicContact CB-CG1 4.33Å; D339-I342 CarbonylContact O-C 3.15Å; D339-I342 PolarHBondContact O-N 3.42Å; D339-G343 PolarHBondContact O-N 2.87Å; D339-G344 PolarHBondContact O-N 2.9Å
340	P	91.6	Very high	89	Confident	89 Å²	89	43.6 Å²	43.6	58%	0.578	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.2	177.9	28.4	-35.8	0	0	0	113.1	C338 G344	C338-P340 WeakPolarHBondContact O-CD 3.45Å; P340-G344 VanDerWaalsContact O-CA 3.27Å; P340-G344 WeakPolarHBondContact O-CA 3.43Å
341	D	91.1	Very high	88.5	Confident	107 Å²	107	40.1 Å²	40.1	57%	0.572	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-19.2	177.1	-89.3	-58.7	0	0	0	113.3	D339 K345	D339-D341 PolarHBondContact O-N 3.43Å; D339-D341 WeakPolarHBondContact OD1-CA 3.31Å; D339-D341 WeakPolarHBondContact OD1-CB 3.33Å; D339-D341 PolarHBondContact OD1-N 3.3Å; D341-K345 WeakPolarHBondContact O-CD 3.45Å; D341-K345 PolarHBondContact O-NZ 2.84Å; D341-K345 IonicContact OD1-NZ 3.88Å; D341-K345 PolarHBondContact OD1-NZ 3.25Å
342	I	89.1	Confident	87.9	Confident	66 Å²	66	39.4 Å²	39.4	34%	0.338	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-81.8	177.2	-53.8	175.3	0	0	0	109.9	E336 D339 G344 K345 I346	E336-I342 HydrophobicContact CB-CG2 4.42Å; E336-I342 HydrophobicContact CG-CD1 4.21Å; D339-I342 HydrophobicContact CB-CB 4.16Å; D339-I342 HydrophobicContact CB-CD1 4.47Å; D339-I342 HydrophobicContact CB-CG1 4.33Å; D339-I342 CarbonylContact O-C 3.15Å; D339-I342 PolarHBondContact O-N 3.42Å; I342-G344 PolarHBondContact O-N 3.18Å; I342-K345 PolarHBondContact O-N 3.4Å; I342-I346 HydrophobicContact CG2-CD1 4.45Å; I342-I346 PolarHBondContact O-N 3.39Å
343	G	86.7	Confident	87.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-59.8	-27.8	178.8	0	0	0	0	0	114.1	E336 D339 K345 I346 I359 N361	E336-G343 WeakPolarHBondContact O-CA 3.2Å; E336-G343 PolarHBondContact O-N 3.43Å; D339-G343 PolarHBondContact O-N 2.87Å; G343-K345 VanDerWaalsContact C-N 3.29Å; G343-K345 PolarHBondContact O-N 3.33Å; G343-I346 PolarHBondContact O-N 2.79Å; G343-I359 WeakPolarHBondContact O-CG2 3.49Å; G343-N361 PolarHBondContact O-N 2.93Å
344	G	87.5	Confident	86.2	Confident	26 Å²	26	39.2 Å²	39.2	27%	0.268	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-68.7	-21.4	172.9	0	0	0	0	0	114.8	D339 P340 I342 I359	D339-G344 PolarHBondContact O-N 2.9Å; P340-G344 VanDerWaalsContact O-CA 3.27Å; P340-G344 WeakPolarHBondContact O-CA 3.43Å; I342-G344 PolarHBondContact O-N 3.18Å; G344-I359 WeakPolarHBondContact O-CG2 3.4Å
345	K	89.9	Confident	85.4	Confident	136 Å²	136	40 Å²	40	59%	0.591	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-95.3	-9.7	176.2	-57.9	-166.4	-173	109.6	0	113.6	D341 I342 G343 V347	D341-K345 WeakPolarHBondContact O-CD 3.45Å; D341-K345 PolarHBondContact O-NZ 2.84Å; D341-K345 IonicContact OD1-NZ 3.88Å; D341-K345 PolarHBondContact OD1-NZ 3.25Å; I342-K345 PolarHBondContact O-N 3.4Å; G343-K345 VanDerWaalsContact C-N 3.29Å; G343-K345 PolarHBondContact O-N 3.33Å; K345-V347 PolarHBondContact O-N 2.86Å
346	I	90.4	Very high	84.7	Confident	12 Å²	12	40.7 Å²	40.7	6%	0.062	23%	0.225	C	C	.	.			trans	-86.7	101.8	-178.5	-65.4	169.6	0	0	0	110	I342 G343 M348 L360 I778 L782 R809	I342-I346 HydrophobicContact CG2-CD1 4.45Å; I342-I346 PolarHBondContact O-N 3.39Å; G343-I346 PolarHBondContact O-N 2.79Å; I346-M348 HydrophobicContact CG2-CG 4.1Å; I346-M348 HydrophobicContact CG2-SD 3.85Å; I346-L360 HydrophobicContact CB-CB 3.99Å; I346-L360 HydrophobicContact CB-CD2 4.29Å; I346-L360 HydrophobicContact CD1-CD2 4Å; I346-L360 HydrophobicContact CG2-CB 4.03Å; I346-L360 HydrophobicContact CG2-CD2 4.11Å; I346-L360 PolarHBondContact O-N 2.85Å; I346-I778 HydrophobicContact CD1-CG2 3.98Å; I346-L782 HydrophobicContact CD1-CD1 4.44Å; I346-L782 HydrophobicContact CG2-CD1 3.93Å; I346-R809 HydrophobicContact CG2-CB 4.28Å; I346-R809 HydrophobicContact CG2-CG 4.39Å
347	V	89.4	Confident	84.2	Confident	41 Å²	41	41.9 Å²	41.9	25%	0.248	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	128.3	168.8	179.6	0	0	0	0	109.7	K345 Y357 I805 R809	K345-V347 PolarHBondContact O-N 2.86Å; V347-Y357 HydrophobicContact CG1-CD1 4.25Å; V347-I805 HydrophobicContact CG1-CD1 4.14Å; V347-I805 HydrophobicContact CG1-CG2 4.04Å; V347-R809 PolarHBondContact O-N 3.32Å
348	M	87.8	Confident	83.9	Confident	7 Å²	7	44.3 Å²	44.3	3%	0.034	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	147.6	-176.7	-66.7	-74.4	-71	0	0	111.6	I346 W358 L360 L782 R809	I346-M348 HydrophobicContact CG2-CG 4.1Å; I346-M348 HydrophobicContact CG2-SD 3.85Å; M348-W358 HydrophobicContact CB-CD2 3.9Å; M348-W358 HydrophobicContact CB-CE3 4.26Å; M348-W358 HydrophobicContact CB-CH2 3.48Å; M348-W358 VanDerWaalsContact CB-CH2 3.48Å; M348-W358 HydrophobicContact CB-CZ2 3.15Å; M348-W358 HydrophobicContact CB-CZ3 4.09Å; M348-W358 HydrophobicContact CE-CH2 3.79Å; M348-W358 HydrophobicContact CE-CZ2 3.86Å; M348-W358 HydrophobicContact CG-CH2 3.41Å; M348-W358 VanDerWaalsContact CG-CH2 3.41Å; M348-W358 HydrophobicContact CG-CZ2 3.66Å; M348-W358 HydrophobicContact CG-CZ3 3.97Å; M348-W358 PolarHBondContact N-O 2.89Å; M348-W358 HydrophobicContact SD-CH2 4.44Å; M348-L360 HydrophobicContact CG-CB 4.29Å; M348-L360 HydrophobicContact CG-CD1 4.36Å; M348-L782 HydrophobicContact CE-CD2 3.91Å; M348-L782 HydrophobicContact SD-CD1 3.91Å; M348-L782 HydrophobicContact SD-CD2 4.18Å; M348-R809 CarbonylContact C-O 3.59Å; M348-R809 WeakPolarHBondContact CA-O 3Å; M348-R809 HydrophobicContact SD-CB 3.68Å
349	C	86.8	Confident	83.7	Confident	9 Å²	9	47.1 Å²	47.1	6%	0.061	25%	0.25	C	S	.	.			trans	-69.2	152.2	-177	-56	0	0	0	0	112.2	Q351 W358 P583 C808 R809	C349-Q351 PolarHBondContact O-N 2.75Å; C349-W358 PolarHBondContact O-NE1 3.07Å; C349-W358 VanDerWaalsContact O-NE1 3.08Å; C349-P583 HydrophobicContact CB-CG 4.42Å; C349-C808 VanDerWaalsContact CA-SG 3.53Å; C349-C808 HydrophobicContact CB-CB 4Å; C349-C808 WeakPolarHBondContact CB-SG 3.38Å; C349-C808 WeakPolarHBondContact SG-CB 3.4Å; C349-C808 CovalentContact SG-SG 2.04Å; C349-C808 PolarHBondContact SG-SG 3Å; C349-R809 PolarHBondContact N-O 3.27Å; C349-R809 PolarHBondContact SG-O 2.9Å
350	P	81.8	Confident	83.5	Confident	9 Å²	9	44.7 Å²	44.7	6%	0.058	24%	0.237	C	C	.	.			trans	-70.2	128.7	178.1	27.8	-34.9	0	0	0	112	C352 C355 Y357 R594 F790	P350-C352 PolarHBondContact O-N 2.83Å; P350-C355 HydrophobicContact CB-CB 3.95Å; P350-C355 VanDerWaalsContact CB-O 3.32Å; P350-C355 WeakPolarHBondContact CB-O 3.27Å; P350-Y357 HydrophobicContact CG-CE1 4.46Å; P350-R594 PolarHBondContact O-NH2 2.9Å; P350-F790 HydrophobicContact CG-CZ 4.33Å
351	Q	76.9	Confident	83.3	Confident	33 Å²	33	42.6 Å²	42.6	15%	0.154	22%	0.222	C	C	.	.	S	Bend	trans	-75.9	-7.8	-179.3	-52.8	-167.9	-69.4	0	0	113.7	C349 R594 E597 C598	C349-Q351 PolarHBondContact O-N 2.75Å; Q351-R594 PolarHBondContact O-NE 2.72Å; Q351-E597 WeakPolarHBondContact CG-OE2 3.31Å; Q351-C598 PolarHBondContact NE2-O 3.43Å
352	C	75.6	Confident	83	Confident	4 Å²	4	41.9 Å²	41.9	3%	0.027	23%	0.225	C	C	.	.	S	Bend	trans	-147.2	158.7	177.2	86.9	0	0	0	0	112.2	P350 L354 C355 F482 F483	P350-C352 PolarHBondContact O-N 2.83Å; C352-L354 PolarHBondContact O-N 3.03Å; C352-C355 HydrophobicContact CB-CB 4.09Å; C352-C355 WeakPolarHBondContact CB-SG 3.25Å; C352-C355 WeakPolarHBondContact O-CB 3.43Å; C352-C355 PolarHBondContact O-N 3.17Å; C352-C355 WeakPolarHBondContact SG-CB 3.42Å; C352-C355 PolarHBondContact SG-N 2.99Å; C352-C355 CovalentContact SG-SG 2.05Å; C352-C355 PolarHBondContact SG-SG 3.07Å; C352-F482 HydrophobicContact CB-CE1 3.95Å; C352-F483 HydrophobicContact CB-CE1 3.77Å; C352-F483 HydrophobicContact CB-CZ 4.11Å
353	D	73.1	Confident	82.7	Confident	26 Å²	26	39.3 Å²	39.3	14%	0.139	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	0.4	-168.5	-49.6	-16.6	0	0	0	113.9	Y588 R594 V799	D353-Y588 WeakPolarHBondContact OD2-CE1 3.33Å; D353-Y588 PolarHBondContact OD2-OH 3.26Å; D353-R594 WeakPolarHBondContact OD1-CD 3.28Å; D353-R594 IonicContact OD1-CZ 2.75Å; D353-R594 IonicContact OD1-NE 3.5Å; D353-R594 IonicContact OD1-NH1 3.65Å; D353-R594 PolarHBondContact OD1-NH1 2.77Å; D353-V799 WeakPolarHBondContact O-CG2 3.27Å
354	L	68.2	Low	82.8	Confident	51 Å²	51	40.3 Å²	40.3	27%	0.267	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.3	10.8	173	-67	173.2	0	0	0	112.4	C352 I487 T796 A798	C352-L354 PolarHBondContact O-N 3.03Å; L354-I487 HydrophobicContact CD1-CD1 3.82Å; L354-I487 HydrophobicContact CD1-CG1 3.93Å; L354-T796 WeakPolarHBondContact CD2-OG1 3.06Å; L354-A798 HydrophobicContact CD2-CB 3.9Å
355	C	72.9	Confident	82.7	Confident	19 Å²	19	45 Å²	45	13%	0.128	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-89.5	151.4	-179.2	-72.1	0	0	0	0	111.1	P350 C352	P350-C355 HydrophobicContact CB-CB 3.95Å; P350-C355 VanDerWaalsContact CB-O 3.32Å; P350-C355 WeakPolarHBondContact CB-O 3.27Å; C352-C355 HydrophobicContact CB-CB 4.09Å; C352-C355 WeakPolarHBondContact CB-SG 3.25Å; C352-C355 WeakPolarHBondContact O-CB 3.43Å; C352-C355 PolarHBondContact O-N 3.17Å; C352-C355 WeakPolarHBondContact SG-CB 3.42Å; C352-C355 PolarHBondContact SG-N 2.99Å; C352-C355 CovalentContact SG-SG 2.05Å; C352-C355 PolarHBondContact SG-SG 3.07Å
356	N	76.2	Confident	82.3	Confident	114 Å²	114	40.6 Å²	40.6	61%	0.61	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-83.1	162.1	173.2	-68	1.5	0	0	0	111.4
357	Y	80.9	Confident	82.1	Confident	42 Å²	42	40.2 Å²	40.2	17%	0.165	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-62.7	150.2	161.4	-61	-86.7	0	0	0	110.5	V347 P350 T787 P802 I805 C808	V347-Y357 HydrophobicContact CG1-CD1 4.25Å; P350-Y357 HydrophobicContact CG-CE1 4.46Å; Y357-T787 HydrophobicContact CE1-CG2 4.1Å; Y357-T787 WeakPolarHBondContact OH-CG2 3.32Å; Y357-P802 HydrophobicContact CD2-CG 4.13Å; Y357-P802 HydrophobicContact CE2-CG 4.4Å; Y357-I805 HydrophobicContact CG-CD1 4.43Å; Y357-C808 HydrophobicContact CD1-CB 4.03Å; Y357-C808 HydrophobicContact CE1-CB 3.88Å
358	W	82.9	Confident	82.1	Confident	54 Å²	54	40.3 Å²	40.3	21%	0.205	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	164.1	-176.3	60.1	-80.7	0	0	0	110.3	M348 C349 L360 T363 P600	M348-W358 HydrophobicContact CB-CD2 3.9Å; M348-W358 HydrophobicContact CB-CE3 4.26Å; M348-W358 HydrophobicContact CB-CH2 3.48Å; M348-W358 VanDerWaalsContact CB-CH2 3.48Å; M348-W358 HydrophobicContact CB-CZ2 3.15Å; M348-W358 HydrophobicContact CB-CZ3 4.09Å; M348-W358 HydrophobicContact CE-CH2 3.79Å; M348-W358 HydrophobicContact CE-CZ2 3.86Å; M348-W358 HydrophobicContact CG-CH2 3.41Å; M348-W358 VanDerWaalsContact CG-CH2 3.41Å; M348-W358 HydrophobicContact CG-CZ2 3.66Å; M348-W358 HydrophobicContact CG-CZ3 3.97Å; M348-W358 PolarHBondContact N-O 2.89Å; M348-W358 HydrophobicContact SD-CH2 4.44Å; C349-W358 PolarHBondContact O-NE1 3.07Å; C349-W358 VanDerWaalsContact O-NE1 3.08Å; W358-L360 HydrophobicContact CH2-CD1 4.12Å; W358-L360 HydrophobicContact CZ3-CD1 4.21Å; W358-T363 HydrophobicContact CZ3-CG2 4.21Å; W358-P600 HydrophobicContact CH2-CB 4.01Å; W358-P600 HydrophobicContact CH2-CG 3.06Å; W358-P600 HydrophobicContact CZ2-CG 3.69Å; W358-P600 HydrophobicContact CZ3-CG 3.74Å
359	I	87.2	Confident	82.1	Confident	86 Å²	86	42.8 Å²	42.8	44%	0.441	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.4	-170.4	-60.6	170.7	0	0	0	109.4	G343 G344 N361 S362	G343-I359 WeakPolarHBondContact O-CG2 3.49Å; G344-I359 WeakPolarHBondContact O-CG2 3.4Å; I359-N361 HydrophobicContact CG2-CB 4.39Å; I359-N361 PolarHBondContact O-N 3.24Å; I359-N361 VanDerWaalsContact O-N 3.12Å; I359-S362 PolarHBondContact O-N 3.48Å; I359-S362 PolarHBondContact O-OG 2.93Å
360	L	87.1	Confident	82.1	Confident	7 Å²	7	42.5 Å²	42.5	4%	0.037	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-57.9	-32.2	-172.7	-170.2	63.9	0	0	0	114.2	V337 I346 M348 W358 S362 T363 P600 I778 L782	V337-L360 HydrophobicContact CG1-CG 4.32Å; V337-L360 HydrophobicContact CG2-CD2 4.39Å; I346-L360 HydrophobicContact CB-CB 3.99Å; I346-L360 HydrophobicContact CB-CD2 4.29Å; I346-L360 HydrophobicContact CD1-CD2 4Å; I346-L360 HydrophobicContact CG2-CB 4.03Å; I346-L360 HydrophobicContact CG2-CD2 4.11Å; I346-L360 PolarHBondContact O-N 2.85Å; M348-L360 HydrophobicContact CG-CB 4.29Å; M348-L360 HydrophobicContact CG-CD1 4.36Å; W358-L360 HydrophobicContact CH2-CD1 4.12Å; W358-L360 HydrophobicContact CZ3-CD1 4.21Å; L360-S362 PolarHBondContact O-N 2.9Å; L360-S362 VanDerWaalsContact O-N 3.14Å; L360-T363 PolarHBondContact O-N 3.35Å; L360-T363 PolarHBondContact O-OG1 3.41Å; L360-P600 HydrophobicContact CD1-CB 4.02Å; L360-I778 HydrophobicContact CD2-CG2 3.45Å; L360-I778 VanDerWaalsContact CD2-CG2 3.45Å; L360-L782 HydrophobicContact CD2-CD1 4.03Å
361	N	87.8	Confident	82.4	Confident	46 Å²	46	42.3 Å²	42.3	25%	0.246	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-59.8	-22.8	176.7	-158.2	-11.7	0	0	0	113.7	V337 C338 G343 I359 T363 C364	V337-N361 WeakPolarHBondContact O-CA 3.47Å; C338-N361 WeakPolarHBondContact CA-OD1 3.42Å; C338-N361 PolarHBondContact O-ND2 2.86Å; C338-N361 PolarHBondContact O-OD1 3.29Å; G343-N361 PolarHBondContact O-N 2.93Å; I359-N361 HydrophobicContact CG2-CB 4.39Å; I359-N361 PolarHBondContact O-N 3.24Å; I359-N361 VanDerWaalsContact O-N 3.12Å; N361-T363 PolarHBondContact O-N 2.9Å; N361-C364 VanDerWaalsContact O-CB 3.3Å; N361-C364 WeakPolarHBondContact O-CB 3.08Å; N361-C364 PolarHBondContact O-N 3.28Å
362	S	84.1	Confident	83	Confident	92 Å²	92	41.4 Å²	41.4	64%	0.643	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-66.3	-7.5	173.8	75.1	0	0	0	0	113.9	I359 L360	I359-S362 PolarHBondContact O-N 3.48Å; I359-S362 PolarHBondContact O-OG 2.93Å; L360-S362 PolarHBondContact O-N 2.9Å; L360-S362 VanDerWaalsContact O-N 3.14Å
363	T	84.4	Confident	83.6	Confident	11 Å²	11	42.2 Å²	42.2	7%	0.067	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-104.2	19.8	170.6	59.6	0	0	0	0	113.7	W358 L360 N361 T366 S367 P600	W358-T363 HydrophobicContact CZ3-CG2 4.21Å; L360-T363 PolarHBondContact O-N 3.35Å; L360-T363 PolarHBondContact O-OG1 3.41Å; N361-T363 PolarHBondContact O-N 2.9Å; T363-T366 WeakPolarHBondContact CB-OG1 3.3Å; T363-T366 PolarHBondContact O-OG1 2.93Å; T363-T366 VanDerWaalsContact O-OG1 3.11Å; T363-S367 WeakPolarHBondContact O-CB 3.39Å; T363-S367 PolarHBondContact O-N 2.7Å; T363-S367 PolarHBondContact O-OG 3.2Å; T363-P600 HydrophobicContact CG2-CB 4.33Å; T363-P600 HydrophobicContact CG2-CG 3.93Å
364	C	87.4	Confident	84.3	Confident	21 Å²	21	41.2 Å²	41.2	14%	0.142	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-52.3	176.8	173	0	0	0	0	112.5	C338 N361 T366 S367 K368	C338-C364 HydrophobicContact CB-CB 3.92Å; C338-C364 WeakPolarHBondContact CB-SG 3.49Å; C338-C364 VanDerWaalsContact SG-CA 3.51Å; C338-C364 WeakPolarHBondContact SG-CB 3.24Å; C338-C364 CovalentContact SG-SG 2.04Å; C338-C364 PolarHBondContact SG-SG 3.42Å; N361-C364 VanDerWaalsContact O-CB 3.3Å; N361-C364 WeakPolarHBondContact O-CB 3.08Å; N361-C364 PolarHBondContact O-N 3.28Å; C364-T366 PolarHBondContact O-N 2.7Å; C364-S367 PolarHBondContact O-N 3.03Å; C364-K368 WeakPolarHBondContact O-CB 3.4Å; C364-K368 WeakPolarHBondContact O-CG 3.49Å; C364-K368 PolarHBondContact O-N 3.29Å
365	D	84.9	Confident	85.4	Confident	124 Å²	124	39.4 Å²	39.4	66%	0.663	21%	0.214	S	C	*	.	H	α-helix	trans	-70	-34.9	-176.3	-67.2	-43.8	0	0	0	113.4	T369	D365-T369 WeakPolarHBondContact O-CB 3.45Å; D365-T369 PolarHBondContact O-N 2.66Å; D365-T369 PolarHBondContact O-OG1 3.24Å
366	T	83.3	Confident	86.1	Confident	45 Å²	45	43.9 Å²	43.9	28%	0.276	23%	0.231	S	C	.	.	H	α-helix	trans	-67.9	-41.5	172.3	54	0	0	0	0	110.8	T363 C364 T369 L370 I605	T363-T366 WeakPolarHBondContact CB-OG1 3.3Å; T363-T366 PolarHBondContact O-OG1 2.93Å; T363-T366 VanDerWaalsContact O-OG1 3.11Å; C364-T366 PolarHBondContact O-N 2.7Å; T366-T369 PolarHBondContact O-N 3.06Å; T366-L370 PolarHBondContact O-N 2.86Å; T366-I605 WeakPolarHBondContact O-CD1 3.29Å
367	S	86.2	Confident	86.7	Confident	3 Å²	3	39 Å²	39	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-64.7	-42.5	175.1	-63.4	0	0	0	0	112.4	W333 T363 C364 L370 T371	W333-S367 VanDerWaalsContact CH2-O 3.32Å; W333-S367 WeakPolarHBondContact CH2-O 3.3Å; T363-S367 WeakPolarHBondContact O-CB 3.39Å; T363-S367 PolarHBondContact O-N 2.7Å; T363-S367 PolarHBondContact O-OG 3.2Å; C364-S367 PolarHBondContact O-N 3.03Å; S367-L370 WeakPolarHBondContact O-CB 3.42Å; S367-L370 PolarHBondContact O-N 3.29Å; S367-T371 WeakPolarHBondContact O-CG2 3.39Å; S367-T371 PolarHBondContact O-N 3.31Å
368	K	88.2	Confident	87.1	Confident	44 Å²	44	37 Å²	37	19%	0.191	20%	0.2	C	C	.	.	H	α-helix	trans	-58.1	-48	170.9	-80.1	-172.1	168.6	-156.9	0	111	Q328 E329 C364 L370 T371	Q328-K368 HydrophobicContact CG-CB 4.27Å; E329-K368 WeakPolarHBondContact OE1-CE 3.49Å; E329-K368 IonicContact OE1-NZ 2.82Å; E329-K368 PolarHBondContact OE1-NZ 3.42Å; E329-K368 IonicContact OE2-NZ 2.69Å; E329-K368 PolarHBondContact OE2-NZ 3.21Å; C364-K368 WeakPolarHBondContact O-CB 3.4Å; C364-K368 WeakPolarHBondContact O-CG 3.49Å; C364-K368 PolarHBondContact O-N 3.29Å; K368-L370 VanDerWaalsContact C-N 3.29Å; K368-L370 PolarHBondContact O-N 3.32Å; K368-T371 WeakPolarHBondContact O-CB 3.41Å; K368-T371 PolarHBondContact O-N 3.02Å; K368-T371 VanDerWaalsContact O-N 3.17Å; K368-T371 PolarHBondContact O-OG1 3.27Å
369	T	87.2	Confident	87.4	Confident	59 Å²	59	36.3 Å²	36.3	36%	0.362	20%	0.2	S	C	.	.	H	α-helix	trans	-60	-38.8	176.9	-57.3	0	0	0	0	111.9	D365 T366 T371 I372 F373 I605	D365-T369 WeakPolarHBondContact O-CB 3.45Å; D365-T369 PolarHBondContact O-N 2.66Å; D365-T369 PolarHBondContact O-OG1 3.24Å; T366-T369 PolarHBondContact O-N 3.06Å; T369-T371 VanDerWaalsContact C-N 3.3Å; T369-T371 PolarHBondContact O-N 3.22Å; T369-I372 WeakPolarHBondContact O-CB 3.33Å; T369-I372 WeakPolarHBondContact O-CG1 3.3Å; T369-I372 PolarHBondContact O-N 3.05Å; T369-F373 HydrophobicContact CG2-CE2 4.08Å; T369-F373 WeakPolarHBondContact O-CD2 3.43Å; T369-I605 HydrophobicContact CG2-CD1 4.3Å
370	L	87.3	Confident	87.5	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-37.3	177.6	-172.2	78.2	0	0	0	112	W333 T366 S367 K368 I372 F373 D374 G601 L604 I605	W333-L370 HydrophobicContact CH2-CB 4.11Å; W333-L370 HydrophobicContact CH2-CD2 3.59Å; W333-L370 HydrophobicContact CH2-CG 4.3Å; W333-L370 HydrophobicContact CZ2-CD2 4.17Å; W333-L370 HydrophobicContact CZ3-CD2 4.37Å; T366-L370 PolarHBondContact O-N 2.86Å; S367-L370 WeakPolarHBondContact O-CB 3.42Å; S367-L370 PolarHBondContact O-N 3.29Å; K368-L370 VanDerWaalsContact C-N 3.29Å; K368-L370 PolarHBondContact O-N 3.32Å; L370-I372 PolarHBondContact O-N 2.99Å; L370-I372 VanDerWaalsContact O-N 3.09Å; L370-F373 PolarHBondContact O-N 3.26Å; L370-D374 HydrophobicContact CD1-CB 4.3Å; L370-D374 HydrophobicContact CD2-CB 4.42Å; L370-D374 HydrophobicContact CG-CB 3.95Å; L370-D374 PolarHBondContact O-N 2.99Å; L370-G601 WeakPolarHBondContact CD1-O 3.47Å; L370-G601 WeakPolarHBondContact CD2-O 3.44Å; L370-L604 HydrophobicContact CD1-CB 3.84Å; L370-L604 HydrophobicContact CD1-CD2 4.01Å; L370-L604 HydrophobicContact CD1-CG 4.47Å; L370-I605 HydrophobicContact CB-CD1 3.94Å; L370-I605 HydrophobicContact CD1-CD1 4.2Å; L370-I605 HydrophobicContact CD1-CG1 3.94Å
371	T	88.5	Confident	87.8	Confident	4 Å²	4	36.6 Å²	36.6	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-57.2	-27.5	-179.7	66.3	0	0	0	0	113.7	Q328 S331 W333 S367 K368 T369 F373 H375	Q328-T371 VanDerWaalsContact CA-OG1 3.29Å; Q328-T371 WeakPolarHBondContact CA-OG1 3.39Å; S331-T371 WeakPolarHBondContact OG-CG2 3.33Å; W333-T371 HydrophobicContact CH2-CG2 4.08Å; W333-T371 HydrophobicContact CZ2-CG2 3.35Å; S367-T371 WeakPolarHBondContact O-CG2 3.39Å; S367-T371 PolarHBondContact O-N 3.31Å; K368-T371 WeakPolarHBondContact O-CB 3.41Å; K368-T371 PolarHBondContact O-N 3.02Å; K368-T371 VanDerWaalsContact O-N 3.17Å; K368-T371 PolarHBondContact O-OG1 3.27Å; T369-T371 VanDerWaalsContact C-N 3.3Å; T369-T371 PolarHBondContact O-N 3.22Å; T371-F373 VanDerWaalsContact C-N 3.29Å; T371-F373 PolarHBondContact O-N 3.26Å; T371-H375 PolarHBondContact O-CD2 2.98Å; T371-H375 VanDerWaalsContact O-CD2 3.31Å
372	I	89.6	Confident	87.9	Confident	14 Å²	14	34.8 Å²	34.8	7%	0.072	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-25.6	178.9	-45.1	170.7	0	0	0	111.2	F321 Y325 Q328 T369 L370 H375	F321-I372 HydrophobicContact CD2-CG2 3.69Å; F321-I372 HydrophobicContact CE2-CG2 3.45Å; F321-I372 VanDerWaalsContact CE2-CG2 3.45Å; F321-I372 HydrophobicContact CG-CG2 4.49Å; F321-I372 HydrophobicContact CZ-CG2 4.07Å; Y325-I372 HydrophobicContact CD2-CD1 4.48Å; Q328-I372 VanDerWaalsContact OE1-CD1 3.26Å; T369-I372 WeakPolarHBondContact O-CB 3.33Å; T369-I372 WeakPolarHBondContact O-CG1 3.3Å; T369-I372 PolarHBondContact O-N 3.05Å; L370-I372 PolarHBondContact O-N 2.99Å; L370-I372 VanDerWaalsContact O-N 3.09Å; I372-H375 PolarHBondContact O-CD2 3.02Å
373	F	87.8	Confident	88.1	Confident	22 Å²	22	33.5 Å²	33.5	10%	0.096	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-30.5	-177.2	-59.6	-74.5	0	0	0	113.1	F321 T369 L370 T371 T378 L604 F688	F321-F373 HydrophobicContact CD2-CE1 4.28Å; F321-F373 HydrophobicContact CE2-CE1 4.11Å; F321-F373 HydrophobicContact CE2-CZ 4.05Å; T369-F373 HydrophobicContact CG2-CE2 4.08Å; T369-F373 WeakPolarHBondContact O-CD2 3.43Å; L370-F373 PolarHBondContact O-N 3.26Å; T371-F373 VanDerWaalsContact C-N 3.29Å; T371-F373 PolarHBondContact O-N 3.26Å; F373-T378 WeakPolarHBondContact O-CB 3.22Å; F373-T378 WeakPolarHBondContact O-CG2 3.46Å; F373-T378 PolarHBondContact O-OG1 2.94Å; F373-L604 HydrophobicContact CB-CD2 4.42Å; F373-F688 HydrophobicContact CD1-CD2 4.5Å; F373-F688 AromaticContact CE1-CD2 3.88Å; F373-F688 HydrophobicContact CE1-CD2 3.88Å; F373-F688 HydrophobicContact CE1-CE2 4.21Å
374	D	89	Confident	88.5	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.021	19%	0.192	C	C	.	.	S	Bend	trans	-108.8	67.1	-174.8	-156.9	39.8	0	0	0	112.6	L370 L604 S751 D752 R756	L370-D374 HydrophobicContact CD1-CB 4.3Å; L370-D374 HydrophobicContact CD2-CB 4.42Å; L370-D374 HydrophobicContact CG-CB 3.95Å; L370-D374 PolarHBondContact O-N 2.99Å; D374-L604 HydrophobicContact CB-CD2 3.91Å; D374-S751 WeakPolarHBondContact OD1-CB 3.3Å; D374-S751 PolarHBondContact OD1-OG 2.9Å; D374-S751 PolarHBondContact OD2-OG 2.97Å; D374-D752 PolarHBondContact OD2-N 3.48Å; D374-R756 PolarHBondContact O-NH1 3.14Å; D374-R756 VanDerWaalsContact O-NH1 3.16Å; D374-R756 PolarHBondContact O-NH2 3.39Å; D374-R756 IonicContact OD1-NH2 2.8Å; D374-R756 IonicContact OD2-CZ 3.21Å; D374-R756 IonicContact OD2-NH2 2.72Å; D374-R756 PolarHBondContact OD2-NH2 3.44Å
375	H	89.6	Confident	88.8	Confident	13 Å²	13	34.3 Å²	34.3	6%	0.06	19%	0.186	C	C	.	.	S	Bend	trans	-135.2	161.8	-179.5	64	46.8	0	0	0	112.2	C320 G324 T371 I372 G377 T378	C320-H375 PolarHBondContact O-NE2 3.26Å; G324-H375 WeakPolarHBondContact CA-CD2 3.3Å; T371-H375 PolarHBondContact O-CD2 2.98Å; T371-H375 VanDerWaalsContact O-CD2 3.31Å; I372-H375 PolarHBondContact O-CD2 3.02Å; H375-G377 WeakPolarHBondContact CE1-CA 3.17Å; H375-G377 PolarHBondContact CE1-N 2.91Å; H375-G377 VanDerWaalsContact ND1-CA 3.3Å; H375-G377 WeakPolarHBondContact ND1-CA 3.48Å; H375-G377 PolarHBondContact ND1-N 3.24Å; H375-G377 VanDerWaalsContact NE2-CA 3.25Å; H375-G377 WeakPolarHBondContact NE2-CA 3.46Å; H375-G377 PolarHBondContact O-N 3.24Å; H375-T378 PolarHBondContact CE1-N 2.81Å; H375-T378 PolarHBondContact ND1-N 2.88Å; H375-T378 VanDerWaalsContact ND1-N 3.19Å; H375-T378 WeakPolarHBondContact NE2-CG2 3.39Å; H375-T378 PolarHBondContact NE2-N 3.3Å; H375-T378 PolarHBondContact O-N 2.86Å; H375-T378 PolarHBondContact O-OG1 2.91Å
376	F	88.5	Confident	89	Confident	113 Å²	113	29.6 Å²	29.6	50%	0.496	16%	0.164	S	C	.	.	H	α-helix	trans	-55.6	-24.9	-178	-64	-69.4	0	0	0	115	T378 L379 V380 I753 L757	F376-T378 VanDerWaalsContact C-N 3.35Å; F376-T378 PolarHBondContact O-N 3.22Å; F376-L379 HydrophobicContact CD1-CD2 4.48Å; F376-L379 WeakPolarHBondContact O-CB 3.37Å; F376-L379 PolarHBondContact O-N 3.11Å; F376-V380 WeakPolarHBondContact O-CG2 3.47Å; F376-V380 PolarHBondContact O-N 3.3Å; F376-V380 VanDerWaalsContact O-N 3.16Å; F376-I753 HydrophobicContact CD1-CG2 4.37Å; F376-I753 HydrophobicContact CE1-CG2 4.07Å; F376-L757 HydrophobicContact CE1-CD1 4.4Å; F376-L757 HydrophobicContact CZ-CD1 4.48Å
377	G	89.3	Confident	89.4	Confident	11 Å²	11	29.9 Å²	29.9	11%	0.113	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-29.1	171.1	0	0	0	0	0	115.4	H375 F381	H375-G377 WeakPolarHBondContact CE1-CA 3.17Å; H375-G377 PolarHBondContact CE1-N 2.91Å; H375-G377 VanDerWaalsContact ND1-CA 3.3Å; H375-G377 WeakPolarHBondContact ND1-CA 3.48Å; H375-G377 PolarHBondContact ND1-N 3.24Å; H375-G377 VanDerWaalsContact NE2-CA 3.25Å; H375-G377 WeakPolarHBondContact NE2-CA 3.46Å; H375-G377 PolarHBondContact O-N 3.24Å; G377-F381 WeakPolarHBondContact O-CB 3.31Å; G377-F381 PolarHBondContact O-N 3.11Å
378	T	89.3	Confident	89.8	Confident	1 Å²	1	30 Å²	30	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-82.2	-29	179.1	57.1	0	0	0	0	111.9	F373 H375 F376 F381 A382 P689	F373-T378 WeakPolarHBondContact O-CB 3.22Å; F373-T378 WeakPolarHBondContact O-CG2 3.46Å; F373-T378 PolarHBondContact O-OG1 2.94Å; H375-T378 PolarHBondContact CE1-N 2.81Å; H375-T378 PolarHBondContact ND1-N 2.88Å; H375-T378 VanDerWaalsContact ND1-N 3.19Å; H375-T378 WeakPolarHBondContact NE2-CG2 3.39Å; H375-T378 PolarHBondContact NE2-N 3.3Å; H375-T378 PolarHBondContact O-N 2.86Å; H375-T378 PolarHBondContact O-OG1 2.91Å; F376-T378 VanDerWaalsContact C-N 3.35Å; F376-T378 PolarHBondContact O-N 3.22Å; T378-F381 PolarHBondContact O-N 2.97Å; T378-A382 WeakPolarHBondContact O-CB 3.47Å; T378-A382 PolarHBondContact O-N 2.99Å; T378-P689 HydrophobicContact CG2-CG 3.39Å
379	L	88.6	Confident	90	Very high	40 Å²	40	28.2 Å²	28.2	21%	0.209	16%	0.158	C	C	.	.	H	α-helix	trans	-57.2	-52	163.1	169.8	70.3	0	0	0	111.1	F376 F381 A382 V383 I747 I753 F839	F376-L379 HydrophobicContact CD1-CD2 4.48Å; F376-L379 WeakPolarHBondContact O-CB 3.37Å; F376-L379 PolarHBondContact O-N 3.11Å; L379-F381 VanDerWaalsContact C-N 3.29Å; L379-F381 PolarHBondContact O-N 3.04Å; L379-A382 PolarHBondContact O-N 2.86Å; L379-V383 PolarHBondContact O-N 2.99Å; L379-I747 HydrophobicContact CD1-CD1 4.16Å; L379-I747 HydrophobicContact CD1-CG2 4.32Å; L379-I753 HydrophobicContact CB-CD1 4.45Å; L379-F839 HydrophobicContact CD1-CE2 3.67Å; L379-F839 HydrophobicContact CD1-CZ 3.56Å
380	V	90.1	Very high	90.1	Very high	98 Å²	98	26 Å²	26	59%	0.594	15%	0.145	S	C	*	.	H	α-helix	trans	-61.3	-40.1	176.8	174.2	0	0	0	0	110.9	F376 V383 F384	F376-V380 WeakPolarHBondContact O-CG2 3.47Å; F376-V380 PolarHBondContact O-N 3.3Å; F376-V380 VanDerWaalsContact O-N 3.16Å; V380-V383 PolarHBondContact O-N 3.31Å; V380-F384 WeakPolarHBondContact O-CB 3.43Å; V380-F384 PolarHBondContact O-N 3.05Å
381	F	92.2	Very high	90.4	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-39.4	177.5	-167.9	-126.6	0	0	0	113.1	V316 G317 G377 T378 L379 V383 F384 M385 V685 P689 P692	V316-F381 HydrophobicContact CB-CD2 4.34Å; V316-F381 HydrophobicContact CB-CE2 3.93Å; V316-F381 HydrophobicContact CG1-CD2 3.73Å; V316-F381 HydrophobicContact CG1-CE2 3.85Å; G317-F381 VanDerWaalsContact N-CE2 3.35Å; G377-F381 WeakPolarHBondContact O-CB 3.31Å; G377-F381 PolarHBondContact O-N 3.11Å; T378-F381 PolarHBondContact O-N 2.97Å; L379-F381 VanDerWaalsContact C-N 3.29Å; L379-F381 PolarHBondContact O-N 3.04Å; F381-V383 PolarHBondContact O-N 3.29Å; F381-F384 AromaticContact CD2-CD1 3.73Å; F381-F384 HydrophobicContact CD2-CD1 3.73Å; F381-F384 HydrophobicContact CD2-CE1 4.38Å; F381-F384 AromaticContact CE2-CD1 3.62Å; F381-F384 HydrophobicContact CE2-CD1 3.62Å; F381-F384 AromaticContact CE2-CE1 3.85Å; F381-F384 HydrophobicContact CE2-CE1 3.85Å; F381-F384 PolarHBondContact O-N 3.2Å; F381-M385 HydrophobicContact CD1-CG 4.24Å; F381-M385 HydrophobicContact CD2-CG 4.25Å; F381-M385 HydrophobicContact CE1-CG 3.93Å; F381-M385 HydrophobicContact CE1-SD 4.41Å; F381-M385 HydrophobicContact CE2-CG 3.93Å; F381-M385 HydrophobicContact CE2-SD 4.07Å; F381-M385 HydrophobicContact CG-CG 4.39Å; F381-M385 HydrophobicContact CZ-CG 3.76Å; F381-M385 HydrophobicContact CZ-SD 3.79Å; F381-M385 WeakPolarHBondContact O-CB 3.3Å; F381-M385 VanDerWaalsContact O-CG 3.28Å; F381-M385 WeakPolarHBondContact O-CG 3.27Å; F381-M385 PolarHBondContact O-N 3.38Å; F381-V685 HydrophobicContact CD1-CG2 4.01Å; F381-V685 HydrophobicContact CE1-CG2 3.51Å; F381-V685 HydrophobicContact CZ-CG2 4.39Å; F381-P689 HydrophobicContact CD1-CB 3.89Å; F381-P689 HydrophobicContact CD1-CG 4.45Å; F381-P689 HydrophobicContact CE1-CB 4Å; F381-P692 HydrophobicContact CE1-CG 4.43Å; F381-P692 HydrophobicContact CZ-CG 4.08Å
382	A	90.7	Very high	90.6	Very high	8 Å²	8	27 Å²	27	7%	0.066	15%	0.151	C	C	.	.	H	α-helix	trans	-63.3	-40.3	176.4	0	0	0	0	0	112.2	T378 L379 M385 A386 A686 N743 I747	T378-A382 WeakPolarHBondContact O-CB 3.47Å; T378-A382 PolarHBondContact O-N 2.99Å; L379-A382 PolarHBondContact O-N 2.86Å; A382-M385 PolarHBondContact O-N 2.77Å; A382-A386 PolarHBondContact O-N 2.91Å; A382-A686 HydrophobicContact CB-CB 4.04Å; A382-N743 HydrophobicContact CB-CB 4.41Å; A382-I747 HydrophobicContact CB-CD1 3.8Å
383	V	88.9	Confident	90.8	Very high	64 Å²	64	26.6 Å²	26.6	39%	0.388	15%	0.149	S	C	.	.	H	α-helix	trans	-67	-44.5	174.2	178.3	0	0	0	0	111.1	L379 V380 F381 M385 A386 V387	L379-V383 PolarHBondContact O-N 2.99Å; V380-V383 PolarHBondContact O-N 3.31Å; F381-V383 PolarHBondContact O-N 3.29Å; V383-M385 VanDerWaalsContact C-N 3.29Å; V383-M385 PolarHBondContact O-N 2.99Å; V383-A386 PolarHBondContact O-N 2.98Å; V383-V387 PolarHBondContact O-N 2.81Å; V383-V387 VanDerWaalsContact O-N 3.13Å
384	F	92.2	Very high	90.9	Very high	47 Å²	47	26.3 Å²	26.3	21%	0.206	15%	0.148	C	C	.	.	H	α-helix	trans	-57.1	-42.2	172.7	164.4	-91.5	0	0	0	111.9	F312 A313 V316 V380 F381 V387 W388	F312-F384 HydrophobicContact CD1-CE2 4.43Å; F312-F384 AromaticContact CD1-CZ 3.97Å; F312-F384 HydrophobicContact CD1-CZ 3.97Å; F312-F384 AromaticContact CE1-CE2 3.62Å; F312-F384 HydrophobicContact CE1-CE2 3.62Å; F312-F384 AromaticContact CE1-CZ 3.6Å; F312-F384 HydrophobicContact CE1-CZ 3.6Å; F312-F384 HydrophobicContact CZ-CE2 4.02Å; F312-F384 HydrophobicContact CZ-CZ 4.25Å; A313-F384 HydrophobicContact CB-CE1 4.47Å; V316-F384 HydrophobicContact CB-CD1 4.32Å; V316-F384 HydrophobicContact CB-CE1 3.87Å; V316-F384 HydrophobicContact CB-CZ 4Å; V316-F384 HydrophobicContact CG1-CD1 4.02Å; V316-F384 HydrophobicContact CG1-CE1 4.07Å; V316-F384 HydrophobicContact CG1-CG 4.26Å; V316-F384 HydrophobicContact CG1-CZ 4.34Å; V316-F384 HydrophobicContact CG2-CE1 4.04Å; V316-F384 HydrophobicContact CG2-CE2 3.97Å; V316-F384 HydrophobicContact CG2-CZ 3.62Å; V380-F384 WeakPolarHBondContact O-CB 3.43Å; V380-F384 PolarHBondContact O-N 3.05Å; F381-F384 AromaticContact CD2-CD1 3.73Å; F381-F384 HydrophobicContact CD2-CD1 3.73Å; F381-F384 HydrophobicContact CD2-CE1 4.38Å; F381-F384 AromaticContact CE2-CD1 3.62Å; F381-F384 HydrophobicContact CE2-CD1 3.62Å; F381-F384 AromaticContact CE2-CE1 3.85Å; F381-F384 HydrophobicContact CE2-CE1 3.85Å; F381-F384 PolarHBondContact O-N 3.2Å; F384-V387 WeakPolarHBondContact O-CB 3.19Å; F384-V387 PolarHBondContact O-N 3.32Å; F384-W388 HydrophobicContact CE1-CB 4.32Å; F384-W388 HydrophobicContact CZ-CB 4.42Å; F384-W388 WeakPolarHBondContact O-CB 3.48Å; F384-W388 PolarHBondContact O-N 3.31Å
385	M	93.3	Very high	91.1	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.015	16%	0.163	C	C	.	.	H	α-helix	trans	-69.2	-37.1	179.6	-76.1	-64.1	-61	0	0	112.5	A313 F381 A382 V383 V387 W388 V389 V681 V685 P692	A313-M385 HydrophobicContact CB-CE 4.49Å; A313-M385 HydrophobicContact CB-SD 3.86Å; F381-M385 HydrophobicContact CD1-CG 4.24Å; F381-M385 HydrophobicContact CD2-CG 4.25Å; F381-M385 HydrophobicContact CE1-CG 3.93Å; F381-M385 HydrophobicContact CE1-SD 4.41Å; F381-M385 HydrophobicContact CE2-CG 3.93Å; F381-M385 HydrophobicContact CE2-SD 4.07Å; F381-M385 HydrophobicContact CG-CG 4.39Å; F381-M385 HydrophobicContact CZ-CG 3.76Å; F381-M385 HydrophobicContact CZ-SD 3.79Å; F381-M385 WeakPolarHBondContact O-CB 3.3Å; F381-M385 VanDerWaalsContact O-CG 3.28Å; F381-M385 WeakPolarHBondContact O-CG 3.27Å; F381-M385 PolarHBondContact O-N 3.38Å; A382-M385 PolarHBondContact O-N 2.77Å; V383-M385 VanDerWaalsContact C-N 3.29Å; V383-M385 PolarHBondContact O-N 2.99Å; M385-V387 VanDerWaalsContact C-N 3.31Å; M385-V387 PolarHBondContact O-N 3.49Å; M385-W388 HydrophobicContact CE-CD2 4.32Å; M385-W388 HydrophobicContact CE-CE3 3.6Å; M385-W388 HydrophobicContact CE-CZ3 3.91Å; M385-W388 PolarHBondContact O-N 3.4Å; M385-W388 HydrophobicContact SD-CD2 4.44Å; M385-W388 HydrophobicContact SD-CE3 4.24Å; M385-V389 WeakPolarHBondContact O-CB 3.47Å; M385-V389 VanDerWaalsContact O-CG2 3.31Å; M385-V389 WeakPolarHBondContact O-CG2 3.46Å; M385-V389 PolarHBondContact O-N 2.97Å; M385-V681 HydrophobicContact CE-CG1 4.07Å; M385-V685 HydrophobicContact CB-CG1 3.78Å; M385-V685 HydrophobicContact CE-CG2 4.29Å; M385-V685 HydrophobicContact CG-CG1 3.92Å; M385-V685 HydrophobicContact CG-CG2 3.9Å; M385-P692 HydrophobicContact CE-CG 4.26Å; M385-P692 HydrophobicContact SD-CG 4.39Å
386	A	89.9	Confident	91.3	Very high	24 Å²	24	29.3 Å²	29.3	20%	0.198	16%	0.16	C	C	.	.	H	α-helix	trans	-59.2	-43.5	171.5	0	0	0	0	0	111.5	A382 V383 T390 V740 A847	A382-A386 PolarHBondContact O-N 2.91Å; V383-A386 PolarHBondContact O-N 2.98Å; A386-T390 PolarHBondContact O-N 2.94Å; A386-V740 HydrophobicContact CB-CG2 4.27Å; A386-A847 HydrophobicContact CB-CB 4.41Å
387	V	90.4	Very high	91.4	Very high	51 Å²	51	26.2 Å²	26.2	31%	0.309	15%	0.147	S	C	.	.	H	α-helix	trans	-63.7	-51.3	173.1	172.2	0	0	0	0	111.2	V383 F384 M385 V389 T390 V391 T850 L854	V383-V387 PolarHBondContact O-N 2.81Å; V383-V387 VanDerWaalsContact O-N 3.13Å; F384-V387 WeakPolarHBondContact O-CB 3.19Å; F384-V387 PolarHBondContact O-N 3.32Å; M385-V387 VanDerWaalsContact C-N 3.31Å; M385-V387 PolarHBondContact O-N 3.49Å; V387-V389 VanDerWaalsContact C-N 3.3Å; V387-V389 PolarHBondContact O-N 2.71Å; V387-T390 PolarHBondContact O-N 2.73Å; V387-T390 PolarHBondContact O-OG1 3.34Å; V387-V391 HydrophobicContact CG1-CG2 4.28Å; V387-V391 PolarHBondContact O-N 3.41Å; V387-T850 HydrophobicContact CG2-CG2 3.81Å; V387-L854 HydrophobicContact CG1-CD1 3.99Å
388	W	94.3	Very high	91.5	Very high	6 Å²	6	30.2 Å²	30.2	2%	0.023	16%	0.158	C	C	.	.	H	α-helix	trans	-55.4	-41.8	-179.6	173.9	87.9	0	0	0	112.5	Y306 M309 L310 F312 A313 F384 M385 T390 V391 F392 F678	Y306-W388 HydrophobicContact CE2-CH2 4.34Å; M309-W388 HydrophobicContact CB-CZ2 3.84Å; M309-W388 PolarHBondContact O-NE1 3.23Å; L310-W388 HydrophobicContact CD2-CH2 4.06Å; L310-W388 HydrophobicContact CD2-CZ2 4.29Å; F312-W388 AromaticContact CD1-CD1 3.94Å; A313-W388 HydrophobicContact CB-CD2 4.13Å; A313-W388 HydrophobicContact CB-CG 4.36Å; A313-W388 HydrophobicContact CB-CZ2 4.29Å; F384-W388 HydrophobicContact CE1-CB 4.32Å; F384-W388 HydrophobicContact CZ-CB 4.42Å; F384-W388 WeakPolarHBondContact O-CB 3.48Å; F384-W388 PolarHBondContact O-N 3.31Å; M385-W388 HydrophobicContact CE-CD2 4.32Å; M385-W388 HydrophobicContact CE-CE3 3.6Å; M385-W388 HydrophobicContact CE-CZ3 3.91Å; M385-W388 PolarHBondContact O-N 3.4Å; M385-W388 HydrophobicContact SD-CD2 4.44Å; M385-W388 HydrophobicContact SD-CE3 4.24Å; W388-T390 VanDerWaalsContact C-N 3.33Å; W388-T390 PolarHBondContact O-N 2.9Å; W388-V391 PolarHBondContact O-N 2.66Å; W388-F392 HydrophobicContact CH2-CG 4.46Å; W388-F392 HydrophobicContact CZ2-CB 4.46Å; W388-F392 VanDerWaalsContact O-CB 3.27Å; W388-F392 WeakPolarHBondContact O-CB 3.13Å; W388-F392 PolarHBondContact O-N 3.09Å; W388-F678 HydrophobicContact CZ3-CE2 4.3Å
389	V	93.4	Very high	91.5	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.036	17%	0.167	C	C	.	.	H	α-helix	trans	-60.3	-42.3	176.7	166	0	0	0	0	111.5	M385 V387 F392 L393 F678 T682 A736	M385-V389 WeakPolarHBondContact O-CB 3.47Å; M385-V389 VanDerWaalsContact O-CG2 3.31Å; M385-V389 WeakPolarHBondContact O-CG2 3.46Å; M385-V389 PolarHBondContact O-N 2.97Å; V387-V389 VanDerWaalsContact C-N 3.3Å; V387-V389 PolarHBondContact O-N 2.71Å; V389-F392 PolarHBondContact O-N 3.34Å; V389-L393 HydrophobicContact CG1-CD1 4.2Å; V389-L393 WeakPolarHBondContact O-CG 3.32Å; V389-L393 PolarHBondContact O-N 3.38Å; V389-F678 HydrophobicContact CG1-CZ 4.12Å; V389-F678 HydrophobicContact CG2-CZ 4.43Å; V389-T682 HydrophobicContact CG2-CG2 3.38Å; V389-A736 HydrophobicContact CG1-CB 3.27Å
390	T	90.3	Very high	91.6	Very high	14 Å²	14	31.3 Å²	31.3	9%	0.086	16%	0.161	C	C	.	.	H	α-helix	trans	-67.5	-45.9	177.9	63.1	0	0	0	0	111.3	A386 V387 W388 F392 L393 E394 K851 L854	A386-T390 PolarHBondContact O-N 2.94Å; V387-T390 PolarHBondContact O-N 2.73Å; V387-T390 PolarHBondContact O-OG1 3.34Å; W388-T390 VanDerWaalsContact C-N 3.33Å; W388-T390 PolarHBondContact O-N 2.9Å; T390-F392 VanDerWaalsContact C-N 3.31Å; T390-F392 PolarHBondContact O-N 3.27Å; T390-L393 PolarHBondContact O-N 2.88Å; T390-L393 VanDerWaalsContact O-N 3.17Å; T390-E394 WeakPolarHBondContact O-CG 3.35Å; T390-E394 PolarHBondContact O-N 2.9Å; T390-K851 HydrophobicContact CG2-CB 3.76Å; T390-K851 HydrophobicContact CG2-CD 4.01Å; T390-K851 HydrophobicContact CG2-CG 3.62Å; T390-L854 WeakPolarHBondContact OG1-CD1 3.49Å
391	V	91.8	Very high	91.5	Very high	28 Å²	28	27.8 Å²	27.8	17%	0.17	14%	0.141	C	C	.	.	H	α-helix	trans	-61.1	-38.9	176.3	178.2	0	0	0	0	111.6	M309 V387 W388 F395 L854	M309-V391 HydrophobicContact CE-CG1 4.08Å; V387-V391 HydrophobicContact CG1-CG2 4.28Å; V387-V391 PolarHBondContact O-N 3.41Å; W388-V391 PolarHBondContact O-N 2.66Å; V391-F395 HydrophobicContact CG1-CD2 3.55Å; V391-F395 HydrophobicContact CG1-CE2 3.4Å; V391-F395 VanDerWaalsContact CG1-CE2 3.4Å; V391-F395 HydrophobicContact CG1-CG 4.27Å; V391-F395 HydrophobicContact CG1-CZ 4.01Å; V391-F395 VanDerWaalsContact O-CB 3.25Å; V391-F395 WeakPolarHBondContact O-CB 3.5Å; V391-F395 WeakPolarHBondContact O-CG 3.45Å; V391-F395 PolarHBondContact O-N 2.79Å; V391-L854 HydrophobicContact CG2-CD1 4.12Å; V391-L854 HydrophobicContact CG2-CD2 4.46Å
392	F	94.1	Very high	91.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.9	-47.1	173.2	163.2	-106.4	0	0	0	112.2	F305 Y306 M309 W388 V389 T390 W396 F678	F305-F392 HydrophobicContact CD1-CD2 4.06Å; F305-F392 AromaticContact CD1-CE2 3.78Å; F305-F392 HydrophobicContact CD1-CE2 3.78Å; F305-F392 AromaticContact CE1-CD2 3.59Å; F305-F392 HydrophobicContact CE1-CD2 3.59Å; F305-F392 AromaticContact CE1-CE2 3.77Å; F305-F392 HydrophobicContact CE1-CE2 3.77Å; F305-F392 WeakPolarHBondContact CE1-O 3.45Å; Y306-F392 AromaticContact CD2-CE2 3.95Å; Y306-F392 HydrophobicContact CD2-CE2 3.95Å; Y306-F392 AromaticContact CD2-CZ 3.98Å; Y306-F392 HydrophobicContact CD2-CZ 3.98Å; Y306-F392 HydrophobicContact CG-CE2 4.33Å; Y306-F392 HydrophobicContact CG-CZ 4.35Å; M309-F392 HydrophobicContact CB-CD2 3.97Å; M309-F392 HydrophobicContact CE-CB 4.29Å; M309-F392 HydrophobicContact CG-CD2 4.07Å; W388-F392 HydrophobicContact CH2-CG 4.46Å; W388-F392 HydrophobicContact CZ2-CB 4.46Å; W388-F392 VanDerWaalsContact O-CB 3.27Å; W388-F392 WeakPolarHBondContact O-CB 3.13Å; W388-F392 PolarHBondContact O-N 3.09Å; V389-F392 PolarHBondContact O-N 3.34Å; T390-F392 VanDerWaalsContact C-N 3.31Å; T390-F392 PolarHBondContact O-N 3.27Å; F392-W396 VanDerWaalsContact O-CB 3.3Å; F392-W396 WeakPolarHBondContact O-CB 3.24Å; F392-W396 PolarHBondContact O-N 3.16Å; F392-F678 AromaticContact CD1-CE2 3.67Å; F392-F678 HydrophobicContact CD1-CE2 3.67Å; F392-F678 HydrophobicContact CD1-CZ 4.15Å; F392-F678 HydrophobicContact CE1-CD2 4.11Å; F392-F678 AromaticContact CE1-CE2 3.46Å; F392-F678 HydrophobicContact CE1-CE2 3.46Å; F392-F678 VanDerWaalsContact CE1-CE2 3.46Å; F392-F678 HydrophobicContact CE1-CZ 4.03Å; F392-F678 HydrophobicContact CZ-CE2 4.42Å
393	L	92.6	Very high	91.2	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-69	-44	-178.6	-70.6	171.6	0	0	0	112.6	V389 T390 W396 K397 L732 Q733 A736	V389-L393 HydrophobicContact CG1-CD1 4.2Å; V389-L393 WeakPolarHBondContact O-CG 3.32Å; V389-L393 PolarHBondContact O-N 3.38Å; T390-L393 PolarHBondContact O-N 2.88Å; T390-L393 VanDerWaalsContact O-N 3.17Å; L393-W396 PolarHBondContact O-N 3.47Å; L393-K397 WeakPolarHBondContact O-CG 3.33Å; L393-K397 PolarHBondContact O-N 2.83Å; L393-L732 HydrophobicContact CD2-CB 3.91Å; L393-Q733 HydrophobicContact CD1-CG 4.14Å; L393-A736 HydrophobicContact CD1-CB 3.62Å
394	E	90.9	Very high	91	Very high	16 Å²	16	29.2 Å²	29.2	8%	0.075	14%	0.142	C	C	.	.	H	α-helix	trans	-70.2	-40.1	-179.6	-59.2	-49.7	141.7	0	0	112	T390 K397 R398 I858	T390-E394 WeakPolarHBondContact O-CG 3.35Å; T390-E394 PolarHBondContact O-N 2.9Å; E394-K397 PolarHBondContact O-N 3.26Å; E394-K397 IonicContact OE1-NZ 3.54Å; E394-K397 PolarHBondContact OE1-NZ 3.5Å; E394-K397 WeakPolarHBondContact OE2-CD 3.34Å; E394-K397 WeakPolarHBondContact OE2-CE 3.29Å; E394-K397 IonicContact OE2-NZ 2.73Å; E394-K397 PolarHBondContact OE2-NZ 3.4Å; E394-R398 PolarHBondContact O-N 2.62Å; E394-R398 VanDerWaalsContact O-N 3.13Å; E394-I858 HydrophobicContact CB-CB 4.31Å; E394-I858 HydrophobicContact CB-CD1 4.25Å; E394-I858 HydrophobicContact CB-CG2 4Å
395	F	92.3	Very high	90.6	Very high	79 Å²	79	28.9 Å²	28.9	35%	0.346	14%	0.14	S	C	.	.	H	α-helix	trans	-70.7	-28.2	171.5	-70.3	-13.4	0	0	0	113	F305 M309 V391 Y399 I858	F305-F395 HydrophobicContact CE2-CB 4.29Å; F305-F395 HydrophobicContact CZ-CB 3.66Å; M309-F395 HydrophobicContact CE-CD2 4.13Å; V391-F395 HydrophobicContact CG1-CD2 3.55Å; V391-F395 HydrophobicContact CG1-CE2 3.4Å; V391-F395 VanDerWaalsContact CG1-CE2 3.4Å; V391-F395 HydrophobicContact CG1-CG 4.27Å; V391-F395 HydrophobicContact CG1-CZ 4.01Å; V391-F395 VanDerWaalsContact O-CB 3.25Å; V391-F395 WeakPolarHBondContact O-CB 3.5Å; V391-F395 WeakPolarHBondContact O-CG 3.45Å; V391-F395 PolarHBondContact O-N 2.79Å; F395-Y399 WeakPolarHBondContact O-CB 3.29Å; F395-Y399 PolarHBondContact O-N 3.36Å; F395-I858 HydrophobicContact CD1-CD1 4.25Å; F395-I858 HydrophobicContact CD1-CG2 3.88Å; F395-I858 HydrophobicContact CE1-CD1 3.75Å; F395-I858 HydrophobicContact CE1-CG1 4.12Å; F395-I858 HydrophobicContact CE1-CG2 3.86Å; F395-I858 HydrophobicContact CZ-CD1 4.3Å
396	W	93.8	Very high	90.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-49.9	169.8	172.4	-109.3	0	0	0	111	I298 A301 W302 F305 F392 L393 R398 Y399 Q400 I725	I298-W396 HydrophobicContact CD1-CH2 3.77Å; I298-W396 HydrophobicContact CD1-CZ2 3.95Å; I298-W396 HydrophobicContact CG1-CH2 4.3Å; I298-W396 HydrophobicContact CG1-CZ2 4.21Å; A301-W396 HydrophobicContact CB-CH2 4.49Å; W302-W396 VanDerWaalsContact CA-CZ3 3.41Å; W302-W396 HydrophobicContact CB-CE3 4.48Å; W302-W396 HydrophobicContact CB-CH2 3.6Å; W302-W396 HydrophobicContact CB-CZ2 3.9Å; W302-W396 HydrophobicContact CB-CZ3 3.92Å; W302-W396 AromaticContact CD1-CD2 3.63Å; W302-W396 AromaticContact CD1-CE2 3.58Å; W302-W396 AromaticContact CD1-CE3 3.96Å; W302-W396 AromaticContact CD1-CZ2 3.9Å; W302-W396 AromaticContact CD1-NE1 3.97Å; W302-W396 HydrophobicContact CG-CH2 4.35Å; W302-W396 HydrophobicContact CG-CZ2 4.31Å; W302-W396 HydrophobicContact CG-CZ3 4.5Å; F305-W396 HydrophobicContact CB-CE3 3.97Å; F305-W396 HydrophobicContact CB-CZ3 4.06Å; F305-W396 HydrophobicContact CD1-CB 4.1Å; F305-W396 HydrophobicContact CD1-CD2 4.46Å; F305-W396 AromaticContact CD1-CE3 3.71Å; F305-W396 HydrophobicContact CD1-CE3 3.71Å; F305-W396 HydrophobicContact CE1-CB 3.75Å; F305-W396 HydrophobicContact CE1-CE3 4.43Å; F305-W396 AromaticContact CG-CE3 3.86Å; F305-W396 HydrophobicContact CG-CE3 3.86Å; F305-W396 HydrophobicContact CG-CZ3 4.39Å; F392-W396 VanDerWaalsContact O-CB 3.3Å; F392-W396 WeakPolarHBondContact O-CB 3.24Å; F392-W396 PolarHBondContact O-N 3.16Å; L393-W396 PolarHBondContact O-N 3.47Å; W396-R398 VanDerWaalsContact C-N 3.27Å; W396-R398 PolarHBondContact O-N 2.97Å; W396-Y399 HydrophobicContact CE3-CD1 4Å; W396-Y399 AromaticContact CZ3-CD1 3.62Å; W396-Y399 HydrophobicContact CZ3-CD1 3.62Å; W396-Y399 HydrophobicContact CZ3-CE1 4.14Å; W396-Y399 PolarHBondContact O-N 2.96Å; W396-Y399 VanDerWaalsContact O-N 3.14Å; W396-Q400 HydrophobicContact CZ2-CB 3.89Å; W396-Q400 HydrophobicContact CZ2-CG 3.9Å; W396-Q400 WeakPolarHBondContact O-CB 3.47Å; W396-Q400 PolarHBondContact O-N 3.38Å; W396-I725 HydrophobicContact CZ2-CG2 3.94Å
397	K	90.9	Very high	89.8	Confident	48 Å²	48	30.6 Å²	30.6	21%	0.209	14%	0.144	C	C	.	.	H	α-helix	trans	-51.7	-49.2	175.8	-66.4	-179.5	-169.2	166.8	0	111.2	L393 E394 Y399 Q400 S401 D860	L393-K397 WeakPolarHBondContact O-CG 3.33Å; L393-K397 PolarHBondContact O-N 2.83Å; E394-K397 PolarHBondContact O-N 3.26Å; E394-K397 IonicContact OE1-NZ 3.54Å; E394-K397 PolarHBondContact OE1-NZ 3.5Å; E394-K397 WeakPolarHBondContact OE2-CD 3.34Å; E394-K397 WeakPolarHBondContact OE2-CE 3.29Å; E394-K397 IonicContact OE2-NZ 2.73Å; E394-K397 PolarHBondContact OE2-NZ 3.4Å; K397-Y399 VanDerWaalsContact C-N 3.33Å; K397-Y399 PolarHBondContact O-N 3.46Å; K397-Q400 WeakPolarHBondContact O-CB 3.49Å; K397-Q400 PolarHBondContact O-N 3.36Å; K397-S401 PolarHBondContact O-N 2.99Å; K397-D860 WeakPolarHBondContact CD-OD1 3.43Å; K397-D860 WeakPolarHBondContact CE-OD1 3.39Å; K397-D860 IonicContact NZ-OD1 3.13Å; K397-D860 PolarHBondContact NZ-OD1 3.18Å
398	R	90.6	Very high	89.4	Confident	95 Å²	95	30.2 Å²	30.2	36%	0.358	14%	0.14	S	C	.	.	H	α-helix	trans	-63.3	-36.5	-178.5	-176.2	178	169.4	-164.7	-2	113.3	E394 W396 Q402 D860 S862	E394-R398 PolarHBondContact O-N 2.62Å; E394-R398 VanDerWaalsContact O-N 3.13Å; W396-R398 VanDerWaalsContact C-N 3.27Å; W396-R398 PolarHBondContact O-N 2.97Å; R398-Q402 PolarHBondContact O-N 2.75Å; R398-D860 WeakPolarHBondContact CA-O 3.46Å; R398-S862 PolarHBondContact NH2-OG 2.86Å
399	Y	90.6	Very high	88.8	Confident	47 Å²	47	30.1 Å²	30.1	18%	0.184	14%	0.14	C	C	.	.	H	α-helix	trans	-75.1	-37.4	174.4	-175.7	-132.9	0	0	0	111.8	L285 A301 F305 F395 W396 K397 Q402 L403	L285-Y399 VanDerWaalsContact CD1-OH 3.31Å; L285-Y399 WeakPolarHBondContact CD1-OH 3.36Å; A301-Y399 HydrophobicContact CB-CE1 4.39Å; F305-Y399 HydrophobicContact CB-CD1 4.08Å; F305-Y399 HydrophobicContact CB-CE1 4.22Å; F305-Y399 AromaticContact CD2-CD1 3.79Å; F305-Y399 HydrophobicContact CD2-CD1 3.79Å; F305-Y399 HydrophobicContact CD2-CE1 4.43Å; F305-Y399 HydrophobicContact CD2-CG 4.39Å; F305-Y399 HydrophobicContact CG-CD1 4.1Å; F395-Y399 WeakPolarHBondContact O-CB 3.29Å; F395-Y399 PolarHBondContact O-N 3.36Å; W396-Y399 HydrophobicContact CE3-CD1 4Å; W396-Y399 AromaticContact CZ3-CD1 3.62Å; W396-Y399 HydrophobicContact CZ3-CD1 3.62Å; W396-Y399 HydrophobicContact CZ3-CE1 4.14Å; W396-Y399 PolarHBondContact O-N 2.96Å; W396-Y399 VanDerWaalsContact O-N 3.14Å; K397-Y399 VanDerWaalsContact C-N 3.33Å; K397-Y399 PolarHBondContact O-N 3.46Å; Y399-Q402 WeakPolarHBondContact O-CB 3.49Å; Y399-Q402 PolarHBondContact O-N 3.2Å; Y399-L403 HydrophobicContact CD1-CD1 4.28Å; Y399-L403 HydrophobicContact CD2-CG 4.41Å; Y399-L403 HydrophobicContact CE1-CD1 3.91Å; Y399-L403 HydrophobicContact CE2-CD1 4.24Å; Y399-L403 HydrophobicContact CE2-CD2 4.02Å; Y399-L403 HydrophobicContact CE2-CG 4.08Å; Y399-L403 WeakPolarHBondContact O-CG 3.18Å; Y399-L403 PolarHBondContact O-N 2.91Å
400	Q	91.1	Very high	87.5	Confident	17 Å²	17	32.6 Å²	32.6	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-57.8	-50.1	172.4	-165.9	-171	-78.4	0	0	110.4	I298 W396 K397 Q402 L403 E404	I298-Q400 HydrophobicContact CD1-CG 4.33Å; W396-Q400 HydrophobicContact CZ2-CB 3.89Å; W396-Q400 HydrophobicContact CZ2-CG 3.9Å; W396-Q400 WeakPolarHBondContact O-CB 3.47Å; W396-Q400 PolarHBondContact O-N 3.38Å; K397-Q400 WeakPolarHBondContact O-CB 3.49Å; K397-Q400 PolarHBondContact O-N 3.36Å; Q400-Q402 VanDerWaalsContact C-N 3.27Å; Q400-Q402 PolarHBondContact O-N 3.16Å; Q400-L403 CarbonylContact O-C 3.58Å; Q400-L403 PolarHBondContact O-N 2.81Å; Q400-E404 HydrophobicContact CG-CG 4.45Å; Q400-E404 PolarHBondContact NE2-OE1 3.03Å; Q400-E404 VanDerWaalsContact O-CG 3.31Å; Q400-E404 WeakPolarHBondContact O-CG 3.47Å; Q400-E404 PolarHBondContact O-N 3.4Å
401	S	87.8	Confident	86	Confident	25 Å²	25	36.1 Å²	36.1	18%	0.175	17%	0.171	C	C	.	.	H	α-helix	trans	-70.4	-18.1	178.6	-67.1	0	0	0	0	115.1	K397 E404 T865	K397-S401 PolarHBondContact O-N 2.99Å; S401-E404 VanDerWaalsContact CA-OE2 3.24Å; S401-E404 WeakPolarHBondContact CA-OE2 3.28Å; S401-E404 WeakPolarHBondContact CB-OE2 3.39Å; S401-E404 PolarHBondContact OG-OE2 3.4Å; S401-T865 WeakPolarHBondContact O-CG2 3.32Å
402	Q	87.1	Confident	84.2	Confident	70 Å²	70	39.4 Å²	39.4	33%	0.327	18%	0.183	S	C	.	.	H	α-helix	trans	-69.5	-48.7	164.2	174.4	174.5	-6.9	0	0	110.8	R398 Y399 Q400 E404 F405 E406	R398-Q402 PolarHBondContact O-N 2.75Å; Y399-Q402 WeakPolarHBondContact O-CB 3.49Å; Y399-Q402 PolarHBondContact O-N 3.2Å; Q400-Q402 VanDerWaalsContact C-N 3.27Å; Q400-Q402 PolarHBondContact O-N 3.16Å; Q402-E404 VanDerWaalsContact C-N 3.34Å; Q402-E404 PolarHBondContact O-N 3.38Å; Q402-F405 PolarHBondContact O-N 2.97Å; Q402-E406 HydrophobicContact CG-CG 4.41Å; Q402-E406 WeakPolarHBondContact CG-OE1 3.48Å; Q402-E406 PolarHBondContact NE2-OE1 3.41Å; Q402-E406 WeakPolarHBondContact O-CG 3.36Å; Q402-E406 PolarHBondContact O-N 2.8Å
403	L	88.2	Confident	82	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-65.9	-34.5	177.6	-61.4	174.2	0	0	0	112.6	I298 A301 Y399 Q400 F405 E406 W407	I298-L403 HydrophobicContact CD1-CB 4.42Å; I298-L403 HydrophobicContact CD1-CD1 3.83Å; A301-L403 HydrophobicContact CB-CD1 3.54Å; Y399-L403 HydrophobicContact CD1-CD1 4.28Å; Y399-L403 HydrophobicContact CD2-CG 4.41Å; Y399-L403 HydrophobicContact CE1-CD1 3.91Å; Y399-L403 HydrophobicContact CE2-CD1 4.24Å; Y399-L403 HydrophobicContact CE2-CD2 4.02Å; Y399-L403 HydrophobicContact CE2-CG 4.08Å; Y399-L403 WeakPolarHBondContact O-CG 3.18Å; Y399-L403 PolarHBondContact O-N 2.91Å; Q400-L403 CarbonylContact O-C 3.58Å; Q400-L403 PolarHBondContact O-N 2.81Å; L403-F405 PolarHBondContact O-N 3.34Å; L403-E406 PolarHBondContact O-N 3.32Å; L403-W407 HydrophobicContact CB-CD2 4.31Å; L403-W407 HydrophobicContact CB-CE3 4.44Å; L403-W407 HydrophobicContact CB-CZ2 4.45Å; L403-W407 HydrophobicContact CD1-CH2 4.11Å; L403-W407 HydrophobicContact CD1-CZ2 4.26Å; L403-W407 HydrophobicContact CD2-CH2 4.36Å; L403-W407 HydrophobicContact CD2-CZ2 3.7Å; L403-W407 HydrophobicContact CG-CZ2 4.35Å; L403-W407 VanDerWaalsContact O-CB 3.22Å; L403-W407 WeakPolarHBondContact O-CB 3.15Å; L403-W407 VanDerWaalsContact O-CG 3.31Å; L403-W407 PolarHBondContact O-N 2.96Å
404	E	85.9	Confident	79.8	Confident	30 Å²	30	53.4 Å²	53.4	14%	0.14	25%	0.252	C	S	.	.	H	α-helix	trans	-58.9	-37.3	175.9	-74.4	164.1	176.2	0	0	111.5	Q400 S401 Q402 T409 V410 R723	Q400-E404 HydrophobicContact CG-CG 4.45Å; Q400-E404 PolarHBondContact NE2-OE1 3.03Å; Q400-E404 VanDerWaalsContact O-CG 3.31Å; Q400-E404 WeakPolarHBondContact O-CG 3.47Å; Q400-E404 PolarHBondContact O-N 3.4Å; S401-E404 VanDerWaalsContact CA-OE2 3.24Å; S401-E404 WeakPolarHBondContact CA-OE2 3.28Å; S401-E404 WeakPolarHBondContact CB-OE2 3.39Å; S401-E404 PolarHBondContact OG-OE2 3.4Å; Q402-E404 VanDerWaalsContact C-N 3.34Å; Q402-E404 PolarHBondContact O-N 3.38Å; E404-T409 VanDerWaalsContact CA-OG1 3.28Å; E404-T409 WeakPolarHBondContact CA-OG1 3.45Å; E404-T409 PolarHBondContact O-N 2.98Å; E404-T409 PolarHBondContact O-OG1 2.97Å; E404-V410 VanDerWaalsContact C-CG2 3.48Å; E404-V410 HydrophobicContact CB-CG2 4.2Å; E404-V410 WeakPolarHBondContact O-CG2 3.47Å; E404-V410 PolarHBondContact O-N 2.94Å; E404-R723 HydrophobicContact CG-CB 4.36Å; E404-R723 WeakPolarHBondContact CG-O 3.38Å
405	F	82.7	Confident	77.7	Confident	40 Å²	40	60.2 Å²	60.2	18%	0.175	28%	0.283	C	S	.	.	H	α-helix	trans	-74.6	-55.3	173.8	177	-97	0	0	0	111.5	Q402 L403 W407 D408 V410 T865 H868 L869 E872	Q402-F405 PolarHBondContact O-N 2.97Å; L403-F405 PolarHBondContact O-N 3.34Å; F405-W407 PolarHBondContact O-N 3.09Å; F405-D408 PolarHBondContact O-N 2.78Å; F405-V410 HydrophobicContact CB-CG2 4.26Å; F405-T865 HydrophobicContact CB-CG2 3.77Å; F405-T865 HydrophobicContact CG-CG2 4.13Å; F405-H868 HydrophobicContact CD1-CB 4.46Å; F405-H868 HydrophobicContact CE1-CB 3.66Å; F405-H868 HydrophobicContact CE2-CB 4.03Å; F405-H868 HydrophobicContact CZ-CB 3.43Å; F405-H868 VanDerWaalsContact CZ-CB 3.43Å; F405-L869 HydrophobicContact CD2-CB 4.32Å; F405-L869 HydrophobicContact CD2-CD1 4.29Å; F405-L869 HydrophobicContact CE2-CB 4.45Å; F405-E872 HydrophobicContact CE2-CB 4.38Å; F405-E872 WeakPolarHBondContact CE2-OE2 3.37Å
406	E	82.4	Confident	75.8	Confident	56 Å²	56	62.8 Å²	62.8	26%	0.262	30%	0.296	S	S	.	.	H	α-helix	trans	-57.9	-23.4	-178.8	-70.5	172.2	-174.7	0	0	113.6	R289 Q402 L403	R289-E406 PolarHBondContact NH1-O 3.3Å; Q402-E406 HydrophobicContact CG-CG 4.41Å; Q402-E406 WeakPolarHBondContact CG-OE1 3.48Å; Q402-E406 PolarHBondContact NE2-OE1 3.41Å; Q402-E406 WeakPolarHBondContact O-CG 3.36Å; Q402-E406 PolarHBondContact O-N 2.8Å; L403-E406 PolarHBondContact O-N 3.32Å
407	W	85.4	Confident	74.5	Confident	6 Å²	6	64.7 Å²	64.7	2%	0.023	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	15.9	-175.5	-54.8	-1.7	0	0	0	114.5	L285 R289 E294 I298 A301 L403 F405 T409	L285-W407 HydrophobicContact CB-CZ2 4.18Å; R289-W407 VanDerWaalsContact CD-CD1 3.47Å; R289-W407 HydrophobicContact CG-CD2 4.38Å; R289-W407 HydrophobicContact CG-CG 4.46Å; E294-W407 HydrophobicContact CB-CE3 4.48Å; I298-W407 HydrophobicContact CB-CZ3 3.96Å; I298-W407 HydrophobicContact CD1-CZ3 4.11Å; A301-W407 HydrophobicContact CB-CH2 4.12Å; L403-W407 HydrophobicContact CB-CD2 4.31Å; L403-W407 HydrophobicContact CB-CE3 4.44Å; L403-W407 HydrophobicContact CB-CZ2 4.45Å; L403-W407 HydrophobicContact CD1-CH2 4.11Å; L403-W407 HydrophobicContact CD1-CZ2 4.26Å; L403-W407 HydrophobicContact CD2-CH2 4.36Å; L403-W407 HydrophobicContact CD2-CZ2 3.7Å; L403-W407 HydrophobicContact CG-CZ2 4.35Å; L403-W407 VanDerWaalsContact O-CB 3.22Å; L403-W407 WeakPolarHBondContact O-CB 3.15Å; L403-W407 VanDerWaalsContact O-CG 3.31Å; L403-W407 PolarHBondContact O-N 2.96Å; F405-W407 PolarHBondContact O-N 3.09Å; W407-T409 VanDerWaalsContact C-N 3.29Å; W407-T409 HydrophobicContact CB-CG2 4.34Å; W407-T409 WeakPolarHBondContact O-CG2 3.31Å; W407-T409 PolarHBondContact O-N 3.35Å
408	D	81.9	Confident	73.4	Confident	44 Å²	44	65.1 Å²	65.1	24%	0.235	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	34.2	175.4	-60.4	-54.5	0	0	0	114.2	K144 T184 F405 K721	K144-D408 HydrophobicContact CB-CB 3.91Å; K144-D408 HydrophobicContact CD-CB 3.81Å; K144-D408 HydrophobicContact CG-CB 4.4Å; T184-D408 WeakPolarHBondContact CG2-OD1 3.38Å; T184-D408 PolarHBondContact OG1-OD1 2.91Å; F405-D408 PolarHBondContact O-N 2.78Å; D408-K721 PolarHBondContact O-NZ 3.43Å
409	T	80.1	Confident	72.6	Confident	4 Å²	4	62 Å²	62	3%	0.025	31%	0.305	C	S	.	.			trans	-105	-9.2	-178.4	70	0	0	0	0	114.2	E294 E404 W407 E411 F412 K721	E294-T409 HydrophobicContact CB-CG2 4.38Å; E294-T409 HydrophobicContact CG-CG2 4.31Å; E404-T409 VanDerWaalsContact CA-OG1 3.28Å; E404-T409 WeakPolarHBondContact CA-OG1 3.45Å; E404-T409 PolarHBondContact O-N 2.98Å; E404-T409 PolarHBondContact O-OG1 2.97Å; W407-T409 VanDerWaalsContact C-N 3.29Å; W407-T409 HydrophobicContact CB-CG2 4.34Å; W407-T409 WeakPolarHBondContact O-CG2 3.31Å; W407-T409 PolarHBondContact O-N 3.35Å; T409-E411 PolarHBondContact O-N 2.82Å; T409-E411 VanDerWaalsContact O-N 3.14Å; T409-F412 PolarHBondContact O-N 3.16Å; T409-K721 HydrophobicContact CG2-CD 4.4Å
410	V	67.1	Low	72.2	Confident	57 Å²	57	60.5 Å²	60.5	35%	0.345	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-35.7	176.2	-164.4	0	0	0	0	112.9	E404 F405 L869	E404-V410 VanDerWaalsContact C-CG2 3.48Å; E404-V410 HydrophobicContact CB-CG2 4.2Å; E404-V410 WeakPolarHBondContact O-CG2 3.47Å; E404-V410 PolarHBondContact O-N 2.94Å; F405-V410 HydrophobicContact CB-CG2 4.26Å; V410-L869 HydrophobicContact CG1-CD1 4.19Å; V410-L869 HydrophobicContact CG1-CD2 4.5Å
411	E	58.7	Low	71.4	Confident	88 Å²	88	61 Å²	61	41%	0.411	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	24.2	-166.2	-153.7	151.9	-132.3	0	0	113.7	K144 T409 L413	K144-E411 WeakPolarHBondContact CE-OE2 3.48Å; K144-E411 IonicContact NZ-OE2 3.61Å; K144-E411 PolarHBondContact NZ-OE2 3.34Å; T409-E411 PolarHBondContact O-N 2.82Å; T409-E411 VanDerWaalsContact O-N 3.14Å; E411-L413 HydrophobicContact CG-CD1 4.33Å; E411-L413 PolarHBondContact O-N 2.86Å
412	F	53.3	Low	71	Confident	98 Å²	98	63.9 Å²	63.9	43%	0.43	32%	0.315	S	S	.	.			trans	-76.1	66.6	167.4	-157.2	-95.1	0	0	0	110.2	T409 E417	T409-F412 PolarHBondContact O-N 3.16Å; F412-E417 HydrophobicContact CE1-CB 4.01Å; F412-E417 HydrophobicContact CE1-CG 4.32Å; F412-E417 HydrophobicContact CZ-CB 4.04Å; F412-E417 HydrophobicContact CZ-CG 4.08Å
413	L	49.4	Very low	70.8	Confident	122 Å²	122	61.9 Å²	61.9	64%	0.639	31%	0.305	S	S	*	.			trans	-62.4	143.9	-179.5	-71.9	167.8	0	0	0	111.1	E411 Q415	E411-L413 HydrophobicContact CG-CD1 4.33Å; E411-L413 PolarHBondContact O-N 2.86Å; L413-Q415 PolarHBondContact O-N 2.92Å
414	E	46.1	Very low	70.1	Confident	177 Å²	177	63.9 Å²	63.9	83%	0.827	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	10	-158.6	-56.6	177.7	130.4	0	0	115.5
415	Q	45.3	Very low	69.6	Low	158 Å²	158	65.2 Å²	65.2	74%	0.738	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-18	-166.4	-66.8	179.9	-22.7	0	0	114.7	L413	L413-Q415 PolarHBondContact O-N 2.92Å
416	Q	54.2	Low	69.4	Low	133 Å²	133	65 Å²	65	62%	0.621	34%	0.337	S	S	*	.			trans	-140	38	-174.8	-62.5	-164.6	14	0	0	115.7	P418	Q416-P418 WeakPolarHBondContact O-CD 3.22Å
417	E	65.4	Low	69.3	Low	41 Å²	41	63.6 Å²	63.6	19%	0.192	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-65.1	124.2	156.6	-171.4	-175.1	147.2	0	0	108.4	F412 S419 T545 R546 T547	F412-E417 HydrophobicContact CE1-CB 4.01Å; F412-E417 HydrophobicContact CE1-CG 4.32Å; F412-E417 HydrophobicContact CZ-CB 4.04Å; F412-E417 HydrophobicContact CZ-CG 4.08Å; E417-S419 PolarHBondContact O-N 2.95Å; E417-T545 HydrophobicContact CB-CG2 4.27Å; E417-T545 WeakPolarHBondContact OE1-CB 3.15Å; E417-R546 WeakPolarHBondContact OE1-CA 3.47Å; E417-R546 WeakPolarHBondContact OE1-CB 3.36Å; E417-R546 PolarHBondContact OE1-N 3.3Å; E417-T547 PolarHBondContact OE1-N 3.13Å; E417-T547 WeakPolarHBondContact OE2-CB 3.43Å; E417-T547 WeakPolarHBondContact OE2-CG2 3.35Å; E417-T547 PolarHBondContact OE2-OG1 2.86Å
418	P	68.5	Low	68.9	Low	56 Å²	56	68 Å²	68	36%	0.364	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-62.2	127.1	179.9	24.1	-34	0	0	0	111.1	F215 Q416	F215-P418 HydrophobicContact CE2-CB 3.88Å; F215-P418 HydrophobicContact CE2-CG 4.01Å; Q416-P418 WeakPolarHBondContact O-CD 3.22Å
419	S	73.9	Confident	68.8	Low	29 Å²	29	71.9 Å²	71.9	20%	0.203	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-54.5	150.2	175	52.5	0	0	0	0	112.3	R219 E417 D424	R219-S419 PolarHBondContact NH2-O 3.04Å; E417-S419 PolarHBondContact O-N 2.95Å; S419-D424 WeakPolarHBondContact CB-OD1 3.2Å; S419-D424 VanDerWaalsContact OG-CG 3.27Å; S419-D424 PolarHBondContact OG-OD1 3.28Å; S419-D424 PolarHBondContact OG-OD2 3.46Å
420	R	80.9	Confident	68.7	Low	17 Å²	17	76.3 Å²	76.3	6%	0.064	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-67.3	133.3	178.7	-75.3	175.4	60.8	-160.3	9.5	110.1	E422 Y423 D424 P543 R544 T545	R420-E422 IonicContact CZ-OE2 2.61Å; R420-E422 IonicContact NE-OE2 2.67Å; R420-E422 IonicContact NH2-OE2 3.58Å; R420-E422 PolarHBondContact NH2-OE2 3.45Å; R420-E422 PolarHBondContact O-N 2.9Å; R420-Y423 WeakPolarHBondContact O-CA 3.46Å; R420-Y423 WeakPolarHBondContact O-CB 3.12Å; R420-Y423 PolarHBondContact O-N 3.44Å; R420-D424 PolarHBondContact O-N 2.9Å; R420-P543 PolarHBondContact NH1-O 3.42Å; R420-R544 PolarHBondContact N-O 3.44Å; R420-T545 WeakPolarHBondContact CD-O 3.16Å
421	P	76	Confident	69.3	Low	28 Å²	28	76.4 Å²	76.4	18%	0.182	40%	0.397	C	S	.	.	H	α-helix	trans	-55.1	-24.5	174.4	-29.3	36.3	0	0	0	114.8	C218 F231 A425	C218-P421 HydrophobicContact CB-CG 4.32Å; C218-P421 WeakPolarHBondContact O-CG 3.2Å; F231-P421 HydrophobicContact CD2-CB 4.22Å; F231-P421 HydrophobicContact CE2-CB 3.76Å; P421-A425 WeakPolarHBondContact O-CB 3.42Å; P421-A425 PolarHBondContact O-N 2.95Å; P421-A425 VanDerWaalsContact O-N 3.11Å
422	E	78.4	Confident	70.4	Confident	85 Å²	85	77.9 Å²	77.9	40%	0.397	41%	0.407	S	S	.	.	H	α-helix	trans	-78.5	-30.4	177	-68.5	160.5	162	0	0	112.8	R420	R420-E422 IonicContact CZ-OE2 2.61Å; R420-E422 IonicContact NE-OE2 2.67Å; R420-E422 IonicContact NH2-OE2 3.58Å; R420-E422 PolarHBondContact NH2-OE2 3.45Å; R420-E422 PolarHBondContact O-N 2.9Å
423	Y	82.1	Confident	71.6	Confident	28 Å²	28	74.7 Å²	74.7	11%	0.11	39%	0.394	C	S	.	.	H	α-helix	trans	-72.2	-54	170.8	-176.3	-90	0	0	0	109.4	R420 A425 A426 C427 P443 L542 R544	R420-Y423 WeakPolarHBondContact O-CA 3.46Å; R420-Y423 WeakPolarHBondContact O-CB 3.12Å; R420-Y423 PolarHBondContact O-N 3.44Å; Y423-A425 VanDerWaalsContact C-N 3.26Å; Y423-A425 PolarHBondContact O-N 3.35Å; Y423-A426 WeakPolarHBondContact O-CA 3.34Å; Y423-A426 PolarHBondContact O-N 2.78Å; Y423-C427 PolarHBondContact O-N 3.11Å; Y423-C427 PolarHBondContact O-SG 2.96Å; Y423-P443 HydrophobicContact CD2-CG 4.03Å; Y423-P443 HydrophobicContact CE2-CG 3.61Å; Y423-P443 VanDerWaalsContact CZ-CD 3.43Å; Y423-P443 WeakPolarHBondContact OH-CD 3.41Å; Y423-L542 HydrophobicContact CD2-CG 4.29Å; Y423-L542 WeakPolarHBondContact CD2-O 3.38Å; Y423-R544 HydrophobicContact CD1-CB 4.46Å; Y423-R544 HydrophobicContact CD1-CG 4.19Å; Y423-R544 HydrophobicContact CD2-CB 4.12Å; Y423-R544 HydrophobicContact CE1-CB 4.22Å; Y423-R544 HydrophobicContact CE1-CG 3.92Å; Y423-R544 HydrophobicContact CE2-CB 3.84Å; Y423-R544 HydrophobicContact CE2-CG 4.46Å; Y423-R544 HydrophobicContact CG-CB 4.41Å
424	D	75.3	Confident	73.1	Confident	45 Å²	45	75 Å²	75	24%	0.241	40%	0.403	C	S	.	.	H	α-helix	trans	-51.7	-44.1	178.2	-62	-15.2	0	0	0	112	R219 F231 S419 R420 A426 C427	R219-D424 IonicContact NH2-OD2 3.82Å; F231-D424 HydrophobicContact CE2-CB 4.19Å; F231-D424 HydrophobicContact CZ-CB 3.74Å; S419-D424 WeakPolarHBondContact CB-OD1 3.2Å; S419-D424 VanDerWaalsContact OG-CG 3.27Å; S419-D424 PolarHBondContact OG-OD1 3.28Å; S419-D424 PolarHBondContact OG-OD2 3.46Å; R420-D424 PolarHBondContact O-N 2.9Å; D424-A426 PolarHBondContact O-N 2.97Å; D424-C427 PolarHBondContact O-N 2.95Å
425	A	73.6	Confident	74.7	Confident	57 Å²	57	71.7 Å²	71.7	47%	0.471	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-6.7	-179.9	0	0	0	0	0	114.9	F231 P421 Y423	F231-A425 HydrophobicContact CE1-CB 3.95Å; F231-A425 HydrophobicContact CZ-CB 3.86Å; P421-A425 WeakPolarHBondContact O-CB 3.42Å; P421-A425 PolarHBondContact O-N 2.95Å; P421-A425 VanDerWaalsContact O-N 3.11Å; Y423-A425 VanDerWaalsContact C-N 3.26Å; Y423-A425 PolarHBondContact O-N 3.35Å
426	A	79	Confident	76.2	Confident	36 Å²	36	68 Å²	68	30%	0.298	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-2.9	176.1	0	0	0	0	0	113	Y423 D424 P443 L542	Y423-A426 WeakPolarHBondContact O-CA 3.34Å; Y423-A426 PolarHBondContact O-N 2.78Å; D424-A426 PolarHBondContact O-N 2.97Å; A426-P443 HydrophobicContact CB-CB 4.05Å; A426-P443 WeakPolarHBondContact O-CA 3.48Å; A426-P443 WeakPolarHBondContact O-CB 3.32Å; A426-L542 HydrophobicContact CB-CD2 3.67Å
427	C	79.9	Confident	77.3	Confident	26 Å²	26	64.3 Å²	64.3	18%	0.176	38%	0.381	C	S	.	.			trans	-74	126.7	-177.9	-68.9	0	0	0	0	111.6	Y423 D424 K441	Y423-C427 PolarHBondContact O-N 3.11Å; Y423-C427 PolarHBondContact O-SG 2.96Å; D424-C427 PolarHBondContact O-N 2.95Å; C427-K441 HydrophobicContact CB-CB 3.66Å; C427-K441 PolarHBondContact SG-O 2.71Å
428	V	77.7	Confident	78	Confident	100 Å²	100	66.5 Å²	66.5	61%	0.606	40%	0.397	S	S	*	.			trans	-132.5	-38.1	-172.8	176	0	0	0	0	112.3	V442	V428-V442 PolarHBondContact N-O 2.86Å
429	Y	79.4	Confident	78.3	Confident	124 Å²	124	70.7 Å²	70.7	49%	0.486	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.2	-175.6	-55.2	-82.8	0	0	0	110.5	K441 V442 P443	Y429-K441 CarbonylContact O-C 3.52Å; Y429-K441 VanDerWaalsContact O-CA 3.29Å; Y429-K441 WeakPolarHBondContact O-CA 3.41Å; Y429-V442 PolarHBondContact N-O 3.47Å; Y429-V442 PolarHBondContact O-N 2.74Å; Y429-P443 WeakPolarHBondContact CE2-O 3.41Å
430	D	79.5	Confident	78.4	Confident	97 Å²	97	71.4 Å²	71.4	52%	0.519	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	135.6	174.7	-68.3	-76.9	0	0	0	111.6	K441	D430-K441 VanDerWaalsContact CG-CE 3.43Å; D430-K441 WeakPolarHBondContact OD1-CE 3.36Å; D430-K441 WeakPolarHBondContact OD1-CG 3.29Å; D430-K441 IonicContact OD1-NZ 2.69Å; D430-K441 WeakPolarHBondContact OD2-CE 3.26Å; D430-K441 IonicContact OD2-NZ 3.55Å
431	T	78.4	Confident	78.3	Confident	60 Å²	60	76 Å²	76	37%	0.368	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	140.1	177.7	46.4	0	0	0	0	110.4	E440 V442	T431-E440 PolarHBondContact N-O 3.33Å; T431-E440 PolarHBondContact O-N 3.44Å; T431-E440 PolarHBondContact OG1-O 2.89Å; T431-V442 HydrophobicContact CG2-CG2 3.78Å; T431-V442 WeakPolarHBondContact OG1-CG1 3.49Å
432	I	81.8	Confident	78.6	Confident	119 Å²	119	75.9 Å²	75.9	61%	0.61	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	127.3	173.6	-59	171.6	0	0	0	108.3	P434 Q439	I432-P434 WeakPolarHBondContact O-CD 3.48Å; I432-Q439 HydrophobicContact CG1-CG 4.22Å
433	N	78.5	Confident	78.8	Confident	31 Å²	31	72.3 Å²	72.3	17%	0.166	42%	0.415	C	S	.	.			trans	-74.2	119.3	171.3	176.3	-18.1	0	0	0	108.9	V435 T436 G437 V438 E440	N433-V435 PolarHBondContact O-N 3.21Å; N433-V435 PolarHBondContact OD1-N 3.19Å; N433-T436 WeakPolarHBondContact CB-OG1 3.35Å; N433-T436 VanDerWaalsContact CG-OG1 3.28Å; N433-T436 PolarHBondContact ND2-OG1 3.47Å; N433-T436 PolarHBondContact O-N 3.41Å; N433-T436 PolarHBondContact OD1-N 3.41Å; N433-G437 WeakPolarHBondContact O-CA 3.26Å; N433-G437 PolarHBondContact O-N 3.34Å; N433-V438 PolarHBondContact N-O 2.89Å; N433-E440 HydrophobicContact CB-CG 4.08Å; N433-E440 PolarHBondContact ND2-OE1 3.2Å
434	P	82.3	Confident	78.9	Confident	127 Å²	127	74 Å²	74	83%	0.825	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-11.7	-174.6	30	-36.6	0	0	0	114.2	I432	I432-P434 WeakPolarHBondContact O-CD 3.48Å
435	V	78.9	Confident	79.4	Confident	108 Å²	108	75.7 Å²	75.7	66%	0.655	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-38.3	179.1	-176.6	0	0	0	0	111.7	N433	N433-V435 PolarHBondContact O-N 3.21Å; N433-V435 PolarHBondContact OD1-N 3.19Å
436	T	77.2	Confident	79.8	Confident	80 Å²	80	81.2 Å²	81.2	49%	0.491	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-15.1	-176.3	62.2	0	0	0	0	113.8	N433 V438	N433-T436 WeakPolarHBondContact CB-OG1 3.35Å; N433-T436 VanDerWaalsContact CG-OG1 3.28Å; N433-T436 PolarHBondContact ND2-OG1 3.47Å; N433-T436 PolarHBondContact O-N 3.41Å; N433-T436 PolarHBondContact OD1-N 3.41Å; T436-V438 PolarHBondContact O-N 3.11Å; T436-V438 VanDerWaalsContact O-N 3.12Å; T436-V438 PolarHBondContact OG1-N 2.92Å
437	G	77.6	Confident	80.2	Confident	57 Å²	57	84.2 Å²	84.2	59%	0.588	47%	0.467	S	S	*	.			trans	71.2	-7.7	-172.1	0	0	0	0	0	114.6	N433	N433-G437 WeakPolarHBondContact O-CA 3.26Å; N433-G437 PolarHBondContact O-N 3.34Å
438	V	78.4	Confident	80.6	Confident	87 Å²	87	84.1 Å²	84.1	53%	0.527	47%	0.47	S	S	.	.			trans	-77.4	144.6	-177.1	-178	0	0	0	0	110.7	N433 T436 E440	N433-V438 PolarHBondContact N-O 2.89Å; T436-V438 PolarHBondContact O-N 3.11Å; T436-V438 VanDerWaalsContact O-N 3.12Å; T436-V438 PolarHBondContact OG1-N 2.92Å; V438-E440 PolarHBondContact O-N 3.42Å
439	Q	75.1	Confident	81	Confident	143 Å²	143	86.4 Å²	86.4	67%	0.668	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	111	170	-68.9	-175.7	-1.9	0	0	110.3	I432	I432-Q439 HydrophobicContact CG1-CG 4.22Å
440	E	76.2	Confident	81.5	Confident	45 Å²	45	83.2 Å²	83.2	21%	0.21	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	143.6	174.7	-68.3	-172.7	-172.4	0	0	110.9	T431 N433 V438 R544	T431-E440 PolarHBondContact N-O 3.33Å; T431-E440 PolarHBondContact O-N 3.44Å; T431-E440 PolarHBondContact OG1-O 2.89Å; N433-E440 HydrophobicContact CB-CG 4.08Å; N433-E440 PolarHBondContact ND2-OE1 3.2Å; V438-E440 PolarHBondContact O-N 3.42Å; E440-R544 IonicContact OE1-NH2 2.82Å; E440-R544 PolarHBondContact OE1-NH2 3.31Å; E440-R544 IonicContact OE2-CZ 2.7Å; E440-R544 IonicContact OE2-NH1 3.62Å; E440-R544 PolarHBondContact OE2-NH1 3.11Å; E440-R544 IonicContact OE2-NH2 3.1Å; E440-R544 PolarHBondContact OE2-NH2 3.11Å
441	K	78.1	Confident	82.1	Confident	114 Å²	114	85.1 Å²	85.1	50%	0.496	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	140.3	173.9	-66.7	-171.4	163.5	-177.9	0	111.2	C427 Y429 D430	C427-K441 HydrophobicContact CB-CB 3.66Å; C427-K441 PolarHBondContact SG-O 2.71Å; Y429-K441 CarbonylContact O-C 3.52Å; Y429-K441 VanDerWaalsContact O-CA 3.29Å; Y429-K441 WeakPolarHBondContact O-CA 3.41Å; D430-K441 VanDerWaalsContact CG-CE 3.43Å; D430-K441 WeakPolarHBondContact OD1-CE 3.36Å; D430-K441 WeakPolarHBondContact OD1-CG 3.29Å; D430-K441 IonicContact OD1-NZ 2.69Å; D430-K441 WeakPolarHBondContact OD2-CE 3.26Å; D430-K441 IonicContact OD2-NZ 3.55Å
442	V	82.4	Confident	82.6	Confident	25 Å²	25	85.1 Å²	85.1	15%	0.152	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	153.3	178	-65	0	0	0	0	111.7	V428 Y429 T431	V428-V442 PolarHBondContact N-O 2.86Å; Y429-V442 PolarHBondContact N-O 3.47Å; Y429-V442 PolarHBondContact O-N 2.74Å; T431-V442 HydrophobicContact CG2-CG2 3.78Å; T431-V442 WeakPolarHBondContact OG1-CG1 3.49Å
443	P	83.3	Confident	83	Confident	9 Å²	9	82.6 Å²	82.6	6%	0.058	45%	0.447	C	S	.	.	S	Bend	trans	-83.2	-27.3	-175.5	31.7	-35.1	0	0	0	113.9	Y423 A426 Y429 L542	Y423-P443 HydrophobicContact CD2-CG 4.03Å; Y423-P443 HydrophobicContact CE2-CG 3.61Å; Y423-P443 VanDerWaalsContact CZ-CD 3.43Å; Y423-P443 WeakPolarHBondContact OH-CD 3.41Å; A426-P443 HydrophobicContact CB-CB 4.05Å; A426-P443 WeakPolarHBondContact O-CA 3.48Å; A426-P443 WeakPolarHBondContact O-CB 3.32Å; Y429-P443 WeakPolarHBondContact CE2-O 3.41Å; P443-L542 HydrophobicContact CB-CD2 4.01Å; P443-L542 HydrophobicContact CG-CD2 4.11Å
444	F	83.8	Confident	83.6	Confident	64 Å²	64	84.9 Å²	84.9	28%	0.281	47%	0.466	S	S	.	.	S	Bend	trans	-142.8	149.7	-174.2	-53.7	-57.5	0	0	0	111.9	R452 L542	F444-R452 VanDerWaalsContact CZ-NE 3.34Å; F444-L542 HydrophobicContact CE2-CB 4.14Å; F444-L542 HydrophobicContact CE2-CD2 3.99Å; F444-L542 HydrophobicContact CZ-CD2 4.31Å
445	T	85.3	Confident	84	Confident	81 Å²	81	81.8 Å²	81.8	50%	0.497	44%	0.441	S	S	.	.			trans	-70.3	160.7	167.5	62.5	0	0	0	0	111.4	C447 G448 R449	T445-C447 VanDerWaalsContact C-N 3.34Å; T445-C447 PolarHBondContact O-N 3.41Å; T445-G448 PolarHBondContact O-N 2.72Å; T445-R449 PolarHBondContact O-N 2.8Å
446	F	83.6	Confident	84.6	Confident	173 Å²	173	76.7 Å²	76.7	76%	0.759	41%	0.411	S	S	*	.	H	α-helix	trans	-52.2	-46.8	-178.1	-178.4	-98.6	0	0	0	113.5	G448 R449 C450	F446-G448 PolarHBondContact O-N 3.01Å; F446-R449 PolarHBondContact O-N 2.6Å; F446-C450 PolarHBondContact O-N 3.19Å; F446-C450 PolarHBondContact O-SG 3.39Å
447	C	87.4	Confident	85.2	Confident	98 Å²	98	77.6 Å²	77.6	66%	0.662	41%	0.412	S	S	*	.	H	α-helix	trans	-61.1	-43.6	176.8	-175.9	0	0	0	0	112	T445 R449 C450 F451	T445-C447 VanDerWaalsContact C-N 3.34Å; T445-C447 PolarHBondContact O-N 3.41Å; C447-R449 VanDerWaalsContact C-N 3.33Å; C447-R449 PolarHBondContact O-N 2.72Å; C447-C450 PolarHBondContact O-N 2.91Å; C447-F451 PolarHBondContact O-N 2.94Å
448	G	87.6	Confident	85.9	Confident	24 Å²	24	76.8 Å²	76.8	25%	0.247	40%	0.403	C	S	.	.	H	α-helix	trans	-62.8	-36.1	176	0	0	0	0	0	113.4	T445 F446 R452	T445-G448 PolarHBondContact O-N 2.72Å; F446-G448 PolarHBondContact O-N 3.01Å; G448-R452 WeakPolarHBondContact O-CG 3.37Å; G448-R452 PolarHBondContact O-N 3.31Å
449	R	86.3	Confident	86.5	Confident	148 Å²	148	74.2 Å²	74.2	56%	0.558	39%	0.388	S	S	*	.	H	α-helix	trans	-65.9	-46.8	173.2	-173.5	178.6	-178.9	-178.9	0.1	111.4	T445 F446 C447 F451 R452 I453	T445-R449 PolarHBondContact O-N 2.8Å; F446-R449 PolarHBondContact O-N 2.6Å; C447-R449 VanDerWaalsContact C-N 3.33Å; C447-R449 PolarHBondContact O-N 2.72Å; R449-F451 PolarHBondContact O-N 2.65Å; R449-R452 PolarHBondContact O-N 2.85Å; R449-I453 HydrophobicContact CG-CD1 3.89Å; R449-I453 WeakPolarHBondContact O-CG1 3.27Å; R449-I453 PolarHBondContact O-N 2.92Å
450	C	89	Confident	87.3	Confident	57 Å²	57	67.9 Å²	67.9	39%	0.385	36%	0.359	S	S	.	.	H	α-helix	trans	-62	-41.4	179.3	-64.3	0	0	0	0	112.2	F446 C447 I453 S454	F446-C450 PolarHBondContact O-N 3.19Å; F446-C450 PolarHBondContact O-SG 3.39Å; C447-C450 PolarHBondContact O-N 2.91Å; C450-I453 PolarHBondContact O-N 3.09Å; C450-S454 WeakPolarHBondContact O-CB 3.34Å; C450-S454 PolarHBondContact O-N 3.21Å
451	F	92	Very high	88	Confident	138 Å²	138	70.5 Å²	70.5	61%	0.605	37%	0.374	S	S	*	.	H	α-helix	trans	-60.7	-44.6	175.5	-178.8	-109.3	0	0	0	112.6	C447 R449 S454 I455	C447-F451 PolarHBondContact O-N 2.94Å; R449-F451 PolarHBondContact O-N 2.65Å; F451-S454 PolarHBondContact O-N 2.87Å; F451-I455 HydrophobicContact CD1-CD1 3.98Å; F451-I455 HydrophobicContact CE1-CD1 3.51Å; F451-I455 HydrophobicContact CE2-CD1 4.22Å; F451-I455 HydrophobicContact CZ-CD1 3.65Å; F451-I455 WeakPolarHBondContact O-CG1 3.5Å; F451-I455 PolarHBondContact O-N 3.49Å; F451-I455 VanDerWaalsContact O-N 3.07Å
452	R	90.2	Very high	88.8	Confident	60 Å²	60	71.2 Å²	71.2	23%	0.226	38%	0.377	C	S	.	.	H	α-helix	trans	-61.7	-45.8	176.5	-72.6	173.4	176.7	-81.1	-8.3	112.5	F444 G448 R449 S454 I455 G456 F540	F444-R452 VanDerWaalsContact CZ-NE 3.34Å; G448-R452 WeakPolarHBondContact O-CG 3.37Å; G448-R452 PolarHBondContact O-N 3.31Å; R449-R452 PolarHBondContact O-N 2.85Å; R452-S454 VanDerWaalsContact C-N 3.35Å; R452-I455 PolarHBondContact O-N 3.03Å; R452-G456 PolarHBondContact O-N 2.92Å; R452-F540 HydrophobicContact CB-CD1 4.41Å; R452-F540 HydrophobicContact CB-CE1 4.02Å; R452-F540 HydrophobicContact CG-CD1 4.36Å; R452-F540 HydrophobicContact CG-CE1 3.77Å; R452-F540 HydrophobicContact CG-CZ 4.08Å; R452-F540 VanDerWaalsContact NH1-CD2 3.32Å; R452-F540 VanDerWaalsContact NH1-CE2 3.28Å; R452-F540 PolarHBondContact NH1-O 3.17Å
453	I	89.2	Confident	89.2	Confident	66 Å²	66	71.9 Å²	71.9	34%	0.338	38%	0.377	S	S	.	.	H	α-helix	trans	-64.7	-39.9	178.8	-66.5	169.7	0	0	0	110.9	R449 C450 I455 G456 I457	R449-I453 HydrophobicContact CG-CD1 3.89Å; R449-I453 WeakPolarHBondContact O-CG1 3.27Å; R449-I453 PolarHBondContact O-N 2.92Å; C450-I453 PolarHBondContact O-N 3.09Å; I453-I455 PolarHBondContact O-N 3.08Å; I453-G456 WeakPolarHBondContact O-CA 3.43Å; I453-G456 PolarHBondContact O-N 3.43Å; I453-G456 VanDerWaalsContact O-N 3.13Å; I453-I457 HydrophobicContact CG2-CD1 3.94Å; I453-I457 HydrophobicContact CG2-CG1 4.48Å; I453-I457 WeakPolarHBondContact O-CG1 3.36Å; I453-I457 PolarHBondContact O-N 3.17Å
454	S	90.8	Very high	89.5	Confident	79 Å²	79	73 Å²	73	55%	0.552	38%	0.382	S	S	*	.	H	α-helix	trans	-61.1	-43.5	175.7	-172.9	0	0	0	0	112.4	C450 F451 R452 G456 I457 G458	C450-S454 WeakPolarHBondContact O-CB 3.34Å; C450-S454 PolarHBondContact O-N 3.21Å; F451-S454 PolarHBondContact O-N 2.87Å; R452-S454 VanDerWaalsContact C-N 3.35Å; S454-G456 VanDerWaalsContact C-N 3.32Å; S454-G456 PolarHBondContact O-N 2.91Å; S454-I457 PolarHBondContact O-N 2.96Å; S454-G458 PolarHBondContact O-N 2.68Å
455	I	91.9	Very high	89.9	Confident	61 Å²	61	74.4 Å²	74.4	31%	0.313	40%	0.396	S	S	.	.	H	α-helix	trans	-60.5	-41.7	172	-70.8	170.7	0	0	0	111.2	F451 R452 I453 G458 T459 F540	F451-I455 HydrophobicContact CD1-CD1 3.98Å; F451-I455 HydrophobicContact CE1-CD1 3.51Å; F451-I455 HydrophobicContact CE2-CD1 4.22Å; F451-I455 HydrophobicContact CZ-CD1 3.65Å; F451-I455 WeakPolarHBondContact O-CG1 3.5Å; F451-I455 PolarHBondContact O-N 3.49Å; F451-I455 VanDerWaalsContact O-N 3.07Å; R452-I455 PolarHBondContact O-N 3.03Å; I453-I455 PolarHBondContact O-N 3.08Å; I455-G458 PolarHBondContact O-N 3.38Å; I455-T459 WeakPolarHBondContact O-CB 3.24Å; I455-T459 PolarHBondContact O-N 3.34Å; I455-T459 PolarHBondContact O-OG1 2.8Å; I455-F540 HydrophobicContact CB-CE1 4.49Å; I455-F540 HydrophobicContact CD1-CE1 4.42Å; I455-F540 HydrophobicContact CG2-CE1 4.29Å
456	G	90.3	Very high	90.1	Very high	1 Å²	1	73.3 Å²	73.3	1%	0.01	39%	0.387	C	S	.	.	H	α-helix	trans	-57.4	-53.6	175.8	0	0	0	0	0	112.1	R452 I453 S454 G458 T459 V460	R452-G456 PolarHBondContact O-N 2.92Å; I453-G456 WeakPolarHBondContact O-CA 3.43Å; I453-G456 PolarHBondContact O-N 3.43Å; I453-G456 VanDerWaalsContact O-N 3.13Å; S454-G456 VanDerWaalsContact C-N 3.32Å; S454-G456 PolarHBondContact O-N 2.91Å; G456-G458 PolarHBondContact O-N 2.9Å; G456-T459 PolarHBondContact O-N 2.88Å; G456-V460 WeakPolarHBondContact O-CG2 3.46Å; G456-V460 PolarHBondContact O-N 3.33Å
457	I	90.6	Very high	90.4	Very high	99 Å²	99	65.1 Å²	65.1	51%	0.508	35%	0.351	S	S	.	.	H	α-helix	trans	-59.7	-47.9	177.9	-65.3	167	0	0	0	111.2	I453 S454 T459 V460 L461	I453-I457 HydrophobicContact CG2-CD1 3.94Å; I453-I457 HydrophobicContact CG2-CG1 4.48Å; I453-I457 WeakPolarHBondContact O-CG1 3.36Å; I453-I457 PolarHBondContact O-N 3.17Å; S454-I457 PolarHBondContact O-N 2.96Å; I457-T459 VanDerWaalsContact C-N 3.28Å; I457-T459 PolarHBondContact O-N 2.75Å; I457-V460 PolarHBondContact O-N 2.79Å; I457-L461 HydrophobicContact CG2-CD1 4.04Å; I457-L461 HydrophobicContact CG2-CG 4.47Å; I457-L461 WeakPolarHBondContact O-CG 3.42Å; I457-L461 PolarHBondContact O-N 3.34Å
458	G	93.4	Very high	90.4	Very high	40 Å²	40	64.6 Å²	64.6	41%	0.412	34%	0.341	S	S	.	.	H	α-helix	trans	-59.8	-37	178.5	0	0	0	0	0	113.1	S454 I455 G456 L461 F462	S454-G458 PolarHBondContact O-N 2.68Å; I455-G458 PolarHBondContact O-N 3.38Å; G456-G458 PolarHBondContact O-N 2.9Å; G458-L461 PolarHBondContact O-N 2.76Å; G458-F462 PolarHBondContact O-N 2.86Å
459	T	90.8	Very high	90.4	Very high	34 Å²	34	66.3 Å²	66.3	21%	0.209	35%	0.353	C	S	.	.	H	α-helix	trans	-70.3	-39.9	176.9	-50.8	0	0	0	0	111.7	I455 G456 I457 F462 W463 V533 I537	I455-T459 WeakPolarHBondContact O-CB 3.24Å; I455-T459 PolarHBondContact O-N 3.34Å; I455-T459 PolarHBondContact O-OG1 2.8Å; G456-T459 PolarHBondContact O-N 2.88Å; I457-T459 VanDerWaalsContact C-N 3.28Å; I457-T459 PolarHBondContact O-N 2.75Å; T459-F462 PolarHBondContact O-N 3.07Å; T459-W463 PolarHBondContact O-N 3.45Å; T459-V533 HydrophobicContact CG2-CG1 4.21Å; T459-I537 HydrophobicContact CG2-CD1 3.68Å; T459-I537 HydrophobicContact CG2-CG1 4.35Å
460	V	91.6	Very high	90.4	Very high	10 Å²	10	60.4 Å²	60.4	6%	0.061	33%	0.334	C	S	.	.	H	α-helix	trans	-61	-46.4	174	175.5	0	0	0	0	110.8	G456 I457 F462 W463 I464 K556	G456-V460 WeakPolarHBondContact O-CG2 3.46Å; G456-V460 PolarHBondContact O-N 3.33Å; I457-V460 PolarHBondContact O-N 2.79Å; V460-F462 PolarHBondContact O-N 3.29Å; V460-W463 PolarHBondContact O-N 3.25Å; V460-I464 HydrophobicContact CG1-CD1 3.99Å; V460-I464 WeakPolarHBondContact O-CG1 3.49Å; V460-I464 PolarHBondContact O-N 2.97Å; V460-K556 HydrophobicContact CG2-CB 4.22Å; V460-K556 HydrophobicContact CG2-CD 3.89Å; V460-K556 HydrophobicContact CG2-CG 3.87Å
461	L	91.4	Very high	90	Very high	100 Å²	100	58.6 Å²	58.6	52%	0.524	32%	0.32	S	S	.	.	H	α-helix	trans	-62.3	-40.6	178.4	-69.1	173.2	0	0	0	112.4	I457 G458 W463 I464 V465	I457-L461 HydrophobicContact CG2-CD1 4.04Å; I457-L461 HydrophobicContact CG2-CG 4.47Å; I457-L461 WeakPolarHBondContact O-CG 3.42Å; I457-L461 PolarHBondContact O-N 3.34Å; G458-L461 PolarHBondContact O-N 2.76Å; L461-W463 PolarHBondContact O-N 3.26Å; L461-I464 PolarHBondContact O-N 3.42Å; L461-V465 WeakPolarHBondContact O-CG2 3.48Å; L461-V465 PolarHBondContact O-N 2.75Å
462	F	93.1	Very high	89.6	Confident	128 Å²	128	55.8 Å²	55.8	56%	0.561	31%	0.314	S	S	*	.	H	α-helix	trans	-58.2	-45.1	174.2	172	-96.6	0	0	0	112.3	G458 T459 V460 V465 L466	G458-F462 PolarHBondContact O-N 2.86Å; T459-F462 PolarHBondContact O-N 3.07Å; V460-F462 PolarHBondContact O-N 3.29Å; F462-V465 PolarHBondContact O-N 3.23Å; F462-L466 HydrophobicContact CE1-CD1 4.23Å; F462-L466 PolarHBondContact O-N 3.03Å
463	W	91.6	Very high	89.2	Confident	39 Å²	39	55.7 Å²	55.7	15%	0.148	33%	0.326	C	S	.	.	H	α-helix	trans	-69.5	-31	177.9	-84	91	0	0	0	113.3	T459 V460 L461 L466 I467 L526 L529 Y530 V533 F560	T459-W463 PolarHBondContact O-N 3.45Å; V460-W463 PolarHBondContact O-N 3.25Å; L461-W463 PolarHBondContact O-N 3.26Å; W463-L466 HydrophobicContact CE3-CD1 4.28Å; W463-L466 HydrophobicContact CE3-CD2 4.38Å; W463-L466 HydrophobicContact CZ3-CD1 4.41Å; W463-L466 HydrophobicContact CZ3-CD2 4.45Å; W463-L466 WeakPolarHBondContact O-CB 3.24Å; W463-L466 PolarHBondContact O-N 3Å; W463-I467 WeakPolarHBondContact O-CG1 3.37Å; W463-I467 PolarHBondContact O-N 3.3Å; W463-L526 HydrophobicContact CZ3-CD2 4.35Å; W463-L529 HydrophobicContact CH2-CB 4.13Å; W463-Y530 HydrophobicContact CB-CD2 3.88Å; W463-Y530 HydrophobicContact CB-CE2 3.74Å; W463-Y530 AromaticContact CD2-CD2 3.78Å; W463-Y530 HydrophobicContact CD2-CD2 3.78Å; W463-Y530 HydrophobicContact CD2-CE2 4.43Å; W463-Y530 HydrophobicContact CE3-CD2 4.1Å; W463-Y530 AromaticContact CG-CD2 3.68Å; W463-Y530 HydrophobicContact CG-CD2 3.68Å; W463-Y530 AromaticContact CG-CE2 3.85Å; W463-Y530 HydrophobicContact CG-CE2 3.85Å; W463-V533 HydrophobicContact CZ2-CG2 3.82Å; W463-F560 HydrophobicContact CB-CD2 4.12Å; W463-F560 HydrophobicContact CB-CE2 4.14Å; W463-F560 AromaticContact CE3-CE2 3.86Å; W463-F560 HydrophobicContact CE3-CE2 3.86Å; W463-F560 HydrophobicContact CE3-CZ 4.43Å
464	I	90.5	Very high	88.8	Confident	32 Å²	32	53.6 Å²	53.6	16%	0.164	32%	0.316	C	S	.	.	H	α-helix	trans	-63.9	-44.7	170.9	-72.9	168.8	0	0	0	110.7	V460 L461 L466 I467 L468 V563	V460-I464 HydrophobicContact CG1-CD1 3.99Å; V460-I464 WeakPolarHBondContact O-CG1 3.49Å; V460-I464 PolarHBondContact O-N 2.97Å; L461-I464 PolarHBondContact O-N 3.42Å; I464-L466 VanDerWaalsContact C-N 3.3Å; I464-L466 PolarHBondContact O-N 3.24Å; I464-I467 PolarHBondContact O-N 3.47Å; I464-L468 HydrophobicContact CG2-CD1 4.49Å; I464-L468 WeakPolarHBondContact O-CG 3.27Å; I464-L468 PolarHBondContact O-N 3.06Å; I464-V563 HydrophobicContact CG1-CG2 4.31Å; I464-V563 HydrophobicContact CG2-CG1 4.37Å; I464-V563 HydrophobicContact CG2-CG2 4.24Å
465	V	91.4	Very high	88.1	Confident	95 Å²	95	50.7 Å²	50.7	58%	0.576	29%	0.294	S	S	*	.	H	α-helix	trans	-63.3	-36.2	174.9	173.9	0	0	0	0	111.7	L461 F462 L468 A469	L461-V465 WeakPolarHBondContact O-CG2 3.48Å; L461-V465 PolarHBondContact O-N 2.75Å; F462-V465 PolarHBondContact O-N 3.23Å; V465-L468 PolarHBondContact O-N 3.42Å; V465-A469 PolarHBondContact O-N 3.44Å
466	L	90	Very high	87.5	Confident	58 Å²	58	50 Å²	50	30%	0.304	29%	0.29	S	S	.	.	H	α-helix	trans	-62.5	-41.4	174.8	-170	157.5	0	0	0	112.1	F462 W463 I464 A469 S470 L526	F462-L466 HydrophobicContact CE1-CD1 4.23Å; F462-L466 PolarHBondContact O-N 3.03Å; W463-L466 HydrophobicContact CE3-CD1 4.28Å; W463-L466 HydrophobicContact CE3-CD2 4.38Å; W463-L466 HydrophobicContact CZ3-CD1 4.41Å; W463-L466 HydrophobicContact CZ3-CD2 4.45Å; W463-L466 WeakPolarHBondContact O-CB 3.24Å; W463-L466 PolarHBondContact O-N 3Å; I464-L466 VanDerWaalsContact C-N 3.3Å; I464-L466 PolarHBondContact O-N 3.24Å; L466-A469 PolarHBondContact O-N 3.04Å; L466-S470 PolarHBondContact O-N 2.9Å; L466-L526 HydrophobicContact CD2-CD2 3.93Å
467	I	89.1	Confident	87.1	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-48.1	171.7	-64.5	160.7	0	0	0	110.4	W463 I464 A469 S470 I471 F560 V563 N564	W463-I467 WeakPolarHBondContact O-CG1 3.37Å; W463-I467 PolarHBondContact O-N 3.3Å; I464-I467 PolarHBondContact O-N 3.47Å; I467-A469 PolarHBondContact O-N 3.19Å; I467-S470 PolarHBondContact O-N 3.42Å; I467-S470 PolarHBondContact O-OG 3.13Å; I467-I471 HydrophobicContact CG2-CD1 4.22Å; I467-I471 HydrophobicContact CG2-CG1 4.46Å; I467-I471 WeakPolarHBondContact O-CG1 3.29Å; I467-I471 PolarHBondContact O-N 2.95Å; I467-I471 VanDerWaalsContact O-N 3.1Å; I467-F560 HydrophobicContact CD1-CD2 3.53Å; I467-F560 HydrophobicContact CD1-CE1 4.42Å; I467-F560 HydrophobicContact CD1-CE2 3.39Å; I467-F560 HydrophobicContact CD1-CG 4.12Å; I467-F560 HydrophobicContact CD1-CZ 3.88Å; I467-F560 HydrophobicContact CG1-CD2 4.46Å; I467-F560 HydrophobicContact CG1-CE2 3.88Å; I467-F560 HydrophobicContact CG1-CZ 4.24Å; I467-V563 HydrophobicContact CB-CG1 4.18Å; I467-V563 HydrophobicContact CD1-CB 4.21Å; I467-V563 HydrophobicContact CD1-CG1 4.15Å; I467-V563 HydrophobicContact CG2-CG1 3.89Å; I467-N564 HydrophobicContact CD1-CB 3.91Å; I467-N564 HydrophobicContact CG1-CB 4.49Å
468	L	87.7	Confident	86.4	Confident	87 Å²	87	50.9 Å²	50.9	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-36	-179.7	-65.3	175.4	0	0	0	112	I464 V465 I471 V472 V563	I464-L468 HydrophobicContact CG2-CD1 4.49Å; I464-L468 WeakPolarHBondContact O-CG 3.27Å; I464-L468 PolarHBondContact O-N 3.06Å; V465-L468 PolarHBondContact O-N 3.42Å; L468-I471 HydrophobicContact CD2-CD1 4.11Å; L468-V472 WeakPolarHBondContact O-CG2 3.46Å; L468-V472 PolarHBondContact O-N 3.45Å; L468-V563 HydrophobicContact CD2-CG1 4.39Å
469	A	87.9	Confident	85.4	Confident	60 Å²	60	49.3 Å²	49.3	50%	0.496	27%	0.27	S	S	.	.	H	α-helix	trans	-68.6	-35.8	172.8	0	0	0	0	0	113.6	V465 L466 I467 V472 A473	V465-A469 PolarHBondContact O-N 3.44Å; L466-A469 PolarHBondContact O-N 3.04Å; I467-A469 PolarHBondContact O-N 3.19Å; A469-V472 PolarHBondContact O-N 3.18Å; A469-A473 PolarHBondContact O-N 3.37Å
470	S	85.5	Confident	84.7	Confident	24 Å²	24	49.9 Å²	49.9	17%	0.168	28%	0.278	C	S	.	.	H	α-helix	trans	-68.4	-35.6	178	78.1	0	0	0	0	112.2	L466 I467 A473 I474	L466-S470 PolarHBondContact O-N 2.9Å; I467-S470 PolarHBondContact O-N 3.42Å; I467-S470 PolarHBondContact O-OG 3.13Å; S470-A473 WeakPolarHBondContact O-CB 3.49Å; S470-A473 PolarHBondContact O-N 3.38Å; S470-I474 WeakPolarHBondContact O-CG1 3.3Å; S470-I474 PolarHBondContact O-N 3.47Å
471	I	81.9	Confident	83.9	Confident	18 Å²	18	51.3 Å²	51.3	9%	0.092	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-44.9	172.8	-54.4	159.9	0	0	0	110.6	I467 L468 A473 I474 I475 S567	I467-I471 HydrophobicContact CG2-CD1 4.22Å; I467-I471 HydrophobicContact CG2-CG1 4.46Å; I467-I471 WeakPolarHBondContact O-CG1 3.29Å; I467-I471 PolarHBondContact O-N 2.95Å; I467-I471 VanDerWaalsContact O-N 3.1Å; L468-I471 HydrophobicContact CD2-CD1 4.11Å; I471-A473 VanDerWaalsContact C-N 3.27Å; I471-A473 PolarHBondContact O-N 3.4Å; I471-I474 CarbonylContact O-C 3.53Å; I471-I474 PolarHBondContact O-N 2.95Å; I471-I475 HydrophobicContact CG2-CD1 3.93Å; I471-I475 HydrophobicContact CG2-CG1 4.47Å; I471-I475 WeakPolarHBondContact O-CG1 3.21Å; I471-I475 PolarHBondContact O-N 2.88Å; I471-S567 WeakPolarHBondContact CD1-OG 3.23Å
472	V	82.5	Confident	82.9	Confident	79 Å²	79	48 Å²	48	48%	0.479	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-38.7	176.5	173	0	0	0	0	110.9	L468 A469 I475 I476	L468-V472 WeakPolarHBondContact O-CG2 3.46Å; L468-V472 PolarHBondContact O-N 3.45Å; A469-V472 PolarHBondContact O-N 3.18Å; V472-I475 PolarHBondContact O-N 2.89Å; V472-I476 HydrophobicContact CG1-CD1 4.05Å; V472-I476 VanDerWaalsContact O-CG1 3.3Å; V472-I476 WeakPolarHBondContact O-CG1 3.22Å; V472-I476 PolarHBondContact O-N 3.33Å
473	A	82.9	Confident	81.8	Confident	58 Å²	58	43.5 Å²	43.5	48%	0.479	25%	0.248	S	C	.	.	H	α-helix	trans	-64.7	-38.2	172.5	0	0	0	0	0	112.9	A469 S470 I471 I476 Y477	A469-A473 PolarHBondContact O-N 3.37Å; S470-A473 WeakPolarHBondContact O-CB 3.49Å; S470-A473 PolarHBondContact O-N 3.38Å; I471-A473 VanDerWaalsContact C-N 3.27Å; I471-A473 PolarHBondContact O-N 3.4Å; A473-I476 PolarHBondContact O-N 3.32Å; A473-Y477 WeakPolarHBondContact O-CB 3.46Å; A473-Y477 PolarHBondContact O-N 3.48Å
474	I	79.8	Confident	80.8	Confident	23 Å²	23	44.1 Å²	44.1	12%	0.118	26%	0.259	C	S	.	.	H	α-helix	trans	-67.8	-36.3	175.6	-69.2	164.2	0	0	0	111.6	S470 I471 Y477 R478 N519 V522	S470-I474 WeakPolarHBondContact O-CG1 3.3Å; S470-I474 PolarHBondContact O-N 3.47Å; I471-I474 CarbonylContact O-C 3.53Å; I471-I474 PolarHBondContact O-N 2.95Å; I474-Y477 WeakPolarHBondContact O-CB 3.43Å; I474-Y477 PolarHBondContact O-N 3.03Å; I474-R478 PolarHBondContact O-N 3.35Å; I474-N519 HydrophobicContact CD1-CB 4.13Å; I474-N519 WeakPolarHBondContact CD1-OD1 3.05Å; I474-V522 HydrophobicContact CD1-CB 4.49Å; I474-V522 HydrophobicContact CD1-CG1 4.44Å
475	I	76.1	Confident	79.7	Confident	18 Å²	18	45 Å²	45	9%	0.092	26%	0.264	C	S	.	.	H	α-helix	trans	-65.2	-45.4	173.2	-66.4	158.2	0	0	0	110.4	I471 V472 Y477 R478 L479 Y571	I471-I475 HydrophobicContact CG2-CD1 3.93Å; I471-I475 HydrophobicContact CG2-CG1 4.47Å; I471-I475 WeakPolarHBondContact O-CG1 3.21Å; I471-I475 PolarHBondContact O-N 2.88Å; V472-I475 PolarHBondContact O-N 2.89Å; I475-Y477 VanDerWaalsContact C-N 3.27Å; I475-Y477 PolarHBondContact O-N 2.96Å; I475-R478 PolarHBondContact O-N 3.3Å; I475-L479 HydrophobicContact CG2-CD1 4.1Å; I475-L479 WeakPolarHBondContact O-CG 3.09Å; I475-L479 PolarHBondContact O-N 2.91Å; I475-Y571 HydrophobicContact CD1-CD1 4.04Å; I475-Y571 HydrophobicContact CD1-CD2 3.76Å; I475-Y571 HydrophobicContact CD1-CE1 3.73Å; I475-Y571 HydrophobicContact CD1-CE2 3.44Å; I475-Y571 VanDerWaalsContact CD1-CE2 3.44Å; I475-Y571 HydrophobicContact CD1-CG 4.06Å; I475-Y571 VanDerWaalsContact CD1-CZ 3.43Å; I475-Y571 HydrophobicContact CG1-CD1 4.36Å; I475-Y571 HydrophobicContact CG1-CE1 3.86Å; I475-Y571 HydrophobicContact CG1-CE2 4.4Å
476	I	79.3	Confident	78.5	Confident	46 Å²	46	41.6 Å²	41.6	24%	0.236	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-37.8	175	-67.7	164.9	0	0	0	110.9	V472 A473 A480 L590 Y593	V472-I476 HydrophobicContact CG1-CD1 4.05Å; V472-I476 VanDerWaalsContact O-CG1 3.3Å; V472-I476 WeakPolarHBondContact O-CG1 3.22Å; V472-I476 PolarHBondContact O-N 3.33Å; A473-I476 PolarHBondContact O-N 3.32Å; I476-A480 VanDerWaalsContact O-CB 3.31Å; I476-A480 WeakPolarHBondContact O-CB 3.41Å; I476-A480 PolarHBondContact O-N 3.31Å; I476-L590 HydrophobicContact CD1-CD1 4.24Å; I476-Y593 HydrophobicContact CG2-CE2 4.49Å
477	Y	82.1	Confident	77.3	Confident	90 Å²	90	42.6 Å²	42.6	35%	0.353	25%	0.249	S	C	.	.	H	α-helix	trans	-63.5	-48.3	172	170.3	-92	0	0	0	112.4	A473 I474 I475 L479 A480 V481 I518	A473-Y477 WeakPolarHBondContact O-CB 3.46Å; A473-Y477 PolarHBondContact O-N 3.48Å; I474-Y477 WeakPolarHBondContact O-CB 3.43Å; I474-Y477 PolarHBondContact O-N 3.03Å; I475-Y477 VanDerWaalsContact C-N 3.27Å; I475-Y477 PolarHBondContact O-N 2.96Å; Y477-L479 VanDerWaalsContact C-N 3.34Å; Y477-L479 PolarHBondContact O-N 3.33Å; Y477-A480 PolarHBondContact O-N 2.72Å; Y477-A480 VanDerWaalsContact O-N 3.14Å; Y477-V481 HydrophobicContact CD1-CG2 4.35Å; Y477-V481 HydrophobicContact CD2-CG2 4.08Å; Y477-V481 HydrophobicContact CE1-CG2 3.88Å; Y477-V481 HydrophobicContact CE2-CG2 3.59Å; Y477-V481 HydrophobicContact CG-CG2 4.43Å; Y477-V481 VanDerWaalsContact CZ-CG2 3.47Å; Y477-V481 WeakPolarHBondContact O-CG2 3.48Å; Y477-V481 PolarHBondContact O-N 2.9Å; Y477-I518 HydrophobicContact CE1-CD1 3.54Å; Y477-I518 HydrophobicContact CE2-CD1 4.3Å; Y477-I518 VanDerWaalsContact CZ-CD1 3.41Å; Y477-I518 WeakPolarHBondContact OH-CD1 3.26Å
478	R	75.7	Confident	76.1	Confident	28 Å²	28	49.7 Å²	49.7	11%	0.106	28%	0.279	C	S	.	.	H	α-helix	trans	-58.1	-45.7	179.4	-171	175.6	-174.6	-154.4	15.6	111.2	I474 I475 F482 S512 A515 E596 E606	I474-R478 PolarHBondContact O-N 3.35Å; I475-R478 PolarHBondContact O-N 3.3Å; R478-F482 VanDerWaalsContact O-CB 3.29Å; R478-F482 WeakPolarHBondContact O-CB 3.28Å; R478-F482 PolarHBondContact O-N 2.78Å; R478-S512 PolarHBondContact NH2-OG 2.87Å; R478-A515 HydrophobicContact CB-CB 4.28Å; R478-A515 HydrophobicContact CG-CB 4.19Å; R478-E596 WeakPolarHBondContact CD-OE1 3.37Å; R478-E596 WeakPolarHBondContact CG-OE1 3.37Å; R478-E596 IonicContact CZ-OE2 3.93Å; R478-E596 IonicContact NE-OE1 2.69Å; R478-E596 IonicContact NE-OE2 3.21Å; R478-E596 IonicContact NH1-OE1 2.82Å; R478-E596 IonicContact NH1-OE2 3.92Å; R478-E596 PolarHBondContact NH1-OE2 3.5Å; R478-E606 IonicContact CZ-OE2 2.86Å; R478-E606 IonicContact NH1-OE2 3.49Å; R478-E606 PolarHBondContact NH1-OE2 2.94Å; R478-E606 VanDerWaalsContact NH1-OE2 3.08Å; R478-E606 IonicContact NH2-OE2 3.08Å; R478-E606 PolarHBondContact NH2-OE2 3.43Å
479	L	73.1	Confident	74.7	Confident	8 Å²	8	49 Å²	49	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-58	-51.5	171.9	-74.2	166	0	0	0	111.8	I475 Y477 V481 F482 F483 R594 E596	I475-L479 HydrophobicContact CG2-CD1 4.1Å; I475-L479 WeakPolarHBondContact O-CG 3.09Å; I475-L479 PolarHBondContact O-N 2.91Å; Y477-L479 VanDerWaalsContact C-N 3.34Å; Y477-L479 PolarHBondContact O-N 3.33Å; L479-V481 PolarHBondContact O-N 2.83Å; L479-F482 PolarHBondContact O-N 3.35Å; L479-F483 WeakPolarHBondContact O-CD2 3.37Å; L479-F483 PolarHBondContact O-N 3.06Å; L479-R594 WeakPolarHBondContact CD2-O 3.4Å; L479-E596 HydrophobicContact CD2-CG 3.62Å; L479-E596 HydrophobicContact CG-CG 4.07Å
480	A	75.3	Confident	73.3	Confident	46 Å²	46	49.9 Å²	49.9	38%	0.38	27%	0.268	S	S	.	.	H	α-helix	trans	-62	-39.9	-178.2	0	0	0	0	0	113.1	I476 Y477 S484	I476-A480 VanDerWaalsContact O-CB 3.31Å; I476-A480 WeakPolarHBondContact O-CB 3.41Å; I476-A480 PolarHBondContact O-N 3.31Å; Y477-A480 PolarHBondContact O-N 2.72Å; Y477-A480 VanDerWaalsContact O-N 3.14Å; A480-S484 WeakPolarHBondContact O-CB 3.34Å; A480-S484 PolarHBondContact O-N 2.81Å
481	V	74.6	Confident	71.9	Confident	40 Å²	40	54 Å²	54	24%	0.242	29%	0.288	C	S	.	.	H	α-helix	trans	-69.8	-40.2	174.9	-179.8	0	0	0	0	111.1	Y477 L479 F483 S484 L485 T511	Y477-V481 HydrophobicContact CD1-CG2 4.35Å; Y477-V481 HydrophobicContact CD2-CG2 4.08Å; Y477-V481 HydrophobicContact CE1-CG2 3.88Å; Y477-V481 HydrophobicContact CE2-CG2 3.59Å; Y477-V481 HydrophobicContact CG-CG2 4.43Å; Y477-V481 VanDerWaalsContact CZ-CG2 3.47Å; Y477-V481 WeakPolarHBondContact O-CG2 3.48Å; Y477-V481 PolarHBondContact O-N 2.9Å; L479-V481 PolarHBondContact O-N 2.83Å; V481-F483 PolarHBondContact O-N 3.18Å; V481-S484 PolarHBondContact O-N 2.69Å; V481-L485 VanDerWaalsContact O-CB 3.3Å; V481-L485 WeakPolarHBondContact O-CB 3.24Å; V481-L485 PolarHBondContact O-N 2.73Å; V481-T511 HydrophobicContact CB-CG2 4.31Å; V481-T511 HydrophobicContact CG1-CG2 3.96Å
482	F	71.4	Confident	70.3	Confident	30 Å²	30	58 Å²	58	13%	0.132	32%	0.316	C	S	.	.	H	α-helix	trans	-59.8	-45.3	176.3	-179.9	-108.1	0	0	0	112.4	C352 R478 L479 S486 P507 Q508 T511	C352-F482 HydrophobicContact CB-CE1 3.95Å; R478-F482 VanDerWaalsContact O-CB 3.29Å; R478-F482 WeakPolarHBondContact O-CB 3.28Å; R478-F482 PolarHBondContact O-N 2.78Å; L479-F482 PolarHBondContact O-N 3.35Å; F482-S486 WeakPolarHBondContact O-CB 3.47Å; F482-S486 PolarHBondContact O-N 2.92Å; F482-S486 PolarHBondContact O-OG 2.82Å; F482-P507 HydrophobicContact CD2-CB 4.46Å; F482-P507 HydrophobicContact CE2-CB 4.2Å; F482-Q508 HydrophobicContact CD2-CG 4.38Å; F482-Q508 HydrophobicContact CE2-CG 3.7Å; F482-Q508 HydrophobicContact CZ-CG 4.44Å; F482-T511 HydrophobicContact CB-CG2 3.96Å; F482-T511 HydrophobicContact CD2-CG2 4.4Å
483	F	69.7	Low	68.8	Low	34 Å²	34	57.6 Å²	57.6	15%	0.149	33%	0.327	C	S	.	.	H	α-helix	trans	-62.4	-46.6	172.3	-77.8	-67.3	0	0	0	111.7	C352 L479 V481 L485 S486 I487	C352-F483 HydrophobicContact CB-CE1 3.77Å; C352-F483 HydrophobicContact CB-CZ 4.11Å; L479-F483 WeakPolarHBondContact O-CD2 3.37Å; L479-F483 PolarHBondContact O-N 3.06Å; V481-F483 PolarHBondContact O-N 3.18Å; F483-L485 PolarHBondContact O-N 3.47Å; F483-S486 PolarHBondContact O-N 3.37Å; F483-I487 WeakPolarHBondContact O-CD1 3.49Å; F483-I487 VanDerWaalsContact O-CG1 3.24Å; F483-I487 WeakPolarHBondContact O-CG1 3.48Å; F483-I487 PolarHBondContact O-N 2.81Å
484	S	71.3	Confident	67.1	Low	52 Å²	52	62 Å²	62	36%	0.364	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-40.5	-179.7	-168.1	0	0	0	0	113	A480 V481 K488	A480-S484 WeakPolarHBondContact O-CB 3.34Å; A480-S484 PolarHBondContact O-N 2.81Å; V481-S484 PolarHBondContact O-N 2.69Å; S484-K488 WeakPolarHBondContact O-CG 3.44Å; S484-K488 PolarHBondContact O-N 3.06Å; S484-K488 VanDerWaalsContact O-N 3.09Å
485	L	67.2	Low	65.4	Low	51 Å²	51	67.9 Å²	67.9	27%	0.267	37%	0.368	S	S	.	.	H	α-helix	trans	-69.8	-42.8	178.8	-175.6	56.5	0	0	0	111.4	V481 F483 K488 L489 P507 A510	V481-L485 VanDerWaalsContact O-CB 3.3Å; V481-L485 WeakPolarHBondContact O-CB 3.24Å; V481-L485 PolarHBondContact O-N 2.73Å; F483-L485 PolarHBondContact O-N 3.47Å; L485-K488 PolarHBondContact O-N 3.4Å; L485-L489 HydrophobicContact CD1-CD1 4.27Å; L485-L489 HydrophobicContact CG-CD1 4.1Å; L485-L489 WeakPolarHBondContact O-CG 3.14Å; L485-L489 PolarHBondContact O-N 2.78Å; L485-P507 HydrophobicContact CD2-CB 3.97Å; L485-P507 HydrophobicContact CG-CB 4.29Å; L485-A510 HydrophobicContact CD2-CB 3.91Å
486	S	65.1	Low	64	Low	22 Å²	22	72.5 Å²	72.5	15%	0.154	40%	0.397	C	S	.	.	H	α-helix	trans	-62.1	-42.8	176.2	-58	0	0	0	0	112.1	F482 F483 L489 K490	F482-S486 WeakPolarHBondContact O-CB 3.47Å; F482-S486 PolarHBondContact O-N 2.92Å; F482-S486 PolarHBondContact O-OG 2.82Å; F483-S486 PolarHBondContact O-N 3.37Å; S486-L489 PolarHBondContact O-N 3.01Å; S486-K490 PolarHBondContact O-N 3.35Å
487	I	64.9	Low	62.5	Low	80 Å²	80	75.3 Å²	75.3	41%	0.41	42%	0.417	S	S	.	.	H	α-helix	trans	-62.6	-42.5	174.8	-67.8	163.1	0	0	0	111.2	L354 F483 K490	L354-I487 HydrophobicContact CD1-CD1 3.82Å; L354-I487 HydrophobicContact CD1-CG1 3.93Å; F483-I487 WeakPolarHBondContact O-CD1 3.49Å; F483-I487 VanDerWaalsContact O-CG1 3.24Å; F483-I487 WeakPolarHBondContact O-CG1 3.48Å; F483-I487 PolarHBondContact O-N 2.81Å; I487-K490 PolarHBondContact O-N 3.17Å
488	K	63.7	Low	60.8	Low	149 Å²	149	75.3 Å²	75.3	65%	0.648	42%	0.422	S	S	*	.	H	α-helix	trans	-65.9	-38.2	178.3	-76.6	172.9	178.6	177.1	0	112.7	S484 L485 K490 N491	S484-K488 WeakPolarHBondContact O-CG 3.44Å; S484-K488 PolarHBondContact O-N 3.06Å; S484-K488 VanDerWaalsContact O-N 3.09Å; L485-K488 PolarHBondContact O-N 3.4Å; K488-K490 VanDerWaalsContact C-N 3.27Å; K488-K490 PolarHBondContact O-N 3.01Å; K488-N491 PolarHBondContact O-N 2.93Å
489	L	59.8	Low	59.5	Low	73 Å²	73	80.7 Å²	80.7	38%	0.382	45%	0.449	S	S	.	.	H	α-helix	trans	-67.9	-25.6	176.9	-78.2	162	0	0	0	113.4	L485 S486 K502 P507	L485-L489 HydrophobicContact CD1-CD1 4.27Å; L485-L489 HydrophobicContact CG-CD1 4.1Å; L485-L489 WeakPolarHBondContact O-CG 3.14Å; L485-L489 PolarHBondContact O-N 2.78Å; S486-L489 PolarHBondContact O-N 3.01Å; L489-K502 HydrophobicContact CD2-CG 4.41Å; L489-P507 HydrophobicContact CD1-CB 4.33Å; L489-P507 HydrophobicContact CD1-CG 3.55Å
490	K	56.7	Low	58.3	Low	78 Å²	78	85.7 Å²	85.7	34%	0.339	48%	0.482	S	S	.	.	H	α-helix	trans	-74	-24.3	176.3	-169.3	166.9	-177.2	162.4	0	113.7	S486 I487 K488 P492 A798	S486-K490 PolarHBondContact O-N 3.35Å; I487-K490 PolarHBondContact O-N 3.17Å; K488-K490 VanDerWaalsContact C-N 3.27Å; K488-K490 PolarHBondContact O-N 3.01Å; K490-P492 WeakPolarHBondContact O-CD 3.15Å; K490-A798 PolarHBondContact NZ-O 3.22Å
491	N	56.6	Low	56.8	Low	110 Å²	110	88 Å²	88	59%	0.588	49%	0.487	S	S	*	.			trans	-111.6	83.5	-176.1	-71.9	-6.9	0	0	0	111.5	K488 G493	K488-N491 PolarHBondContact O-N 2.93Å; N491-G493 PolarHBondContact O-N 3.14Å; N491-G493 VanDerWaalsContact O-N 3.13Å
492	P	49.1	Very low	55.5	Low	103 Å²	103	92.6 Å²	92.6	67%	0.669	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-67.6	-13.4	-171.2	26.5	-36	0	0	0	115.6	K490 N494	K490-P492 WeakPolarHBondContact O-CD 3.15Å; P492-N494 VanDerWaalsContact C-N 3.28Å; P492-N494 PolarHBondContact O-N 3.33Å; P492-N494 VanDerWaalsContact O-N 3.12Å
493	G	50.6	Low	54.3	Low	70 Å²	70	99.9 Å²	99.9	72%	0.722	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-67.4	-11.7	-168.3	0	0	0	0	0	117.5	N491	N491-G493 PolarHBondContact O-N 3.14Å; N491-G493 VanDerWaalsContact O-N 3.13Å
494	N	46.8	Very low	53.1	Low	152 Å²	152	108 Å²	108	81%	0.813	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-115.5	-1.2	-167.7	-77.4	-0.7	0	0	0	116.2	P492	P492-N494 VanDerWaalsContact C-N 3.28Å; P492-N494 PolarHBondContact O-N 3.33Å; P492-N494 VanDerWaalsContact O-N 3.12Å
495	F	45.4	Very low	52.1	Low	145 Å²	145	108.8 Å²	108.8	64%	0.636	57%	0.571	S	S	*	*			trans	-146.8	79.9	-176.1	-107.2	-85.9	0	0	0	113.5	T497 L498	F495-T497 WeakPolarHBondContact CD1-OG1 3.46Å; F495-T497 PolarHBondContact O-N 3.18Å; F495-L498 HydrophobicContact CD1-CD1 3.98Å; F495-L498 HydrophobicContact CE1-CD1 4.16Å
496	T	45.4	Very low	51.7	Low	115 Å²	115	109.7 Å²	109.7	71%	0.706	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	2.3	174.9	48.6	0	0	0	0	114.3
497	T	47.8	Very low	51.5	Low	106 Å²	106	110.5 Å²	110.5	65%	0.65	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	4.2	-172.8	50.2	0	0	0	0	114.7	F495	F495-T497 WeakPolarHBondContact CD1-OG1 3.46Å; F495-T497 PolarHBondContact O-N 3.18Å
498	L	46.7	Very low	51.3	Low	89 Å²	89	109.9 Å²	109.9	47%	0.466	58%	0.579	S	S	.	*			trans	-129.5	11.2	-173	-93.5	162.7	0	0	0	114.7	F495 L501	F495-L498 HydrophobicContact CD1-CD1 3.98Å; F495-L498 HydrophobicContact CE1-CD1 4.16Å; L498-L501 HydrophobicContact CD2-CB 4.03Å; L498-L501 HydrophobicContact CD2-CD1 3.64Å; L498-L501 HydrophobicContact CD2-CG 4.45Å; L498-L501 PolarHBondContact O-N 3.27Å; L498-L501 VanDerWaalsContact O-N 3.16Å
499	E	48.6	Very low	51.3	Low	142 Å²	142	106.4 Å²	106.4	66%	0.664	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-50.6	-47.1	175.7	-59.9	-170.4	144.8	0	0	114.4	L501 K502	E499-L501 PolarHBondContact O-N 3.11Å; E499-K502 WeakPolarHBondContact O-CB 3.35Å; E499-K502 PolarHBondContact O-N 3.37Å; E499-K502 VanDerWaalsContact O-N 3.16Å
500	P	47.2	Very low	51.6	Low	113 Å²	113	104 Å²	104	73%	0.734	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-71.2	-1.8	-178	29.4	-37.1	0	0	0	115.2
501	L	43.5	Very low	52.3	Low	94 Å²	94	100.6 Å²	100.6	49%	0.492	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-107.3	-8.9	174.3	-85.2	164.3	0	0	0	113.4	L498 E499 E503 Y504 V505	L498-L501 HydrophobicContact CD2-CB 4.03Å; L498-L501 HydrophobicContact CD2-CD1 3.64Å; L498-L501 HydrophobicContact CD2-CG 4.45Å; L498-L501 PolarHBondContact O-N 3.27Å; L498-L501 VanDerWaalsContact O-N 3.16Å; E499-L501 PolarHBondContact O-N 3.11Å; L501-E503 PolarHBondContact O-N 3.18Å; L501-Y504 PolarHBondContact O-N 3.1Å; L501-V505 HydrophobicContact CD2-CG2 3.97Å; L501-V505 WeakPolarHBondContact O-CB 3.4Å; L501-V505 PolarHBondContact O-N 2.8Å
502	K	47.5	Very low	53	Low	137 Å²	137	96.1 Å²	96.1	60%	0.596	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-23.9	-177.3	-161.6	177.5	-176.3	-178.7	0	113.3	L489 E499	L489-K502 HydrophobicContact CD2-CG 4.41Å; E499-K502 WeakPolarHBondContact O-CB 3.35Å; E499-K502 PolarHBondContact O-N 3.37Å; E499-K502 VanDerWaalsContact O-N 3.16Å
503	E	46.1	Very low	54.1	Low	182 Å²	182	94.5 Å²	94.5	85%	0.85	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-29.7	-179.9	-168.3	167.3	-148.4	0	0	112.8	L501	L501-E503 PolarHBondContact O-N 3.18Å
504	Y	44.2	Very low	55.5	Low	205 Å²	205	94 Å²	94	80%	0.804	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-14.6	-177.6	-100.2	-91.9	0	0	0	114.9	L501	L501-Y504 PolarHBondContact O-N 3.1Å
505	V	50.4	Low	56.8	Low	68 Å²	68	87 Å²	87	41%	0.412	46%	0.455	S	S	.	.			trans	-123.7	92	-171	-175.9	0	0	0	0	110.7	L501 A510	L501-V505 HydrophobicContact CD2-CG2 3.97Å; L501-V505 WeakPolarHBondContact O-CB 3.4Å; L501-V505 PolarHBondContact O-N 2.8Å; V505-A510 HydrophobicContact CG1-CB 3.76Å
506	T	58.8	Low	58.1	Low	71 Å²	71	80.2 Å²	80.2	44%	0.436	43%	0.425	S	S	.	.			trans	-66.2	148.6	170.7	74.3	0	0	0	0	110.4	Q508 M509 A510	T506-Q508 PolarHBondContact O-N 3.03Å; T506-Q508 VanDerWaalsContact O-N 3.15Å; T506-M509 PolarHBondContact O-N 3.36Å; T506-M509 WeakPolarHBondContact OG1-CB 3.34Å; T506-M509 WeakPolarHBondContact OG1-CG 3.41Å; T506-M509 PolarHBondContact OG1-N 2.8Å; T506-A510 PolarHBondContact O-N 2.93Å
507	P	62	Low	59.7	Low	39 Å²	39	79.5 Å²	79.5	25%	0.253	42%	0.417	S	S	.	.	H	α-helix	trans	-59.8	-31	-178.1	-24.4	35.1	0	0	0	112.9	F482 L485 L489 T511	F482-P507 HydrophobicContact CD2-CB 4.46Å; F482-P507 HydrophobicContact CE2-CB 4.2Å; L485-P507 HydrophobicContact CD2-CB 3.97Å; L485-P507 HydrophobicContact CG-CB 4.29Å; L489-P507 HydrophobicContact CD1-CB 4.33Å; L489-P507 HydrophobicContact CD1-CG 3.55Å; P507-T511 WeakPolarHBondContact O-CG2 3.26Å; P507-T511 PolarHBondContact O-N 2.59Å; P507-T511 VanDerWaalsContact O-N 3.13Å; P507-T511 PolarHBondContact O-OG1 3.13Å
508	Q	60.5	Low	61.4	Low	66 Å²	66	77.5 Å²	77.5	31%	0.308	40%	0.402	S	S	.	.	H	α-helix	trans	-77.3	-38.2	-179.1	-67.7	167.6	-34.9	0	0	112	F482 T506 T511 S512	F482-Q508 HydrophobicContact CD2-CG 4.38Å; F482-Q508 HydrophobicContact CE2-CG 3.7Å; F482-Q508 HydrophobicContact CZ-CG 4.44Å; T506-Q508 PolarHBondContact O-N 3.03Å; T506-Q508 VanDerWaalsContact O-N 3.15Å; Q508-T511 PolarHBondContact O-OG1 3.32Å; Q508-S512 VanDerWaalsContact O-CB 3.28Å; Q508-S512 WeakPolarHBondContact O-CB 3.32Å; Q508-S512 PolarHBondContact O-N 2.85Å; Q508-S512 PolarHBondContact O-OG 3.26Å
509	M	63.7	Low	63	Low	76 Å²	76	73.7 Å²	73.7	37%	0.374	38%	0.382	S	S	.	.	H	α-helix	trans	-66.6	-41.9	171.7	-72	-64.3	106.3	0	0	111	T506 T511 S512 V513	T506-M509 PolarHBondContact O-N 3.36Å; T506-M509 WeakPolarHBondContact OG1-CB 3.34Å; T506-M509 WeakPolarHBondContact OG1-CG 3.41Å; T506-M509 PolarHBondContact OG1-N 2.8Å; M509-T511 PolarHBondContact O-N 3.37Å; M509-S512 PolarHBondContact O-N 3.39Å; M509-V513 WeakPolarHBondContact O-CG2 3.39Å; M509-V513 PolarHBondContact O-N 2.72Å
510	A	66.8	Low	64.4	Low	24 Å²	24	68.3 Å²	68.3	20%	0.198	36%	0.356	C	S	.	.	H	α-helix	trans	-58.5	-48.3	176.9	0	0	0	0	0	113	L485 V505 T506 T514	L485-A510 HydrophobicContact CD2-CB 3.91Å; V505-A510 HydrophobicContact CG1-CB 3.76Å; T506-A510 PolarHBondContact O-N 2.93Å; A510-T514 WeakPolarHBondContact O-CB 3.5Å; A510-T514 WeakPolarHBondContact O-CG2 3.4Å; A510-T514 PolarHBondContact O-N 3.48Å; A510-T514 VanDerWaalsContact O-N 3.09Å; A510-T514 PolarHBondContact O-OG1 3.35Å
511	T	71.2	Confident	66.1	Low	5 Å²	5	67 Å²	67	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-70	-33.1	178.8	55.2	0	0	0	0	112.2	V481 F482 P507 Q508 M509 T514 A515	V481-T511 HydrophobicContact CB-CG2 4.31Å; V481-T511 HydrophobicContact CG1-CG2 3.96Å; F482-T511 HydrophobicContact CB-CG2 3.96Å; F482-T511 HydrophobicContact CD2-CG2 4.4Å; P507-T511 WeakPolarHBondContact O-CG2 3.26Å; P507-T511 PolarHBondContact O-N 2.59Å; P507-T511 VanDerWaalsContact O-N 3.13Å; P507-T511 PolarHBondContact O-OG1 3.13Å; Q508-T511 PolarHBondContact O-OG1 3.32Å; M509-T511 PolarHBondContact O-N 3.37Å; T511-T514 WeakPolarHBondContact CA-OG1 3.42Å; T511-T514 PolarHBondContact O-OG1 2.69Å; T511-A515 WeakPolarHBondContact O-CB 3.47Å; T511-A515 PolarHBondContact O-N 2.73Å
512	S	70.1	Confident	68.1	Low	16 Å²	16	64.5 Å²	64.5	11%	0.112	33%	0.334	C	S	.	.	H	α-helix	trans	-66.2	-50.9	177	-56.9	0	0	0	0	111.7	R478 Q508 M509 G516	R478-S512 PolarHBondContact NH2-OG 2.87Å; Q508-S512 VanDerWaalsContact O-CB 3.28Å; Q508-S512 WeakPolarHBondContact O-CB 3.32Å; Q508-S512 PolarHBondContact O-N 2.85Å; Q508-S512 PolarHBondContact O-OG 3.26Å; M509-S512 PolarHBondContact O-N 3.39Å; S512-G516 PolarHBondContact O-N 2.61Å
513	V	73.3	Confident	69.7	Low	70 Å²	70	58 Å²	58	42%	0.424	31%	0.306	S	S	.	.	H	α-helix	trans	-65.1	-43.5	179.8	174.4	0	0	0	0	111.4	M509 G516 L517	M509-V513 WeakPolarHBondContact O-CG2 3.39Å; M509-V513 PolarHBondContact O-N 2.72Å; V513-G516 PolarHBondContact O-N 2.9Å; V513-L517 HydrophobicContact CG1-CD1 4.14Å; V513-L517 WeakPolarHBondContact O-CG 3.32Å; V513-L517 PolarHBondContact O-N 3.27Å
514	T	78.6	Confident	71.4	Confident	58 Å²	58	51.2 Å²	51.2	36%	0.356	28%	0.275	S	S	.	.	H	α-helix	trans	-68.8	-40.7	179.4	51.7	0	0	0	0	112.8	A510 T511 L517 I518	A510-T514 WeakPolarHBondContact O-CB 3.5Å; A510-T514 WeakPolarHBondContact O-CG2 3.4Å; A510-T514 PolarHBondContact O-N 3.48Å; A510-T514 VanDerWaalsContact O-N 3.09Å; A510-T514 PolarHBondContact O-OG1 3.35Å; T511-T514 WeakPolarHBondContact CA-OG1 3.42Å; T511-T514 PolarHBondContact O-OG1 2.69Å; T514-L517 PolarHBondContact O-N 3.44Å; T514-I518 WeakPolarHBondContact O-CG1 3.5Å; T514-I518 PolarHBondContact O-N 3.13Å
515	A	75.3	Confident	73.5	Confident	7 Å²	7	46.1 Å²	46.1	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-65.8	-38.8	173.4	0	0	0	0	0	112.2	R478 T511 I518 N519	R478-A515 HydrophobicContact CB-CB 4.28Å; R478-A515 HydrophobicContact CG-CB 4.19Å; T511-A515 WeakPolarHBondContact O-CB 3.47Å; T511-A515 PolarHBondContact O-N 2.73Å; A515-I518 PolarHBondContact O-N 2.79Å; A515-N519 WeakPolarHBondContact O-CB 3.33Å; A515-N519 PolarHBondContact O-N 2.99Å
516	G	73	Confident	75.2	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-45.5	175.1	0	0	0	0	0	112.9	S512 V513 N519 F520	S512-G516 PolarHBondContact O-N 2.61Å; V513-G516 PolarHBondContact O-N 2.9Å; G516-N519 PolarHBondContact O-N 3.22Å; G516-F520 PolarHBondContact O-N 3.1Å
517	L	78.8	Confident	76.5	Confident	100 Å²	100	41.2 Å²	41.2	52%	0.524	23%	0.229	S	C	.	.	H	α-helix	trans	-64.1	-42.9	175.7	-71.7	170.1	0	0	0	112.5	V513 T514 F520 V521	V513-L517 HydrophobicContact CG1-CD1 4.14Å; V513-L517 WeakPolarHBondContact O-CG 3.32Å; V513-L517 PolarHBondContact O-N 3.27Å; T514-L517 PolarHBondContact O-N 3.44Å; L517-F520 PolarHBondContact O-N 2.88Å; L517-V521 WeakPolarHBondContact O-CG2 3.45Å; L517-V521 PolarHBondContact O-N 2.85Å; L517-V521 VanDerWaalsContact O-N 3.09Å
518	I	82.8	Confident	77.7	Confident	65 Å²	65	43.5 Å²	43.5	33%	0.333	24%	0.243	S	C	.	.	H	α-helix	trans	-66.6	-41.8	177.6	-71.8	166.4	0	0	0	110.9	Y477 T514 A515 F520 V521 V522	Y477-I518 HydrophobicContact CE1-CD1 3.54Å; Y477-I518 HydrophobicContact CE2-CD1 4.3Å; Y477-I518 VanDerWaalsContact CZ-CD1 3.41Å; Y477-I518 WeakPolarHBondContact OH-CD1 3.26Å; T514-I518 WeakPolarHBondContact O-CG1 3.5Å; T514-I518 PolarHBondContact O-N 3.13Å; A515-I518 PolarHBondContact O-N 2.79Å; I518-F520 VanDerWaalsContact C-N 3.34Å; I518-F520 PolarHBondContact O-N 3.46Å; I518-V521 PolarHBondContact O-N 3.35Å; I518-V522 HydrophobicContact CG2-CG2 4.49Å; I518-V522 WeakPolarHBondContact O-CG2 3.25Å; I518-V522 PolarHBondContact O-N 3.4Å
519	N	80.1	Confident	79.1	Confident	9 Å²	9	44.9 Å²	44.9	5%	0.048	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-45	173.8	-178.7	63.2	0	0	0	111.6	I474 A515 G516 V521 V522 I523	I474-N519 HydrophobicContact CD1-CB 4.13Å; I474-N519 WeakPolarHBondContact CD1-OD1 3.05Å; A515-N519 WeakPolarHBondContact O-CB 3.33Å; A515-N519 PolarHBondContact O-N 2.99Å; G516-N519 PolarHBondContact O-N 3.22Å; N519-V521 PolarHBondContact O-N 3.29Å; N519-V522 PolarHBondContact O-N 2.96Å; N519-I523 WeakPolarHBondContact ND2-CD1 3.48Å; N519-I523 WeakPolarHBondContact O-CB 3.4Å; N519-I523 VanDerWaalsContact O-CG1 3.27Å; N519-I523 WeakPolarHBondContact O-CG1 3.35Å; N519-I523 PolarHBondContact O-N 3.37Å
520	F	79.5	Confident	80.4	Confident	29 Å²	29	41.3 Å²	41.3	13%	0.127	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-44.4	175.4	-179.1	-98.1	0	0	0	112.6	G516 L517 I518 I523 M524 K618 W621	G516-F520 PolarHBondContact O-N 3.1Å; L517-F520 PolarHBondContact O-N 2.88Å; I518-F520 VanDerWaalsContact C-N 3.34Å; I518-F520 PolarHBondContact O-N 3.46Å; F520-I523 PolarHBondContact O-N 2.82Å; F520-M524 HydrophobicContact CE1-CG 4.22Å; F520-M524 HydrophobicContact CZ-CG 4.26Å; F520-M524 WeakPolarHBondContact O-CG 3.47Å; F520-M524 PolarHBondContact O-N 3.07Å; F520-M524 VanDerWaalsContact O-N 3.11Å; F520-K618 HydrophobicContact CE2-CB 4.21Å; F520-W621 HydrophobicContact CZ-CB 4.06Å; F520-W621 HydrophobicContact CZ-CG 4.25Å
521	V	83	Confident	81.4	Confident	84 Å²	84	42.3 Å²	42.3	51%	0.509	23%	0.234	S	C	.	.	H	α-helix	trans	-63.4	-42.4	176.2	173.2	0	0	0	0	111.7	L517 I518 N519 M524 I525	L517-V521 WeakPolarHBondContact O-CG2 3.45Å; L517-V521 PolarHBondContact O-N 2.85Å; L517-V521 VanDerWaalsContact O-N 3.09Å; I518-V521 PolarHBondContact O-N 3.35Å; N519-V521 PolarHBondContact O-N 3.29Å; V521-M524 PolarHBondContact O-N 3.28Å; V521-I525 HydrophobicContact CG1-CD1 4.01Å; V521-I525 WeakPolarHBondContact O-CG1 3.34Å; V521-I525 PolarHBondContact O-N 2.96Å; V521-I525 VanDerWaalsContact O-N 3.16Å
522	V	84.6	Confident	82.3	Confident	42 Å²	42	50.3 Å²	50.3	26%	0.255	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-43.7	176.5	169.9	0	0	0	0	111.4	I474 I518 N519 M524 I525 L526	I474-V522 HydrophobicContact CD1-CB 4.49Å; I474-V522 HydrophobicContact CD1-CG1 4.44Å; I518-V522 HydrophobicContact CG2-CG2 4.49Å; I518-V522 WeakPolarHBondContact O-CG2 3.25Å; I518-V522 PolarHBondContact O-N 3.4Å; N519-V522 PolarHBondContact O-N 2.96Å; V522-M524 PolarHBondContact O-N 3.28Å; V522-I525 PolarHBondContact O-N 3.36Å; V522-L526 HydrophobicContact CG1-CD1 3.75Å; V522-L526 HydrophobicContact CG1-CG 4.26Å; V522-L526 WeakPolarHBondContact O-CB 3.43Å; V522-L526 WeakPolarHBondContact O-CG 3.4Å; V522-L526 PolarHBondContact O-N 3.23Å
523	I	82.1	Confident	83.4	Confident	1 Å²	1	51 Å²	51	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-55.8	-48.9	175.8	-74.8	165.3	0	0	0	110.7	N519 F520 I525 L526 N527 N564 Y565	N519-I523 WeakPolarHBondContact ND2-CD1 3.48Å; N519-I523 WeakPolarHBondContact O-CB 3.4Å; N519-I523 VanDerWaalsContact O-CG1 3.27Å; N519-I523 WeakPolarHBondContact O-CG1 3.35Å; N519-I523 PolarHBondContact O-N 3.37Å; F520-I523 PolarHBondContact O-N 2.82Å; I523-I525 PolarHBondContact O-N 3.48Å; I523-L526 PolarHBondContact O-N 3.12Å; I523-N527 WeakPolarHBondContact O-CB 3.43Å; I523-N527 PolarHBondContact O-N 3.16Å; I523-N527 PolarHBondContact O-OD1 2.85Å; I523-N564 WeakPolarHBondContact CD1-O 3.26Å; I523-N564 PolarHBondContact O-ND2 2.81Å; I523-Y565 HydrophobicContact CG2-CD1 4Å; I523-Y565 HydrophobicContact CG2-CE1 3.63Å
524	M	81.7	Confident	84.3	Confident	40 Å²	40	47.7 Å²	47.7	20%	0.197	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-36.7	-178.5	-67.3	-61.4	-73.2	0	0	113.4	F520 V521 V522 T528	F520-M524 HydrophobicContact CE1-CG 4.22Å; F520-M524 HydrophobicContact CZ-CG 4.26Å; F520-M524 WeakPolarHBondContact O-CG 3.47Å; F520-M524 PolarHBondContact O-N 3.07Å; F520-M524 VanDerWaalsContact O-N 3.11Å; V521-M524 PolarHBondContact O-N 3.28Å; V522-M524 PolarHBondContact O-N 3.28Å; M524-T528 PolarHBondContact O-N 3.32Å; M524-T528 PolarHBondContact O-OG1 2.92Å
525	I	86.8	Confident	84.9	Confident	97 Å²	97	46.9 Å²	46.9	50%	0.497	24%	0.241	S	C	.	.	H	α-helix	trans	-67.7	-49.2	175.2	-66.7	167.3	0	0	0	110.5	V521 V522 I523 N527 T528 L529	V521-I525 HydrophobicContact CG1-CD1 4.01Å; V521-I525 WeakPolarHBondContact O-CG1 3.34Å; V521-I525 PolarHBondContact O-N 2.96Å; V521-I525 VanDerWaalsContact O-N 3.16Å; V522-I525 PolarHBondContact O-N 3.36Å; I523-I525 PolarHBondContact O-N 3.48Å; I525-N527 VanDerWaalsContact C-N 3.32Å; I525-N527 PolarHBondContact O-N 3.5Å; I525-T528 PolarHBondContact O-N 2.94Å; I525-L529 HydrophobicContact CG2-CD1 4.25Å; I525-L529 PolarHBondContact O-N 3.48Å; I525-L529 VanDerWaalsContact O-N 3.16Å
526	L	87.2	Confident	85.6	Confident	19 Å²	19	53.8 Å²	53.8	10%	0.099	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-39.3	179.9	-72.4	176.6	0	0	0	112	W463 L466 V522 I523 T528 L529 Y530 F560	W463-L526 HydrophobicContact CZ3-CD2 4.35Å; L466-L526 HydrophobicContact CD2-CD2 3.93Å; V522-L526 HydrophobicContact CG1-CD1 3.75Å; V522-L526 HydrophobicContact CG1-CG 4.26Å; V522-L526 WeakPolarHBondContact O-CB 3.43Å; V522-L526 WeakPolarHBondContact O-CG 3.4Å; V522-L526 PolarHBondContact O-N 3.23Å; I523-L526 PolarHBondContact O-N 3.12Å; L526-T528 PolarHBondContact O-N 3.17Å; L526-L529 PolarHBondContact O-N 2.91Å; L526-Y530 WeakPolarHBondContact O-CB 3.45Å; L526-Y530 PolarHBondContact O-N 3.41Å; L526-F560 HydrophobicContact CB-CZ 4.17Å
527	N	86.1	Confident	86.6	Confident	18 Å²	18	53.9 Å²	53.9	10%	0.096	27%	0.265	C	S	.	.	H	α-helix	trans	-56.6	-47.1	173.7	-76.6	-5	0	0	0	112.4	I523 I525 L529 Y530 E531 Q561 N564 Y565	I523-N527 WeakPolarHBondContact O-CB 3.43Å; I523-N527 PolarHBondContact O-N 3.16Å; I523-N527 PolarHBondContact O-OD1 2.85Å; I525-N527 VanDerWaalsContact C-N 3.32Å; I525-N527 PolarHBondContact O-N 3.5Å; N527-L529 VanDerWaalsContact C-N 3.32Å; N527-L529 PolarHBondContact O-N 3.48Å; N527-Y530 PolarHBondContact O-N 3.13Å; N527-E531 PolarHBondContact O-N 3.18Å; N527-E531 VanDerWaalsContact O-N 3.1Å; N527-Q561 VanDerWaalsContact CG-NE2 3.27Å; N527-Q561 VanDerWaalsContact CG-OE1 3.25Å; N527-Q561 PolarHBondContact ND2-OE1 3.06Å; N527-Q561 PolarHBondContact OD1-NE2 3.26Å; N527-Q561 PolarHBondContact OD1-OE1 3.12Å; N527-N564 PolarHBondContact OD1-ND2 3.35Å; N527-Y565 PolarHBondContact ND2-OH 2.86Å
528	T	85.9	Confident	87.2	Confident	87 Å²	87	49.1 Å²	49.1	53%	0.534	24%	0.24	S	C	.	.	H	α-helix	trans	-66.6	-34.1	-178.3	-53.5	0	0	0	0	112.2	M524 I525 L526	M524-T528 PolarHBondContact O-N 3.32Å; M524-T528 PolarHBondContact O-OG1 2.92Å; I525-T528 PolarHBondContact O-N 2.94Å; L526-T528 PolarHBondContact O-N 3.17Å
529	L	90	Very high	87.5	Confident	94 Å²	94	49.6 Å²	49.6	49%	0.492	24%	0.244	S	C	.	.	H	α-helix	trans	-73.7	-45.9	176.1	-66.7	174.4	0	0	0	111.7	W463 I525 L526 N527 E531 R532 V533	W463-L529 HydrophobicContact CH2-CB 4.13Å; I525-L529 HydrophobicContact CG2-CD1 4.25Å; I525-L529 PolarHBondContact O-N 3.48Å; I525-L529 VanDerWaalsContact O-N 3.16Å; L526-L529 PolarHBondContact O-N 2.91Å; N527-L529 VanDerWaalsContact C-N 3.32Å; N527-L529 PolarHBondContact O-N 3.48Å; L529-E531 PolarHBondContact O-N 3.06Å; L529-R532 PolarHBondContact O-N 3.42Å; L529-V533 PolarHBondContact O-N 3.01Å
530	Y	90.8	Very high	88	Confident	1 Å²	1	52 Å²	52	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-69.3	-30.5	-176.5	-175.3	-96	0	0	0	113.3	W463 L526 N527 R532 V533 A534 K556 F560	W463-Y530 HydrophobicContact CB-CD2 3.88Å; W463-Y530 HydrophobicContact CB-CE2 3.74Å; W463-Y530 AromaticContact CD2-CD2 3.78Å; W463-Y530 HydrophobicContact CD2-CD2 3.78Å; W463-Y530 HydrophobicContact CD2-CE2 4.43Å; W463-Y530 HydrophobicContact CE3-CD2 4.1Å; W463-Y530 AromaticContact CG-CD2 3.68Å; W463-Y530 HydrophobicContact CG-CD2 3.68Å; W463-Y530 AromaticContact CG-CE2 3.85Å; W463-Y530 HydrophobicContact CG-CE2 3.85Å; L526-Y530 WeakPolarHBondContact O-CB 3.45Å; L526-Y530 PolarHBondContact O-N 3.41Å; N527-Y530 PolarHBondContact O-N 3.13Å; Y530-R532 PolarHBondContact O-N 2.78Å; Y530-V533 PolarHBondContact O-N 2.98Å; Y530-V533 VanDerWaalsContact O-N 3.1Å; Y530-A534 HydrophobicContact CD1-CB 4.2Å; Y530-A534 HydrophobicContact CE1-CB 3.86Å; Y530-A534 WeakPolarHBondContact O-CB 3.36Å; Y530-A534 PolarHBondContact O-N 3.39Å; Y530-K556 WeakPolarHBondContact CE1-O 3.47Å; Y530-K556 PolarHBondContact OH-O 3Å; Y530-F560 VanDerWaalsContact CB-CZ 3.4Å; Y530-F560 HydrophobicContact CD1-CB 3.61Å; Y530-F560 AromaticContact CD1-CD1 3.47Å; Y530-F560 HydrophobicContact CD1-CD1 3.47Å; Y530-F560 VanDerWaalsContact CD1-CD1 3.47Å; Y530-F560 AromaticContact CD1-CD2 3.77Å; Y530-F560 HydrophobicContact CD1-CD2 3.77Å; Y530-F560 HydrophobicContact CD1-CE1 4.04Å; Y530-F560 HydrophobicContact CD1-CE2 4.3Å; Y530-F560 AromaticContact CD1-CG 3.31Å; Y530-F560 HydrophobicContact CD1-CG 3.31Å; Y530-F560 HydrophobicContact CD1-CZ 4.42Å; Y530-F560 HydrophobicContact CD2-CB 4.48Å; Y530-F560 HydrophobicContact CD2-CD1 4.48Å; Y530-F560 AromaticContact CD2-CD2 3.38Å; Y530-F560 HydrophobicContact CD2-CD2 3.38Å; Y530-F560 AromaticContact CD2-CE2 3.58Å; Y530-F560 HydrophobicContact CD2-CE2 3.58Å; Y530-F560 AromaticContact CD2-CG 3.87Å; Y530-F560 HydrophobicContact CD2-CG 3.87Å; Y530-F560 HydrophobicContact CD2-CZ 4.23Å; Y530-F560 HydrophobicContact CE1-CB 3.23Å; Y530-F560 HydrophobicContact CE1-CD1 4.07Å; Y530-F560 AromaticContact CE1-CD2 3.98Å; Y530-F560 HydrophobicContact CE1-CD2 3.98Å; Y530-F560 AromaticContact CE1-CG 3.5Å; Y530-F560 HydrophobicContact CE1-CG 3.5Å; Y530-F560 HydrophobicContact CE2-CB 4.18Å; Y530-F560 AromaticContact CE2-CD2 3.62Å; Y530-F560 HydrophobicContact CE2-CD2 3.62Å; Y530-F560 HydrophobicContact CE2-CE2 4.25Å; Y530-F560 HydrophobicContact CE2-CG 4.04Å; Y530-F560 HydrophobicContact CG-CB 4.2Å; Y530-F560 AromaticContact CG-CD1 3.68Å; Y530-F560 HydrophobicContact CG-CD1 3.68Å; Y530-F560 AromaticContact CG-CD2 3.44Å; Y530-F560 HydrophobicContact CG-CD2 3.44Å; Y530-F560 VanDerWaalsContact CG-CD2 3.44Å; Y530-F560 AromaticContact CG-CE1 3.83Å; Y530-F560 HydrophobicContact CG-CE1 3.83Å; Y530-F560 AromaticContact CG-CE2 3.58Å; Y530-F560 HydrophobicContact CG-CE2 3.58Å; Y530-F560 AromaticContact CG-CG 3.48Å; Y530-F560 HydrophobicContact CG-CG 3.48Å; Y530-F560 VanDerWaalsContact CG-CG 3.48Å; Y530-F560 AromaticContact CG-CZ 3.78Å; Y530-F560 HydrophobicContact CG-CZ 3.78Å; Y530-F560 AromaticContact CZ-CD2 3.89Å; Y530-F560 AromaticContact CZ-CG 3.84Å
531	E	89.3	Confident	88.5	Confident	45 Å²	45	52 Å²	52	21%	0.21	25%	0.254	C	S	.	.	H	α-helix	trans	-46.3	-51.2	168.6	174.1	-164.6	123	0	0	111.4	N527 L529 V533 A534 I535 M557 Y669	N527-E531 PolarHBondContact O-N 3.18Å; N527-E531 VanDerWaalsContact O-N 3.1Å; L529-E531 PolarHBondContact O-N 3.06Å; E531-V533 VanDerWaalsContact C-N 3.29Å; E531-V533 PolarHBondContact O-N 2.66Å; E531-A534 PolarHBondContact O-N 3Å; E531-I535 HydrophobicContact CG-CD1 3.92Å; E531-I535 VanDerWaalsContact O-CG1 3.31Å; E531-I535 WeakPolarHBondContact O-CG1 3.46Å; E531-I535 PolarHBondContact O-N 3.02Å; E531-I535 VanDerWaalsContact O-N 3.08Å; E531-M557 HydrophobicContact CB-CE 4.38Å; E531-M557 HydrophobicContact CG-CE 4.38Å; E531-Y669 VanDerWaalsContact CG-OH 3.3Å; E531-Y669 WeakPolarHBondContact CG-OH 3.41Å; E531-Y669 PolarHBondContact OE2-OH 2.89Å
532	R	90.2	Very high	88.8	Confident	173 Å²	173	49.2 Å²	49.2	65%	0.653	24%	0.236	S	C	*	.	H	α-helix	trans	-65.1	-35.7	-176.6	-57.9	-57	177.7	130.3	-1.8	112.1	L529 Y530 W536	L529-R532 PolarHBondContact O-N 3.42Å; Y530-R532 PolarHBondContact O-N 2.78Å; R532-W536 WeakPolarHBondContact O-CB 3.3Å; R532-W536 PolarHBondContact O-N 3.24Å
533	V	92.1	Very high	88.9	Confident	32 Å²	32	47.9 Å²	47.9	19%	0.194	23%	0.229	C	C	.	.	H	α-helix	trans	-71.8	-44.6	176.3	177.3	0	0	0	0	111.1	T459 W463 L529 Y530 E531 I535 W536 I537	T459-V533 HydrophobicContact CG2-CG1 4.21Å; W463-V533 HydrophobicContact CZ2-CG2 3.82Å; L529-V533 PolarHBondContact O-N 3.01Å; Y530-V533 PolarHBondContact O-N 2.98Å; Y530-V533 VanDerWaalsContact O-N 3.1Å; E531-V533 VanDerWaalsContact C-N 3.29Å; E531-V533 PolarHBondContact O-N 2.66Å; V533-I535 PolarHBondContact O-N 3.48Å; V533-W536 PolarHBondContact O-N 2.77Å; V533-I537 HydrophobicContact CG1-CD1 3.73Å; V533-I537 HydrophobicContact CG1-CG1 4.23Å; V533-I537 VanDerWaalsContact O-CG1 3.29Å; V533-I537 WeakPolarHBondContact O-CG1 3.4Å; V533-I537 PolarHBondContact O-N 2.81Å
534	A	92	Very high	89	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-40.3	-178.4	0	0	0	0	0	112.7	Y530 E531 T538 L553 M557	Y530-A534 HydrophobicContact CD1-CB 4.2Å; Y530-A534 HydrophobicContact CE1-CB 3.86Å; Y530-A534 WeakPolarHBondContact O-CB 3.36Å; Y530-A534 PolarHBondContact O-N 3.39Å; E531-A534 PolarHBondContact O-N 3Å; A534-T538 WeakPolarHBondContact O-CB 3.47Å; A534-T538 PolarHBondContact O-N 3.42Å; A534-T538 VanDerWaalsContact O-N 3.09Å; A534-T538 PolarHBondContact O-OG1 3.13Å; A534-L553 HydrophobicContact CB-CD1 3.8Å; A534-L553 WeakPolarHBondContact O-CD1 3.4Å; A534-M557 HydrophobicContact CB-CG 3.65Å; A534-M557 HydrophobicContact CB-SD 4.34Å
535	I	91	Very high	89.1	Confident	40 Å²	40	51.3 Å²	51.3	21%	0.205	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-50.6	171.5	-62.8	165.1	0	0	0	109.7	E531 V533 I537 T538 D539 L665	E531-I535 HydrophobicContact CG-CD1 3.92Å; E531-I535 VanDerWaalsContact O-CG1 3.31Å; E531-I535 WeakPolarHBondContact O-CG1 3.46Å; E531-I535 PolarHBondContact O-N 3.02Å; E531-I535 VanDerWaalsContact O-N 3.08Å; V533-I535 PolarHBondContact O-N 3.48Å; I535-I537 PolarHBondContact O-N 3.31Å; I535-T538 PolarHBondContact O-N 2.93Å; I535-T538 VanDerWaalsContact O-N 3.14Å; I535-D539 WeakPolarHBondContact O-CB 3.48Å; I535-D539 PolarHBondContact O-N 3.45Å; I535-L665 HydrophobicContact CD1-CD1 4.26Å
536	W	91.6	Very high	88.9	Confident	153 Å²	153	50.3 Å²	50.3	58%	0.58	23%	0.232	S	C	*	.	H	α-helix	trans	-60	-41.6	-179.4	177.3	82.1	0	0	0	113.2	R532 V533 F540	R532-W536 WeakPolarHBondContact O-CB 3.3Å; R532-W536 PolarHBondContact O-N 3.24Å; V533-W536 PolarHBondContact O-N 2.77Å; W536-F540 VanDerWaalsContact O-CB 3.28Å; W536-F540 WeakPolarHBondContact O-CB 3.28Å; W536-F540 PolarHBondContact O-N 2.89Å
537	I	92.3	Very high	88.7	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-46.3	174.2	-66.6	165.1	0	0	0	110.6	T459 V533 I535 F540 E541 K556	T459-I537 HydrophobicContact CG2-CD1 3.68Å; T459-I537 HydrophobicContact CG2-CG1 4.35Å; V533-I537 HydrophobicContact CG1-CD1 3.73Å; V533-I537 HydrophobicContact CG1-CG1 4.23Å; V533-I537 VanDerWaalsContact O-CG1 3.29Å; V533-I537 WeakPolarHBondContact O-CG1 3.4Å; V533-I537 PolarHBondContact O-N 2.81Å; I535-I537 PolarHBondContact O-N 3.31Å; I537-F540 CarbonylContact O-C 3.58Å; I537-F540 WeakPolarHBondContact O-CA 3.48Å; I537-F540 WeakPolarHBondContact O-CB 3.37Å; I537-F540 PolarHBondContact O-N 2.97Å; I537-F540 VanDerWaalsContact O-N 3.11Å; I537-E541 PolarHBondContact O-N 3.25Å; I537-K556 HydrophobicContact CB-CD 4.5Å; I537-K556 HydrophobicContact CG2-CD 3.92Å
538	T	92	Very high	88.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-76.8	-27.8	-173	-45.9	0	0	0	0	112	A534 I535 F540 L542 P543 Y549 L553 K556	A534-T538 WeakPolarHBondContact O-CB 3.47Å; A534-T538 PolarHBondContact O-N 3.42Å; A534-T538 VanDerWaalsContact O-N 3.09Å; A534-T538 PolarHBondContact O-OG1 3.13Å; I535-T538 PolarHBondContact O-N 2.93Å; I535-T538 VanDerWaalsContact O-N 3.14Å; T538-F540 VanDerWaalsContact C-N 3.35Å; T538-L542 PolarHBondContact O-N 3.12Å; T538-P543 WeakPolarHBondContact O-CD 3.27Å; T538-Y549 HydrophobicContact CG2-CD2 3.69Å; T538-Y549 HydrophobicContact CG2-CE2 3.81Å; T538-Y549 HydrophobicContact CG2-CG 4.47Å; T538-L553 HydrophobicContact CG2-CB 4.17Å; T538-K556 PolarHBondContact OG1-NZ 3.19Å
539	D	89.9	Confident	88.8	Confident	75 Å²	75	51.6 Å²	51.6	40%	0.401	24%	0.236	S	C	.	.	H	α-helix	trans	-68.2	-33.4	165.9	-72.5	-9.7	0	0	0	111.8	I535 Y549	I535-D539 WeakPolarHBondContact O-CB 3.48Å; I535-D539 PolarHBondContact O-N 3.45Å; D539-Y549 WeakPolarHBondContact OD1-CE2 3.27Å; D539-Y549 VanDerWaalsContact OD1-CZ 3.29Å; D539-Y549 PolarHBondContact OD1-OH 2.65Å
540	F	89.4	Confident	88.6	Confident	61 Å²	61	49.1 Å²	49.1	27%	0.268	22%	0.222	S	C	.	.	H	α-helix	trans	-74.7	-27.8	175.1	178	-96.9	0	0	0	113.7	R452 I455 W536 I537 T538	R452-F540 HydrophobicContact CB-CD1 4.41Å; R452-F540 HydrophobicContact CB-CE1 4.02Å; R452-F540 HydrophobicContact CG-CD1 4.36Å; R452-F540 HydrophobicContact CG-CE1 3.77Å; R452-F540 HydrophobicContact CG-CZ 4.08Å; R452-F540 VanDerWaalsContact NH1-CD2 3.32Å; R452-F540 VanDerWaalsContact NH1-CE2 3.28Å; R452-F540 PolarHBondContact NH1-O 3.17Å; I455-F540 HydrophobicContact CB-CE1 4.49Å; I455-F540 HydrophobicContact CD1-CE1 4.42Å; I455-F540 HydrophobicContact CG2-CE1 4.29Å; W536-F540 VanDerWaalsContact O-CB 3.28Å; W536-F540 WeakPolarHBondContact O-CB 3.28Å; W536-F540 PolarHBondContact O-N 2.89Å; I537-F540 CarbonylContact O-C 3.58Å; I537-F540 WeakPolarHBondContact O-CA 3.48Å; I537-F540 WeakPolarHBondContact O-CB 3.37Å; I537-F540 PolarHBondContact O-N 2.97Å; I537-F540 VanDerWaalsContact O-N 3.11Å; T538-F540 VanDerWaalsContact C-N 3.35Å
541	E	89.6	Confident	88.5	Confident	27 Å²	27	52 Å²	52	13%	0.126	24%	0.238	C	C	.	.	H	α-helix	trans	-71.6	-31.1	171.6	-77.4	170	-168.6	0	0	113.1	I537 S552 K556	I537-E541 PolarHBondContact O-N 3.25Å; E541-S552 PolarHBondContact OE2-OG 2.94Å; E541-K556 WeakPolarHBondContact OE1-CE 3.46Å; E541-K556 IonicContact OE1-NZ 3.88Å; E541-K556 PolarHBondContact OE1-NZ 2.98Å; E541-K556 IonicContact OE2-NZ 3.54Å; E541-K556 PolarHBondContact OE2-NZ 3.2Å
542	L	89.3	Confident	88.6	Confident	26 Å²	26	51.4 Å²	51.4	14%	0.136	24%	0.239	C	C	.	.			trans	50.5	63.9	179.5	-163	72.4	0	0	0	114.8	Y423 A426 P443 F444 T538	Y423-L542 HydrophobicContact CD2-CG 4.29Å; Y423-L542 WeakPolarHBondContact CD2-O 3.38Å; A426-L542 HydrophobicContact CB-CD2 3.67Å; P443-L542 HydrophobicContact CB-CD2 4.01Å; P443-L542 HydrophobicContact CG-CD2 4.11Å; F444-L542 HydrophobicContact CE2-CB 4.14Å; F444-L542 HydrophobicContact CE2-CD2 3.99Å; F444-L542 HydrophobicContact CZ-CD2 4.31Å; T538-L542 PolarHBondContact O-N 3.12Å
543	P	88.7	Confident	88.7	Confident	15 Å²	15	43.4 Å²	43.4	10%	0.097	21%	0.209	C	C	.	.			trans	-66.6	152.4	173.5	24.8	-31.9	0	0	0	113.6	R420 T538 D548 Y549	R420-P543 PolarHBondContact NH1-O 3.42Å; T538-P543 WeakPolarHBondContact O-CD 3.27Å; P543-D548 HydrophobicContact CB-CB 3.63Å; P543-Y549 HydrophobicContact CG-CD2 3.81Å; P543-Y549 HydrophobicContact CG-CG 4.33Å
544	R	83.5	Confident	88.7	Confident	93 Å²	93	42.3 Å²	42.3	35%	0.351	20%	0.203	S	C	.	.	S	Bend	trans	-71.3	-51.6	-170.4	178.8	177.5	173.8	139.5	-4.7	113.2	R420 Y423 E440	R420-R544 PolarHBondContact N-O 3.44Å; Y423-R544 HydrophobicContact CD1-CB 4.46Å; Y423-R544 HydrophobicContact CD1-CG 4.19Å; Y423-R544 HydrophobicContact CD2-CB 4.12Å; Y423-R544 HydrophobicContact CE1-CB 4.22Å; Y423-R544 HydrophobicContact CE1-CG 3.92Å; Y423-R544 HydrophobicContact CE2-CB 3.84Å; Y423-R544 HydrophobicContact CE2-CG 4.46Å; Y423-R544 HydrophobicContact CG-CB 4.41Å; E440-R544 IonicContact OE1-NH2 2.82Å; E440-R544 PolarHBondContact OE1-NH2 3.31Å; E440-R544 IonicContact OE2-CZ 2.7Å; E440-R544 IonicContact OE2-NH1 3.62Å; E440-R544 PolarHBondContact OE2-NH1 3.11Å; E440-R544 IonicContact OE2-NH2 3.1Å; E440-R544 PolarHBondContact OE2-NH2 3.11Å
545	T	84.2	Confident	88.7	Confident	20 Å²	20	46.7 Å²	46.7	12%	0.123	23%	0.225	C	C	.	.	S	Bend	trans	-95.3	169.4	-176.7	63.8	0	0	0	0	111.7	E417 R420 T547 D548 Y549	E417-T545 HydrophobicContact CB-CG2 4.27Å; E417-T545 WeakPolarHBondContact OE1-CB 3.15Å; R420-T545 WeakPolarHBondContact CD-O 3.16Å; T545-T547 WeakPolarHBondContact CB-OG1 3.1Å; T545-T547 PolarHBondContact OG1-OG1 2.82Å; T545-D548 VanDerWaalsContact OG1-CB 3.24Å; T545-D548 WeakPolarHBondContact OG1-CB 3.4Å; T545-D548 PolarHBondContact OG1-N 3.39Å; T545-Y549 PolarHBondContact O-N 3.1Å
546	R	81.6	Confident	88.7	Confident	76 Å²	76	45.6 Å²	45.6	29%	0.287	22%	0.219	S	C	.	.	H	α-helix	trans	-76.1	-35.6	170.9	178.9	60.4	-175.9	-163.8	0.7	110.4	E417 Y549 E550 K664	E417-R546 WeakPolarHBondContact OE1-CA 3.47Å; E417-R546 WeakPolarHBondContact OE1-CB 3.36Å; E417-R546 PolarHBondContact OE1-N 3.3Å; R546-Y549 PolarHBondContact O-N 3.19Å; R546-E550 IonicContact CZ-OE1 3.57Å; R546-E550 IonicContact NE-OE1 3.89Å; R546-E550 PolarHBondContact NE-OE1 2.83Å; R546-E550 IonicContact NH2-OE1 2.67Å; R546-E550 PolarHBondContact NH2-OE1 3.47Å; R546-E550 PolarHBondContact O-N 3.46Å; R546-K664 PolarHBondContact NH2-O 3.26Å
547	T	82.8	Confident	88.7	Confident	64 Å²	64	38.4 Å²	38.4	39%	0.393	19%	0.192	S	C	.	.	H	α-helix	trans	-58	-49.2	172.3	48.2	0	0	0	0	112.5	E417 T545 Y549 E550 N551	E417-T547 PolarHBondContact OE1-N 3.13Å; E417-T547 WeakPolarHBondContact OE2-CB 3.43Å; E417-T547 WeakPolarHBondContact OE2-CG2 3.35Å; E417-T547 PolarHBondContact OE2-OG1 2.86Å; T545-T547 WeakPolarHBondContact CB-OG1 3.1Å; T545-T547 PolarHBondContact OG1-OG1 2.82Å; T547-Y549 VanDerWaalsContact C-N 3.28Å; T547-Y549 PolarHBondContact O-N 2.75Å; T547-E550 PolarHBondContact O-N 2.97Å; T547-N551 VanDerWaalsContact O-CB 3.29Å; T547-N551 WeakPolarHBondContact O-CB 3.43Å; T547-N551 VanDerWaalsContact O-CG 3.23Å; T547-N551 PolarHBondContact O-N 3.18Å; T547-N551 PolarHBondContact O-ND2 3Å
548	D	85.5	Confident	88.7	Confident	69 Å²	69	38.4 Å²	38.4	37%	0.369	19%	0.192	S	C	.	.	H	α-helix	trans	-58.6	-39.9	176.7	-80.2	-9.4	0	0	0	111.9	P543 T545 S552	P543-D548 HydrophobicContact CB-CB 3.63Å; T545-D548 VanDerWaalsContact OG1-CB 3.24Å; T545-D548 WeakPolarHBondContact OG1-CB 3.4Å; T545-D548 PolarHBondContact OG1-N 3.39Å; D548-S552 WeakPolarHBondContact O-CB 3.13Å; D548-S552 PolarHBondContact O-N 3.38Å
549	Y	88.2	Confident	88.8	Confident	17 Å²	17	41.4 Å²	41.4	7%	0.067	21%	0.208	C	C	.	.	H	α-helix	trans	-64.9	-50	178	-176.5	-99.3	0	0	0	111.8	T538 D539 P543 T545 R546 T547 L553	T538-Y549 HydrophobicContact CG2-CD2 3.69Å; T538-Y549 HydrophobicContact CG2-CE2 3.81Å; T538-Y549 HydrophobicContact CG2-CG 4.47Å; D539-Y549 WeakPolarHBondContact OD1-CE2 3.27Å; D539-Y549 VanDerWaalsContact OD1-CZ 3.29Å; D539-Y549 PolarHBondContact OD1-OH 2.65Å; P543-Y549 HydrophobicContact CG-CD2 3.81Å; P543-Y549 HydrophobicContact CG-CG 4.33Å; T545-Y549 PolarHBondContact O-N 3.1Å; R546-Y549 PolarHBondContact O-N 3.19Å; T547-Y549 VanDerWaalsContact C-N 3.28Å; T547-Y549 PolarHBondContact O-N 2.75Å; Y549-L553 HydrophobicContact CE1-CD2 4.24Å; Y549-L553 VanDerWaalsContact O-CB 3.23Å; Y549-L553 WeakPolarHBondContact O-CB 3.22Å; Y549-L553 PolarHBondContact O-N 3.14Å
550	E	87.3	Confident	88.8	Confident	42 Å²	42	37.9 Å²	37.9	20%	0.196	19%	0.189	C	C	.	.	H	α-helix	trans	-66	-39.6	179.4	-70.8	-175	178.7	0	0	111.4	K295 R546 T547 T554	K295-E550 WeakPolarHBondContact CE-OE2 3.36Å; K295-E550 VanDerWaalsContact NZ-CD 3.27Å; K295-E550 IonicContact NZ-OE1 3.55Å; K295-E550 PolarHBondContact NZ-OE1 3.18Å; K295-E550 IonicContact NZ-OE2 2.61Å; K295-E550 PolarHBondContact NZ-OE2 2.9Å; R546-E550 IonicContact CZ-OE1 3.57Å; R546-E550 IonicContact NE-OE1 3.89Å; R546-E550 PolarHBondContact NE-OE1 2.83Å; R546-E550 IonicContact NH2-OE1 2.67Å; R546-E550 PolarHBondContact NH2-OE1 3.47Å; R546-E550 PolarHBondContact O-N 3.46Å; T547-E550 PolarHBondContact O-N 2.97Å; E550-T554 WeakPolarHBondContact O-CB 3.41Å; E550-T554 PolarHBondContact O-N 3.05Å; E550-T554 PolarHBondContact O-OG1 2.9Å
551	N	89.1	Confident	88.9	Confident	61 Å²	61	35.5 Å²	35.5	33%	0.326	18%	0.179	S	C	.	.	H	α-helix	trans	-65.4	-48.2	175.9	-71.9	-27.3	0	0	0	112.3	T547 L553 T554 L555 A727	T547-N551 VanDerWaalsContact O-CB 3.29Å; T547-N551 WeakPolarHBondContact O-CB 3.43Å; T547-N551 VanDerWaalsContact O-CG 3.23Å; T547-N551 PolarHBondContact O-N 3.18Å; T547-N551 PolarHBondContact O-ND2 3Å; N551-L553 PolarHBondContact O-N 3.11Å; N551-T554 PolarHBondContact O-N 3.41Å; N551-L555 PolarHBondContact O-N 3.44Å; N551-A727 HydrophobicContact CB-CB 4.18Å; N551-A727 WeakPolarHBondContact OD1-CB 3.42Å; N551-A727 PolarHBondContact OD1-N 3.45Å
552	S	91	Very high	89	Confident	34 Å²	34	35.1 Å²	35.1	24%	0.238	18%	0.176	C	C	.	.	H	α-helix	trans	-65.8	-37.5	179.8	-175.7	0	0	0	0	112.4	E541 D548 K556	E541-S552 PolarHBondContact OE2-OG 2.94Å; D548-S552 WeakPolarHBondContact O-CB 3.13Å; D548-S552 PolarHBondContact O-N 3.38Å; S552-K556 WeakPolarHBondContact O-CG 3.49Å; S552-K556 PolarHBondContact O-N 3.44Å; S552-K556 PolarHBondContact O-NZ 2.91Å; S552-K556 PolarHBondContact OG-NZ 3.13Å
553	L	91.4	Very high	89.1	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.026	18%	0.178	C	C	.	.	H	α-helix	trans	-69.5	-43.7	173.7	-176.4	59	0	0	0	111.2	A534 T538 Y549 N551 L555 K556 M557 L665	A534-L553 HydrophobicContact CB-CD1 3.8Å; A534-L553 WeakPolarHBondContact O-CD1 3.4Å; T538-L553 HydrophobicContact CG2-CB 4.17Å; Y549-L553 HydrophobicContact CE1-CD2 4.24Å; Y549-L553 VanDerWaalsContact O-CB 3.23Å; Y549-L553 WeakPolarHBondContact O-CB 3.22Å; Y549-L553 PolarHBondContact O-N 3.14Å; N551-L553 PolarHBondContact O-N 3.11Å; L553-L555 PolarHBondContact O-N 2.91Å; L553-K556 PolarHBondContact O-N 3.5Å; L553-M557 HydrophobicContact CD1-CG 3.96Å; L553-M557 HydrophobicContact CD1-SD 3.74Å; L553-M557 HydrophobicContact CD2-SD 4.32Å; L553-M557 HydrophobicContact CG-CG 4.3Å; L553-M557 HydrophobicContact CG-SD 3.79Å; L553-M557 WeakPolarHBondContact O-CG 3.31Å; L553-M557 PolarHBondContact O-N 2.93Å; L553-L665 HydrophobicContact CD2-CD2 3.39Å
554	T	92.3	Very high	89.1	Confident	9 Å²	9	34.6 Å²	34.6	6%	0.055	17%	0.174	C	C	.	.	H	α-helix	trans	-58.1	-46.3	-179.9	-68	0	0	0	0	111.6	E550 N551 K556 M557 F558 F668 A727 W728 I731	E550-T554 WeakPolarHBondContact O-CB 3.41Å; E550-T554 PolarHBondContact O-N 3.05Å; E550-T554 PolarHBondContact O-OG1 2.9Å; N551-T554 PolarHBondContact O-N 3.41Å; T554-K556 PolarHBondContact O-N 3.02Å; T554-M557 PolarHBondContact O-N 3.35Å; T554-F558 WeakPolarHBondContact O-CB 3.33Å; T554-F558 PolarHBondContact O-N 2.77Å; T554-F668 HydrophobicContact CG2-CE2 4.14Å; T554-A727 HydrophobicContact CG2-CB 3.93Å; T554-W728 HydrophobicContact CG2-CD2 3.82Å; T554-W728 HydrophobicContact CG2-CE3 3.94Å; T554-W728 HydrophobicContact CG2-CH2 3.82Å; T554-W728 HydrophobicContact CG2-CZ2 3.68Å; T554-W728 HydrophobicContact CG2-CZ3 3.93Å; T554-I731 HydrophobicContact CG2-CD1 3.85Å
555	L	91.4	Very high	89.4	Confident	92 Å²	92	30.7 Å²	30.7	48%	0.482	16%	0.159	S	C	.	.	H	α-helix	trans	-61.1	-45.8	177.9	-176.3	63.3	0	0	0	112.1	N551 L553 F558 L559	N551-L555 PolarHBondContact O-N 3.44Å; L553-L555 PolarHBondContact O-N 2.91Å; L555-F558 PolarHBondContact O-N 3.46Å; L555-L559 HydrophobicContact CD1-CD1 4.12Å; L555-L559 HydrophobicContact CD1-CG 4.26Å; L555-L559 HydrophobicContact CG-CD1 4.04Å; L555-L559 WeakPolarHBondContact O-CB 3.2Å; L555-L559 VanDerWaalsContact O-CG 3.28Å; L555-L559 WeakPolarHBondContact O-CG 3.3Å; L555-L559 PolarHBondContact O-N 3.31Å
556	K	92.1	Very high	89.7	Confident	16 Å²	16	29.7 Å²	29.7	7%	0.07	15%	0.153	C	C	.	.	H	α-helix	trans	-66.1	-39.4	179.7	-66.6	-171.6	-161.7	83.9	0	113.1	V460 Y530 I537 T538 E541 S552 L553 T554 F560	V460-K556 HydrophobicContact CG2-CB 4.22Å; V460-K556 HydrophobicContact CG2-CD 3.89Å; V460-K556 HydrophobicContact CG2-CG 3.87Å; Y530-K556 WeakPolarHBondContact CE1-O 3.47Å; Y530-K556 PolarHBondContact OH-O 3Å; I537-K556 HydrophobicContact CB-CD 4.5Å; I537-K556 HydrophobicContact CG2-CD 3.92Å; T538-K556 PolarHBondContact OG1-NZ 3.19Å; E541-K556 WeakPolarHBondContact OE1-CE 3.46Å; E541-K556 IonicContact OE1-NZ 3.88Å; E541-K556 PolarHBondContact OE1-NZ 2.98Å; E541-K556 IonicContact OE2-NZ 3.54Å; E541-K556 PolarHBondContact OE2-NZ 3.2Å; S552-K556 WeakPolarHBondContact O-CG 3.49Å; S552-K556 PolarHBondContact O-N 3.44Å; S552-K556 PolarHBondContact O-NZ 2.91Å; S552-K556 PolarHBondContact OG-NZ 3.13Å; L553-K556 PolarHBondContact O-N 3.5Å; T554-K556 PolarHBondContact O-N 3.02Å; K556-F560 PolarHBondContact O-N 3.41Å
557	M	91.3	Very high	90.1	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-72	-43.6	177.6	-68.3	-174	76.4	0	0	110.8	E531 A534 L553 T554 F560 Q561 F668 Y669	E531-M557 HydrophobicContact CB-CE 4.38Å; E531-M557 HydrophobicContact CG-CE 4.38Å; A534-M557 HydrophobicContact CB-CG 3.65Å; A534-M557 HydrophobicContact CB-SD 4.34Å; L553-M557 HydrophobicContact CD1-CG 3.96Å; L553-M557 HydrophobicContact CD1-SD 3.74Å; L553-M557 HydrophobicContact CD2-SD 4.32Å; L553-M557 HydrophobicContact CG-CG 4.3Å; L553-M557 HydrophobicContact CG-SD 3.79Å; L553-M557 WeakPolarHBondContact O-CG 3.31Å; L553-M557 PolarHBondContact O-N 2.93Å; T554-M557 PolarHBondContact O-N 3.35Å; M557-F560 PolarHBondContact O-N 2.75Å; M557-Q561 WeakPolarHBondContact O-CB 3.42Å; M557-Q561 WeakPolarHBondContact O-CG 3.32Å; M557-Q561 PolarHBondContact O-N 2.36Å; M557-F668 HydrophobicContact CB-CE1 4.07Å; M557-F668 HydrophobicContact CB-CE2 4.14Å; M557-F668 HydrophobicContact CB-CZ 3.41Å; M557-F668 VanDerWaalsContact CB-CZ 3.41Å; M557-F668 HydrophobicContact CE-CD1 4.15Å; M557-F668 HydrophobicContact CE-CE1 3.44Å; M557-F668 VanDerWaalsContact CE-CE1 3.44Å; M557-F668 HydrophobicContact CE-CZ 4.07Å; M557-F668 HydrophobicContact CG-CE1 4.47Å; M557-F668 HydrophobicContact CG-CZ 4.17Å; M557-F668 HydrophobicContact SD-CD1 4.14Å; M557-F668 HydrophobicContact SD-CE1 3.6Å; M557-F668 VanDerWaalsContact SD-CE1 3.6Å; M557-F668 HydrophobicContact SD-CE2 4.46Å; M557-F668 HydrophobicContact SD-CZ 3.8Å; M557-Y669 HydrophobicContact CE-CE1 4.07Å
558	F	93.1	Very high	90.3	Very high	3 Å²	3	24 Å²	24	1%	0.013	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-49.9	175.2	171.7	-105	0	0	0	112.5	T554 L555 F560 Q561 F562 V675 W728 I731 W734 I735	T554-F558 WeakPolarHBondContact O-CB 3.33Å; T554-F558 PolarHBondContact O-N 2.77Å; L555-F558 PolarHBondContact O-N 3.46Å; F558-F560 VanDerWaalsContact C-N 3.3Å; F558-F560 PolarHBondContact O-N 2.95Å; F558-Q561 PolarHBondContact O-N 3.05Å; F558-F562 HydrophobicContact CE1-CB 4.39Å; F558-F562 HydrophobicContact CE1-CD2 4.34Å; F558-F562 HydrophobicContact CE2-CB 4.19Å; F558-F562 HydrophobicContact CE2-CD2 4.07Å; F558-F562 HydrophobicContact CZ-CB 4.06Å; F558-F562 AromaticContact CZ-CD2 3.56Å; F558-F562 HydrophobicContact CZ-CD2 3.56Å; F558-F562 HydrophobicContact CZ-CE2 4.48Å; F558-F562 HydrophobicContact CZ-CG 4.13Å; F558-F562 VanDerWaalsContact O-CB 3.22Å; F558-F562 WeakPolarHBondContact O-CB 3.34Å; F558-F562 PolarHBondContact O-N 3.09Å; F558-V675 HydrophobicContact CD2-CG1 4.28Å; F558-V675 HydrophobicContact CE2-CG1 4.06Å; F558-W728 HydrophobicContact CB-CZ3 4.24Å; F558-W728 HydrophobicContact CD2-CZ3 4.27Å; F558-I731 HydrophobicContact CB-CD1 3.87Å; F558-I731 HydrophobicContact CD1-CD1 3.94Å; F558-I731 HydrophobicContact CD1-CG1 3.95Å; F558-I731 HydrophobicContact CD1-CG2 3.91Å; F558-I731 HydrophobicContact CD2-CG2 3.74Å; F558-I731 HydrophobicContact CE1-CG1 4.3Å; F558-I731 HydrophobicContact CE1-CG2 3.72Å; F558-I731 HydrophobicContact CE2-CG2 3.54Å; F558-I731 HydrophobicContact CG-CD1 3.83Å; F558-I731 HydrophobicContact CG-CG1 4.27Å; F558-I731 HydrophobicContact CG-CG2 3.92Å; F558-I731 HydrophobicContact CZ-CG2 3.53Å; F558-W734 AromaticContact CE1-CE3 3.98Å; F558-W734 HydrophobicContact CE1-CE3 3.98Å; F558-W734 AromaticContact CE1-CZ3 3.91Å; F558-W734 HydrophobicContact CE1-CZ3 3.91Å; F558-W734 HydrophobicContact CZ-CE3 4.14Å; F558-W734 AromaticContact CZ-CZ3 3.98Å; F558-W734 HydrophobicContact CZ-CZ3 3.98Å; F558-I735 HydrophobicContact CE2-CD1 3.89Å; F558-I735 HydrophobicContact CE2-CG1 4.48Å; F558-I735 HydrophobicContact CZ-CD1 3.85Å; F558-I735 HydrophobicContact CZ-CG1 3.95Å
559	L	92.3	Very high	90.4	Very high	63 Å²	63	20.8 Å²	20.8	33%	0.33	11%	0.11	S	C	.	.	H	α-helix	trans	-57.8	-42.4	-178.5	-75.2	169.7	0	0	0	112.4	L555 V563	L555-L559 HydrophobicContact CD1-CD1 4.12Å; L555-L559 HydrophobicContact CD1-CG 4.26Å; L555-L559 HydrophobicContact CG-CD1 4.04Å; L555-L559 WeakPolarHBondContact O-CB 3.2Å; L555-L559 VanDerWaalsContact O-CG 3.28Å; L555-L559 WeakPolarHBondContact O-CG 3.3Å; L555-L559 PolarHBondContact O-N 3.31Å; L559-V563 WeakPolarHBondContact O-CG2 3.19Å; L559-V563 PolarHBondContact O-N 3.03Å
560	F	91.3	Very high	90.6	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-65	-49.2	175.1	177.1	-89.4	0	0	0	112.2	W463 I467 L526 Y530 K556 M557 F558 F562 V563 N564	W463-F560 HydrophobicContact CB-CD2 4.12Å; W463-F560 HydrophobicContact CB-CE2 4.14Å; W463-F560 AromaticContact CE3-CE2 3.86Å; W463-F560 HydrophobicContact CE3-CE2 3.86Å; W463-F560 HydrophobicContact CE3-CZ 4.43Å; I467-F560 HydrophobicContact CD1-CD2 3.53Å; I467-F560 HydrophobicContact CD1-CE1 4.42Å; I467-F560 HydrophobicContact CD1-CE2 3.39Å; I467-F560 HydrophobicContact CD1-CG 4.12Å; I467-F560 HydrophobicContact CD1-CZ 3.88Å; I467-F560 HydrophobicContact CG1-CD2 4.46Å; I467-F560 HydrophobicContact CG1-CE2 3.88Å; I467-F560 HydrophobicContact CG1-CZ 4.24Å; L526-F560 HydrophobicContact CB-CZ 4.17Å; Y530-F560 VanDerWaalsContact CB-CZ 3.4Å; Y530-F560 HydrophobicContact CD1-CB 3.61Å; Y530-F560 AromaticContact CD1-CD1 3.47Å; Y530-F560 HydrophobicContact CD1-CD1 3.47Å; Y530-F560 VanDerWaalsContact CD1-CD1 3.47Å; Y530-F560 AromaticContact CD1-CD2 3.77Å; Y530-F560 HydrophobicContact CD1-CD2 3.77Å; Y530-F560 HydrophobicContact CD1-CE1 4.04Å; Y530-F560 HydrophobicContact CD1-CE2 4.3Å; Y530-F560 AromaticContact CD1-CG 3.31Å; Y530-F560 HydrophobicContact CD1-CG 3.31Å; Y530-F560 HydrophobicContact CD1-CZ 4.42Å; Y530-F560 HydrophobicContact CD2-CB 4.48Å; Y530-F560 HydrophobicContact CD2-CD1 4.48Å; Y530-F560 AromaticContact CD2-CD2 3.38Å; Y530-F560 HydrophobicContact CD2-CD2 3.38Å; Y530-F560 AromaticContact CD2-CE2 3.58Å; Y530-F560 HydrophobicContact CD2-CE2 3.58Å; Y530-F560 AromaticContact CD2-CG 3.87Å; Y530-F560 HydrophobicContact CD2-CG 3.87Å; Y530-F560 HydrophobicContact CD2-CZ 4.23Å; Y530-F560 HydrophobicContact CE1-CB 3.23Å; Y530-F560 HydrophobicContact CE1-CD1 4.07Å; Y530-F560 AromaticContact CE1-CD2 3.98Å; Y530-F560 HydrophobicContact CE1-CD2 3.98Å; Y530-F560 AromaticContact CE1-CG 3.5Å; Y530-F560 HydrophobicContact CE1-CG 3.5Å; Y530-F560 HydrophobicContact CE2-CB 4.18Å; Y530-F560 AromaticContact CE2-CD2 3.62Å; Y530-F560 HydrophobicContact CE2-CD2 3.62Å; Y530-F560 HydrophobicContact CE2-CE2 4.25Å; Y530-F560 HydrophobicContact CE2-CG 4.04Å; Y530-F560 HydrophobicContact CG-CB 4.2Å; Y530-F560 AromaticContact CG-CD1 3.68Å; Y530-F560 HydrophobicContact CG-CD1 3.68Å; Y530-F560 AromaticContact CG-CD2 3.44Å; Y530-F560 HydrophobicContact CG-CD2 3.44Å; Y530-F560 VanDerWaalsContact CG-CD2 3.44Å; Y530-F560 AromaticContact CG-CE1 3.83Å; Y530-F560 HydrophobicContact CG-CE1 3.83Å; Y530-F560 AromaticContact CG-CE2 3.58Å; Y530-F560 HydrophobicContact CG-CE2 3.58Å; Y530-F560 AromaticContact CG-CG 3.48Å; Y530-F560 HydrophobicContact CG-CG 3.48Å; Y530-F560 VanDerWaalsContact CG-CG 3.48Å; Y530-F560 AromaticContact CG-CZ 3.78Å; Y530-F560 HydrophobicContact CG-CZ 3.78Å; Y530-F560 AromaticContact CZ-CD2 3.89Å; Y530-F560 AromaticContact CZ-CG 3.84Å; K556-F560 PolarHBondContact O-N 3.41Å; M557-F560 PolarHBondContact O-N 2.75Å; F558-F560 VanDerWaalsContact C-N 3.3Å; F558-F560 PolarHBondContact O-N 2.95Å; F560-F562 VanDerWaalsContact C-N 3.35Å; F560-F562 PolarHBondContact O-N 3.45Å; F560-V563 PolarHBondContact O-N 3Å; F560-N564 HydrophobicContact CE1-CB 4.34Å; F560-N564 WeakPolarHBondContact O-CB 3.31Å; F560-N564 PolarHBondContact O-N 2.95Å
561	Q	90.6	Very high	90.7	Very high	11 Å²	11	22.1 Å²	22.1	5%	0.051	12%	0.115	C	C	.	.	H	α-helix	trans	-65.3	-37.9	-177.4	-67.7	-76	-8.3	0	0	112.1	N527 M557 F558 N564 Y565 L672 I676	N527-Q561 VanDerWaalsContact CG-NE2 3.27Å; N527-Q561 VanDerWaalsContact CG-OE1 3.25Å; N527-Q561 PolarHBondContact ND2-OE1 3.06Å; N527-Q561 PolarHBondContact OD1-NE2 3.26Å; N527-Q561 PolarHBondContact OD1-OE1 3.12Å; M557-Q561 WeakPolarHBondContact O-CB 3.42Å; M557-Q561 WeakPolarHBondContact O-CG 3.32Å; M557-Q561 PolarHBondContact O-N 2.36Å; F558-Q561 PolarHBondContact O-N 3.05Å; Q561-N564 PolarHBondContact O-N 2.91Å; Q561-Y565 WeakPolarHBondContact O-CD2 3.49Å; Q561-Y565 PolarHBondContact O-N 2.76Å; Q561-L672 HydrophobicContact CB-CD1 3.99Å; Q561-L672 HydrophobicContact CG-CD1 4.05Å; Q561-L672 HydrophobicContact CG-CD2 3.91Å; Q561-I676 HydrophobicContact CB-CD1 4.36Å
562	F	92.4	Very high	90.6	Very high	18 Å²	18	19.7 Å²	19.7	8%	0.079	10%	0.102	C	C	.	.	H	α-helix	trans	-56.6	-51	172.9	-179	-82.1	0	0	0	110.8	F558 F560 Y566 F570 L683 W734 L738	F558-F562 HydrophobicContact CE1-CB 4.39Å; F558-F562 HydrophobicContact CE1-CD2 4.34Å; F558-F562 HydrophobicContact CE2-CB 4.19Å; F558-F562 HydrophobicContact CE2-CD2 4.07Å; F558-F562 HydrophobicContact CZ-CB 4.06Å; F558-F562 AromaticContact CZ-CD2 3.56Å; F558-F562 HydrophobicContact CZ-CD2 3.56Å; F558-F562 HydrophobicContact CZ-CE2 4.48Å; F558-F562 HydrophobicContact CZ-CG 4.13Å; F558-F562 VanDerWaalsContact O-CB 3.22Å; F558-F562 WeakPolarHBondContact O-CB 3.34Å; F558-F562 PolarHBondContact O-N 3.09Å; F560-F562 VanDerWaalsContact C-N 3.35Å; F560-F562 PolarHBondContact O-N 3.45Å; F562-Y566 HydrophobicContact CB-CD2 4.34Å; F562-Y566 HydrophobicContact CB-CE2 4.43Å; F562-Y566 HydrophobicContact CD1-CD2 4.13Å; F562-Y566 AromaticContact CD2-CD2 3.41Å; F562-Y566 HydrophobicContact CD2-CD2 3.41Å; F562-Y566 VanDerWaalsContact CD2-CD2 3.41Å; F562-Y566 AromaticContact CD2-CE2 3.33Å; F562-Y566 HydrophobicContact CD2-CE2 3.33Å; F562-Y566 HydrophobicContact CE1-CD2 4.17Å; F562-Y566 AromaticContact CE2-CD2 3.45Å; F562-Y566 HydrophobicContact CE2-CD2 3.45Å; F562-Y566 VanDerWaalsContact CE2-CD2 3.45Å; F562-Y566 AromaticContact CE2-CE2 3.56Å; F562-Y566 HydrophobicContact CE2-CE2 3.56Å; F562-Y566 AromaticContact CG-CD2 3.73Å; F562-Y566 HydrophobicContact CG-CD2 3.73Å; F562-Y566 AromaticContact CG-CE2 3.99Å; F562-Y566 HydrophobicContact CG-CE2 3.99Å; F562-Y566 AromaticContact CZ-CD2 3.82Å; F562-Y566 HydrophobicContact CZ-CD2 3.82Å; F562-Y566 HydrophobicContact CZ-CE2 4.37Å; F562-Y566 WeakPolarHBondContact O-CB 3.11Å; F562-Y566 WeakPolarHBondContact O-CD2 3.21Å; F562-Y566 PolarHBondContact O-N 3.02Å; F562-Y566 VanDerWaalsContact O-N 3.09Å; F562-F570 AromaticContact CE1-CE2 3.91Å; F562-F570 HydrophobicContact CE1-CE2 3.91Å; F562-F570 HydrophobicContact CE1-CZ 4.44Å; F562-F570 AromaticContact CZ-CE2 3.95Å; F562-F570 HydrophobicContact CZ-CE2 3.95Å; F562-F570 HydrophobicContact CZ-CZ 4.05Å; F562-L683 HydrophobicContact CE2-CD1 4Å; F562-L683 HydrophobicContact CZ-CD1 4.29Å; F562-W734 HydrophobicContact CD1-CH2 4.36Å; F562-W734 HydrophobicContact CD1-CZ3 4.5Å; F562-W734 HydrophobicContact CD2-CH2 4.38Å; F562-W734 AromaticContact CD2-CZ3 3.77Å; F562-W734 HydrophobicContact CD2-CZ3 3.77Å; F562-W734 HydrophobicContact CE1-CH2 4.01Å; F562-W734 HydrophobicContact CE1-CZ3 4.33Å; F562-W734 HydrophobicContact CE2-CH2 4.04Å; F562-W734 AromaticContact CE2-CZ3 3.56Å; F562-W734 HydrophobicContact CE2-CZ3 3.56Å; F562-W734 HydrophobicContact CG-CZ3 4.28Å; F562-W734 AromaticContact CZ-CH2 3.87Å; F562-W734 HydrophobicContact CZ-CH2 3.87Å; F562-W734 AromaticContact CZ-CZ3 3.89Å; F562-W734 HydrophobicContact CZ-CZ3 3.89Å; F562-L738 HydrophobicContact CE1-CD2 4.34Å; F562-L738 HydrophobicContact CE2-CD2 4.13Å; F562-L738 HydrophobicContact CZ-CD2 3.49Å; F562-L738 VanDerWaalsContact CZ-CD2 3.49Å
563	V	91.9	Very high	90.5	Very high	27 Å²	27	18.1 Å²	18.1	16%	0.164	9%	0.091	C	C	.	.	H	α-helix	trans	-65.9	-44.7	177.1	179.5	0	0	0	0	110.5	I464 I467 L468 L559 F560 Y565 S567	I464-V563 HydrophobicContact CG1-CG2 4.31Å; I464-V563 HydrophobicContact CG2-CG1 4.37Å; I464-V563 HydrophobicContact CG2-CG2 4.24Å; I467-V563 HydrophobicContact CB-CG1 4.18Å; I467-V563 HydrophobicContact CD1-CB 4.21Å; I467-V563 HydrophobicContact CD1-CG1 4.15Å; I467-V563 HydrophobicContact CG2-CG1 3.89Å; L468-V563 HydrophobicContact CD2-CG1 4.39Å; L559-V563 WeakPolarHBondContact O-CG2 3.19Å; L559-V563 PolarHBondContact O-N 3.03Å; F560-V563 PolarHBondContact O-N 3Å; V563-Y565 PolarHBondContact O-N 3.3Å; V563-S567 WeakPolarHBondContact O-CB 3.3Å; V563-S567 PolarHBondContact O-N 3.37Å; V563-S567 PolarHBondContact O-OG 3.35Å
564	N	88.6	Confident	90.5	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-63.5	-41.3	-175.7	-153.3	24	0	0	0	112.9	I467 I523 N527 F560 Q561	I467-N564 HydrophobicContact CD1-CB 3.91Å; I467-N564 HydrophobicContact CG1-CB 4.49Å; I523-N564 WeakPolarHBondContact CD1-O 3.26Å; I523-N564 PolarHBondContact O-ND2 2.81Å; N527-N564 PolarHBondContact OD1-ND2 3.35Å; F560-N564 HydrophobicContact CE1-CB 4.34Å; F560-N564 WeakPolarHBondContact O-CB 3.31Å; F560-N564 PolarHBondContact O-N 2.95Å; Q561-N564 PolarHBondContact O-N 2.91Å
565	Y	88.6	Confident	90.3	Very high	10 Å²	10	23 Å²	23	4%	0.039	12%	0.117	C	C	.	.	H	α-helix	trans	-79.3	-51.7	178.5	-77.9	-65.4	0	0	0	113.6	I523 N527 Q561 V563 I614 K618 I676 F680	I523-Y565 HydrophobicContact CG2-CD1 4Å; I523-Y565 HydrophobicContact CG2-CE1 3.63Å; N527-Y565 PolarHBondContact ND2-OH 2.86Å; Q561-Y565 WeakPolarHBondContact O-CD2 3.49Å; Q561-Y565 PolarHBondContact O-N 2.76Å; V563-Y565 PolarHBondContact O-N 3.3Å; Y565-I614 HydrophobicContact CD1-CG2 4.21Å; Y565-K618 HydrophobicContact CE1-CD 4.06Å; Y565-I676 HydrophobicContact CD2-CD1 4.12Å; Y565-I676 HydrophobicContact CD2-CG1 4.24Å; Y565-I676 HydrophobicContact CD2-CG2 3.87Å; Y565-I676 HydrophobicContact CE2-CG2 4.27Å; Y565-I676 HydrophobicContact CG-CG2 4.16Å; Y565-F680 HydrophobicContact CD1-CZ 4.44Å
566	Y	91.6	Very high	89.9	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-86.4	-22.2	-166.9	-55.2	-54.9	0	0	0	115	F562 S568 C569 F570 I676 G679 F680 L683 F684	F562-Y566 HydrophobicContact CB-CD2 4.34Å; F562-Y566 HydrophobicContact CB-CE2 4.43Å; F562-Y566 HydrophobicContact CD1-CD2 4.13Å; F562-Y566 AromaticContact CD2-CD2 3.41Å; F562-Y566 HydrophobicContact CD2-CD2 3.41Å; F562-Y566 VanDerWaalsContact CD2-CD2 3.41Å; F562-Y566 AromaticContact CD2-CE2 3.33Å; F562-Y566 HydrophobicContact CD2-CE2 3.33Å; F562-Y566 HydrophobicContact CE1-CD2 4.17Å; F562-Y566 AromaticContact CE2-CD2 3.45Å; F562-Y566 HydrophobicContact CE2-CD2 3.45Å; F562-Y566 VanDerWaalsContact CE2-CD2 3.45Å; F562-Y566 AromaticContact CE2-CE2 3.56Å; F562-Y566 HydrophobicContact CE2-CE2 3.56Å; F562-Y566 AromaticContact CG-CD2 3.73Å; F562-Y566 HydrophobicContact CG-CD2 3.73Å; F562-Y566 AromaticContact CG-CE2 3.99Å; F562-Y566 HydrophobicContact CG-CE2 3.99Å; F562-Y566 AromaticContact CZ-CD2 3.82Å; F562-Y566 HydrophobicContact CZ-CD2 3.82Å; F562-Y566 HydrophobicContact CZ-CE2 4.37Å; F562-Y566 WeakPolarHBondContact O-CB 3.11Å; F562-Y566 WeakPolarHBondContact O-CD2 3.21Å; F562-Y566 PolarHBondContact O-N 3.02Å; F562-Y566 VanDerWaalsContact O-N 3.09Å; Y566-S568 VanDerWaalsContact C-N 3.3Å; Y566-S568 PolarHBondContact O-N 3.49Å; Y566-C569 WeakPolarHBondContact O-CA 3.25Å; Y566-C569 WeakPolarHBondContact O-CB 3.34Å; Y566-C569 PolarHBondContact O-N 3.16Å; Y566-F570 VanDerWaalsContact CB-CE2 3.47Å; Y566-F570 HydrophobicContact CG-CE2 4.46Å; Y566-F570 WeakPolarHBondContact O-CD2 3.23Å; Y566-F570 PolarHBondContact O-N 3.43Å; Y566-I676 HydrophobicContact CE2-CD1 3.98Å; Y566-I676 VanDerWaalsContact OH-CA 3.31Å; Y566-I676 WeakPolarHBondContact OH-CA 3.21Å; Y566-I676 PolarHBondContact OH-O 3.26Å; Y566-G679 VanDerWaalsContact OH-CA 3.23Å; Y566-G679 WeakPolarHBondContact OH-CA 3.42Å; Y566-F680 AromaticContact CD1-CD1 3.95Å; Y566-F680 HydrophobicContact CD1-CD1 3.95Å; Y566-F680 AromaticContact CD1-CE1 3.63Å; Y566-F680 HydrophobicContact CD1-CE1 3.63Å; Y566-F680 HydrophobicContact CD1-CZ 4.06Å; Y566-F680 AromaticContact CE1-CD1 3.66Å; Y566-F680 HydrophobicContact CE1-CD1 3.66Å; Y566-F680 HydrophobicContact CE1-CD2 4.12Å; Y566-F680 AromaticContact CE1-CE1 3.64Å; Y566-F680 HydrophobicContact CE1-CE1 3.64Å; Y566-F680 HydrophobicContact CE1-CE2 4.11Å; Y566-F680 AromaticContact CE1-CG 3.89Å; Y566-F680 HydrophobicContact CE1-CG 3.89Å; Y566-F680 AromaticContact CE1-CZ 3.86Å; Y566-F680 HydrophobicContact CE1-CZ 3.86Å; Y566-L683 HydrophobicContact CD1-CD1 4.23Å; Y566-L683 HydrophobicContact CD2-CD1 4.03Å; Y566-L683 HydrophobicContact CE1-CD1 4.18Å; Y566-L683 HydrophobicContact CE2-CD1 3.99Å; Y566-L683 HydrophobicContact CG-CD1 4.15Å; Y566-F684 AromaticContact CD1-CE2 3.77Å; Y566-F684 HydrophobicContact CD1-CE2 3.77Å; Y566-F684 HydrophobicContact CE1-CE2 4.48Å; Y566-F684 HydrophobicContact CG-CE2 4.31Å
567	S	89.7	Confident	89.3	Confident	14 Å²	14	19.4 Å²	19.4	10%	0.098	10%	0.103	C	C	.	.	H	α-helix	trans	-57.5	-38.1	-175.3	57.5	0	0	0	0	114	I471 V563 C569 F570 Y571	I471-S567 WeakPolarHBondContact CD1-OG 3.23Å; V563-S567 WeakPolarHBondContact O-CB 3.3Å; V563-S567 PolarHBondContact O-N 3.37Å; V563-S567 PolarHBondContact O-OG 3.35Å; S567-C569 VanDerWaalsContact C-N 3.29Å; S567-C569 PolarHBondContact O-N 2.83Å; S567-F570 PolarHBondContact O-N 3.4Å; S567-Y571 WeakPolarHBondContact O-CB 3.43Å; S567-Y571 PolarHBondContact O-N 2.9Å
568	S	86.5	Confident	89	Confident	7 Å²	7	23.7 Å²	23.7	5%	0.049	12%	0.122	C	C	.	.	H	α-helix	trans	-62.2	-35.9	174.1	67.5	0	0	0	0	112.6	Y566 I572	Y566-S568 VanDerWaalsContact C-N 3.3Å; Y566-S568 PolarHBondContact O-N 3.49Å; S568-I572 WeakPolarHBondContact O-CG1 3.37Å; S568-I572 PolarHBondContact O-N 2.92Å
569	C	88.8	Confident	88.4	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-75.9	-41.2	176.9	-61.1	0	0	0	0	111.4	Y566 S567 Y571 I572 A573 L607 L611 F684	Y566-C569 WeakPolarHBondContact O-CA 3.25Å; Y566-C569 WeakPolarHBondContact O-CB 3.34Å; Y566-C569 PolarHBondContact O-N 3.16Å; S567-C569 VanDerWaalsContact C-N 3.29Å; S567-C569 PolarHBondContact O-N 2.83Å; C569-Y571 VanDerWaalsContact C-N 3.31Å; C569-Y571 PolarHBondContact O-N 3.27Å; C569-I572 PolarHBondContact O-N 3.42Å; C569-A573 WeakPolarHBondContact O-CB 3.07Å; C569-A573 PolarHBondContact O-N 3.41Å; C569-L607 HydrophobicContact CB-CD1 3.86Å; C569-L607 WeakPolarHBondContact O-CD1 3.41Å; C569-L611 HydrophobicContact CB-CD2 4.24Å; C569-F684 HydrophobicContact CB-CD1 4.34Å; C569-F684 HydrophobicContact CB-CE1 3.66Å; C569-F684 HydrophobicContact CB-CE2 4.24Å; C569-F684 HydrophobicContact CB-CZ 3.61Å
570	F	92.1	Very high	87.9	Confident	45 Å²	45	26.6 Å²	26.6	20%	0.197	14%	0.138	C	C	.	.	H	α-helix	trans	-60.7	-37.4	172.8	-69.4	-51	0	0	0	112.5	F562 Y566 S567 A573 F574 L683 F684 T742	F562-F570 AromaticContact CE1-CE2 3.91Å; F562-F570 HydrophobicContact CE1-CE2 3.91Å; F562-F570 HydrophobicContact CE1-CZ 4.44Å; F562-F570 AromaticContact CZ-CE2 3.95Å; F562-F570 HydrophobicContact CZ-CE2 3.95Å; F562-F570 HydrophobicContact CZ-CZ 4.05Å; Y566-F570 VanDerWaalsContact CB-CE2 3.47Å; Y566-F570 HydrophobicContact CG-CE2 4.46Å; Y566-F570 WeakPolarHBondContact O-CD2 3.23Å; Y566-F570 PolarHBondContact O-N 3.43Å; S567-F570 PolarHBondContact O-N 3.4Å; F570-A573 PolarHBondContact O-N 3.04Å; F570-F574 HydrophobicContact CD1-CD2 4.21Å; F570-F574 AromaticContact CD1-CE2 3.72Å; F570-F574 HydrophobicContact CD1-CE2 3.72Å; F570-F574 HydrophobicContact CE1-CE2 4.32Å; F570-F574 PolarHBondContact O-N 2.81Å; F570-L683 HydrophobicContact CZ-CD1 4.35Å; F570-F684 AromaticContact CD1-CE1 3.95Å; F570-F684 HydrophobicContact CD1-CE1 3.95Å; F570-F684 AromaticContact CD1-CZ 3.81Å; F570-F684 HydrophobicContact CD1-CZ 3.81Å; F570-F684 HydrophobicContact CE1-CE1 4.08Å; F570-F684 AromaticContact CE1-CZ 3.69Å; F570-F684 HydrophobicContact CE1-CZ 3.69Å; F570-F684 HydrophobicContact CG-CZ 4.31Å; F570-F684 HydrophobicContact CZ-CZ 4.07Å; F570-T742 HydrophobicContact CD1-CG2 4.47Å; F570-T742 HydrophobicContact CE1-CG2 3.78Å
571	Y	88.9	Confident	87.5	Confident	42 Å²	42	27.9 Å²	27.9	17%	0.165	15%	0.151	C	C	.	.	I	π-helix	trans	-61	-49.2	174.1	173.2	-98.8	0	0	0	112.1	I475 S567 C569 A573 V575 K576	I475-Y571 HydrophobicContact CD1-CD1 4.04Å; I475-Y571 HydrophobicContact CD1-CD2 3.76Å; I475-Y571 HydrophobicContact CD1-CE1 3.73Å; I475-Y571 HydrophobicContact CD1-CE2 3.44Å; I475-Y571 VanDerWaalsContact CD1-CE2 3.44Å; I475-Y571 HydrophobicContact CD1-CG 4.06Å; I475-Y571 VanDerWaalsContact CD1-CZ 3.43Å; I475-Y571 HydrophobicContact CG1-CD1 4.36Å; I475-Y571 HydrophobicContact CG1-CE1 3.86Å; I475-Y571 HydrophobicContact CG1-CE2 4.4Å; S567-Y571 WeakPolarHBondContact O-CB 3.43Å; S567-Y571 PolarHBondContact O-N 2.9Å; C569-Y571 VanDerWaalsContact C-N 3.31Å; C569-Y571 PolarHBondContact O-N 3.27Å; Y571-A573 PolarHBondContact O-N 3.01Å; Y571-V575 HydrophobicContact CD2-CB 3.65Å; Y571-V575 HydrophobicContact CD2-CG1 3.87Å; Y571-V575 HydrophobicContact CD2-CG2 4.23Å; Y571-V575 HydrophobicContact CE2-CB 3.88Å; Y571-V575 HydrophobicContact CE2-CG1 3.67Å; Y571-V575 HydrophobicContact CG-CB 4.48Å; Y571-V575 WeakPolarHBondContact O-CA 3.44Å; Y571-V575 WeakPolarHBondContact O-CB 3.41Å; Y571-V575 PolarHBondContact O-N 3.16Å; Y571-K576 HydrophobicContact CE1-CB 4.13Å; Y571-K576 PolarHBondContact O-N 3.44Å
572	I	86.6	Confident	87.3	Confident	11 Å²	11	29 Å²	29	6%	0.056	16%	0.156	C	C	.	.	I	π-helix	trans	-65.2	-39.2	178.8	-63.1	167.5	0	0	0	111.1	S568 C569 C603 E606 L607 Q610	S568-I572 WeakPolarHBondContact O-CG1 3.37Å; S568-I572 PolarHBondContact O-N 2.92Å; C569-I572 PolarHBondContact O-N 3.42Å; I572-C603 HydrophobicContact CG2-CB 4.2Å; I572-E606 HydrophobicContact CG2-CB 3.85Å; I572-L607 HydrophobicContact CB-CD1 4.49Å; I572-L607 HydrophobicContact CG2-CB 4Å; I572-Q610 HydrophobicContact CD1-CB 3.93Å; I572-Q610 HydrophobicContact CD1-CG 3.83Å
573	A	90.1	Very high	86.9	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.008	16%	0.156	C	C	.	.	I	π-helix	trans	-67.6	-46.2	-179.3	0	0	0	0	0	113.2	C569 F570 Y571 L607 I746 T750	C569-A573 WeakPolarHBondContact O-CB 3.07Å; C569-A573 PolarHBondContact O-N 3.41Å; F570-A573 PolarHBondContact O-N 3.04Å; Y571-A573 PolarHBondContact O-N 3.01Å; A573-L607 HydrophobicContact CB-CD1 4.46Å; A573-L607 HydrophobicContact CB-CD2 3.92Å; A573-I746 HydrophobicContact CB-CG1 4.38Å; A573-T750 PolarHBondContact O-OG1 3.3Å
574	F	90.3	Very high	86.5	Confident	51 Å²	51	27.9 Å²	27.9	22%	0.224	15%	0.153	C	C	.	.	I	π-helix	trans	-118	-22	-163.3	-55.2	-38.2	0	0	0	115.5	F570 K578 T742 M745 I746	F570-F574 HydrophobicContact CD1-CD2 4.21Å; F570-F574 AromaticContact CD1-CE2 3.72Å; F570-F574 HydrophobicContact CD1-CE2 3.72Å; F570-F574 HydrophobicContact CE1-CE2 4.32Å; F570-F574 PolarHBondContact O-N 2.81Å; F574-K578 WeakPolarHBondContact O-CG 3.28Å; F574-T742 HydrophobicContact CE2-CG2 4.31Å; F574-T742 HydrophobicContact CZ-CG2 3.95Å; F574-M745 HydrophobicContact CD1-CB 4.33Å; F574-M745 HydrophobicContact CE1-CB 3.51Å; F574-M745 HydrophobicContact CE2-CE 4.14Å; F574-M745 HydrophobicContact CZ-CB 3.7Å; F574-M745 HydrophobicContact CZ-CE 4.1Å; F574-I746 HydrophobicContact CE1-CG1 3.82Å; F574-I746 HydrophobicContact CZ-CG1 3.97Å
575	V	87.7	Confident	86.3	Confident	64 Å²	64	34.8 Å²	34.8	39%	0.388	19%	0.185	S	C	.	.	I	π-helix	trans	-109.2	-44.2	-173.9	-173.5	0	0	0	0	112	Y571 G577 K578 I579	Y571-V575 HydrophobicContact CD2-CB 3.65Å; Y571-V575 HydrophobicContact CD2-CG1 3.87Å; Y571-V575 HydrophobicContact CD2-CG2 4.23Å; Y571-V575 HydrophobicContact CE2-CB 3.88Å; Y571-V575 HydrophobicContact CE2-CG1 3.67Å; Y571-V575 HydrophobicContact CG-CB 4.48Å; Y571-V575 WeakPolarHBondContact O-CA 3.44Å; Y571-V575 WeakPolarHBondContact O-CB 3.41Å; Y571-V575 PolarHBondContact O-N 3.16Å; V575-G577 PolarHBondContact O-N 3.48Å; V575-K578 PolarHBondContact O-N 3.29Å; V575-I579 HydrophobicContact CG1-CD1 4.29Å
576	K	84.3	Confident	86	Confident	12 Å²	12	35 Å²	35	5%	0.052	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	136.6	-178.5	-176	172.2	167.4	160.9	0	111.4	Y571 K578 E596 E597 C603 E606	Y571-K576 HydrophobicContact CE1-CB 4.13Å; Y571-K576 PolarHBondContact O-N 3.44Å; K576-K578 PolarHBondContact O-N 2.88Å; K576-E596 HydrophobicContact CD-CB 4.23Å; K576-E596 WeakPolarHBondContact CE-OE2 3.49Å; K576-E596 HydrophobicContact CG-CB 4.16Å; K576-E596 IonicContact NZ-OE2 3.85Å; K576-E596 PolarHBondContact NZ-OE2 3.45Å; K576-E597 WeakPolarHBondContact CE-O 3.11Å; K576-E597 PolarHBondContact NZ-O 3.24Å; K576-C603 VanDerWaalsContact CG-SG 3.59Å; K576-E606 VanDerWaalsContact CE-OE1 3.24Å; K576-E606 WeakPolarHBondContact CE-OE1 3.45Å; K576-E606 IonicContact NZ-OE1 2.71Å; K576-E606 PolarHBondContact NZ-OE1 3.3Å; K576-E606 IonicContact NZ-OE2 2.78Å; K576-E606 PolarHBondContact NZ-OE2 3.1Å
577	G	79.7	Confident	85.7	Confident	21 Å²	21	37.7 Å²	37.7	22%	0.216	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	5.2	179.7	0	0	0	0	0	116	V575 E596	V575-G577 PolarHBondContact O-N 3.48Å; G577-E596 WeakPolarHBondContact CA-O 3.43Å; G577-E596 PolarHBondContact N-O 2.87Å
578	K	83.5	Confident	85.2	Confident	92 Å²	92	40.4 Å²	40.4	40%	0.4	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-27.3	178.5	-53.1	-45.4	-177	-165.7	0	113.4	F574 V575 K576 F749	F574-K578 WeakPolarHBondContact O-CG 3.28Å; V575-K578 PolarHBondContact O-N 3.29Å; K576-K578 PolarHBondContact O-N 2.88Å; K578-F749 VanDerWaalsContact CE-O 3.31Å; K578-F749 WeakPolarHBondContact CE-O 3.27Å; K578-F749 PolarHBondContact NZ-O 3.34Å
579	I	82.1	Confident	84.6	Confident	100 Å²	100	42.6 Å²	42.6	51%	0.513	22%	0.223	S	C	.	.	S	Bend	trans	-115.9	57.5	-174.9	-42.8	177.6	0	0	0	109.5	V575 N595	V575-I579 HydrophobicContact CG1-CD1 4.29Å; I579-N595 PolarHBondContact O-ND2 3.2Å
580	V	79.9	Confident	83.8	Confident	28 Å²	28	49.5 Å²	49.5	17%	0.17	26%	0.26	C	S	.	.			trans	-112.4	-27.1	-172.6	-68.8	0	0	0	0	114.5	P586 V587 N595 E597	V580-P586 WeakPolarHBondContact O-CA 3.45Å; V580-V587 PolarHBondContact O-N 3.42Å; V580-N595 HydrophobicContact CG1-CB 4.16Å; V580-E597 HydrophobicContact CB-CG 4.07Å; V580-E597 HydrophobicContact CG1-CG 3.78Å; V580-E597 HydrophobicContact CG2-CG 4.36Å
581	G	83.7	Confident	82.9	Confident	27 Å²	27	50.8 Å²	50.8	28%	0.278	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	87.9	-145.8	-178.3	0	0	0	0	0	112.7
582	H	86.7	Confident	82	Confident	36 Å²	36	55.9 Å²	55.9	17%	0.167	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	160.7	170.6	67.6	106.9	0	0	0	109.6	G584 Q585 Y810 Y823	H582-G584 PolarHBondContact O-N 3.35Å; H582-Q585 CarbonylContact O-C 3.49Å; H582-Q585 PolarHBondContact O-N 3.25Å; H582-Y810 HydrophobicContact CB-CE2 3.96Å; H582-Y823 AromaticContact ND1-CG 3.91Å
583	P	84.6	Confident	81.2	Confident	10 Å²	10	58.4 Å²	58.4	7%	0.065	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.4	-167.6	-27.7	35.4	0	0	0	115.6	C349 F785 F790 Y810	C349-P583 HydrophobicContact CB-CG 4.42Å; P583-F785 HydrophobicContact CB-CD1 3.91Å; P583-F785 HydrophobicContact CB-CD2 4.11Å; P583-F785 HydrophobicContact CB-CE1 3.84Å; P583-F785 HydrophobicContact CB-CE2 4.07Å; P583-F785 HydrophobicContact CB-CG 4.05Å; P583-F785 HydrophobicContact CB-CZ 3.94Å; P583-F785 HydrophobicContact CG-CD1 4.41Å; P583-F785 HydrophobicContact CG-CD2 4.23Å; P583-F785 HydrophobicContact CG-CG 4.14Å; P583-F790 HydrophobicContact CB-CD1 4.47Å; P583-F790 HydrophobicContact CB-CE1 3.62Å; P583-F790 HydrophobicContact CB-CZ 4.03Å; P583-F790 VanDerWaalsContact O-CD1 3.3Å; P583-F790 WeakPolarHBondContact O-CD1 3.21Å; P583-F790 WeakPolarHBondContact O-CE1 3.42Å; P583-Y810 HydrophobicContact CG-CD1 4Å; P583-Y810 HydrophobicContact CG-CD2 4.06Å; P583-Y810 HydrophobicContact CG-CE1 4.39Å; P583-Y810 HydrophobicContact CG-CE2 4.42Å; P583-Y810 HydrophobicContact CG-CG 3.82Å
584	G	82.4	Confident	80.6	Confident	11 Å²	11	58.9 Å²	58.9	11%	0.113	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-20.8	175.7	0	0	0	0	0	114.9	H582 F785 D789	H582-G584 PolarHBondContact O-N 3.35Å; G584-F785 VanDerWaalsContact N-CZ 3.31Å; G584-D789 WeakPolarHBondContact CA-O 3.48Å
585	Q	84.5	Confident	80	Confident	148 Å²	148	57.5 Å²	57.5	69%	0.692	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.6	72.2	178.9	-158.5	170.2	20.7	0	0	111.1	H582	H582-Q585 CarbonylContact O-C 3.49Å; H582-Q585 PolarHBondContact O-N 3.25Å
586	P	82.6	Confident	79.4	Confident	15 Å²	15	55.6 Å²	55.6	10%	0.097	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	157.9	-178.7	31.5	-34.6	0	0	0	112.5	V580 Y588 R594 T794	V580-P586 WeakPolarHBondContact O-CA 3.45Å; P586-Y588 HydrophobicContact CG-CE2 3.88Å; P586-R594 HydrophobicContact CB-CG 4.27Å; P586-T794 HydrophobicContact CG-CG2 3.65Å
587	V	84.8	Confident	79.1	Confident	57 Å²	57	57.5 Å²	57.5	35%	0.345	31%	0.31	S	S	.	.			trans	-85.6	130.7	179.1	-175.5	0	0	0	0	111.1	V580 N595	V580-V587 PolarHBondContact O-N 3.42Å; V587-N595 VanDerWaalsContact CG1-ND2 3.33Å; V587-N595 WeakPolarHBondContact CG1-ND2 3.47Å; V587-N595 PolarHBondContact O-N 2.76Å; V587-N595 PolarHBondContact O-OD1 2.87Å
588	Y	80.3	Confident	79	Confident	71 Å²	71	57.4 Å²	57.4	28%	0.278	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.4	178.7	-73.4	-88	0	0	0	112.6	D353 P586 L590 G591 Y593 R594 T794	D353-Y588 WeakPolarHBondContact OD2-CE1 3.33Å; D353-Y588 PolarHBondContact OD2-OH 3.26Å; P586-Y588 HydrophobicContact CG-CE2 3.88Å; Y588-L590 PolarHBondContact O-N 2.66Å; Y588-G591 PolarHBondContact O-N 2.65Å; Y588-Y593 CarbonylContact C-O 3.59Å; Y588-Y593 WeakPolarHBondContact CA-O 3.23Å; Y588-R594 HydrophobicContact CD1-CB 4.13Å; Y588-R594 HydrophobicContact CE1-CB 3.84Å; Y588-T794 VanDerWaalsContact OH-CG2 3.24Å; Y588-T794 WeakPolarHBondContact OH-CG2 3.21Å
589	I	73.6	Confident	78.3	Confident	52 Å²	52	54.3 Å²	54.3	27%	0.267	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	132.2	163.8	-82.7	157.6	0	0	0	109.7	G591 K592 Y593 N595	I589-G591 PolarHBondContact O-N 3.2Å; I589-K592 PolarHBondContact O-N 3.22Å; I589-K592 VanDerWaalsContact O-N 3.07Å; I589-Y593 PolarHBondContact N-O 3.24Å; I589-Y593 PolarHBondContact O-N 3.49Å; I589-N595 VanDerWaalsContact CD1-OD1 3.26Å; I589-N595 WeakPolarHBondContact CD1-OD1 2.87Å; I589-N595 WeakPolarHBondContact CG1-OD1 3.35Å; I589-N595 PolarHBondContact N-OD1 3.43Å
590	L	72.1	Confident	77.6	Confident	146 Å²	146	50.6 Å²	50.6	76%	0.764	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	24.5	-179.9	-61.3	168.9	0	0	0	113.9	I476 Y588 K592	I476-L590 HydrophobicContact CD1-CD1 4.24Å; Y588-L590 PolarHBondContact O-N 2.66Å; L590-K592 PolarHBondContact O-N 2.91Å
591	G	72.6	Confident	76.8	Confident	71 Å²	71	49.5 Å²	49.5	73%	0.732	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	14.3	-177.5	0	0	0	0	0	115	Y588 I589	Y588-G591 PolarHBondContact O-N 2.65Å; I589-G591 PolarHBondContact O-N 3.2Å
592	K	70.6	Confident	76.4	Confident	150 Å²	150	48.4 Å²	48.4	65%	0.652	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.6	-30.3	-172.8	-176.2	171.5	177.5	178.6	0	115.4	I589 L590	I589-K592 PolarHBondContact O-N 3.22Å; I589-K592 VanDerWaalsContact O-N 3.07Å; L590-K592 PolarHBondContact O-N 2.91Å
593	Y	70.3	Confident	76.4	Confident	64 Å²	64	46.9 Å²	46.9	25%	0.251	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.3	-176.9	-56.8	-72.7	0	0	0	110.5	I476 Y588 I589	I476-Y593 HydrophobicContact CG2-CE2 4.49Å; Y588-Y593 CarbonylContact C-O 3.59Å; Y588-Y593 WeakPolarHBondContact CA-O 3.23Å; I589-Y593 PolarHBondContact N-O 3.24Å; I589-Y593 PolarHBondContact O-N 3.49Å
594	R	77.3	Confident	76.5	Confident	10 Å²	10	46.5 Å²	46.5	4%	0.038	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	140.2	175.1	177.6	169.1	165.2	-172.8	-6.7	110.3	P350 Q351 D353 L479 P586 Y588 E597	P350-R594 PolarHBondContact O-NH2 2.9Å; Q351-R594 PolarHBondContact O-NE 2.72Å; D353-R594 WeakPolarHBondContact OD1-CD 3.28Å; D353-R594 IonicContact OD1-CZ 2.75Å; D353-R594 IonicContact OD1-NE 3.5Å; D353-R594 IonicContact OD1-NH1 3.65Å; D353-R594 PolarHBondContact OD1-NH1 2.77Å; L479-R594 WeakPolarHBondContact CD2-O 3.4Å; P586-R594 HydrophobicContact CB-CG 4.27Å; Y588-R594 HydrophobicContact CD1-CB 4.13Å; Y588-R594 HydrophobicContact CE1-CB 3.84Å; R594-E597 IonicContact CZ-OE1 3.75Å; R594-E597 IonicContact NE-OE1 2.82Å; R594-E597 PolarHBondContact NE-OE1 3.12Å; R594-E597 IonicContact NH2-OE1 2.65Å; R594-E597 PolarHBondContact NH2-OE1 3.47Å
595	N	77.6	Confident	76.5	Confident	22 Å²	22	47.3 Å²	47.3	12%	0.118	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-68.2	148.8	-176.3	-69.8	3.4	0	0	0	112.6	I579 V580 V587 I589 E597	I579-N595 PolarHBondContact O-ND2 3.2Å; V580-N595 HydrophobicContact CG1-CB 4.16Å; V587-N595 VanDerWaalsContact CG1-ND2 3.33Å; V587-N595 WeakPolarHBondContact CG1-ND2 3.47Å; V587-N595 PolarHBondContact O-N 2.76Å; V587-N595 PolarHBondContact O-OD1 2.87Å; I589-N595 VanDerWaalsContact CD1-OD1 3.26Å; I589-N595 WeakPolarHBondContact CD1-OD1 2.87Å; I589-N595 WeakPolarHBondContact CG1-OD1 3.35Å; I589-N595 PolarHBondContact N-OD1 3.43Å; N595-E597 PolarHBondContact O-N 2.99Å
596	E	73.7	Confident	76.4	Confident	24 Å²	24	41.3 Å²	41.3	11%	0.112	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-68.3	119.8	177.7	-68.7	-165.9	-170.1	0	0	112.5	R478 L479 K576 G577	R478-E596 WeakPolarHBondContact CD-OE1 3.37Å; R478-E596 WeakPolarHBondContact CG-OE1 3.37Å; R478-E596 IonicContact CZ-OE2 3.93Å; R478-E596 IonicContact NE-OE1 2.69Å; R478-E596 IonicContact NE-OE2 3.21Å; R478-E596 IonicContact NH1-OE1 2.82Å; R478-E596 IonicContact NH1-OE2 3.92Å; R478-E596 PolarHBondContact NH1-OE2 3.5Å; L479-E596 HydrophobicContact CD2-CG 3.62Å; L479-E596 HydrophobicContact CG-CG 4.07Å; K576-E596 HydrophobicContact CD-CB 4.23Å; K576-E596 WeakPolarHBondContact CE-OE2 3.49Å; K576-E596 HydrophobicContact CG-CB 4.16Å; K576-E596 IonicContact NZ-OE2 3.85Å; K576-E596 PolarHBondContact NZ-OE2 3.45Å; G577-E596 WeakPolarHBondContact CA-O 3.43Å; G577-E596 PolarHBondContact N-O 2.87Å
597	E	78.5	Confident	76.7	Confident	53 Å²	53	40.6 Å²	40.6	25%	0.248	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-76.8	156.8	164.6	-68.1	167.2	-150.7	0	0	110.7	Q351 K576 V580 R594 N595	Q351-E597 WeakPolarHBondContact CG-OE2 3.31Å; K576-E597 WeakPolarHBondContact CE-O 3.11Å; K576-E597 PolarHBondContact NZ-O 3.24Å; V580-E597 HydrophobicContact CB-CG 4.07Å; V580-E597 HydrophobicContact CG1-CG 3.78Å; V580-E597 HydrophobicContact CG2-CG 4.36Å; R594-E597 IonicContact CZ-OE1 3.75Å; R594-E597 IonicContact NE-OE1 2.82Å; R594-E597 PolarHBondContact NE-OE1 3.12Å; R594-E597 IonicContact NH2-OE1 2.65Å; R594-E597 PolarHBondContact NH2-OE1 3.47Å; N595-E597 PolarHBondContact O-N 2.99Å
598	C	77.8	Confident	76.8	Confident	19 Å²	19	38.3 Å²	38.3	13%	0.128	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-77.4	163	170.4	-67.6	0	0	0	0	111.2	Q351 C603	Q351-C598 PolarHBondContact NE2-O 3.43Å; C598-C603 VanDerWaalsContact CA-SG 3.56Å; C598-C603 HydrophobicContact CB-CB 4.13Å; C598-C603 WeakPolarHBondContact CB-SG 3.49Å; C598-C603 WeakPolarHBondContact SG-CB 3.42Å; C598-C603 CovalentContact SG-SG 2.04Å; C598-C603 PolarHBondContact SG-SG 2.66Å
599	D	69.7	Low	77	Confident	27 Å²	27	37.4 Å²	37.4	14%	0.144	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-51.8	148.4	156	-170.6	-76.5	0	0	0	110.7	G601 G602	D599-G601 PolarHBondContact O-N 2.85Å; D599-G601 PolarHBondContact OD1-N 2.91Å; D599-G602 WeakPolarHBondContact O-CA 3.49Å; D599-G602 PolarHBondContact O-N 3.35Å
600	P	65.8	Low	77.5	Confident	22 Å²	22	35.9 Å²	35.9	14%	0.143	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-36.7	172.1	-28.7	35.8	0	0	0	114.6	W358 L360 T363 G602 R811	W358-P600 HydrophobicContact CH2-CB 4.01Å; W358-P600 HydrophobicContact CH2-CG 3.06Å; W358-P600 HydrophobicContact CZ2-CG 3.69Å; W358-P600 HydrophobicContact CZ3-CG 3.74Å; L360-P600 HydrophobicContact CD1-CB 4.02Å; T363-P600 HydrophobicContact CG2-CB 4.33Å; T363-P600 HydrophobicContact CG2-CG 3.93Å; P600-G602 PolarHBondContact O-N 2.96Å; P600-R811 PolarHBondContact O-NH1 3.11Å
601	G	64.1	Low	78.2	Confident	5 Å²	5	29.2 Å²	29.2	5%	0.052	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	8.3	170.6	0	0	0	0	0	114.4	L370 D599	L370-G601 WeakPolarHBondContact CD1-O 3.47Å; L370-G601 WeakPolarHBondContact CD2-O 3.44Å; D599-G601 PolarHBondContact O-N 2.85Å; D599-G601 PolarHBondContact OD1-N 2.91Å
602	G	75.8	Confident	78.8	Confident	4 Å²	4	27.6 Å²	27.6	4%	0.041	14%	0.143	C	C	.	.			trans	80.5	163.6	179.8	0	0	0	0	0	113.7	D599 P600 L604	D599-G602 WeakPolarHBondContact O-CA 3.49Å; D599-G602 PolarHBondContact O-N 3.35Å; P600-G602 PolarHBondContact O-N 2.96Å; G602-L604 PolarHBondContact O-N 3.49Å; G602-L604 VanDerWaalsContact O-N 3.07Å
603	C	85.2	Confident	79.4	Confident	3 Å²	3	23 Å²	23	2%	0.02	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	4.8	-179.8	-76.4	0	0	0	0	114.3	I572 K576 C598 E606 L607	I572-C603 HydrophobicContact CG2-CB 4.2Å; K576-C603 VanDerWaalsContact CG-SG 3.59Å; C598-C603 VanDerWaalsContact CA-SG 3.56Å; C598-C603 HydrophobicContact CB-CB 4.13Å; C598-C603 WeakPolarHBondContact CB-SG 3.49Å; C598-C603 WeakPolarHBondContact SG-CB 3.42Å; C598-C603 CovalentContact SG-SG 2.04Å; C598-C603 PolarHBondContact SG-SG 2.66Å; C603-E606 PolarHBondContact O-N 3.38Å; C603-L607 PolarHBondContact O-N 2.67Å
604	L	86.8	Confident	80	Confident	3 Å²	3	20 Å²	20	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-67	-39	-175.9	-162	73	0	0	0	112.2	L370 F373 D374 G602 L607 T608 I746 T750	L370-L604 HydrophobicContact CD1-CB 3.84Å; L370-L604 HydrophobicContact CD1-CD2 4.01Å; L370-L604 HydrophobicContact CD1-CG 4.47Å; F373-L604 HydrophobicContact CB-CD2 4.42Å; D374-L604 HydrophobicContact CB-CD2 3.91Å; G602-L604 PolarHBondContact O-N 3.49Å; G602-L604 VanDerWaalsContact O-N 3.07Å; L604-L607 WeakPolarHBondContact O-CB 3.27Å; L604-L607 PolarHBondContact O-N 3.38Å; L604-T608 WeakPolarHBondContact O-CG2 3.35Å; L604-T608 PolarHBondContact O-N 3.23Å; L604-I746 HydrophobicContact CD1-CG2 4.15Å; L604-T750 HydrophobicContact CB-CG2 4.47Å; L604-T750 HydrophobicContact CD1-CG2 3.94Å
605	I	83.8	Confident	80.4	Confident	28 Å²	28	20.3 Å²	20.3	14%	0.144	12%	0.116	C	C	.	.	H	α-helix	trans	-70.2	-36.3	175.9	-67.6	173.9	0	0	0	111.6	T366 T369 L370 L607 T608 T609	T366-I605 WeakPolarHBondContact O-CD1 3.29Å; T369-I605 HydrophobicContact CG2-CD1 4.3Å; L370-I605 HydrophobicContact CB-CD1 3.94Å; L370-I605 HydrophobicContact CD1-CD1 4.2Å; L370-I605 HydrophobicContact CD1-CG1 3.94Å; I605-L607 PolarHBondContact O-N 3.44Å; I605-T608 PolarHBondContact O-N 3Å; I605-T608 PolarHBondContact O-OG1 2.69Å; I605-T609 HydrophobicContact CG2-CG2 4.24Å; I605-T609 WeakPolarHBondContact O-CB 3.43Å; I605-T609 WeakPolarHBondContact O-CG2 3.37Å; I605-T609 PolarHBondContact O-N 2.94Å; I605-T609 PolarHBondContact O-OG1 3.13Å
606	E	82.6	Confident	80.8	Confident	21 Å²	21	20.4 Å²	20.4	10%	0.098	12%	0.122	C	C	.	.	H	α-helix	trans	-60	-39.3	170.6	-72.9	-170.5	-128.4	0	0	111	R478 I572 K576 C603 T609 Q610	R478-E606 IonicContact CZ-OE2 2.86Å; R478-E606 IonicContact NH1-OE2 3.49Å; R478-E606 PolarHBondContact NH1-OE2 2.94Å; R478-E606 VanDerWaalsContact NH1-OE2 3.08Å; R478-E606 IonicContact NH2-OE2 3.08Å; R478-E606 PolarHBondContact NH2-OE2 3.43Å; I572-E606 HydrophobicContact CG2-CB 3.85Å; K576-E606 VanDerWaalsContact CE-OE1 3.24Å; K576-E606 WeakPolarHBondContact CE-OE1 3.45Å; K576-E606 IonicContact NZ-OE1 2.71Å; K576-E606 PolarHBondContact NZ-OE1 3.3Å; K576-E606 IonicContact NZ-OE2 2.78Å; K576-E606 PolarHBondContact NZ-OE2 3.1Å; C603-E606 PolarHBondContact O-N 3.38Å; E606-T609 PolarHBondContact O-OG1 3.32Å; E606-Q610 WeakPolarHBondContact O-CB 3.42Å; E606-Q610 PolarHBondContact O-N 3.15Å
607	L	87.6	Confident	81.2	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-67.9	-47.5	177.2	-176.6	60.8	0	0	0	112	C569 I572 A573 C603 L604 I605 T609 Q610 L611 F684 I746 T750	C569-L607 HydrophobicContact CB-CD1 3.86Å; C569-L607 WeakPolarHBondContact O-CD1 3.41Å; I572-L607 HydrophobicContact CB-CD1 4.49Å; I572-L607 HydrophobicContact CG2-CB 4Å; A573-L607 HydrophobicContact CB-CD1 4.46Å; A573-L607 HydrophobicContact CB-CD2 3.92Å; C603-L607 PolarHBondContact O-N 2.67Å; L604-L607 WeakPolarHBondContact O-CB 3.27Å; L604-L607 PolarHBondContact O-N 3.38Å; I605-L607 PolarHBondContact O-N 3.44Å; L607-T609 PolarHBondContact O-N 2.61Å; L607-Q610 PolarHBondContact O-N 3.44Å; L607-L611 HydrophobicContact CD1-CD1 3.95Å; L607-L611 HydrophobicContact CD1-CG 4.24Å; L607-L611 HydrophobicContact CG-CD1 3.81Å; L607-L611 WeakPolarHBondContact O-CB 2.77Å; L607-L611 WeakPolarHBondContact O-CD1 3.3Å; L607-L611 WeakPolarHBondContact O-CG 3.48Å; L607-L611 PolarHBondContact O-N 2.99Å; L607-F684 HydrophobicContact CD1-CD1 4.23Å; L607-F684 HydrophobicContact CD1-CE1 4.49Å; L607-F684 HydrophobicContact CD2-CD1 4.46Å; L607-I746 HydrophobicContact CD2-CD1 4.5Å; L607-T750 HydrophobicContact CD2-CG2 4.39Å
608	T	87.8	Confident	81.3	Confident	9 Å²	9	18.7 Å²	18.7	6%	0.055	12%	0.122	C	C	.	.	H	α-helix	trans	-65.9	-38.7	179.7	60.1	0	0	0	0	112.6	L604 I605 L611 A612 S687 F688	L604-T608 WeakPolarHBondContact O-CG2 3.35Å; L604-T608 PolarHBondContact O-N 3.23Å; I605-T608 PolarHBondContact O-N 3Å; I605-T608 PolarHBondContact O-OG1 2.69Å; T608-L611 PolarHBondContact O-N 3.44Å; T608-A612 VanDerWaalsContact O-CB 3.32Å; T608-A612 WeakPolarHBondContact O-CB 3.44Å; T608-A612 PolarHBondContact O-N 2.89Å; T608-S687 WeakPolarHBondContact CG2-O 3.1Å; T608-F688 HydrophobicContact CG2-CB 4.09Å; T608-F688 HydrophobicContact CG2-CD2 4.38Å
609	T	83.1	Confident	81.8	Confident	52 Å²	52	18.4 Å²	18.4	32%	0.319	12%	0.121	S	C	.	.	H	α-helix	trans	-68.8	-43.4	176.3	52.2	0	0	0	0	112	I605 E606 L607 L611 A612 I613	I605-T609 HydrophobicContact CG2-CG2 4.24Å; I605-T609 WeakPolarHBondContact O-CB 3.43Å; I605-T609 WeakPolarHBondContact O-CG2 3.37Å; I605-T609 PolarHBondContact O-N 2.94Å; I605-T609 PolarHBondContact O-OG1 3.13Å; E606-T609 PolarHBondContact O-OG1 3.32Å; L607-T609 PolarHBondContact O-N 2.61Å; T609-L611 PolarHBondContact O-N 3.4Å; T609-A612 PolarHBondContact O-N 2.91Å; T609-I613 WeakPolarHBondContact O-CB 3.49Å; T609-I613 WeakPolarHBondContact O-CD1 3.4Å; T609-I613 VanDerWaalsContact O-CG1 3.23Å; T609-I613 WeakPolarHBondContact O-CG1 3.32Å; T609-I613 PolarHBondContact O-N 2.91Å
610	Q	84.1	Confident	82.6	Confident	20 Å²	20	22.5 Å²	22.5	9%	0.093	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-44.2	173.1	-177.1	75.5	-12.3	0	0	111.6	I572 E606 L607 I613 I614	I572-Q610 HydrophobicContact CD1-CB 3.93Å; I572-Q610 HydrophobicContact CD1-CG 3.83Å; E606-Q610 WeakPolarHBondContact O-CB 3.42Å; E606-Q610 PolarHBondContact O-N 3.15Å; L607-Q610 PolarHBondContact O-N 3.44Å; Q610-I613 PolarHBondContact O-N 3.46Å; Q610-I614 HydrophobicContact CG-CD1 3.92Å; Q610-I614 WeakPolarHBondContact O-CG1 3.25Å; Q610-I614 PolarHBondContact O-N 3.28Å
611	L	87.6	Confident	83.5	Confident	7 Å²	7	27.5 Å²	27.5	4%	0.037	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-45.1	177.1	-74.3	164.3	0	0	0	111.8	C569 L607 T608 T609 I613 I614 M615 F680 F684 S687	C569-L611 HydrophobicContact CB-CD2 4.24Å; L607-L611 HydrophobicContact CD1-CD1 3.95Å; L607-L611 HydrophobicContact CD1-CG 4.24Å; L607-L611 HydrophobicContact CG-CD1 3.81Å; L607-L611 WeakPolarHBondContact O-CB 2.77Å; L607-L611 WeakPolarHBondContact O-CD1 3.3Å; L607-L611 WeakPolarHBondContact O-CG 3.48Å; L607-L611 PolarHBondContact O-N 2.99Å; T608-L611 PolarHBondContact O-N 3.44Å; T609-L611 PolarHBondContact O-N 3.4Å; L611-I613 PolarHBondContact O-N 2.79Å; L611-I614 PolarHBondContact O-N 3.5Å; L611-M615 WeakPolarHBondContact O-CB 3.41Å; L611-M615 PolarHBondContact O-N 2.99Å; L611-F680 HydrophobicContact CD2-CD1 3.7Å; L611-F680 HydrophobicContact CD2-CE1 4.04Å; L611-F684 HydrophobicContact CD1-CB 3.5Å; L611-F684 HydrophobicContact CD1-CD1 4.31Å; L611-F684 HydrophobicContact CD1-CG 3.94Å; L611-F684 HydrophobicContact CD2-CB 4.08Å; L611-F684 HydrophobicContact CD2-CD1 4.48Å; L611-F684 HydrophobicContact CD2-CD2 3.8Å; L611-F684 HydrophobicContact CD2-CE2 4.42Å; L611-F684 HydrophobicContact CD2-CG 3.86Å; L611-F684 HydrophobicContact CG-CB 4.47Å; L611-S687 WeakPolarHBondContact CD1-OG 3.33Å
612	A	85.1	Confident	84.5	Confident	36 Å²	36	28 Å²	28	30%	0.298	16%	0.159	S	C	.	.	H	α-helix	trans	-63	-40.6	177.2	0	0	0	0	0	112.2	T608 T609 G616	T608-A612 VanDerWaalsContact O-CB 3.32Å; T608-A612 WeakPolarHBondContact O-CB 3.44Å; T608-A612 PolarHBondContact O-N 2.89Å; T609-A612 PolarHBondContact O-N 2.91Å; A612-G616 WeakPolarHBondContact O-CA 3.46Å; A612-G616 PolarHBondContact O-N 3.45Å
613	I	82.8	Confident	85.1	Confident	55 Å²	55	28.7 Å²	28.7	28%	0.282	16%	0.162	S	C	.	.	H	α-helix	trans	-65.7	-47	176.3	-69.7	165.8	0	0	0	111	T609 Q610 L611 G617	T609-I613 WeakPolarHBondContact O-CB 3.49Å; T609-I613 WeakPolarHBondContact O-CD1 3.4Å; T609-I613 VanDerWaalsContact O-CG1 3.23Å; T609-I613 WeakPolarHBondContact O-CG1 3.32Å; T609-I613 PolarHBondContact O-N 2.91Å; Q610-I613 PolarHBondContact O-N 3.46Å; L611-I613 PolarHBondContact O-N 2.79Å; I613-G617 WeakPolarHBondContact O-CA 3.43Å; I613-G617 PolarHBondContact O-N 2.97Å
614	I	83.7	Confident	85.3	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-70.2	-48.5	-179.5	-65.9	174	0	0	0	110.9	Y565 Q610 L611 K618 F680	Y565-I614 HydrophobicContact CD1-CG2 4.21Å; Q610-I614 HydrophobicContact CG-CD1 3.92Å; Q610-I614 WeakPolarHBondContact O-CG1 3.25Å; Q610-I614 PolarHBondContact O-N 3.28Å; L611-I614 PolarHBondContact O-N 3.5Å; I614-K618 WeakPolarHBondContact O-CB 3.03Å; I614-K618 PolarHBondContact O-N 3.18Å; I614-F680 HydrophobicContact CB-CZ 4.48Å; I614-F680 HydrophobicContact CG2-CE1 4.15Å; I614-F680 HydrophobicContact CG2-CE2 4.16Å; I614-F680 HydrophobicContact CG2-CZ 3.49Å; I614-F680 VanDerWaalsContact CG2-CZ 3.49Å
615	M	86.2	Confident	85.3	Confident	16 Å²	16	36.6 Å²	36.6	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-66.5	-52.2	-177.2	-176.9	177.7	177	0	0	111.5	L611 A619 Q677 F680 V681 A691 L694 A695	L611-M615 WeakPolarHBondContact O-CB 3.41Å; L611-M615 PolarHBondContact O-N 2.99Å; M615-A619 VanDerWaalsContact O-CB 3.23Å; M615-A619 WeakPolarHBondContact O-CB 3.37Å; M615-A619 PolarHBondContact O-N 3.31Å; M615-Q677 HydrophobicContact CE-CG 4.16Å; M615-F680 HydrophobicContact SD-CB 4.24Å; M615-V681 HydrophobicContact CE-CG2 4Å; M615-A691 WeakPolarHBondContact CE-O 3.49Å; M615-L694 HydrophobicContact CE-CB 4.16Å; M615-A695 HydrophobicContact CE-CB 3.74Å
616	G	84.3	Confident	85.5	Confident	24 Å²	24	37.3 Å²	37.3	25%	0.247	20%	0.203	C	C	.	.	H	α-helix	trans	-69.2	-41.7	178.9	0	0	0	0	0	112.7	A612 A619 I620	A612-G616 WeakPolarHBondContact O-CA 3.46Å; A612-G616 PolarHBondContact O-N 3.45Å; G616-A619 PolarHBondContact O-N 3.44Å; G616-I620 WeakPolarHBondContact O-CB 3.45Å; G616-I620 VanDerWaalsContact O-CG1 3.26Å; G616-I620 WeakPolarHBondContact O-CG1 3.35Å; G616-I620 PolarHBondContact O-N 3.08Å
617	G	82.6	Confident	85.8	Confident	30 Å²	30	39.1 Å²	39.1	31%	0.309	22%	0.216	S	C	.	.	H	α-helix	trans	-64	-42.9	177.4	0	0	0	0	0	112.8	I613 W621	I613-G617 WeakPolarHBondContact O-CA 3.43Å; I613-G617 PolarHBondContact O-N 2.97Å; G617-W621 WeakPolarHBondContact O-CB 3.06Å; G617-W621 PolarHBondContact O-N 3.15Å
618	K	81.9	Confident	85.9	Confident	10 Å²	10	43.6 Å²	43.6	4%	0.043	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-51.9	172.7	-175.1	-166.1	-179.9	-126.4	0	111.1	F520 Y565 I614 I620 W621 N622 E673	F520-K618 HydrophobicContact CE2-CB 4.21Å; Y565-K618 HydrophobicContact CE1-CD 4.06Å; I614-K618 WeakPolarHBondContact O-CB 3.03Å; I614-K618 PolarHBondContact O-N 3.18Å; K618-I620 VanDerWaalsContact C-N 3.34Å; K618-I620 PolarHBondContact O-N 3.31Å; K618-W621 PolarHBondContact O-N 3.21Å; K618-N622 WeakPolarHBondContact O-CB 3.25Å; K618-N622 PolarHBondContact O-N 3.49Å; K618-E673 VanDerWaalsContact CE-OE1 3.24Å; K618-E673 WeakPolarHBondContact CE-OE1 3.33Å; K618-E673 PolarHBondContact NZ-O 2.71Å; K618-E673 IonicContact NZ-OE1 2.77Å; K618-E673 PolarHBondContact NZ-OE1 3.34Å; K618-E673 IonicContact NZ-OE2 2.74Å
619	A	87	Confident	85.9	Confident	14 Å²	14	46.6 Å²	46.6	12%	0.116	25%	0.254	C	S	.	.	H	α-helix	trans	-55.2	-47.9	-178.7	0	0	0	0	0	112.2	M615 G616 N623 N698	M615-A619 VanDerWaalsContact O-CB 3.23Å; M615-A619 WeakPolarHBondContact O-CB 3.37Å; M615-A619 PolarHBondContact O-N 3.31Å; G616-A619 PolarHBondContact O-N 3.44Å; A619-N623 WeakPolarHBondContact O-CB 3.38Å; A619-N623 PolarHBondContact O-N 3.38Å; A619-N623 PolarHBondContact O-ND2 2.88Å; A619-N698 WeakPolarHBondContact CB-OD1 3.45Å
620	I	86.5	Confident	86.2	Confident	113 Å²	113	44.4 Å²	44.4	58%	0.579	24%	0.241	S	C	*	.	H	α-helix	trans	-66.6	-46.8	177.3	-67.2	166.9	0	0	0	111.2	G616 K618 N622 I624	G616-I620 WeakPolarHBondContact O-CB 3.45Å; G616-I620 VanDerWaalsContact O-CG1 3.26Å; G616-I620 WeakPolarHBondContact O-CG1 3.35Å; G616-I620 PolarHBondContact O-N 3.08Å; K618-I620 VanDerWaalsContact C-N 3.34Å; K618-I620 PolarHBondContact O-N 3.31Å; I620-N622 PolarHBondContact O-N 3.07Å; I620-I624 HydrophobicContact CG2-CD1 3.72Å; I620-I624 WeakPolarHBondContact O-CB 3.46Å; I620-I624 VanDerWaalsContact O-CG1 3.25Å; I620-I624 WeakPolarHBondContact O-CG1 3.38Å; I620-I624 PolarHBondContact O-N 3.2Å
621	W	84.7	Confident	86.4	Confident	126 Å²	126	49.7 Å²	49.7	48%	0.477	26%	0.26	S	S	.	.	H	α-helix	trans	-61.4	-45.2	-179.7	179.9	-91.9	0	0	0	111.9	F520 G617 K618 I624 Q625	F520-W621 HydrophobicContact CZ-CB 4.06Å; F520-W621 HydrophobicContact CZ-CG 4.25Å; G617-W621 WeakPolarHBondContact O-CB 3.06Å; G617-W621 PolarHBondContact O-N 3.15Å; K618-W621 PolarHBondContact O-N 3.21Å; W621-I624 PolarHBondContact O-N 3.22Å; W621-Q625 VanDerWaalsContact NE1-OE1 3.11Å; W621-Q625 WeakPolarHBondContact O-CB 3.31Å; W621-Q625 PolarHBondContact O-N 2.85Å
622	N	85.9	Confident	86.5	Confident	15 Å²	15	51.5 Å²	51.5	8%	0.08	27%	0.271	C	S	.	.	H	α-helix	trans	-67.7	-49.2	-178.5	-71.8	-4.8	0	0	0	110.2	K618 I620 I624 Q625 E626 E673	K618-N622 WeakPolarHBondContact O-CB 3.25Å; K618-N622 PolarHBondContact O-N 3.49Å; I620-N622 PolarHBondContact O-N 3.07Å; N622-I624 VanDerWaalsContact C-N 3.27Å; N622-I624 PolarHBondContact O-N 3.46Å; N622-Q625 CarbonylContact O-C 3.57Å; N622-Q625 WeakPolarHBondContact O-CB 3.35Å; N622-Q625 PolarHBondContact O-N 3.2Å; N622-E626 VanDerWaalsContact O-CB 3.25Å; N622-E626 WeakPolarHBondContact O-CB 3.25Å; N622-E626 WeakPolarHBondContact O-CG 3.19Å; N622-E626 PolarHBondContact O-N 3.11Å; N622-E673 VanDerWaalsContact ND2-CD 3.32Å; N622-E673 PolarHBondContact ND2-OE1 3.02Å; N622-E673 PolarHBondContact ND2-OE2 3.34Å
623	N	88.9	Confident	86.7	Confident	19 Å²	19	54.6 Å²	54.6	10%	0.102	28%	0.278	C	S	.	.	H	α-helix	trans	-53.6	-40.7	173.4	-91.3	-93.5	0	0	0	113.3	A619 V627 N698 I701 E702 V705	A619-N623 WeakPolarHBondContact O-CB 3.38Å; A619-N623 PolarHBondContact O-N 3.38Å; A619-N623 PolarHBondContact O-ND2 2.88Å; N623-V627 WeakPolarHBondContact O-CG2 3.15Å; N623-V627 PolarHBondContact O-N 3.05Å; N623-V627 VanDerWaalsContact O-N 3.16Å; N623-N698 PolarHBondContact ND2-OD1 3.03Å; N623-I701 VanDerWaalsContact OD1-CG2 3.27Å; N623-I701 WeakPolarHBondContact OD1-CG2 3.27Å; N623-E702 PolarHBondContact ND2-OE2 3.39Å; N623-V705 WeakPolarHBondContact OD1-CG2 3.4Å
624	I	88.8	Confident	86.9	Confident	91 Å²	91	52.1 Å²	52.1	47%	0.467	27%	0.266	S	S	.	.	H	α-helix	trans	-64.9	-49.1	174.3	-71.1	168.7	0	0	0	110.8	I620 W621 N622 E626 V627 L628	I620-I624 HydrophobicContact CG2-CD1 3.72Å; I620-I624 WeakPolarHBondContact O-CB 3.46Å; I620-I624 VanDerWaalsContact O-CG1 3.25Å; I620-I624 WeakPolarHBondContact O-CG1 3.38Å; I620-I624 PolarHBondContact O-N 3.2Å; W621-I624 PolarHBondContact O-N 3.22Å; N622-I624 VanDerWaalsContact C-N 3.27Å; N622-I624 PolarHBondContact O-N 3.46Å; I624-E626 VanDerWaalsContact C-N 3.33Å; I624-E626 PolarHBondContact O-N 3.09Å; I624-V627 PolarHBondContact O-N 2.99Å; I624-L628 WeakPolarHBondContact O-CB 3.23Å; I624-L628 PolarHBondContact O-N 3.32Å
625	Q	86.6	Confident	87.1	Confident	82 Å²	82	56.4 Å²	56.4	38%	0.383	29%	0.288	S	S	.	.	H	α-helix	trans	-60.3	-43.6	179.8	-171.1	178.2	-79.2	0	0	111.3	W621 N622 L629	W621-Q625 VanDerWaalsContact NE1-OE1 3.11Å; W621-Q625 WeakPolarHBondContact O-CB 3.31Å; W621-Q625 PolarHBondContact O-N 2.85Å; N622-Q625 CarbonylContact O-C 3.57Å; N622-Q625 WeakPolarHBondContact O-CB 3.35Å; N622-Q625 PolarHBondContact O-N 3.2Å; Q625-L629 HydrophobicContact CG-CB 4.28Å; Q625-L629 HydrophobicContact CG-CD1 3.88Å; Q625-L629 WeakPolarHBondContact O-CA 3.24Å; Q625-L629 WeakPolarHBondContact O-CB 3Å; Q625-L629 PolarHBondContact O-N 3.5Å
626	E	87.3	Confident	87.2	Confident	42 Å²	42	60.3 Å²	60.3	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-43.9	-179.8	-72.3	-109.6	107.2	0	0	113.8	N622 I624 P630 V705 K709	N622-E626 VanDerWaalsContact O-CB 3.25Å; N622-E626 WeakPolarHBondContact O-CB 3.25Å; N622-E626 WeakPolarHBondContact O-CG 3.19Å; N622-E626 PolarHBondContact O-N 3.11Å; I624-E626 VanDerWaalsContact C-N 3.33Å; I624-E626 PolarHBondContact O-N 3.09Å; E626-P630 WeakPolarHBondContact O-CD 3.47Å; E626-P630 WeakPolarHBondContact O-CG 3.49Å; E626-V705 HydrophobicContact CB-CG1 3.81Å; E626-K709 IonicContact OE1-NZ 3.8Å; E626-K709 PolarHBondContact OE1-NZ 2.79Å; E626-K709 WeakPolarHBondContact OE2-CD 3.4Å; E626-K709 IonicContact OE2-NZ 3.6Å; E626-K709 PolarHBondContact OE2-NZ 2.67Å
627	V	89.4	Confident	87.1	Confident	60 Å²	60	62.4 Å²	62.4	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-76.8	-46.2	177.6	174.9	0	0	0	0	110.6	N623 I624 W631 V705 W708	N623-V627 WeakPolarHBondContact O-CG2 3.15Å; N623-V627 PolarHBondContact O-N 3.05Å; N623-V627 VanDerWaalsContact O-N 3.16Å; I624-V627 PolarHBondContact O-N 2.99Å; V627-W631 WeakPolarHBondContact O-CB 3.28Å; V627-V705 HydrophobicContact CG2-CG1 3.86Å; V627-V705 HydrophobicContact CG2-CG2 4.04Å; V627-W708 HydrophobicContact CB-CZ3 4.45Å; V627-W708 HydrophobicContact CG1-CH2 4.19Å; V627-W708 HydrophobicContact CG1-CZ3 4.12Å
628	L	89.6	Confident	87	Confident	93 Å²	93	66.2 Å²	66.2	49%	0.487	32%	0.316	S	S	.	.	H	α-helix	trans	-82.8	-42.3	-167.7	-168.9	150.3	0	0	0	113	I624 W631 V632	I624-L628 WeakPolarHBondContact O-CB 3.23Å; I624-L628 PolarHBondContact O-N 3.32Å; L628-W631 PolarHBondContact O-N 3.39Å; L628-V632 HydrophobicContact CD2-CB 4.38Å; L628-V632 HydrophobicContact CD2-CG2 3.59Å; L628-V632 HydrophobicContact CG-CG2 3.97Å; L628-V632 VanDerWaalsContact O-CB 3.28Å; L628-V632 WeakPolarHBondContact O-CB 3.18Å; L628-V632 VanDerWaalsContact O-CG2 3.3Å; L628-V632 WeakPolarHBondContact O-CG2 3.35Å; L628-V632 PolarHBondContact O-N 3.26Å
629	L	88.4	Confident	87	Confident	72 Å²	72	74.3 Å²	74.3	38%	0.377	35%	0.347	S	S	.	.	H	α-helix	trans	-63.5	-48.9	-174.1	-172.7	154.4	0	0	0	113.6	Q625 K633	Q625-L629 HydrophobicContact CG-CB 4.28Å; Q625-L629 HydrophobicContact CG-CD1 3.88Å; Q625-L629 WeakPolarHBondContact O-CA 3.24Å; Q625-L629 WeakPolarHBondContact O-CB 3Å; Q625-L629 PolarHBondContact O-N 3.5Å; L629-K633 HydrophobicContact CD2-CD 3.87Å; L629-K633 VanDerWaalsContact CD2-CE 3.45Å; L629-K633 WeakPolarHBondContact O-CB 3.31Å; L629-K633 VanDerWaalsContact O-CG 3.28Å; L629-K633 WeakPolarHBondContact O-CG 3.26Å; L629-K633 PolarHBondContact O-N 2.95Å
630	P	88.6	Confident	86.6	Confident	6 Å²	6	78.5 Å²	78.5	4%	0.039	37%	0.374	C	S	.	.	H	α-helix	trans	-73	-33.3	177.3	30.5	-34.5	0	0	0	111.9	E626 K633 N634 Q660 Q713	E626-P630 WeakPolarHBondContact O-CD 3.47Å; E626-P630 WeakPolarHBondContact O-CG 3.49Å; P630-K633 PolarHBondContact O-N 2.9Å; P630-N634 WeakPolarHBondContact O-CB 3.43Å; P630-N634 VanDerWaalsContact O-CG 3.27Å; P630-N634 PolarHBondContact O-N 3.47Å; P630-N634 PolarHBondContact O-ND2 3.05Å; P630-Q660 HydrophobicContact CB-CG 4.32Å; P630-Q713 HydrophobicContact CB-CB 4.01Å; P630-Q713 HydrophobicContact CG-CB 4.35Å; P630-Q713 HydrophobicContact CG-CG 4.47Å
631	W	88.3	Confident	85.7	Confident	131 Å²	131	75.7 Å²	75.7	50%	0.496	36%	0.363	S	S	.	.	H	α-helix	trans	-64.1	-47.9	175.2	180	80.2	0	0	0	112	V627 L628 N634 L635 W708	V627-W631 WeakPolarHBondContact O-CB 3.28Å; L628-W631 PolarHBondContact O-N 3.39Å; W631-N634 PolarHBondContact O-N 2.72Å; W631-L635 HydrophobicContact CH2-CD2 3.81Å; W631-L635 HydrophobicContact CZ2-CD2 4.17Å; W631-L635 HydrophobicContact CZ3-CD2 4.11Å; W631-L635 WeakPolarHBondContact O-CB 3.29Å; W631-L635 PolarHBondContact O-N 2.95Å; W631-W708 HydrophobicContact CB-CH2 4.45Å
632	V	90.9	Very high	84.6	Confident	45 Å²	45	79.4 Å²	79.4	27%	0.273	38%	0.377	S	S	.	.	H	α-helix	trans	-63.2	-41.1	174.8	168.7	0	0	0	0	111	L628 L635 I636	L628-V632 HydrophobicContact CD2-CB 4.38Å; L628-V632 HydrophobicContact CD2-CG2 3.59Å; L628-V632 HydrophobicContact CG-CG2 3.97Å; L628-V632 VanDerWaalsContact O-CB 3.28Å; L628-V632 WeakPolarHBondContact O-CB 3.18Å; L628-V632 VanDerWaalsContact O-CG2 3.3Å; L628-V632 WeakPolarHBondContact O-CG2 3.35Å; L628-V632 PolarHBondContact O-N 3.26Å; V632-L635 PolarHBondContact O-N 3.22Å; V632-I636 HydrophobicContact CG1-CD1 3.57Å; V632-I636 HydrophobicContact CG1-CG1 4.17Å; V632-I636 WeakPolarHBondContact O-CB 3.44Å; V632-I636 VanDerWaalsContact O-CG1 3.28Å; V632-I636 WeakPolarHBondContact O-CG1 3.14Å; V632-I636 PolarHBondContact O-N 3.45Å
633	K	88.3	Confident	83.1	Confident	102 Å²	102	82.9 Å²	82.9	44%	0.443	40%	0.398	S	S	.	.	H	α-helix	trans	-61.7	-43.8	174.8	-77.3	-179.8	-177.4	178.5	0	112.5	L629 P630 L635 F637 Q660	L629-K633 HydrophobicContact CD2-CD 3.87Å; L629-K633 VanDerWaalsContact CD2-CE 3.45Å; L629-K633 WeakPolarHBondContact O-CB 3.31Å; L629-K633 VanDerWaalsContact O-CG 3.28Å; L629-K633 WeakPolarHBondContact O-CG 3.26Å; L629-K633 PolarHBondContact O-N 2.95Å; P630-K633 PolarHBondContact O-N 2.9Å; K633-L635 VanDerWaalsContact C-N 3.35Å; K633-F637 VanDerWaalsContact O-CB 3.28Å; K633-F637 WeakPolarHBondContact O-CB 3.2Å; K633-F637 PolarHBondContact O-N 3.17Å; K633-Q660 HydrophobicContact CB-CG 4.28Å
634	N	88.1	Confident	81.3	Confident	3 Å²	3	86.9 Å²	86.9	2%	0.016	42%	0.423	C	S	.	.	H	α-helix	trans	-65.2	-37.8	175.8	-73.9	-19.4	0	0	0	111.9	P630 W631 R638 E658 Q660 Q713	P630-N634 WeakPolarHBondContact O-CB 3.43Å; P630-N634 VanDerWaalsContact O-CG 3.27Å; P630-N634 PolarHBondContact O-N 3.47Å; P630-N634 PolarHBondContact O-ND2 3.05Å; W631-N634 PolarHBondContact O-N 2.72Å; N634-R638 WeakPolarHBondContact O-CB 3.13Å; N634-R638 WeakPolarHBondContact O-CG 3.06Å; N634-R638 PolarHBondContact O-N 3.07Å; N634-E658 PolarHBondContact OD1-O 3.33Å; N634-Q660 WeakPolarHBondContact OD1-CG 3.09Å; N634-Q660 PolarHBondContact OD1-N 3.38Å; N634-Q660 PolarHBondContact OD1-NE2 3.45Å; N634-Q713 PolarHBondContact ND2-O 2.89Å; N634-Q713 PolarHBondContact ND2-OE1 2.91Å
635	L	87.8	Confident	79.4	Confident	91 Å²	91	88.6 Å²	88.6	48%	0.476	44%	0.441	S	S	.	.	H	α-helix	trans	-66.9	-46	176.2	-177.5	62.5	0	0	0	112.1	W631 V632 K633 R638 Y639	W631-L635 HydrophobicContact CH2-CD2 3.81Å; W631-L635 HydrophobicContact CZ2-CD2 4.17Å; W631-L635 HydrophobicContact CZ3-CD2 4.11Å; W631-L635 WeakPolarHBondContact O-CB 3.29Å; W631-L635 PolarHBondContact O-N 2.95Å; V632-L635 PolarHBondContact O-N 3.22Å; K633-L635 VanDerWaalsContact C-N 3.35Å; L635-R638 PolarHBondContact O-N 3.08Å; L635-Y639 WeakPolarHBondContact O-CB 3.5Å; L635-Y639 PolarHBondContact O-N 3.04Å
636	I	87.8	Confident	77.8	Confident	98 Å²	98	89 Å²	89	50%	0.503	44%	0.441	S	S	.	.	H	α-helix	trans	-62.5	-45.7	174.7	-69.7	169.9	0	0	0	110.1	V632 R638 Y639 C640	V632-I636 HydrophobicContact CG1-CD1 3.57Å; V632-I636 HydrophobicContact CG1-CG1 4.17Å; V632-I636 WeakPolarHBondContact O-CB 3.44Å; V632-I636 VanDerWaalsContact O-CG1 3.28Å; V632-I636 WeakPolarHBondContact O-CG1 3.14Å; V632-I636 PolarHBondContact O-N 3.45Å; I636-R638 PolarHBondContact O-N 2.44Å; I636-Y639 PolarHBondContact O-N 3.26Å; I636-Y639 VanDerWaalsContact O-N 3.1Å; I636-C640 PolarHBondContact O-N 3.46Å; I636-C640 PolarHBondContact O-SG 3.4Å; I636-C640 VanDerWaalsContact O-SG 3.41Å
637	F	82.6	Confident	76.4	Confident	67 Å²	67	97.4 Å²	97.4	29%	0.294	48%	0.477	S	S	.	.	H	α-helix	trans	-56.6	-51.6	178.8	-170.4	-93.2	0	0	0	110.9	K633 Y639 C640 T641 F657 E658	K633-F637 VanDerWaalsContact O-CB 3.28Å; K633-F637 WeakPolarHBondContact O-CB 3.2Å; K633-F637 PolarHBondContact O-N 3.17Å; F637-Y639 VanDerWaalsContact C-N 3.27Å; F637-Y639 PolarHBondContact O-N 3.08Å; F637-C640 CarbonylContact O-C 3.54Å; F637-C640 PolarHBondContact O-N 2.96Å; F637-C640 VanDerWaalsContact O-N 3.08Å; F637-T641 HydrophobicContact CD1-CG2 3.93Å; F637-T641 HydrophobicContact CE1-CG2 3.52Å; F637-T641 HydrophobicContact CE2-CG2 4.27Å; F637-T641 HydrophobicContact CG-CG2 4.46Å; F637-T641 HydrophobicContact CZ-CG2 3.72Å; F637-T641 PolarHBondContact O-N 3.37Å; F637-T641 PolarHBondContact O-OG1 3Å; F637-F657 HydrophobicContact CZ-CE1 4.29Å; F637-E658 HydrophobicContact CD1-CB 4.14Å; F637-E658 HydrophobicContact CD1-CG 4.39Å; F637-E658 HydrophobicContact CE1-CB 4.2Å; F637-E658 HydrophobicContact CE1-CG 4.2Å
638	R	79.4	Confident	75.3	Confident	110 Å²	110	96.9 Å²	96.9	42%	0.415	47%	0.474	S	S	.	.	H	α-helix	trans	-60.1	-31.1	175.2	-77.1	174.8	170.2	155.8	7	114.5	N634 L635 I636 R642 E658	N634-R638 WeakPolarHBondContact O-CB 3.13Å; N634-R638 WeakPolarHBondContact O-CG 3.06Å; N634-R638 PolarHBondContact O-N 3.07Å; L635-R638 PolarHBondContact O-N 3.08Å; I636-R638 PolarHBondContact O-N 2.44Å; R638-R642 WeakPolarHBondContact O-CB 3.3Å; R638-R642 VanDerWaalsContact O-CG 3.3Å; R638-R642 WeakPolarHBondContact O-CG 3.36Å; R638-R642 PolarHBondContact O-N 3.19Å; R638-E658 WeakPolarHBondContact CG-OE2 3.34Å; R638-E658 IonicContact CZ-OE2 2.91Å; R638-E658 IonicContact NE-OE2 2.81Å; R638-E658 PolarHBondContact NE-OE2 3.38Å; R638-E658 IonicContact NH2-OE2 2.66Å; R638-E658 PolarHBondContact NH2-OE2 3.31Å
639	Y	82.3	Confident	74.5	Confident	180 Å²	180	97.4 Å²	97.4	71%	0.706	47%	0.474	S	S	*	.	H	α-helix	trans	-73.4	-37.5	174.9	-163.6	-91.5	0	0	0	111.3	L635 I636 F637	L635-Y639 WeakPolarHBondContact O-CB 3.5Å; L635-Y639 PolarHBondContact O-N 3.04Å; I636-Y639 PolarHBondContact O-N 3.26Å; I636-Y639 VanDerWaalsContact O-N 3.1Å; F637-Y639 VanDerWaalsContact C-N 3.27Å; F637-Y639 PolarHBondContact O-N 3.08Å
640	C	78.8	Confident	74.1	Confident	102 Å²	102	95.8 Å²	95.8	69%	0.689	47%	0.467	S	S	*	.	H	α-helix	trans	-78.8	-27.6	177.7	-66.8	0	0	0	0	114.3	I636 F637	I636-C640 PolarHBondContact O-N 3.46Å; I636-C640 PolarHBondContact O-SG 3.4Å; I636-C640 VanDerWaalsContact O-SG 3.41Å; F637-C640 CarbonylContact O-C 3.54Å; F637-C640 PolarHBondContact O-N 2.96Å; F637-C640 VanDerWaalsContact O-N 3.08Å
641	T	67.3	Low	74	Confident	55 Å²	55	95.5 Å²	95.5	34%	0.337	47%	0.466	S	S	.	.	S	Bend	trans	-88.7	-0.7	176.1	54.7	0	0	0	0	114	F637 V643	F637-T641 HydrophobicContact CD1-CG2 3.93Å; F637-T641 HydrophobicContact CE1-CG2 3.52Å; F637-T641 HydrophobicContact CE2-CG2 4.27Å; F637-T641 HydrophobicContact CG-CG2 4.46Å; F637-T641 HydrophobicContact CZ-CG2 3.72Å; F637-T641 PolarHBondContact O-N 3.37Å; F637-T641 PolarHBondContact O-OG1 3Å; T641-V643 PolarHBondContact O-N 3.04Å
642	R	61.8	Low	74.1	Confident	204 Å²	204	89.4 Å²	89.4	77%	0.77	44%	0.443	S	S	*	.			trans	-71.3	73	176.7	-103.7	177.3	171.8	-166.6	-2.3	112.8	R638	R638-R642 WeakPolarHBondContact O-CB 3.3Å; R638-R642 VanDerWaalsContact O-CG 3.3Å; R638-R642 WeakPolarHBondContact O-CG 3.36Å; R638-R642 PolarHBondContact O-N 3.19Å
643	V	54.3	Low	74	Confident	88 Å²	88	87.4 Å²	87.4	53%	0.533	43%	0.43	S	S	.	.			trans	-72.5	166.3	156.3	-173.6	0	0	0	0	108.6	T641	T641-V643 PolarHBondContact O-N 3.04Å
644	T	50.5	Low	74	Confident	102 Å²	102	83 Å²	83	63%	0.626	41%	0.411	S	S	*	.			trans	-50.6	141.5	-168.3	39.4	0	0	0	0	114.7	K646	T644-K646 PolarHBondContact O-N 3.21Å
645	P	49.3	Very low	74	Confident	128 Å²	128	84.1 Å²	84.1	83%	0.831	42%	0.416	S	S	*	.			trans	-70.3	94.3	-175.9	28.7	-35.2	0	0	0	111.9
646	K	53.7	Low	74.1	Confident	89 Å²	89	79.9 Å²	79.9	39%	0.387	39%	0.394	S	S	.	.			trans	-67.7	148.4	163.6	-62.6	176.2	-171.5	174.6	0	108.5	V117 D120 T644 V648	V117-K646 VanDerWaalsContact O-CD 3.25Å; V117-K646 WeakPolarHBondContact O-CD 3.37Å; V117-K646 WeakPolarHBondContact O-CE 3.34Å; V117-K646 PolarHBondContact O-NZ 3.37Å; D120-K646 IonicContact OD1-NZ 2.73Å; D120-K646 PolarHBondContact OD1-NZ 3.48Å; T644-K646 PolarHBondContact O-N 3.21Å; K646-V648 PolarHBondContact O-N 2.9Å
647	K	57.1	Low	74.2	Confident	219 Å²	219	76.2 Å²	76.2	95%	0.952	37%	0.374	S	S	*	.	S	Bend	trans	-74.4	9.9	-172.2	-67.3	-174.2	177.3	180	0	115.6
648	V	66.4	Low	74.5	Confident	50 Å²	50	75.6 Å²	75.6	30%	0.303	37%	0.373	S	S	.	.	S	Bend	trans	-114.8	130.4	-167	-179.7	0	0	0	0	109.7	Y54 N56 V117 K646	Y54-V648 HydrophobicContact CD1-CG1 4.27Å; Y54-V648 HydrophobicContact CE1-CG1 3.71Å; N56-V648 WeakPolarHBondContact OD1-CG1 3.34Å; V117-V648 HydrophobicContact CG1-CB 4.19Å; V117-V648 HydrophobicContact CG1-CG1 4.28Å; K646-V648 PolarHBondContact O-N 2.9Å
649	E	73.6	Confident	75	Confident	104 Å²	104	70.8 Å²	70.8	49%	0.486	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-69	136.8	175.7	-76.8	-161.7	-134.6	0	0	112	Y54 P58 R252	Y54-E649 PolarHBondContact OH-O 3.01Å; Y54-E649 VanDerWaalsContact OH-O 3.09Å; P58-E649 HydrophobicContact CB-CB 3.74Å; P58-E649 HydrophobicContact CG-CB 4.22Å; R252-E649 IonicContact CZ-OE2 2.97Å; R252-E649 IonicContact NH1-OE2 2.75Å; R252-E649 PolarHBondContact NH1-OE2 2.86Å; R252-E649 IonicContact NH2-OE2 3.48Å; R252-E649 PolarHBondContact NH2-OE2 3.44Å
650	P	79.3	Confident	75.4	Confident	37 Å²	37	63.9 Å²	63.9	24%	0.24	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-64.4	140.8	-179.2	24	-32.2	0	0	0	111.7	E654 Q655	P650-E654 HydrophobicContact CB-CB 3.86Å; P650-Q655 HydrophobicContact CB-CG 4.21Å; P650-Q655 HydrophobicContact CG-CG 3.95Å; P650-Q655 PolarHBondContact O-NE2 3.41Å
651	P	87.4	Confident	75.9	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-64.7	161.7	173.4	25.3	-33.7	0	0	0	113.2	Y54 P58 W653 E654 Q655	Y54-P651 HydrophobicContact CD2-CB 4.35Å; Y54-P651 HydrophobicContact CD2-CG 4.48Å; Y54-P651 HydrophobicContact CE2-CB 3.67Å; Y54-P651 HydrophobicContact CE2-CG 4.12Å; P58-P651 CarbonylContact O-C 3.54Å; P58-P651 WeakPolarHBondContact O-CA 3.35Å; P651-W653 HydrophobicContact CB-CD2 3.76Å; P651-W653 VanDerWaalsContact CB-CE2 3.42Å; P651-W653 HydrophobicContact CB-CE3 4.09Å; P651-W653 HydrophobicContact CB-CG 4.34Å; P651-W653 HydrophobicContact CB-CH2 3.76Å; P651-W653 HydrophobicContact CB-CZ2 3.44Å; P651-W653 VanDerWaalsContact CB-CZ2 3.44Å; P651-W653 HydrophobicContact CB-CZ3 4.09Å; P651-W653 HydrophobicContact CG-CD2 4.07Å; P651-W653 VanDerWaalsContact CG-CE2 3.44Å; P651-W653 HydrophobicContact CG-CG 4.3Å; P651-W653 HydrophobicContact CG-CZ2 3.72Å; P651-W653 VanDerWaalsContact CG-NE1 3.32Å; P651-W653 PolarHBondContact O-N 3.29Å; P651-W653 VanDerWaalsContact O-N 3.09Å; P651-E654 HydrophobicContact CG-CB 4.09Å; P651-E654 HydrophobicContact CG-CG 4Å; P651-E654 PolarHBondContact O-N 3.03Å; P651-Q655 WeakPolarHBondContact O-CG 3.1Å; P651-Q655 PolarHBondContact O-N 3.5Å
652	R	88.8	Confident	76.7	Confident	3 Å²	3	62 Å²	62	1%	0.011	31%	0.312	C	S	.	.	H	α-helix	trans	-44.2	-44	176.6	-68	-60.1	-51.6	110.4	21.1	113.3	P58 D59 S60 L61 H249 D250 Q655 D656	P58-R652 PolarHBondContact O-N 3.39Å; D59-R652 VanDerWaalsContact OD1-CD 3.27Å; D59-R652 WeakPolarHBondContact OD1-CD 3.22Å; S60-R652 VanDerWaalsContact O-CG 3.27Å; S60-R652 WeakPolarHBondContact O-CG 3.45Å; L61-R652 HydrophobicContact CD2-CG 4.24Å; H249-R652 PolarHBondContact O-NE 2.86Å; H249-R652 VanDerWaalsContact O-NE 3.12Å; H249-R652 PolarHBondContact O-NH2 2.79Å; D250-R652 PolarHBondContact O-NE 2.8Å; R652-Q655 PolarHBondContact O-N 2.87Å; R652-D656 IonicContact CZ-OD1 3.67Å; R652-D656 IonicContact CZ-OD2 3.37Å; R652-D656 IonicContact NH1-OD1 2.66Å; R652-D656 IonicContact NH2-OD1 2.65Å; R652-D656 PolarHBondContact NH2-OD1 3Å; R652-D656 IonicContact NH2-OD2 3.58Å; R652-D656 PolarHBondContact NH2-OD2 2.83Å; R652-D656 WeakPolarHBondContact O-CB 3.37Å; R652-D656 PolarHBondContact O-N 2.91Å
653	W	88.9	Confident	77.5	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.015	30%	0.295	C	S	.	.	H	α-helix	trans	-70.1	-33.6	-179.2	52.3	85.3	0	0	0	113.9	Y54 I73 Y124 K126 Y246 P651 F657	Y54-W653 HydrophobicContact CD2-CH2 4.38Å; Y54-W653 HydrophobicContact CD2-CZ2 4.09Å; Y54-W653 HydrophobicContact CE2-CH2 4.42Å; Y54-W653 HydrophobicContact CE2-CZ2 4.37Å; I73-W653 HydrophobicContact CD1-CB 3.45Å; I73-W653 VanDerWaalsContact CD1-CB 3.45Å; I73-W653 HydrophobicContact CG1-CB 3.94Å; I73-W653 HydrophobicContact CG2-CB 4.13Å; Y124-W653 HydrophobicContact CD1-CB 4.43Å; Y124-W653 AromaticContact CD1-CD1 3.72Å; Y124-W653 HydrophobicContact CD1-CG 4.43Å; Y124-W653 AromaticContact CD2-CD1 3.7Å; Y124-W653 AromaticContact CG-CD1 3.39Å; Y124-W653 HydrophobicContact CG-CG 4.37Å; Y124-W653 AromaticContact CG-NE1 3.97Å; K126-W653 HydrophobicContact CD-CZ3 4.44Å; Y246-W653 PolarHBondContact OH-O 2.87Å; P651-W653 HydrophobicContact CB-CD2 3.76Å; P651-W653 VanDerWaalsContact CB-CE2 3.42Å; P651-W653 HydrophobicContact CB-CE3 4.09Å; P651-W653 HydrophobicContact CB-CG 4.34Å; P651-W653 HydrophobicContact CB-CH2 3.76Å; P651-W653 HydrophobicContact CB-CZ2 3.44Å; P651-W653 VanDerWaalsContact CB-CZ2 3.44Å; P651-W653 HydrophobicContact CB-CZ3 4.09Å; P651-W653 HydrophobicContact CG-CD2 4.07Å; P651-W653 VanDerWaalsContact CG-CE2 3.44Å; P651-W653 HydrophobicContact CG-CG 4.3Å; P651-W653 HydrophobicContact CG-CZ2 3.72Å; P651-W653 VanDerWaalsContact CG-NE1 3.32Å; P651-W653 PolarHBondContact O-N 3.29Å; P651-W653 VanDerWaalsContact O-N 3.09Å; W653-F657 WeakPolarHBondContact O-CB 3.43Å; W653-F657 PolarHBondContact O-N 3.31Å
654	E	88.3	Confident	78.4	Confident	10 Å²	10	58.4 Å²	58.4	5%	0.047	30%	0.301	C	S	.	.	H	α-helix	trans	-69.6	-45.8	170.2	-82.2	177.5	-147.9	0	0	111	S116 V117 H118 Y124 P650 P651 D656 F657 E658	S116-E654 WeakPolarHBondContact CA-OE1 3.37Å; V117-E654 PolarHBondContact N-OE1 3.44Å; H118-E654 IonicContact CE1-OE2 3.65Å; H118-E654 IonicContact CG-OE2 2.71Å; H118-E654 IonicContact ND1-OE2 3.19Å; H118-E654 PolarHBondContact ND1-OE2 3.09Å; Y124-E654 HydrophobicContact CD2-CG 4.27Å; Y124-E654 HydrophobicContact CE1-CG 4.48Å; Y124-E654 HydrophobicContact CE2-CG 3.45Å; Y124-E654 VanDerWaalsContact CE2-CG 3.45Å; P650-E654 HydrophobicContact CB-CB 3.86Å; P651-E654 HydrophobicContact CG-CB 4.09Å; P651-E654 HydrophobicContact CG-CG 4Å; P651-E654 PolarHBondContact O-N 3.03Å; E654-D656 VanDerWaalsContact C-N 3.31Å; E654-D656 PolarHBondContact O-N 3.1Å; E654-F657 WeakPolarHBondContact O-CB 3.31Å; E654-F657 PolarHBondContact O-N 2.83Å; E654-F657 VanDerWaalsContact O-N 3.11Å; E654-E658 PolarHBondContact O-N 3.08Å
655	Q	88	Confident	79.5	Confident	25 Å²	25	54.4 Å²	54.4	12%	0.117	28%	0.276	C	S	.	.	H	α-helix	trans	-57.5	-42.5	179	-64.6	175	43.8	0	0	112.2	P58 D59 P650 P651 R652	P58-Q655 PolarHBondContact O-NE2 3.22Å; D59-Q655 PolarHBondContact OD1-NE2 2.89Å; P650-Q655 HydrophobicContact CB-CG 4.21Å; P650-Q655 HydrophobicContact CG-CG 3.95Å; P650-Q655 PolarHBondContact O-NE2 3.41Å; P651-Q655 WeakPolarHBondContact O-CG 3.1Å; P651-Q655 PolarHBondContact O-N 3.5Å; R652-Q655 PolarHBondContact O-N 2.87Å
656	D	91.4	Very high	81	Confident	2 Å²	2	49 Å²	49	1%	0.011	24%	0.244	C	C	.	.	H	α-helix	trans	-79	-25.5	178	-68.1	-13.7	0	0	0	112.1	Y246 H249 R266 R652 E654 E658 L659 R715	Y246-D656 HydrophobicContact CE2-CB 3.96Å; H249-D656 WeakPolarHBondContact CB-OD2 3.43Å; H249-D656 IonicContact CD2-OD1 3.37Å; H249-D656 IonicContact CD2-OD2 2.69Å; H249-D656 IonicContact CG-OD2 3.72Å; H249-D656 PolarHBondContact N-OD2 2.77Å; R266-D656 IonicContact NH1-OD1 2.7Å; R266-D656 PolarHBondContact NH1-OD1 3.11Å; R652-D656 IonicContact CZ-OD1 3.67Å; R652-D656 IonicContact CZ-OD2 3.37Å; R652-D656 IonicContact NH1-OD1 2.66Å; R652-D656 IonicContact NH2-OD1 2.65Å; R652-D656 PolarHBondContact NH2-OD1 3Å; R652-D656 IonicContact NH2-OD2 3.58Å; R652-D656 PolarHBondContact NH2-OD2 2.83Å; R652-D656 WeakPolarHBondContact O-CB 3.37Å; R652-D656 PolarHBondContact O-N 2.91Å; E654-D656 VanDerWaalsContact C-N 3.31Å; E654-D656 PolarHBondContact O-N 3.1Å; D656-E658 VanDerWaalsContact C-N 3.27Å; D656-E658 PolarHBondContact O-N 3.3Å; D656-L659 WeakPolarHBondContact O-CB 3.37Å; D656-L659 PolarHBondContact O-N 3.43Å; D656-R715 VanDerWaalsContact O-CG 3.27Å; D656-R715 WeakPolarHBondContact O-CG 3.43Å; D656-R715 PolarHBondContact O-NE 3.36Å
657	F	89.9	Confident	82.7	Confident	21 Å²	21	45.2 Å²	45.2	9%	0.092	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-31.9	172.4	-174.1	-115.9	0	0	0	112.6	V75 L122 Y124 K243 A244 Y246 F637 W653 E654 L659 R715	V75-F657 HydrophobicContact CB-CD2 4.34Å; V75-F657 HydrophobicContact CB-CE2 4.08Å; V75-F657 HydrophobicContact CG1-CD2 4.18Å; V75-F657 HydrophobicContact CG1-CE2 3.81Å; V75-F657 HydrophobicContact CG1-CZ 4.06Å; V75-F657 HydrophobicContact CG2-CD2 3.87Å; V75-F657 HydrophobicContact CG2-CE2 4.12Å; L122-F657 HydrophobicContact CD1-CE1 3.93Å; Y124-F657 HydrophobicContact CE1-CB 4.03Å; Y124-F657 HydrophobicContact CE1-CD1 4.44Å; Y124-F657 HydrophobicContact CE1-CG 4.1Å; Y124-F657 WeakPolarHBondContact OH-CD1 3.29Å; K243-F657 HydrophobicContact CD-CZ 4.31Å; A244-F657 HydrophobicContact CB-CD2 4.23Å; A244-F657 HydrophobicContact CB-CE2 3.88Å; Y246-F657 HydrophobicContact CE1-CD2 4.18Å; Y246-F657 WeakPolarHBondContact OH-CB 3.41Å; F637-F657 HydrophobicContact CZ-CE1 4.29Å; W653-F657 WeakPolarHBondContact O-CB 3.43Å; W653-F657 PolarHBondContact O-N 3.31Å; E654-F657 WeakPolarHBondContact O-CB 3.31Å; E654-F657 PolarHBondContact O-N 2.83Å; E654-F657 VanDerWaalsContact O-N 3.11Å; F657-L659 PolarHBondContact O-N 3.3Å; F657-R715 PolarHBondContact O-NH2 2.88Å
658	E	87.1	Confident	84.2	Confident	55 Å²	55	35.4 Å²	35.4	26%	0.257	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.7	175.7	-61.4	-163.3	141.3	0	0	114.5	N634 F637 R638 E654 D656	N634-E658 PolarHBondContact OD1-O 3.33Å; F637-E658 HydrophobicContact CD1-CB 4.14Å; F637-E658 HydrophobicContact CD1-CG 4.39Å; F637-E658 HydrophobicContact CE1-CB 4.2Å; F637-E658 HydrophobicContact CE1-CG 4.2Å; R638-E658 WeakPolarHBondContact CG-OE2 3.34Å; R638-E658 IonicContact CZ-OE2 2.91Å; R638-E658 IonicContact NE-OE2 2.81Å; R638-E658 PolarHBondContact NE-OE2 3.38Å; R638-E658 IonicContact NH2-OE2 2.66Å; R638-E658 PolarHBondContact NH2-OE2 3.31Å; E654-E658 PolarHBondContact O-N 3.08Å; D656-E658 VanDerWaalsContact C-N 3.27Å; D656-E658 PolarHBondContact O-N 3.3Å
659	L	90.6	Very high	85.2	Confident	9 Å²	9	36.4 Å²	36.4	5%	0.047	18%	0.183	C	C	.	.	S	Bend	trans	-76.8	155.6	-177.3	-57.9	176.9	0	0	0	111.5	D656 F657 R715	D656-L659 WeakPolarHBondContact O-CB 3.37Å; D656-L659 PolarHBondContact O-N 3.43Å; F657-L659 PolarHBondContact O-N 3.3Å; L659-R715 HydrophobicContact CB-CG 3.82Å; L659-R715 PolarHBondContact O-NE 3.42Å; L659-R715 PolarHBondContact O-NH2 2.9Å
660	Q	90.8	Very high	86.1	Confident	34 Å²	34	32.2 Å²	32.2	16%	0.159	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-64.5	137.6	177.6	-64.6	-49.2	-76.7	0	0	111.1	P630 K633 N634 Q713 F714 R715	P630-Q660 HydrophobicContact CB-CG 4.32Å; K633-Q660 HydrophobicContact CB-CG 4.28Å; N634-Q660 WeakPolarHBondContact OD1-CG 3.09Å; N634-Q660 PolarHBondContact OD1-N 3.38Å; N634-Q660 PolarHBondContact OD1-NE2 3.45Å; Q660-Q713 PolarHBondContact N-O 3.43Å; Q660-Q713 VanDerWaalsContact N-O 3.14Å; Q660-F714 HydrophobicContact CB-CD1 3.77Å; Q660-F714 HydrophobicContact CB-CE1 3.96Å; Q660-F714 CarbonylContact O-C 3.56Å; Q660-F714 WeakPolarHBondContact O-CA 3.4Å; Q660-R715 PolarHBondContact O-N 3.42Å
661	P	89.3	Confident	86.7	Confident	76 Å²	76	31.1 Å²	31.1	49%	0.494	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-65.2	141.8	166.1	30	-33.9	0	0	0	109.7
662	F	84.5	Confident	86.9	Confident	42 Å²	42	31.8 Å²	31.8	18%	0.184	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-70.6	152	172.8	-164.3	-123	0	0	0	111	L667 F714 I717	F662-L667 HydrophobicContact CZ-CD2 4.1Å; F662-F714 HydrophobicContact CD2-CD1 4.11Å; F662-F714 HydrophobicContact CD2-CD2 4.22Å; F662-F714 HydrophobicContact CD2-CE1 4.36Å; F662-F714 HydrophobicContact CD2-CE2 4.46Å; F662-F714 HydrophobicContact CD2-CG 4.05Å; F662-I717 HydrophobicContact CB-CG1 4.02Å; F662-I717 HydrophobicContact CD1-CB 4.27Å; F662-I717 HydrophobicContact CD1-CD1 3.81Å; F662-I717 HydrophobicContact CD1-CG1 3.7Å; F662-I717 HydrophobicContact CD1-CG2 3.6Å; F662-I717 HydrophobicContact CD2-CD1 3.86Å; F662-I717 HydrophobicContact CD2-CG1 4.09Å; F662-I717 HydrophobicContact CE1-CD1 3.68Å; F662-I717 HydrophobicContact CE1-CG1 4.09Å; F662-I717 HydrophobicContact CE1-CG2 3.89Å; F662-I717 HydrophobicContact CE2-CD1 3.78Å; F662-I717 HydrophobicContact CE2-CG1 4.48Å; F662-I717 HydrophobicContact CG-CD1 3.89Å; F662-I717 HydrophobicContact CG-CG1 3.68Å; F662-I717 HydrophobicContact CG-CG2 4.41Å; F662-I717 HydrophobicContact CZ-CD1 3.69Å; F662-I717 HydrophobicContact CZ-CG1 4.49Å
663	T	78.9	Confident	87	Confident	67 Å²	67	33 Å²	33	41%	0.411	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-69.2	140.7	-172.9	-52.5	0	0	0	0	111.3	L665 G666 Y669	T663-L665 HydrophobicContact CG2-CB 4.05Å; T663-L665 HydrophobicContact CG2-CD1 4.44Å; T663-L665 HydrophobicContact CG2-CG 4.31Å; T663-L665 PolarHBondContact O-N 2.91Å; T663-G666 PolarHBondContact O-N 3.02Å; T663-Y669 HydrophobicContact CG2-CE2 4.41Å
664	K	72.6	Confident	87.2	Confident	149 Å²	149	32.8 Å²	32.8	65%	0.648	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-15.1	176.8	-69.8	-174.2	176	-177.3	0	114.8	N238 R546 G666	N238-K664 PolarHBondContact OD1-NZ 2.94Å; R546-K664 PolarHBondContact NH2-O 3.26Å; K664-G666 VanDerWaalsContact C-N 3.34Å
665	L	74.3	Confident	87.5	Confident	19 Å²	19	32.3 Å²	32.3	10%	0.099	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-1	176.7	-60.9	172.4	0	0	0	112.5	I535 L553 T663 L667 F668 Y669	I535-L665 HydrophobicContact CD1-CD1 4.26Å; L553-L665 HydrophobicContact CD2-CD2 3.39Å; T663-L665 HydrophobicContact CG2-CB 4.05Å; T663-L665 HydrophobicContact CG2-CD1 4.44Å; T663-L665 HydrophobicContact CG2-CG 4.31Å; T663-L665 PolarHBondContact O-N 2.91Å; L665-L667 PolarHBondContact O-N 2.82Å; L665-F668 HydrophobicContact CB-CB 4.16Å; L665-F668 WeakPolarHBondContact O-CB 3.42Å; L665-F668 PolarHBondContact O-N 2.92Å; L665-Y669 HydrophobicContact CB-CE2 4.39Å; L665-Y669 HydrophobicContact CD1-CE2 3.66Å; L665-Y669 VanDerWaalsContact CD1-OH 3.31Å; L665-Y669 WeakPolarHBondContact CD1-OH 3.36Å
666	G	80.9	Confident	87.8	Confident	15 Å²	15	31.1 Å²	31.1	16%	0.155	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-132.8	179	0	0	0	0	0	112.3	T663 K664 F668	T663-G666 PolarHBondContact O-N 3.02Å; K664-G666 VanDerWaalsContact C-N 3.34Å; G666-F668 PolarHBondContact O-N 2.82Å
667	L	88.5	Confident	87.9	Confident	8 Å²	8	31.4 Å²	31.4	4%	0.042	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	9.4	-178.5	-58.6	167.1	0	0	0	113.9	K295 I296 Y299 F662 L665 Y669 E670 Y671 M710	K295-L667 HydrophobicContact CG-CD1 4.3Å; K295-L667 WeakPolarHBondContact O-CD1 3.39Å; I296-L667 HydrophobicContact CG1-CD1 3.91Å; I296-L667 HydrophobicContact CG1-CD2 4.33Å; I296-L667 HydrophobicContact CG1-CG 4.47Å; Y299-L667 HydrophobicContact CG-CD1 4.39Å; F662-L667 HydrophobicContact CZ-CD2 4.1Å; L665-L667 PolarHBondContact O-N 2.82Å; L667-Y669 VanDerWaalsContact C-N 3.32Å; L667-Y669 PolarHBondContact O-N 2.77Å; L667-E670 HydrophobicContact CB-CG 4.06Å; L667-E670 HydrophobicContact CD2-CG 3.89Å; L667-E670 WeakPolarHBondContact O-CB 3.16Å; L667-E670 WeakPolarHBondContact O-CG 3.3Å; L667-E670 PolarHBondContact O-N 3.09Å; L667-E670 VanDerWaalsContact O-N 3.16Å; L667-Y671 HydrophobicContact CB-CD2 4Å; L667-Y671 HydrophobicContact CB-CE2 4.02Å; L667-Y671 HydrophobicContact CD1-CE2 4.38Å; L667-Y671 WeakPolarHBondContact O-CD2 3.47Å; L667-Y671 PolarHBondContact O-N 3.48Å; L667-Y671 VanDerWaalsContact O-N 3.12Å; L667-M710 HydrophobicContact CD2-CE 3.56Å; L667-M710 HydrophobicContact CD2-SD 4.41Å
668	F	88.3	Confident	88.2	Confident	14 Å²	14	30.4 Å²	30.4	6%	0.061	15%	0.153	C	C	.	.	H	α-helix	trans	-54.5	-44.9	-173.8	170.8	-94	0	0	0	113	T554 M557 L665 G666 L672 W728	T554-F668 HydrophobicContact CG2-CE2 4.14Å; M557-F668 HydrophobicContact CB-CE1 4.07Å; M557-F668 HydrophobicContact CB-CE2 4.14Å; M557-F668 HydrophobicContact CB-CZ 3.41Å; M557-F668 VanDerWaalsContact CB-CZ 3.41Å; M557-F668 HydrophobicContact CE-CD1 4.15Å; M557-F668 HydrophobicContact CE-CE1 3.44Å; M557-F668 VanDerWaalsContact CE-CE1 3.44Å; M557-F668 HydrophobicContact CE-CZ 4.07Å; M557-F668 HydrophobicContact CG-CE1 4.47Å; M557-F668 HydrophobicContact CG-CZ 4.17Å; M557-F668 HydrophobicContact SD-CD1 4.14Å; M557-F668 HydrophobicContact SD-CE1 3.6Å; M557-F668 VanDerWaalsContact SD-CE1 3.6Å; M557-F668 HydrophobicContact SD-CE2 4.46Å; M557-F668 HydrophobicContact SD-CZ 3.8Å; L665-F668 HydrophobicContact CB-CB 4.16Å; L665-F668 WeakPolarHBondContact O-CB 3.42Å; L665-F668 PolarHBondContact O-N 2.92Å; G666-F668 PolarHBondContact O-N 2.82Å; F668-L672 HydrophobicContact CE1-CB 4.21Å; F668-L672 HydrophobicContact CE1-CD2 3.73Å; F668-L672 HydrophobicContact CZ-CB 4.11Å; F668-L672 HydrophobicContact CZ-CD1 4.44Å; F668-L672 HydrophobicContact CZ-CD2 3.9Å; F668-L672 HydrophobicContact CZ-CG 4.37Å; F668-L672 VanDerWaalsContact O-CB 3.3Å; F668-L672 WeakPolarHBondContact O-CB 3.23Å; F668-L672 PolarHBondContact O-N 3.46Å; F668-W728 HydrophobicContact CD2-CH2 4.25Å; F668-W728 AromaticContact CD2-CZ2 3.55Å; F668-W728 HydrophobicContact CD2-CZ2 3.55Å; F668-W728 AromaticContact CE2-CH2 3.52Å; F668-W728 HydrophobicContact CE2-CH2 3.52Å; F668-W728 AromaticContact CE2-CZ2 3.3Å; F668-W728 HydrophobicContact CE2-CZ2 3.3Å; F668-W728 AromaticContact CZ-CH2 4Å; F668-W728 HydrophobicContact CZ-CH2 4Å; F668-W728 HydrophobicContact CZ-CZ2 4.11Å
669	Y	87.6	Confident	88.6	Confident	70 Å²	70	27.8 Å²	27.8	28%	0.275	14%	0.14	S	C	.	.	H	α-helix	trans	-69	-37.2	-179.8	-66.4	-65.8	0	0	0	112.7	E531 M557 T663 L665 L667 L672 E673	E531-Y669 VanDerWaalsContact CG-OH 3.3Å; E531-Y669 WeakPolarHBondContact CG-OH 3.41Å; E531-Y669 PolarHBondContact OE2-OH 2.89Å; M557-Y669 HydrophobicContact CE-CE1 4.07Å; T663-Y669 HydrophobicContact CG2-CE2 4.41Å; L665-Y669 HydrophobicContact CB-CE2 4.39Å; L665-Y669 HydrophobicContact CD1-CE2 3.66Å; L665-Y669 VanDerWaalsContact CD1-OH 3.31Å; L665-Y669 WeakPolarHBondContact CD1-OH 3.36Å; L667-Y669 VanDerWaalsContact C-N 3.32Å; L667-Y669 PolarHBondContact O-N 2.77Å; Y669-L672 HydrophobicContact CD1-CD2 4.38Å; Y669-L672 PolarHBondContact O-N 2.93Å; Y669-E673 WeakPolarHBondContact O-CB 3.48Å; Y669-E673 PolarHBondContact O-N 3.38Å
670	E	91.8	Very high	88.7	Confident	17 Å²	17	27.7 Å²	27.7	8%	0.079	14%	0.14	C	C	.	.	H	α-helix	trans	-61.6	-46.4	179.7	-29.2	-71.5	-151.3	0	0	110.4	Y299 L667 E673 M674 K709 M710	Y299-E670 HydrophobicContact CD2-CB 4.33Å; Y299-E670 HydrophobicContact CE1-CB 4.24Å; Y299-E670 HydrophobicContact CE2-CB 3.56Å; L667-E670 HydrophobicContact CB-CG 4.06Å; L667-E670 HydrophobicContact CD2-CG 3.89Å; L667-E670 WeakPolarHBondContact O-CB 3.16Å; L667-E670 WeakPolarHBondContact O-CG 3.3Å; L667-E670 PolarHBondContact O-N 3.09Å; L667-E670 VanDerWaalsContact O-N 3.16Å; E670-E673 WeakPolarHBondContact O-CB 3.34Å; E670-M674 WeakPolarHBondContact O-CG 3.23Å; E670-M674 PolarHBondContact O-N 3.47Å; E670-K709 WeakPolarHBondContact OE1-CE 3.42Å; E670-K709 IonicContact OE1-NZ 3.41Å; E670-K709 PolarHBondContact OE1-NZ 3.16Å; E670-K709 VanDerWaalsContact OE1-NZ 3.13Å; E670-K709 IonicContact OE2-NZ 3.73Å; E670-K709 PolarHBondContact OE2-NZ 3.42Å; E670-M710 HydrophobicContact CG-CE 4.47Å
671	Y	93.5	Very high	88.8	Confident	14 Å²	14	26.1 Å²	26.1	6%	0.055	13%	0.132	C	C	.	.	H	α-helix	trans	-68.7	-42.5	172.8	-77.1	-74.2	0	0	0	112.5	Y299 W302 L667 E673 M674 V675 I725 W728	Y299-Y671 VanDerWaalsContact CA-OH 3.3Å; Y299-Y671 WeakPolarHBondContact CA-OH 3.39Å; Y299-Y671 AromaticContact CD2-CD1 3.97Å; Y299-Y671 HydrophobicContact CD2-CD1 3.97Å; Y299-Y671 HydrophobicContact CD2-CD2 4.04Å; Y299-Y671 AromaticContact CD2-CE1 3.77Å; Y299-Y671 HydrophobicContact CD2-CE1 3.77Å; Y299-Y671 AromaticContact CD2-CE2 3.84Å; Y299-Y671 HydrophobicContact CD2-CE2 3.84Å; Y299-Y671 HydrophobicContact CD2-CG 4.11Å; Y299-Y671 AromaticContact CD2-CZ 3.72Å; Y299-Y671 HydrophobicContact CE2-CD1 4.42Å; Y299-Y671 HydrophobicContact CE2-CG 4.46Å; Y299-Y671 HydrophobicContact CG-CE2 4.41Å; Y299-Y671 PolarHBondContact N-OH 3.41Å; W302-Y671 HydrophobicContact CD2-CE1 4.39Å; W302-Y671 HydrophobicContact CE3-CD1 4.14Å; W302-Y671 HydrophobicContact CE3-CE1 4.11Å; W302-Y671 HydrophobicContact CZ3-CD1 4.26Å; L667-Y671 HydrophobicContact CB-CD2 4Å; L667-Y671 HydrophobicContact CB-CE2 4.02Å; L667-Y671 HydrophobicContact CD1-CE2 4.38Å; L667-Y671 WeakPolarHBondContact O-CD2 3.47Å; L667-Y671 PolarHBondContact O-N 3.48Å; L667-Y671 VanDerWaalsContact O-N 3.12Å; Y671-E673 VanDerWaalsContact C-N 3.28Å; Y671-E673 PolarHBondContact O-N 2.93Å; Y671-M674 PolarHBondContact O-N 3.4Å; Y671-V675 VanDerWaalsContact O-CB 3.3Å; Y671-V675 WeakPolarHBondContact O-CB 3.44Å; Y671-V675 WeakPolarHBondContact O-CG2 3.08Å; Y671-V675 PolarHBondContact O-N 2.89Å; Y671-I725 HydrophobicContact CE1-CB 3.9Å; Y671-I725 HydrophobicContact CE1-CG2 3.78Å; Y671-W728 AromaticContact CD1-CD1 3.86Å; Y671-W728 HydrophobicContact CD1-CG 4.31Å; Y671-W728 AromaticContact CD2-CD1 3.86Å; Y671-W728 AromaticContact CD2-NE1 3.76Å; Y671-W728 AromaticContact CG-CD1 3.51Å; Y671-W728 HydrophobicContact CG-CG 4.22Å; Y671-W728 AromaticContact CG-NE1 3.54Å
672	L	91.2	Very high	89.1	Confident	13 Å²	13	22.6 Å²	22.6	7%	0.068	11%	0.109	C	C	.	.	H	α-helix	trans	-58.4	-41.7	178.1	175.9	66.3	0	0	0	111.5	Q561 F668 Y669 I676 W728	Q561-L672 HydrophobicContact CB-CD1 3.99Å; Q561-L672 HydrophobicContact CG-CD1 4.05Å; Q561-L672 HydrophobicContact CG-CD2 3.91Å; F668-L672 HydrophobicContact CE1-CB 4.21Å; F668-L672 HydrophobicContact CE1-CD2 3.73Å; F668-L672 HydrophobicContact CZ-CB 4.11Å; F668-L672 HydrophobicContact CZ-CD1 4.44Å; F668-L672 HydrophobicContact CZ-CD2 3.9Å; F668-L672 HydrophobicContact CZ-CG 4.37Å; F668-L672 VanDerWaalsContact O-CB 3.3Å; F668-L672 WeakPolarHBondContact O-CB 3.23Å; F668-L672 PolarHBondContact O-N 3.46Å; Y669-L672 HydrophobicContact CD1-CD2 4.38Å; Y669-L672 PolarHBondContact O-N 2.93Å; L672-I676 HydrophobicContact CD1-CG1 3.98Å; L672-I676 HydrophobicContact CG-CG1 4.48Å; L672-I676 WeakPolarHBondContact O-CB 3.3Å; L672-I676 VanDerWaalsContact O-CG1 3.26Å; L672-I676 WeakPolarHBondContact O-CG1 3.45Å; L672-I676 PolarHBondContact O-N 2.88Å; L672-W728 HydrophobicContact CB-CH2 3.71Å; L672-W728 HydrophobicContact CB-CZ2 4.12Å; L672-W728 HydrophobicContact CD1-CH2 3.91Å; L672-W728 HydrophobicContact CD1-CZ3 4.37Å; L672-W728 HydrophobicContact CG-CH2 4.41Å
673	E	90.4	Very high	89.6	Confident	28 Å²	28	20.6 Å²	20.6	13%	0.131	10%	0.1	C	C	.	.	H	α-helix	trans	-52.4	-57.8	175.6	-176.8	74.6	-123.8	0	0	110.6	K618 N622 Y669 E670 Y671 I676 Q677 E702	K618-E673 VanDerWaalsContact CE-OE1 3.24Å; K618-E673 WeakPolarHBondContact CE-OE1 3.33Å; K618-E673 PolarHBondContact NZ-O 2.71Å; K618-E673 IonicContact NZ-OE1 2.77Å; K618-E673 PolarHBondContact NZ-OE1 3.34Å; K618-E673 IonicContact NZ-OE2 2.74Å; N622-E673 VanDerWaalsContact ND2-CD 3.32Å; N622-E673 PolarHBondContact ND2-OE1 3.02Å; N622-E673 PolarHBondContact ND2-OE2 3.34Å; Y669-E673 WeakPolarHBondContact O-CB 3.48Å; Y669-E673 PolarHBondContact O-N 3.38Å; E670-E673 WeakPolarHBondContact O-CB 3.34Å; Y671-E673 VanDerWaalsContact C-N 3.28Å; Y671-E673 PolarHBondContact O-N 2.93Å; E673-I676 PolarHBondContact O-N 2.95Å; E673-Q677 PolarHBondContact O-N 2.9Å; E673-E702 WeakPolarHBondContact CG-OE1 3.22Å
674	M	93.7	Very high	90.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-72.2	-32.5	-174.6	-65.5	-68.2	107.3	0	0	113.4	W302 L303 E670 Y671 Q677 F678 N699 E702	W302-M674 HydrophobicContact CH2-CB 3.54Å; W302-M674 HydrophobicContact CZ3-CB 3.43Å; W302-M674 VanDerWaalsContact CZ3-CB 3.43Å; W302-M674 HydrophobicContact CZ3-CG 4.03Å; L303-M674 HydrophobicContact CD1-CG 3.99Å; L303-M674 HydrophobicContact CD1-SD 3.43Å; L303-M674 WeakPolarHBondContact CD1-SD 3.4Å; E670-M674 WeakPolarHBondContact O-CG 3.23Å; E670-M674 PolarHBondContact O-N 3.47Å; Y671-M674 PolarHBondContact O-N 3.4Å; M674-Q677 PolarHBondContact O-N 2.94Å; M674-F678 WeakPolarHBondContact O-CB 3.28Å; M674-F678 PolarHBondContact O-N 3.09Å; M674-N699 PolarHBondContact SD-OD1 3.25Å; M674-E702 HydrophobicContact CE-CB 4.41Å; M674-E702 HydrophobicContact CE-CG 3.71Å; M674-E702 WeakPolarHBondContact CE-OE1 3.25Å; M674-E702 HydrophobicContact SD-CG 4.49Å
675	V	95.3	Very high	91.3	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-71.3	-35.5	174.2	169.9	0	0	0	0	111.1	W302 F558 Y671 F678 G679 W728 I731 L732 I735	W302-V675 HydrophobicContact CH2-CG2 4.41Å; F558-V675 HydrophobicContact CD2-CG1 4.28Å; F558-V675 HydrophobicContact CE2-CG1 4.06Å; Y671-V675 VanDerWaalsContact O-CB 3.3Å; Y671-V675 WeakPolarHBondContact O-CB 3.44Å; Y671-V675 WeakPolarHBondContact O-CG2 3.08Å; Y671-V675 PolarHBondContact O-N 2.89Å; V675-F678 PolarHBondContact O-N 2.93Å; V675-G679 PolarHBondContact O-N 2.8Å; V675-W728 HydrophobicContact CB-CE3 4.15Å; V675-W728 HydrophobicContact CB-CZ3 4.2Å; V675-W728 HydrophobicContact CG1-CE3 4.07Å; V675-W728 HydrophobicContact CG1-CZ3 4.1Å; V675-W728 HydrophobicContact CG2-CD2 4.2Å; V675-W728 HydrophobicContact CG2-CE3 3.73Å; V675-W728 HydrophobicContact CG2-CZ3 4.26Å; V675-I731 HydrophobicContact CG1-CG2 3.72Å; V675-L732 HydrophobicContact CG1-CD2 4.41Å; V675-L732 HydrophobicContact CG2-CD2 4.03Å; V675-L732 HydrophobicContact CG2-CG 4.33Å; V675-I735 HydrophobicContact CG1-CD1 3.74Å
676	I	92.8	Very high	92.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-69.9	-37	170	-68.7	-66	0	0	0	111	Q561 Y565 Y566 L672 E673 G679 F680	Q561-I676 HydrophobicContact CB-CD1 4.36Å; Y565-I676 HydrophobicContact CD2-CD1 4.12Å; Y565-I676 HydrophobicContact CD2-CG1 4.24Å; Y565-I676 HydrophobicContact CD2-CG2 3.87Å; Y565-I676 HydrophobicContact CE2-CG2 4.27Å; Y565-I676 HydrophobicContact CG-CG2 4.16Å; Y566-I676 HydrophobicContact CE2-CD1 3.98Å; Y566-I676 VanDerWaalsContact OH-CA 3.31Å; Y566-I676 WeakPolarHBondContact OH-CA 3.21Å; Y566-I676 PolarHBondContact OH-O 3.26Å; L672-I676 HydrophobicContact CD1-CG1 3.98Å; L672-I676 HydrophobicContact CG-CG1 4.48Å; L672-I676 WeakPolarHBondContact O-CB 3.3Å; L672-I676 VanDerWaalsContact O-CG1 3.26Å; L672-I676 WeakPolarHBondContact O-CG1 3.45Å; L672-I676 PolarHBondContact O-N 2.88Å; E673-I676 PolarHBondContact O-N 2.95Å; I676-G679 PolarHBondContact O-N 3.01Å; I676-F680 HydrophobicContact CG2-CD2 4.01Å; I676-F680 HydrophobicContact CG2-CE2 3.57Å; I676-F680 HydrophobicContact CG2-CZ 4.48Å; I676-F680 WeakPolarHBondContact O-CD2 3.28Å; I676-F680 PolarHBondContact O-N 3.37Å; I676-F680 VanDerWaalsContact O-N 3.12Å
677	Q	94.7	Very high	92.5	Very high	9 Å²	9	9 Å²	9	4%	0.042	4%	0.041	C	C	.	.	H	α-helix	trans	-63.2	-42.7	171.9	-166.5	-172.1	-84.7	0	0	111.8	M615 E673 M674 G679 F680 V681 A695 N698 N699	M615-Q677 HydrophobicContact CE-CG 4.16Å; E673-Q677 PolarHBondContact O-N 2.9Å; M674-Q677 PolarHBondContact O-N 2.94Å; Q677-G679 PolarHBondContact O-N 2.77Å; Q677-F680 PolarHBondContact O-N 3.21Å; Q677-V681 VanDerWaalsContact O-CG2 3.31Å; Q677-V681 WeakPolarHBondContact O-CG2 3.11Å; Q677-V681 PolarHBondContact O-N 3.28Å; Q677-A695 HydrophobicContact CG-CB 4.13Å; Q677-N698 PolarHBondContact OE1-ND2 3.27Å; Q677-N699 PolarHBondContact NE2-OD1 3.18Å
678	F	95.5	Very high	92.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-58.3	-46.4	176	177.8	-98.5	0	0	0	111.6	Y306 W388 V389 F392 M674 V675 F680 V681 T682 L732 I735	Y306-F678 AromaticContact CE2-CD2 3.87Å; Y306-F678 HydrophobicContact CE2-CD2 3.87Å; Y306-F678 VanDerWaalsContact OH-CA 3.27Å; Y306-F678 WeakPolarHBondContact OH-CA 3.36Å; Y306-F678 PolarHBondContact OH-N 3.3Å; W388-F678 HydrophobicContact CZ3-CE2 4.3Å; V389-F678 HydrophobicContact CG1-CZ 4.12Å; V389-F678 HydrophobicContact CG2-CZ 4.43Å; F392-F678 AromaticContact CD1-CE2 3.67Å; F392-F678 HydrophobicContact CD1-CE2 3.67Å; F392-F678 HydrophobicContact CD1-CZ 4.15Å; F392-F678 HydrophobicContact CE1-CD2 4.11Å; F392-F678 AromaticContact CE1-CE2 3.46Å; F392-F678 HydrophobicContact CE1-CE2 3.46Å; F392-F678 VanDerWaalsContact CE1-CE2 3.46Å; F392-F678 HydrophobicContact CE1-CZ 4.03Å; F392-F678 HydrophobicContact CZ-CE2 4.42Å; M674-F678 WeakPolarHBondContact O-CB 3.28Å; M674-F678 PolarHBondContact O-N 3.09Å; V675-F678 PolarHBondContact O-N 2.93Å; F678-F680 PolarHBondContact O-N 3.43Å; F678-V681 CarbonylContact O-C 3.55Å; F678-V681 PolarHBondContact O-N 3.33Å; F678-V681 VanDerWaalsContact O-N 3.1Å; F678-T682 HydrophobicContact CD1-CG2 4.27Å; F678-T682 HydrophobicContact CD2-CG2 4.11Å; F678-T682 HydrophobicContact CE1-CG2 3.99Å; F678-T682 HydrophobicContact CE2-CG2 3.8Å; F678-T682 HydrophobicContact CG-CG2 4.34Å; F678-T682 HydrophobicContact CZ-CG2 3.76Å; F678-T682 WeakPolarHBondContact O-CG2 3.49Å; F678-T682 PolarHBondContact O-N 3.03Å; F678-T682 PolarHBondContact O-OG1 3.49Å; F678-L732 HydrophobicContact CB-CD2 4.13Å; F678-L732 HydrophobicContact CD1-CD2 3.35Å; F678-L732 HydrophobicContact CD2-CD2 4.31Å; F678-L732 HydrophobicContact CE1-CB 4.45Å; F678-L732 HydrophobicContact CE1-CD2 3.69Å; F678-L732 HydrophobicContact CG-CD2 3.69Å; F678-L732 HydrophobicContact CZ-CD2 4.3Å; F678-I735 HydrophobicContact CD1-CB 4.41Å; F678-I735 HydrophobicContact CD1-CD1 4.43Å; F678-I735 HydrophobicContact CD1-CG2 3.95Å; F678-I735 HydrophobicContact CE1-CB 4.25Å; F678-I735 HydrophobicContact CE1-CG2 3.99Å
679	G	95.1	Very high	92.6	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-64.6	-34.9	176.6	0	0	0	0	0	113.9	Y566 V675 I676 Q677 V681 T682 L683	Y566-G679 VanDerWaalsContact OH-CA 3.23Å; Y566-G679 WeakPolarHBondContact OH-CA 3.42Å; V675-G679 PolarHBondContact O-N 2.8Å; I676-G679 PolarHBondContact O-N 3.01Å; Q677-G679 PolarHBondContact O-N 2.77Å; G679-V681 VanDerWaalsContact C-N 3.35Å; G679-T682 PolarHBondContact O-N 3.45Å; G679-L683 WeakPolarHBondContact O-CB 3.48Å; G679-L683 WeakPolarHBondContact O-CD1 3.34Å; G679-L683 WeakPolarHBondContact O-CG 3.28Å; G679-L683 PolarHBondContact O-N 2.94Å
680	F	92.7	Very high	92.7	Very high	7 Å²	7	7.2 Å²	7.2	3%	0.031	4%	0.035	C	C	.	.	H	α-helix	trans	-62.3	-41.9	168.9	-75	-58.8	0	0	0	112.3	Y565 Y566 L611 I614 M615 I676 Q677 F678 T682	Y565-F680 HydrophobicContact CD1-CZ 4.44Å; Y566-F680 AromaticContact CD1-CD1 3.95Å; Y566-F680 HydrophobicContact CD1-CD1 3.95Å; Y566-F680 AromaticContact CD1-CE1 3.63Å; Y566-F680 HydrophobicContact CD1-CE1 3.63Å; Y566-F680 HydrophobicContact CD1-CZ 4.06Å; Y566-F680 AromaticContact CE1-CD1 3.66Å; Y566-F680 HydrophobicContact CE1-CD1 3.66Å; Y566-F680 HydrophobicContact CE1-CD2 4.12Å; Y566-F680 AromaticContact CE1-CE1 3.64Å; Y566-F680 HydrophobicContact CE1-CE1 3.64Å; Y566-F680 HydrophobicContact CE1-CE2 4.11Å; Y566-F680 AromaticContact CE1-CG 3.89Å; Y566-F680 HydrophobicContact CE1-CG 3.89Å; Y566-F680 AromaticContact CE1-CZ 3.86Å; Y566-F680 HydrophobicContact CE1-CZ 3.86Å; L611-F680 HydrophobicContact CD2-CD1 3.7Å; L611-F680 HydrophobicContact CD2-CE1 4.04Å; I614-F680 HydrophobicContact CB-CZ 4.48Å; I614-F680 HydrophobicContact CG2-CE1 4.15Å; I614-F680 HydrophobicContact CG2-CE2 4.16Å; I614-F680 HydrophobicContact CG2-CZ 3.49Å; I614-F680 VanDerWaalsContact CG2-CZ 3.49Å; M615-F680 HydrophobicContact SD-CB 4.24Å; I676-F680 HydrophobicContact CG2-CD2 4.01Å; I676-F680 HydrophobicContact CG2-CE2 3.57Å; I676-F680 HydrophobicContact CG2-CZ 4.48Å; I676-F680 WeakPolarHBondContact O-CD2 3.28Å; I676-F680 PolarHBondContact O-N 3.37Å; I676-F680 VanDerWaalsContact O-N 3.12Å; Q677-F680 PolarHBondContact O-N 3.21Å; F678-F680 PolarHBondContact O-N 3.43Å; F680-T682 PolarHBondContact O-N 3.2Å
681	V	94.3	Very high	92.8	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-70	-26.5	179.6	172.5	0	0	0	0	113.2	L310 M385 M615 Q677 F678 G679 V685 A691 P692 A695	L310-V681 HydrophobicContact CD2-CG1 3.98Å; M385-V681 HydrophobicContact CE-CG1 4.07Å; M615-V681 HydrophobicContact CE-CG2 4Å; Q677-V681 VanDerWaalsContact O-CG2 3.31Å; Q677-V681 WeakPolarHBondContact O-CG2 3.11Å; Q677-V681 PolarHBondContact O-N 3.28Å; F678-V681 CarbonylContact O-C 3.55Å; F678-V681 PolarHBondContact O-N 3.33Å; F678-V681 VanDerWaalsContact O-N 3.1Å; G679-V681 VanDerWaalsContact C-N 3.35Å; V681-V685 WeakPolarHBondContact O-CB 3.06Å; V681-A691 HydrophobicContact CG2-CB 4.49Å; V681-P692 HydrophobicContact CG1-CB 4.28Å; V681-P692 HydrophobicContact CG1-CG 4.07Å; V681-A695 HydrophobicContact CG2-CB 3.44Å; V681-A695 VanDerWaalsContact CG2-CB 3.44Å
682	T	95	Very high	92.8	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.012	3%	0.03	C	C	.	.	H	α-helix	trans	-104.2	-44.7	-177.6	65.1	0	0	0	0	114.1	V389 F678 G679 F680 F684 N743	V389-T682 HydrophobicContact CG2-CG2 3.38Å; F678-T682 HydrophobicContact CD1-CG2 4.27Å; F678-T682 HydrophobicContact CD2-CG2 4.11Å; F678-T682 HydrophobicContact CE1-CG2 3.99Å; F678-T682 HydrophobicContact CE2-CG2 3.8Å; F678-T682 HydrophobicContact CG-CG2 4.34Å; F678-T682 HydrophobicContact CZ-CG2 3.76Å; F678-T682 WeakPolarHBondContact O-CG2 3.49Å; F678-T682 PolarHBondContact O-N 3.03Å; F678-T682 PolarHBondContact O-OG1 3.49Å; G679-T682 PolarHBondContact O-N 3.45Å; F680-T682 PolarHBondContact O-N 3.2Å; T682-F684 PolarHBondContact O-N 3.29Å; T682-N743 PolarHBondContact O-ND2 3.17Å
683	L	94.9	Very high	93	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-68	-35.6	-171.7	-63.8	168.7	0	0	0	112.8	F562 Y566 F570 G679 I735 L738 A739 T742 N743	F562-L683 HydrophobicContact CE2-CD1 4Å; F562-L683 HydrophobicContact CZ-CD1 4.29Å; Y566-L683 HydrophobicContact CD1-CD1 4.23Å; Y566-L683 HydrophobicContact CD2-CD1 4.03Å; Y566-L683 HydrophobicContact CE1-CD1 4.18Å; Y566-L683 HydrophobicContact CE2-CD1 3.99Å; Y566-L683 HydrophobicContact CG-CD1 4.15Å; F570-L683 HydrophobicContact CZ-CD1 4.35Å; G679-L683 WeakPolarHBondContact O-CB 3.48Å; G679-L683 WeakPolarHBondContact O-CD1 3.34Å; G679-L683 WeakPolarHBondContact O-CG 3.28Å; G679-L683 PolarHBondContact O-N 2.94Å; L683-I735 HydrophobicContact CD2-CG2 4.26Å; L683-I735 HydrophobicContact CG-CG2 4.26Å; L683-L738 HydrophobicContact CD2-CB 4.15Å; L683-L738 HydrophobicContact CD2-CD2 4.2Å; L683-L738 HydrophobicContact CD2-CG 3.92Å; L683-A739 HydrophobicContact CD2-CB 4.16Å; L683-T742 HydrophobicContact CB-CG2 4.36Å; L683-T742 WeakPolarHBondContact O-CB 3.2Å; L683-T742 WeakPolarHBondContact O-CG2 3.32Å; L683-N743 PolarHBondContact O-OD1 3.33Å
684	F	94	Very high	93.1	Very high	2 Å²	2	11 Å²	11	1%	0.009	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	11.8	-169.3	-58.3	-82.5	0	0	0	114.1	Y566 C569 F570 L607 L611 T682 A686 S687 I746	Y566-F684 AromaticContact CD1-CE2 3.77Å; Y566-F684 HydrophobicContact CD1-CE2 3.77Å; Y566-F684 HydrophobicContact CE1-CE2 4.48Å; Y566-F684 HydrophobicContact CG-CE2 4.31Å; C569-F684 HydrophobicContact CB-CD1 4.34Å; C569-F684 HydrophobicContact CB-CE1 3.66Å; C569-F684 HydrophobicContact CB-CE2 4.24Å; C569-F684 HydrophobicContact CB-CZ 3.61Å; F570-F684 AromaticContact CD1-CE1 3.95Å; F570-F684 HydrophobicContact CD1-CE1 3.95Å; F570-F684 AromaticContact CD1-CZ 3.81Å; F570-F684 HydrophobicContact CD1-CZ 3.81Å; F570-F684 HydrophobicContact CE1-CE1 4.08Å; F570-F684 AromaticContact CE1-CZ 3.69Å; F570-F684 HydrophobicContact CE1-CZ 3.69Å; F570-F684 HydrophobicContact CG-CZ 4.31Å; F570-F684 HydrophobicContact CZ-CZ 4.07Å; L607-F684 HydrophobicContact CD1-CD1 4.23Å; L607-F684 HydrophobicContact CD1-CE1 4.49Å; L607-F684 HydrophobicContact CD2-CD1 4.46Å; L611-F684 HydrophobicContact CD1-CB 3.5Å; L611-F684 HydrophobicContact CD1-CD1 4.31Å; L611-F684 HydrophobicContact CD1-CG 3.94Å; L611-F684 HydrophobicContact CD2-CB 4.08Å; L611-F684 HydrophobicContact CD2-CD1 4.48Å; L611-F684 HydrophobicContact CD2-CD2 3.8Å; L611-F684 HydrophobicContact CD2-CE2 4.42Å; L611-F684 HydrophobicContact CD2-CG 3.86Å; L611-F684 HydrophobicContact CG-CB 4.47Å; T682-F684 PolarHBondContact O-N 3.29Å; F684-A686 VanDerWaalsContact C-N 3.26Å; F684-A686 PolarHBondContact O-N 3.35Å; F684-S687 PolarHBondContact O-N 3.02Å; F684-S687 PolarHBondContact O-OG 2.95Å; F684-I746 HydrophobicContact CB-CD1 4.46Å; F684-I746 HydrophobicContact CD1-CD1 3.81Å
685	V	93.1	Very high	93.2	Very high	1 Å²	1	11 Å²	11	1%	0.006	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.2	-168.8	77	0	0	0	0	114.2	F381 M385 V681 S687 F688 N743	F381-V685 HydrophobicContact CD1-CG2 4.01Å; F381-V685 HydrophobicContact CE1-CG2 3.51Å; F381-V685 HydrophobicContact CZ-CG2 4.39Å; M385-V685 HydrophobicContact CB-CG1 3.78Å; M385-V685 HydrophobicContact CE-CG2 4.29Å; M385-V685 HydrophobicContact CG-CG1 3.92Å; M385-V685 HydrophobicContact CG-CG2 3.9Å; V681-V685 WeakPolarHBondContact O-CB 3.06Å; V685-S687 PolarHBondContact O-N 3.41Å; V685-F688 CarbonylContact O-C 3.55Å; V685-F688 PolarHBondContact O-N 3.03Å; V685-N743 PolarHBondContact N-OD1 2.84Å
686	A	90.8	Very high	93.2	Very high	5 Å²	5	12.2 Å²	12.2	4%	0.041	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.6	172.1	0	0	0	0	0	113.8	A382 F684 N743 I746 I747	A382-A686 HydrophobicContact CB-CB 4.04Å; F684-A686 VanDerWaalsContact C-N 3.26Å; F684-A686 PolarHBondContact O-N 3.35Å; A686-N743 HydrophobicContact CB-CB 4.09Å; A686-N743 VanDerWaalsContact CB-OD1 3.25Å; A686-N743 WeakPolarHBondContact CB-OD1 3.28Å; A686-N743 PolarHBondContact N-OD1 3.43Å; A686-I746 HydrophobicContact CB-CG2 4.15Å; A686-I747 HydrophobicContact CB-CD1 3.87Å; A686-I747 HydrophobicContact CB-CG1 3.71Å
687	S	89.7	Confident	93.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-36.5	173.8	70.6	0	0	0	0	113	T608 L611 F684 V685	T608-S687 WeakPolarHBondContact CG2-O 3.1Å; L611-S687 WeakPolarHBondContact CD1-OG 3.33Å; F684-S687 PolarHBondContact O-N 3.02Å; F684-S687 PolarHBondContact O-OG 2.95Å; V685-S687 PolarHBondContact O-N 3.41Å
688	F	87.8	Confident	93.2	Very high	21 Å²	21	15.5 Å²	15.5	9%	0.092	8%	0.081	C	C	.	.			trans	-134.2	86.6	-169.2	-170.6	-126.5	0	0	0	112.5	F373 T608 V685 L690 A691 L694	F373-F688 HydrophobicContact CD1-CD2 4.5Å; F373-F688 AromaticContact CE1-CD2 3.88Å; F373-F688 HydrophobicContact CE1-CD2 3.88Å; F373-F688 HydrophobicContact CE1-CE2 4.21Å; T608-F688 HydrophobicContact CG2-CB 4.09Å; T608-F688 HydrophobicContact CG2-CD2 4.38Å; V685-F688 CarbonylContact O-C 3.55Å; V685-F688 PolarHBondContact O-N 3.03Å; F688-L690 HydrophobicContact CD2-CB 4.44Å; F688-L690 HydrophobicContact CE1-CB 4.12Å; F688-L690 HydrophobicContact CE2-CB 3.87Å; F688-L690 HydrophobicContact CE2-CD1 4.22Å; F688-L690 HydrophobicContact CE2-CG 4.46Å; F688-L690 HydrophobicContact CZ-CB 3.68Å; F688-L690 HydrophobicContact CZ-CD1 4.48Å; F688-L690 PolarHBondContact O-N 2.86Å; F688-L690 VanDerWaalsContact O-N 3.08Å; F688-A691 HydrophobicContact CD1-CB 3.82Å; F688-A691 HydrophobicContact CE1-CB 4.44Å; F688-A691 WeakPolarHBondContact O-CB 3.05Å; F688-A691 PolarHBondContact O-N 3.26Å; F688-L694 HydrophobicContact CE1-CD1 3.84Å; F688-L694 HydrophobicContact CZ-CD1 4Å
689	P	90.3	Very high	93.1	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.7	-177.4	-25	35.4	0	0	0	115.3	G317 T378 F381 A691 P692	G317-P689 WeakPolarHBondContact CA-O 3.49Å; T378-P689 HydrophobicContact CG2-CG 3.39Å; F381-P689 HydrophobicContact CD1-CB 3.89Å; F381-P689 HydrophobicContact CD1-CG 4.45Å; F381-P689 HydrophobicContact CE1-CB 4Å; P689-A691 VanDerWaalsContact C-N 3.33Å; P689-P692 WeakPolarHBondContact O-CD 3.35Å
690	L	91.3	Very high	93	Very high	31 Å²	31	18.4 Å²	18.4	16%	0.162	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-6.8	177.2	-64	176.7	0	0	0	113.5	L318 F321 F688 F693 L694	L318-L690 HydrophobicContact CD2-CD2 3.71Å; F321-L690 HydrophobicContact CB-CD2 3.86Å; F321-L690 HydrophobicContact CB-CG 4.32Å; F321-L690 HydrophobicContact CD1-CD1 4.39Å; F321-L690 HydrophobicContact CD1-CD2 4.12Å; F321-L690 HydrophobicContact CD2-CD1 3.79Å; F321-L690 HydrophobicContact CD2-CD2 4.22Å; F321-L690 HydrophobicContact CD2-CG 3.91Å; F321-L690 HydrophobicContact CE1-CD1 4.37Å; F321-L690 HydrophobicContact CE2-CD1 3.76Å; F321-L690 HydrophobicContact CE2-CG 4.39Å; F321-L690 HydrophobicContact CG-CD1 4.12Å; F321-L690 HydrophobicContact CG-CD2 3.8Å; F321-L690 HydrophobicContact CG-CG 4.02Å; F321-L690 HydrophobicContact CZ-CD1 4.06Å; F688-L690 HydrophobicContact CD2-CB 4.44Å; F688-L690 HydrophobicContact CE1-CB 4.12Å; F688-L690 HydrophobicContact CE2-CB 3.87Å; F688-L690 HydrophobicContact CE2-CD1 4.22Å; F688-L690 HydrophobicContact CE2-CG 4.46Å; F688-L690 HydrophobicContact CZ-CB 3.68Å; F688-L690 HydrophobicContact CZ-CD1 4.48Å; F688-L690 PolarHBondContact O-N 2.86Å; F688-L690 VanDerWaalsContact O-N 3.08Å; L690-F693 PolarHBondContact O-N 2.6Å; L690-F693 VanDerWaalsContact O-N 3.09Å; L690-L694 PolarHBondContact O-N 3.21Å; L690-L694 VanDerWaalsContact O-N 3.12Å
691	A	92.5	Very high	93	Very high	3 Å²	3	22 Å²	22	3%	0.025	12%	0.115	C	C	.	.	H	α-helix	trans	-53	-45.9	-179.9	0	0	0	0	0	113.7	M615 V681 F688 P689 F693 L694 A695	M615-A691 WeakPolarHBondContact CE-O 3.49Å; V681-A691 HydrophobicContact CG2-CB 4.49Å; F688-A691 HydrophobicContact CD1-CB 3.82Å; F688-A691 HydrophobicContact CE1-CB 4.44Å; F688-A691 WeakPolarHBondContact O-CB 3.05Å; F688-A691 PolarHBondContact O-N 3.26Å; P689-A691 VanDerWaalsContact C-N 3.33Å; A691-F693 VanDerWaalsContact C-N 3.29Å; A691-F693 PolarHBondContact O-N 3.1Å; A691-L694 PolarHBondContact O-N 3.43Å; A691-A695 WeakPolarHBondContact O-CB 3.48Å; A691-A695 PolarHBondContact O-N 2.93Å
692	P	94.9	Very high	92.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.7	-32.6	179.2	-18.9	32.6	0	0	0	112.8	L310 A313 S314 F381 M385 V681 P689 A695 L696	L310-P692 HydrophobicContact CD2-CB 4.19Å; A313-P692 HydrophobicContact CB-CB 3.96Å; A313-P692 HydrophobicContact CB-CG 4.33Å; S314-P692 PolarHBondContact OG-O 2.99Å; S314-P692 VanDerWaalsContact OG-O 3.06Å; F381-P692 HydrophobicContact CE1-CG 4.43Å; F381-P692 HydrophobicContact CZ-CG 4.08Å; M385-P692 HydrophobicContact CE-CG 4.26Å; M385-P692 HydrophobicContact SD-CG 4.39Å; V681-P692 HydrophobicContact CG1-CB 4.28Å; V681-P692 HydrophobicContact CG1-CG 4.07Å; P689-P692 WeakPolarHBondContact O-CD 3.35Å; P692-A695 PolarHBondContact O-N 3.44Å; P692-L696 WeakPolarHBondContact O-CB 3.28Å; P692-L696 PolarHBondContact O-N 3.23Å
693	F	94.6	Very high	92.9	Very high	79 Å²	79	22.7 Å²	22.7	35%	0.346	12%	0.118	S	C	.	.	H	α-helix	trans	-70.2	-42.9	178.3	174.8	-105.5	0	0	0	111.8	S314 L318 L690 A691 A695 L696 V697	S314-F693 WeakPolarHBondContact OG-CA 3.42Å; S314-F693 PolarHBondContact OG-N 2.68Å; L318-F693 HydrophobicContact CD1-CD2 3.81Å; L318-F693 HydrophobicContact CD1-CE2 4.24Å; L318-F693 HydrophobicContact CD1-CG 4.27Å; L318-F693 HydrophobicContact CD2-CG 4.3Å; L318-F693 HydrophobicContact CG-CB 4.45Å; L318-F693 HydrophobicContact CG-CD2 4.44Å; L318-F693 HydrophobicContact CG-CG 4.41Å; L690-F693 PolarHBondContact O-N 2.6Å; L690-F693 VanDerWaalsContact O-N 3.09Å; A691-F693 VanDerWaalsContact C-N 3.29Å; A691-F693 PolarHBondContact O-N 3.1Å; F693-A695 VanDerWaalsContact C-N 3.33Å; F693-L696 WeakPolarHBondContact O-CB 3.42Å; F693-L696 PolarHBondContact O-N 2.81Å; F693-V697 HydrophobicContact CE1-CG2 4.34Å; F693-V697 HydrophobicContact CE2-CG2 4.18Å; F693-V697 HydrophobicContact CZ-CG2 4.03Å; F693-V697 WeakPolarHBondContact O-CG2 2.95Å; F693-V697 PolarHBondContact O-N 3.27Å
694	L	93.1	Very high	92.8	Very high	69 Å²	69	23.4 Å²	23.4	36%	0.361	12%	0.12	S	C	.	.	H	α-helix	trans	-64.7	-39.2	173.6	-61.6	-170.2	0	0	0	111.6	M615 F688 L690 A691 V697 N698	M615-L694 HydrophobicContact CE-CB 4.16Å; F688-L694 HydrophobicContact CE1-CD1 3.84Å; F688-L694 HydrophobicContact CZ-CD1 4Å; L690-L694 PolarHBondContact O-N 3.21Å; L690-L694 VanDerWaalsContact O-N 3.12Å; A691-L694 PolarHBondContact O-N 3.43Å; L694-V697 PolarHBondContact O-N 3.13Å; L694-N698 PolarHBondContact O-N 3.2Å
695	A	94.6	Very high	92.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-40.4	173.3	0	0	0	0	0	113.1	L310 M615 Q677 V681 A691 P692 F693 N698 N699	L310-A695 HydrophobicContact CD1-CB 3.92Å; L310-A695 HydrophobicContact CD2-CB 4.23Å; M615-A695 HydrophobicContact CE-CB 3.74Å; Q677-A695 HydrophobicContact CG-CB 4.13Å; V681-A695 HydrophobicContact CG2-CB 3.44Å; V681-A695 VanDerWaalsContact CG2-CB 3.44Å; A691-A695 WeakPolarHBondContact O-CB 3.48Å; A691-A695 PolarHBondContact O-N 2.93Å; P692-A695 PolarHBondContact O-N 3.44Å; F693-A695 VanDerWaalsContact C-N 3.33Å; A695-N698 PolarHBondContact O-N 3.1Å; A695-N699 WeakPolarHBondContact O-CB 3.33Å; A695-N699 PolarHBondContact O-N 3.46Å; A695-N699 PolarHBondContact O-OD1 3.46Å
696	L	95.4	Very high	92.8	Very high	26 Å²	26	24.1 Å²	24.1	14%	0.136	13%	0.125	C	C	.	.	H	α-helix	trans	-61.7	-46.5	175.4	177.9	68.8	0	0	0	111.3	T307 L310 A311 P692 F693 N698 N699 I700	T307-L696 HydrophobicContact CG2-CD1 3.88Å; T307-L696 WeakPolarHBondContact O-CD1 3.42Å; L310-L696 HydrophobicContact CB-CB 4.41Å; L310-L696 HydrophobicContact CB-CD1 4.24Å; A311-L696 HydrophobicContact CB-CD1 4Å; A311-L696 HydrophobicContact CB-CD2 4.27Å; P692-L696 WeakPolarHBondContact O-CB 3.28Å; P692-L696 PolarHBondContact O-N 3.23Å; F693-L696 WeakPolarHBondContact O-CB 3.42Å; F693-L696 PolarHBondContact O-N 2.81Å; L696-N698 VanDerWaalsContact C-N 3.35Å; L696-N699 PolarHBondContact O-N 3.45Å; L696-I700 HydrophobicContact CD1-CD1 4.11Å; L696-I700 HydrophobicContact CG-CD1 4Å; L696-I700 WeakPolarHBondContact O-CD1 3.36Å; L696-I700 VanDerWaalsContact O-CG1 3.26Å; L696-I700 WeakPolarHBondContact O-CG1 3.39Å; L696-I700 PolarHBondContact O-N 3.48Å; L696-I700 VanDerWaalsContact O-N 3.13Å
697	V	93.6	Very high	92.9	Very high	65 Å²	65	23.9 Å²	23.9	39%	0.394	12%	0.123	S	C	.	.	H	α-helix	trans	-62.5	-42.7	176.9	173.2	0	0	0	0	110.8	F693 L694 I700 I701	F693-V697 HydrophobicContact CE1-CG2 4.34Å; F693-V697 HydrophobicContact CE2-CG2 4.18Å; F693-V697 HydrophobicContact CZ-CG2 4.03Å; F693-V697 WeakPolarHBondContact O-CG2 2.95Å; F693-V697 PolarHBondContact O-N 3.27Å; L694-V697 PolarHBondContact O-N 3.13Å; V697-I700 PolarHBondContact O-N 3.02Å; V697-I701 HydrophobicContact CG1-CD1 4.44Å; V697-I701 WeakPolarHBondContact O-CG1 3.29Å; V697-I701 PolarHBondContact O-N 3.01Å
698	N	93.4	Very high	93.1	Very high	13 Å²	13	25.9 Å²	25.9	7%	0.07	13%	0.13	C	C	.	.	H	α-helix	trans	-60.9	-53.6	176.1	-165.7	58	0	0	0	111.4	A619 N623 Q677 L694 A695 L696 I700 I701 E702	A619-N698 WeakPolarHBondContact CB-OD1 3.45Å; N623-N698 PolarHBondContact ND2-OD1 3.03Å; Q677-N698 PolarHBondContact OE1-ND2 3.27Å; L694-N698 PolarHBondContact O-N 3.2Å; A695-N698 PolarHBondContact O-N 3.1Å; L696-N698 VanDerWaalsContact C-N 3.35Å; N698-I700 VanDerWaalsContact C-N 3.27Å; N698-I700 PolarHBondContact O-N 3.4Å; N698-I701 CarbonylContact O-C 3.55Å; N698-I701 WeakPolarHBondContact O-CA 3.38Å; N698-I701 WeakPolarHBondContact O-CB 3.26Å; N698-I701 PolarHBondContact O-N 3.5Å; N698-E702 PolarHBondContact O-N 3.49Å
699	N	94.3	Very high	93.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-55.5	-37.6	-179.9	-79.4	27.5	0	0	0	114	L303 Y306 T307 M674 Q677 A695 L696 I701 E702 I703	L303-N699 HydrophobicContact CD1-CB 4.46Å; Y306-N699 VanDerWaalsContact CD1-ND2 3.35Å; Y306-N699 WeakPolarHBondContact CD1-ND2 3.47Å; T307-N699 HydrophobicContact CG2-CB 3.91Å; T307-N699 VanDerWaalsContact OG1-CB 3.29Å; T307-N699 WeakPolarHBondContact OG1-CB 3.45Å; T307-N699 PolarHBondContact OG1-ND2 3.4Å; M674-N699 PolarHBondContact SD-OD1 3.25Å; Q677-N699 PolarHBondContact NE2-OD1 3.18Å; A695-N699 WeakPolarHBondContact O-CB 3.33Å; A695-N699 PolarHBondContact O-N 3.46Å; A695-N699 PolarHBondContact O-OD1 3.46Å; L696-N699 PolarHBondContact O-N 3.45Å; N699-I701 PolarHBondContact O-N 3.4Å; N699-E702 PolarHBondContact O-N 2.85Å; N699-I703 WeakPolarHBondContact O-CB 3.41Å; N699-I703 VanDerWaalsContact O-CG1 3.26Å; N699-I703 WeakPolarHBondContact O-CG1 3.33Å; N699-I703 PolarHBondContact O-N 3.07Å
700	I	93.4	Very high	93.4	Very high	62 Å²	62	25 Å²	25	32%	0.318	13%	0.126	S	C	.	.	H	α-helix	trans	-64.9	-31.5	179.1	-71.3	166.2	0	0	0	111.3	F279 T307 L696 V697 N698	F279-I700 HydrophobicContact CB-CG2 4.3Å; F279-I700 HydrophobicContact CD2-CG2 4.18Å; T307-I700 HydrophobicContact CG2-CG1 4.05Å; L696-I700 HydrophobicContact CD1-CD1 4.11Å; L696-I700 HydrophobicContact CG-CD1 4Å; L696-I700 WeakPolarHBondContact O-CD1 3.36Å; L696-I700 VanDerWaalsContact O-CG1 3.26Å; L696-I700 WeakPolarHBondContact O-CG1 3.39Å; L696-I700 PolarHBondContact O-N 3.48Å; L696-I700 VanDerWaalsContact O-N 3.13Å; V697-I700 PolarHBondContact O-N 3.02Å; N698-I700 VanDerWaalsContact C-N 3.27Å; N698-I700 PolarHBondContact O-N 3.4Å
701	I	92.4	Very high	93.5	Very high	83 Å²	83	23.5 Å²	23.5	43%	0.426	12%	0.118	S	C	.	.	H	α-helix	trans	-78.4	-49.7	172.6	-59.3	169.8	0	0	0	109.6	N623 V697 N698 N699 I703 R704 V705	N623-I701 VanDerWaalsContact OD1-CG2 3.27Å; N623-I701 WeakPolarHBondContact OD1-CG2 3.27Å; V697-I701 HydrophobicContact CG1-CD1 4.44Å; V697-I701 WeakPolarHBondContact O-CG1 3.29Å; V697-I701 PolarHBondContact O-N 3.01Å; N698-I701 CarbonylContact O-C 3.55Å; N698-I701 WeakPolarHBondContact O-CA 3.38Å; N698-I701 WeakPolarHBondContact O-CB 3.26Å; N698-I701 PolarHBondContact O-N 3.5Å; N699-I701 PolarHBondContact O-N 3.4Å; I701-I703 PolarHBondContact O-N 3.08Å; I701-R704 WeakPolarHBondContact O-CA 3.39Å; I701-R704 WeakPolarHBondContact O-CB 3.47Å; I701-R704 PolarHBondContact O-N 2.98Å; I701-V705 HydrophobicContact CG2-CG2 3.95Å; I701-V705 PolarHBondContact O-N 3.26Å
702	E	93.1	Very high	93.5	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.019	12%	0.117	C	C	.	.	H	α-helix	trans	-52.4	-50.3	-176.5	-147.3	86.9	142.1	0	0	112.3	N623 E673 M674 N698 N699 R704 V705 D706	N623-E702 PolarHBondContact ND2-OE2 3.39Å; E673-E702 WeakPolarHBondContact CG-OE1 3.22Å; M674-E702 HydrophobicContact CE-CB 4.41Å; M674-E702 HydrophobicContact CE-CG 3.71Å; M674-E702 WeakPolarHBondContact CE-OE1 3.25Å; M674-E702 HydrophobicContact SD-CG 4.49Å; N698-E702 PolarHBondContact O-N 3.49Å; N699-E702 PolarHBondContact O-N 2.85Å; E702-R704 PolarHBondContact O-N 3.49Å; E702-V705 PolarHBondContact O-N 2.6Å; E702-D706 WeakPolarHBondContact O-CB 3.45Å; E702-D706 VanDerWaalsContact O-CG 3.29Å; E702-D706 PolarHBondContact O-N 3.17Å
703	I	93.3	Very high	93.4	Very high	11 Å²	11	24.1 Å²	24.1	6%	0.056	12%	0.121	C	C	.	.	H	α-helix	trans	-51.4	-31.6	177.2	-73.1	167.3	0	0	0	111.9	Q283 L303 T307 N699 I701 A707	Q283-I703 HydrophobicContact CG-CG2 4.26Å; L303-I703 HydrophobicContact CD2-CB 4.48Å; L303-I703 HydrophobicContact CD2-CG1 3.5Å; L303-I703 VanDerWaalsContact CD2-CG1 3.5Å; L303-I703 HydrophobicContact CG-CD1 4.13Å; L303-I703 HydrophobicContact CG-CG1 3.58Å; T307-I703 HydrophobicContact CG2-CD1 4.34Å; N699-I703 WeakPolarHBondContact O-CB 3.41Å; N699-I703 VanDerWaalsContact O-CG1 3.26Å; N699-I703 WeakPolarHBondContact O-CG1 3.33Å; N699-I703 PolarHBondContact O-N 3.07Å; I701-I703 PolarHBondContact O-N 3.08Å; I703-A707 WeakPolarHBondContact O-CB 3.37Å; I703-A707 PolarHBondContact O-N 3.26Å
704	R	93.1	Very high	93.3	Very high	16 Å²	16	21.7 Å²	21.7	6%	0.06	11%	0.11	C	C	.	.	H	α-helix	trans	-91.7	-34.8	-179.8	-50.5	-54.9	165.1	165.9	1.6	112.5	W273 N278 F279 K281 I701 E702 W708	W273-R704 PolarHBondContact O-NH1 3.09Å; N278-R704 VanDerWaalsContact O-CZ 3.24Å; N278-R704 PolarHBondContact O-NH1 2.66Å; N278-R704 PolarHBondContact O-NH2 2.98Å; F279-R704 PolarHBondContact O-NH2 2.7Å; K281-R704 PolarHBondContact O-NH2 3.49Å; I701-R704 WeakPolarHBondContact O-CA 3.39Å; I701-R704 WeakPolarHBondContact O-CB 3.47Å; I701-R704 PolarHBondContact O-N 2.98Å; E702-R704 PolarHBondContact O-N 3.49Å; R704-W708 WeakPolarHBondContact O-CB 3.32Å; R704-W708 PolarHBondContact O-N 2.94Å
705	V	93.6	Very high	93.3	Very high	16 Å²	16	19.8 Å²	19.8	10%	0.097	10%	0.098	C	C	.	.	H	α-helix	trans	-65.3	-44.5	173.6	172.3	0	0	0	0	110.3	N623 E626 V627 I701 E702 W708 K709	N623-V705 WeakPolarHBondContact OD1-CG2 3.4Å; E626-V705 HydrophobicContact CB-CG1 3.81Å; V627-V705 HydrophobicContact CG2-CG1 3.86Å; V627-V705 HydrophobicContact CG2-CG2 4.04Å; I701-V705 HydrophobicContact CG2-CG2 3.95Å; I701-V705 PolarHBondContact O-N 3.26Å; E702-V705 PolarHBondContact O-N 2.6Å; V705-W708 PolarHBondContact O-N 2.92Å; V705-K709 WeakPolarHBondContact O-CB 3.35Å; V705-K709 WeakPolarHBondContact O-CG 3.38Å; V705-K709 PolarHBondContact O-N 2.9Å
706	D	93.1	Very high	93.2	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-60	-53.2	174	-71.3	-12.9	0	0	0	112.3	Y299 F300 E702 W708 K709 M710	Y299-D706 HydrophobicContact CE1-CB 4.5Å; Y299-D706 VanDerWaalsContact CE1-OD2 3.24Å; Y299-D706 WeakPolarHBondContact CE1-OD2 3.36Å; Y299-D706 VanDerWaalsContact CZ-OD2 3.31Å; Y299-D706 PolarHBondContact OH-OD2 3.36Å; F300-D706 HydrophobicContact CE1-CB 3.58Å; F300-D706 HydrophobicContact CZ-CB 3.61Å; E702-D706 WeakPolarHBondContact O-CB 3.45Å; E702-D706 VanDerWaalsContact O-CG 3.29Å; E702-D706 PolarHBondContact O-N 3.17Å; D706-W708 VanDerWaalsContact C-N 3.25Å; D706-W708 PolarHBondContact O-N 3.22Å; D706-K709 WeakPolarHBondContact O-CG 3Å; D706-K709 PolarHBondContact O-N 3.44Å; D706-K709 WeakPolarHBondContact OD1-CE 3.47Å; D706-K709 IonicContact OD1-NZ 3.17Å; D706-K709 PolarHBondContact OD1-NZ 3.24Å; D706-M710 HydrophobicContact CB-CE 4.48Å; D706-M710 WeakPolarHBondContact O-CB 3.46Å; D706-M710 VanDerWaalsContact O-CG 3.3Å; D706-M710 WeakPolarHBondContact O-CG 3.35Å; D706-M710 PolarHBondContact O-N 2.91Å
707	A	94.1	Very high	93	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.7	-41.3	177.5	0	0	0	0	0	110.9	W273 A274 I703 T711	W273-A707 HydrophobicContact CD2-CB 3.72Å; W273-A707 VanDerWaalsContact CE2-CB 3.48Å; W273-A707 HydrophobicContact CE3-CB 3.85Å; W273-A707 HydrophobicContact CH2-CB 3.62Å; W273-A707 HydrophobicContact CZ2-CB 3.46Å; W273-A707 VanDerWaalsContact CZ2-CB 3.46Å; W273-A707 HydrophobicContact CZ3-CB 3.8Å; A274-A707 HydrophobicContact CB-CB 3.64Å; A274-A707 WeakPolarHBondContact CB-O 3.44Å; I703-A707 WeakPolarHBondContact O-CB 3.37Å; I703-A707 PolarHBondContact O-N 3.26Å; A707-T711 WeakPolarHBondContact O-CB 3.47Å; A707-T711 PolarHBondContact O-N 2.8Å; A707-T711 PolarHBondContact O-OG1 3.49Å
708	W	93.7	Very high	92.8	Very high	43 Å²	43	18.6 Å²	18.6	16%	0.163	9%	0.088	C	C	.	.	H	α-helix	trans	-69.7	-45.4	179.7	178.1	88.4	0	0	0	113	V627 W631 R704 V705 D706 T711 T712 Q713	V627-W708 HydrophobicContact CB-CZ3 4.45Å; V627-W708 HydrophobicContact CG1-CH2 4.19Å; V627-W708 HydrophobicContact CG1-CZ3 4.12Å; W631-W708 HydrophobicContact CB-CH2 4.45Å; R704-W708 WeakPolarHBondContact O-CB 3.32Å; R704-W708 PolarHBondContact O-N 2.94Å; V705-W708 PolarHBondContact O-N 2.92Å; D706-W708 VanDerWaalsContact C-N 3.25Å; D706-W708 PolarHBondContact O-N 3.22Å; W708-T711 PolarHBondContact O-N 3.43Å; W708-T712 WeakPolarHBondContact O-CB 3.46Å; W708-T712 PolarHBondContact O-N 3.16Å; W708-T712 PolarHBondContact O-OG1 3.21Å; W708-Q713 HydrophobicContact CE3-CG 4.3Å; W708-Q713 HydrophobicContact CH2-CG 3.63Å; W708-Q713 HydrophobicContact CZ2-CG 4.23Å; W708-Q713 HydrophobicContact CZ3-CG 3.65Å
709	K	92.4	Very high	92.6	Very high	2 Å²	2	18 Å²	18	1%	0.009	9%	0.085	C	C	.	.	H	α-helix	trans	-64.3	-45.1	-178.7	78.4	-162.9	-171.5	-164.2	0	110.1	E626 E670 V705 D706 Q713 F714	E626-K709 IonicContact OE1-NZ 3.8Å; E626-K709 PolarHBondContact OE1-NZ 2.79Å; E626-K709 WeakPolarHBondContact OE2-CD 3.4Å; E626-K709 IonicContact OE2-NZ 3.6Å; E626-K709 PolarHBondContact OE2-NZ 2.67Å; E670-K709 WeakPolarHBondContact OE1-CE 3.42Å; E670-K709 IonicContact OE1-NZ 3.41Å; E670-K709 PolarHBondContact OE1-NZ 3.16Å; E670-K709 VanDerWaalsContact OE1-NZ 3.13Å; E670-K709 IonicContact OE2-NZ 3.73Å; E670-K709 PolarHBondContact OE2-NZ 3.42Å; V705-K709 WeakPolarHBondContact O-CB 3.35Å; V705-K709 WeakPolarHBondContact O-CG 3.38Å; V705-K709 PolarHBondContact O-N 2.9Å; D706-K709 WeakPolarHBondContact O-CG 3Å; D706-K709 PolarHBondContact O-N 3.44Å; D706-K709 WeakPolarHBondContact OD1-CE 3.47Å; D706-K709 IonicContact OD1-NZ 3.17Å; D706-K709 PolarHBondContact OD1-NZ 3.24Å; K709-Q713 PolarHBondContact O-N 3.48Å; K709-F714 HydrophobicContact CB-CD2 4.36Å; K709-F714 HydrophobicContact CB-CE2 4.16Å; K709-F714 HydrophobicContact CG-CD2 4.29Å; K709-F714 HydrophobicContact CG-CE2 3.99Å; K709-F714 WeakPolarHBondContact O-CD2 3.5Å; K709-F714 PolarHBondContact O-N 3.48Å; K709-F714 VanDerWaalsContact O-N 3.17Å
710	M	92.3	Very high	92.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-70.2	-31.3	177.1	-62	-177	-161.5	0	0	113.6	Y292 I296 F300 L667 E670 D706 I717	Y292-M710 PolarHBondContact OH-O 3.45Å; I296-M710 HydrophobicContact CG2-SD 4.41Å; F300-M710 HydrophobicContact CE2-CE 4.44Å; F300-M710 HydrophobicContact CE2-SD 3.93Å; F300-M710 HydrophobicContact CZ-CE 4.31Å; F300-M710 HydrophobicContact CZ-SD 4.11Å; L667-M710 HydrophobicContact CD2-CE 3.56Å; L667-M710 HydrophobicContact CD2-SD 4.41Å; E670-M710 HydrophobicContact CG-CE 4.47Å; D706-M710 HydrophobicContact CB-CE 4.48Å; D706-M710 WeakPolarHBondContact O-CB 3.46Å; D706-M710 VanDerWaalsContact O-CG 3.3Å; D706-M710 WeakPolarHBondContact O-CG 3.35Å; D706-M710 PolarHBondContact O-N 2.91Å; M710-I717 HydrophobicContact CB-CD1 4.43Å; M710-I717 HydrophobicContact CG-CD1 4.09Å; M710-I717 HydrophobicContact SD-CD1 4.08Å
711	T	93.5	Very high	91.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-81	-33.9	178.9	-57	0	0	0	0	112.9	F253 R266 Y270 Y292 A707 W708	F253-T711 HydrophobicContact CB-CG2 4.3Å; R266-T711 HydrophobicContact CG-CG2 4.07Å; R266-T711 PolarHBondContact NE-O 2.51Å; R266-T711 PolarHBondContact NH2-O 2.97Å; Y270-T711 HydrophobicContact CD2-CG2 4.27Å; Y292-T711 VanDerWaalsContact OH-CA 3.26Å; Y292-T711 WeakPolarHBondContact OH-CA 3.22Å; Y292-T711 PolarHBondContact OH-N 2.99Å; A707-T711 WeakPolarHBondContact O-CB 3.47Å; A707-T711 PolarHBondContact O-N 2.8Å; A707-T711 PolarHBondContact O-OG1 3.49Å; W708-T711 PolarHBondContact O-N 3.43Å
712	T	92.2	Very high	91.2	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	9%	0.088	C	C	.	.	H	α-helix	trans	-118.2	-31.5	-165.9	71.6	0	0	0	0	116.1	F253 Y270 W708	F253-T712 HydrophobicContact CB-CG2 4.28Å; F253-T712 HydrophobicContact CD1-CG2 4.12Å; F253-T712 HydrophobicContact CD2-CG2 3.62Å; F253-T712 HydrophobicContact CE1-CG2 4.38Å; F253-T712 HydrophobicContact CE2-CG2 3.92Å; F253-T712 HydrophobicContact CG-CG2 3.75Å; F253-T712 HydrophobicContact CZ-CG2 4.3Å; Y270-T712 HydrophobicContact CD2-CG2 3.72Å; Y270-T712 HydrophobicContact CE2-CG2 3.67Å; W708-T712 WeakPolarHBondContact O-CB 3.46Å; W708-T712 PolarHBondContact O-N 3.16Å; W708-T712 PolarHBondContact O-OG1 3.21Å
713	Q	92.6	Very high	90.7	Very high	15 Å²	15	23.7 Å²	23.7	7%	0.07	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-31.1	-170.8	-56.2	-50.1	-50.4	0	0	114.5	P630 N634 Q660 W708 K709	P630-Q713 HydrophobicContact CB-CB 4.01Å; P630-Q713 HydrophobicContact CG-CB 4.35Å; P630-Q713 HydrophobicContact CG-CG 4.47Å; N634-Q713 PolarHBondContact ND2-O 2.89Å; N634-Q713 PolarHBondContact ND2-OE1 2.91Å; Q660-Q713 PolarHBondContact N-O 3.43Å; Q660-Q713 VanDerWaalsContact N-O 3.14Å; W708-Q713 HydrophobicContact CE3-CG 4.3Å; W708-Q713 HydrophobicContact CH2-CG 3.63Å; W708-Q713 HydrophobicContact CZ2-CG 4.23Å; W708-Q713 HydrophobicContact CZ3-CG 3.65Å; K709-Q713 PolarHBondContact O-N 3.48Å
714	F	92.6	Very high	90.3	Very high	29 Å²	29	25.2 Å²	25.2	13%	0.127	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-91.6	157.3	175.4	-69.3	-70	0	0	0	112.3	H249 Q660 F662 K709	H249-F714 PolarHBondContact NE2-O 2.93Å; Q660-F714 HydrophobicContact CB-CD1 3.77Å; Q660-F714 HydrophobicContact CB-CE1 3.96Å; Q660-F714 CarbonylContact O-C 3.56Å; Q660-F714 WeakPolarHBondContact O-CA 3.4Å; F662-F714 HydrophobicContact CD2-CD1 4.11Å; F662-F714 HydrophobicContact CD2-CD2 4.22Å; F662-F714 HydrophobicContact CD2-CE1 4.36Å; F662-F714 HydrophobicContact CD2-CE2 4.46Å; F662-F714 HydrophobicContact CD2-CG 4.05Å; K709-F714 HydrophobicContact CB-CD2 4.36Å; K709-F714 HydrophobicContact CB-CE2 4.16Å; K709-F714 HydrophobicContact CG-CD2 4.29Å; K709-F714 HydrophobicContact CG-CE2 3.99Å; K709-F714 WeakPolarHBondContact O-CD2 3.5Å; K709-F714 PolarHBondContact O-N 3.48Å; K709-F714 VanDerWaalsContact O-N 3.17Å
715	R	92.8	Very high	90.2	Very high	29 Å²	29	24.7 Å²	24.7	11%	0.109	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-65.3	161	162.7	-65.4	-178.4	-167	154.3	4.5	110.7	H249 D656 F657 L659 Q660 I717	H249-R715 VanDerWaalsContact NE2-C 3.32Å; D656-R715 VanDerWaalsContact O-CG 3.27Å; D656-R715 WeakPolarHBondContact O-CG 3.43Å; D656-R715 PolarHBondContact O-NE 3.36Å; F657-R715 PolarHBondContact O-NH2 2.88Å; L659-R715 HydrophobicContact CB-CG 3.82Å; L659-R715 PolarHBondContact O-NE 3.42Å; L659-R715 PolarHBondContact O-NH2 2.9Å; Q660-R715 PolarHBondContact O-N 3.42Å; R715-I717 PolarHBondContact O-N 2.9Å; R715-I717 VanDerWaalsContact O-N 3.16Å
716	R	92.7	Very high	89.9	Confident	12 Å²	12	25.1 Å²	25.1	5%	0.045	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-59	122.3	177.6	-169.4	178.1	-167.8	153.6	11.4	109.8	P247 P248 H249 D250 Y291	P247-R716 HydrophobicContact CG-CB 4.16Å; P247-R716 HydrophobicContact CG-CG 4.19Å; P247-R716 WeakPolarHBondContact O-CB 3.42Å; P248-R716 WeakPolarHBondContact O-CD 3.39Å; P248-R716 PolarHBondContact O-NH1 2.91Å; H249-R716 VanDerWaalsContact CE1-CA 3.49Å; H249-R716 WeakPolarHBondContact CE1-CA 3.44Å; H249-R716 PolarHBondContact CE1-N 2.86Å; H249-R716 PolarHBondContact NE2-N 2.88Å; D250-R716 IonicContact OD1-CZ 2.9Å; D250-R716 IonicContact OD1-NH1 2.91Å; D250-R716 PolarHBondContact OD1-NH1 3.11Å; D250-R716 IonicContact OD1-NH2 3.48Å; Y291-R716 VanDerWaalsContact CD2-NH2 3.26Å; Y291-R716 PolarHBondContact O-NE 2.94Å; Y291-R716 PolarHBondContact O-NH2 2.71Å
717	I	91.1	Very high	89.9	Confident	17 Å²	17	25.9 Å²	25.9	9%	0.087	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-71.2	142.3	176.8	-51.7	168.1	0	0	0	107.8	Y292 I296 F662 M710 R715 P719	Y292-I717 HydrophobicContact CD1-CB 4.48Å; I296-I717 HydrophobicContact CD1-CB 3.76Å; I296-I717 HydrophobicContact CD1-CD1 3.59Å; I296-I717 HydrophobicContact CD1-CG1 4.25Å; I296-I717 HydrophobicContact CD1-CG2 3.75Å; F662-I717 HydrophobicContact CB-CG1 4.02Å; F662-I717 HydrophobicContact CD1-CB 4.27Å; F662-I717 HydrophobicContact CD1-CD1 3.81Å; F662-I717 HydrophobicContact CD1-CG1 3.7Å; F662-I717 HydrophobicContact CD1-CG2 3.6Å; F662-I717 HydrophobicContact CD2-CD1 3.86Å; F662-I717 HydrophobicContact CD2-CG1 4.09Å; F662-I717 HydrophobicContact CE1-CD1 3.68Å; F662-I717 HydrophobicContact CE1-CG1 4.09Å; F662-I717 HydrophobicContact CE1-CG2 3.89Å; F662-I717 HydrophobicContact CE2-CD1 3.78Å; F662-I717 HydrophobicContact CE2-CG1 4.48Å; F662-I717 HydrophobicContact CG-CD1 3.89Å; F662-I717 HydrophobicContact CG-CG1 3.68Å; F662-I717 HydrophobicContact CG-CG2 4.41Å; F662-I717 HydrophobicContact CZ-CD1 3.69Å; F662-I717 HydrophobicContact CZ-CG1 4.49Å; M710-I717 HydrophobicContact CB-CD1 4.43Å; M710-I717 HydrophobicContact CG-CD1 4.09Å; M710-I717 HydrophobicContact SD-CD1 4.08Å; R715-I717 PolarHBondContact O-N 2.9Å; R715-I717 VanDerWaalsContact O-N 3.16Å; I717-P719 WeakPolarHBondContact O-CD 3.29Å
718	L	89.1	Confident	89.9	Confident	36 Å²	36	26.3 Å²	26.3	19%	0.188	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-67.3	129.9	177.1	-176	72.8	0	0	0	109.8	F72 N214 E720	F72-L718 HydrophobicContact CE2-CD1 3.87Å; F72-L718 HydrophobicContact CZ-CD1 4.37Å; N214-L718 HydrophobicContact CB-CD1 3.81Å; N214-L718 HydrophobicContact CB-CD2 3.87Å; N214-L718 VanDerWaalsContact CG-CD2 3.49Å; N214-L718 VanDerWaalsContact ND2-CD2 3.3Å; N214-L718 WeakPolarHBondContact ND2-CD2 3.45Å; L718-E720 PolarHBondContact O-N 2.9Å; L718-E720 VanDerWaalsContact O-N 3.16Å
719	P	89.4	Confident	89.8	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.006	13%	0.126	C	C	.	.			trans	-65.4	112.4	174.6	-26.6	38.8	0	0	0	112.4	R211 Y292 I717	R211-P719 VanDerWaalsContact CD-O 3.24Å; R211-P719 WeakPolarHBondContact CD-O 3.43Å; Y292-P719 WeakPolarHBondContact O-CA 3.46Å; I717-P719 WeakPolarHBondContact O-CD 3.29Å
720	E	84.1	Confident	89.9	Confident	71 Å²	71	28.8 Å²	28.8	33%	0.332	15%	0.149	S	C	.	.			trans	-111	138.3	175.1	-69.2	-178.7	177.9	0	0	109.9	E294 K295 L718	E294-E720 PolarHBondContact N-O 2.87Å; K295-E720 HydrophobicContact CB-CB 4.13Å; K295-E720 WeakPolarHBondContact CB-O 3.49Å; K295-E720 HydrophobicContact CD-CB 3.79Å; K295-E720 WeakPolarHBondContact CD-OE2 3.35Å; K295-E720 WeakPolarHBondContact CE-OE2 3.26Å; K295-E720 PolarHBondContact N-O 2.99Å; K295-E720 IonicContact NZ-OE2 2.85Å; K295-E720 PolarHBondContact NZ-OE2 3.08Å; L718-E720 PolarHBondContact O-N 2.9Å; L718-E720 VanDerWaalsContact O-N 3.16Å
721	K	83.2	Confident	90.1	Very high	65 Å²	65	29.2 Å²	29.2	28%	0.283	15%	0.151	S	C	.	.			trans	-76.3	141.9	170.1	-99.4	-166.5	171.1	-165.2	0	110.3	E294 D408 T409	E294-K721 HydrophobicContact CB-CG 4.41Å; E294-K721 HydrophobicContact CG-CG 4.01Å; E294-K721 WeakPolarHBondContact OE1-CE 3.11Å; E294-K721 WeakPolarHBondContact OE1-CG 3.39Å; E294-K721 WeakPolarHBondContact OE2-CG 3.27Å; D408-K721 PolarHBondContact O-NZ 3.43Å; T409-K721 HydrophobicContact CG2-CD 4.4Å
722	A	84	Confident	90.2	Very high	22 Å²	22	29.2 Å²	29.2	18%	0.182	15%	0.151	C	C	.	.			trans	-146.6	140.6	167.1	0	0	0	0	0	108.3	K295 I298	K295-A722 HydrophobicContact CB-CB 3.88Å; K295-A722 HydrophobicContact CG-CB 4.06Å; I298-A722 HydrophobicContact CG2-CB 4.45Å
723	R	81.3	Confident	90.2	Very high	111 Å²	111	32.2 Å²	32.2	42%	0.419	17%	0.165	S	C	.	.	S	Bend	trans	-88.4	-41.1	173.5	73	-171.7	-175.3	-173.3	1.8	111.4	E404	E404-R723 HydrophobicContact CG-CB 4.36Å; E404-R723 WeakPolarHBondContact CG-O 3.38Å
724	D	86.6	Confident	90.3	Very high	42 Å²	42	37 Å²	37	23%	0.225	18%	0.182	C	C	.	.	S	Bend	trans	-125.7	176.5	-171.5	54.1	32.8	0	0	0	110.5	G726	D724-G726 PolarHBondContact O-N 3.4Å; D724-G726 VanDerWaalsContact OD1-CA 3.29Å; D724-G726 WeakPolarHBondContact OD1-CA 3.41Å; D724-G726 PolarHBondContact OD1-N 3.43Å
725	I	90.1	Very high	90.4	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.031	18%	0.176	C	C	.	.			trans	-79.7	17.3	169.2	64.5	174.4	0	0	0	112.5	I298 W302 W396 Y671 W728 Q729 L732	I298-I725 HydrophobicContact CG1-CG2 4.24Å; W302-I725 HydrophobicContact CB-CG2 4.22Å; W302-I725 HydrophobicContact CG-CG2 4.26Å; W396-I725 HydrophobicContact CZ2-CG2 3.94Å; Y671-I725 HydrophobicContact CE1-CB 3.9Å; Y671-I725 HydrophobicContact CE1-CG2 3.78Å; I725-W728 HydrophobicContact CB-CB 4.43Å; I725-W728 HydrophobicContact CD1-CB 3.98Å; I725-W728 HydrophobicContact CG1-CB 4.11Å; I725-W728 WeakPolarHBondContact O-CB 3.2Å; I725-W728 PolarHBondContact O-N 2.95Å; I725-Q729 HydrophobicContact CD1-CB 4.08Å; I725-Q729 HydrophobicContact CG1-CB 3.83Å; I725-L732 HydrophobicContact CD1-CD1 3.91Å
726	G	88.2	Confident	90.4	Very high	24 Å²	24	34.6 Å²	34.6	25%	0.247	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	-144.8	-176.8	0	0	0	0	0	113.9	D724 W728 Q729	D724-G726 PolarHBondContact O-N 3.4Å; D724-G726 VanDerWaalsContact OD1-CA 3.29Å; D724-G726 WeakPolarHBondContact OD1-CA 3.41Å; D724-G726 PolarHBondContact OD1-N 3.43Å; G726-W728 PolarHBondContact O-N 2.94Å; G726-Q729 PolarHBondContact O-N 3.29Å
727	A	91.2	Very high	90.3	Very high	17 Å²	17	37.4 Å²	37.4	14%	0.14	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-13.3	179.5	0	0	0	0	0	115.5	N551 T554 Q729 P730 I731	N551-A727 HydrophobicContact CB-CB 4.18Å; N551-A727 WeakPolarHBondContact OD1-CB 3.42Å; N551-A727 PolarHBondContact OD1-N 3.45Å; T554-A727 HydrophobicContact CG2-CB 3.93Å; A727-Q729 VanDerWaalsContact C-N 3.32Å; A727-Q729 PolarHBondContact O-N 3.01Å; A727-P730 VanDerWaalsContact O-CD 3.32Å; A727-P730 WeakPolarHBondContact O-CD 3.33Å; A727-P730 WeakPolarHBondContact O-CG 3.32Å; A727-I731 WeakPolarHBondContact O-CD1 3.44Å; A727-I731 VanDerWaalsContact O-CG1 3.28Å; A727-I731 WeakPolarHBondContact O-CG1 3.21Å; A727-I731 PolarHBondContact O-N 3.23Å
728	W	94.4	Very high	90.4	Very high	10 Å²	10	38.9 Å²	38.9	4%	0.038	20%	0.197	C	C	.	.	H	α-helix	trans	-66.7	-30.5	176.5	-61.3	119.2	0	0	0	113.4	T554 F558 F668 Y671 L672 V675 I725 G726 I731 L732	T554-W728 HydrophobicContact CG2-CD2 3.82Å; T554-W728 HydrophobicContact CG2-CE3 3.94Å; T554-W728 HydrophobicContact CG2-CH2 3.82Å; T554-W728 HydrophobicContact CG2-CZ2 3.68Å; T554-W728 HydrophobicContact CG2-CZ3 3.93Å; F558-W728 HydrophobicContact CB-CZ3 4.24Å; F558-W728 HydrophobicContact CD2-CZ3 4.27Å; F668-W728 HydrophobicContact CD2-CH2 4.25Å; F668-W728 AromaticContact CD2-CZ2 3.55Å; F668-W728 HydrophobicContact CD2-CZ2 3.55Å; F668-W728 AromaticContact CE2-CH2 3.52Å; F668-W728 HydrophobicContact CE2-CH2 3.52Å; F668-W728 AromaticContact CE2-CZ2 3.3Å; F668-W728 HydrophobicContact CE2-CZ2 3.3Å; F668-W728 AromaticContact CZ-CH2 4Å; F668-W728 HydrophobicContact CZ-CH2 4Å; F668-W728 HydrophobicContact CZ-CZ2 4.11Å; Y671-W728 AromaticContact CD1-CD1 3.86Å; Y671-W728 HydrophobicContact CD1-CG 4.31Å; Y671-W728 AromaticContact CD2-CD1 3.86Å; Y671-W728 AromaticContact CD2-NE1 3.76Å; Y671-W728 AromaticContact CG-CD1 3.51Å; Y671-W728 HydrophobicContact CG-CG 4.22Å; Y671-W728 AromaticContact CG-NE1 3.54Å; L672-W728 HydrophobicContact CB-CH2 3.71Å; L672-W728 HydrophobicContact CB-CZ2 4.12Å; L672-W728 HydrophobicContact CD1-CH2 3.91Å; L672-W728 HydrophobicContact CD1-CZ3 4.37Å; L672-W728 HydrophobicContact CG-CH2 4.41Å; V675-W728 HydrophobicContact CB-CE3 4.15Å; V675-W728 HydrophobicContact CB-CZ3 4.2Å; V675-W728 HydrophobicContact CG1-CE3 4.07Å; V675-W728 HydrophobicContact CG1-CZ3 4.1Å; V675-W728 HydrophobicContact CG2-CD2 4.2Å; V675-W728 HydrophobicContact CG2-CE3 3.73Å; V675-W728 HydrophobicContact CG2-CZ3 4.26Å; I725-W728 HydrophobicContact CB-CB 4.43Å; I725-W728 HydrophobicContact CD1-CB 3.98Å; I725-W728 HydrophobicContact CG1-CB 4.11Å; I725-W728 WeakPolarHBondContact O-CB 3.2Å; I725-W728 PolarHBondContact O-N 2.95Å; G726-W728 PolarHBondContact O-N 2.94Å; W728-I731 HydrophobicContact CE3-CB 4.49Å; W728-I731 HydrophobicContact CE3-CD1 3.77Å; W728-I731 HydrophobicContact CE3-CG2 4.3Å; W728-I731 HydrophobicContact CZ3-CD1 4.04Å; W728-I731 PolarHBondContact O-N 3.17Å; W728-L732 VanDerWaalsContact O-CG 3.29Å; W728-L732 WeakPolarHBondContact O-CG 3.18Å; W728-L732 PolarHBondContact O-N 3.37Å
729	Q	92.7	Very high	90.6	Very high	22 Å²	22	37.4 Å²	37.4	10%	0.103	19%	0.19	C	C	.	.	H	α-helix	trans	-63.8	-52.2	179	-179.6	64.9	-12.4	0	0	113	I725 G726 A727 I731 L732 Q733	I725-Q729 HydrophobicContact CD1-CB 4.08Å; I725-Q729 HydrophobicContact CG1-CB 3.83Å; G726-Q729 PolarHBondContact O-N 3.29Å; A727-Q729 VanDerWaalsContact C-N 3.32Å; A727-Q729 PolarHBondContact O-N 3.01Å; Q729-I731 VanDerWaalsContact C-N 3.3Å; Q729-I731 PolarHBondContact O-N 2.98Å; Q729-L732 PolarHBondContact O-N 3.11Å; Q729-Q733 WeakPolarHBondContact O-CG 3.28Å; Q729-Q733 PolarHBondContact O-N 2.76Å; Q729-Q733 VanDerWaalsContact O-N 3.11Å
730	P	94.6	Very high	90.7	Very high	74 Å²	74	38.2 Å²	38.2	48%	0.481	20%	0.195	S	C	.	.	H	α-helix	trans	-66.3	-28.9	173.7	24.4	-33.2	0	0	0	113.2	A727 Q733 W734	A727-P730 VanDerWaalsContact O-CD 3.32Å; A727-P730 WeakPolarHBondContact O-CD 3.33Å; A727-P730 WeakPolarHBondContact O-CG 3.32Å; P730-Q733 PolarHBondContact O-N 2.92Å; P730-W734 WeakPolarHBondContact O-CB 3.34Å; P730-W734 PolarHBondContact O-N 3.46Å
731	I	95.6	Very high	91.1	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.051	19%	0.187	C	C	.	.	H	α-helix	trans	-62.7	-48.1	172.7	-74.3	167.4	0	0	0	111	T554 F558 V675 A727 W728 Q729 Q733 W734 I735	T554-I731 HydrophobicContact CG2-CD1 3.85Å; F558-I731 HydrophobicContact CB-CD1 3.87Å; F558-I731 HydrophobicContact CD1-CD1 3.94Å; F558-I731 HydrophobicContact CD1-CG1 3.95Å; F558-I731 HydrophobicContact CD1-CG2 3.91Å; F558-I731 HydrophobicContact CD2-CG2 3.74Å; F558-I731 HydrophobicContact CE1-CG1 4.3Å; F558-I731 HydrophobicContact CE1-CG2 3.72Å; F558-I731 HydrophobicContact CE2-CG2 3.54Å; F558-I731 HydrophobicContact CG-CD1 3.83Å; F558-I731 HydrophobicContact CG-CG1 4.27Å; F558-I731 HydrophobicContact CG-CG2 3.92Å; F558-I731 HydrophobicContact CZ-CG2 3.53Å; V675-I731 HydrophobicContact CG1-CG2 3.72Å; A727-I731 WeakPolarHBondContact O-CD1 3.44Å; A727-I731 VanDerWaalsContact O-CG1 3.28Å; A727-I731 WeakPolarHBondContact O-CG1 3.21Å; A727-I731 PolarHBondContact O-N 3.23Å; W728-I731 HydrophobicContact CE3-CB 4.49Å; W728-I731 HydrophobicContact CE3-CD1 3.77Å; W728-I731 HydrophobicContact CE3-CG2 4.3Å; W728-I731 HydrophobicContact CZ3-CD1 4.04Å; W728-I731 PolarHBondContact O-N 3.17Å; Q729-I731 VanDerWaalsContact C-N 3.3Å; Q729-I731 PolarHBondContact O-N 2.98Å; I731-Q733 VanDerWaalsContact C-N 3.31Å; I731-Q733 PolarHBondContact O-N 3.5Å; I731-W734 PolarHBondContact O-N 2.91Å; I731-I735 HydrophobicContact CG2-CD1 3.93Å; I731-I735 HydrophobicContact CG2-CG1 4.49Å; I731-I735 WeakPolarHBondContact O-CG1 3.42Å; I731-I735 PolarHBondContact O-N 3.37Å
732	L	95.1	Very high	91.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61	-39.6	176.5	-70.9	167.4	0	0	0	111.8	W302 L393 V675 F678 I725 W728 Q729 I735 A736	W302-L732 HydrophobicContact CZ2-CD1 3.78Å; W302-L732 HydrophobicContact CZ2-CD2 4.38Å; L393-L732 HydrophobicContact CD2-CB 3.91Å; V675-L732 HydrophobicContact CG1-CD2 4.41Å; V675-L732 HydrophobicContact CG2-CD2 4.03Å; V675-L732 HydrophobicContact CG2-CG 4.33Å; F678-L732 HydrophobicContact CB-CD2 4.13Å; F678-L732 HydrophobicContact CD1-CD2 3.35Å; F678-L732 HydrophobicContact CD2-CD2 4.31Å; F678-L732 HydrophobicContact CE1-CB 4.45Å; F678-L732 HydrophobicContact CE1-CD2 3.69Å; F678-L732 HydrophobicContact CG-CD2 3.69Å; F678-L732 HydrophobicContact CZ-CD2 4.3Å; I725-L732 HydrophobicContact CD1-CD1 3.91Å; W728-L732 VanDerWaalsContact O-CG 3.29Å; W728-L732 WeakPolarHBondContact O-CG 3.18Å; W728-L732 PolarHBondContact O-N 3.37Å; Q729-L732 PolarHBondContact O-N 3.11Å; L732-I735 PolarHBondContact O-N 2.64Å; L732-A736 VanDerWaalsContact O-CB 3.3Å; L732-A736 WeakPolarHBondContact O-CB 3.43Å; L732-A736 PolarHBondContact O-N 2.74Å
733	Q	92.8	Very high	92.1	Very high	64 Å²	64	32.3 Å²	32.3	30%	0.299	17%	0.169	S	C	.	.	H	α-helix	trans	-65	-35.8	174.9	-69.4	173	7.8	0	0	113	L393 Q729 P730 I731 A736 I737	L393-Q733 HydrophobicContact CD1-CG 4.14Å; Q729-Q733 WeakPolarHBondContact O-CG 3.28Å; Q729-Q733 PolarHBondContact O-N 2.76Å; Q729-Q733 VanDerWaalsContact O-N 3.11Å; P730-Q733 PolarHBondContact O-N 2.92Å; I731-Q733 VanDerWaalsContact C-N 3.31Å; I731-Q733 PolarHBondContact O-N 3.5Å; Q733-A736 WeakPolarHBondContact O-CB 3.47Å; Q733-I737 WeakPolarHBondContact O-CG1 3.19Å; Q733-I737 PolarHBondContact O-N 3.41Å
734	W	94.3	Very high	92.6	Very high	115 Å²	115	27.1 Å²	27.1	44%	0.436	15%	0.15	S	C	.	.	H	α-helix	trans	-70.8	-44.8	175.2	179.9	81.3	0	0	0	112	F558 F562 P730 I731 A736 I737 L738	F558-W734 AromaticContact CE1-CE3 3.98Å; F558-W734 HydrophobicContact CE1-CE3 3.98Å; F558-W734 AromaticContact CE1-CZ3 3.91Å; F558-W734 HydrophobicContact CE1-CZ3 3.91Å; F558-W734 HydrophobicContact CZ-CE3 4.14Å; F558-W734 AromaticContact CZ-CZ3 3.98Å; F558-W734 HydrophobicContact CZ-CZ3 3.98Å; F562-W734 HydrophobicContact CD1-CH2 4.36Å; F562-W734 HydrophobicContact CD1-CZ3 4.5Å; F562-W734 HydrophobicContact CD2-CH2 4.38Å; F562-W734 AromaticContact CD2-CZ3 3.77Å; F562-W734 HydrophobicContact CD2-CZ3 3.77Å; F562-W734 HydrophobicContact CE1-CH2 4.01Å; F562-W734 HydrophobicContact CE1-CZ3 4.33Å; F562-W734 HydrophobicContact CE2-CH2 4.04Å; F562-W734 AromaticContact CE2-CZ3 3.56Å; F562-W734 HydrophobicContact CE2-CZ3 3.56Å; F562-W734 HydrophobicContact CG-CZ3 4.28Å; F562-W734 AromaticContact CZ-CH2 3.87Å; F562-W734 HydrophobicContact CZ-CH2 3.87Å; F562-W734 AromaticContact CZ-CZ3 3.89Å; F562-W734 HydrophobicContact CZ-CZ3 3.89Å; P730-W734 WeakPolarHBondContact O-CB 3.34Å; P730-W734 PolarHBondContact O-N 3.46Å; I731-W734 PolarHBondContact O-N 2.91Å; W734-A736 PolarHBondContact O-N 3.41Å; W734-I737 PolarHBondContact O-N 3.33Å; W734-L738 HydrophobicContact CH2-CD2 3.69Å; W734-L738 HydrophobicContact CZ2-CD2 4.04Å; W734-L738 HydrophobicContact CZ3-CD2 4.09Å; W734-L738 PolarHBondContact O-N 3.43Å
735	I	95.4	Very high	92.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.7	-41	172.5	-63.3	168.1	0	0	0	110.3	F558 V675 F678 L683 I731 L732 I737 L738 A739	F558-I735 HydrophobicContact CE2-CD1 3.89Å; F558-I735 HydrophobicContact CE2-CG1 4.48Å; F558-I735 HydrophobicContact CZ-CD1 3.85Å; F558-I735 HydrophobicContact CZ-CG1 3.95Å; V675-I735 HydrophobicContact CG1-CD1 3.74Å; F678-I735 HydrophobicContact CD1-CB 4.41Å; F678-I735 HydrophobicContact CD1-CD1 4.43Å; F678-I735 HydrophobicContact CD1-CG2 3.95Å; F678-I735 HydrophobicContact CE1-CB 4.25Å; F678-I735 HydrophobicContact CE1-CG2 3.99Å; L683-I735 HydrophobicContact CD2-CG2 4.26Å; L683-I735 HydrophobicContact CG-CG2 4.26Å; I731-I735 HydrophobicContact CG2-CD1 3.93Å; I731-I735 HydrophobicContact CG2-CG1 4.49Å; I731-I735 WeakPolarHBondContact O-CG1 3.42Å; I731-I735 PolarHBondContact O-N 3.37Å; L732-I735 PolarHBondContact O-N 2.64Å; I735-I737 PolarHBondContact O-N 2.89Å; I735-L738 PolarHBondContact O-N 3.3Å; I735-A739 VanDerWaalsContact O-CB 3.32Å; I735-A739 WeakPolarHBondContact O-CB 3.36Å; I735-A739 PolarHBondContact O-N 3.31Å
736	A	92.1	Very high	93.1	Very high	8 Å²	8	27.7 Å²	27.7	7%	0.066	15%	0.152	C	C	.	.	H	α-helix	trans	-62	-39.2	178	0	0	0	0	0	113.8	V389 L393 L732 Q733 W734	V389-A736 HydrophobicContact CG1-CB 3.27Å; L393-A736 HydrophobicContact CD1-CB 3.62Å; L732-A736 VanDerWaalsContact O-CB 3.3Å; L732-A736 WeakPolarHBondContact O-CB 3.43Å; L732-A736 PolarHBondContact O-N 2.74Å; Q733-A736 WeakPolarHBondContact O-CB 3.47Å; W734-A736 PolarHBondContact O-N 3.41Å
737	I	90.8	Very high	93.2	Very high	71 Å²	71	26.9 Å²	26.9	36%	0.364	14%	0.141	S	C	.	.	H	α-helix	trans	-67.3	-49.3	174.1	-67.9	163	0	0	0	109.7	Q733 W734 I735 A739 V740 Y848	Q733-I737 WeakPolarHBondContact O-CG1 3.19Å; Q733-I737 PolarHBondContact O-N 3.41Å; W734-I737 PolarHBondContact O-N 3.33Å; I735-I737 PolarHBondContact O-N 2.89Å; I737-A739 PolarHBondContact O-N 3.16Å; I737-V740 PolarHBondContact O-N 2.88Å; I737-Y848 HydrophobicContact CG2-CE1 4.26Å
738	L	93.1	Very high	93.3	Very high	47 Å²	47	26 Å²	26	25%	0.246	14%	0.135	C	C	.	.	H	α-helix	trans	-62.5	-30.3	-179.4	-175.1	58.6	0	0	0	112.9	F562 L683 W734 I735 V740 A741 T742	F562-L738 HydrophobicContact CE1-CD2 4.34Å; F562-L738 HydrophobicContact CE2-CD2 4.13Å; F562-L738 HydrophobicContact CZ-CD2 3.49Å; F562-L738 VanDerWaalsContact CZ-CD2 3.49Å; L683-L738 HydrophobicContact CD2-CB 4.15Å; L683-L738 HydrophobicContact CD2-CD2 4.2Å; L683-L738 HydrophobicContact CD2-CG 3.92Å; W734-L738 HydrophobicContact CH2-CD2 3.69Å; W734-L738 HydrophobicContact CZ2-CD2 4.04Å; W734-L738 HydrophobicContact CZ3-CD2 4.09Å; W734-L738 PolarHBondContact O-N 3.43Å; I735-L738 PolarHBondContact O-N 3.3Å; L738-V740 PolarHBondContact O-N 3.43Å; L738-A741 PolarHBondContact O-N 3.37Å; L738-T742 VanDerWaalsContact O-CB 3.29Å; L738-T742 WeakPolarHBondContact O-CB 3.5Å; L738-T742 PolarHBondContact O-N 2.9Å; L738-T742 PolarHBondContact O-OG1 3.23Å
739	A	94.3	Very high	93	Very high	6 Å²	6	28.6 Å²	28.6	5%	0.05	15%	0.146	C	C	.	.	H	α-helix	trans	-64.2	-34.9	176.8	0	0	0	0	0	113.2	L683 I735 I737 N743	L683-A739 HydrophobicContact CD2-CB 4.16Å; I735-A739 VanDerWaalsContact O-CB 3.32Å; I735-A739 WeakPolarHBondContact O-CB 3.36Å; I735-A739 PolarHBondContact O-N 3.31Å; I737-A739 PolarHBondContact O-N 3.16Å; A739-N743 WeakPolarHBondContact O-CB 3.16Å; A739-N743 PolarHBondContact O-N 2.93Å; A739-N743 PolarHBondContact O-ND2 2.88Å
740	V	91.9	Very high	92.9	Very high	18 Å²	18	27.7 Å²	27.7	11%	0.109	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-55.9	175.8	173	0	0	0	0	110.1	A386 I737 L738 T742 A744 E844 A847 Y848	A386-V740 HydrophobicContact CB-CG2 4.27Å; I737-V740 PolarHBondContact O-N 2.88Å; L738-V740 PolarHBondContact O-N 3.43Å; V740-T742 PolarHBondContact O-N 3.34Å; V740-A744 WeakPolarHBondContact O-CB 3.45Å; V740-A744 PolarHBondContact O-N 2.97Å; V740-A744 VanDerWaalsContact O-N 3.1Å; V740-E844 HydrophobicContact CG1-CG 4.37Å; V740-A847 HydrophobicContact CB-CB 4.48Å; V740-A847 HydrophobicContact CG1-CB 3.51Å; V740-A847 HydrophobicContact CG2-CB 4.09Å; V740-Y848 HydrophobicContact CB-CE1 4.19Å; V740-Y848 HydrophobicContact CG1-CE1 4.14Å; V740-Y848 HydrophobicContact CG2-CE1 4.41Å
741	A	92.4	Very high	92.7	Very high	20 Å²	20	24.3 Å²	24.3	17%	0.165	12%	0.12	C	C	.	.	H	α-helix	trans	-61.6	-41.7	178.5	0	0	0	0	0	112.1	L738 A744 M745	L738-A741 PolarHBondContact O-N 3.37Å; A741-A744 PolarHBondContact O-N 2.99Å; A741-M745 HydrophobicContact CB-CE 4.46Å; A741-M745 WeakPolarHBondContact O-CB 3.39Å; A741-M745 WeakPolarHBondContact O-CG 3.48Å; A741-M745 PolarHBondContact O-N 2.91Å
742	T	94.3	Very high	92.3	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-63.6	-48	-178.8	-55.8	0	0	0	0	111.8	F570 F574 L683 L738 V740 M745 I746	F570-T742 HydrophobicContact CD1-CG2 4.47Å; F570-T742 HydrophobicContact CE1-CG2 3.78Å; F574-T742 HydrophobicContact CE2-CG2 4.31Å; F574-T742 HydrophobicContact CZ-CG2 3.95Å; L683-T742 HydrophobicContact CB-CG2 4.36Å; L683-T742 WeakPolarHBondContact O-CB 3.2Å; L683-T742 WeakPolarHBondContact O-CG2 3.32Å; L738-T742 VanDerWaalsContact O-CB 3.29Å; L738-T742 WeakPolarHBondContact O-CB 3.5Å; L738-T742 PolarHBondContact O-N 2.9Å; L738-T742 PolarHBondContact O-OG1 3.23Å; V740-T742 PolarHBondContact O-N 3.34Å; T742-M745 PolarHBondContact O-N 3.41Å; T742-I746 HydrophobicContact CG2-CD1 3.93Å; T742-I746 HydrophobicContact CG2-CG1 4.48Å; T742-I746 WeakPolarHBondContact O-CG1 3.35Å; T742-I746 PolarHBondContact O-N 3.06Å
743	N	93.2	Very high	92	Very high	13 Å²	13	25 Å²	25	7%	0.07	12%	0.124	C	C	.	.	H	α-helix	trans	-66.5	-39.8	178.4	-73.3	-71.2	0	0	0	112.2	A382 T682 L683 V685 A686 A739 M745 I746 I747	A382-N743 HydrophobicContact CB-CB 4.41Å; T682-N743 PolarHBondContact O-ND2 3.17Å; L683-N743 PolarHBondContact O-OD1 3.33Å; V685-N743 PolarHBondContact N-OD1 2.84Å; A686-N743 HydrophobicContact CB-CB 4.09Å; A686-N743 VanDerWaalsContact CB-OD1 3.25Å; A686-N743 WeakPolarHBondContact CB-OD1 3.28Å; A686-N743 PolarHBondContact N-OD1 3.43Å; A739-N743 WeakPolarHBondContact O-CB 3.16Å; A739-N743 PolarHBondContact O-N 2.93Å; A739-N743 PolarHBondContact O-ND2 2.88Å; N743-M745 VanDerWaalsContact C-N 3.32Å; N743-M745 PolarHBondContact O-N 3.32Å; N743-I746 PolarHBondContact O-N 3.37Å; N743-I747 WeakPolarHBondContact O-CG1 3.41Å; N743-I747 PolarHBondContact O-N 3.37Å
744	A	92.7	Very high	92	Very high	2 Å²	2	22.2 Å²	22.2	2%	0.017	11%	0.111	C	C	.	.	H	α-helix	trans	-59	-43.9	174.3	0	0	0	0	0	111.4	V740 A741 A748 I840 V843	V740-A744 WeakPolarHBondContact O-CB 3.45Å; V740-A744 PolarHBondContact O-N 2.97Å; V740-A744 VanDerWaalsContact O-N 3.1Å; A741-A744 PolarHBondContact O-N 2.99Å; A744-A748 WeakPolarHBondContact O-CB 3.39Å; A744-A748 PolarHBondContact O-N 3.42Å; A744-I840 HydrophobicContact CB-CG2 4.32Å; A744-V843 HydrophobicContact CB-CB 4.46Å; A744-V843 HydrophobicContact CB-CG1 4.17Å
745	M	92.9	Very high	91.8	Very high	59 Å²	59	17 Å²	17	29%	0.291	9%	0.092	S	C	.	.	H	α-helix	trans	-67.6	-36.1	174.7	-71.6	-172.8	-67.4	0	0	113.4	F574 A741 T742 N743 A748 F749 I840	F574-M745 HydrophobicContact CD1-CB 4.33Å; F574-M745 HydrophobicContact CE1-CB 3.51Å; F574-M745 HydrophobicContact CE2-CE 4.14Å; F574-M745 HydrophobicContact CZ-CB 3.7Å; F574-M745 HydrophobicContact CZ-CE 4.1Å; A741-M745 HydrophobicContact CB-CE 4.46Å; A741-M745 WeakPolarHBondContact O-CB 3.39Å; A741-M745 WeakPolarHBondContact O-CG 3.48Å; A741-M745 PolarHBondContact O-N 2.91Å; T742-M745 PolarHBondContact O-N 3.41Å; N743-M745 VanDerWaalsContact C-N 3.32Å; N743-M745 PolarHBondContact O-N 3.32Å; M745-A748 PolarHBondContact O-N 3.25Å; M745-F749 HydrophobicContact CB-CD2 4.24Å; M745-F749 HydrophobicContact CG-CD2 4.49Å; M745-F749 HydrophobicContact CG-CE2 4.49Å; M745-F749 WeakPolarHBondContact O-CB 3.23Å; M745-F749 WeakPolarHBondContact O-CD2 3.37Å; M745-F749 PolarHBondContact O-N 3.16Å; M745-I840 HydrophobicContact CG-CD1 4.35Å
746	I	92.9	Very high	91.6	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.096	C	C	.	.	I	π-helix	trans	-63.5	-46.9	175.7	-72.6	167.2	0	0	0	110.3	A573 F574 L604 L607 F684 A686 T742 N743 A748 T750 S751	A573-I746 HydrophobicContact CB-CG1 4.38Å; F574-I746 HydrophobicContact CE1-CG1 3.82Å; F574-I746 HydrophobicContact CZ-CG1 3.97Å; L604-I746 HydrophobicContact CD1-CG2 4.15Å; L607-I746 HydrophobicContact CD2-CD1 4.5Å; F684-I746 HydrophobicContact CB-CD1 4.46Å; F684-I746 HydrophobicContact CD1-CD1 3.81Å; A686-I746 HydrophobicContact CB-CG2 4.15Å; T742-I746 HydrophobicContact CG2-CD1 3.93Å; T742-I746 HydrophobicContact CG2-CG1 4.48Å; T742-I746 WeakPolarHBondContact O-CG1 3.35Å; T742-I746 PolarHBondContact O-N 3.06Å; N743-I746 PolarHBondContact O-N 3.37Å; I746-A748 VanDerWaalsContact C-N 3.32Å; I746-A748 PolarHBondContact O-N 3.06Å; I746-T750 WeakPolarHBondContact O-CA 3.15Å; I746-T750 WeakPolarHBondContact O-CB 3.31Å; I746-T750 PolarHBondContact O-N 3.25Å; I746-S751 PolarHBondContact O-N 2.97Å
747	I	91.5	Very high	91.5	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.031	11%	0.109	C	C	.	.	I	π-helix	trans	-67.6	-34.8	178.8	-61.1	162.3	0	0	0	111	L379 A382 A686 N743 S751 I753 F839	L379-I747 HydrophobicContact CD1-CD1 4.16Å; L379-I747 HydrophobicContact CD1-CG2 4.32Å; A382-I747 HydrophobicContact CB-CD1 3.8Å; A686-I747 HydrophobicContact CB-CD1 3.87Å; A686-I747 HydrophobicContact CB-CG1 3.71Å; N743-I747 WeakPolarHBondContact O-CG1 3.41Å; N743-I747 PolarHBondContact O-N 3.37Å; I747-S751 WeakPolarHBondContact O-CB 3.48Å; I747-I753 HydrophobicContact CG2-CD1 4.48Å; I747-F839 HydrophobicContact CB-CE1 3.8Å; I747-F839 HydrophobicContact CB-CZ 4.01Å; I747-F839 HydrophobicContact CD1-CZ 4.42Å; I747-F839 HydrophobicContact CG2-CE1 3.6Å; I747-F839 HydrophobicContact CG2-CE2 4.4Å; I747-F839 HydrophobicContact CG2-CZ 3.45Å; I747-F839 VanDerWaalsContact CG2-CZ 3.45Å
748	A	91.8	Very high	91.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-74.7	-43.3	177.5	0	0	0	0	0	113.3	A744 M745 I746 K836 F839 I840	A744-A748 WeakPolarHBondContact O-CB 3.39Å; A744-A748 PolarHBondContact O-N 3.42Å; M745-A748 PolarHBondContact O-N 3.25Å; I746-A748 VanDerWaalsContact C-N 3.32Å; I746-A748 PolarHBondContact O-N 3.06Å; A748-K836 HydrophobicContact CB-CB 4.26Å; A748-K836 WeakPolarHBondContact O-CD 3.46Å; A748-K836 WeakPolarHBondContact O-CE 2.94Å; A748-K836 VanDerWaalsContact O-CG 3.26Å; A748-K836 WeakPolarHBondContact O-CG 3.15Å; A748-K836 PolarHBondContact O-NZ 2.69Å; A748-F839 HydrophobicContact CB-CD1 4.21Å; A748-I840 HydrophobicContact CB-CD1 3.61Å; A748-I840 HydrophobicContact CB-CG1 3.54Å
749	F	89.9	Confident	91.4	Very high	63 Å²	63	16.3 Å²	16.3	28%	0.276	9%	0.086	S	C	.	.	I	π-helix	trans	-110.1	-34.8	-168.6	-66.9	-68.6	0	0	0	115.1	K578 M745 I833 M837 I840	K578-F749 VanDerWaalsContact CE-O 3.31Å; K578-F749 WeakPolarHBondContact CE-O 3.27Å; K578-F749 PolarHBondContact NZ-O 3.34Å; M745-F749 HydrophobicContact CB-CD2 4.24Å; M745-F749 HydrophobicContact CG-CD2 4.49Å; M745-F749 HydrophobicContact CG-CE2 4.49Å; M745-F749 WeakPolarHBondContact O-CB 3.23Å; M745-F749 WeakPolarHBondContact O-CD2 3.37Å; M745-F749 PolarHBondContact O-N 3.16Å; F749-I833 HydrophobicContact CE1-CD1 3.89Å; F749-M837 HydrophobicContact CZ-SD 4.15Å; F749-I840 HydrophobicContact CD2-CD1 4.32Å; F749-I840 HydrophobicContact CE2-CD1 3.55Å; F749-I840 HydrophobicContact CZ-CD1 4.12Å
750	T	89.6	Confident	91.2	Very high	4 Å²	4	19.7 Å²	19.7	3%	0.025	10%	0.098	C	C	.	.	I	π-helix	trans	-91.6	-35.6	-175.8	-36.8	0	0	0	0	112	A573 L604 L607 I746	A573-T750 PolarHBondContact O-OG1 3.3Å; L604-T750 HydrophobicContact CB-CG2 4.47Å; L604-T750 HydrophobicContact CD1-CG2 3.94Å; L607-T750 HydrophobicContact CD2-CG2 4.39Å; I746-T750 WeakPolarHBondContact O-CA 3.15Å; I746-T750 WeakPolarHBondContact O-CB 3.31Å; I746-T750 PolarHBondContact O-N 3.25Å
751	S	89.3	Confident	91.1	Very high	3 Å²	3	26 Å²	26	2%	0.021	12%	0.12	C	C	.	.			trans	-82.3	156.3	176.6	163.3	0	0	0	0	113.3	D374 I746 I747 I753	D374-S751 WeakPolarHBondContact OD1-CB 3.3Å; D374-S751 PolarHBondContact OD1-OG 2.9Å; D374-S751 PolarHBondContact OD2-OG 2.97Å; I746-S751 PolarHBondContact O-N 2.97Å; I747-S751 WeakPolarHBondContact O-CB 3.48Å; S751-I753 WeakPolarHBondContact OG-CB 3.28Å; S751-I753 WeakPolarHBondContact OG-CG1 3.5Å; S751-I753 PolarHBondContact OG-N 2.75Å
752	D	87.9	Confident	90.8	Very high	21 Å²	21	27.1 Å²	27.1	11%	0.112	13%	0.126	C	C	.	.	S	Bend	trans	-103	14.9	172.2	-75.9	-49.2	0	0	0	113.8	D374 R756 R811	D374-D752 PolarHBondContact OD2-N 3.48Å; D752-R756 WeakPolarHBondContact O-CB 3.4Å; D752-R756 VanDerWaalsContact O-CG 3.28Å; D752-R756 WeakPolarHBondContact O-CG 3.49Å; D752-R756 PolarHBondContact O-N 2.71Å; D752-R756 VanDerWaalsContact O-N 3.17Å; D752-R756 PolarHBondContact O-NE 2.96Å; D752-R811 IonicContact OD1-CZ 2.6Å; D752-R811 IonicContact OD1-NH2 3.56Å; D752-R811 PolarHBondContact OD1-NH2 2.77Å; D752-R811 IonicContact OD2-CZ 3.01Å; D752-R811 IonicContact OD2-NH1 3.37Å; D752-R811 PolarHBondContact OD2-NH1 2.8Å; D752-R811 IonicContact OD2-NH2 2.72Å; D752-R811 PolarHBondContact OD2-NH2 2.96Å
753	I	89.6	Confident	90.4	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.015	13%	0.131	C	C	.	.	H	α-helix	trans	-58.5	-48.2	172.5	-70.6	168.5	0	0	0	110.8	F376 L379 I747 S751 R756 L757	F376-I753 HydrophobicContact CD1-CG2 4.37Å; F376-I753 HydrophobicContact CE1-CG2 4.07Å; L379-I753 HydrophobicContact CB-CD1 4.45Å; I747-I753 HydrophobicContact CG2-CD1 4.48Å; S751-I753 WeakPolarHBondContact OG-CB 3.28Å; S751-I753 WeakPolarHBondContact OG-CG1 3.5Å; S751-I753 PolarHBondContact OG-N 2.75Å; I753-R756 PolarHBondContact O-N 2.7Å; I753-L757 VanDerWaalsContact O-CB 3.29Å; I753-L757 WeakPolarHBondContact O-CB 3.06Å; I753-L757 PolarHBondContact O-N 3.44Å
754	I	91.5	Very high	89.8	Confident	6 Å²	6	27.9 Å²	27.9	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-68.2	-46.8	-175.9	-50.2	-58.8	0	0	0	113	R756 L757 V758 A835 K836 F839	I754-R756 PolarHBondContact O-N 3.11Å; I754-L757 PolarHBondContact O-N 3.09Å; I754-V758 HydrophobicContact CG2-CG2 4.37Å; I754-V758 WeakPolarHBondContact O-CG2 3.49Å; I754-V758 PolarHBondContact O-N 3.35Å; I754-A835 HydrophobicContact CG2-CB 3.92Å; I754-K836 HydrophobicContact CB-CG 3.98Å; I754-K836 HydrophobicContact CG1-CG 4.42Å; I754-K836 HydrophobicContact CG2-CG 3.72Å; I754-F839 HydrophobicContact CD1-CB 4.11Å; I754-F839 HydrophobicContact CD1-CD1 4.07Å; I754-F839 HydrophobicContact CD1-CD2 3.6Å; I754-F839 HydrophobicContact CD1-CE1 4.45Å; I754-F839 HydrophobicContact CD1-CE2 4.01Å; I754-F839 HydrophobicContact CD1-CG 3.64Å; I754-F839 HydrophobicContact CD1-CZ 4.41Å; I754-F839 HydrophobicContact CG1-CD1 4.46Å; I754-F839 HydrophobicContact CG1-CG 4.38Å
755	P	91.1	Very high	88.8	Confident	6 Å²	6	31.3 Å²	31.3	4%	0.039	15%	0.15	C	C	.	.	H	α-helix	trans	-57	-43.6	172.3	-26.4	35.7	0	0	0	113.8	V758 Y759 F777 F813 V832	P755-V758 PolarHBondContact O-N 3.24Å; P755-Y759 PolarHBondContact O-N 2.85Å; P755-F777 HydrophobicContact CB-CE2 4.38Å; P755-F777 HydrophobicContact CB-CZ 4.38Å; P755-F813 HydrophobicContact CB-CZ 4.38Å; P755-V832 HydrophobicContact CG-CG1 4.11Å
756	R	89.8	Confident	87.3	Confident	23 Å²	23	35.8 Å²	35.8	9%	0.087	17%	0.17	C	C	.	.	H	α-helix	trans	-62.7	-42.9	176.5	-74.5	179	-67.2	162.6	4.1	111.7	W333 D374 D752 I753 I754 Y759 Y760 M774 F777	W333-R756 VanDerWaalsContact NE1-NH1 3.11Å; D374-R756 PolarHBondContact O-NH1 3.14Å; D374-R756 VanDerWaalsContact O-NH1 3.16Å; D374-R756 PolarHBondContact O-NH2 3.39Å; D374-R756 IonicContact OD1-NH2 2.8Å; D374-R756 IonicContact OD2-CZ 3.21Å; D374-R756 IonicContact OD2-NH2 2.72Å; D374-R756 PolarHBondContact OD2-NH2 3.44Å; D752-R756 WeakPolarHBondContact O-CB 3.4Å; D752-R756 VanDerWaalsContact O-CG 3.28Å; D752-R756 WeakPolarHBondContact O-CG 3.49Å; D752-R756 PolarHBondContact O-N 2.71Å; D752-R756 VanDerWaalsContact O-N 3.17Å; D752-R756 PolarHBondContact O-NE 2.96Å; I753-R756 PolarHBondContact O-N 2.7Å; I754-R756 PolarHBondContact O-N 3.11Å; R756-Y759 PolarHBondContact O-N 3.26Å; R756-Y760 WeakPolarHBondContact O-CB 3.46Å; R756-Y760 PolarHBondContact O-N 2.79Å; R756-M774 HydrophobicContact CB-CE 3.92Å; R756-M774 HydrophobicContact CB-SD 4.03Å; R756-M774 HydrophobicContact CG-SD 4.23Å; R756-F777 HydrophobicContact CB-CE2 4.34Å; R756-F777 HydrophobicContact CB-CZ 4.43Å; R756-F777 HydrophobicContact CG-CD1 4.05Å; R756-F777 HydrophobicContact CG-CD2 4.16Å; R756-F777 HydrophobicContact CG-CE1 3.58Å; R756-F777 HydrophobicContact CG-CE2 3.7Å; R756-F777 HydrophobicContact CG-CG 4.32Å; R756-F777 HydrophobicContact CG-CZ 3.39Å
757	L	90.8	Very high	85.7	Confident	63 Å²	63	40.7 Å²	40.7	33%	0.33	19%	0.193	S	C	.	.	H	α-helix	trans	-63.8	-42.5	177.5	-171.3	67.4	0	0	0	112.1	F376 I753 I754 Y760 W761	F376-L757 HydrophobicContact CE1-CD1 4.4Å; F376-L757 HydrophobicContact CZ-CD1 4.48Å; I753-L757 VanDerWaalsContact O-CB 3.29Å; I753-L757 WeakPolarHBondContact O-CB 3.06Å; I753-L757 PolarHBondContact O-N 3.44Å; I754-L757 PolarHBondContact O-N 3.09Å; L757-Y760 PolarHBondContact O-N 2.73Å; L757-W761 VanDerWaalsContact O-CD1 3.29Å; L757-W761 PolarHBondContact O-N 3.21Å; L757-W761 VanDerWaalsContact O-N 3.09Å
758	V	92.3	Very high	83.8	Confident	11 Å²	11	43.7 Å²	43.7	7%	0.067	23%	0.226	C	C	.	.	H	α-helix	trans	-67.3	-40.3	176.8	171.4	0	0	0	0	111.6	I754 P755 S762 F763 V832 A835	I754-V758 HydrophobicContact CG2-CG2 4.37Å; I754-V758 WeakPolarHBondContact O-CG2 3.49Å; I754-V758 PolarHBondContact O-N 3.35Å; P755-V758 PolarHBondContact O-N 3.24Å; V758-S762 VanDerWaalsContact O-CB 3.32Å; V758-S762 WeakPolarHBondContact O-CB 3.46Å; V758-S762 PolarHBondContact O-N 3.39Å; V758-F763 HydrophobicContact CG1-CD2 4.09Å; V758-F763 HydrophobicContact CG1-CE2 3.74Å; V758-V832 HydrophobicContact CB-CG2 4.14Å; V758-V832 HydrophobicContact CG1-CG2 3.83Å; V758-A835 HydrophobicContact CG2-CB 3.49Å; V758-A835 VanDerWaalsContact CG2-CB 3.49Å
759	Y	90.3	Very high	82	Confident	14 Å²	14	51.4 Å²	51.4	6%	0.055	26%	0.256	C	S	.	.	I	π-helix	trans	-61.5	-49	174.1	-179.9	-108.4	0	0	0	111.6	P755 R756 W761 F763 S764 E767 M774 S775 F777 S780	P755-Y759 PolarHBondContact O-N 2.85Å; R756-Y759 PolarHBondContact O-N 3.26Å; Y759-W761 PolarHBondContact O-N 3.47Å; Y759-F763 HydrophobicContact CD2-CB 3.83Å; Y759-F763 HydrophobicContact CE2-CB 4.22Å; Y759-F763 PolarHBondContact O-N 2.91Å; Y759-F763 VanDerWaalsContact O-N 3.08Å; Y759-S764 PolarHBondContact O-N 3.41Å; Y759-E767 WeakPolarHBondContact CE2-OE2 3.34Å; Y759-E767 PolarHBondContact OH-OE2 3.22Å; Y759-M774 HydrophobicContact CD1-SD 4.35Å; Y759-S775 PolarHBondContact OH-O 2.8Å; Y759-F777 HydrophobicContact CD1-CB 3.82Å; Y759-F777 AromaticContact CD1-CD2 3.86Å; Y759-F777 HydrophobicContact CD1-CD2 3.86Å; Y759-F777 HydrophobicContact CD1-CG 4.34Å; Y759-F777 HydrophobicContact CE1-CB 3.93Å; Y759-F777 AromaticContact CG-CD2 3.88Å; Y759-F777 HydrophobicContact CG-CD2 3.88Å; Y759-S780 WeakPolarHBondContact CD2-OG 3.41Å; Y759-S780 WeakPolarHBondContact CE2-OG 3.49Å
760	Y	89.4	Confident	80.6	Confident	76 Å²	76	52.3 Å²	52.3	30%	0.298	28%	0.282	S	S	.	.	I	π-helix	trans	-57.3	-48.4	-179.4	-174.7	-100.4	0	0	0	112.7	R756 L757 S764 H772 M774	R756-Y760 WeakPolarHBondContact O-CB 3.46Å; R756-Y760 PolarHBondContact O-N 2.79Å; L757-Y760 PolarHBondContact O-N 2.73Å; Y760-S764 PolarHBondContact O-OG 3.01Å; Y760-H772 HydrophobicContact CD1-CB 4.37Å; Y760-H772 HydrophobicContact CD2-CB 4.36Å; Y760-H772 HydrophobicContact CE1-CB 3.79Å; Y760-H772 HydrophobicContact CE2-CB 3.77Å; Y760-H772 VanDerWaalsContact CE2-O 3.27Å; Y760-H772 WeakPolarHBondContact CE2-O 3.5Å; Y760-H772 VanDerWaalsContact CZ-CB 3.44Å; Y760-H772 PolarHBondContact O-ND1 3.31Å; Y760-H772 PolarHBondContact OH-O 2.76Å; Y760-M774 HydrophobicContact CD2-CE 4.27Å; Y760-M774 HydrophobicContact CG-CE 4.37Å
761	W	89.5	Confident	79.9	Confident	152 Å²	152	58.5 Å²	58.5	58%	0.576	32%	0.316	S	S	*	.	I	π-helix	trans	-83.6	-41.9	-176.4	-72.5	110.1	0	0	0	114.7	L757 Y759 H772	L757-W761 VanDerWaalsContact O-CD1 3.29Å; L757-W761 PolarHBondContact O-N 3.21Å; L757-W761 VanDerWaalsContact O-N 3.09Å; Y759-W761 PolarHBondContact O-N 3.47Å; W761-H772 AromaticContact CE3-CE1 3.89Å; W761-H772 AromaticContact CE3-NE2 3.99Å; W761-H772 PolarHBondContact O-CE1 2.74Å
762	S	87.5	Confident	79.5	Confident	43 Å²	43	62 Å²	62	30%	0.301	33%	0.331	S	S	.	.	I	π-helix	trans	-95.7	-32.7	-171.4	-59.4	0	0	0	0	114.5	V758 H831	V758-S762 VanDerWaalsContact O-CB 3.32Å; V758-S762 WeakPolarHBondContact O-CB 3.46Å; V758-S762 PolarHBondContact O-N 3.39Å; S762-H831 PolarHBondContact OG-CE1 2.72Å; S762-H831 PolarHBondContact OG-NE2 3.18Å
763	F	84.5	Confident	79.3	Confident	25 Å²	25	62.7 Å²	62.7	11%	0.11	34%	0.338	C	S	.	.	I	π-helix	trans	-117.7	-25.9	-164.5	-63.8	-60.4	0	0	0	115	V758 Y759 V765 E766 H828 H831	V758-F763 HydrophobicContact CG1-CD2 4.09Å; V758-F763 HydrophobicContact CG1-CE2 3.74Å; Y759-F763 HydrophobicContact CD2-CB 3.83Å; Y759-F763 HydrophobicContact CE2-CB 4.22Å; Y759-F763 PolarHBondContact O-N 2.91Å; Y759-F763 VanDerWaalsContact O-N 3.08Å; F763-V765 PolarHBondContact O-N 3.46Å; F763-V765 VanDerWaalsContact O-N 3.11Å; F763-E766 PolarHBondContact O-N 3.47Å; F763-E766 VanDerWaalsContact O-N 3.13Å; F763-H828 AromaticContact CD1-CE1 3.42Å; F763-H828 VanDerWaalsContact CD1-CE1 3.42Å; F763-H828 WeakPolarHBondContact CD1-CE1 3.45Å; F763-H828 AromaticContact CD1-ND1 3.37Å; F763-H828 WeakPolarHBondContact CD1-ND1 2.87Å; F763-H828 AromaticContact CD2-ND1 3.45Å; F763-H828 WeakPolarHBondContact CD2-ND1 3.49Å; F763-H828 AromaticContact CE1-CE1 3.48Å; F763-H828 VanDerWaalsContact CE1-CE1 3.48Å; F763-H828 WeakPolarHBondContact CE1-CE1 3.43Å; F763-H828 AromaticContact CE1-ND1 3.2Å; F763-H828 WeakPolarHBondContact CE1-ND1 3.46Å; F763-H828 HydrophobicContact CE2-CB 4.18Å; F763-H828 AromaticContact CE2-ND1 3.28Å; F763-H828 VanDerWaalsContact CE2-ND1 3.28Å; F763-H828 WeakPolarHBondContact CE2-ND1 3.43Å; F763-H828 AromaticContact CG-CE1 3.84Å; F763-H828 AromaticContact CG-ND1 3.5Å; F763-H828 WeakPolarHBondContact CG-ND1 3.48Å; F763-H828 HydrophobicContact CZ-CB 4.27Å; F763-H828 AromaticContact CZ-CE1 3.92Å; F763-H828 AromaticContact CZ-CG 3.92Å; F763-H828 AromaticContact CZ-ND1 3.16Å; F763-H828 WeakPolarHBondContact CZ-ND1 3.23Å; F763-H831 HydrophobicContact CE2-CB 4.45Å; F763-H831 HydrophobicContact CZ-CB 4.24Å
764	S	81.3	Confident	79.2	Confident	5 Å²	5	64.2 Å²	64.2	4%	0.035	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22	178.9	71.7	0	0	0	0	114.3	Y759 Y760 S773	Y759-S764 PolarHBondContact O-N 3.41Å; Y760-S764 PolarHBondContact O-OG 3.01Å; S764-S773 WeakPolarHBondContact CB-O 3.49Å; S764-S773 PolarHBondContact OG-N 2.77Å
765	V	71.8	Confident	78.9	Confident	74 Å²	74	66.2 Å²	66.2	45%	0.448	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-29.2	179.2	-174.2	0	0	0	0	112.2	F763 H772	F763-V765 PolarHBondContact O-N 3.46Å; F763-V765 VanDerWaalsContact O-N 3.11Å; V765-H772 VanDerWaalsContact CG2-CE1 3.42Å; V765-H772 WeakPolarHBondContact CG2-CE1 3.14Å
766	E	61.7	Low	78.7	Confident	153 Å²	153	67 Å²	67	72%	0.715	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-27.3	179.4	-64.8	-169.7	127.1	0	0	112.2	F763 G768	F763-E766 PolarHBondContact O-N 3.47Å; F763-E766 VanDerWaalsContact O-N 3.13Å; E766-G768 PolarHBondContact O-N 3.13Å
767	E	57.7	Low	78.7	Confident	104 Å²	104	66.6 Å²	66.6	49%	0.486	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	15.2	-179.4	-61.8	-168.7	119.5	0	0	114.2	Y759	Y759-E767 WeakPolarHBondContact CE2-OE2 3.34Å; Y759-E767 PolarHBondContact OH-OE2 3.22Å
768	G	52.7	Low	78.6	Confident	69 Å²	69	64.3 Å²	64.3	71%	0.711	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	1.5	162.9	0	0	0	0	0	117.2	E766	E766-G768 PolarHBondContact O-N 3.13Å
769	Y	53.5	Low	78.4	Confident	162 Å²	162	67 Å²	67	64%	0.635	37%	0.371	S	S	*	.			trans	-88.9	118.4	166.9	-73.1	-90.5	0	0	0	109.9	N771	Y769-N771 PolarHBondContact O-N 2.59Å
770	G	60.4	Low	78.2	Confident	81 Å²	81	68.5 Å²	68.5	84%	0.835	38%	0.383	S	S	*	.	S	Bend	trans	-68	9.2	-177.3	0	0	0	0	0	116.4
771	N	75.1	Confident	78.2	Confident	135 Å²	135	65.6 Å²	65.6	72%	0.722	37%	0.373	S	S	*	.	S	Bend	trans	-136.5	138.9	178.3	-71.9	-38.2	0	0	0	108.9	Y769 S773	Y769-N771 PolarHBondContact O-N 2.59Å; N771-S773 PolarHBondContact O-N 3.1Å; N771-S773 VanDerWaalsContact O-N 3.16Å
772	H	80.4	Confident	78.3	Confident	75 Å²	75	59 Å²	59	35%	0.347	35%	0.35	S	S	.	.			trans	-57.1	119.2	176.2	-67.3	-81.8	0	0	0	111.8	Y760 W761 V765	Y760-H772 HydrophobicContact CD1-CB 4.37Å; Y760-H772 HydrophobicContact CD2-CB 4.36Å; Y760-H772 HydrophobicContact CE1-CB 3.79Å; Y760-H772 HydrophobicContact CE2-CB 3.77Å; Y760-H772 VanDerWaalsContact CE2-O 3.27Å; Y760-H772 WeakPolarHBondContact CE2-O 3.5Å; Y760-H772 VanDerWaalsContact CZ-CB 3.44Å; Y760-H772 PolarHBondContact O-ND1 3.31Å; Y760-H772 PolarHBondContact OH-O 2.76Å; W761-H772 AromaticContact CE3-CE1 3.89Å; W761-H772 AromaticContact CE3-NE2 3.99Å; W761-H772 PolarHBondContact O-CE1 2.74Å; V765-H772 VanDerWaalsContact CG2-CE1 3.42Å; V765-H772 WeakPolarHBondContact CG2-CE1 3.14Å
773	S	85.4	Confident	78.5	Confident	37 Å²	37	57.3 Å²	57.3	26%	0.259	34%	0.338	S	S	.	.			trans	-129.1	156.7	-179.7	-172.1	0	0	0	0	111.2	S764 N771 S775	S764-S773 WeakPolarHBondContact CB-O 3.49Å; S764-S773 PolarHBondContact OG-N 2.77Å; N771-S773 PolarHBondContact O-N 3.1Å; N771-S773 VanDerWaalsContact O-N 3.16Å; S773-S775 WeakPolarHBondContact CB-OG 3.36Å; S773-S775 WeakPolarHBondContact OG-CB 3.41Å; S773-S775 PolarHBondContact OG-N 2.73Å; S773-S775 VanDerWaalsContact OG-N 3.11Å; S773-S775 PolarHBondContact OG-OG 3.21Å
774	M	85.6	Confident	78.8	Confident	34 Å²	34	60.3 Å²	60.3	17%	0.167	35%	0.349	C	S	.	.			trans	-96.9	-1.3	170.1	-169.1	66	70.9	0	0	111.5	T332 R756 Y759 Y760 F777	T332-M774 WeakPolarHBondContact OG1-CB 3.5Å; T332-M774 VanDerWaalsContact OG1-CG 3.23Å; T332-M774 WeakPolarHBondContact OG1-CG 3.32Å; R756-M774 HydrophobicContact CB-CE 3.92Å; R756-M774 HydrophobicContact CB-SD 4.03Å; R756-M774 HydrophobicContact CG-SD 4.23Å; Y759-M774 HydrophobicContact CD1-SD 4.35Å; Y760-M774 HydrophobicContact CD2-CE 4.27Å; Y760-M774 HydrophobicContact CG-CE 4.37Å; M774-F777 WeakPolarHBondContact O-CB 3.32Å; M774-F777 PolarHBondContact O-N 3Å; M774-F777 HydrophobicContact SD-CB 4.17Å; M774-F777 HydrophobicContact SD-CD2 4.44Å; M774-F777 HydrophobicContact SD-CG 4.27Å
775	S	86.6	Confident	79.3	Confident	49 Å²	49	60 Å²	60	34%	0.343	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	125.5	176.7	56.7	0	0	0	0	111.3	E336 Y759 S773	E336-S775 VanDerWaalsContact OE1-CA 3.24Å; E336-S775 WeakPolarHBondContact OE1-CA 3.17Å; Y759-S775 PolarHBondContact OH-O 2.8Å; S773-S775 WeakPolarHBondContact CB-OG 3.36Å; S773-S775 WeakPolarHBondContact OG-CB 3.41Å; S773-S775 PolarHBondContact OG-N 2.73Å; S773-S775 VanDerWaalsContact OG-N 3.11Å; S773-S775 PolarHBondContact OG-OG 3.21Å
776	G	86.3	Confident	80.2	Confident	23 Å²	23	58.6 Å²	58.6	24%	0.237	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.1	-4	-177.4	0	0	0	0	0	114.2	E336 I778 N779 S780	E336-G776 PolarHBondContact OE1-N 2.8Å; G776-I778 VanDerWaalsContact C-N 3.35Å; G776-I778 PolarHBondContact O-N 3.49Å; G776-N779 WeakPolarHBondContact O-CB 3.37Å; G776-N779 PolarHBondContact O-N 3.44Å; G776-S780 PolarHBondContact O-N 3.46Å; G776-S780 PolarHBondContact O-OG 3.46Å; G776-S780 VanDerWaalsContact O-OG 3.1Å
777	F	89.3	Confident	81.3	Confident	14 Å²	14	51.7 Å²	51.7	6%	0.061	31%	0.305	C	S	.	.	H	α-helix	trans	-57.9	-41.8	-177.5	175.1	-103.2	0	0	0	113.1	W333 E336 P755 R756 Y759 M774 N779 S780 S781	W333-F777 HydrophobicContact CB-CD1 4.06Å; E336-F777 PolarHBondContact OE2-N 3.07Å; P755-F777 HydrophobicContact CB-CE2 4.38Å; P755-F777 HydrophobicContact CB-CZ 4.38Å; R756-F777 HydrophobicContact CB-CE2 4.34Å; R756-F777 HydrophobicContact CB-CZ 4.43Å; R756-F777 HydrophobicContact CG-CD1 4.05Å; R756-F777 HydrophobicContact CG-CD2 4.16Å; R756-F777 HydrophobicContact CG-CE1 3.58Å; R756-F777 HydrophobicContact CG-CE2 3.7Å; R756-F777 HydrophobicContact CG-CG 4.32Å; R756-F777 HydrophobicContact CG-CZ 3.39Å; Y759-F777 HydrophobicContact CD1-CB 3.82Å; Y759-F777 AromaticContact CD1-CD2 3.86Å; Y759-F777 HydrophobicContact CD1-CD2 3.86Å; Y759-F777 HydrophobicContact CD1-CG 4.34Å; Y759-F777 HydrophobicContact CE1-CB 3.93Å; Y759-F777 AromaticContact CG-CD2 3.88Å; Y759-F777 HydrophobicContact CG-CD2 3.88Å; M774-F777 WeakPolarHBondContact O-CB 3.32Å; M774-F777 PolarHBondContact O-N 3Å; M774-F777 HydrophobicContact SD-CB 4.17Å; M774-F777 HydrophobicContact SD-CD2 4.44Å; M774-F777 HydrophobicContact SD-CG 4.27Å; F777-N779 PolarHBondContact O-N 2.98Å; F777-S780 PolarHBondContact O-N 3.24Å; F777-S780 PolarHBondContact O-OG 2.04Å; F777-S781 WeakPolarHBondContact O-CB 3.23Å; F777-S781 PolarHBondContact O-N 3.27Å; F777-S781 PolarHBondContact O-OG 2.94Å
778	I	89.4	Confident	82.5	Confident	14 Å²	14	51.5 Å²	51.5	7%	0.072	31%	0.308	C	S	.	.	H	α-helix	trans	-69.2	-27.2	178.1	-62.1	-60.5	0	0	0	111.4	W333 E336 V337 I346 L360 G776 L782	W333-I778 HydrophobicContact CE3-CD1 4.37Å; E336-I778 HydrophobicContact CB-CB 4.08Å; E336-I778 HydrophobicContact CB-CG1 3.69Å; E336-I778 WeakPolarHBondContact OE2-CB 3.24Å; E336-I778 WeakPolarHBondContact OE2-CG1 3.42Å; E336-I778 PolarHBondContact OE2-N 3.37Å; V337-I778 HydrophobicContact CG2-CD1 3.76Å; V337-I778 HydrophobicContact CG2-CG1 4Å; I346-I778 HydrophobicContact CD1-CG2 3.98Å; L360-I778 HydrophobicContact CD2-CG2 3.45Å; L360-I778 VanDerWaalsContact CD2-CG2 3.45Å; G776-I778 VanDerWaalsContact C-N 3.35Å; G776-I778 PolarHBondContact O-N 3.49Å; I778-L782 HydrophobicContact CG2-CD1 4.24Å; I778-L782 WeakPolarHBondContact O-CD1 3.1Å; I778-L782 WeakPolarHBondContact O-CG 3.48Å
779	N	88.4	Confident	84	Confident	69 Å²	69	51.1 Å²	51.1	37%	0.369	29%	0.289	S	S	.	.	H	α-helix	trans	-78.2	-35.6	179	-167.2	57.3	0	0	0	112.8	G776 F777 R809	G776-N779 WeakPolarHBondContact O-CB 3.37Å; G776-N779 PolarHBondContact O-N 3.44Å; F777-N779 PolarHBondContact O-N 2.98Å; N779-R809 VanDerWaalsContact OD1-CZ 3.28Å; N779-R809 PolarHBondContact OD1-NH1 3.09Å; N779-R809 PolarHBondContact OD1-NH2 3.5Å
780	S	86.4	Confident	85.3	Confident	44 Å²	44	44.8 Å²	44.8	31%	0.308	27%	0.265	S	S	.	.	H	α-helix	trans	-87.9	-24.1	-179.6	53.6	0	0	0	0	114.2	Y759 G776 F777 L782	Y759-S780 WeakPolarHBondContact CD2-OG 3.41Å; Y759-S780 WeakPolarHBondContact CE2-OG 3.49Å; G776-S780 PolarHBondContact O-N 3.46Å; G776-S780 PolarHBondContact O-OG 3.46Å; G776-S780 VanDerWaalsContact O-OG 3.1Å; F777-S780 PolarHBondContact O-N 3.24Å; F777-S780 PolarHBondContact O-OG 2.04Å; S780-L782 VanDerWaalsContact C-N 3.31Å; S780-L782 PolarHBondContact O-N 3.35Å
781	S	88.9	Confident	85.9	Confident	15 Å²	15	42.8 Å²	42.8	11%	0.105	24%	0.238	C	C	.	.	S	Bend	trans	-79.2	-6.2	177.6	57.4	0	0	0	0	115.2	F777	F777-S781 WeakPolarHBondContact O-CB 3.23Å; F777-S781 PolarHBondContact O-N 3.27Å; F777-S781 PolarHBondContact O-OG 2.94Å
782	L	90.7	Very high	85.2	Confident	14 Å²	14	46.3 Å²	46.3	7%	0.073	25%	0.247	C	C	.	.	S	Bend	trans	-113.6	121.4	-176.5	-68.1	178.6	0	0	0	111.7	I346 M348 L360 I778 S780 R809 R811	I346-L782 HydrophobicContact CD1-CD1 4.44Å; I346-L782 HydrophobicContact CG2-CD1 3.93Å; M348-L782 HydrophobicContact CE-CD2 3.91Å; M348-L782 HydrophobicContact SD-CD1 3.91Å; M348-L782 HydrophobicContact SD-CD2 4.18Å; L360-L782 HydrophobicContact CD2-CD1 4.03Å; I778-L782 HydrophobicContact CG2-CD1 4.24Å; I778-L782 WeakPolarHBondContact O-CD1 3.1Å; I778-L782 WeakPolarHBondContact O-CG 3.48Å; S780-L782 VanDerWaalsContact C-N 3.31Å; S780-L782 PolarHBondContact O-N 3.35Å; L782-R809 HydrophobicContact CB-CB 4.25Å; L782-R809 HydrophobicContact CD1-CB 4.49Å; L782-R811 HydrophobicContact CD2-CB 4.09Å
783	S	91.7	Very high	84	Confident	7 Å²	7	46.8 Å²	46.8	5%	0.049	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	145.2	174.1	-73.3	0	0	0	0	111.8	R809 Y810 D812 R814	S783-R809 VanDerWaalsContact O-CA 3.28Å; S783-R809 WeakPolarHBondContact O-CA 3.42Å; S783-Y810 PolarHBondContact N-O 2.97Å; S783-Y810 VanDerWaalsContact O-CD1 3.32Å; S783-Y810 WeakPolarHBondContact O-CD1 3.41Å; S783-Y810 PolarHBondContact O-N 2.98Å; S783-D812 WeakPolarHBondContact CB-O 3.31Å; S783-D812 PolarHBondContact N-O 2.79Å; S783-D812 PolarHBondContact OG-O 2.96Å; S783-R814 PolarHBondContact OG-N 3.03Å
784	Y	92.2	Very high	82.6	Confident	88 Å²	88	45.4 Å²	45.4	35%	0.345	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	139.8	174	-62.9	-101.2	0	0	0	110.7	I807 R809 P817	Y784-I807 HydrophobicContact CD1-CG2 4.04Å; Y784-R809 PolarHBondContact OH-NH2 2.77Å; Y784-R809 VanDerWaalsContact OH-NH2 3.13Å; Y784-P817 WeakPolarHBondContact O-CD 3.08Å
785	F	91.9	Very high	81	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132	174.1	-171.1	-104.9	0	0	0	110.5	P583 G584 D789 F790 I807 C808 Y810 Y823	P583-F785 HydrophobicContact CB-CD1 3.91Å; P583-F785 HydrophobicContact CB-CD2 4.11Å; P583-F785 HydrophobicContact CB-CE1 3.84Å; P583-F785 HydrophobicContact CB-CE2 4.07Å; P583-F785 HydrophobicContact CB-CG 4.05Å; P583-F785 HydrophobicContact CB-CZ 3.94Å; P583-F785 HydrophobicContact CG-CD1 4.41Å; P583-F785 HydrophobicContact CG-CD2 4.23Å; P583-F785 HydrophobicContact CG-CG 4.14Å; G584-F785 VanDerWaalsContact N-CZ 3.31Å; F785-D789 HydrophobicContact CE2-CB 4.11Å; F785-D789 HydrophobicContact CZ-CB 3.85Å; F785-F790 HydrophobicContact CD1-CE2 4.16Å; F785-F790 HydrophobicContact CD1-CZ 4.13Å; F785-F790 AromaticContact CE1-CD1 3.93Å; F785-F790 HydrophobicContact CE1-CD1 3.93Å; F785-F790 AromaticContact CE1-CD2 3.8Å; F785-F790 HydrophobicContact CE1-CD2 3.8Å; F785-F790 AromaticContact CE1-CE1 3.87Å; F785-F790 HydrophobicContact CE1-CE1 3.87Å; F785-F790 AromaticContact CE1-CE2 3.72Å; F785-F790 HydrophobicContact CE1-CE2 3.72Å; F785-F790 AromaticContact CE1-CG 3.88Å; F785-F790 HydrophobicContact CE1-CG 3.88Å; F785-F790 AromaticContact CE1-CZ 3.75Å; F785-F790 HydrophobicContact CE1-CZ 3.75Å; F785-F790 HydrophobicContact CZ-CD1 4.3Å; F785-F790 HydrophobicContact CZ-CE1 4.48Å; F785-F790 HydrophobicContact CZ-CG 4.4Å; F785-I807 WeakPolarHBondContact O-CA 3.1Å; F785-C808 PolarHBondContact N-O 3.15Å; F785-C808 PolarHBondContact O-N 3.38Å; F785-Y810 HydrophobicContact CB-CD1 3.81Å; F785-Y810 HydrophobicContact CB-CE1 3.73Å; F785-Y810 HydrophobicContact CD2-CE1 4.34Å; F785-Y810 HydrophobicContact CG-CE1 4.44Å; F785-Y823 HydrophobicContact CD2-CD1 4.14Å; F785-Y823 AromaticContact CD2-CE1 3.49Å; F785-Y823 HydrophobicContact CD2-CE1 3.49Å; F785-Y823 VanDerWaalsContact CD2-CE1 3.49Å; F785-Y823 HydrophobicContact CD2-CE2 4.47Å; F785-Y823 AromaticContact CD2-CZ 3.67Å; F785-Y823 HydrophobicContact CE2-CE1 4.01Å; F785-Y823 HydrophobicContact CE2-CE2 4.19Å; F785-Y823 AromaticContact CE2-CZ 3.8Å; F785-Y823 HydrophobicContact CG-CE1 4.45Å
786	N	90.1	Very high	79.3	Confident	43 Å²	43	46.3 Å²	46.3	23%	0.23	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.6	172	173.4	19.4	0	0	0	109.7	D788 D789 T806 P817 Y823	N786-D788 PolarHBondContact O-N 3.42Å; N786-D788 VanDerWaalsContact O-N 3.14Å; N786-D788 PolarHBondContact OD1-N 3.06Å; N786-D789 WeakPolarHBondContact CB-OD2 3.45Å; N786-D789 PolarHBondContact O-N 2.96Å; N786-D789 VanDerWaalsContact O-N 3.1Å; N786-T806 PolarHBondContact OD1-O 3.31Å; N786-P817 HydrophobicContact CB-CB 4.07Å; N786-P817 HydrophobicContact CB-CG 4.32Å; N786-Y823 PolarHBondContact N-OH 3.08Å
787	T	84.2	Confident	77.3	Confident	9 Å²	9	53.4 Å²	53.4	6%	0.055	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-66.4	-15.2	-177	53.5	0	0	0	0	114.1	Y357 F790 I805 T806	Y357-T787 HydrophobicContact CE1-CG2 4.1Å; Y357-T787 WeakPolarHBondContact OH-CG2 3.32Å; T787-F790 WeakPolarHBondContact O-CD2 3.47Å; T787-I805 PolarHBondContact OG1-O 3.26Å; T787-T806 PolarHBondContact N-O 3.47Å; T787-T806 WeakPolarHBondContact OG1-CA 3.38Å; T787-T806 PolarHBondContact OG1-O 2.81Å; T787-T806 VanDerWaalsContact OG1-O 3.1Å
788	D	82.8	Confident	75.1	Confident	100 Å²	100	54.9 Å²	54.9	54%	0.535	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-79.9	-17.1	174.3	-71.5	-40.3	0	0	0	114	N786 F790 R801	N786-D788 PolarHBondContact O-N 3.42Å; N786-D788 VanDerWaalsContact O-N 3.14Å; N786-D788 PolarHBondContact OD1-N 3.06Å; D788-F790 PolarHBondContact O-N 2.94Å; D788-R801 IonicContact OD1-CZ 3.94Å; D788-R801 IonicContact OD1-NH1 2.8Å; D788-R801 PolarHBondContact OD1-NH1 3.25Å
789	D	84.2	Confident	73.3	Confident	61 Å²	61	55.8 Å²	55.8	33%	0.326	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-83.8	8.2	179.9	-66	-35.5	0	0	0	113.5	G584 F785 N786 Y823	G584-D789 WeakPolarHBondContact CA-O 3.48Å; F785-D789 HydrophobicContact CE2-CB 4.11Å; F785-D789 HydrophobicContact CZ-CB 3.85Å; N786-D789 WeakPolarHBondContact CB-OD2 3.45Å; N786-D789 PolarHBondContact O-N 2.96Å; N786-D789 VanDerWaalsContact O-N 3.1Å; D789-Y823 HydrophobicContact CB-CE2 4.05Å; D789-Y823 WeakPolarHBondContact OD2-CE2 3.42Å; D789-Y823 PolarHBondContact OD2-OH 2.78Å
790	F	82.3	Confident	71.4	Confident	29 Å²	29	60.4 Å²	60.4	13%	0.127	33%	0.332	C	S	.	.	S	Bend	trans	-67.7	134.8	171.9	-84.8	-63.2	0	0	0	111.4	P350 P583 F785 T787 D788 V795	P350-F790 HydrophobicContact CG-CZ 4.33Å; P583-F790 HydrophobicContact CB-CD1 4.47Å; P583-F790 HydrophobicContact CB-CE1 3.62Å; P583-F790 HydrophobicContact CB-CZ 4.03Å; P583-F790 VanDerWaalsContact O-CD1 3.3Å; P583-F790 WeakPolarHBondContact O-CD1 3.21Å; P583-F790 WeakPolarHBondContact O-CE1 3.42Å; F785-F790 HydrophobicContact CD1-CE2 4.16Å; F785-F790 HydrophobicContact CD1-CZ 4.13Å; F785-F790 AromaticContact CE1-CD1 3.93Å; F785-F790 HydrophobicContact CE1-CD1 3.93Å; F785-F790 AromaticContact CE1-CD2 3.8Å; F785-F790 HydrophobicContact CE1-CD2 3.8Å; F785-F790 AromaticContact CE1-CE1 3.87Å; F785-F790 HydrophobicContact CE1-CE1 3.87Å; F785-F790 AromaticContact CE1-CE2 3.72Å; F785-F790 HydrophobicContact CE1-CE2 3.72Å; F785-F790 AromaticContact CE1-CG 3.88Å; F785-F790 HydrophobicContact CE1-CG 3.88Å; F785-F790 AromaticContact CE1-CZ 3.75Å; F785-F790 HydrophobicContact CE1-CZ 3.75Å; F785-F790 HydrophobicContact CZ-CD1 4.3Å; F785-F790 HydrophobicContact CZ-CE1 4.48Å; F785-F790 HydrophobicContact CZ-CG 4.4Å; T787-F790 WeakPolarHBondContact O-CD2 3.47Å; D788-F790 PolarHBondContact O-N 2.94Å; F790-V795 HydrophobicContact CB-CG2 3.73Å
791	S	71.5	Confident	69.9	Low	39 Å²	39	64.1 Å²	64.1	27%	0.273	34%	0.34	S	S	.	.			trans	-63.3	148.9	178.6	86.5	0	0	0	0	112.3	A793 T794 V795	S791-A793 PolarHBondContact O-N 3.47Å; S791-A793 VanDerWaalsContact O-N 3.08Å; S791-A793 PolarHBondContact OG-N 2.94Å; S791-T794 WeakPolarHBondContact CA-OG1 3.37Å; S791-T794 PolarHBondContact N-OG1 3.35Å; S791-T794 VanDerWaalsContact N-OG1 3.14Å; S791-T794 PolarHBondContact O-N 3.1Å; S791-T794 VanDerWaalsContact O-N 3.15Å; S791-T794 PolarHBondContact O-OG1 3.32Å; S791-T794 PolarHBondContact OG-N 3.25Å; S791-T794 VanDerWaalsContact OG-N 3.09Å; S791-T794 PolarHBondContact OG-OG1 2.99Å; S791-V795 PolarHBondContact O-N 3.04Å; S791-V795 VanDerWaalsContact O-N 3.13Å
792	K	61.8	Low	68.4	Low	209 Å²	209	65.8 Å²	65.8	91%	0.909	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-7.6	175	-63.9	-175.5	179	-178.2	0	114.2
793	A	55.3	Low	66.9	Low	85 Å²	85	71 Å²	71	70%	0.702	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-32.2	173.7	0	0	0	0	0	112.5	S791	S791-A793 PolarHBondContact O-N 3.47Å; S791-A793 VanDerWaalsContact O-N 3.08Å; S791-A793 PolarHBondContact OG-N 2.94Å
794	T	54.3	Low	66	Low	7 Å²	7	77.7 Å²	77.7	4%	0.043	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-30.7	173.9	37.5	0	0	0	0	112.8	P586 Y588 S791 T796	P586-T794 HydrophobicContact CG-CG2 3.65Å; Y588-T794 VanDerWaalsContact OH-CG2 3.24Å; Y588-T794 WeakPolarHBondContact OH-CG2 3.21Å; S791-T794 WeakPolarHBondContact CA-OG1 3.37Å; S791-T794 PolarHBondContact N-OG1 3.35Å; S791-T794 VanDerWaalsContact N-OG1 3.14Å; S791-T794 PolarHBondContact O-N 3.1Å; S791-T794 VanDerWaalsContact O-N 3.15Å; S791-T794 PolarHBondContact O-OG1 3.32Å; S791-T794 PolarHBondContact OG-N 3.25Å; S791-T794 VanDerWaalsContact OG-N 3.09Å; S791-T794 PolarHBondContact OG-OG1 2.99Å; T794-T796 PolarHBondContact O-N 2.92Å
795	V	53.1	Low	65.3	Low	46 Å²	46	75.7 Å²	75.7	28%	0.279	42%	0.415	S	S	.	.			trans	-83.2	92	176.3	-175.9	0	0	0	0	109.3	F790 S791	F790-V795 HydrophobicContact CB-CG2 3.73Å; S791-V795 PolarHBondContact O-N 3.04Å; S791-V795 VanDerWaalsContact O-N 3.13Å
796	T	50.1	Low	65	Low	57 Å²	57	80 Å²	80	35%	0.35	44%	0.441	S	S	.	.			trans	-74.2	148.5	156.7	63	0	0	0	0	109.2	L354 T794 A798 V799	L354-T796 WeakPolarHBondContact CD2-OG1 3.06Å; T794-T796 PolarHBondContact O-N 2.92Å; T796-A798 PolarHBondContact O-N 3.05Å; T796-V799 PolarHBondContact O-N 2.95Å; T796-V799 VanDerWaalsContact O-N 3.1Å
797	D	44.7	Very low	65	Low	171 Å²	171	82 Å²	82	91%	0.914	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-3.8	-179.9	-55.4	-67.3	0	0	0	114.1
798	A	44	Very low	65.3	Low	46 Å²	46	81.6 Å²	81.6	38%	0.38	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-13.5	176.5	0	0	0	0	0	114.1	L354 K490 T796 E800	L354-A798 HydrophobicContact CD2-CB 3.9Å; K490-A798 PolarHBondContact NZ-O 3.22Å; T796-A798 PolarHBondContact O-N 3.05Å; A798-E800 PolarHBondContact O-N 2.04Å; A798-E800 VanDerWaalsContact O-N 3.13Å
799	V	49.9	Very low	65.7	Low	32 Å²	32	78.3 Å²	78.3	19%	0.194	43%	0.428	C	S	.	.	S	Bend	trans	-82	88.1	170.7	-176.5	0	0	0	0	108.3	D353 T796 R801	D353-V799 WeakPolarHBondContact O-CG2 3.27Å; T796-V799 PolarHBondContact O-N 2.95Å; T796-V799 VanDerWaalsContact O-N 3.1Å; V799-R801 PolarHBondContact O-N 3.4Å
800	E	49.4	Very low	65.9	Low	167 Å²	167	76.3 Å²	76.3	78%	0.78	42%	0.416	S	S	*	.			trans	-53.5	106.7	164.6	-69.8	-179	132.3	0	0	108.1	A798 P802	A798-E800 PolarHBondContact O-N 2.04Å; A798-E800 VanDerWaalsContact O-N 3.13Å; E800-P802 WeakPolarHBondContact O-CD 3.13Å
801	R	54.5	Low	66.1	Low	122 Å²	122	79.9 Å²	79.9	46%	0.46	43%	0.429	S	S	.	.			trans	-69.3	111	170.8	-63.6	-177.7	180	-155.1	-2.8	106.7	D788 V799 P803	D788-R801 IonicContact OD1-CZ 3.94Å; D788-R801 IonicContact OD1-NH1 2.8Å; D788-R801 PolarHBondContact OD1-NH1 3.25Å; V799-R801 PolarHBondContact O-N 3.4Å; R801-P803 WeakPolarHBondContact O-CD 3.43Å
802	P	58.2	Low	66.9	Low	49 Å²	49	79.4 Å²	79.4	32%	0.318	42%	0.423	S	S	.	.			trans	-62.9	121.4	169.9	27.3	-32.4	0	0	0	107	Y357 E800 N804 I805	Y357-P802 HydrophobicContact CD2-CG 4.13Å; Y357-P802 HydrophobicContact CE2-CG 4.4Å; E800-P802 WeakPolarHBondContact O-CD 3.13Å; P802-N804 PolarHBondContact O-N 3.3Å; P802-I805 HydrophobicContact CB-CD1 4.35Å; P802-I805 HydrophobicContact CB-CG1 4.39Å; P802-I805 HydrophobicContact CG-CB 4.14Å; P802-I805 HydrophobicContact CG-CD1 3.53Å; P802-I805 HydrophobicContact CG-CG1 3.8Å; P802-I805 PolarHBondContact O-N 3.28Å; P802-I805 VanDerWaalsContact O-N 3.14Å
803	P	57.9	Low	68.3	Low	123 Å²	123	71.4 Å²	71.4	80%	0.799	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-0.9	-167.1	25.6	-35.4	0	0	0	114.6	R801	R801-P803 WeakPolarHBondContact O-CD 3.43Å
804	N	74.3	Confident	70	Confident	149 Å²	149	68.5 Å²	68.5	80%	0.797	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-4.6	-177.7	-57.9	-4.6	0	0	0	113.4	P802	P802-N804 PolarHBondContact O-N 3.3Å
805	I	77.6	Confident	71.9	Confident	46 Å²	46	69.9 Å²	69.9	24%	0.236	37%	0.365	C	S	.	.			trans	-113	104	-176.2	-52.4	-175.6	0	0	0	109.8	V347 Y357 T787 P802	V347-I805 HydrophobicContact CG1-CD1 4.14Å; V347-I805 HydrophobicContact CG1-CG2 4.04Å; Y357-I805 HydrophobicContact CG-CD1 4.43Å; T787-I805 PolarHBondContact OG1-O 3.26Å; P802-I805 HydrophobicContact CB-CD1 4.35Å; P802-I805 HydrophobicContact CB-CG1 4.39Å; P802-I805 HydrophobicContact CG-CB 4.14Å; P802-I805 HydrophobicContact CG-CD1 3.53Å; P802-I805 HydrophobicContact CG-CG1 3.8Å; P802-I805 PolarHBondContact O-N 3.28Å; P802-I805 VanDerWaalsContact O-N 3.14Å
806	T	84.9	Confident	73.8	Confident	91 Å²	91	70.5 Å²	70.5	56%	0.558	37%	0.37	S	S	*	.			trans	-99.3	-20.3	178	52.1	0	0	0	0	113.6	N786 T787	N786-T806 PolarHBondContact OD1-O 3.31Å; T787-T806 PolarHBondContact N-O 3.47Å; T787-T806 WeakPolarHBondContact OG1-CA 3.38Å; T787-T806 PolarHBondContact OG1-O 2.81Å; T787-T806 VanDerWaalsContact OG1-O 3.1Å
807	I	89.2	Confident	75.7	Confident	84 Å²	84	69.7 Å²	69.7	43%	0.431	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	132.5	-177.2	-58.6	177.7	0	0	0	108.6	Y784 F785	Y784-I807 HydrophobicContact CD1-CG2 4.04Å; F785-I807 WeakPolarHBondContact O-CA 3.1Å
808	C	90.5	Very high	77.8	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	158.5	167.2	67.3	0	0	0	0	110.2	C349 Y357 F785	C349-C808 VanDerWaalsContact CA-SG 3.53Å; C349-C808 HydrophobicContact CB-CB 4Å; C349-C808 WeakPolarHBondContact CB-SG 3.38Å; C349-C808 WeakPolarHBondContact SG-CB 3.4Å; C349-C808 CovalentContact SG-SG 2.04Å; C349-C808 PolarHBondContact SG-SG 3Å; Y357-C808 HydrophobicContact CD1-CB 4.03Å; Y357-C808 HydrophobicContact CE1-CB 3.88Å; F785-C808 PolarHBondContact N-O 3.15Å; F785-C808 PolarHBondContact O-N 3.38Å
809	R	91.2	Very high	80.1	Confident	32 Å²	32	65.6 Å²	65.6	12%	0.121	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	153.1	175.7	-66.7	-160.3	-169.8	175.5	-1.2	112.8	I346 V347 M348 C349 N779 L782 S783 Y784	I346-R809 HydrophobicContact CG2-CB 4.28Å; I346-R809 HydrophobicContact CG2-CG 4.39Å; V347-R809 PolarHBondContact O-N 3.32Å; M348-R809 CarbonylContact C-O 3.59Å; M348-R809 WeakPolarHBondContact CA-O 3Å; M348-R809 HydrophobicContact SD-CB 3.68Å; C349-R809 PolarHBondContact N-O 3.27Å; C349-R809 PolarHBondContact SG-O 2.9Å; N779-R809 VanDerWaalsContact OD1-CZ 3.28Å; N779-R809 PolarHBondContact OD1-NH1 3.09Å; N779-R809 PolarHBondContact OD1-NH2 3.5Å; L782-R809 HydrophobicContact CB-CB 4.25Å; L782-R809 HydrophobicContact CD1-CB 4.49Å; S783-R809 VanDerWaalsContact O-CA 3.28Å; S783-R809 WeakPolarHBondContact O-CA 3.42Å; Y784-R809 PolarHBondContact OH-NH2 2.77Å; Y784-R809 VanDerWaalsContact OH-NH2 3.13Å
810	Y	89.3	Confident	82.1	Confident	19 Å²	19	70.1 Å²	70.1	8%	0.075	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	155.7	176.2	68.5	-72.6	0	0	0	111.5	H582 P583 S783 F785 D812 R814	H582-Y810 HydrophobicContact CB-CE2 3.96Å; P583-Y810 HydrophobicContact CG-CD1 4Å; P583-Y810 HydrophobicContact CG-CD2 4.06Å; P583-Y810 HydrophobicContact CG-CE1 4.39Å; P583-Y810 HydrophobicContact CG-CE2 4.42Å; P583-Y810 HydrophobicContact CG-CG 3.82Å; S783-Y810 PolarHBondContact N-O 2.97Å; S783-Y810 VanDerWaalsContact O-CD1 3.32Å; S783-Y810 WeakPolarHBondContact O-CD1 3.41Å; S783-Y810 PolarHBondContact O-N 2.98Å; F785-Y810 HydrophobicContact CB-CD1 3.81Å; F785-Y810 HydrophobicContact CB-CE1 3.73Å; F785-Y810 HydrophobicContact CD2-CE1 4.34Å; F785-Y810 HydrophobicContact CG-CE1 4.44Å; Y810-D812 HydrophobicContact CD2-CB 4.04Å; Y810-D812 HydrophobicContact CE2-CB 3.84Å; Y810-D812 PolarHBondContact O-N 3.32Å; Y810-D812 VanDerWaalsContact O-N 3.17Å; Y810-R814 WeakPolarHBondContact OH-CD 3.46Å
811	R	86.7	Confident	84.1	Confident	104 Å²	104	68.9 Å²	68.9	39%	0.392	37%	0.371	S	S	.	.	S	Bend	trans	-88.5	80.4	-171.3	-173.2	-177.2	148.5	131.3	11.3	111.8	P600 D752 L782	P600-R811 PolarHBondContact O-NH1 3.11Å; D752-R811 IonicContact OD1-CZ 2.6Å; D752-R811 IonicContact OD1-NH2 3.56Å; D752-R811 PolarHBondContact OD1-NH2 2.77Å; D752-R811 IonicContact OD2-CZ 3.01Å; D752-R811 IonicContact OD2-NH1 3.37Å; D752-R811 PolarHBondContact OD2-NH1 2.8Å; D752-R811 IonicContact OD2-NH2 2.72Å; D752-R811 PolarHBondContact OD2-NH2 2.96Å; L782-R811 HydrophobicContact CD2-CB 4.09Å
812	D	88.2	Confident	85.8	Confident	29 Å²	29	67.7 Å²	67.7	16%	0.155	37%	0.37	C	S	.	.	S	Bend	trans	-152.9	168.7	168.7	-158.3	-13.3	0	0	0	109.4	S783 Y810 R814	S783-D812 WeakPolarHBondContact CB-O 3.31Å; S783-D812 PolarHBondContact N-O 2.79Å; S783-D812 PolarHBondContact OG-O 2.96Å; Y810-D812 HydrophobicContact CD2-CB 4.04Å; Y810-D812 HydrophobicContact CE2-CB 3.84Å; Y810-D812 PolarHBondContact O-N 3.32Å; Y810-D812 VanDerWaalsContact O-N 3.17Å; D812-R814 IonicContact OD2-CZ 2.72Å; D812-R814 IonicContact OD2-NE 3.38Å; D812-R814 PolarHBondContact OD2-NE 3.48Å; D812-R814 IonicContact OD2-NH2 3.47Å; D812-R814 PolarHBondContact OD2-NH2 3.29Å
813	F	90.4	Very high	87.3	Confident	41 Å²	41	66.2 Å²	66.2	18%	0.18	36%	0.359	C	S	.	.			trans	-107.2	80.1	-179.9	-65	-73.8	0	0	0	111.1	P755 Y825 N826 H828 Y829 V832	P755-F813 HydrophobicContact CB-CZ 4.38Å; F813-Y825 WeakPolarHBondContact O-CA 3.42Å; F813-N826 VanDerWaalsContact C-ND2 3.34Å; F813-N826 PolarHBondContact O-N 3.41Å; F813-N826 PolarHBondContact O-OD1 3.39Å; F813-H828 HydrophobicContact CD1-CB 4.17Å; F813-Y829 HydrophobicContact CB-CD2 4.2Å; F813-Y829 HydrophobicContact CB-CG 4.48Å; F813-V832 HydrophobicContact CE2-CG1 4.23Å; F813-V832 HydrophobicContact CE2-CG2 4.42Å; F813-V832 HydrophobicContact CZ-CG2 4.39Å
814	R	92.1	Very high	89	Confident	24 Å²	24	65.5 Å²	65.5	9%	0.091	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-123.1	170.1	-176.9	-70	168.6	-170.9	-92.9	-6	112.1	S783 Y810 D812 Y823 Q824 Y825 N826	S783-R814 PolarHBondContact OG-N 3.03Å; Y810-R814 WeakPolarHBondContact OH-CD 3.46Å; D812-R814 IonicContact OD2-CZ 2.72Å; D812-R814 IonicContact OD2-NE 3.38Å; D812-R814 PolarHBondContact OD2-NE 3.48Å; D812-R814 IonicContact OD2-NH2 3.47Å; D812-R814 PolarHBondContact OD2-NH2 3.29Å; R814-Y823 VanDerWaalsContact CD-O 3.27Å; R814-Y823 WeakPolarHBondContact CD-O 3.34Å; R814-Y823 PolarHBondContact NH1-O 3.05Å; R814-Q824 CarbonylContact C-O 3.59Å; R814-Q824 WeakPolarHBondContact CA-O 3.43Å; R814-Q824 WeakPolarHBondContact CB-O 3.49Å; R814-Y825 HydrophobicContact CG-CD1 4.06Å; R814-Y825 HydrophobicContact CG-CE1 4.47Å; R814-Y825 VanDerWaalsContact NH2-CE1 3.26Å; R814-Y825 PolarHBondContact NH2-OH 2.6Å; R814-Y825 VanDerWaalsContact NH2-OH 3.11Å; R814-N826 PolarHBondContact N-ND2 2.89Å; R814-N826 PolarHBondContact O-ND2 3.04Å; R814-N826 VanDerWaalsContact O-ND2 3.11Å
815	F	93.4	Very high	89.8	Confident	36 Å²	36	62.7 Å²	62.7	16%	0.158	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-76.9	143.1	170.9	-69.1	-70.9	0	0	0	111.8	H819 R821 Y823 Q824 Y825 N826	F815-H819 HydrophobicContact CB-CB 4.11Å; F815-H819 WeakPolarHBondContact CB-ND1 3.46Å; F815-H819 AromaticContact CD1-CE1 3.19Å; F815-H819 WeakPolarHBondContact CD1-CE1 3.45Å; F815-H819 AromaticContact CD1-CG 3.93Å; F815-H819 AromaticContact CD1-ND1 3.31Å; F815-H819 VanDerWaalsContact CD1-ND1 3.31Å; F815-H819 WeakPolarHBondContact CD1-ND1 3.35Å; F815-H819 AromaticContact CD1-NE2 3.77Å; F815-H819 AromaticContact CD2-CE1 3.9Å; F815-H819 AromaticContact CD2-ND1 3.79Å; F815-H819 AromaticContact CE1-CE1 3.36Å; F815-H819 WeakPolarHBondContact CE1-CE1 3.04Å; F815-H819 AromaticContact CE1-ND1 3.96Å; F815-H819 AromaticContact CE1-NE2 3.85Å; F815-H819 AromaticContact CG-CE1 3.49Å; F815-H819 VanDerWaalsContact CG-CE1 3.49Å; F815-H819 WeakPolarHBondContact CG-CE1 3.39Å; F815-H819 AromaticContact CG-ND1 3.21Å; F815-H819 WeakPolarHBondContact CG-ND1 3.47Å; F815-H819 AromaticContact CZ-CE1 3.78Å; F815-R821 WeakPolarHBondContact CB-O 3.21Å; F815-R821 HydrophobicContact CD2-CB 3.89Å; F815-R821 WeakPolarHBondContact CD2-O 3.45Å; F815-R821 HydrophobicContact CE2-CB 4.13Å; F815-Y823 PolarHBondContact O-N 2.99Å; F815-Y823 VanDerWaalsContact O-N 3.17Å; F815-Q824 HydrophobicContact CD2-CB 4.37Å; F815-Q824 WeakPolarHBondContact CD2-O 3.36Å; F815-Q824 PolarHBondContact N-O 3.49Å; F815-Y825 WeakPolarHBondContact CE2-O 3.33Å; F815-N826 HydrophobicContact CD1-CB 4.09Å; F815-N826 HydrophobicContact CD2-CB 4.31Å; F815-N826 HydrophobicContact CE1-CB 3.97Å; F815-N826 HydrophobicContact CE2-CB 4.2Å; F815-N826 HydrophobicContact CG-CB 4.27Å; F815-N826 HydrophobicContact CZ-CB 4.03Å
816	P	92.8	Very high	90.5	Very high	58 Å²	58	61.4 Å²	61.4	38%	0.377	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-67.9	164.7	-179.9	30	-36.5	0	0	0	112.8	H819	P816-H819 HydrophobicContact CG-CB 4.44Å; P816-H819 WeakPolarHBondContact O-CB 3.48Å; P816-H819 PolarHBondContact O-N 3.4Å
817	P	91.3	Very high	90.7	Very high	40 Å²	40	63.7 Å²	63.7	26%	0.26	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	146.3	170.4	23	-33.8	0	0	0	111.7	Y784 N786 H819	Y784-P817 WeakPolarHBondContact O-CD 3.08Å; N786-P817 HydrophobicContact CB-CB 4.07Å; N786-P817 HydrophobicContact CB-CG 4.32Å; P817-H819 PolarHBondContact O-N 2.67Å
818	G	87.7	Confident	90.8	Very high	73 Å²	73	63.1 Å²	63.1	75%	0.753	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-10.2	-178.2	0	0	0	0	0	115.5
819	H	92.1	Very high	90.8	Very high	59 Å²	59	66 Å²	66	27%	0.273	33%	0.33	S	S	.	.	S	Bend	trans	-72.6	142.3	170.4	-175.9	-105.8	0	0	0	110.7	F815 P816 P817 R821 Q822	F815-H819 HydrophobicContact CB-CB 4.11Å; F815-H819 WeakPolarHBondContact CB-ND1 3.46Å; F815-H819 AromaticContact CD1-CE1 3.19Å; F815-H819 WeakPolarHBondContact CD1-CE1 3.45Å; F815-H819 AromaticContact CD1-CG 3.93Å; F815-H819 AromaticContact CD1-ND1 3.31Å; F815-H819 VanDerWaalsContact CD1-ND1 3.31Å; F815-H819 WeakPolarHBondContact CD1-ND1 3.35Å; F815-H819 AromaticContact CD1-NE2 3.77Å; F815-H819 AromaticContact CD2-CE1 3.9Å; F815-H819 AromaticContact CD2-ND1 3.79Å; F815-H819 AromaticContact CE1-CE1 3.36Å; F815-H819 WeakPolarHBondContact CE1-CE1 3.04Å; F815-H819 AromaticContact CE1-ND1 3.96Å; F815-H819 AromaticContact CE1-NE2 3.85Å; F815-H819 AromaticContact CG-CE1 3.49Å; F815-H819 VanDerWaalsContact CG-CE1 3.49Å; F815-H819 WeakPolarHBondContact CG-CE1 3.39Å; F815-H819 AromaticContact CG-ND1 3.21Å; F815-H819 WeakPolarHBondContact CG-ND1 3.47Å; F815-H819 AromaticContact CZ-CE1 3.78Å; P816-H819 HydrophobicContact CG-CB 4.44Å; P816-H819 WeakPolarHBondContact O-CB 3.48Å; P816-H819 PolarHBondContact O-N 3.4Å; P817-H819 PolarHBondContact O-N 2.67Å; H819-R821 PolarHBondContact ND1-N 3.28Å; H819-R821 PolarHBondContact O-N 2.99Å; H819-Q822 WeakPolarHBondContact O-CB 3.36Å; H819-Q822 PolarHBondContact O-N 2.82Å
820	P	92.1	Very high	91	Very high	126 Å²	126	71.6 Å²	71.6	82%	0.818	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-12.6	179.3	21.9	-35.8	0	0	0	115.3
821	R	91.8	Very high	91.2	Very high	142 Å²	142	74.4 Å²	74.4	54%	0.536	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	41.2	170.1	-72.1	-177	-77.9	173.2	-5	111.9	F815 H819 Q824	F815-R821 WeakPolarHBondContact CB-O 3.21Å; F815-R821 HydrophobicContact CD2-CB 3.89Å; F815-R821 WeakPolarHBondContact CD2-O 3.45Å; F815-R821 HydrophobicContact CE2-CB 4.13Å; H819-R821 PolarHBondContact ND1-N 3.28Å; H819-R821 PolarHBondContact O-N 2.99Å; R821-Q824 HydrophobicContact CB-CB 4.39Å; R821-Q824 HydrophobicContact CB-CG 4.45Å; R821-Q824 WeakPolarHBondContact O-CB 3.15Å; R821-Q824 PolarHBondContact O-N 2.69Å
822	Q	90.7	Very high	91.4	Very high	97 Å²	97	69.9 Å²	69.9	45%	0.453	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	138.1	-178.3	63.9	-177.9	16	0	0	112.8	H819 Q824	H819-Q822 WeakPolarHBondContact O-CB 3.36Å; H819-Q822 PolarHBondContact O-N 2.82Å; Q822-Q824 PolarHBondContact O-N 2.77Å
823	Y	90	Very high	91.7	Very high	18 Å²	18	70.6 Å²	70.6	7%	0.071	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	2.4	178.8	-48.9	-50.8	0	0	0	117	H582 F785 N786 D789 R814 F815	H582-Y823 AromaticContact ND1-CG 3.91Å; F785-Y823 HydrophobicContact CD2-CD1 4.14Å; F785-Y823 AromaticContact CD2-CE1 3.49Å; F785-Y823 HydrophobicContact CD2-CE1 3.49Å; F785-Y823 VanDerWaalsContact CD2-CE1 3.49Å; F785-Y823 HydrophobicContact CD2-CE2 4.47Å; F785-Y823 AromaticContact CD2-CZ 3.67Å; F785-Y823 HydrophobicContact CE2-CE1 4.01Å; F785-Y823 HydrophobicContact CE2-CE2 4.19Å; F785-Y823 AromaticContact CE2-CZ 3.8Å; F785-Y823 HydrophobicContact CG-CE1 4.45Å; N786-Y823 PolarHBondContact N-OH 3.08Å; D789-Y823 HydrophobicContact CB-CE2 4.05Å; D789-Y823 WeakPolarHBondContact OD2-CE2 3.42Å; D789-Y823 PolarHBondContact OD2-OH 2.78Å; R814-Y823 VanDerWaalsContact CD-O 3.27Å; R814-Y823 WeakPolarHBondContact CD-O 3.34Å; R814-Y823 PolarHBondContact NH1-O 3.05Å; F815-Y823 PolarHBondContact O-N 2.99Å; F815-Y823 VanDerWaalsContact O-N 3.17Å
824	Q	91.7	Very high	91.9	Very high	108 Å²	108	71.5 Å²	71.5	51%	0.505	37%	0.367	S	S	.	.	S	Bend	trans	-78.7	157	166.8	-58	-177.8	-1.6	0	0	110.4	R814 F815 R821 Q822	R814-Q824 CarbonylContact C-O 3.59Å; R814-Q824 WeakPolarHBondContact CA-O 3.43Å; R814-Q824 WeakPolarHBondContact CB-O 3.49Å; F815-Q824 HydrophobicContact CD2-CB 4.37Å; F815-Q824 WeakPolarHBondContact CD2-O 3.36Å; F815-Q824 PolarHBondContact N-O 3.49Å; R821-Q824 HydrophobicContact CB-CB 4.39Å; R821-Q824 HydrophobicContact CB-CG 4.45Å; R821-Q824 WeakPolarHBondContact O-CB 3.15Å; R821-Q824 PolarHBondContact O-N 2.69Å; Q822-Q824 PolarHBondContact O-N 2.77Å
825	Y	92.5	Very high	92.1	Very high	89 Å²	89	71.6 Å²	71.6	35%	0.349	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-61.4	135.8	176.8	-63	-60.5	0	0	0	111.7	F813 R814 F815 Y829	F813-Y825 WeakPolarHBondContact O-CA 3.42Å; R814-Y825 HydrophobicContact CG-CD1 4.06Å; R814-Y825 HydrophobicContact CG-CE1 4.47Å; R814-Y825 VanDerWaalsContact NH2-CE1 3.26Å; R814-Y825 PolarHBondContact NH2-OH 2.6Å; R814-Y825 VanDerWaalsContact NH2-OH 3.11Å; F815-Y825 WeakPolarHBondContact CE2-O 3.33Å; Y825-Y829 HydrophobicContact CD1-CD1 4.04Å; Y825-Y829 AromaticContact CD1-CD2 3.41Å; Y825-Y829 HydrophobicContact CD1-CD2 3.41Å; Y825-Y829 VanDerWaalsContact CD1-CD2 3.41Å; Y825-Y829 HydrophobicContact CD1-CE1 4.2Å; Y825-Y829 AromaticContact CD1-CE2 3.59Å; Y825-Y829 HydrophobicContact CD1-CE2 3.59Å; Y825-Y829 AromaticContact CD1-CG 3.66Å; Y825-Y829 HydrophobicContact CD1-CG 3.66Å; Y825-Y829 AromaticContact CD1-CZ 3.99Å; Y825-Y829 HydrophobicContact CD2-CD1 4.37Å; Y825-Y829 HydrophobicContact CD2-CE1 4.18Å; Y825-Y829 AromaticContact CE1-CD2 3.8Å; Y825-Y829 HydrophobicContact CE1-CD2 3.8Å; Y825-Y829 HydrophobicContact CE1-CE1 4.49Å; Y825-Y829 AromaticContact CE1-CE2 3.49Å; Y825-Y829 HydrophobicContact CE1-CE2 3.49Å; Y825-Y829 VanDerWaalsContact CE1-CE2 3.49Å; Y825-Y829 HydrophobicContact CE1-CG 4.42Å; Y825-Y829 AromaticContact CE1-CZ 3.88Å; Y825-Y829 HydrophobicContact CE2-CE1 4.46Å; Y825-Y829 AromaticContact CG-CD1 3.84Å; Y825-Y829 HydrophobicContact CG-CD1 3.84Å; Y825-Y829 HydrophobicContact CG-CD2 4.09Å; Y825-Y829 HydrophobicContact CG-CE1 4.05Å; Y825-Y829 HydrophobicContact CG-CE2 4.27Å; Y825-Y829 AromaticContact CG-CG 3.88Å; Y825-Y829 HydrophobicContact CG-CG 3.88Å
826	N	91.9	Very high	92.1	Very high	19 Å²	19	70.8 Å²	70.8	10%	0.102	37%	0.369	C	S	.	.			trans	-88.9	-178.4	179.7	69.4	26.9	0	0	0	111.7	F813 R814 F815 H828 Y829	F813-N826 VanDerWaalsContact C-ND2 3.34Å; F813-N826 PolarHBondContact O-N 3.41Å; F813-N826 PolarHBondContact O-OD1 3.39Å; R814-N826 PolarHBondContact N-ND2 2.89Å; R814-N826 PolarHBondContact O-ND2 3.04Å; R814-N826 VanDerWaalsContact O-ND2 3.11Å; F815-N826 HydrophobicContact CD1-CB 4.09Å; F815-N826 HydrophobicContact CD2-CB 4.31Å; F815-N826 HydrophobicContact CE1-CB 3.97Å; F815-N826 HydrophobicContact CE2-CB 4.2Å; F815-N826 HydrophobicContact CG-CB 4.27Å; F815-N826 HydrophobicContact CZ-CB 4.03Å; N826-H828 WeakPolarHBondContact OD1-CA 3.43Å; N826-H828 VanDerWaalsContact OD1-CB 3.31Å; N826-H828 WeakPolarHBondContact OD1-CB 3.35Å; N826-H828 PolarHBondContact OD1-N 3.06Å; N826-Y829 WeakPolarHBondContact O-CB 3.45Å; N826-Y829 PolarHBondContact O-N 3.48Å; N826-Y829 PolarHBondContact OD1-N 2.96Å
827	M	90	Very high	92.2	Very high	139 Å²	139	72.4 Å²	72.4	69%	0.685	37%	0.373	S	S	*	.	H	α-helix	trans	-68.9	-32.4	179	-169.8	61.7	83.3	0	0	112.7	Y829 W830 H831	M827-Y829 VanDerWaalsContact C-N 3.29Å; M827-Y829 PolarHBondContact O-N 2.86Å; M827-W830 PolarHBondContact O-N 3.4Å; M827-W830 VanDerWaalsContact O-N 3.17Å; M827-H831 PolarHBondContact O-N 2.6Å
828	H	89.6	Confident	92.3	Very high	72 Å²	72	73 Å²	73	33%	0.333	38%	0.381	S	S	.	.	H	α-helix	trans	-59.9	-39.6	175.9	-49.2	-90.2	0	0	0	111.3	F763 F813 N826 W830 H831 V832	F763-H828 AromaticContact CD1-CE1 3.42Å; F763-H828 VanDerWaalsContact CD1-CE1 3.42Å; F763-H828 WeakPolarHBondContact CD1-CE1 3.45Å; F763-H828 AromaticContact CD1-ND1 3.37Å; F763-H828 WeakPolarHBondContact CD1-ND1 2.87Å; F763-H828 AromaticContact CD2-ND1 3.45Å; F763-H828 WeakPolarHBondContact CD2-ND1 3.49Å; F763-H828 AromaticContact CE1-CE1 3.48Å; F763-H828 VanDerWaalsContact CE1-CE1 3.48Å; F763-H828 WeakPolarHBondContact CE1-CE1 3.43Å; F763-H828 AromaticContact CE1-ND1 3.2Å; F763-H828 WeakPolarHBondContact CE1-ND1 3.46Å; F763-H828 HydrophobicContact CE2-CB 4.18Å; F763-H828 AromaticContact CE2-ND1 3.28Å; F763-H828 VanDerWaalsContact CE2-ND1 3.28Å; F763-H828 WeakPolarHBondContact CE2-ND1 3.43Å; F763-H828 AromaticContact CG-CE1 3.84Å; F763-H828 AromaticContact CG-ND1 3.5Å; F763-H828 WeakPolarHBondContact CG-ND1 3.48Å; F763-H828 HydrophobicContact CZ-CB 4.27Å; F763-H828 AromaticContact CZ-CE1 3.92Å; F763-H828 AromaticContact CZ-CG 3.92Å; F763-H828 AromaticContact CZ-ND1 3.16Å; F763-H828 WeakPolarHBondContact CZ-ND1 3.23Å; F813-H828 HydrophobicContact CD1-CB 4.17Å; N826-H828 WeakPolarHBondContact OD1-CA 3.43Å; N826-H828 VanDerWaalsContact OD1-CB 3.31Å; N826-H828 WeakPolarHBondContact OD1-CB 3.35Å; N826-H828 PolarHBondContact OD1-N 3.06Å; H828-W830 PolarHBondContact O-N 3.47Å; H828-H831 PolarHBondContact O-N 3.17Å; H828-V832 VanDerWaalsContact O-CB 3.28Å; H828-V832 WeakPolarHBondContact O-CB 3.41Å; H828-V832 VanDerWaalsContact O-CG2 3.23Å; H828-V832 WeakPolarHBondContact O-CG2 3.41Å; H828-V832 PolarHBondContact O-N 2.92Å
829	Y	92	Very high	92.6	Very high	60 Å²	60	71.2 Å²	71.2	24%	0.235	35%	0.353	C	S	.	.	H	α-helix	trans	-53.6	-51.7	173.2	-177.5	-92.3	0	0	0	111.8	F813 Y825 N826 M827 V832 I833	F813-Y829 HydrophobicContact CB-CD2 4.2Å; F813-Y829 HydrophobicContact CB-CG 4.48Å; Y825-Y829 HydrophobicContact CD1-CD1 4.04Å; Y825-Y829 AromaticContact CD1-CD2 3.41Å; Y825-Y829 HydrophobicContact CD1-CD2 3.41Å; Y825-Y829 VanDerWaalsContact CD1-CD2 3.41Å; Y825-Y829 HydrophobicContact CD1-CE1 4.2Å; Y825-Y829 AromaticContact CD1-CE2 3.59Å; Y825-Y829 HydrophobicContact CD1-CE2 3.59Å; Y825-Y829 AromaticContact CD1-CG 3.66Å; Y825-Y829 HydrophobicContact CD1-CG 3.66Å; Y825-Y829 AromaticContact CD1-CZ 3.99Å; Y825-Y829 HydrophobicContact CD2-CD1 4.37Å; Y825-Y829 HydrophobicContact CD2-CE1 4.18Å; Y825-Y829 AromaticContact CE1-CD2 3.8Å; Y825-Y829 HydrophobicContact CE1-CD2 3.8Å; Y825-Y829 HydrophobicContact CE1-CE1 4.49Å; Y825-Y829 AromaticContact CE1-CE2 3.49Å; Y825-Y829 HydrophobicContact CE1-CE2 3.49Å; Y825-Y829 VanDerWaalsContact CE1-CE2 3.49Å; Y825-Y829 HydrophobicContact CE1-CG 4.42Å; Y825-Y829 AromaticContact CE1-CZ 3.88Å; Y825-Y829 HydrophobicContact CE2-CE1 4.46Å; Y825-Y829 AromaticContact CG-CD1 3.84Å; Y825-Y829 HydrophobicContact CG-CD1 3.84Å; Y825-Y829 HydrophobicContact CG-CD2 4.09Å; Y825-Y829 HydrophobicContact CG-CE1 4.05Å; Y825-Y829 HydrophobicContact CG-CE2 4.27Å; Y825-Y829 AromaticContact CG-CG 3.88Å; Y825-Y829 HydrophobicContact CG-CG 3.88Å; N826-Y829 WeakPolarHBondContact O-CB 3.45Å; N826-Y829 PolarHBondContact O-N 3.48Å; N826-Y829 PolarHBondContact OD1-N 2.96Å; M827-Y829 VanDerWaalsContact C-N 3.29Å; M827-Y829 PolarHBondContact O-N 2.86Å; Y829-V832 PolarHBondContact O-N 3.46Å; Y829-I833 HydrophobicContact CE1-CG2 4.44Å; Y829-I833 WeakPolarHBondContact O-CG2 3.21Å; Y829-I833 PolarHBondContact O-N 2.86Å
830	W	94	Very high	92.6	Very high	150 Å²	150	69.3 Å²	69.3	57%	0.568	34%	0.344	S	S	*	.	H	α-helix	trans	-69.5	-36.2	-176.8	-69.6	108	0	0	0	112.4	M827 H828 I833 A834	M827-W830 PolarHBondContact O-N 3.4Å; M827-W830 VanDerWaalsContact O-N 3.17Å; H828-W830 PolarHBondContact O-N 3.47Å; W830-I833 HydrophobicContact CE3-CG2 3.87Å; W830-I833 HydrophobicContact CZ3-CG2 4.4Å; W830-I833 WeakPolarHBondContact O-CG2 3.28Å; W830-A834 WeakPolarHBondContact O-CB 3.09Å; W830-A834 PolarHBondContact O-N 2.71Å
831	H	93.2	Very high	92.6	Very high	79 Å²	79	67.6 Å²	67.6	37%	0.366	33%	0.327	S	S	.	.	H	α-helix	trans	-68.1	-38.6	173.3	-164.7	-35.6	0	0	0	112	S762 F763 M827 H828 A835	S762-H831 PolarHBondContact OG-CE1 2.72Å; S762-H831 PolarHBondContact OG-NE2 3.18Å; F763-H831 HydrophobicContact CE2-CB 4.45Å; F763-H831 HydrophobicContact CZ-CB 4.24Å; M827-H831 PolarHBondContact O-N 2.6Å; H828-H831 PolarHBondContact O-N 3.17Å; H831-A835 WeakPolarHBondContact O-CB 3.2Å; H831-A835 PolarHBondContact O-N 3.41Å
832	V	92.6	Very high	92.6	Very high	9 Å²	9	65.1 Å²	65.1	6%	0.055	33%	0.328	C	S	.	.	H	α-helix	trans	-70.6	-42.5	177.9	167.9	0	0	0	0	111.4	P755 V758 F813 H828 Y829 A835 K836	P755-V832 HydrophobicContact CG-CG1 4.11Å; V758-V832 HydrophobicContact CB-CG2 4.14Å; V758-V832 HydrophobicContact CG1-CG2 3.83Å; F813-V832 HydrophobicContact CE2-CG1 4.23Å; F813-V832 HydrophobicContact CE2-CG2 4.42Å; F813-V832 HydrophobicContact CZ-CG2 4.39Å; H828-V832 VanDerWaalsContact O-CB 3.28Å; H828-V832 WeakPolarHBondContact O-CB 3.41Å; H828-V832 VanDerWaalsContact O-CG2 3.23Å; H828-V832 WeakPolarHBondContact O-CG2 3.41Å; H828-V832 PolarHBondContact O-N 2.92Å; Y829-V832 PolarHBondContact O-N 3.46Å; V832-A835 PolarHBondContact O-N 2.95Å; V832-K836 HydrophobicContact CG1-CD 3.99Å; V832-K836 WeakPolarHBondContact O-CB 3.37Å; V832-K836 VanDerWaalsContact O-CG 3.27Å; V832-K836 WeakPolarHBondContact O-CG 3.41Å; V832-K836 PolarHBondContact O-N 2.95Å
833	I	93.5	Very high	92.5	Very high	44 Å²	44	62 Å²	62	23%	0.226	32%	0.316	C	S	.	.	H	α-helix	trans	-69.5	-37.3	177.5	-161.1	65.1	0	0	0	111.7	F749 Y829 W830 K836 M837	F749-I833 HydrophobicContact CE1-CD1 3.89Å; Y829-I833 HydrophobicContact CE1-CG2 4.44Å; Y829-I833 WeakPolarHBondContact O-CG2 3.21Å; Y829-I833 PolarHBondContact O-N 2.86Å; W830-I833 HydrophobicContact CE3-CG2 3.87Å; W830-I833 HydrophobicContact CZ3-CG2 4.4Å; W830-I833 WeakPolarHBondContact O-CG2 3.28Å; I833-K836 HydrophobicContact CD1-CD 4.39Å; I833-K836 PolarHBondContact O-N 3.05Å; I833-M837 WeakPolarHBondContact O-CG 3.24Å; I833-M837 PolarHBondContact O-N 2.96Å
834	A	95.3	Very high	92.5	Very high	59 Å²	59	63.6 Å²	63.6	49%	0.488	32%	0.323	S	S	.	.	H	α-helix	trans	-61	-45.1	172.5	0	0	0	0	0	111.6	W830 K836 M837 A838	W830-A834 WeakPolarHBondContact O-CB 3.09Å; W830-A834 PolarHBondContact O-N 2.71Å; A834-K836 PolarHBondContact O-N 2.82Å; A834-M837 PolarHBondContact O-N 3.11Å; A834-A838 WeakPolarHBondContact O-CB 3.2Å; A834-A838 PolarHBondContact O-N 3Å
835	A	95.1	Very high	92.4	Very high	26 Å²	26	64.2 Å²	64.2	22%	0.215	33%	0.326	C	S	.	.	H	α-helix	trans	-62.6	-40.5	175.3	0	0	0	0	0	112.5	I754 V758 H831 V832 F839	I754-A835 HydrophobicContact CG2-CB 3.92Å; V758-A835 HydrophobicContact CG2-CB 3.49Å; V758-A835 VanDerWaalsContact CG2-CB 3.49Å; H831-A835 WeakPolarHBondContact O-CB 3.2Å; H831-A835 PolarHBondContact O-N 3.41Å; V832-A835 PolarHBondContact O-N 2.95Å; A835-F839 WeakPolarHBondContact O-CB 3.34Å; A835-F839 PolarHBondContact O-N 3.4Å
836	K	94	Very high	92.2	Very high	20 Å²	20	63.5 Å²	63.5	9%	0.087	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-45	175.3	-73.6	169.3	-176	-95.3	0	111.6	A748 I754 V832 I833 A834 F839 I840	A748-K836 HydrophobicContact CB-CB 4.26Å; A748-K836 WeakPolarHBondContact O-CD 3.46Å; A748-K836 WeakPolarHBondContact O-CE 2.94Å; A748-K836 VanDerWaalsContact O-CG 3.26Å; A748-K836 WeakPolarHBondContact O-CG 3.15Å; A748-K836 PolarHBondContact O-NZ 2.69Å; I754-K836 HydrophobicContact CB-CG 3.98Å; I754-K836 HydrophobicContact CG1-CG 4.42Å; I754-K836 HydrophobicContact CG2-CG 3.72Å; V832-K836 HydrophobicContact CG1-CD 3.99Å; V832-K836 WeakPolarHBondContact O-CB 3.37Å; V832-K836 VanDerWaalsContact O-CG 3.27Å; V832-K836 WeakPolarHBondContact O-CG 3.41Å; V832-K836 PolarHBondContact O-N 2.95Å; I833-K836 HydrophobicContact CD1-CD 4.39Å; I833-K836 PolarHBondContact O-N 3.05Å; A834-K836 PolarHBondContact O-N 2.82Å; K836-F839 PolarHBondContact O-N 3.38Å; K836-I840 WeakPolarHBondContact O-CG1 3.36Å; K836-I840 PolarHBondContact O-N 2.91Å; K836-I840 VanDerWaalsContact O-N 3.15Å
837	M	94.6	Very high	91.9	Very high	91 Å²	91	63.5 Å²	63.5	45%	0.448	33%	0.333	S	S	.	.	H	α-helix	trans	-67.5	-44.5	177.7	-66.7	-56	-62.5	0	0	112.4	F749 I833 A834 F839 I840 I841	F749-M837 HydrophobicContact CZ-SD 4.15Å; I833-M837 WeakPolarHBondContact O-CG 3.24Å; I833-M837 PolarHBondContact O-N 2.96Å; A834-M837 PolarHBondContact O-N 3.11Å; M837-F839 VanDerWaalsContact C-N 3.32Å; M837-F839 PolarHBondContact O-N 2.87Å; M837-I840 PolarHBondContact O-N 3.37Å; M837-I840 HydrophobicContact SD-CD1 4.39Å; M837-I841 WeakPolarHBondContact O-CG1 3.39Å; M837-I841 PolarHBondContact O-N 3.11Å; M837-I841 VanDerWaalsContact O-N 3.13Å
838	A	94.8	Very high	91.6	Very high	53 Å²	53	60.6 Å²	60.6	44%	0.438	32%	0.315	S	S	.	.	H	α-helix	trans	-61.4	-40.8	176.4	0	0	0	0	0	111.9	A834 I841 V842	A834-A838 WeakPolarHBondContact O-CB 3.2Å; A834-A838 PolarHBondContact O-N 3Å; A838-I841 PolarHBondContact O-N 2.85Å; A838-V842 WeakPolarHBondContact O-CG2 3.21Å; A838-V842 PolarHBondContact O-N 2.79Å
839	F	92.9	Very high	91.6	Very high	36 Å²	36	62 Å²	62	16%	0.158	33%	0.325	C	S	.	.	H	α-helix	trans	-60	-46.5	175.4	171.7	-92	0	0	0	112.5	L379 I747 A748 I754 A835 K836 M837 I841 V842 V843	L379-F839 HydrophobicContact CD1-CE2 3.67Å; L379-F839 HydrophobicContact CD1-CZ 3.56Å; I747-F839 HydrophobicContact CB-CE1 3.8Å; I747-F839 HydrophobicContact CB-CZ 4.01Å; I747-F839 HydrophobicContact CD1-CZ 4.42Å; I747-F839 HydrophobicContact CG2-CE1 3.6Å; I747-F839 HydrophobicContact CG2-CE2 4.4Å; I747-F839 HydrophobicContact CG2-CZ 3.45Å; I747-F839 VanDerWaalsContact CG2-CZ 3.45Å; A748-F839 HydrophobicContact CB-CD1 4.21Å; I754-F839 HydrophobicContact CD1-CB 4.11Å; I754-F839 HydrophobicContact CD1-CD1 4.07Å; I754-F839 HydrophobicContact CD1-CD2 3.6Å; I754-F839 HydrophobicContact CD1-CE1 4.45Å; I754-F839 HydrophobicContact CD1-CE2 4.01Å; I754-F839 HydrophobicContact CD1-CG 3.64Å; I754-F839 HydrophobicContact CD1-CZ 4.41Å; I754-F839 HydrophobicContact CG1-CD1 4.46Å; I754-F839 HydrophobicContact CG1-CG 4.38Å; A835-F839 WeakPolarHBondContact O-CB 3.34Å; A835-F839 PolarHBondContact O-N 3.4Å; K836-F839 PolarHBondContact O-N 3.38Å; M837-F839 VanDerWaalsContact C-N 3.32Å; M837-F839 PolarHBondContact O-N 2.87Å; F839-I841 PolarHBondContact O-N 3.33Å; F839-V842 PolarHBondContact O-N 3.06Å; F839-V843 HydrophobicContact CD1-CG2 4.49Å; F839-V843 HydrophobicContact CD2-CG2 4.07Å; F839-V843 HydrophobicContact CE1-CG2 4.07Å; F839-V843 HydrophobicContact CE2-CG2 3.62Å; F839-V843 HydrophobicContact CG-CG2 4.48Å; F839-V843 HydrophobicContact CZ-CG2 3.61Å; F839-V843 WeakPolarHBondContact O-CB 3.5Å; F839-V843 WeakPolarHBondContact O-CG2 3.41Å; F839-V843 PolarHBondContact O-N 3.03Å
840	I	92.4	Very high	91.2	Very high	18 Å²	18	61.3 Å²	61.3	9%	0.092	33%	0.327	C	S	.	.	H	α-helix	trans	-58	-51.2	177	-65.9	163.1	0	0	0	110	A744 M745 A748 F749 K836 M837 V842 V843 E844	A744-I840 HydrophobicContact CB-CG2 4.32Å; M745-I840 HydrophobicContact CG-CD1 4.35Å; A748-I840 HydrophobicContact CB-CD1 3.61Å; A748-I840 HydrophobicContact CB-CG1 3.54Å; F749-I840 HydrophobicContact CD2-CD1 4.32Å; F749-I840 HydrophobicContact CE2-CD1 3.55Å; F749-I840 HydrophobicContact CZ-CD1 4.12Å; K836-I840 WeakPolarHBondContact O-CG1 3.36Å; K836-I840 PolarHBondContact O-N 2.91Å; K836-I840 VanDerWaalsContact O-N 3.15Å; M837-I840 PolarHBondContact O-N 3.37Å; M837-I840 HydrophobicContact SD-CD1 4.39Å; I840-V842 VanDerWaalsContact C-N 3.35Å; I840-V842 PolarHBondContact O-N 3.25Å; I840-V843 PolarHBondContact O-N 3.17Å; I840-E844 VanDerWaalsContact O-CB 3.23Å; I840-E844 WeakPolarHBondContact O-CB 3.37Å; I840-E844 PolarHBondContact O-N 3Å
841	I	92.9	Very high	90.7	Very high	90 Å²	90	57.1 Å²	57.1	46%	0.462	31%	0.312	S	S	.	.	H	α-helix	trans	-57.1	-48	-179.1	-67.3	166.4	0	0	0	110.7	M837 A838 F839 H845	M837-I841 WeakPolarHBondContact O-CG1 3.39Å; M837-I841 PolarHBondContact O-N 3.11Å; M837-I841 VanDerWaalsContact O-N 3.13Å; A838-I841 PolarHBondContact O-N 2.85Å; F839-I841 PolarHBondContact O-N 3.33Å; I841-H845 WeakPolarHBondContact O-CB 3.43Å; I841-H845 PolarHBondContact O-N 2.78Å; I841-H845 PolarHBondContact O-ND1 3.28Å
842	V	91.2	Very high	90.4	Very high	91 Å²	91	60.1 Å²	60.1	55%	0.552	33%	0.325	S	S	*	.	H	α-helix	trans	-64.3	-49	-179.4	170.3	0	0	0	0	111.7	A838 F839 I840 E844 H845 V846	A838-V842 WeakPolarHBondContact O-CG2 3.21Å; A838-V842 PolarHBondContact O-N 2.79Å; F839-V842 PolarHBondContact O-N 3.06Å; I840-V842 VanDerWaalsContact C-N 3.35Å; I840-V842 PolarHBondContact O-N 3.25Å; V842-E844 PolarHBondContact O-N 3.05Å; V842-H845 PolarHBondContact O-N 2.92Å; V842-V846 HydrophobicContact CG1-CG2 4.37Å; V842-V846 WeakPolarHBondContact O-CB 3.48Å; V842-V846 VanDerWaalsContact O-CG2 3.24Å; V842-V846 WeakPolarHBondContact O-CG2 3.33Å; V842-V846 PolarHBondContact O-N 2.97Å
843	V	87.5	Confident	90.2	Very high	32 Å²	32	63.9 Å²	63.9	19%	0.194	34%	0.344	C	S	.	.	H	α-helix	trans	-64.6	-41.4	-178.5	171.2	0	0	0	0	111.5	A744 F839 I840 A847	A744-V843 HydrophobicContact CB-CB 4.46Å; A744-V843 HydrophobicContact CB-CG1 4.17Å; F839-V843 HydrophobicContact CD1-CG2 4.49Å; F839-V843 HydrophobicContact CD2-CG2 4.07Å; F839-V843 HydrophobicContact CE1-CG2 4.07Å; F839-V843 HydrophobicContact CE2-CG2 3.62Å; F839-V843 HydrophobicContact CG-CG2 4.48Å; F839-V843 HydrophobicContact CZ-CG2 3.61Å; F839-V843 WeakPolarHBondContact O-CB 3.5Å; F839-V843 WeakPolarHBondContact O-CG2 3.41Å; F839-V843 PolarHBondContact O-N 3.03Å; I840-V843 PolarHBondContact O-N 3.17Å; V843-A847 VanDerWaalsContact O-CB 3.27Å; V843-A847 WeakPolarHBondContact O-CB 3.36Å; V843-A847 PolarHBondContact O-N 3.03Å
844	E	89.9	Confident	89.9	Confident	50 Å²	50	63.6 Å²	63.6	23%	0.234	34%	0.343	C	S	.	.	H	α-helix	trans	-64.1	-47.8	178.6	-178.2	165.8	-151.9	0	0	111.8	V740 I840 V842 A847 Y848	V740-E844 HydrophobicContact CG1-CG 4.37Å; I840-E844 VanDerWaalsContact O-CB 3.23Å; I840-E844 WeakPolarHBondContact O-CB 3.37Å; I840-E844 PolarHBondContact O-N 3Å; V842-E844 PolarHBondContact O-N 3.05Å; E844-A847 PolarHBondContact O-N 3Å; E844-Y848 HydrophobicContact CG-CD2 3.76Å; E844-Y848 HydrophobicContact CG-CE2 3.18Å; E844-Y848 WeakPolarHBondContact O-CD2 3.41Å; E844-Y848 PolarHBondContact O-N 3Å; E844-Y848 WeakPolarHBondContact OE1-CE2 3.19Å; E844-Y848 VanDerWaalsContact OE1-CZ 3.3Å; E844-Y848 PolarHBondContact OE1-OH 2.98Å
845	H	90.4	Very high	89.2	Confident	121 Å²	121	62.9 Å²	62.9	56%	0.56	34%	0.337	S	S	*	.	H	α-helix	trans	-66.1	-39.6	178.4	-74.1	74.3	0	0	0	112.4	I841 V842 L849	I841-H845 WeakPolarHBondContact O-CB 3.43Å; I841-H845 PolarHBondContact O-N 2.78Å; I841-H845 PolarHBondContact O-ND1 3.28Å; V842-H845 PolarHBondContact O-N 2.92Å; H845-L849 VanDerWaalsContact O-CB 3.22Å; H845-L849 WeakPolarHBondContact O-CB 3.31Å; H845-L849 PolarHBondContact O-N 3.26Å
846	V	87.8	Confident	88.8	Confident	75 Å²	75	65.6 Å²	65.6	46%	0.455	35%	0.354	S	S	.	.	H	α-helix	trans	-63.9	-42.6	175.7	168.3	0	0	0	0	111.2	V842 T850	V842-V846 HydrophobicContact CG1-CG2 4.37Å; V842-V846 WeakPolarHBondContact O-CB 3.48Å; V842-V846 VanDerWaalsContact O-CG2 3.24Å; V842-V846 WeakPolarHBondContact O-CG2 3.33Å; V842-V846 PolarHBondContact O-N 2.97Å; V846-T850 WeakPolarHBondContact O-CB 3.49Å; V846-T850 PolarHBondContact O-N 3.21Å; V846-T850 PolarHBondContact O-OG1 3.15Å
847	A	85.3	Confident	88.6	Confident	18 Å²	18	69.8 Å²	69.8	15%	0.149	38%	0.381	C	S	.	.	H	α-helix	trans	-66.8	-43.3	178.3	0	0	0	0	0	112.4	A386 V740 V843 E844 T850 K851	A386-A847 HydrophobicContact CB-CB 4.41Å; V740-A847 HydrophobicContact CB-CB 4.48Å; V740-A847 HydrophobicContact CG1-CB 3.51Å; V740-A847 HydrophobicContact CG2-CB 4.09Å; V843-A847 VanDerWaalsContact O-CB 3.27Å; V843-A847 WeakPolarHBondContact O-CB 3.36Å; V843-A847 PolarHBondContact O-N 3.03Å; E844-A847 PolarHBondContact O-N 3Å; A847-T850 PolarHBondContact O-N 3.21Å; A847-K851 WeakPolarHBondContact O-CB 3.21Å; A847-K851 PolarHBondContact O-N 3.04Å
848	Y	85.4	Confident	88.3	Confident	78 Å²	78	66.3 Å²	66.3	31%	0.306	36%	0.364	S	S	.	.	H	α-helix	trans	-67.8	-38.1	175.3	-65.6	-31.2	0	0	0	113	I737 V740 E844 K851 F852	I737-Y848 HydrophobicContact CG2-CE1 4.26Å; V740-Y848 HydrophobicContact CB-CE1 4.19Å; V740-Y848 HydrophobicContact CG1-CE1 4.14Å; V740-Y848 HydrophobicContact CG2-CE1 4.41Å; E844-Y848 HydrophobicContact CG-CD2 3.76Å; E844-Y848 HydrophobicContact CG-CE2 3.18Å; E844-Y848 WeakPolarHBondContact O-CD2 3.41Å; E844-Y848 PolarHBondContact O-N 3Å; E844-Y848 WeakPolarHBondContact OE1-CE2 3.19Å; E844-Y848 VanDerWaalsContact OE1-CZ 3.3Å; E844-Y848 PolarHBondContact OE1-OH 2.98Å; Y848-K851 WeakPolarHBondContact O-CB 3.34Å; Y848-K851 PolarHBondContact O-N 3.14Å; Y848-F852 PolarHBondContact O-N 3.43Å
849	L	88.4	Confident	87.9	Confident	103 Å²	103	67.6 Å²	67.6	54%	0.539	37%	0.368	S	S	.	.	H	α-helix	trans	-61.9	-45	173.3	178.4	60.5	0	0	0	111	H845 K851 F852 I853	H845-L849 VanDerWaalsContact O-CB 3.22Å; H845-L849 WeakPolarHBondContact O-CB 3.31Å; H845-L849 PolarHBondContact O-N 3.26Å; L849-K851 PolarHBondContact O-N 3.12Å; L849-F852 PolarHBondContact O-N 2.81Å; L849-I853 HydrophobicContact CD1-CD1 4.06Å; L849-I853 HydrophobicContact CD1-CG1 4.4Å; L849-I853 HydrophobicContact CG-CD1 3.97Å; L849-I853 VanDerWaalsContact O-CG1 3.32Å; L849-I853 WeakPolarHBondContact O-CG1 3.33Å; L849-I853 PolarHBondContact O-N 2.7Å
850	T	84.9	Confident	87.6	Confident	45 Å²	45	69.7 Å²	69.7	28%	0.276	38%	0.381	S	S	.	.	H	α-helix	trans	-64.2	-40.3	177.2	-52.4	0	0	0	0	111.5	V387 V846 A847 I853 L854	V387-T850 HydrophobicContact CG2-CG2 3.81Å; V846-T850 WeakPolarHBondContact O-CB 3.49Å; V846-T850 PolarHBondContact O-N 3.21Å; V846-T850 PolarHBondContact O-OG1 3.15Å; A847-T850 PolarHBondContact O-N 3.21Å; T850-I853 PolarHBondContact O-N 3.09Å; T850-L854 HydrophobicContact CG2-CD1 3.88Å; T850-L854 HydrophobicContact CG2-CG 4.43Å; T850-L854 WeakPolarHBondContact O-CB 3.26Å; T850-L854 VanDerWaalsContact O-CG 3.3Å; T850-L854 WeakPolarHBondContact O-CG 3.3Å; T850-L854 PolarHBondContact O-N 3.13Å
851	K	83.2	Confident	87.2	Confident	61 Å²	61	72.5 Å²	72.5	27%	0.265	40%	0.395	S	S	.	.	H	α-helix	trans	-57.2	-48.4	171.6	178.2	176.2	174.7	-178	0	111.9	T390 A847 Y848 L849 L854 A855	T390-K851 HydrophobicContact CG2-CB 3.76Å; T390-K851 HydrophobicContact CG2-CD 4.01Å; T390-K851 HydrophobicContact CG2-CG 3.62Å; A847-K851 WeakPolarHBondContact O-CB 3.21Å; A847-K851 PolarHBondContact O-N 3.04Å; Y848-K851 WeakPolarHBondContact O-CB 3.34Å; Y848-K851 PolarHBondContact O-N 3.14Å; L849-K851 PolarHBondContact O-N 3.12Å; K851-L854 PolarHBondContact O-N 2.83Å; K851-A855 WeakPolarHBondContact O-CB 3.43Å; K851-A855 PolarHBondContact O-N 3.19Å
852	F	86	Confident	86.8	Confident	143 Å²	143	68.6 Å²	68.6	63%	0.627	38%	0.376	S	S	*	.	H	α-helix	trans	-63.4	-42.3	-178.9	-178.4	-96.1	0	0	0	111.9	Y848 L849 S856	Y848-F852 PolarHBondContact O-N 3.43Å; L849-F852 PolarHBondContact O-N 2.81Å; F852-S856 WeakPolarHBondContact O-CB 3.49Å; F852-S856 PolarHBondContact O-N 3.13Å; F852-S856 PolarHBondContact O-OG 2.87Å
853	I	89.6	Confident	86.3	Confident	88 Å²	88	69 Å²	69	45%	0.451	37%	0.372	S	S	.	.	H	α-helix	trans	-62	-48.2	174.8	-67.6	165.3	0	0	0	110.6	L849 T850 A855 S856 V857	L849-I853 HydrophobicContact CD1-CD1 4.06Å; L849-I853 HydrophobicContact CD1-CG1 4.4Å; L849-I853 HydrophobicContact CG-CD1 3.97Å; L849-I853 VanDerWaalsContact O-CG1 3.32Å; L849-I853 WeakPolarHBondContact O-CG1 3.33Å; L849-I853 PolarHBondContact O-N 2.7Å; T850-I853 PolarHBondContact O-N 3.09Å; I853-A855 PolarHBondContact O-N 3.16Å; I853-S856 WeakPolarHBondContact O-CB 3.49Å; I853-S856 PolarHBondContact O-N 2.97Å; I853-S856 VanDerWaalsContact O-N 3.09Å; I853-V857 HydrophobicContact CG2-CG2 4.33Å; I853-V857 VanDerWaalsContact O-CG2 3.32Å; I853-V857 WeakPolarHBondContact O-CG2 3.37Å; I853-V857 PolarHBondContact O-N 3.3Å
854	L	86.9	Confident	86	Confident	38 Å²	38	70.7 Å²	70.7	20%	0.199	38%	0.382	C	S	.	.	H	α-helix	trans	-64.2	-42.3	-178.6	-72.7	167.3	0	0	0	112.7	V387 T390 V391 T850 K851 S856 V857 I858	V387-L854 HydrophobicContact CG1-CD1 3.99Å; T390-L854 WeakPolarHBondContact OG1-CD1 3.49Å; V391-L854 HydrophobicContact CG2-CD1 4.12Å; V391-L854 HydrophobicContact CG2-CD2 4.46Å; T850-L854 HydrophobicContact CG2-CD1 3.88Å; T850-L854 HydrophobicContact CG2-CG 4.43Å; T850-L854 WeakPolarHBondContact O-CB 3.26Å; T850-L854 VanDerWaalsContact O-CG 3.3Å; T850-L854 WeakPolarHBondContact O-CG 3.3Å; T850-L854 PolarHBondContact O-N 3.13Å; K851-L854 PolarHBondContact O-N 2.83Å; L854-S856 PolarHBondContact O-N 2.82Å; L854-V857 PolarHBondContact O-N 2.96Å; L854-I858 WeakPolarHBondContact O-CB 3.17Å; L854-I858 WeakPolarHBondContact O-CG1 3.3Å; L854-I858 PolarHBondContact O-N 3.41Å
855	A	80.4	Confident	85.6	Confident	44 Å²	44	68.8 Å²	68.8	36%	0.364	37%	0.374	S	S	.	.	H	α-helix	trans	-67.2	-21.4	174	0	0	0	0	0	113.4	K851 I853	K851-A855 WeakPolarHBondContact O-CB 3.43Å; K851-A855 PolarHBondContact O-N 3.19Å; I853-A855 PolarHBondContact O-N 3.16Å
856	S	86.1	Confident	85.4	Confident	83 Å²	83	68.8 Å²	68.8	58%	0.58	37%	0.369	S	S	*	.	H	α-helix	trans	-84.3	-25.4	172.9	-56.6	0	0	0	0	113	F852 I853 L854	F852-S856 WeakPolarHBondContact O-CB 3.49Å; F852-S856 PolarHBondContact O-N 3.13Å; F852-S856 PolarHBondContact O-OG 2.87Å; I853-S856 WeakPolarHBondContact O-CB 3.49Å; I853-S856 PolarHBondContact O-N 2.97Å; I853-S856 VanDerWaalsContact O-N 3.09Å; L854-S856 PolarHBondContact O-N 2.82Å
857	V	90.3	Very high	85.2	Confident	107 Å²	107	70.1 Å²	70.1	65%	0.648	37%	0.37	S	S	*	.	H	α-helix	trans	-91.2	-32.7	-178.1	168.6	0	0	0	0	112.4	I853 L854 P859	I853-V857 HydrophobicContact CG2-CG2 4.33Å; I853-V857 VanDerWaalsContact O-CG2 3.32Å; I853-V857 WeakPolarHBondContact O-CG2 3.37Å; I853-V857 PolarHBondContact O-N 3.3Å; L854-V857 PolarHBondContact O-N 2.96Å; V857-P859 WeakPolarHBondContact O-CD 3.41Å
858	I	87.5	Confident	85	Confident	19 Å²	19	70.4 Å²	70.4	10%	0.097	37%	0.368	C	S	.	.	S	Bend	trans	-97.8	106.8	179.8	-58.1	169.1	0	0	0	108.5	E394 F395 L854	E394-I858 HydrophobicContact CB-CB 4.31Å; E394-I858 HydrophobicContact CB-CD1 4.25Å; E394-I858 HydrophobicContact CB-CG2 4Å; F395-I858 HydrophobicContact CD1-CD1 4.25Å; F395-I858 HydrophobicContact CD1-CG2 3.88Å; F395-I858 HydrophobicContact CE1-CD1 3.75Å; F395-I858 HydrophobicContact CE1-CG1 4.12Å; F395-I858 HydrophobicContact CE1-CG2 3.86Å; F395-I858 HydrophobicContact CZ-CD1 4.3Å; L854-I858 WeakPolarHBondContact O-CB 3.17Å; L854-I858 WeakPolarHBondContact O-CG1 3.3Å; L854-I858 PolarHBondContact O-N 3.41Å
859	P	87.4	Confident	84.8	Confident	79 Å²	79	68.4 Å²	68.4	51%	0.513	36%	0.362	S	S	.	.			trans	-71	138.8	176.1	29.2	-34.5	0	0	0	111.1	V857 I861	V857-P859 WeakPolarHBondContact O-CD 3.41Å; P859-I861 PolarHBondContact O-N 2.93Å; P859-I861 VanDerWaalsContact O-N 3.14Å
860	D	85.4	Confident	84.6	Confident	81 Å²	81	70.1 Å²	70.1	43%	0.433	37%	0.366	S	S	.	.	S	Bend	trans	-54.8	-32.7	179.1	-61.6	-72.7	0	0	0	113	K397 R398	K397-D860 WeakPolarHBondContact CD-OD1 3.43Å; K397-D860 WeakPolarHBondContact CE-OD1 3.39Å; K397-D860 IonicContact NZ-OD1 3.13Å; K397-D860 PolarHBondContact NZ-OD1 3.18Å; R398-D860 WeakPolarHBondContact CA-O 3.46Å
861	I	84.5	Confident	84.5	Confident	77 Å²	77	71.3 Å²	71.3	40%	0.395	37%	0.365	S	S	.	.	S	Bend	trans	-116.6	131.1	-177.6	-54.2	177.2	0	0	0	109.9	P859 R866	P859-I861 PolarHBondContact O-N 2.93Å; P859-I861 VanDerWaalsContact O-N 3.14Å; I861-R866 HydrophobicContact CG2-CB 4.16Å
862	S	84.5	Confident	84.3	Confident	8 Å²	8	69 Å²	69	6%	0.056	36%	0.355	C	S	.	.			trans	-61.8	144.9	175.2	-164.6	0	0	0	0	111.8	R398 T864 T865 R866	R398-S862 PolarHBondContact NH2-OG 2.86Å; S862-T864 VanDerWaalsContact C-N 3.3Å; S862-T864 PolarHBondContact O-N 3.04Å; S862-T864 PolarHBondContact OG-OG1 3.2Å; S862-T864 VanDerWaalsContact OG-OG1 3.06Å; S862-T865 WeakPolarHBondContact CB-OG1 3.35Å; S862-T865 PolarHBondContact O-N 2.87Å; S862-R866 WeakPolarHBondContact O-CB 3.45Å; S862-R866 PolarHBondContact O-N 3.22Å
863	H	81.8	Confident	84.1	Confident	100 Å²	100	68.4 Å²	68.4	46%	0.463	35%	0.349	S	S	.	.	H	α-helix	trans	-56.3	-46	178.3	-161.3	-79.7	0	0	0	111.8	R866 E867	H863-R866 PolarHBondContact CD2-NH2 3.17Å; H863-R866 PolarHBondContact NE2-NH2 3.35Å; H863-R866 WeakPolarHBondContact O-CB 3.48Å; H863-R866 PolarHBondContact O-N 2.89Å; H863-E867 IonicContact CE1-OE1 2.79Å; H863-E867 PolarHBondContact CE1-OE1 3.35Å; H863-E867 IonicContact CE1-OE2 3.09Å; H863-E867 PolarHBondContact CE1-OE2 3.38Å; H863-E867 IonicContact CG-OE2 2.8Å; H863-E867 IonicContact ND1-OE1 3.86Å; H863-E867 PolarHBondContact ND1-OE1 2.99Å; H863-E867 IonicContact ND1-OE2 2.65Å; H863-E867 PolarHBondContact ND1-OE2 2.72Å; H863-E867 WeakPolarHBondContact O-CG 3.42Å; H863-E867 PolarHBondContact O-N 3.14Å
864	T	80.4	Confident	83.9	Confident	66 Å²	66	72 Å²	72	41%	0.405	36%	0.358	S	S	.	.	H	α-helix	trans	-55	-57.8	175.6	48.8	0	0	0	0	111.8	S862 R866 E867 H868	S862-T864 VanDerWaalsContact C-N 3.3Å; S862-T864 PolarHBondContact O-N 3.04Å; S862-T864 PolarHBondContact OG-OG1 3.2Å; S862-T864 VanDerWaalsContact OG-OG1 3.06Å; T864-R866 PolarHBondContact O-N 2.97Å; T864-E867 CarbonylContact O-C 3.44Å; T864-E867 WeakPolarHBondContact O-CA 3.28Å; T864-E867 WeakPolarHBondContact O-CB 3.29Å; T864-E867 PolarHBondContact O-N 3.37Å; T864-H868 VanDerWaalsContact C-CD2 3.42Å; T864-H868 PolarHBondContact O-CD2 3.01Å; T864-H868 PolarHBondContact O-N 3.23Å
865	T	81.4	Confident	83.6	Confident	10 Å²	10	71.7 Å²	71.7	6%	0.061	36%	0.356	C	S	.	.	H	α-helix	trans	-55.7	-38.2	178.6	-44.9	0	0	0	0	112.2	S401 F405 S862 E867 H868 L869	S401-T865 WeakPolarHBondContact O-CG2 3.32Å; F405-T865 HydrophobicContact CB-CG2 3.77Å; F405-T865 HydrophobicContact CG-CG2 4.13Å; S862-T865 WeakPolarHBondContact CB-OG1 3.35Å; S862-T865 PolarHBondContact O-N 2.87Å; T865-E867 VanDerWaalsContact C-N 3.32Å; T865-E867 PolarHBondContact O-N 2.9Å; T865-H868 PolarHBondContact O-N 2.81Å; T865-L869 VanDerWaalsContact O-CB 3.3Å; T865-L869 WeakPolarHBondContact O-CB 3.18Å; T865-L869 PolarHBondContact O-N 3.45Å
866	R	85.6	Confident	83.4	Confident	122 Å²	122	70.7 Å²	70.7	46%	0.46	35%	0.346	S	S	.	.	H	α-helix	trans	-67.4	-29.7	175.5	-172.4	179.4	70.5	168.6	3	113.1	I861 S862 H863 T864 K870	I861-R866 HydrophobicContact CG2-CB 4.16Å; S862-R866 WeakPolarHBondContact O-CB 3.45Å; S862-R866 PolarHBondContact O-N 3.22Å; H863-R866 PolarHBondContact CD2-NH2 3.17Å; H863-R866 PolarHBondContact NE2-NH2 3.35Å; H863-R866 WeakPolarHBondContact O-CB 3.48Å; H863-R866 PolarHBondContact O-N 2.89Å; T864-R866 PolarHBondContact O-N 2.97Å; R866-K870 VanDerWaalsContact O-CG 3.28Å; R866-K870 WeakPolarHBondContact O-CG 3.34Å; R866-K870 PolarHBondContact O-N 3.49Å
867	E	84.4	Confident	83.2	Confident	102 Å²	102	73.3 Å²	73.3	48%	0.477	35%	0.349	S	S	.	.	H	α-helix	trans	-77.9	-44.3	173.5	-70.7	168.4	127.6	0	0	111.5	H863 T864 T865 L869 K870 R871	H863-E867 IonicContact CE1-OE1 2.79Å; H863-E867 PolarHBondContact CE1-OE1 3.35Å; H863-E867 IonicContact CE1-OE2 3.09Å; H863-E867 PolarHBondContact CE1-OE2 3.38Å; H863-E867 IonicContact CG-OE2 2.8Å; H863-E867 IonicContact ND1-OE1 3.86Å; H863-E867 PolarHBondContact ND1-OE1 2.99Å; H863-E867 IonicContact ND1-OE2 2.65Å; H863-E867 PolarHBondContact ND1-OE2 2.72Å; H863-E867 WeakPolarHBondContact O-CG 3.42Å; H863-E867 PolarHBondContact O-N 3.14Å; T864-E867 CarbonylContact O-C 3.44Å; T864-E867 WeakPolarHBondContact O-CA 3.28Å; T864-E867 WeakPolarHBondContact O-CB 3.29Å; T864-E867 PolarHBondContact O-N 3.37Å; T865-E867 VanDerWaalsContact C-N 3.32Å; T865-E867 PolarHBondContact O-N 2.9Å; E867-L869 PolarHBondContact O-N 2.89Å; E867-K870 WeakPolarHBondContact O-CB 3.39Å; E867-K870 PolarHBondContact O-N 3.05Å; E867-R871 PolarHBondContact O-N 3.42Å
868	H	79.9	Confident	82.9	Confident	25 Å²	25	70.2 Å²	70.2	12%	0.116	34%	0.335	C	S	.	.	H	α-helix	trans	-61.4	-44.6	175.6	-61.6	-70.1	0	0	0	112.1	F405 T864 T865 K870 R871 E872	F405-H868 HydrophobicContact CD1-CB 4.46Å; F405-H868 HydrophobicContact CE1-CB 3.66Å; F405-H868 HydrophobicContact CE2-CB 4.03Å; F405-H868 HydrophobicContact CZ-CB 3.43Å; F405-H868 VanDerWaalsContact CZ-CB 3.43Å; T864-H868 VanDerWaalsContact C-CD2 3.42Å; T864-H868 PolarHBondContact O-CD2 3.01Å; T864-H868 PolarHBondContact O-N 3.23Å; T865-H868 PolarHBondContact O-N 2.81Å; H868-K870 VanDerWaalsContact C-N 3.28Å; H868-K870 PolarHBondContact O-N 3.07Å; H868-R871 PolarHBondContact O-N 3.33Å; H868-R871 VanDerWaalsContact O-N 3.1Å; H868-E872 WeakPolarHBondContact O-CB 3.39Å; H868-E872 PolarHBondContact O-N 3.21Å
869	L	80.9	Confident	82.4	Confident	35 Å²	35	71.2 Å²	71.2	18%	0.183	34%	0.34	C	S	.	.	H	α-helix	trans	-62.6	-32.9	175.9	-176.1	67.1	0	0	0	112.7	F405 V410 T865 E867 R873	F405-L869 HydrophobicContact CD2-CB 4.32Å; F405-L869 HydrophobicContact CD2-CD1 4.29Å; F405-L869 HydrophobicContact CE2-CB 4.45Å; V410-L869 HydrophobicContact CG1-CD1 4.19Å; V410-L869 HydrophobicContact CG1-CD2 4.5Å; T865-L869 VanDerWaalsContact O-CB 3.3Å; T865-L869 WeakPolarHBondContact O-CB 3.18Å; T865-L869 PolarHBondContact O-N 3.45Å; E867-L869 PolarHBondContact O-N 2.89Å; L869-R873 WeakPolarHBondContact O-CB 3.42Å; L869-R873 WeakPolarHBondContact O-CD 3.31Å; L869-R873 VanDerWaalsContact O-CG 3.26Å; L869-R873 WeakPolarHBondContact O-CG 3.45Å; L869-R873 PolarHBondContact O-N 3.01Å
870	K	85.3	Confident	81.7	Confident	140 Å²	140	70.3 Å²	70.3	61%	0.609	33%	0.33	S	S	*	.	H	α-helix	trans	-69.3	-42.8	171.6	-78.5	176.1	177.1	-170.8	0	111.5	R866 E867 H868 Y874	R866-K870 VanDerWaalsContact O-CG 3.28Å; R866-K870 WeakPolarHBondContact O-CG 3.34Å; R866-K870 PolarHBondContact O-N 3.49Å; E867-K870 WeakPolarHBondContact O-CB 3.39Å; E867-K870 PolarHBondContact O-N 3.05Å; H868-K870 VanDerWaalsContact C-N 3.28Å; H868-K870 PolarHBondContact O-N 3.07Å; K870-Y874 WeakPolarHBondContact O-CB 3.35Å; K870-Y874 PolarHBondContact O-N 2.65Å
871	R	82.3	Confident	81.6	Confident	69 Å²	69	72.1 Å²	72.1	26%	0.26	34%	0.335	S	S	.	.	H	α-helix	trans	-66.4	-44.2	178.6	-177.9	169.2	171.4	-170.6	-8.6	111.8	D151 H152 Y183 E867 H868 Y874 L875	D151-R871 IonicContact OD2-CZ 3.55Å; D151-R871 IonicContact OD2-NH1 3.38Å; D151-R871 IonicContact OD2-NH2 2.68Å; D151-R871 PolarHBondContact OD2-NH2 3.22Å; H152-R871 PolarHBondContact CD2-NH1 3.1Å; H152-R871 PolarHBondContact NE2-NH1 3.37Å; Y183-R871 HydrophobicContact CE1-CG 4.29Å; Y183-R871 VanDerWaalsContact OH-CD 3.28Å; Y183-R871 WeakPolarHBondContact OH-CD 3.39Å; Y183-R871 VanDerWaalsContact OH-CZ 3.29Å; Y183-R871 PolarHBondContact OH-NE 2.78Å; E867-R871 PolarHBondContact O-N 3.42Å; H868-R871 PolarHBondContact O-N 3.33Å; H868-R871 VanDerWaalsContact O-N 3.1Å; R871-Y874 PolarHBondContact O-N 3.03Å; R871-L875 HydrophobicContact CG-CD1 3.93Å; R871-L875 HydrophobicContact CG-CG 4.23Å; R871-L875 WeakPolarHBondContact O-CB 3.41Å; R871-L875 WeakPolarHBondContact O-CG 3.27Å; R871-L875 PolarHBondContact O-N 2.78Å
872	E	78.8	Confident	81.5	Confident	13 Å²	13	74 Å²	74	6%	0.061	34%	0.343	C	S	.	.	H	α-helix	trans	-55.8	-51.9	174.9	-174	-153.1	160.5	0	0	111	K144 Y183 F405 H868 Y874 L875 T876	K144-E872 IonicContact NZ-OE1 3.24Å; K144-E872 PolarHBondContact NZ-OE1 3.43Å; Y183-E872 HydrophobicContact CD1-CB 4.3Å; F405-E872 HydrophobicContact CE2-CB 4.38Å; F405-E872 WeakPolarHBondContact CE2-OE2 3.37Å; H868-E872 WeakPolarHBondContact O-CB 3.39Å; H868-E872 PolarHBondContact O-N 3.21Å; E872-Y874 VanDerWaalsContact C-N 3.33Å; E872-Y874 PolarHBondContact O-N 2.86Å; E872-L875 PolarHBondContact O-N 2.84Å; E872-T876 WeakPolarHBondContact O-CB 3.27Å; E872-T876 PolarHBondContact O-N 3.4Å; E872-T876 PolarHBondContact O-OG1 3.33Å
873	R	81.6	Confident	81	Confident	131 Å²	131	74.8 Å²	74.8	49%	0.494	35%	0.347	S	S	.	.	H	α-helix	trans	-59.7	-42	178.1	-73.1	174	178.4	-171.2	-0.3	112.5	L869 Q877	L869-R873 WeakPolarHBondContact O-CB 3.42Å; L869-R873 WeakPolarHBondContact O-CD 3.31Å; L869-R873 VanDerWaalsContact O-CG 3.26Å; L869-R873 WeakPolarHBondContact O-CG 3.45Å; L869-R873 PolarHBondContact O-N 3.01Å; R873-Q877 WeakPolarHBondContact O-CB 3.3Å; R873-Q877 VanDerWaalsContact O-CG 3.25Å; R873-Q877 WeakPolarHBondContact O-CG 3.34Å; R873-Q877 PolarHBondContact O-N 2.04Å
874	Y	85.7	Confident	80.8	Confident	164 Å²	164	78 Å²	78	64%	0.643	36%	0.355	S	S	*	.	H	α-helix	trans	-64.7	-47.8	177.3	176.3	-99.1	0	0	0	112.3	K870 R871 E872 Q877 A878	K870-Y874 WeakPolarHBondContact O-CB 3.35Å; K870-Y874 PolarHBondContact O-N 2.65Å; R871-Y874 PolarHBondContact O-N 3.03Å; E872-Y874 VanDerWaalsContact C-N 3.33Å; E872-Y874 PolarHBondContact O-N 2.86Å; Y874-Q877 PolarHBondContact O-N 2.87Å; Y874-A878 WeakPolarHBondContact O-CB 3.1Å; Y874-A878 PolarHBondContact O-N 3.08Å
875	L	81.4	Confident	80.9	Confident	31 Å²	31	79.6 Å²	79.6	16%	0.162	36%	0.361	C	S	.	.	H	α-helix	trans	-62.2	-47.6	177.9	-70.8	174.9	0	0	0	111.3	Y183 R871 E872 Q877 A878 I879	Y183-L875 HydrophobicContact CD1-CD1 4Å; Y183-L875 HydrophobicContact CD2-CD1 3.64Å; Y183-L875 HydrophobicContact CE1-CD1 4.06Å; Y183-L875 HydrophobicContact CE2-CD1 3.68Å; Y183-L875 HydrophobicContact CG-CD1 3.81Å; R871-L875 HydrophobicContact CG-CD1 3.93Å; R871-L875 HydrophobicContact CG-CG 4.23Å; R871-L875 WeakPolarHBondContact O-CB 3.41Å; R871-L875 WeakPolarHBondContact O-CG 3.27Å; R871-L875 PolarHBondContact O-N 2.78Å; E872-L875 PolarHBondContact O-N 2.84Å; L875-Q877 VanDerWaalsContact C-N 3.32Å; L875-Q877 PolarHBondContact O-N 2.99Å; L875-A878 PolarHBondContact O-N 3.31Å; L875-I879 WeakPolarHBondContact O-CB 3.35Å; L875-I879 VanDerWaalsContact O-CG1 3.27Å; L875-I879 WeakPolarHBondContact O-CG1 3.13Å; L875-I879 PolarHBondContact O-N 3.34Å
876	T	75.4	Confident	80.7	Confident	23 Å²	23	82.9 Å²	82.9	14%	0.141	38%	0.378	C	S	.	.	H	α-helix	trans	-60.9	-39.5	177.9	-67.7	0	0	0	0	111.8	A185 E872 I880	A185-T876 HydrophobicContact CB-CG2 4.15Å; E872-T876 WeakPolarHBondContact O-CB 3.27Å; E872-T876 PolarHBondContact O-N 3.4Å; E872-T876 PolarHBondContact O-OG1 3.33Å; T876-I880 HydrophobicContact CG2-CD1 3.77Å; T876-I880 WeakPolarHBondContact O-CB 3.47Å; T876-I880 WeakPolarHBondContact O-CD1 3.35Å; T876-I880 WeakPolarHBondContact O-CG1 3.48Å; T876-I880 PolarHBondContact O-N 2.88Å
877	Q	82	Confident	80.2	Confident	137 Å²	137	80.1 Å²	80.1	64%	0.64	37%	0.372	S	S	*	.	H	α-helix	trans	-65.3	-44.8	173	-76.2	175.9	-7.9	0	0	112.6	R873 Y874 L875 H881	R873-Q877 WeakPolarHBondContact O-CB 3.3Å; R873-Q877 VanDerWaalsContact O-CG 3.25Å; R873-Q877 WeakPolarHBondContact O-CG 3.34Å; R873-Q877 PolarHBondContact O-N 2.04Å; Y874-Q877 PolarHBondContact O-N 2.87Å; L875-Q877 VanDerWaalsContact C-N 3.32Å; L875-Q877 PolarHBondContact O-N 2.99Å; Q877-H881 WeakPolarHBondContact O-CB 3.47Å; Q877-H881 PolarHBondContact O-N 3.48Å
878	A	84.5	Confident	80	Confident	43 Å²	43	79 Å²	79	36%	0.355	37%	0.372	S	S	.	.	H	α-helix	trans	-62.5	-45.2	178.8	0	0	0	0	0	112	Y874 L875 H881 E882	Y874-A878 WeakPolarHBondContact O-CB 3.1Å; Y874-A878 PolarHBondContact O-N 3.08Å; L875-A878 PolarHBondContact O-N 3.31Å; A878-H881 WeakPolarHBondContact O-CB 3.08Å; A878-H881 PolarHBondContact O-N 3.48Å; A878-E882 PolarHBondContact O-N 2.86Å
879	I	76.8	Confident	79.9	Confident	40 Å²	40	80.4 Å²	80.4	21%	0.205	39%	0.385	C	S	.	.	H	α-helix	trans	-66.3	-45.8	179.4	-67.2	164.8	0	0	0	110.6	I147 C194 L875 H881 E882 V883	I147-I879 HydrophobicContact CD1-CD1 4.35Å; I147-I879 HydrophobicContact CG2-CD1 3.77Å; C194-I879 HydrophobicContact CB-CG2 4.48Å; L875-I879 WeakPolarHBondContact O-CB 3.35Å; L875-I879 VanDerWaalsContact O-CG1 3.27Å; L875-I879 WeakPolarHBondContact O-CG1 3.13Å; L875-I879 PolarHBondContact O-N 3.34Å; I879-H881 PolarHBondContact O-N 2.05Å; I879-E882 PolarHBondContact O-N 3.27Å; I879-V883 HydrophobicContact CG2-CG2 4.24Å; I879-V883 WeakPolarHBondContact O-CB 3.12Å; I879-V883 WeakPolarHBondContact O-CG2 3.48Å; I879-V883 PolarHBondContact O-N 3.46Å
880	I	74.2	Confident	79.6	Confident	60 Å²	60	85.2 Å²	85.2	31%	0.308	40%	0.404	S	S	.	.	H	α-helix	trans	-60	-37.4	175.2	-70.4	168.2	0	0	0	111	T876 R884	T876-I880 HydrophobicContact CG2-CD1 3.77Å; T876-I880 WeakPolarHBondContact O-CB 3.47Å; T876-I880 WeakPolarHBondContact O-CD1 3.35Å; T876-I880 WeakPolarHBondContact O-CG1 3.48Å; T876-I880 PolarHBondContact O-N 2.88Å; I880-R884 WeakPolarHBondContact O-CB 3.4Å; I880-R884 VanDerWaalsContact O-CG 3.26Å; I880-R884 WeakPolarHBondContact O-CG 3.18Å; I880-R884 PolarHBondContact O-N 3.21Å
881	H	82.6	Confident	79	Confident	118 Å²	118	88 Å²	88	55%	0.546	41%	0.41	S	S	.	.	H	α-helix	trans	-68	-47.5	176.3	-175.5	-95.7	0	0	0	112.4	Q877 A878 I879 V883 R884 L885	Q877-H881 WeakPolarHBondContact O-CB 3.47Å; Q877-H881 PolarHBondContact O-N 3.48Å; A878-H881 WeakPolarHBondContact O-CB 3.08Å; A878-H881 PolarHBondContact O-N 3.48Å; I879-H881 PolarHBondContact O-N 2.05Å; H881-V883 VanDerWaalsContact C-N 3.33Å; H881-V883 PolarHBondContact O-N 2.96Å; H881-R884 WeakPolarHBondContact O-CB 3.13Å; H881-R884 PolarHBondContact O-N 3.21Å; H881-L885 WeakPolarHBondContact O-CG 3.47Å; H881-L885 PolarHBondContact O-N 3.01Å
882	E	82.9	Confident	78.5	Confident	118 Å²	118	90 Å²	90	55%	0.551	43%	0.426	S	S	*	.	H	α-helix	trans	-61.4	-41.3	176.9	-162.8	-161.1	142	0	0	111.7	A878 I879 R884 L885 N886	A878-E882 PolarHBondContact O-N 2.86Å; I879-E882 PolarHBondContact O-N 3.27Å; E882-R884 PolarHBondContact O-N 3.4Å; E882-L885 WeakPolarHBondContact O-CB 3.39Å; E882-L885 PolarHBondContact O-N 3.32Å; E882-N886 WeakPolarHBondContact O-CB 3.46Å; E882-N886 PolarHBondContact O-N 3.2Å; E882-N886 PolarHBondContact O-ND2 2.63Å; E882-N886 PolarHBondContact OE1-ND2 3.07Å
883	V	73.4	Confident	77.8	Confident	24 Å²	24	95.6 Å²	95.6	15%	0.145	45%	0.45	C	S	.	.	H	α-helix	trans	-66.4	-38.6	177.8	175.9	0	0	0	0	111.1	H191 C194 I879 H881 N886 L887	H191-V883 WeakPolarHBondContact CD2-CG1 3.42Å; C194-V883 WeakPolarHBondContact SG-CG2 3.34Å; I879-V883 HydrophobicContact CG2-CG2 4.24Å; I879-V883 WeakPolarHBondContact O-CB 3.12Å; I879-V883 WeakPolarHBondContact O-CG2 3.48Å; I879-V883 PolarHBondContact O-N 3.46Å; H881-V883 VanDerWaalsContact C-N 3.33Å; H881-V883 PolarHBondContact O-N 2.96Å; V883-N886 PolarHBondContact O-N 2.58Å; V883-L887 HydrophobicContact CG1-CD1 4.1Å; V883-L887 HydrophobicContact CG1-CG 4.46Å; V883-L887 WeakPolarHBondContact O-CB 3.46Å; V883-L887 VanDerWaalsContact O-CG 3.27Å; V883-L887 WeakPolarHBondContact O-CG 3.32Å; V883-L887 PolarHBondContact O-N 3.19Å
884	R	77.1	Confident	76.5	Confident	166 Å²	166	92.3 Å²	92.3	63%	0.626	45%	0.446	S	S	*	.	H	α-helix	trans	-60.6	-46.1	170.3	-77.5	173.1	176	-159.6	-2.2	111.8	I880 H881 E882 N886 L887 V888	I880-R884 WeakPolarHBondContact O-CB 3.4Å; I880-R884 VanDerWaalsContact O-CG 3.26Å; I880-R884 WeakPolarHBondContact O-CG 3.18Å; I880-R884 PolarHBondContact O-N 3.21Å; H881-R884 WeakPolarHBondContact O-CB 3.13Å; H881-R884 PolarHBondContact O-N 3.21Å; E882-R884 PolarHBondContact O-N 3.4Å; R884-N886 PolarHBondContact O-N 2.82Å; R884-L887 PolarHBondContact O-N 3.06Å; R884-V888 WeakPolarHBondContact O-CG2 3.24Å; R884-V888 PolarHBondContact O-N 3.16Å
885	L	82.4	Confident	75	Confident	101 Å²	101	89 Å²	89	53%	0.529	44%	0.442	S	S	.	.	H	α-helix	trans	-60.4	-43.9	175.3	-69.8	177.2	0	0	0	111.9	H881 E882 L887 V888 S889	H881-L885 WeakPolarHBondContact O-CG 3.47Å; H881-L885 PolarHBondContact O-N 3.01Å; E882-L885 WeakPolarHBondContact O-CB 3.39Å; E882-L885 PolarHBondContact O-N 3.32Å; L885-L887 PolarHBondContact O-N 3.16Å; L885-V888 PolarHBondContact O-N 3.2Å; L885-S889 VanDerWaalsContact O-CB 3.31Å; L885-S889 WeakPolarHBondContact O-CB 3.43Å; L885-S889 PolarHBondContact O-N 3.39Å
886	N	77.9	Confident	73.7	Confident	78 Å²	78	95.2 Å²	95.2	42%	0.417	47%	0.468	S	S	.	.	H	α-helix	trans	-65.8	-35.6	177.3	-82.4	-47.3	0	0	0	112.5	E882 V883 R884 K890	E882-N886 WeakPolarHBondContact O-CB 3.46Å; E882-N886 PolarHBondContact O-N 3.2Å; E882-N886 PolarHBondContact O-ND2 2.63Å; E882-N886 PolarHBondContact OE1-ND2 3.07Å; V883-N886 PolarHBondContact O-N 2.58Å; R884-N886 PolarHBondContact O-N 2.82Å; N886-K890 WeakPolarHBondContact O-CB 3.33Å; N886-K890 VanDerWaalsContact O-CG 3.31Å; N886-K890 WeakPolarHBondContact O-CG 3.33Å; N886-K890 PolarHBondContact O-N 2.93Å
887	L	75.8	Confident	72.7	Confident	64 Å²	64	98.9 Å²	98.9	34%	0.335	49%	0.487	S	S	.	.	H	α-helix	trans	-69.7	-42	173.2	-74.4	169.8	0	0	0	112.1	V883 R884 L885 K890 R891	V883-L887 HydrophobicContact CG1-CD1 4.1Å; V883-L887 HydrophobicContact CG1-CG 4.46Å; V883-L887 WeakPolarHBondContact O-CB 3.46Å; V883-L887 VanDerWaalsContact O-CG 3.27Å; V883-L887 WeakPolarHBondContact O-CG 3.32Å; V883-L887 PolarHBondContact O-N 3.19Å; R884-L887 PolarHBondContact O-N 3.06Å; L885-L887 PolarHBondContact O-N 3.16Å; L887-K890 PolarHBondContact O-N 3.09Å; L887-R891 WeakPolarHBondContact O-CG 3.32Å; L887-R891 PolarHBondContact O-N 3.37Å
888	V	78.8	Confident	71.3	Confident	79 Å²	79	97.2 Å²	97.2	48%	0.479	48%	0.482	S	S	.	.	H	α-helix	trans	-63.4	-44.4	173.7	170.2	0	0	0	0	110.5	R884 L885 K890 R891 L892	R884-V888 WeakPolarHBondContact O-CG2 3.24Å; R884-V888 PolarHBondContact O-N 3.16Å; L885-V888 PolarHBondContact O-N 3.2Å; V888-K890 PolarHBondContact O-N 2.98Å; V888-R891 PolarHBondContact O-N 3.02Å; V888-R891 VanDerWaalsContact O-N 3.08Å; V888-L892 HydrophobicContact CG1-CD1 3.82Å; V888-L892 HydrophobicContact CG1-CG 4.38Å; V888-L892 WeakPolarHBondContact O-CG 3.5Å; V888-L892 PolarHBondContact O-N 3.41Å
889	S	78.5	Confident	69.8	Low	55 Å²	55	100 Å²	100	39%	0.385	49%	0.491	S	S	.	.	H	α-helix	trans	-58.2	-45.5	173.3	-173.6	0	0	0	0	112	L885 R891 L892 K893	L885-S889 VanDerWaalsContact O-CB 3.31Å; L885-S889 WeakPolarHBondContact O-CB 3.43Å; L885-S889 PolarHBondContact O-N 3.39Å; S889-R891 VanDerWaalsContact C-N 3.3Å; S889-R891 PolarHBondContact O-N 2.95Å; S889-L892 PolarHBondContact O-N 3.25Å; S889-K893 WeakPolarHBondContact O-CG 3.37Å; S889-K893 PolarHBondContact O-N 3.1Å
890	K	74.9	Confident	68.7	Low	136 Å²	136	101.3 Å²	101.3	59%	0.591	50%	0.503	S	S	*	.	H	α-helix	trans	-63.7	-28.8	173.8	-78.2	177	179.5	178.2	0	113.6	N886 L887 V888 P894	N886-K890 WeakPolarHBondContact O-CB 3.33Å; N886-K890 VanDerWaalsContact O-CG 3.31Å; N886-K890 WeakPolarHBondContact O-CG 3.33Å; N886-K890 PolarHBondContact O-N 2.93Å; L887-K890 PolarHBondContact O-N 3.09Å; V888-K890 PolarHBondContact O-N 2.98Å; K890-P894 WeakPolarHBondContact O-CD 3.3Å
891	R	73.3	Confident	67.6	Low	197 Å²	197	101 Å²	101	74%	0.743	51%	0.506	S	S	*	.	H	α-helix	trans	-78.8	-30.1	172.9	-72.7	-179.6	-175.8	-174.4	2.4	113.1	L887 V888 S889 P894	L887-R891 WeakPolarHBondContact O-CG 3.32Å; L887-R891 PolarHBondContact O-N 3.37Å; V888-R891 PolarHBondContact O-N 3.02Å; V888-R891 VanDerWaalsContact O-N 3.08Å; S889-R891 VanDerWaalsContact C-N 3.3Å; S889-R891 PolarHBondContact O-N 2.95Å; R891-P894 WeakPolarHBondContact O-CD 3.5Å; R891-P894 WeakPolarHBondContact O-CG 3.24Å
892	L	70.2	Confident	66.1	Low	111 Å²	111	100.9 Å²	100.9	58%	0.581	51%	0.506	S	S	*	.	H	α-helix	trans	-79	-26.5	177.5	-71.4	168.5	0	0	0	113.2	V888 S889 V895 K896	V888-L892 HydrophobicContact CG1-CD1 3.82Å; V888-L892 HydrophobicContact CG1-CG 4.38Å; V888-L892 WeakPolarHBondContact O-CG 3.5Å; V888-L892 PolarHBondContact O-N 3.41Å; S889-L892 PolarHBondContact O-N 3.25Å; L892-V895 PolarHBondContact O-N 2.83Å; L892-K896 PolarHBondContact O-N 2.98Å
893	K	63.7	Low	64.7	Low	132 Å²	132	101 Å²	101	57%	0.574	51%	0.508	S	S	*	.	H	α-helix	trans	-58	-54.2	175.7	-80.3	-173.2	176	-168.6	0	114.9	S889 V895 K896 D897	S889-K893 WeakPolarHBondContact O-CG 3.37Å; S889-K893 PolarHBondContact O-N 3.1Å; K893-V895 PolarHBondContact O-N 3.02Å; K893-K896 CarbonylContact O-C 3.56Å; K893-K896 WeakPolarHBondContact O-CA 3.36Å; K893-K896 WeakPolarHBondContact O-CB 3.49Å; K893-K896 PolarHBondContact O-N 3.28Å; K893-D897 PolarHBondContact O-N 3.1Å
894	P	56	Low	63.6	Low	62 Å²	62	102.8 Å²	102.8	40%	0.403	53%	0.525	S	S	.	.	H	α-helix	trans	-59.7	-34.6	179.8	23.1	-34.1	0	0	0	112.5	K890 R891 K896 D897 D898	K890-P894 WeakPolarHBondContact O-CD 3.3Å; R891-P894 WeakPolarHBondContact O-CD 3.5Å; R891-P894 WeakPolarHBondContact O-CG 3.24Å; P894-K896 VanDerWaalsContact C-N 3.28Å; P894-K896 PolarHBondContact O-N 3.03Å; P894-D897 PolarHBondContact O-N 3.18Å; P894-D898 WeakPolarHBondContact O-CB 3.4Å; P894-D898 PolarHBondContact O-N 3.13Å
895	V	53.7	Low	62.2	Low	93 Å²	93	103.4 Å²	103.4	56%	0.564	53%	0.527	S	S	*	.	H	α-helix	trans	-61.3	-38	172.9	-177.4	0	0	0	0	111.4	L892 K893 L899	L892-V895 PolarHBondContact O-N 2.83Å; K893-V895 PolarHBondContact O-N 3.02Å; V895-L899 VanDerWaalsContact O-CB 3.25Å; V895-L899 WeakPolarHBondContact O-CB 3.12Å; V895-L899 PolarHBondContact O-N 2.74Å
896	K	53.1	Low	60.5	Low	162 Å²	162	104.3 Å²	104.3	70%	0.704	53%	0.533	S	S	*	.	H	α-helix	trans	-72.8	-38.8	176.7	-122.6	-173.2	-178.9	-170.7	0	112.8	L892 K893 P894 L899 S900	L892-K896 PolarHBondContact O-N 2.98Å; K893-K896 CarbonylContact O-C 3.56Å; K893-K896 WeakPolarHBondContact O-CA 3.36Å; K893-K896 WeakPolarHBondContact O-CB 3.49Å; K893-K896 PolarHBondContact O-N 3.28Å; P894-K896 VanDerWaalsContact C-N 3.28Å; P894-K896 PolarHBondContact O-N 3.03Å; K896-L899 PolarHBondContact O-N 3.23Å; K896-S900 WeakPolarHBondContact O-CB 3.39Å; K896-S900 PolarHBondContact O-N 3.14Å
897	D	54.2	Low	59.1	Low	101 Å²	101	107.1 Å²	107.1	54%	0.54	55%	0.548	S	S	.	.	H	α-helix	trans	-69.4	-44.5	179	-60.2	-32	0	0	0	110	K893 P894 S900 S901	K893-D897 PolarHBondContact O-N 3.1Å; P894-D897 PolarHBondContact O-N 3.18Å; D897-S900 PolarHBondContact O-N 3.33Å; D897-S900 PolarHBondContact O-OG 3.09Å; D897-S901 PolarHBondContact O-N 3.08Å
898	D	52.7	Low	57.8	Low	101 Å²	101	110.2 Å²	110.2	54%	0.54	57%	0.565	S	S	.	*	H	α-helix	trans	-59.7	-47	171.7	-78.7	-25.6	0	0	0	111.6	P894 S900 S901 H902	P894-D898 WeakPolarHBondContact O-CB 3.4Å; P894-D898 PolarHBondContact O-N 3.13Å; D898-S900 VanDerWaalsContact C-N 3.28Å; D898-S900 PolarHBondContact O-N 3.14Å; D898-S901 PolarHBondContact O-N 3.15Å; D898-S901 VanDerWaalsContact O-N 3.09Å; D898-S901 PolarHBondContact O-OG 3.38Å; D898-H902 PolarHBondContact O-N 3.13Å
899	L	54	Low	56.1	Low	102 Å²	102	113.2 Å²	113.2	53%	0.534	58%	0.578	S	S	.	*	H	α-helix	trans	-62	-36.5	177.7	-155	79.9	0	0	0	111.9	V895 K896 H902 M903	V895-L899 VanDerWaalsContact O-CB 3.25Å; V895-L899 WeakPolarHBondContact O-CB 3.12Å; V895-L899 PolarHBondContact O-N 2.74Å; K896-L899 PolarHBondContact O-N 3.23Å; L899-H902 PolarHBondContact O-N 2.77Å; L899-M903 WeakPolarHBondContact O-CG 3.47Å; L899-M903 PolarHBondContact O-N 2.82Å
900	S	53.7	Low	54.3	Low	67 Å²	67	118.2 Å²	118.2	47%	0.469	60%	0.6	S	S	.	*	H	α-helix	trans	-67.7	-36.3	174.2	79.4	0	0	0	0	112.5	K896 D897 D898 H902 A904	K896-S900 WeakPolarHBondContact O-CB 3.39Å; K896-S900 PolarHBondContact O-N 3.14Å; D897-S900 PolarHBondContact O-N 3.33Å; D897-S900 PolarHBondContact O-OG 3.09Å; D898-S900 VanDerWaalsContact C-N 3.28Å; D898-S900 PolarHBondContact O-N 3.14Å; S900-H902 VanDerWaalsContact C-N 3.35Å; S900-A904 VanDerWaalsContact O-CB 3.27Å; S900-A904 WeakPolarHBondContact O-CB 3.18Å; S900-A904 PolarHBondContact O-N 3.38Å
901	S	51.8	Low	52.4	Low	54 Å²	54	118.6 Å²	118.6	38%	0.378	61%	0.609	S	S	.	*	H	α-helix	trans	-72.9	-27	176.3	81	0	0	0	0	113.2	D897 D898 R905	D897-S901 PolarHBondContact O-N 3.08Å; D898-S901 PolarHBondContact O-N 3.15Å; D898-S901 VanDerWaalsContact O-N 3.09Å; D898-S901 PolarHBondContact O-OG 3.38Å; S901-R905 WeakPolarHBondContact O-CB 3.41Å; S901-R905 PolarHBondContact O-N 3.34Å
902	H	50.6	Low	50.7	Low	116 Å²	116	118.8 Å²	118.8	54%	0.537	62%	0.619	S	S	.	*	H	α-helix	trans	-76.5	-43.3	171.6	-91.6	-78.6	0	0	0	111.8	D898 L899 S900 R905 N906	D898-H902 PolarHBondContact O-N 3.13Å; L899-H902 PolarHBondContact O-N 2.77Å; S900-H902 VanDerWaalsContact C-N 3.35Å; H902-R905 PolarHBondContact O-N 3.42Å; H902-R905 VanDerWaalsContact O-N 3.16Å; H902-N906 PolarHBondContact O-N 3.27Å; H902-N906 PolarHBondContact O-OD1 3.14Å
903	M	52.3	Low	48.8	Very low	121 Å²	121	121 Å²	121	60%	0.596	63%	0.63	S	S	*	*	H	α-helix	trans	-61.1	-48.4	173.4	-75.3	176.8	163.2	0	0	111.4	L899 R905 N906 D907	L899-M903 WeakPolarHBondContact O-CG 3.47Å; L899-M903 PolarHBondContact O-N 2.82Å; M903-R905 PolarHBondContact O-N 3.31Å; M903-N906 PolarHBondContact O-N 3.13Å; M903-D907 PolarHBondContact O-N 3.1Å; M903-D907 VanDerWaalsContact O-N 3.16Å
904	A	50.4	Low	47.4	Very low	61 Å²	61	123.4 Å²	123.4	50%	0.504	64%	0.643	S	S	.	*	H	α-helix	trans	-66.9	-5.4	176.2	0	0	0	0	0	114.9	S900 N908	S900-A904 VanDerWaalsContact O-CB 3.27Å; S900-A904 WeakPolarHBondContact O-CB 3.18Å; S900-A904 PolarHBondContact O-N 3.38Å; A904-N908 PolarHBondContact O-ND2 2.86Å
905	R	48.6	Very low	46.2	Very low	178 Å²	178	128 Å²	128	67%	0.672	66%	0.664	S	S	*	*	H	α-helix	trans	-94.4	-38.4	168.2	-100.3	179.5	160.6	155.6	-4.1	112.7	S901 H902 M903 D907 N908	S901-R905 WeakPolarHBondContact O-CB 3.41Å; S901-R905 PolarHBondContact O-N 3.34Å; H902-R905 PolarHBondContact O-N 3.42Å; H902-R905 VanDerWaalsContact O-N 3.16Å; M903-R905 PolarHBondContact O-N 3.31Å; R905-D907 VanDerWaalsContact C-N 3.3Å; R905-D907 PolarHBondContact O-N 2.68Å; R905-N908 PolarHBondContact O-N 2.8Å
906	N	46.9	Very low	45	Very low	120 Å²	120	128.3 Å²	128.3	64%	0.642	67%	0.67	S	S	*	*	H	α-helix	trans	-69.7	-26.6	178	-75	32.9	0	0	0	112.6	H902 M903 N908	H902-N906 PolarHBondContact O-N 3.27Å; H902-N906 PolarHBondContact O-OD1 3.14Å; M903-N906 PolarHBondContact O-N 3.13Å; N906-N908 PolarHBondContact O-N 2.93Å; N906-N908 VanDerWaalsContact O-N 3.11Å
907	D	49.1	Very low	44	Very low	138 Å²	138	128.7 Å²	128.7	74%	0.738	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	10	176.9	-66.7	-28	0	0	0	114.5	M903 R905	M903-D907 PolarHBondContact O-N 3.1Å; M903-D907 VanDerWaalsContact O-N 3.16Å; R905-D907 VanDerWaalsContact C-N 3.3Å; R905-D907 PolarHBondContact O-N 2.68Å
908	N	46.7	Very low	43	Very low	129 Å²	129	137.8 Å²	137.8	69%	0.69	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.2	-7	-176.6	-78	-69.8	0	0	0	115.8	A904 R905 N906	A904-N908 PolarHBondContact O-ND2 2.86Å; R905-N908 PolarHBondContact O-N 2.8Å; N906-N908 PolarHBondContact O-N 2.93Å; N906-N908 VanDerWaalsContact O-N 3.11Å
909	D	44.8	Very low	42.5	Very low	141 Å²	141	139.7 Å²	139.7	75%	0.754	71%	0.711	S	S	*	*			trans	-129.3	55.7	-172	-76.4	-47.5	0	0	0	112
910	D	38.8	Very low	41.9	Very low	160 Å²	160	141.6 Å²	141.6	86%	0.856	72%	0.72	S	S	*	*	S	Bend	trans	-139.9	92.2	167.2	-102.9	-38.4	0	0	0	110.7
911	D	36.8	Very low	41.3	Very low	145 Å²	145	145.8 Å²	145.8	78%	0.775	73%	0.734	S	S	*	*			trans	6.9	123.9	172.6	-67.9	-27.4	0	0	0	122.5	L913	D911-L913 PolarHBondContact O-N 3.12Å
912	E	35.7	Very low	40.6	Very low	201 Å²	201	151.2 Å²	151.2	94%	0.939	76%	0.755	S	S	*	*			trans	-68.1	117.4	141.4	-75.9	-173.4	127.6	0	0	109.9
913	L	31.5	Very low	40	Very low	158 Å²	158	153.4 Å²	153.4	83%	0.827	77%	0.769	S	S	*	*			trans	-145.4	117.2	157.8	-117	168.6	0	0	0	110.8	D911	D911-L913 PolarHBondContact O-N 3.12Å
914	E	34.7	Very low	39.2	Very low	181 Å²	181	155.5 Å²	155.5	85%	0.846	78%	0.781	S	S	*	*			trans	-64	146.6	-176.9	-54.1	176.1	112.3	0	0	112.6
915	L	30	Very low	38.4	Very low	160 Å²	160	162.3 Å²	162.3	84%	0.838	80%	0.8	S	S	*	*				-169.4	112.9	128.5	-105.3	157.1	0	0	0	114.7
916	S	27.8	Very low	37.6	Very low	98 Å²	98	161.1 Å²	161.1	69%	0.685	81%	0.81	S	S	*	*			trans	64.2	132.5	141.8	60.5	0	0	0	0	123.6
917	E	34.1	Very low	36.8	Very low	170 Å²	170	164.5 Å²	164.5	79%	0.794	82%	0.824	S	S	*	*			trans	92	122.3	144.7	-79	-172.4	-178.3	0	0	122
918	Y	32.2	Very low	35.7	Very low	293 Å²	293	166.9 Å²	166.9	100%	1.149	83%	0.832	S	S	*	*			trans	70.2	0	171	-68.1	-79.4	0	0	0	119.8

Retrieved 918 of 918 residues in 3948.4 ms (Link to these results)

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