A0A087Y778_POEFO Loading...

26S proteasome non-ATPase regulatory subunit 2

Binds to the intracellular domain of tumor necrosis factor type 1 receptor. The binding domain of TRAP1 and TRAP2 resides outside the death domain of TNFR1. Component of the 26S proteasome, a multiprotein complex involved in the ATP-dependent degradation of ubiquitinated proteins. This complex plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins, which could impair cellular functions, and by removing proteins whose functions are no longer required. Therefore, the proteasome participates in numerous cellular processes, including cell cycle progression, apoptosis, or DNA damage repair.

AlphaFold DB , UniProt , Accession A0A087Y778, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 906 aa.

						>A0A087Y778_POEFO|A0A087Y778
MEEAKKKDNKPTEKGGEKDKDKEKGQQSPGKEKEKKEEQELSEEDKQLQEDLEMMVERLSEKNASLHHQALEELRRQIRSSTTSMTSVPKPLKFLRPHYGKLKEIYEGMTPGENKRFCADVVSVLAMTMSGERECLKYRLVGSQEELASWGHEYVRHLAGEVAKEWQEVEENDKAQQDTLLKLVKEIVPYNMAHNAEHEACDLLMEIERLDMLGDYIDENAYGKVCLYLTSCVSYVPEPENSALLRCALNIFRKFNRYPEALRLALMLNDMELVENIFTSCKDIVIQKQMAFMLGRHGVFLELNEDVEDYEDLTEIMSNVQLNSNFLALARELDIMEPKVPDDIYKTHLENNRFGGSGSQVDSARMNLASSFVNGFVNAAFGQDKLLTDDGNKWLYKNKDHGMLSAAASLGMILLWDVDGGLTQIDKYLYSSEDYIKSGALLACGIVNSGVRNECDPALALLSDYVLHNSNIMRIGAIFGLGLAYAGSNREDVLSLLLPVMGDSKSSMEVVGVTALACGMIAVGSCNGDVTSTIVQTIMEKNEQELKDTYARWLPLGLGLNHLGKGEAIETTLAALQVVPEPFRSFANTLVDICAYAGSGNVLKVQQLLHICSEHYEAKDKDKDEDKDKKDKKDKDKKETPADMGSHQGVAVLGIALIAMGEEIGSEMALRTFGHLLRYGEPTLRRAVPLALALISASNPRLNILDTLSKFSHDADPEVSHNSIFAMGMVGSGTNNARLAAMLRQLAQYHAKDPNNLFMVRLAQGLTHLGKGTLTLCPYHSDRQLMSQVAVAGLLTVLVSFLDVKNIILGKSHYILYGLVAAMQPRMLVTFDEELRPLPVSVRVGQAVDVVGQAGKPKAITGFQTHTTPVLLAHGERAELATEEYLPVTPILEGFVILRKNPNYET
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	28.6	Very low	234 Å²	234	163.7 Å²	163.7	100%	1.153	81%	0.807	S	S	*	*				0	78.4	0	-76.1	172.6	171.5	0	0	105.4
2	E	31.8	Very low	28	Very low	168 Å²	168	160.4 Å²	160.4	79%	0.785	80%	0.803	S	S	*	*				76.3	95.8	105.8	-87.7	-178.3	148.1	0	0	110
3	E	27.3	Very low	27.5	Very low	183 Å²	183	159.8 Å²	159.8	86%	0.855	80%	0.796	S	S	*	*				84.1	132.2	102.9	-81.4	-160	153.7	0	0	111.4
4	A	29.3	Very low	27.3	Very low	78 Å²	78	161.9 Å²	161.9	65%	0.645	80%	0.798	S	S	*	*			cis	-164.7	152	2.7	0	0	0	0	0	110.3
5	K	28.8	Very low	27	Very low	193 Å²	193	156.6 Å²	156.6	84%	0.839	80%	0.802	S	S	*	*			trans	46.1	143.5	137.3	-70	175.5	-179.1	171.6	0	120.5
6	K	30.3	Very low	26.7	Very low	193 Å²	193	151.3 Å²	151.3	84%	0.839	80%	0.798	S	S	*	*			cis	169.8	145.1	-11.2	-121.4	-176.4	-179.3	-175.8	0	104.5
7	K	26	Very low	26.7	Very low	193 Å²	193	152.8 Å²	152.8	84%	0.839	80%	0.8	S	S	*	*			trans	153.5	140.4	156.3	-90.2	-170.5	179.3	-177.9	0	107.5
8	D	24.8	Very low	26.8	Very low	124 Å²	124	154 Å²	154	66%	0.663	80%	0.797	S	S	*	*			cis	-167.1	150.4	-2	-116.5	-35.2	0	0	0	106.8
9	N	24.7	Very low	26.8	Very low	137 Å²	137	151.8 Å²	151.8	73%	0.733	79%	0.787	S	S	*	*			trans	73.1	120.7	150.4	-82.5	-27.7	0	0	0	124.5
10	K	26.7	Very low	26.8	Very low	190 Å²	190	153.1 Å²	153.1	83%	0.826	79%	0.786	S	S	*	*			trans	74.7	154.9	147.9	-75.3	-175.9	177.7	-177.4	0	117
11	P	31	Very low	26.7	Very low	108 Å²	108	152.4 Å²	152.4	70%	0.701	78%	0.784	S	S	*	*			cis	-139.2	-175.8	-9.2	32.1	-8.4	0	0	0	114
12	T	20.8	Very low	26.4	Very low	124 Å²	124	150.1 Å²	150.1	76%	0.761	77%	0.768	S	S	*	*			trans	29.3	126.9	146.7	52.2	0	0	0	0	122.5
13	E	21.8	Very low	26	Very low	152 Å²	152	149.1 Å²	149.1	71%	0.71	76%	0.763	S	S	*	*			trans	58.3	113.2	141.8	-71	-157	124.4	0	0	122.3
14	K	24.7	Very low	25.9	Very low	189 Å²	189	149.2 Å²	149.2	82%	0.822	76%	0.761	S	S	*	*				60.2	129.2	126.5	-70.7	177.4	-176.1	143.1	0	120.8
15	G	22.5	Very low	25.8	Very low	83 Å²	83	149.2 Å²	149.2	86%	0.856	77%	0.769	S	S	*	*			trans	143.2	119.6	150.9	0	0	0	0	0	110.4
16	G	23.2	Very low	25.6	Very low	72 Å²	72	149.3 Å²	149.3	74%	0.742	77%	0.772	S	S	*	*			cis	168.8	151.3	2.8	0	0	0	0	0	109
17	E	26.7	Very low	25.3	Very low	177 Å²	177	149.7 Å²	149.7	83%	0.827	78%	0.777	S	S	*	*	S	Bend	trans	-133.9	101.9	140.7	-91.6	-172.6	142.8	0	0	104.4
18	K	27.7	Very low	25.3	Very low	174 Å²	174	145.7 Å²	145.7	76%	0.757	77%	0.773	S	S	*	*				69.9	127.4	98	-75.9	-176.1	-179.4	173.6	0	111.5
19	D	27.3	Very low	25.5	Very low	112 Å²	112	145.8 Å²	145.8	60%	0.599	78%	0.781	S	S	*	*			cis	-166.3	139.4	10.4	-117.9	-51.2	0	0	0	107.2
20	K	26.3	Very low	25.6	Very low	177 Å²	177	143 Å²	143	77%	0.77	78%	0.784	S	S	*	*			trans	50.1	141.5	138.3	-69.4	174.7	-174.3	176.4	0	121.1
21	D	25.5	Very low	25.7	Very low	139 Å²	139	143.4 Å²	143.4	74%	0.743	79%	0.786	S	S	*	*			cis	-178.4	142.9	-8.3	-126	-32.9	0	0	0	106.1
22	K	26.8	Very low	25.6	Very low	186 Å²	186	147.2 Å²	147.2	81%	0.809	79%	0.794	S	S	*	*			trans	144.2	98.5	139.2	-79.8	-174.6	177.9	-177.8	0	115.2
23	E	25	Very low	25.9	Very low	148 Å²	148	151.5 Å²	151.5	69%	0.692	80%	0.802	S	S	*	*			trans	61.7	112.4	131.2	-72.7	-167.2	115.1	0	0	122.1
24	K	24.1	Very low	26.2	Very low	184 Å²	184	153.2 Å²	153.2	80%	0.8	81%	0.811	S	S	*	*			trans	82.1	85.3	136	-67	179.2	-176.9	167.7	0	117.8
25	G	27.3	Very low	26.4	Very low	79 Å²	79	152.5 Å²	152.5	81%	0.814	81%	0.807	S	S	*	*				88.3	78.1	108.7	0	0	0	0	0	116.2
26	Q	25	Very low	26.7	Very low	195 Å²	195	158.3 Å²	158.3	91%	0.911	81%	0.809	S	S	*	*			trans	-145.7	123.8	161.3	-113.7	170.6	0.7	0	0	111
27	Q	24.6	Very low	26.9	Very low	201 Å²	201	164.1 Å²	164.1	94%	0.939	82%	0.817	S	S	*	*			trans	-59	140.8	163.2	-74.4	166.1	-30	0	0	110.6
28	S	24.6	Very low	27.3	Very low	109 Å²	109	163.5 Å²	163.5	76%	0.762	81%	0.814	S	S	*	*			trans	-155.1	166.6	149.1	58.7	0	0	0	0	106.2
29	P	29.3	Very low	27.9	Very low	126 Å²	126	163.8 Å²	163.8	82%	0.818	82%	0.818	S	S	*	*			cis	-135.2	152.8	-6.8	29.5	-9.1	0	0	0	112.5
30	G	26.2	Very low	28.1	Very low	79 Å²	79	167.7 Å²	167.7	81%	0.814	83%	0.833	S	S	*	*	S	Bend	trans	166.2	31.4	169.6	0	0	0	0	0	117.6
31	K	29	Very low	28.9	Very low	198 Å²	198	162.5 Å²	162.5	86%	0.861	81%	0.813	S	S	*	*	S	Bend	trans	-142.6	25.4	179.5	-116.9	-178	-175.4	-178.5	0	115.6
32	E	28.6	Very low	30.1	Very low	187 Å²	187	158.7 Å²	158.7	87%	0.874	80%	0.797	S	S	*	*	S	Bend	trans	-123.9	24.5	-178.5	-76	-166.7	154	0	0	115.2
33	K	27.8	Very low	31.3	Very low	214 Å²	214	157.7 Å²	157.7	93%	0.93	80%	0.796	S	S	*	*	S	Bend	trans	-116.5	9.1	171.3	-91.4	-172.4	175	-176.1	0	116.8
34	E	29.1	Very low	32.8	Very low	189 Å²	189	157.9 Å²	157.9	88%	0.883	80%	0.796	S	S	*	*	S	Bend	trans	-115	3.9	171.3	-79.3	-178.7	160.3	0	0	114.2
35	K	28	Very low	34.3	Very low	173 Å²	173	150.6 Å²	150.6	75%	0.752	77%	0.766	S	S	*	*	S	Bend	trans	-101.4	23.1	-178.1	-84.3	-170.2	172.6	-173.6	0	115.5
36	K	27.9	Very low	35.8	Very low	205 Å²	205	152.3 Å²	152.3	89%	0.891	75%	0.751	S	S	*	*	S	Bend	trans	-126.9	16.3	179.8	-84.8	-170.1	175.8	-177.9	0	116.1
37	E	27.9	Very low	37.6	Very low	194 Å²	194	148.6 Å²	148.6	91%	0.907	73%	0.734	S	S	*	*	S	Bend	trans	-115.5	12.7	165.4	-76	-174.3	168.3	0	0	113.2
38	E	34.8	Very low	39.4	Very low	165 Å²	165	141 Å²	141	77%	0.771	70%	0.7	S	S	*	*			trans	-98	78.3	165.5	-74	-174.7	156.3	0	0	109.4
39	Q	40	Very low	41.1	Very low	180 Å²	180	138.8 Å²	138.8	84%	0.841	68%	0.677	S	S	*	*			trans	172	63.7	152.5	-97.9	169.6	7.2	0	0	112
40	E	32.5	Very low	43	Very low	194 Å²	194	138.7 Å²	138.7	91%	0.907	67%	0.666	S	S	*	*			trans	-131.3	79.2	137.6	-74.1	-167.2	167.3	0	0	106.5	S42	E40-S42 PolarHBondContact O-N 3.31Å
41	L	42.6	Very low	44.9	Very low	67 Å²	67	138 Å²	138	35%	0.351	64%	0.643	S	S	.	*			trans	-58.2	120	162.6	-113.2	90.6	0	0	0	106.5	D45 K46 F94	L41-D45 HydrophobicContact CB-CB 4.49Å; L41-D45 HydrophobicContact CD2-CB 3.94Å; L41-D45 HydrophobicContact CG-CB 3.99Å; L41-K46 HydrophobicContact CB-CG 4.03Å; L41-K46 HydrophobicContact CD2-CB 4.48Å; L41-K46 HydrophobicContact CD2-CG 3.63Å; L41-K46 HydrophobicContact CG-CG 4.49Å; L41-F94 HydrophobicContact CD2-CZ 4.2Å
42	S	50.8	Low	46.6	Very low	60 Å²	60	128.8 Å²	128.8	42%	0.42	60%	0.604	S	S	.	*			trans	-50.9	145.5	167.7	-172.7	0	0	0	0	109.4	E40 E44 D45 K46	E40-S42 PolarHBondContact O-N 3.31Å; S42-E44 PolarHBondContact O-N 3.19Å; S42-E44 VanDerWaalsContact O-N 3.13Å; S42-D45 WeakPolarHBondContact O-CB 3.11Å; S42-D45 PolarHBondContact O-N 3.28Å; S42-K46 PolarHBondContact O-N 3.2Å
43	E	52	Low	48.5	Very low	165 Å²	165	123.4 Å²	123.4	77%	0.771	58%	0.578	S	S	*	*	H	α-helix	trans	-55.2	-31	175.7	-70.3	-168.6	153.2	0	0	111.5	K46 Q47	E43-K46 PolarHBondContact O-N 3.09Å; E43-Q47 VanDerWaalsContact O-CB 3.29Å; E43-Q47 WeakPolarHBondContact O-CB 3.29Å; E43-Q47 PolarHBondContact O-N 2.85Å
44	E	56	Low	50.4	Low	151 Å²	151	117 Å²	117	71%	0.706	55%	0.553	S	S	*	*	H	α-helix	trans	-65.1	-36	172.4	-64.5	-177.8	155.5	0	0	113.3	S42 L48	S42-E44 PolarHBondContact O-N 3.19Å; S42-E44 VanDerWaalsContact O-N 3.13Å; E44-L48 VanDerWaalsContact O-CB 3.27Å; E44-L48 WeakPolarHBondContact O-CB 3.43Å; E44-L48 PolarHBondContact O-N 3.25Å
45	D	55.5	Low	52.1	Low	32 Å²	32	108.4 Å²	108.4	17%	0.171	51%	0.513	C	S	.	.	H	α-helix	trans	-74.2	-32.7	178.8	-79.4	-18.5	0	0	0	111.1	L41 S42 Q49 K90	L41-D45 HydrophobicContact CB-CB 4.49Å; L41-D45 HydrophobicContact CD2-CB 3.94Å; L41-D45 HydrophobicContact CG-CB 3.99Å; S42-D45 WeakPolarHBondContact O-CB 3.11Å; S42-D45 PolarHBondContact O-N 3.28Å; D45-Q49 PolarHBondContact O-N 2.95Å; D45-Q49 VanDerWaalsContact O-N 3.08Å; D45-K90 IonicContact OD1-NZ 2.7Å; D45-K90 IonicContact OD2-NZ 3.56Å; D45-K90 PolarHBondContact OD2-NZ 3.31Å
46	K	59.1	Low	53.7	Low	114 Å²	114	100.3 Å²	100.3	50%	0.496	48%	0.478	S	S	.	.	H	α-helix	trans	-70.9	-41.8	172.6	-74.9	-179.9	-177	170	0	111.6	L41 S42 E43 L48 Q49 E50	L41-K46 HydrophobicContact CB-CG 4.03Å; L41-K46 HydrophobicContact CD2-CB 4.48Å; L41-K46 HydrophobicContact CD2-CG 3.63Å; L41-K46 HydrophobicContact CG-CG 4.49Å; S42-K46 PolarHBondContact O-N 3.2Å; E43-K46 PolarHBondContact O-N 3.09Å; K46-L48 VanDerWaalsContact C-N 3.31Å; K46-Q49 PolarHBondContact O-N 3.39Å; K46-E50 WeakPolarHBondContact O-CG 3.34Å; K46-E50 PolarHBondContact O-N 3.04Å
47	Q	62.7	Low	55.6	Low	118 Å²	118	96.9 Å²	96.9	55%	0.551	47%	0.465	S	S	*	.	H	α-helix	trans	-66	-37.4	177.8	-161.2	157.7	14	0	0	111.2	E43 E50 D51	E43-Q47 VanDerWaalsContact O-CB 3.29Å; E43-Q47 WeakPolarHBondContact O-CB 3.29Å; E43-Q47 PolarHBondContact O-N 2.85Å; Q47-E50 PolarHBondContact O-N 3.39Å; Q47-D51 VanDerWaalsContact O-CB 3.3Å; Q47-D51 WeakPolarHBondContact O-CB 3.46Å; Q47-D51 VanDerWaalsContact O-CG 3.24Å; Q47-D51 PolarHBondContact O-N 3.39Å
48	L	62.7	Low	57.3	Low	42 Å²	42	92.8 Å²	92.8	22%	0.22	44%	0.441	C	S	.	.	H	α-helix	trans	-64.3	-39.7	171.2	-163.9	99.8	0	0	0	112.2	E44 K46 L52 P91	E44-L48 VanDerWaalsContact O-CB 3.27Å; E44-L48 WeakPolarHBondContact O-CB 3.43Å; E44-L48 PolarHBondContact O-N 3.25Å; K46-L48 VanDerWaalsContact C-N 3.31Å; L48-L52 HydrophobicContact CD2-CD1 4.08Å; L48-L52 HydrophobicContact CG-CD1 4.23Å; L48-L52 VanDerWaalsContact O-CB 3.31Å; L48-L52 WeakPolarHBondContact O-CB 3.44Å; L48-L52 WeakPolarHBondContact O-CD1 3.31Å; L48-L52 WeakPolarHBondContact O-CG 3.25Å; L48-L52 PolarHBondContact O-N 3.48Å; L48-P91 HydrophobicContact CD2-CG 4.08Å
49	Q	61.4	Low	58.4	Low	61 Å²	61	85 Å²	85	29%	0.285	41%	0.405	S	S	.	.	H	α-helix	trans	-65.4	-44.7	175.3	-173.1	-178.8	-12.5	0	0	111.5	D45 K46 L52 E53 F94	D45-Q49 PolarHBondContact O-N 2.95Å; D45-Q49 VanDerWaalsContact O-N 3.08Å; K46-Q49 PolarHBondContact O-N 3.39Å; Q49-L52 PolarHBondContact O-N 3.01Å; Q49-E53 PolarHBondContact NE2-OE1 3.45Å; Q49-E53 WeakPolarHBondContact O-CB 3.41Å; Q49-E53 WeakPolarHBondContact O-CG 3.04Å; Q49-E53 PolarHBondContact O-N 3.22Å; Q49-F94 HydrophobicContact CB-CG 4.46Å; Q49-F94 HydrophobicContact CG-CB 4.43Å; Q49-F94 HydrophobicContact CG-CD1 4.34Å; Q49-F94 HydrophobicContact CG-CG 4.35Å
50	E	68.6	Low	59.1	Low	124 Å²	124	80.5 Å²	80.5	58%	0.579	39%	0.394	S	S	*	.	H	α-helix	trans	-64.5	-40.1	176.6	-73.3	177.8	179.9	0	0	112.1	K46 Q47 E53 M54	K46-E50 WeakPolarHBondContact O-CG 3.34Å; K46-E50 PolarHBondContact O-N 3.04Å; Q47-E50 PolarHBondContact O-N 3.39Å; E50-E53 PolarHBondContact O-N 2.96Å; E50-M54 VanDerWaalsContact O-CB 3.27Å; E50-M54 WeakPolarHBondContact O-CB 3.44Å; E50-M54 PolarHBondContact O-N 3.03Å
51	D	66.4	Low	60.6	Low	64 Å²	64	76.4 Å²	76.4	34%	0.342	37%	0.374	S	S	.	.	H	α-helix	trans	-64.8	-44.1	174.5	-76.7	-17.2	0	0	0	111	Q47 M54 M55	Q47-D51 VanDerWaalsContact O-CB 3.3Å; Q47-D51 WeakPolarHBondContact O-CB 3.46Å; Q47-D51 VanDerWaalsContact O-CG 3.24Å; Q47-D51 PolarHBondContact O-N 3.39Å; D51-M54 PolarHBondContact O-N 3.5Å; D51-M55 WeakPolarHBondContact O-CB 3.45Å; D51-M55 WeakPolarHBondContact O-CG 3.47Å; D51-M55 PolarHBondContact O-N 3.02Å
52	L	64.6	Low	60.8	Low	5 Å²	5	83.1 Å²	83.1	3%	0.026	40%	0.401	C	S	.	.	H	α-helix	trans	-64.7	-41.1	176.4	-72.3	171	0	0	0	112.1	L48 Q49 M55 V56 L74 P91 F94 L95	L48-L52 HydrophobicContact CD2-CD1 4.08Å; L48-L52 HydrophobicContact CG-CD1 4.23Å; L48-L52 VanDerWaalsContact O-CB 3.31Å; L48-L52 WeakPolarHBondContact O-CB 3.44Å; L48-L52 WeakPolarHBondContact O-CD1 3.31Å; L48-L52 WeakPolarHBondContact O-CG 3.25Å; L48-L52 PolarHBondContact O-N 3.48Å; Q49-L52 PolarHBondContact O-N 3.01Å; L52-M55 PolarHBondContact O-N 2.97Å; L52-V56 WeakPolarHBondContact O-CG2 3.44Å; L52-V56 PolarHBondContact O-N 3.01Å; L52-L74 HydrophobicContact CD2-CD1 3.48Å; L52-L74 VanDerWaalsContact CD2-CD1 3.48Å; L52-P91 HydrophobicContact CD1-CB 4.16Å; L52-F94 HydrophobicContact CD1-CB 4.37Å; L52-L95 HydrophobicContact CD1-CD1 4.45Å; L52-L95 HydrophobicContact CD1-CG 4.45Å; L52-L95 HydrophobicContact CD2-CD1 4.1Å; L52-L95 HydrophobicContact CD2-CG 4.44Å
53	E	67.1	Low	60.8	Low	74 Å²	74	84.8 Å²	84.8	35%	0.346	41%	0.405	S	S	.	.	H	α-helix	trans	-64.8	-44.1	175.6	-77.2	178	-164.6	0	0	111.4	Q49 E50 M55 V56 E57	Q49-E53 PolarHBondContact NE2-OE1 3.45Å; Q49-E53 WeakPolarHBondContact O-CB 3.41Å; Q49-E53 WeakPolarHBondContact O-CG 3.04Å; Q49-E53 PolarHBondContact O-N 3.22Å; E50-E53 PolarHBondContact O-N 2.96Å; E53-M55 VanDerWaalsContact C-N 3.25Å; E53-M55 PolarHBondContact O-N 3.25Å; E53-V56 PolarHBondContact O-N 2.94Å; E53-E57 WeakPolarHBondContact O-CG 3.43Å; E53-E57 PolarHBondContact O-N 3.36Å
54	M	69.3	Low	60.9	Low	81 Å²	81	80.3 Å²	80.3	40%	0.399	40%	0.396	S	S	.	.	H	α-helix	trans	-60.1	-36.8	175.3	-169.3	-168.1	-52.3	0	0	111.7	E50 D51 E57 R58	E50-M54 VanDerWaalsContact O-CB 3.27Å; E50-M54 WeakPolarHBondContact O-CB 3.44Å; E50-M54 PolarHBondContact O-N 3.03Å; D51-M54 PolarHBondContact O-N 3.5Å; M54-E57 PolarHBondContact O-N 3.31Å; M54-R58 WeakPolarHBondContact O-CB 3.3Å; M54-R58 VanDerWaalsContact O-CG 3.24Å; M54-R58 WeakPolarHBondContact O-CG 3.24Å; M54-R58 PolarHBondContact O-N 3Å; M54-R58 VanDerWaalsContact SD-CZ 3.59Å; M54-R58 PolarHBondContact SD-NH2 3.43Å
55	M	63.7	Low	60.6	Low	7 Å²	7	77.5 Å²	77.5	3%	0.034	39%	0.393	C	S	.	.	H	α-helix	trans	-73.3	-36.8	179.6	-67.4	-67.8	-98.3	0	0	112.3	D51 L52 E53 R58 L59 A70 E73 L74	D51-M55 WeakPolarHBondContact O-CB 3.45Å; D51-M55 WeakPolarHBondContact O-CG 3.47Å; D51-M55 PolarHBondContact O-N 3.02Å; L52-M55 PolarHBondContact O-N 2.97Å; E53-M55 VanDerWaalsContact C-N 3.25Å; E53-M55 PolarHBondContact O-N 3.25Å; M55-R58 PolarHBondContact O-N 3.27Å; M55-L59 WeakPolarHBondContact O-CD1 3.24Å; M55-L59 WeakPolarHBondContact O-CG 3.43Å; M55-L59 PolarHBondContact O-N 2.95Å; M55-A70 HydrophobicContact CE-CB 4.15Å; M55-A70 WeakPolarHBondContact CE-O 3.11Å; M55-A70 HydrophobicContact SD-CB 4.24Å; M55-E73 HydrophobicContact CE-CB 3.38Å; M55-E73 HydrophobicContact CE-CG 4.3Å; M55-E73 WeakPolarHBondContact CE-OE2 3.12Å; M55-L74 HydrophobicContact CB-CD1 4.46Å
56	V	62.7	Low	60.8	Low	4 Å²	4	79.5 Å²	79.5	2%	0.024	40%	0.404	C	S	.	.	H	α-helix	trans	-69	-35	172.1	177.2	0	0	0	0	111.8	L52 E53 L59 S60 L95 H98 L102	L52-V56 WeakPolarHBondContact O-CG2 3.44Å; L52-V56 PolarHBondContact O-N 3.01Å; E53-V56 PolarHBondContact O-N 2.94Å; V56-L59 WeakPolarHBondContact O-CB 3.27Å; V56-L59 PolarHBondContact O-N 3.36Å; V56-S60 PolarHBondContact O-N 3.43Å; V56-L95 HydrophobicContact CG2-CD2 3.97Å; V56-H98 HydrophobicContact CG1-CB 4.02Å; V56-H98 WeakPolarHBondContact CG1-ND1 3.31Å; V56-H98 HydrophobicContact CG2-CB 4.15Å; V56-L102 HydrophobicContact CG2-CD1 4.49Å
57	E	67.1	Low	60.7	Low	132 Å²	132	74.8 Å²	74.8	62%	0.617	38%	0.383	S	S	*	.	H	α-helix	trans	-68.2	-40.7	172.9	-74.1	-169.6	161.3	0	0	112.3	E53 M54 L59 S60 E61	E53-E57 WeakPolarHBondContact O-CG 3.43Å; E53-E57 PolarHBondContact O-N 3.36Å; M54-E57 PolarHBondContact O-N 3.31Å; E57-L59 PolarHBondContact O-N 3.25Å; E57-S60 WeakPolarHBondContact O-CA 3.47Å; E57-S60 VanDerWaalsContact O-CB 3.22Å; E57-S60 WeakPolarHBondContact O-CB 3.27Å; E57-S60 PolarHBondContact O-N 3.02Å; E57-E61 PolarHBondContact O-N 3.21Å
58	R	62.9	Low	60.4	Low	108 Å²	108	72.4 Å²	72.4	41%	0.408	37%	0.372	S	S	.	.	H	α-helix	trans	-61.5	-30	171.1	-75.1	172.2	-179.9	-179.4	2.6	112.5	M54 M55 S60 E61	M54-R58 WeakPolarHBondContact O-CB 3.3Å; M54-R58 VanDerWaalsContact O-CG 3.24Å; M54-R58 WeakPolarHBondContact O-CG 3.24Å; M54-R58 PolarHBondContact O-N 3Å; M54-R58 VanDerWaalsContact SD-CZ 3.59Å; M54-R58 PolarHBondContact SD-NH2 3.43Å; M55-R58 PolarHBondContact O-N 3.27Å; R58-S60 VanDerWaalsContact C-N 3.26Å; R58-S60 PolarHBondContact O-N 3.29Å; R58-E61 PolarHBondContact O-N 3.18Å
59	L	58.8	Low	60.3	Low	1 Å²	1	75.9 Å²	75.9	1%	0.005	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.3	171.6	-81.8	154.7	0	0	0	113.7	M55 V56 E57 H67 A70 L71 L102 I105	M55-L59 WeakPolarHBondContact O-CD1 3.24Å; M55-L59 WeakPolarHBondContact O-CG 3.43Å; M55-L59 PolarHBondContact O-N 2.95Å; V56-L59 WeakPolarHBondContact O-CB 3.27Å; V56-L59 PolarHBondContact O-N 3.36Å; E57-L59 PolarHBondContact O-N 3.25Å; L59-H67 HydrophobicContact CD2-CB 4.15Å; L59-H67 PolarHBondContact O-CE1 2.88Å; L59-H67 PolarHBondContact O-ND1 3.41Å; L59-A70 HydrophobicContact CG-CB 4.3Å; L59-L71 HydrophobicContact CD1-CD2 4.33Å; L59-L71 HydrophobicContact CD2-CD1 4.31Å; L59-L71 HydrophobicContact CD2-CD2 3.96Å; L59-L71 HydrophobicContact CD2-CG 3.91Å; L59-L102 HydrophobicContact CD1-CD2 4.4Å; L59-I105 HydrophobicContact CB-CD1 4.24Å
60	S	54.6	Low	60.5	Low	87 Å²	87	73.1 Å²	73.1	61%	0.608	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-16.5	174.2	-168.6	0	0	0	0	112.7	V56 E57 R58	V56-S60 PolarHBondContact O-N 3.43Å; E57-S60 WeakPolarHBondContact O-CA 3.47Å; E57-S60 VanDerWaalsContact O-CB 3.22Å; E57-S60 WeakPolarHBondContact O-CB 3.27Å; E57-S60 PolarHBondContact O-N 3.02Å; R58-S60 VanDerWaalsContact C-N 3.26Å; R58-S60 PolarHBondContact O-N 3.29Å
61	E	64.3	Low	60.3	Low	108 Å²	108	67.5 Å²	67.5	51%	0.505	35%	0.349	S	S	.	.	S	Bend	trans	-76.9	143.3	177.6	-67.3	-173.5	163.5	0	0	111.9	E57 R58 N63 H67	E57-E61 PolarHBondContact O-N 3.21Å; R58-E61 PolarHBondContact O-N 3.18Å; E61-N63 PolarHBondContact O-N 2.8Å; E61-H67 PolarHBondContact O-CE1 2.87Å; E61-H67 PolarHBondContact O-NE2 3.47Å
62	K	46.8	Very low	60.3	Low	207 Å²	207	69.7 Å²	69.7	90%	0.9	36%	0.357	S	S	*	.	S	Bend	trans	-71.2	12.5	-167	-64.2	-178.9	177	179.3	0	116.7
63	N	49.9	Very low	60.5	Low	96 Å²	96	74.2 Å²	74.2	51%	0.513	38%	0.378	S	S	.	.			trans	-102	104	-168.5	-79	-31.2	0	0	0	113.2	E61 S65 L66 H67	E61-N63 PolarHBondContact O-N 2.8Å; N63-S65 PolarHBondContact O-N 3.46Å; N63-L66 HydrophobicContact CB-CB 4.42Å; N63-L66 HydrophobicContact CB-CD1 3.87Å; N63-L66 PolarHBondContact O-N 2.9Å; N63-H67 VanDerWaalsContact C-CD2 3.44Å; N63-H67 PolarHBondContact O-CD2 2.99Å; N63-H67 PolarHBondContact O-N 2.91Å
64	A	55.3	Low	60.5	Low	70 Å²	70	70.7 Å²	70.7	58%	0.579	36%	0.361	S	S	*	.	H	α-helix	trans	-46.5	-30.2	178.9	0	0	0	0	0	116.2	N114	A64-N114 PolarHBondContact O-ND2 3.41Å
65	S	50	Low	60.2	Low	93 Å²	93	68.1 Å²	68.1	65%	0.65	35%	0.347	S	S	*	.	H	α-helix	trans	-83.9	-24.5	-178.2	-172.2	0	0	0	0	114.2	N63	N63-S65 PolarHBondContact O-N 3.46Å
66	L	58.2	Low	60.5	Low	74 Å²	74	77.1 Å²	77.1	39%	0.387	38%	0.381	S	S	.	.	H	α-helix	trans	-87.2	-27.7	-178.4	-77.6	158.9	0	0	0	111.5	N63 H68 A70	N63-L66 HydrophobicContact CB-CB 4.42Å; N63-L66 HydrophobicContact CB-CD1 3.87Å; N63-L66 PolarHBondContact O-N 2.9Å; L66-H68 VanDerWaalsContact C-N 3.28Å; L66-H68 PolarHBondContact O-N 2.97Å; L66-A70 VanDerWaalsContact O-CB 3.31Å; L66-A70 WeakPolarHBondContact O-CB 3.41Å; L66-A70 PolarHBondContact O-N 2.94Å
67	H	57.7	Low	60.7	Low	14 Å²	14	79.4 Å²	79.4	7%	0.065	39%	0.391	C	S	.	.	H	α-helix	trans	-61.5	-36.6	173.3	-58.8	-76.5	0	0	0	112.3	L59 E61 N63 A70 L71 M109	L59-H67 HydrophobicContact CD2-CB 4.15Å; L59-H67 PolarHBondContact O-CE1 2.88Å; L59-H67 PolarHBondContact O-ND1 3.41Å; E61-H67 PolarHBondContact O-CE1 2.87Å; E61-H67 PolarHBondContact O-NE2 3.47Å; N63-H67 VanDerWaalsContact C-CD2 3.44Å; N63-H67 PolarHBondContact O-CD2 2.99Å; N63-H67 PolarHBondContact O-N 2.91Å; H67-A70 PolarHBondContact O-N 2.84Å; H67-L71 WeakPolarHBondContact O-CB 3.07Å; H67-L71 VanDerWaalsContact O-CD1 3.22Å; H67-L71 WeakPolarHBondContact O-CD1 3.31Å; H67-L71 WeakPolarHBondContact O-CG 3.45Å; H67-L71 PolarHBondContact O-N 2.87Å; H67-M109 HydrophobicContact CB-CE 3.63Å; H67-M109 WeakPolarHBondContact CD2-CE 3.28Å; H67-M109 VanDerWaalsContact CG-CE 3.47Å
68	H	57	Low	60.6	Low	68 Å²	68	73.2 Å²	73.2	32%	0.315	36%	0.363	S	S	.	.	H	α-helix	trans	-65.3	-48.6	-178.7	-166.1	77.8	0	0	0	111.8	L66 L71 E72 N114 F117	L66-H68 VanDerWaalsContact C-N 3.28Å; L66-H68 PolarHBondContact O-N 2.97Å; H68-L71 PolarHBondContact O-N 3.13Å; H68-E72 WeakPolarHBondContact O-CB 3.25Å; H68-E72 PolarHBondContact O-N 2.99Å; H68-N114 PolarHBondContact ND1-OD1 3.42Å; H68-F117 AromaticContact CE1-CE2 3.88Å
69	Q	60.9	Low	60.5	Low	115 Å²	115	71.6 Å²	71.6	54%	0.537	36%	0.356	S	S	.	.	H	α-helix	trans	-65.6	-39.4	177.4	-69.7	178.4	-12.5	0	0	111.9	E72 E73	Q69-E72 PolarHBondContact O-N 3.45Å; Q69-E73 PolarHBondContact O-N 3.18Å
70	A	64.4	Low	60.6	Low	4 Å²	4	75.1 Å²	75.1	3%	0.033	38%	0.381	C	S	.	.	H	α-helix	trans	-64.5	-40.4	177.2	0	0	0	0	0	112.6	M55 L59 L66 H67 L74	M55-A70 HydrophobicContact CE-CB 4.15Å; M55-A70 WeakPolarHBondContact CE-O 3.11Å; M55-A70 HydrophobicContact SD-CB 4.24Å; L59-A70 HydrophobicContact CG-CB 4.3Å; L66-A70 VanDerWaalsContact O-CB 3.31Å; L66-A70 WeakPolarHBondContact O-CB 3.41Å; L66-A70 PolarHBondContact O-N 2.94Å; H67-A70 PolarHBondContact O-N 2.84Å; A70-L74 VanDerWaalsContact O-CB 3.25Å; A70-L74 WeakPolarHBondContact O-CB 3.27Å; A70-L74 PolarHBondContact O-N 3.05Å
71	L	63.7	Low	60.7	Low	6 Å²	6	72.6 Å²	72.6	3%	0.031	36%	0.364	C	S	.	.	H	α-helix	trans	-69.2	-37.5	176.5	-70.2	160.3	0	0	0	112.4	L59 H67 H68 R75 F117 C118 V121	L59-L71 HydrophobicContact CD1-CD2 4.33Å; L59-L71 HydrophobicContact CD2-CD1 4.31Å; L59-L71 HydrophobicContact CD2-CD2 3.96Å; L59-L71 HydrophobicContact CD2-CG 3.91Å; H67-L71 WeakPolarHBondContact O-CB 3.07Å; H67-L71 VanDerWaalsContact O-CD1 3.22Å; H67-L71 WeakPolarHBondContact O-CD1 3.31Å; H67-L71 WeakPolarHBondContact O-CG 3.45Å; H67-L71 PolarHBondContact O-N 2.87Å; H68-L71 PolarHBondContact O-N 3.13Å; L71-R75 VanDerWaalsContact O-CB 3.25Å; L71-R75 WeakPolarHBondContact O-CB 3.38Å; L71-R75 PolarHBondContact O-N 3.21Å; L71-F117 HydrophobicContact CD1-CB 4.48Å; L71-C118 WeakPolarHBondContact CD1-SG 3.49Å; L71-V121 HydrophobicContact CD2-CG2 4.31Å
72	E	67.9	Low	60.1	Low	110 Å²	110	69.1 Å²	69.1	51%	0.514	35%	0.35	S	S	.	.	H	α-helix	trans	-70.1	-40.2	-179.8	-165.5	173.3	-166.7	0	0	112	H68 Q69 R75 R76	H68-E72 WeakPolarHBondContact O-CB 3.25Å; H68-E72 PolarHBondContact O-N 2.99Å; Q69-E72 PolarHBondContact O-N 3.45Å; E72-R75 PolarHBondContact O-N 3.31Å; E72-R76 WeakPolarHBondContact O-CB 3.31Å; E72-R76 PolarHBondContact O-N 2.97Å
73	E	68.4	Low	60.4	Low	99 Å²	99	65 Å²	65	46%	0.463	34%	0.342	S	S	.	.	H	α-helix	trans	-69.1	-40.7	173.3	-77.5	-177.5	168	0	0	112.2	M55 Q69 R75 R76 Q77	M55-E73 HydrophobicContact CE-CB 3.38Å; M55-E73 HydrophobicContact CE-CG 4.3Å; M55-E73 WeakPolarHBondContact CE-OE2 3.12Å; Q69-E73 PolarHBondContact O-N 3.18Å; E73-R75 VanDerWaalsContact C-N 3.31Å; E73-R75 PolarHBondContact O-N 3.17Å; E73-R76 PolarHBondContact O-N 2.59Å; E73-Q77 WeakPolarHBondContact O-CG 3.22Å; E73-Q77 PolarHBondContact O-N 2.89Å
74	L	66.8	Low	60.2	Low	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.1	-44.1	174	-166	87.6	0	0	0	111	L52 M55 A70 Q77 I78 L95 V121	L52-L74 HydrophobicContact CD2-CD1 3.48Å; L52-L74 VanDerWaalsContact CD2-CD1 3.48Å; M55-L74 HydrophobicContact CB-CD1 4.46Å; A70-L74 VanDerWaalsContact O-CB 3.25Å; A70-L74 WeakPolarHBondContact O-CB 3.27Å; A70-L74 PolarHBondContact O-N 3.05Å; L74-Q77 PolarHBondContact O-N 3.1Å; L74-I78 HydrophobicContact CD2-CD1 4.28Å; L74-I78 HydrophobicContact CG-CD1 4.13Å; L74-I78 VanDerWaalsContact O-CG1 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.26Å; L74-I78 PolarHBondContact O-N 3.31Å; L74-L95 HydrophobicContact CD1-CD2 4.37Å; L74-V121 HydrophobicContact CD2-CG1 3.45Å; L74-V121 VanDerWaalsContact CD2-CG1 3.45Å
75	R	62.4	Low	59.5	Low	28 Å²	28	68.2 Å²	68.2	11%	0.106	35%	0.351	C	S	.	.	H	α-helix	trans	-62.2	-45.5	175.4	175.1	178.2	178.4	-151.2	-0.3	112.2	L71 E72 E73 Q77 I78 R79 E145 W150	L71-R75 VanDerWaalsContact O-CB 3.25Å; L71-R75 WeakPolarHBondContact O-CB 3.38Å; L71-R75 PolarHBondContact O-N 3.21Å; E72-R75 PolarHBondContact O-N 3.31Å; E73-R75 VanDerWaalsContact C-N 3.31Å; E73-R75 PolarHBondContact O-N 3.17Å; R75-Q77 VanDerWaalsContact C-N 3.3Å; R75-Q77 PolarHBondContact O-N 3.04Å; R75-I78 PolarHBondContact O-N 2.9Å; R75-R79 VanDerWaalsContact CZ-NH2 3.35Å; R75-R79 VanDerWaalsContact NE-NH2 3.17Å; R75-R79 VanDerWaalsContact NH2-NH1 3.12Å; R75-R79 WeakPolarHBondContact O-CB 3.42Å; R75-R79 VanDerWaalsContact O-CG 3.31Å; R75-R79 WeakPolarHBondContact O-CG 3.4Å; R75-R79 PolarHBondContact O-N 2.81Å; R75-E145 IonicContact CZ-OE1 3.54Å; R75-E145 IonicContact CZ-OE2 3.28Å; R75-E145 IonicContact NH1-OE1 3.95Å; R75-E145 IonicContact NH1-OE2 3.79Å; R75-E145 IonicContact NH2-OE1 3.2Å; R75-E145 PolarHBondContact NH2-OE1 3.02Å; R75-E145 IonicContact NH2-OE2 2.69Å; R75-E145 PolarHBondContact NH2-OE2 3.35Å; R75-W150 HydrophobicContact CB-CH2 4.37Å; R75-W150 HydrophobicContact CG-CH2 3.75Å; R75-W150 HydrophobicContact CG-CZ2 4.21Å; R75-W150 HydrophobicContact CG-CZ3 4.39Å
76	R	71.3	Confident	59.1	Low	195 Å²	195	70 Å²	70	74%	0.736	36%	0.358	S	S	*	.	H	α-helix	trans	-60.7	-41	177.6	-179.8	179.4	153	-171.4	-8.3	111.4	E72 E73 S80	E72-R76 WeakPolarHBondContact O-CB 3.31Å; E72-R76 PolarHBondContact O-N 2.97Å; E73-R76 PolarHBondContact O-N 2.59Å; R76-S80 PolarHBondContact O-N 3.03Å; R76-S80 PolarHBondContact O-OG 2.59Å
77	Q	65.9	Low	58.8	Low	52 Å²	52	69.8 Å²	69.8	24%	0.243	36%	0.363	C	S	.	.	H	α-helix	trans	-67.3	-45.6	176.7	-73.3	-175.9	-2.8	0	0	112	E73 L74 R75 R79 S80 S81	E73-Q77 WeakPolarHBondContact O-CG 3.22Å; E73-Q77 PolarHBondContact O-N 2.89Å; L74-Q77 PolarHBondContact O-N 3.1Å; R75-Q77 VanDerWaalsContact C-N 3.3Å; R75-Q77 PolarHBondContact O-N 3.04Å; Q77-R79 VanDerWaalsContact C-N 3.31Å; Q77-R79 PolarHBondContact O-N 3.22Å; Q77-S80 WeakPolarHBondContact CA-OG 3.39Å; Q77-S80 PolarHBondContact O-N 2.93Å; Q77-S80 PolarHBondContact O-OG 3.28Å; Q77-S81 PolarHBondContact O-N 2.9Å; Q77-S81 PolarHBondContact O-OG 2.64Å
78	I	64.4	Low	58.6	Low	3 Å²	3	72.4 Å²	72.4	2%	0.015	38%	0.38	C	S	.	.	H	α-helix	trans	-57.8	-44	175.9	-68.9	166.3	0	0	0	110.9	L74 R75 S81 T82 V124 W150	L74-I78 HydrophobicContact CD2-CD1 4.28Å; L74-I78 HydrophobicContact CG-CD1 4.13Å; L74-I78 VanDerWaalsContact O-CG1 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.26Å; L74-I78 PolarHBondContact O-N 3.31Å; R75-I78 PolarHBondContact O-N 2.9Å; I78-S81 PolarHBondContact O-N 3.47Å; I78-T82 PolarHBondContact O-N 3.44Å; I78-T82 VanDerWaalsContact O-N 3.13Å; I78-T82 PolarHBondContact O-OG1 3.36Å; I78-V124 HydrophobicContact CG2-CG1 4.16Å; I78-W150 HydrophobicContact CG2-CE3 4.38Å; I78-W150 HydrophobicContact CG2-CZ3 4.12Å
79	R	61	Low	58.7	Low	73 Å²	73	69.7 Å²	69.7	28%	0.275	37%	0.369	S	S	.	.	H	α-helix	trans	-63.5	-43.7	176.8	-77.3	-179.1	168.9	173.3	-0.8	113.7	R75 Q77 S81 T82 S149	R75-R79 VanDerWaalsContact CZ-NH2 3.35Å; R75-R79 VanDerWaalsContact NE-NH2 3.17Å; R75-R79 VanDerWaalsContact NH2-NH1 3.12Å; R75-R79 WeakPolarHBondContact O-CB 3.42Å; R75-R79 VanDerWaalsContact O-CG 3.31Å; R75-R79 WeakPolarHBondContact O-CG 3.4Å; R75-R79 PolarHBondContact O-N 2.81Å; Q77-R79 VanDerWaalsContact C-N 3.31Å; Q77-R79 PolarHBondContact O-N 3.22Å; R79-S81 PolarHBondContact O-N 2.95Å; R79-T82 WeakPolarHBondContact CA-OG1 3.39Å; R79-T82 PolarHBondContact O-N 3.48Å; R79-T82 PolarHBondContact O-OG1 2.96Å; R79-S149 WeakPolarHBondContact CG-O 3.35Å; R79-S149 PolarHBondContact NE-O 2.99Å; R79-S149 PolarHBondContact NH2-OG 3.27Å
80	S	62.7	Low	58.6	Low	76 Å²	76	69.5 Å²	69.5	53%	0.531	37%	0.366	S	S	.	.	H	α-helix	trans	-63.8	-30	179.3	59.2	0	0	0	0	112.5	R76 Q77 T83	R76-S80 PolarHBondContact O-N 3.03Å; R76-S80 PolarHBondContact O-OG 2.59Å; Q77-S80 WeakPolarHBondContact CA-OG 3.39Å; Q77-S80 PolarHBondContact O-N 2.93Å; Q77-S80 PolarHBondContact O-OG 3.28Å; S80-T83 PolarHBondContact O-OG1 3.36Å
81	S	56.1	Low	58.3	Low	34 Å²	34	69.7 Å²	69.7	24%	0.238	37%	0.367	C	S	.	.	H	α-helix	trans	-91	-17	-178	-55.6	0	0	0	0	114.9	Q77 I78 R79 T83 S84	Q77-S81 PolarHBondContact O-N 2.9Å; Q77-S81 PolarHBondContact O-OG 2.64Å; I78-S81 PolarHBondContact O-N 3.47Å; R79-S81 PolarHBondContact O-N 2.95Å; S81-T83 VanDerWaalsContact C-N 3.34Å; S81-S84 PolarHBondContact O-OG 2.94Å
82	T	50.9	Low	58	Low	34 Å²	34	69.6 Å²	69.6	21%	0.209	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-3.5	-178.9	21	0	0	0	0	114.4	I78 R79 S84 P89	I78-T82 PolarHBondContact O-N 3.44Å; I78-T82 VanDerWaalsContact O-N 3.13Å; I78-T82 PolarHBondContact O-OG1 3.36Å; R79-T82 WeakPolarHBondContact CA-OG1 3.39Å; R79-T82 PolarHBondContact O-N 3.48Å; R79-T82 PolarHBondContact O-OG1 2.96Å; T82-S84 PolarHBondContact O-N 3.16Å; T82-S84 VanDerWaalsContact O-N 3.16Å; T82-P89 HydrophobicContact CG2-CG 3.57Å
83	T	53.3	Low	57.7	Low	120 Å²	120	70.7 Å²	70.7	74%	0.736	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-5.7	176.8	52.8	0	0	0	0	113.9	S80 S81	S80-T83 PolarHBondContact O-OG1 3.36Å; S81-T83 VanDerWaalsContact C-N 3.34Å
84	S	46.2	Very low	57.3	Low	67 Å²	67	68.1 Å²	68.1	47%	0.469	36%	0.357	S	S	.	.			trans	-93.1	101.4	-179.3	-15.3	0	0	0	0	110.9	S81 T82 T86	S81-S84 PolarHBondContact O-OG 2.94Å; T82-S84 PolarHBondContact O-N 3.16Å; T82-S84 VanDerWaalsContact O-N 3.16Å; S84-T86 PolarHBondContact O-N 3.13Å
85	M	39.6	Very low	56.9	Low	167 Å²	167	68.1 Å²	68.1	82%	0.823	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	7.5	-168.7	-154.3	-170	178.2	0	0	117.2
86	T	43.4	Very low	56.7	Low	130 Å²	130	74 Å²	74	80%	0.798	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.8	-0.4	-164.1	59.9	0	0	0	0	116.4	S84	S84-T86 PolarHBondContact O-N 3.13Å
87	S	51.6	Low	56.2	Low	70 Å²	70	69.5 Å²	69.5	49%	0.49	38%	0.375	S	S	.	.	S	Bend	trans	-152.4	139.3	177.4	57.6	0	0	0	0	112.7	P89	S87-P89 VanDerWaalsContact O-CD 3.24Å; S87-P89 WeakPolarHBondContact O-CD 3.13Å
88	V	52.5	Low	55.8	Low	69 Å²	69	68.2 Å²	68.2	42%	0.418	37%	0.369	S	S	.	.			trans	-45.1	114.6	170.6	178.8	0	0	0	0	108.4	K90 L92 T128	V88-K90 PolarHBondContact O-N 3.29Å; V88-L92 HydrophobicContact CG1-CB 4.49Å; V88-T128 HydrophobicContact CG1-CG2 4.42Å
89	P	58.8	Low	55.5	Low	12 Å²	12	68.7 Å²	68.7	8%	0.078	37%	0.371	C	S	.	.			trans	-49.7	126.9	-175.3	-28.7	29.3	0	0	0	111.3	T82 S87 P91 L92	T82-P89 HydrophobicContact CG2-CG 3.57Å; S87-P89 VanDerWaalsContact O-CD 3.24Å; S87-P89 WeakPolarHBondContact O-CD 3.13Å; P89-P91 VanDerWaalsContact O-N 3.14Å; P89-L92 HydrophobicContact CB-CD1 4.11Å; P89-L92 HydrophobicContact CB-CG 4.36Å; P89-L92 HydrophobicContact CG-CD1 3.92Å; P89-L92 WeakPolarHBondContact O-CB 3.39Å; P89-L92 PolarHBondContact O-N 2.92Å
90	K	59	Low	55.5	Low	111 Å²	111	67.2 Å²	67.2	48%	0.483	38%	0.379	S	S	.	.	H	α-helix	trans	-47.3	-37.9	175	-64.3	-179.1	177.5	-177.2	0	113.8	D45 V88 L92 K93 F94	D45-K90 IonicContact OD1-NZ 2.7Å; D45-K90 IonicContact OD2-NZ 3.56Å; D45-K90 PolarHBondContact OD2-NZ 3.31Å; V88-K90 PolarHBondContact O-N 3.29Å; K90-L92 VanDerWaalsContact C-N 3.28Å; K90-L92 PolarHBondContact O-N 3.29Å; K90-K93 WeakPolarHBondContact O-CB 3.49Å; K90-K93 PolarHBondContact O-N 3.23Å; K90-K93 VanDerWaalsContact O-N 3.12Å; K90-F94 HydrophobicContact CB-CE2 4.27Å; K90-F94 VanDerWaalsContact O-CD2 3.29Å; K90-F94 WeakPolarHBondContact O-CD2 3.34Å; K90-F94 PolarHBondContact O-N 3Å
91	P	57.8	Low	55.4	Low	7 Å²	7	69 Å²	69	5%	0.045	38%	0.377	C	S	.	.	H	α-helix	trans	-55.8	-38.3	174.4	-23.6	30.6	0	0	0	114	L48 L52 P89 K93 F94 L95	L48-P91 HydrophobicContact CD2-CG 4.08Å; L52-P91 HydrophobicContact CD1-CB 4.16Å; P89-P91 VanDerWaalsContact O-N 3.14Å; P91-K93 VanDerWaalsContact C-N 3.33Å; P91-K93 PolarHBondContact O-N 3.41Å; P91-F94 PolarHBondContact O-N 3.4Å; P91-L95 WeakPolarHBondContact O-CD1 3.39Å; P91-L95 PolarHBondContact O-N 3.47Å
92	L	58.8	Low	55.6	Low	4 Å²	4	67.7 Å²	67.7	2%	0.021	37%	0.367	C	S	.	.	H	α-helix	trans	-69.2	-30.9	179.6	-70.6	169.1	0	0	0	112.2	V88 P89 K90 R96 V124 L125 M127 T128	V88-L92 HydrophobicContact CG1-CB 4.49Å; P89-L92 HydrophobicContact CB-CD1 4.11Å; P89-L92 HydrophobicContact CB-CG 4.36Å; P89-L92 HydrophobicContact CG-CD1 3.92Å; P89-L92 WeakPolarHBondContact O-CB 3.39Å; P89-L92 PolarHBondContact O-N 2.92Å; K90-L92 VanDerWaalsContact C-N 3.28Å; K90-L92 PolarHBondContact O-N 3.29Å; L92-R96 PolarHBondContact O-N 2.91Å; L92-V124 HydrophobicContact CD2-CG1 4.19Å; L92-L125 HydrophobicContact CD2-CD2 3.91Å; L92-L125 HydrophobicContact CD2-CG 4.35Å; L92-M127 HydrophobicContact CD1-SD 4.16Å; L92-T128 HydrophobicContact CB-CG2 3.79Å
93	K	61.9	Low	56	Low	134 Å²	134	69.2 Å²	69.2	58%	0.583	37%	0.371	S	S	*	.	H	α-helix	trans	-67.5	-39.1	173.4	-68	-176.2	-179.3	178.7	0	111.8	K90 P91 R96	K90-K93 WeakPolarHBondContact O-CB 3.49Å; K90-K93 PolarHBondContact O-N 3.23Å; K90-K93 VanDerWaalsContact O-N 3.12Å; P91-K93 VanDerWaalsContact C-N 3.33Å; P91-K93 PolarHBondContact O-N 3.41Å; K93-R96 WeakPolarHBondContact O-CB 3.22Å
94	F	59.1	Low	56.5	Low	44 Å²	44	70.3 Å²	70.3	19%	0.193	37%	0.367	C	S	.	.	H	α-helix	trans	-75.7	-30.4	180	-62.4	-46.8	0	0	0	113.3	L41 Q49 L52 K90 P91 R96 P97	L41-F94 HydrophobicContact CD2-CZ 4.2Å; Q49-F94 HydrophobicContact CB-CG 4.46Å; Q49-F94 HydrophobicContact CG-CB 4.43Å; Q49-F94 HydrophobicContact CG-CD1 4.34Å; Q49-F94 HydrophobicContact CG-CG 4.35Å; L52-F94 HydrophobicContact CD1-CB 4.37Å; K90-F94 HydrophobicContact CB-CE2 4.27Å; K90-F94 VanDerWaalsContact O-CD2 3.29Å; K90-F94 WeakPolarHBondContact O-CD2 3.34Å; K90-F94 PolarHBondContact O-N 3Å; P91-F94 PolarHBondContact O-N 3.4Å; F94-R96 VanDerWaalsContact C-N 3.32Å; F94-R96 PolarHBondContact O-N 3.04Å; F94-P97 WeakPolarHBondContact O-CD 3.29Å
95	L	58.5	Low	57.1	Low	1 Å²	1	68.5 Å²	68.5	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-78.8	-10.4	176.6	-77.9	153.3	0	0	0	114.3	L52 V56 L74 P91 P97 H98 Y99 L125	L52-L95 HydrophobicContact CD1-CD1 4.45Å; L52-L95 HydrophobicContact CD1-CG 4.45Å; L52-L95 HydrophobicContact CD2-CD1 4.1Å; L52-L95 HydrophobicContact CD2-CG 4.44Å; V56-L95 HydrophobicContact CG2-CD2 3.97Å; L74-L95 HydrophobicContact CD1-CD2 4.37Å; P91-L95 WeakPolarHBondContact O-CD1 3.39Å; P91-L95 PolarHBondContact O-N 3.47Å; L95-P97 VanDerWaalsContact C-CD 3.49Å; L95-H98 PolarHBondContact O-N 3.34Å; L95-Y99 PolarHBondContact O-N 3.25Å; L95-L125 HydrophobicContact CB-CD2 3.28Å; L95-L125 HydrophobicContact CD1-CD2 3.96Å; L95-L125 HydrophobicContact CG-CD2 4.12Å
96	R	58	Low	57.9	Low	150 Å²	150	61.8 Å²	61.8	57%	0.566	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-54.8	-41.4	-177.8	-160.7	-178.8	-169.4	-164.8	2.7	114.9	L92 K93 F94 H98 T128	L92-R96 PolarHBondContact O-N 2.91Å; K93-R96 WeakPolarHBondContact O-CB 3.22Å; F94-R96 VanDerWaalsContact C-N 3.32Å; F94-R96 PolarHBondContact O-N 3.04Å; R96-H98 VanDerWaalsContact C-N 3.27Å; R96-H98 PolarHBondContact O-N 2.92Å; R96-T128 PolarHBondContact NE-O 3.28Å
97	P	60.9	Low	58.6	Low	102 Å²	102	62.1 Å²	62.1	66%	0.662	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-71.5	-19.4	177	-17.4	33.3	0	0	0	113.8	F94 L95	F94-P97 WeakPolarHBondContact O-CD 3.29Å; L95-P97 VanDerWaalsContact C-CD 3.49Å
98	H	58.3	Low	58.5	Low	24 Å²	24	62.1 Å²	62.1	11%	0.111	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-91	-7.5	-175.9	-70.1	-88.5	0	0	0	113.6	V56 L95 R96 G100 K101 L102	V56-H98 HydrophobicContact CG1-CB 4.02Å; V56-H98 WeakPolarHBondContact CG1-ND1 3.31Å; V56-H98 HydrophobicContact CG2-CB 4.15Å; L95-H98 PolarHBondContact O-N 3.34Å; R96-H98 VanDerWaalsContact C-N 3.27Å; R96-H98 PolarHBondContact O-N 2.92Å; H98-G100 VanDerWaalsContact C-N 3.31Å; H98-G100 PolarHBondContact O-N 2.88Å; H98-K101 PolarHBondContact O-N 3.36Å; H98-L102 HydrophobicContact CB-CD1 4.31Å; H98-L102 PolarHBondContact O-N 2.69Å
99	Y	57.9	Low	58.6	Low	13 Å²	13	60.1 Å²	60.1	5%	0.051	31%	0.308	C	S	.	.	H	α-helix	trans	-55.3	-42.6	180	-171	-104.2	0	0	0	113.2	L95 K101 L102 K103 V122 L125 A126 M129 E134	L95-Y99 PolarHBondContact O-N 3.25Å; Y99-K101 PolarHBondContact O-N 3.45Å; Y99-L102 PolarHBondContact O-N 3.33Å; Y99-K103 PolarHBondContact O-N 3.08Å; Y99-V122 HydrophobicContact CE2-CG1 4.09Å; Y99-L125 HydrophobicContact CD2-CB 4Å; Y99-L125 HydrophobicContact CE2-CB 4.22Å; Y99-A126 HydrophobicContact CE2-CB 4.22Å; Y99-M129 HydrophobicContact CD1-SD 3.59Å; Y99-M129 VanDerWaalsContact CD1-SD 3.59Å; Y99-M129 HydrophobicContact CE1-SD 4.06Å; Y99-M129 HydrophobicContact CG-SD 4.39Å; Y99-E134 VanDerWaalsContact CE1-OE2 3.31Å; Y99-E134 WeakPolarHBondContact CE1-OE2 3.01Å; Y99-E134 PolarHBondContact OH-OE2 3.18Å
100	G	59.9	Low	57.7	Low	43 Å²	43	65 Å²	65	44%	0.443	34%	0.338	S	S	.	.	H	α-helix	trans	-62.9	-38.9	176.5	0	0	0	0	0	113.3	H98 K103 E104	H98-G100 VanDerWaalsContact C-N 3.31Å; H98-G100 PolarHBondContact O-N 2.88Å; G100-K103 PolarHBondContact O-N 2.68Å; G100-E104 PolarHBondContact O-N 2.74Å
101	K	60.9	Low	56.7	Low	114 Å²	114	65.6 Å²	65.6	50%	0.496	35%	0.353	S	S	.	.	H	α-helix	trans	-70.6	-39.3	176.8	-68.5	179.9	178	177.3	0	111.7	H98 Y99 K103 E104 I105	H98-K101 PolarHBondContact O-N 3.36Å; Y99-K101 PolarHBondContact O-N 3.45Å; K101-K103 VanDerWaalsContact C-N 3.3Å; K101-K103 PolarHBondContact O-N 2.82Å; K101-E104 PolarHBondContact O-N 3.31Å; K101-I105 WeakPolarHBondContact O-CB 3.5Å; K101-I105 WeakPolarHBondContact O-CD1 3.37Å; K101-I105 WeakPolarHBondContact O-CG1 3.4Å; K101-I105 PolarHBondContact O-N 2.78Å
102	L	60.5	Low	56.5	Low	5 Å²	5	67.1 Å²	67.1	3%	0.026	37%	0.369	C	S	.	.	H	α-helix	trans	-64.3	-33.5	175.6	-83.5	149.6	0	0	0	112.4	V56 L59 H98 Y99 I105 Y106 V122 L125	V56-L102 HydrophobicContact CG2-CD1 4.49Å; L59-L102 HydrophobicContact CD1-CD2 4.4Å; H98-L102 HydrophobicContact CB-CD1 4.31Å; H98-L102 PolarHBondContact O-N 2.69Å; Y99-L102 PolarHBondContact O-N 3.33Å; L102-I105 PolarHBondContact O-N 3Å; L102-Y106 WeakPolarHBondContact O-CB 3.26Å; L102-Y106 PolarHBondContact O-N 3.01Å; L102-V122 HydrophobicContact CB-CG2 4.41Å; L102-L125 HydrophobicContact CD1-CD1 3.95Å
103	K	60	Low	56.3	Low	66 Å²	66	73.6 Å²	73.6	29%	0.287	40%	0.4	S	S	.	.	H	α-helix	trans	-68.1	-43.9	173.8	-170.6	171.1	179.2	169.9	0	112.5	Y99 G100 K101 I105 Y106 E107 E134	Y99-K103 PolarHBondContact O-N 3.08Å; G100-K103 PolarHBondContact O-N 2.68Å; K101-K103 VanDerWaalsContact C-N 3.3Å; K101-K103 PolarHBondContact O-N 2.82Å; K103-I105 VanDerWaalsContact C-N 3.33Å; K103-I105 PolarHBondContact O-N 2.89Å; K103-Y106 WeakPolarHBondContact O-CB 2.78Å; K103-Y106 PolarHBondContact O-N 3.17Å; K103-E107 PolarHBondContact O-N 3Å; K103-E134 IonicContact NZ-OE1 3.2Å; K103-E134 PolarHBondContact NZ-OE1 3.43Å
104	E	62.3	Low	55.9	Low	143 Å²	143	68.8 Å²	68.8	67%	0.668	38%	0.381	S	S	*	.	H	α-helix	trans	-63.3	-38.5	173.6	-70.3	177	176.5	0	0	112	G100 K101 E107 G108	G100-E104 PolarHBondContact O-N 2.74Å; K101-E104 PolarHBondContact O-N 3.31Å; E104-E107 PolarHBondContact O-N 2.97Å; E104-G108 PolarHBondContact O-N 2.68Å
105	I	59.8	Low	55.9	Low	29 Å²	29	69.1 Å²	69.1	15%	0.149	38%	0.382	C	S	.	.	H	α-helix	trans	-65.8	-40	174.6	-68.2	162	0	0	0	110.7	L59 K101 L102 K103 G108 M109	L59-I105 HydrophobicContact CB-CD1 4.24Å; K101-I105 WeakPolarHBondContact O-CB 3.5Å; K101-I105 WeakPolarHBondContact O-CD1 3.37Å; K101-I105 WeakPolarHBondContact O-CG1 3.4Å; K101-I105 PolarHBondContact O-N 2.78Å; L102-I105 PolarHBondContact O-N 3Å; K103-I105 VanDerWaalsContact C-N 3.33Å; K103-I105 PolarHBondContact O-N 2.89Å; I105-G108 PolarHBondContact O-N 3.29Å; I105-M109 WeakPolarHBondContact O-CB 3.14Å; I105-M109 PolarHBondContact O-N 3.43Å
106	Y	55.9	Low	55.9	Low	26 Å²	26	75.8 Å²	75.8	10%	0.102	41%	0.407	C	S	.	.	H	α-helix	trans	-64.8	-39.3	176.5	177.3	-95.3	0	0	0	113	L102 K103 K115 C118 A119 Y138 V141	L102-Y106 WeakPolarHBondContact O-CB 3.26Å; L102-Y106 PolarHBondContact O-N 3.01Å; K103-Y106 WeakPolarHBondContact O-CB 2.78Å; K103-Y106 PolarHBondContact O-N 3.17Å; Y106-K115 HydrophobicContact CD2-CG 4.13Å; Y106-K115 HydrophobicContact CE2-CD 4.36Å; Y106-K115 HydrophobicContact CE2-CG 3.59Å; Y106-C118 HydrophobicContact CD2-CB 4.26Å; Y106-A119 HydrophobicContact CE2-CB 3.95Å; Y106-Y138 AromaticContact CD1-CE1 3.78Å; Y106-Y138 HydrophobicContact CD1-CE1 3.78Å; Y106-Y138 HydrophobicContact CE1-CD1 4.03Å; Y106-Y138 AromaticContact CE1-CE1 3.46Å; Y106-Y138 HydrophobicContact CE1-CE1 3.46Å; Y106-Y138 VanDerWaalsContact CE1-CE1 3.46Å; Y106-Y138 HydrophobicContact CE2-CD1 4.34Å; Y106-Y138 HydrophobicContact CE2-CE1 4.47Å; Y106-Y138 HydrophobicContact CG-CE1 4.41Å; Y106-Y138 AromaticContact CZ-CD1 3.88Å; Y106-Y138 AromaticContact CZ-CE1 3.82Å; Y106-V141 VanDerWaalsContact OH-CG1 3.32Å; Y106-V141 WeakPolarHBondContact OH-CG1 3.49Å
107	E	58.1	Low	55.9	Low	138 Å²	138	71.1 Å²	71.1	65%	0.645	39%	0.391	S	S	*	.	H	α-helix	trans	-70.7	-31.3	175.4	-72.7	-178.5	-179.6	0	0	112.4	K103 E104	K103-E107 PolarHBondContact O-N 3Å; E104-E107 PolarHBondContact O-N 2.97Å
108	G	49.6	Very low	55.6	Low	70 Å²	70	66.5 Å²	66.5	72%	0.722	36%	0.361	S	S	*	.	H	α-helix	trans	-80.6	-8.6	178.4	0	0	0	0	0	116.1	E104 I105	E104-G108 PolarHBondContact O-N 2.68Å; I105-G108 PolarHBondContact O-N 3.29Å
109	M	54	Low	55.6	Low	27 Å²	27	65.4 Å²	65.4	13%	0.133	36%	0.356	C	S	.	.	S	Bend	trans	-95.9	137.8	-171.3	-147.5	154.4	-168	0	0	113.7	H67 I105 N114	H67-M109 HydrophobicContact CB-CE 3.63Å; H67-M109 WeakPolarHBondContact CD2-CE 3.28Å; H67-M109 VanDerWaalsContact CG-CE 3.47Å; I105-M109 WeakPolarHBondContact O-CB 3.14Å; I105-M109 PolarHBondContact O-N 3.43Å; M109-N114 HydrophobicContact CE-CB 4.07Å
110	T	41.3	Very low	55.8	Low	115 Å²	115	65.1 Å²	65.1	71%	0.706	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-63.3	145.8	177.6	50.2	0	0	0	0	112.2	G112	T110-G112 PolarHBondContact O-N 2.93Å
111	P	37.7	Very low	56	Low	123 Å²	123	63.2 Å²	63.2	80%	0.799	34%	0.335	S	S	*	.	S	Bend	trans	-66.1	116.9	-178.6	27.5	-32.9	0	0	0	111
112	G	54.1	Low	56.1	Low	38 Å²	38	57.9 Å²	57.9	39%	0.392	31%	0.312	S	S	.	.	S	Bend	trans	-172.3	-177	179.7	0	0	0	0	0	111.9	T110 N114 K115 R116	T110-G112 PolarHBondContact O-N 2.93Å; G112-N114 PolarHBondContact O-N 3.2Å; G112-K115 WeakPolarHBondContact O-CB 3.39Å; G112-K115 PolarHBondContact O-N 3.37Å; G112-R116 PolarHBondContact O-N 3.19Å
113	E	52.9	Low	56.1	Low	140 Å²	140	57.7 Å²	57.7	65%	0.654	31%	0.311	S	S	*	.	H	α-helix	trans	-51.9	-39	178.3	-71.3	174.4	172.9	0	0	112.2	K115 R116 F117	E113-K115 VanDerWaalsContact C-N 3.29Å; E113-K115 PolarHBondContact O-N 3.18Å; E113-R116 WeakPolarHBondContact O-CB 3.43Å; E113-R116 PolarHBondContact O-N 3.28Å; E113-R116 VanDerWaalsContact O-N 3.1Å; E113-F117 HydrophobicContact CB-CD2 4.25Å; E113-F117 HydrophobicContact CB-CE2 4.12Å; E113-F117 WeakPolarHBondContact O-CD2 3.36Å; E113-F117 PolarHBondContact O-N 3.47Å
114	N	53.6	Low	56.2	Low	34 Å²	34	54.7 Å²	54.7	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-31.4	176.5	-67.1	-10.4	0	0	0	113.6	A64 H68 M109 G112 C118	A64-N114 PolarHBondContact O-ND2 3.41Å; H68-N114 PolarHBondContact ND1-OD1 3.42Å; M109-N114 HydrophobicContact CE-CB 4.07Å; G112-N114 PolarHBondContact O-N 3.2Å; N114-C118 VanDerWaalsContact O-CB 3.27Å; N114-C118 WeakPolarHBondContact O-CB 3.46Å; N114-C118 PolarHBondContact O-N 3.24Å; N114-C118 PolarHBondContact O-SG 3.3Å
115	K	58.9	Low	56.2	Low	51 Å²	51	47.9 Å²	47.9	22%	0.222	27%	0.266	C	S	.	.	H	α-helix	trans	-72.6	-34.2	175.4	-169.7	168.8	-174.2	161.2	0	111.4	Y106 G112 E113 A119	Y106-K115 HydrophobicContact CD2-CG 4.13Å; Y106-K115 HydrophobicContact CE2-CD 4.36Å; Y106-K115 HydrophobicContact CE2-CG 3.59Å; G112-K115 WeakPolarHBondContact O-CB 3.39Å; G112-K115 PolarHBondContact O-N 3.37Å; E113-K115 VanDerWaalsContact C-N 3.29Å; E113-K115 PolarHBondContact O-N 3.18Å; K115-A119 WeakPolarHBondContact O-CB 3.44Å; K115-A119 PolarHBondContact O-N 3.41Å
116	R	59.5	Low	56.1	Low	140 Å²	140	46.7 Å²	46.7	53%	0.528	26%	0.261	S	S	.	.	H	α-helix	trans	-69.5	-44.7	174.1	-62.3	-175.9	175.3	167.8	-2.4	111.3	G112 E113 A119 D120	G112-R116 PolarHBondContact O-N 3.19Å; E113-R116 WeakPolarHBondContact O-CB 3.43Å; E113-R116 PolarHBondContact O-N 3.28Å; E113-R116 VanDerWaalsContact O-N 3.1Å; R116-A119 WeakPolarHBondContact O-CB 3.24Å; R116-A119 PolarHBondContact O-N 2.9Å; R116-A119 VanDerWaalsContact O-N 3.11Å; R116-D120 PolarHBondContact O-N 2.96Å
117	F	58.7	Low	56.1	Low	53 Å²	53	47.1 Å²	47.1	23%	0.232	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-39.5	175	-74.9	-62.4	0	0	0	113	H68 L71 E113 A119 D120 V121	H68-F117 AromaticContact CE1-CE2 3.88Å; L71-F117 HydrophobicContact CD1-CB 4.48Å; E113-F117 HydrophobicContact CB-CD2 4.25Å; E113-F117 HydrophobicContact CB-CE2 4.12Å; E113-F117 WeakPolarHBondContact O-CD2 3.36Å; E113-F117 PolarHBondContact O-N 3.47Å; F117-A119 VanDerWaalsContact C-N 3.31Å; F117-D120 PolarHBondContact O-N 3.25Å; F117-V121 WeakPolarHBondContact O-CG2 3.47Å; F117-V121 PolarHBondContact O-N 3.04Å
118	C	54.2	Low	56	Low	5 Å²	5	41.7 Å²	41.7	3%	0.034	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-39.4	170.1	-79.7	0	0	0	0	111.5	L71 Y106 N114 D120 V121 V122	L71-C118 WeakPolarHBondContact CD1-SG 3.49Å; Y106-C118 HydrophobicContact CD2-CB 4.26Å; N114-C118 VanDerWaalsContact O-CB 3.27Å; N114-C118 WeakPolarHBondContact O-CB 3.46Å; N114-C118 PolarHBondContact O-N 3.24Å; N114-C118 PolarHBondContact O-SG 3.3Å; C118-D120 PolarHBondContact O-N 3.2Å; C118-V121 PolarHBondContact O-N 2.95Å; C118-V122 WeakPolarHBondContact O-CB 3.33Å; C118-V122 WeakPolarHBondContact O-CG2 3.27Å; C118-V122 PolarHBondContact O-N 2.88Å
119	A	58.6	Low	56	Low	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-40.2	178.9	0	0	0	0	0	111.9	Y106 K115 R116 F117 V122 S123 Y138	Y106-A119 HydrophobicContact CE2-CB 3.95Å; K115-A119 WeakPolarHBondContact O-CB 3.44Å; K115-A119 PolarHBondContact O-N 3.41Å; R116-A119 WeakPolarHBondContact O-CB 3.24Å; R116-A119 PolarHBondContact O-N 2.9Å; R116-A119 VanDerWaalsContact O-N 3.11Å; F117-A119 VanDerWaalsContact C-N 3.31Å; A119-V122 PolarHBondContact O-N 2.87Å; A119-S123 WeakPolarHBondContact O-CB 3.2Å; A119-S123 PolarHBondContact O-N 3.46Å; A119-Y138 WeakPolarHBondContact CB-O 3.45Å
120	D	62.1	Low	55.5	Low	7 Å²	7	47.7 Å²	47.7	4%	0.037	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-44.3	177.2	-64.7	-32.4	0	0	0	111.8	R116 F117 C118 S123 V124 G142 S143 W150	R116-D120 PolarHBondContact O-N 2.96Å; F117-D120 PolarHBondContact O-N 3.25Å; C118-D120 PolarHBondContact O-N 3.2Å; D120-S123 PolarHBondContact O-N 3.39Å; D120-S123 PolarHBondContact O-OG 3.33Å; D120-V124 WeakPolarHBondContact O-CG2 3.17Å; D120-V124 PolarHBondContact O-N 3.11Å; D120-V124 VanDerWaalsContact O-N 3.12Å; D120-G142 VanDerWaalsContact OD1-CA 3.24Å; D120-G142 WeakPolarHBondContact OD1-CA 3.21Å; D120-S143 PolarHBondContact OD1-N 3.12Å; D120-S143 PolarHBondContact OD2-N 3.3Å; D120-W150 HydrophobicContact CB-CZ2 4.22Å
121	V	63.1	Low	55.7	Low	4 Å²	4	43.6 Å²	43.6	2%	0.024	25%	0.245	C	C	.	.	H	α-helix	trans	-64.7	-42.4	176	169	0	0	0	0	111.7	L71 L74 F117 C118 S123 V124 L125 W150	L71-V121 HydrophobicContact CD2-CG2 4.31Å; L74-V121 HydrophobicContact CD2-CG1 3.45Å; L74-V121 VanDerWaalsContact CD2-CG1 3.45Å; F117-V121 WeakPolarHBondContact O-CG2 3.47Å; F117-V121 PolarHBondContact O-N 3.04Å; C118-V121 PolarHBondContact O-N 2.95Å; V121-S123 VanDerWaalsContact C-N 3.32Å; V121-V124 PolarHBondContact O-N 3.41Å; V121-L125 HydrophobicContact CG1-CD1 3.83Å; V121-L125 WeakPolarHBondContact O-CD1 3.47Å; V121-L125 WeakPolarHBondContact O-CG 3.42Å; V121-L125 PolarHBondContact O-N 3.27Å; V121-W150 HydrophobicContact CG2-CH2 4.47Å
122	V	64.1	Low	56.2	Low	2 Å²	2	45.6 Å²	45.6	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-65.9	-35.9	176.1	172.9	0	0	0	0	110.7	Y99 L102 C118 A119 V124 L125 A126 Y138	Y99-V122 HydrophobicContact CE2-CG1 4.09Å; L102-V122 HydrophobicContact CB-CG2 4.41Å; C118-V122 WeakPolarHBondContact O-CB 3.33Å; C118-V122 WeakPolarHBondContact O-CG2 3.27Å; C118-V122 PolarHBondContact O-N 2.88Å; A119-V122 PolarHBondContact O-N 2.87Å; V122-V124 VanDerWaalsContact C-N 3.34Å; V122-V124 PolarHBondContact O-N 3.42Å; V122-L125 PolarHBondContact O-N 3.29Å; V122-A126 WeakPolarHBondContact O-CB 3.44Å; V122-A126 PolarHBondContact O-N 2.88Å; V122-Y138 HydrophobicContact CG1-CD1 4.37Å; V122-Y138 HydrophobicContact CG1-CD2 3.58Å; V122-Y138 HydrophobicContact CG1-CE1 4.47Å; V122-Y138 HydrophobicContact CG1-CE2 3.72Å; V122-Y138 HydrophobicContact CG1-CG 3.96Å
123	S	60.4	Low	56	Low	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-39.4	175.5	83	0	0	0	0	112.1	A119 D120 V121 A126 C135 Y154	A119-S123 WeakPolarHBondContact O-CB 3.2Å; A119-S123 PolarHBondContact O-N 3.46Å; D120-S123 PolarHBondContact O-N 3.39Å; D120-S123 PolarHBondContact O-OG 3.33Å; V121-S123 VanDerWaalsContact C-N 3.32Å; S123-A126 WeakPolarHBondContact O-CB 3.48Å; S123-A126 PolarHBondContact O-N 3.39Å; S123-C135 PolarHBondContact O-SG 3.02Å; S123-Y154 PolarHBondContact OG-OH 3.15Å
124	V	62.4	Low	56	Low	3 Å²	3	44.4 Å²	44.4	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-73.6	-32.6	179	169	0	0	0	0	111.5	I78 L92 D120 V121 V122 M127 W150 Y154	I78-V124 HydrophobicContact CG2-CG1 4.16Å; L92-V124 HydrophobicContact CD2-CG1 4.19Å; D120-V124 WeakPolarHBondContact O-CG2 3.17Å; D120-V124 PolarHBondContact O-N 3.11Å; D120-V124 VanDerWaalsContact O-N 3.12Å; V121-V124 PolarHBondContact O-N 3.41Å; V122-V124 VanDerWaalsContact C-N 3.34Å; V122-V124 PolarHBondContact O-N 3.42Å; V124-M127 HydrophobicContact CB-CE 4.14Å; V124-M127 HydrophobicContact CG1-CE 3.72Å; V124-M127 HydrophobicContact CG1-SD 4.42Å; V124-M127 HydrophobicContact CG2-CE 4.21Å; V124-M127 WeakPolarHBondContact O-CB 3.44Å; V124-M127 WeakPolarHBondContact O-CG 3.14Å; V124-M127 PolarHBondContact O-N 3.12Å; V124-W150 HydrophobicContact CB-CE3 4.34Å; V124-W150 HydrophobicContact CB-CZ3 4.33Å; V124-W150 HydrophobicContact CG1-CE3 4.21Å; V124-W150 HydrophobicContact CG1-CZ3 4.29Å; V124-W150 HydrophobicContact CG2-CD2 3.82Å; V124-W150 HydrophobicContact CG2-CE3 3.48Å; V124-W150 VanDerWaalsContact CG2-CE3 3.48Å; V124-W150 HydrophobicContact CG2-CG 4.37Å; V124-W150 HydrophobicContact CG2-CH2 4.37Å; V124-W150 HydrophobicContact CG2-CZ3 3.78Å; V124-Y154 HydrophobicContact CG2-CD2 4.19Å; V124-Y154 HydrophobicContact CG2-CE2 3.89Å
125	L	61.1	Low	56	Low	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-72.6	-31.3	174.6	-79.8	158.3	0	0	0	113.3	L92 L95 Y99 L102 V121 V122 M127 T128	L92-L125 HydrophobicContact CD2-CD2 3.91Å; L92-L125 HydrophobicContact CD2-CG 4.35Å; L95-L125 HydrophobicContact CB-CD2 3.28Å; L95-L125 HydrophobicContact CD1-CD2 3.96Å; L95-L125 HydrophobicContact CG-CD2 4.12Å; Y99-L125 HydrophobicContact CD2-CB 4Å; Y99-L125 HydrophobicContact CE2-CB 4.22Å; L102-L125 HydrophobicContact CD1-CD1 3.95Å; V121-L125 HydrophobicContact CG1-CD1 3.83Å; V121-L125 WeakPolarHBondContact O-CD1 3.47Å; V121-L125 WeakPolarHBondContact O-CG 3.42Å; V121-L125 PolarHBondContact O-N 3.27Å; V122-L125 PolarHBondContact O-N 3.29Å; L125-M127 PolarHBondContact O-N 2.67Å; L125-M127 VanDerWaalsContact O-N 3.11Å; L125-T128 PolarHBondContact O-N 3.43Å; L125-T128 VanDerWaalsContact O-N 3.11Å; L125-T128 PolarHBondContact O-OG1 3.39Å
126	A	58.4	Low	55.9	Low	4 Å²	4	40.4 Å²	40.4	3%	0.033	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-60.7	-16.9	175.8	0	0	0	0	0	113.2	Y99 V122 S123 T128 M129 E134 C135	Y99-A126 HydrophobicContact CE2-CB 4.22Å; V122-A126 WeakPolarHBondContact O-CB 3.44Å; V122-A126 PolarHBondContact O-N 2.88Å; S123-A126 WeakPolarHBondContact O-CB 3.48Å; S123-A126 PolarHBondContact O-N 3.39Å; A126-T128 PolarHBondContact O-N 3.42Å; A126-T128 VanDerWaalsContact O-N 3.16Å; A126-M129 PolarHBondContact O-N 3.25Å; A126-E134 HydrophobicContact CB-CB 4.43Å; A126-C135 HydrophobicContact CB-CB 4.14Å
127	M	56	Low	55.8	Low	35 Å²	35	39.2 Å²	39.2	17%	0.172	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-55.8	-29	170.7	-63.6	172.8	-168.1	0	0	113.8	L92 V124 L125 Y154	L92-M127 HydrophobicContact CD1-SD 4.16Å; V124-M127 HydrophobicContact CB-CE 4.14Å; V124-M127 HydrophobicContact CG1-CE 3.72Å; V124-M127 HydrophobicContact CG1-SD 4.42Å; V124-M127 HydrophobicContact CG2-CE 4.21Å; V124-M127 WeakPolarHBondContact O-CB 3.44Å; V124-M127 WeakPolarHBondContact O-CG 3.14Å; V124-M127 PolarHBondContact O-N 3.12Å; L125-M127 PolarHBondContact O-N 2.67Å; L125-M127 VanDerWaalsContact O-N 3.11Å; M127-Y154 HydrophobicContact CE-CD2 3.13Å; M127-Y154 HydrophobicContact CE-CE2 4.14Å; M127-Y154 HydrophobicContact CE-CG 3.53Å
128	T	55.4	Low	55.5	Low	24 Å²	24	37.8 Å²	37.8	15%	0.147	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-100.2	-12.2	-171.4	59.7	0	0	0	0	114.7	V88 L92 R96 L125 A126	V88-T128 HydrophobicContact CG1-CG2 4.42Å; L92-T128 HydrophobicContact CB-CG2 3.79Å; R96-T128 PolarHBondContact NE-O 3.28Å; L125-T128 PolarHBondContact O-N 3.43Å; L125-T128 VanDerWaalsContact O-N 3.11Å; L125-T128 PolarHBondContact O-OG1 3.39Å; A126-T128 PolarHBondContact O-N 3.42Å; A126-T128 VanDerWaalsContact O-N 3.16Å
129	M	48.8	Very low	55.5	Low	101 Å²	101	39 Å²	39	50%	0.498	20%	0.2	S	C	.	.	S	Bend	trans	-121.1	104.8	176.1	-156.3	-176	-169.2	0	0	106.4	Y99 A126 G131	Y99-M129 HydrophobicContact CD1-SD 3.59Å; Y99-M129 VanDerWaalsContact CD1-SD 3.59Å; Y99-M129 HydrophobicContact CE1-SD 4.06Å; Y99-M129 HydrophobicContact CG-SD 4.39Å; A126-M129 PolarHBondContact O-N 3.25Å; M129-G131 PolarHBondContact O-N 3.49Å
130	S	44.3	Very low	55.4	Low	122 Å²	122	43 Å²	43	85%	0.853	22%	0.221	S	C	*	.			trans	-61	66.5	177.8	-44.5	0	0	0	0	111.7
131	G	45.8	Very low	55.2	Low	29 Å²	29	45.9 Å²	45.9	30%	0.299	24%	0.238	S	C	.	.			trans	-97.6	98.2	164.9	0	0	0	0	0	106.7	M129 R133 E134	M129-G131 PolarHBondContact O-N 3.49Å; G131-R133 PolarHBondContact O-N 3.45Å; G131-E134 PolarHBondContact O-N 2.92Å
132	E	48.4	Very low	54.6	Low	165 Å²	165	46.3 Å²	46.3	77%	0.771	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45	126.3	172.4	-67.3	173.9	159	0	0	109.1
133	R	49.8	Very low	53.6	Low	113 Å²	113	48.6 Å²	48.6	43%	0.426	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	3.6	173	-50.1	153.8	156.3	-174.9	-15.5	117.6	G131 K137 E168	G131-R133 PolarHBondContact O-N 3.45Å; R133-K137 WeakPolarHBondContact O-CB 3.35Å; R133-K137 VanDerWaalsContact O-CD 3.22Å; R133-K137 WeakPolarHBondContact O-CD 3.17Å; R133-K137 WeakPolarHBondContact O-CG 3.48Å; R133-E168 IonicContact CZ-OE1 3.18Å; R133-E168 IonicContact CZ-OE2 3.57Å; R133-E168 VanDerWaalsContact CZ-OE2 3.28Å; R133-E168 IonicContact NE-OE2 3.09Å; R133-E168 PolarHBondContact NE-OE2 2.66Å; R133-E168 IonicContact NH2-OE1 2.68Å; R133-E168 PolarHBondContact NH2-OE1 3.06Å; R133-E168 IonicContact NH2-OE2 3.28Å; R133-E168 PolarHBondContact NH2-OE2 3.29Å
134	E	53.1	Low	53.1	Low	40 Å²	40	57.5 Å²	57.5	19%	0.187	30%	0.301	C	S	.	.	H	α-helix	trans	-84.8	-37.5	-179.9	-70.2	-165.3	155.9	0	0	113.4	Y99 K103 A126 G131 L136 K137 Y138	Y99-E134 VanDerWaalsContact CE1-OE2 3.31Å; Y99-E134 WeakPolarHBondContact CE1-OE2 3.01Å; Y99-E134 PolarHBondContact OH-OE2 3.18Å; K103-E134 IonicContact NZ-OE1 3.2Å; K103-E134 PolarHBondContact NZ-OE1 3.43Å; A126-E134 HydrophobicContact CB-CB 4.43Å; G131-E134 PolarHBondContact O-N 2.92Å; E134-L136 PolarHBondContact O-N 3.28Å; E134-K137 PolarHBondContact O-N 3.46Å; E134-Y138 HydrophobicContact CB-CD2 4.14Å; E134-Y138 HydrophobicContact CB-CE2 3.9Å; E134-Y138 HydrophobicContact CG-CE2 4.23Å; E134-Y138 WeakPolarHBondContact O-CD2 3.33Å; E134-Y138 PolarHBondContact O-N 3.22Å; E134-Y138 VanDerWaalsContact O-N 3.09Å
135	C	53.8	Low	52.5	Low	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-44.9	-180	-167.7	0	0	0	0	111.3	S123 A126 R139 E161	S123-C135 PolarHBondContact O-SG 3.02Å; A126-C135 HydrophobicContact CB-CB 4.14Å; C135-R139 WeakPolarHBondContact O-CB 3.24Å; C135-R139 PolarHBondContact O-N 3.28Å; C135-E161 WeakPolarHBondContact CB-OE1 3.22Å; C135-E161 WeakPolarHBondContact CB-OE2 3.31Å
136	L	55.7	Low	51.9	Low	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-67.6	-44.2	178.4	-155.3	88.5	0	0	0	113.5	E134 Y138 R139 L140 L158 E161 V162 E165 L180 L183	E134-L136 PolarHBondContact O-N 3.28Å; L136-Y138 VanDerWaalsContact C-N 3.31Å; L136-Y138 PolarHBondContact O-N 3.12Å; L136-R139 PolarHBondContact O-N 3.47Å; L136-L140 HydrophobicContact CD2-CD1 3.75Å; L136-L140 HydrophobicContact CG-CD1 4.04Å; L136-L140 HydrophobicContact CG-CG 4.49Å; L136-L140 WeakPolarHBondContact O-CB 3.4Å; L136-L140 WeakPolarHBondContact O-CG 3.4Å; L136-L140 PolarHBondContact O-N 2.95Å; L136-L158 HydrophobicContact CD1-CD1 4.5Å; L136-E161 PolarHBondContact N-OE2 3.37Å; L136-V162 HydrophobicContact CD1-CB 4.49Å; L136-V162 HydrophobicContact CD1-CG2 3.35Å; L136-E165 HydrophobicContact CD2-CB 4.27Å; L136-E165 HydrophobicContact CD2-CG 4.12Å; L136-E165 WeakPolarHBondContact CD2-OE1 3.44Å; L136-E165 WeakPolarHBondContact CD2-OE2 3.48Å; L136-L180 HydrophobicContact CD1-CD2 4.47Å; L136-L180 HydrophobicContact CD2-CD2 3.49Å; L136-L180 VanDerWaalsContact CD2-CD2 3.49Å; L136-L183 HydrophobicContact CD1-CD2 3.83Å
137	K	57.4	Low	51.8	Low	115 Å²	115	68 Å²	68	50%	0.5	35%	0.349	S	S	.	.	H	α-helix	trans	-59.7	-41.1	178.4	-77.8	176.4	-172.2	170.5	0	112.4	R133 E134 V141	R133-K137 WeakPolarHBondContact O-CB 3.35Å; R133-K137 VanDerWaalsContact O-CD 3.22Å; R133-K137 WeakPolarHBondContact O-CD 3.17Å; R133-K137 WeakPolarHBondContact O-CG 3.48Å; E134-K137 PolarHBondContact O-N 3.46Å; K137-V141 VanDerWaalsContact O-CG2 3.3Å; K137-V141 WeakPolarHBondContact O-CG2 3.39Å; K137-V141 PolarHBondContact O-N 2.96Å
138	Y	53.8	Low	51.6	Low	24 Å²	24	69.2 Å²	69.2	9%	0.094	36%	0.364	C	S	.	.	H	α-helix	trans	-75.8	-29.5	178.5	-67.2	-60.1	0	0	0	112.3	Y106 A119 V122 E134 L136 V141 G142	Y106-Y138 AromaticContact CD1-CE1 3.78Å; Y106-Y138 HydrophobicContact CD1-CE1 3.78Å; Y106-Y138 HydrophobicContact CE1-CD1 4.03Å; Y106-Y138 AromaticContact CE1-CE1 3.46Å; Y106-Y138 HydrophobicContact CE1-CE1 3.46Å; Y106-Y138 VanDerWaalsContact CE1-CE1 3.46Å; Y106-Y138 HydrophobicContact CE2-CD1 4.34Å; Y106-Y138 HydrophobicContact CE2-CE1 4.47Å; Y106-Y138 HydrophobicContact CG-CE1 4.41Å; Y106-Y138 AromaticContact CZ-CD1 3.88Å; Y106-Y138 AromaticContact CZ-CE1 3.82Å; A119-Y138 WeakPolarHBondContact CB-O 3.45Å; V122-Y138 HydrophobicContact CG1-CD1 4.37Å; V122-Y138 HydrophobicContact CG1-CD2 3.58Å; V122-Y138 HydrophobicContact CG1-CE1 4.47Å; V122-Y138 HydrophobicContact CG1-CE2 3.72Å; V122-Y138 HydrophobicContact CG1-CG 3.96Å; E134-Y138 HydrophobicContact CB-CD2 4.14Å; E134-Y138 HydrophobicContact CB-CE2 3.9Å; E134-Y138 HydrophobicContact CG-CE2 4.23Å; E134-Y138 WeakPolarHBondContact O-CD2 3.33Å; E134-Y138 PolarHBondContact O-N 3.22Å; E134-Y138 VanDerWaalsContact O-N 3.09Å; L136-Y138 VanDerWaalsContact C-N 3.31Å; L136-Y138 PolarHBondContact O-N 3.12Å; Y138-V141 CarbonylContact O-C 3.39Å; Y138-V141 PolarHBondContact O-N 3.11Å; Y138-G142 PolarHBondContact O-N 2.96Å
139	R	53	Low	51.7	Low	30 Å²	30	69.7 Å²	69.7	11%	0.113	37%	0.369	C	S	.	.	H	α-helix	trans	-73.5	-36.6	173.3	-165.3	179.1	-169.4	156.8	18	113.8	C135 L136 V141 G142 Y154 L158	C135-R139 WeakPolarHBondContact O-CB 3.24Å; C135-R139 PolarHBondContact O-N 3.28Å; L136-R139 PolarHBondContact O-N 3.47Å; R139-V141 PolarHBondContact O-N 3.03Å; R139-G142 PolarHBondContact O-N 3.12Å; R139-G142 VanDerWaalsContact O-N 3.07Å; R139-Y154 WeakPolarHBondContact CD-OH 3.39Å; R139-Y154 VanDerWaalsContact CZ-CE1 3.49Å; R139-Y154 VanDerWaalsContact NH1-CE1 3.29Å; R139-L158 HydrophobicContact CB-CD1 4.47Å; R139-L158 HydrophobicContact CG-CD1 4.48Å
140	L	57.7	Low	52.1	Low	84 Å²	84	65.3 Å²	65.3	44%	0.44	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-26.4	171.7	-80.4	158.7	0	0	0	112.2	L136 T179	L136-L140 HydrophobicContact CD2-CD1 3.75Å; L136-L140 HydrophobicContact CG-CD1 4.04Å; L136-L140 HydrophobicContact CG-CG 4.49Å; L136-L140 WeakPolarHBondContact O-CB 3.4Å; L136-L140 WeakPolarHBondContact O-CG 3.4Å; L136-L140 PolarHBondContact O-N 2.95Å; L140-T179 HydrophobicContact CD2-CG2 4.43Å
141	V	56.1	Low	52.9	Low	68 Å²	68	60.3 Å²	60.3	41%	0.412	32%	0.315	S	S	.	.	H	α-helix	trans	-93.3	-17.9	175.5	-179.3	0	0	0	0	112.4	Y106 K137 Y138 R139	Y106-V141 VanDerWaalsContact OH-CG1 3.32Å; Y106-V141 WeakPolarHBondContact OH-CG1 3.49Å; K137-V141 VanDerWaalsContact O-CG2 3.3Å; K137-V141 WeakPolarHBondContact O-CG2 3.39Å; K137-V141 PolarHBondContact O-N 2.96Å; Y138-V141 CarbonylContact O-C 3.39Å; Y138-V141 PolarHBondContact O-N 3.11Å; R139-V141 PolarHBondContact O-N 3.03Å
142	G	50.5	Low	53.7	Low	12 Å²	12	62 Å²	62	12%	0.124	32%	0.315	C	S	.	.	S	Bend	trans	-70.8	171.2	-178.2	0	0	0	0	0	114.8	D120 Y138 R139	D120-G142 VanDerWaalsContact OD1-CA 3.24Å; D120-G142 WeakPolarHBondContact OD1-CA 3.21Å; Y138-G142 PolarHBondContact O-N 2.96Å; R139-G142 PolarHBondContact O-N 3.12Å; R139-G142 VanDerWaalsContact O-N 3.07Å
143	S	44.9	Very low	54.4	Low	50 Å²	50	58.1 Å²	58.1	35%	0.35	30%	0.297	S	S	.	.			trans	-77.3	132.2	178.3	-166.3	0	0	0	0	108.8	D120 E145	D120-S143 PolarHBondContact OD1-N 3.12Å; D120-S143 PolarHBondContact OD2-N 3.3Å; S143-E145 PolarHBondContact O-N 3.26Å
144	Q	48.8	Very low	55.2	Low	187 Å²	187	52.9 Å²	52.9	87%	0.874	28%	0.277	S	S	*	.			trans	-62.7	67.8	177.9	-64.6	177	-24.4	0	0	111.8
145	E	49	Very low	55.8	Low	68 Å²	68	51 Å²	51	32%	0.318	27%	0.268	S	S	.	.			trans	-110.4	145.6	-175.6	-160.8	173.4	-164.4	0	0	111.4	R75 S143 L147	R75-E145 IonicContact CZ-OE1 3.54Å; R75-E145 IonicContact CZ-OE2 3.28Å; R75-E145 IonicContact NH1-OE1 3.95Å; R75-E145 IonicContact NH1-OE2 3.79Å; R75-E145 IonicContact NH2-OE1 3.2Å; R75-E145 PolarHBondContact NH2-OE1 3.02Å; R75-E145 IonicContact NH2-OE2 2.69Å; R75-E145 PolarHBondContact NH2-OE2 3.35Å; S143-E145 PolarHBondContact O-N 3.26Å; E145-L147 PolarHBondContact O-N 3.07Å
146	E	49.3	Very low	56.3	Low	155 Å²	155	58.7 Å²	58.7	72%	0.724	30%	0.297	S	S	*	.			trans	-55.4	124.6	-167.5	-66.7	175.4	171.7	0	0	113.1	A148 S149	E146-A148 PolarHBondContact O-N 3.42Å; E146-S149 PolarHBondContact O-N 2.79Å; E146-S149 PolarHBondContact O-OG 3.09Å
147	L	56.3	Low	56.9	Low	7 Å²	7	62.2 Å²	62.2	4%	0.037	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-48.3	-31.8	178	-107.5	85.8	0	0	0	113.9	E145 S149 W150 V155 L183 E186 I187	E145-L147 PolarHBondContact O-N 3.07Å; L147-S149 PolarHBondContact O-N 2.74Å; L147-W150 PolarHBondContact O-N 3.33Å; L147-V155 HydrophobicContact CB-CG2 4.39Å; L147-V155 HydrophobicContact CD2-CB 4.28Å; L147-V155 HydrophobicContact CD2-CG1 3.75Å; L147-V155 HydrophobicContact CD2-CG2 3.66Å; L147-V155 HydrophobicContact CG-CG2 4.2Å; L147-L183 HydrophobicContact CD1-CD1 4.32Å; L147-E186 HydrophobicContact CD1-CB 4.24Å; L147-I187 HydrophobicContact CD2-CB 4.15Å; L147-I187 HydrophobicContact CD2-CG1 3.34Å
148	A	51.5	Low	57.4	Low	59 Å²	59	56.8 Å²	56.8	49%	0.488	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-60	-19.7	-176.3	0	0	0	0	0	113.9	E146 Y190	E146-A148 PolarHBondContact O-N 3.42Å; A148-Y190 VanDerWaalsContact CA-CE2 3.44Å; A148-Y190 HydrophobicContact CB-CD2 4.07Å; A148-Y190 HydrophobicContact CB-CE2 3.64Å
149	S	57.4	Low	57.9	Low	34 Å²	34	56.1 Å²	56.1	24%	0.238	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-87.8	-5.3	-171.7	71.4	0	0	0	0	115.2	R79 E146 L147	R79-S149 WeakPolarHBondContact CG-O 3.35Å; R79-S149 PolarHBondContact NE-O 2.99Å; R79-S149 PolarHBondContact NH2-OG 3.27Å; E146-S149 PolarHBondContact O-N 2.79Å; E146-S149 PolarHBondContact O-OG 3.09Å; L147-S149 PolarHBondContact O-N 2.74Å
150	W	56.9	Low	58.6	Low	9 Å²	9	56.5 Å²	56.5	3%	0.034	30%	0.303	C	S	.	.	S	Bend	trans	-117.9	-0.9	-175.4	-64.2	104.1	0	0	0	114.4	R75 I78 D120 V121 V124 L147 Y154	R75-W150 HydrophobicContact CB-CH2 4.37Å; R75-W150 HydrophobicContact CG-CH2 3.75Å; R75-W150 HydrophobicContact CG-CZ2 4.21Å; R75-W150 HydrophobicContact CG-CZ3 4.39Å; I78-W150 HydrophobicContact CG2-CE3 4.38Å; I78-W150 HydrophobicContact CG2-CZ3 4.12Å; D120-W150 HydrophobicContact CB-CZ2 4.22Å; V121-W150 HydrophobicContact CG2-CH2 4.47Å; V124-W150 HydrophobicContact CB-CE3 4.34Å; V124-W150 HydrophobicContact CB-CZ3 4.33Å; V124-W150 HydrophobicContact CG1-CE3 4.21Å; V124-W150 HydrophobicContact CG1-CZ3 4.29Å; V124-W150 HydrophobicContact CG2-CD2 3.82Å; V124-W150 HydrophobicContact CG2-CE3 3.48Å; V124-W150 VanDerWaalsContact CG2-CE3 3.48Å; V124-W150 HydrophobicContact CG2-CG 4.37Å; V124-W150 HydrophobicContact CG2-CH2 4.37Å; V124-W150 HydrophobicContact CG2-CZ3 3.78Å; L147-W150 PolarHBondContact O-N 3.33Å; W150-Y154 HydrophobicContact CB-CD1 3.48Å; W150-Y154 VanDerWaalsContact CB-CD1 3.48Å; W150-Y154 HydrophobicContact CB-CE1 4.02Å; W150-Y154 HydrophobicContact CB-CG 4.04Å; W150-Y154 HydrophobicContact CG-CD1 4.2Å; W150-Y154 HydrophobicContact CG-CE1 4.25Å
151	G	61.6	Low	59.1	Low	18 Å²	18	53.8 Å²	53.8	19%	0.186	29%	0.288	C	S	.	.			trans	87	163.7	171.9	0	0	0	0	0	115.4	E153 Y154 V155	G151-E153 PolarHBondContact O-N 3.13Å; G151-Y154 WeakPolarHBondContact O-CB 3.37Å; G151-Y154 PolarHBondContact O-N 3.11Å; G151-V155 PolarHBondContact O-N 3.45Å
152	H	62.8	Low	59.7	Low	64 Å²	64	50.5 Å²	50.5	30%	0.296	27%	0.268	S	S	.	.	H	α-helix	trans	-61.8	-38.3	-173.8	-82.6	-60	0	0	0	114.6	Y154 V155 R156 Y190 H194	H152-Y154 VanDerWaalsContact C-N 3.28Å; H152-Y154 PolarHBondContact O-N 3.28Å; H152-V155 PolarHBondContact O-N 3.32Å; H152-R156 WeakPolarHBondContact O-CB 3.35Å; H152-R156 PolarHBondContact O-N 3.26Å; H152-Y190 AromaticContact CE1-CE1 3.42Å; H152-Y190 VanDerWaalsContact CE1-CE1 3.42Å; H152-Y190 WeakPolarHBondContact CE1-CE1 3.28Å; H152-Y190 AromaticContact CE1-CZ 3.65Å; H152-Y190 PolarHBondContact CE1-OH 3.36Å; H152-Y190 AromaticContact ND1-CE1 3.56Å; H152-H194 WeakPolarHBondContact CE1-CB 3.49Å; H152-H194 AromaticContact CE1-CD2 3.44Å; H152-H194 PolarHBondContact CE1-CD2 3.11Å; H152-H194 VanDerWaalsContact CE1-CD2 3.44Å; H152-H194 AromaticContact CE1-CG 3.23Å; H152-H194 AromaticContact CE1-ND1 3.92Å; H152-H194 AromaticContact NE2-CD2 3.68Å; H152-H194 AromaticContact NE2-CE1 3.95Å; H152-H194 AromaticContact NE2-CG 3.28Å; H152-H194 VanDerWaalsContact NE2-CG 3.28Å; H152-H194 AromaticContact NE2-ND1 3.47Å; H152-H194 PolarHBondContact NE2-ND1 3.31Å
153	E	63.3	Low	60.3	Low	84 Å²	84	50.5 Å²	50.5	39%	0.393	27%	0.267	S	S	.	.	H	α-helix	trans	-64.7	-33.1	179.6	-66.1	-174.3	162.3	0	0	112.4	G151 H157	G151-E153 PolarHBondContact O-N 3.13Å; E153-H157 WeakPolarHBondContact O-CB 3.49Å; E153-H157 PolarHBondContact O-N 3.36Å
154	Y	65.6	Low	61.4	Low	3 Å²	3	54.5 Å²	54.5	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-66.6	-47.1	174.2	-177.7	-126.3	0	0	0	111.9	S123 V124 M127 R139 W150 G151 H152 R156 H157 L158	S123-Y154 PolarHBondContact OG-OH 3.15Å; V124-Y154 HydrophobicContact CG2-CD2 4.19Å; V124-Y154 HydrophobicContact CG2-CE2 3.89Å; M127-Y154 HydrophobicContact CE-CD2 3.13Å; M127-Y154 HydrophobicContact CE-CE2 4.14Å; M127-Y154 HydrophobicContact CE-CG 3.53Å; R139-Y154 WeakPolarHBondContact CD-OH 3.39Å; R139-Y154 VanDerWaalsContact CZ-CE1 3.49Å; R139-Y154 VanDerWaalsContact NH1-CE1 3.29Å; W150-Y154 HydrophobicContact CB-CD1 3.48Å; W150-Y154 VanDerWaalsContact CB-CD1 3.48Å; W150-Y154 HydrophobicContact CB-CE1 4.02Å; W150-Y154 HydrophobicContact CB-CG 4.04Å; W150-Y154 HydrophobicContact CG-CD1 4.2Å; W150-Y154 HydrophobicContact CG-CE1 4.25Å; G151-Y154 WeakPolarHBondContact O-CB 3.37Å; G151-Y154 PolarHBondContact O-N 3.11Å; H152-Y154 VanDerWaalsContact C-N 3.28Å; H152-Y154 PolarHBondContact O-N 3.28Å; Y154-R156 VanDerWaalsContact C-N 3.27Å; Y154-R156 PolarHBondContact O-N 2.89Å; Y154-H157 PolarHBondContact O-N 3.09Å; Y154-L158 HydrophobicContact CE2-CD1 4.33Å; Y154-L158 WeakPolarHBondContact O-CB 3.18Å; Y154-L158 PolarHBondContact O-N 3.41Å
155	V	65.9	Low	62.2	Low	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.1	-38.8	-179.7	-177.9	0	0	0	0	110.3	L147 G151 H152 A159 I187 Y190 N191	L147-V155 HydrophobicContact CB-CG2 4.39Å; L147-V155 HydrophobicContact CD2-CB 4.28Å; L147-V155 HydrophobicContact CD2-CG1 3.75Å; L147-V155 HydrophobicContact CD2-CG2 3.66Å; L147-V155 HydrophobicContact CG-CG2 4.2Å; G151-V155 PolarHBondContact O-N 3.45Å; H152-V155 PolarHBondContact O-N 3.32Å; V155-A159 WeakPolarHBondContact O-CB 3.48Å; V155-A159 PolarHBondContact O-N 3.28Å; V155-I187 HydrophobicContact CG1-CG1 4.49Å; V155-I187 HydrophobicContact CG1-CG2 3.81Å; V155-Y190 HydrophobicContact CB-CD1 4.4Å; V155-Y190 HydrophobicContact CB-CE1 4.25Å; V155-Y190 HydrophobicContact CG1-CD1 4.07Å; V155-Y190 HydrophobicContact CG1-CE1 4.4Å; V155-Y190 HydrophobicContact CG2-CD1 3.99Å; V155-Y190 HydrophobicContact CG2-CE1 3.71Å; V155-N191 VanDerWaalsContact CG1-OD1 3.29Å; V155-N191 WeakPolarHBondContact CG1-OD1 3.21Å
156	R	65.6	Low	62.9	Low	162 Å²	162	45.5 Å²	45.5	61%	0.611	23%	0.234	S	C	*	.	H	α-helix	trans	-66	-48.6	176	-174.3	177.3	176.8	164.8	4.9	113.4	H152 Y154 L158 A159 G160 E199	H152-R156 WeakPolarHBondContact O-CB 3.35Å; H152-R156 PolarHBondContact O-N 3.26Å; Y154-R156 VanDerWaalsContact C-N 3.27Å; Y154-R156 PolarHBondContact O-N 2.89Å; R156-L158 VanDerWaalsContact C-N 3.29Å; R156-L158 PolarHBondContact O-N 2.85Å; R156-A159 PolarHBondContact O-N 2.88Å; R156-G160 PolarHBondContact O-N 3.22Å; R156-E199 WeakPolarHBondContact CD-OE1 3.33Å; R156-E199 IonicContact CZ-OE1 3.16Å; R156-E199 IonicContact NE-OE1 2.74Å; R156-E199 PolarHBondContact NE-OE1 3.44Å; R156-E199 IonicContact NH1-OE1 3.42Å
157	H	67.6	Low	63.5	Low	74 Å²	74	44.3 Å²	44.3	34%	0.343	23%	0.229	S	C	.	.	H	α-helix	trans	-64.1	-40.3	178.6	-164.2	-87.9	0	0	0	111.1	E153 Y154 G160 E161	E153-H157 WeakPolarHBondContact O-CB 3.49Å; E153-H157 PolarHBondContact O-N 3.36Å; Y154-H157 PolarHBondContact O-N 3.09Å; H157-G160 PolarHBondContact O-N 3.35Å; H157-E161 IonicContact CE1-OE1 3.87Å; H157-E161 PolarHBondContact CE1-OE1 3.04Å; H157-E161 IonicContact ND1-OE1 2.89Å; H157-E161 PolarHBondContact ND1-OE1 3.49Å; H157-E161 PolarHBondContact O-N 3.06Å
158	L	67.3	Low	63.8	Low	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.3	-42.1	177.6	-171.2	114	0	0	0	112.3	L136 R139 Y154 R156 G160 E161 V162 L183 I187	L136-L158 HydrophobicContact CD1-CD1 4.5Å; R139-L158 HydrophobicContact CB-CD1 4.47Å; R139-L158 HydrophobicContact CG-CD1 4.48Å; Y154-L158 HydrophobicContact CE2-CD1 4.33Å; Y154-L158 WeakPolarHBondContact O-CB 3.18Å; Y154-L158 PolarHBondContact O-N 3.41Å; R156-L158 VanDerWaalsContact C-N 3.29Å; R156-L158 PolarHBondContact O-N 2.85Å; L158-G160 VanDerWaalsContact C-N 3.3Å; L158-G160 PolarHBondContact O-N 2.77Å; L158-E161 PolarHBondContact O-N 3.47Å; L158-V162 HydrophobicContact CD2-CG2 4.14Å; L158-V162 HydrophobicContact CG-CG2 4.34Å; L158-V162 WeakPolarHBondContact O-CB 3.46Å; L158-V162 WeakPolarHBondContact O-CG2 3.41Å; L158-V162 PolarHBondContact O-N 3.33Å; L158-L183 HydrophobicContact CD2-CD1 4.28Å; L158-L183 HydrophobicContact CD2-CD2 3.93Å; L158-L183 HydrophobicContact CD2-CG 4.15Å; L158-I187 HydrophobicContact CD2-CD1 3.57Å; L158-I187 HydrophobicContact CD2-CG1 4.29Å
159	A	64.4	Low	64.2	Low	11 Å²	11	48 Å²	48	9%	0.091	24%	0.237	C	C	.	.	H	α-helix	trans	-58	-43.7	173.2	0	0	0	0	0	111.2	V155 R156 E161 V162 A163 L203	V155-A159 WeakPolarHBondContact O-CB 3.48Å; V155-A159 PolarHBondContact O-N 3.28Å; R156-A159 PolarHBondContact O-N 2.88Å; A159-E161 PolarHBondContact O-N 2.87Å; A159-V162 PolarHBondContact O-N 2.95Å; A159-A163 WeakPolarHBondContact O-CB 3.5Å; A159-A163 PolarHBondContact O-N 3.17Å; A159-L203 HydrophobicContact CB-CD1 4.03Å; A159-L203 HydrophobicContact CB-CD2 4.03Å; A159-L203 HydrophobicContact CB-CG 4.49Å; A159-L203 WeakPolarHBondContact O-CD1 3.24Å
160	G	68.1	Low	63.6	Low	38 Å²	38	54 Å²	54	39%	0.392	26%	0.262	S	S	.	.	H	α-helix	trans	-64.9	-34.1	175.8	0	0	0	0	0	114.1	R156 H157 L158 K164	R156-G160 PolarHBondContact O-N 3.22Å; H157-G160 PolarHBondContact O-N 3.35Å; L158-G160 VanDerWaalsContact C-N 3.3Å; L158-G160 PolarHBondContact O-N 2.77Å; G160-K164 WeakPolarHBondContact O-CG 3.12Å; G160-K164 PolarHBondContact O-N 3.24Å
161	E	68.3	Low	63.4	Low	26 Å²	26	61.9 Å²	61.9	12%	0.121	30%	0.299	C	S	.	.	H	α-helix	trans	-74.5	-40.5	173.7	-76.7	-172.1	-145.6	0	0	112.9	C135 L136 H157 L158 A159 A163 K164 E165	C135-E161 WeakPolarHBondContact CB-OE1 3.22Å; C135-E161 WeakPolarHBondContact CB-OE2 3.31Å; L136-E161 PolarHBondContact N-OE2 3.37Å; H157-E161 IonicContact CE1-OE1 3.87Å; H157-E161 PolarHBondContact CE1-OE1 3.04Å; H157-E161 IonicContact ND1-OE1 2.89Å; H157-E161 PolarHBondContact ND1-OE1 3.49Å; H157-E161 PolarHBondContact O-N 3.06Å; L158-E161 PolarHBondContact O-N 3.47Å; A159-E161 PolarHBondContact O-N 2.87Å; E161-A163 VanDerWaalsContact C-N 3.3Å; E161-A163 PolarHBondContact O-N 3.02Å; E161-K164 PolarHBondContact O-N 3.13Å; E161-E165 WeakPolarHBondContact O-CB 3.1Å; E161-E165 PolarHBondContact O-N 3.46Å
162	V	67.8	Low	62.5	Low	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-44.3	174.3	167.8	0	0	0	0	110.3	L136 L158 A159 E165 W166 L180 L183 V184 L203 I207	L136-V162 HydrophobicContact CD1-CB 4.49Å; L136-V162 HydrophobicContact CD1-CG2 3.35Å; L158-V162 HydrophobicContact CD2-CG2 4.14Å; L158-V162 HydrophobicContact CG-CG2 4.34Å; L158-V162 WeakPolarHBondContact O-CB 3.46Å; L158-V162 WeakPolarHBondContact O-CG2 3.41Å; L158-V162 PolarHBondContact O-N 3.33Å; A159-V162 PolarHBondContact O-N 2.95Å; V162-E165 PolarHBondContact O-N 3.14Å; V162-W166 WeakPolarHBondContact O-CB 3.39Å; V162-W166 PolarHBondContact O-N 3.42Å; V162-L180 HydrophobicContact CG1-CD2 4.23Å; V162-L180 HydrophobicContact CG2-CD2 4.48Å; V162-L183 HydrophobicContact CG2-CD2 3.72Å; V162-V184 HydrophobicContact CG1-CG2 3.84Å; V162-L203 HydrophobicContact CB-CD1 4.49Å; V162-L203 HydrophobicContact CG1-CD1 4.28Å; V162-I207 HydrophobicContact CG1-CD1 3.97Å
163	A	63.6	Low	62	Low	12 Å²	12	69 Å²	69	10%	0.099	34%	0.335	C	S	.	.	H	α-helix	trans	-60.5	-46.7	177	0	0	0	0	0	111.9	A159 E161 E165 W166 Q167 L203 E206	A159-A163 WeakPolarHBondContact O-CB 3.5Å; A159-A163 PolarHBondContact O-N 3.17Å; E161-A163 VanDerWaalsContact C-N 3.3Å; E161-A163 PolarHBondContact O-N 3.02Å; A163-E165 PolarHBondContact O-N 3.2Å; A163-W166 PolarHBondContact O-N 3.26Å; A163-Q167 WeakPolarHBondContact O-CG 3.33Å; A163-Q167 PolarHBondContact O-N 2.81Å; A163-Q167 VanDerWaalsContact O-N 3.14Å; A163-L203 HydrophobicContact CB-CD1 4.42Å; A163-E206 HydrophobicContact CB-CB 3.82Å; A163-E206 HydrophobicContact CB-CG 4.18Å
164	K	68.3	Low	61.7	Low	133 Å²	133	72.3 Å²	72.3	58%	0.578	35%	0.348	S	S	*	.	H	α-helix	trans	-64.7	-39.5	177.4	-72.4	178.2	-179.7	-174.5	0	112.9	G160 E161 W166 Q167 E168	G160-K164 WeakPolarHBondContact O-CG 3.12Å; G160-K164 PolarHBondContact O-N 3.24Å; E161-K164 PolarHBondContact O-N 3.13Å; K164-W166 VanDerWaalsContact C-N 3.35Å; K164-Q167 PolarHBondContact O-N 3.48Å; K164-E168 PolarHBondContact O-N 2.78Å
165	E	65.2	Low	61.3	Low	29 Å²	29	75.6 Å²	75.6	14%	0.136	38%	0.376	C	S	.	.	H	α-helix	trans	-69.8	-35.9	178.1	-167.8	158	155.2	0	0	111.3	L136 E161 V162 A163 Q167 E168 V169	L136-E165 HydrophobicContact CD2-CB 4.27Å; L136-E165 HydrophobicContact CD2-CG 4.12Å; L136-E165 WeakPolarHBondContact CD2-OE1 3.44Å; L136-E165 WeakPolarHBondContact CD2-OE2 3.48Å; E161-E165 WeakPolarHBondContact O-CB 3.1Å; E161-E165 PolarHBondContact O-N 3.46Å; V162-E165 PolarHBondContact O-N 3.14Å; A163-E165 PolarHBondContact O-N 3.2Å; E165-Q167 PolarHBondContact O-N 2.9Å; E165-E168 PolarHBondContact O-N 3.1Å; E165-V169 HydrophobicContact CG-CG2 4.3Å; E165-V169 WeakPolarHBondContact O-CG2 3.34Å; E165-V169 PolarHBondContact O-N 3.24Å; E165-V169 VanDerWaalsContact O-N 3.08Å
166	W	63.4	Low	60.9	Low	37 Å²	37	79.6 Å²	79.6	14%	0.14	39%	0.394	C	S	.	.	H	α-helix	trans	-61.9	-41.1	174.1	-167.2	-92.6	0	0	0	112.6	V162 A163 K164 E168 Q177 L180 L181 I207	V162-W166 WeakPolarHBondContact O-CB 3.39Å; V162-W166 PolarHBondContact O-N 3.42Å; A163-W166 PolarHBondContact O-N 3.26Å; K164-W166 VanDerWaalsContact C-N 3.35Å; W166-E168 VanDerWaalsContact C-N 3.3Å; W166-E168 PolarHBondContact O-N 3.37Å; W166-Q177 HydrophobicContact CH2-CB 3.77Å; W166-Q177 HydrophobicContact CH2-CG 3.87Å; W166-Q177 HydrophobicContact CZ2-CG 4.45Å; W166-Q177 HydrophobicContact CZ3-CB 3.83Å; W166-Q177 HydrophobicContact CZ3-CG 3.93Å; W166-L180 HydrophobicContact CE3-CB 3.88Å; W166-L180 HydrophobicContact CE3-CD1 3.81Å; W166-L180 HydrophobicContact CE3-CG 4.46Å; W166-L180 HydrophobicContact CZ3-CB 3.86Å; W166-L180 HydrophobicContact CZ3-CD1 4.29Å; W166-L181 HydrophobicContact CH2-CD1 4.09Å; W166-I207 HydrophobicContact CB-CG1 4.32Å; W166-I207 HydrophobicContact CD2-CG1 4.22Å; W166-I207 HydrophobicContact CD2-CG2 4.06Å; W166-I207 HydrophobicContact CE3-CG2 4.38Å; W166-I207 HydrophobicContact CG-CG1 4.03Å; W166-I207 HydrophobicContact CH2-CG2 4.33Å; W166-I207 HydrophobicContact CZ2-CG2 3.99Å; W166-I207 PolarHBondContact NE1-O 3.42Å
167	Q	62.2	Low	60.6	Low	130 Å²	130	74 Å²	74	61%	0.607	38%	0.376	S	S	*	.	H	α-helix	trans	-68.3	-25.3	176	-70.3	-178.8	-9.5	0	0	113.8	A163 K164 E165 E206	A163-Q167 WeakPolarHBondContact O-CG 3.33Å; A163-Q167 PolarHBondContact O-N 2.81Å; A163-Q167 VanDerWaalsContact O-N 3.14Å; K164-Q167 PolarHBondContact O-N 3.48Å; E165-Q167 PolarHBondContact O-N 2.9Å; Q167-E206 PolarHBondContact NE2-OE2 3.25Å
168	E	63.5	Low	60.4	Low	119 Å²	119	75.4 Å²	75.4	56%	0.556	39%	0.386	S	S	*	.	H	α-helix	trans	-96.5	-14	-175	-143.4	177.9	175.7	0	0	113.2	R133 K164 E165 W166 E170	R133-E168 IonicContact CZ-OE1 3.18Å; R133-E168 IonicContact CZ-OE2 3.57Å; R133-E168 VanDerWaalsContact CZ-OE2 3.28Å; R133-E168 IonicContact NE-OE2 3.09Å; R133-E168 PolarHBondContact NE-OE2 2.66Å; R133-E168 IonicContact NH2-OE1 2.68Å; R133-E168 PolarHBondContact NH2-OE1 3.06Å; R133-E168 IonicContact NH2-OE2 3.28Å; R133-E168 PolarHBondContact NH2-OE2 3.29Å; K164-E168 PolarHBondContact O-N 2.78Å; E165-E168 PolarHBondContact O-N 3.1Å; W166-E168 VanDerWaalsContact C-N 3.3Å; W166-E168 PolarHBondContact O-N 3.37Å; E168-E170 PolarHBondContact O-N 3.12Å
169	V	60.7	Low	60.3	Low	25 Å²	25	78.3 Å²	78.3	15%	0.152	40%	0.403	C	S	.	.	S	Bend	trans	-78.2	111.6	174.8	170.7	0	0	0	0	109.5	E165 D173 Q177	E165-V169 HydrophobicContact CG-CG2 4.3Å; E165-V169 WeakPolarHBondContact O-CG2 3.34Å; E165-V169 PolarHBondContact O-N 3.24Å; E165-V169 VanDerWaalsContact O-N 3.08Å; V169-D173 HydrophobicContact CG1-CB 4.11Å; V169-Q177 HydrophobicContact CG1-CG 4.29Å
170	E	43.8	Very low	60.3	Low	161 Å²	161	77.9 Å²	77.9	75%	0.752	40%	0.399	S	S	*	.			trans	-60.7	148.2	168.6	-71.5	-175	166.4	0	0	111	E168 N172 D173	E168-E170 PolarHBondContact O-N 3.12Å; E170-N172 PolarHBondContact O-N 3.21Å; E170-D173 PolarHBondContact O-N 3.07Å
171	E	52.4	Low	60.2	Low	173 Å²	173	76.8 Å²	76.8	81%	0.808	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-4.6	-174.7	-76.2	-175.1	128.9	0	0	117.5
172	N	42	Very low	60.3	Low	145 Å²	145	82 Å²	82	78%	0.775	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-12.9	-174.3	-74.8	-45.7	0	0	0	115.5	E170 K174	E170-N172 PolarHBondContact O-N 3.21Å; N172-K174 PolarHBondContact O-N 2.96Å
173	D	52.6	Low	60.3	Low	87 Å²	87	83.1 Å²	83.1	47%	0.465	41%	0.412	S	S	.	.			trans	-101.5	64.5	-177.3	-97.7	-37.1	0	0	0	114.1	V169 E170 A175 Q176 Q177	V169-D173 HydrophobicContact CG1-CB 4.11Å; E170-D173 PolarHBondContact O-N 3.07Å; D173-A175 PolarHBondContact O-N 2.85Å; D173-A175 VanDerWaalsContact O-N 3.09Å; D173-Q176 HydrophobicContact CB-CB 4.36Å; D173-Q176 HydrophobicContact CB-CG 4.49Å; D173-Q176 PolarHBondContact O-N 3.18Å; D173-Q176 VanDerWaalsContact O-N 3.11Å; D173-Q177 PolarHBondContact O-N 2.93Å; D173-Q177 VanDerWaalsContact O-N 3.09Å
174	K	57.7	Low	60.4	Low	153 Å²	153	82.5 Å²	82.5	67%	0.665	41%	0.408	S	S	*	.	H	α-helix	trans	-55.1	-28.7	178.2	-69.7	-177.2	178.9	178.5	0	114.4	N172 D178	N172-K174 PolarHBondContact O-N 2.96Å; K174-D178 WeakPolarHBondContact O-CB 3.48Å; K174-D178 PolarHBondContact O-N 2.9Å
175	A	57.6	Low	60.3	Low	73 Å²	73	80.6 Å²	80.6	60%	0.603	40%	0.399	S	S	*	.	H	α-helix	trans	-73.4	-34.9	-179.9	0	0	0	0	0	112.9	D173 T179	D173-A175 PolarHBondContact O-N 2.85Å; D173-A175 VanDerWaalsContact O-N 3.09Å; A175-T179 PolarHBondContact O-N 2.84Å; A175-T179 PolarHBondContact O-OG1 2.96Å
176	Q	56.8	Low	60.4	Low	83 Å²	83	83.9 Å²	83.9	39%	0.388	42%	0.415	S	S	.	.	H	α-helix	trans	-74.6	-40.2	173.5	-68.7	-173.9	-25.3	0	0	110.3	D173 D178 T179 L180	D173-Q176 HydrophobicContact CB-CB 4.36Å; D173-Q176 HydrophobicContact CB-CG 4.49Å; D173-Q176 PolarHBondContact O-N 3.18Å; D173-Q176 VanDerWaalsContact O-N 3.11Å; Q176-D178 PolarHBondContact O-N 2.72Å; Q176-T179 WeakPolarHBondContact CA-OG1 3.04Å; Q176-T179 PolarHBondContact O-N 3.37Å; Q176-T179 PolarHBondContact O-OG1 3.41Å; Q176-T179 VanDerWaalsContact O-OG1 3.09Å; Q176-L180 WeakPolarHBondContact O-CB 3.22Å; Q176-L180 WeakPolarHBondContact O-CD1 3.29Å; Q176-L180 VanDerWaalsContact O-CG 3.22Å; Q176-L180 WeakPolarHBondContact O-CG 3.17Å; Q176-L180 PolarHBondContact O-N 3.04Å
177	Q	59.3	Low	60.6	Low	46 Å²	46	82.1 Å²	82.1	22%	0.215	41%	0.408	C	S	.	.	H	α-helix	trans	-57.6	-45.6	171.2	-71.3	-179.4	-12.9	0	0	112	W166 V169 D173 T179 L180 L181	W166-Q177 HydrophobicContact CH2-CB 3.77Å; W166-Q177 HydrophobicContact CH2-CG 3.87Å; W166-Q177 HydrophobicContact CZ2-CG 4.45Å; W166-Q177 HydrophobicContact CZ3-CB 3.83Å; W166-Q177 HydrophobicContact CZ3-CG 3.93Å; V169-Q177 HydrophobicContact CG1-CG 4.29Å; D173-Q177 PolarHBondContact O-N 2.93Å; D173-Q177 VanDerWaalsContact O-N 3.09Å; Q177-T179 VanDerWaalsContact C-N 3.31Å; Q177-T179 PolarHBondContact O-N 3.39Å; Q177-L180 PolarHBondContact O-N 2.75Å; Q177-L181 VanDerWaalsContact O-CB 3.22Å; Q177-L181 WeakPolarHBondContact O-CB 3.4Å; Q177-L181 PolarHBondContact O-N 2.83Å
178	D	63.8	Low	60.7	Low	103 Å²	103	76.1 Å²	76.1	55%	0.551	38%	0.38	S	S	*	.	H	α-helix	trans	-65.9	-30.1	177.9	-84.5	-17	0	0	0	113.6	K174 Q176 K182	K174-D178 WeakPolarHBondContact O-CB 3.48Å; K174-D178 PolarHBondContact O-N 2.9Å; Q176-D178 PolarHBondContact O-N 2.72Å; D178-K182 WeakPolarHBondContact O-CG 3.27Å; D178-K182 PolarHBondContact O-N 3.4Å
179	T	64.2	Low	60.9	Low	60 Å²	60	72.6 Å²	72.6	37%	0.368	37%	0.368	S	S	.	.	H	α-helix	trans	-77.7	-41	176.1	22.1	0	0	0	0	111.9	L140 A175 Q176 Q177 L181 K182 L183	L140-T179 HydrophobicContact CD2-CG2 4.43Å; A175-T179 PolarHBondContact O-N 2.84Å; A175-T179 PolarHBondContact O-OG1 2.96Å; Q176-T179 WeakPolarHBondContact CA-OG1 3.04Å; Q176-T179 PolarHBondContact O-N 3.37Å; Q176-T179 PolarHBondContact O-OG1 3.41Å; Q176-T179 VanDerWaalsContact O-OG1 3.09Å; Q177-T179 VanDerWaalsContact C-N 3.31Å; Q177-T179 PolarHBondContact O-N 3.39Å; T179-L181 VanDerWaalsContact C-N 3.29Å; T179-L181 PolarHBondContact O-N 3.25Å; T179-K182 PolarHBondContact O-N 2.93Å; T179-L183 PolarHBondContact O-N 3.33Å
180	L	65.3	Low	61.2	Low	2 Å²	2	72.8 Å²	72.8	1%	0.01	37%	0.366	C	S	.	.	H	α-helix	trans	-59	-42.2	169.9	-71.2	165.4	0	0	0	110.7	L136 V162 W166 Q176 Q177 K182 L183 V184	L136-L180 HydrophobicContact CD1-CD2 4.47Å; L136-L180 HydrophobicContact CD2-CD2 3.49Å; L136-L180 VanDerWaalsContact CD2-CD2 3.49Å; V162-L180 HydrophobicContact CG1-CD2 4.23Å; V162-L180 HydrophobicContact CG2-CD2 4.48Å; W166-L180 HydrophobicContact CE3-CB 3.88Å; W166-L180 HydrophobicContact CE3-CD1 3.81Å; W166-L180 HydrophobicContact CE3-CG 4.46Å; W166-L180 HydrophobicContact CZ3-CB 3.86Å; W166-L180 HydrophobicContact CZ3-CD1 4.29Å; Q176-L180 WeakPolarHBondContact O-CB 3.22Å; Q176-L180 WeakPolarHBondContact O-CD1 3.29Å; Q176-L180 VanDerWaalsContact O-CG 3.22Å; Q176-L180 WeakPolarHBondContact O-CG 3.17Å; Q176-L180 PolarHBondContact O-N 3.04Å; Q177-L180 PolarHBondContact O-N 2.75Å; L180-K182 VanDerWaalsContact C-N 3.35Å; L180-K182 PolarHBondContact O-N 3.1Å; L180-L183 WeakPolarHBondContact O-CB 3.39Å; L180-L183 PolarHBondContact O-N 2.81Å; L180-L183 VanDerWaalsContact O-N 3.14Å; L180-V184 WeakPolarHBondContact O-CG2 3.18Å; L180-V184 PolarHBondContact O-N 3Å
181	L	66.3	Low	62.1	Low	15 Å²	15	65.2 Å²	65.2	8%	0.079	33%	0.33	C	S	.	.	H	α-helix	trans	-68.3	-31.8	-178.7	-152.2	125.5	0	0	0	112.9	W166 Q177 T179 K185 R209 M212	W166-L181 HydrophobicContact CH2-CD1 4.09Å; Q177-L181 VanDerWaalsContact O-CB 3.22Å; Q177-L181 WeakPolarHBondContact O-CB 3.4Å; Q177-L181 PolarHBondContact O-N 2.83Å; T179-L181 VanDerWaalsContact C-N 3.29Å; T179-L181 PolarHBondContact O-N 3.25Å; L181-K185 HydrophobicContact CD2-CD 4.43Å; L181-K185 VanDerWaalsContact O-CG 3.31Å; L181-K185 WeakPolarHBondContact O-CG 3.37Å; L181-K185 PolarHBondContact O-N 2.9Å; L181-R209 HydrophobicContact CD1-CG 4.28Å; L181-M212 HydrophobicContact CD2-CE 4.41Å; L181-M212 HydrophobicContact CD2-SD 3.92Å; L181-M212 HydrophobicContact CG-CE 4.13Å; L181-M212 HydrophobicContact CG-SD 4.3Å
182	K	70.1	Confident	62.6	Low	137 Å²	137	57.5 Å²	57.5	60%	0.596	30%	0.295	S	S	*	.	H	α-helix	trans	-66.9	-41.5	170.7	-75.3	174.9	-173.7	175	0	111.9	D178 T179 L180 V184 K185 E186	D178-K182 WeakPolarHBondContact O-CG 3.27Å; D178-K182 PolarHBondContact O-N 3.4Å; T179-K182 PolarHBondContact O-N 2.93Å; L180-K182 VanDerWaalsContact C-N 3.35Å; L180-K182 PolarHBondContact O-N 3.1Å; K182-V184 VanDerWaalsContact C-N 3.35Å; K182-K185 WeakPolarHBondContact O-CB 3.36Å; K182-K185 PolarHBondContact O-N 3.43Å; K182-E186 PolarHBondContact O-N 3.46Å
183	L	67	Low	63.7	Low	22 Å²	22	54 Å²	54	12%	0.115	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-41.5	177.6	-173.9	64.9	0	0	0	111.1	L136 L147 L158 V162 T179 L180 K185 E186 I187	L136-L183 HydrophobicContact CD1-CD2 3.83Å; L147-L183 HydrophobicContact CD1-CD1 4.32Å; L158-L183 HydrophobicContact CD2-CD1 4.28Å; L158-L183 HydrophobicContact CD2-CD2 3.93Å; L158-L183 HydrophobicContact CD2-CG 4.15Å; V162-L183 HydrophobicContact CG2-CD2 3.72Å; T179-L183 PolarHBondContact O-N 3.33Å; L180-L183 WeakPolarHBondContact O-CB 3.39Å; L180-L183 PolarHBondContact O-N 2.81Å; L180-L183 VanDerWaalsContact O-N 3.14Å; L183-K185 VanDerWaalsContact C-N 3.33Å; L183-K185 PolarHBondContact O-N 3.44Å; L183-E186 PolarHBondContact O-N 3.25Å; L183-E186 VanDerWaalsContact O-N 3.13Å; L183-I187 HydrophobicContact CG-CD1 3.95Å; L183-I187 WeakPolarHBondContact O-CD1 3.42Å; L183-I187 VanDerWaalsContact O-CG1 3.27Å; L183-I187 WeakPolarHBondContact O-CG1 3.32Å; L183-I187 PolarHBondContact O-N 3.48Å
184	V	66.4	Low	64.3	Low	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-40.6	174.3	174	0	0	0	0	111.4	V162 L180 K182 E186 I187 V188 L204 I207 M212	V162-V184 HydrophobicContact CG1-CG2 3.84Å; L180-V184 WeakPolarHBondContact O-CG2 3.18Å; L180-V184 PolarHBondContact O-N 3Å; K182-V184 VanDerWaalsContact C-N 3.35Å; V184-E186 PolarHBondContact O-N 2.9Å; V184-I187 PolarHBondContact O-N 3.26Å; V184-V188 HydrophobicContact CG1-CG2 3.92Å; V184-V188 VanDerWaalsContact O-CG2 3.29Å; V184-V188 WeakPolarHBondContact O-CG2 3.43Å; V184-V188 PolarHBondContact O-N 3.32Å; V184-L204 HydrophobicContact CG1-CD2 4.28Å; V184-I207 HydrophobicContact CB-CD1 4.24Å; V184-I207 HydrophobicContact CG1-CD1 3.97Å; V184-I207 HydrophobicContact CG2-CD1 3.23Å; V184-M212 HydrophobicContact CG1-CE 3.89Å
185	K	66.6	Low	64.5	Low	93 Å²	93	52.4 Å²	52.4	40%	0.404	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-22.1	174.9	-79	176.8	176.9	-178	0	114.2	L181 K182 L183 P189 M212	L181-K185 HydrophobicContact CD2-CD 4.43Å; L181-K185 VanDerWaalsContact O-CG 3.31Å; L181-K185 WeakPolarHBondContact O-CG 3.37Å; L181-K185 PolarHBondContact O-N 2.9Å; K182-K185 WeakPolarHBondContact O-CB 3.36Å; K182-K185 PolarHBondContact O-N 3.43Å; L183-K185 VanDerWaalsContact C-N 3.33Å; L183-K185 PolarHBondContact O-N 3.44Å; K185-P189 WeakPolarHBondContact O-CD 3.41Å; K185-P189 VanDerWaalsContact O-CG 3.28Å; K185-P189 WeakPolarHBondContact O-CG 3.39Å; K185-M212 HydrophobicContact CD-SD 4.38Å; K185-M212 WeakPolarHBondContact CE-SD 3.33Å; K185-M212 HydrophobicContact CG-SD 3.93Å
186	E	67.4	Low	64.7	Low	98 Å²	98	49.4 Å²	49.4	46%	0.458	26%	0.257	S	S	.	.	H	α-helix	trans	-89.8	-31.5	173.3	-68.8	177.9	-174	0	0	112.4	L147 K182 L183 V184	L147-E186 HydrophobicContact CD1-CB 4.24Å; K182-E186 PolarHBondContact O-N 3.46Å; L183-E186 PolarHBondContact O-N 3.25Å; L183-E186 VanDerWaalsContact O-N 3.13Å; V184-E186 PolarHBondContact O-N 2.9Å
187	I	66.4	Low	65.1	Low	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-71.9	-45.1	178.5	-66.7	158	0	0	0	112	L147 V155 L158 L183 V184 Y190 N191 L203	L147-I187 HydrophobicContact CD2-CB 4.15Å; L147-I187 HydrophobicContact CD2-CG1 3.34Å; V155-I187 HydrophobicContact CG1-CG1 4.49Å; V155-I187 HydrophobicContact CG1-CG2 3.81Å; L158-I187 HydrophobicContact CD2-CD1 3.57Å; L158-I187 HydrophobicContact CD2-CG1 4.29Å; L183-I187 HydrophobicContact CG-CD1 3.95Å; L183-I187 WeakPolarHBondContact O-CD1 3.42Å; L183-I187 VanDerWaalsContact O-CG1 3.27Å; L183-I187 WeakPolarHBondContact O-CG1 3.32Å; L183-I187 PolarHBondContact O-N 3.48Å; V184-I187 PolarHBondContact O-N 3.26Å; I187-Y190 PolarHBondContact O-N 3.36Å; I187-N191 WeakPolarHBondContact CG2-ND2 3.44Å; I187-N191 PolarHBondContact O-N 3.4Å; I187-L203 HydrophobicContact CB-CD2 4.21Å; I187-L203 HydrophobicContact CD1-CD2 4.35Å; I187-L203 HydrophobicContact CG2-CD2 3.6Å
188	V	64.9	Low	65.5	Low	3 Å²	3	48.1 Å²	48.1	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-49.5	-172.5	169.9	0	0	0	0	111.9	V184 Y190 N191 M192 L204 Y216	V184-V188 HydrophobicContact CG1-CG2 3.92Å; V184-V188 VanDerWaalsContact O-CG2 3.29Å; V184-V188 WeakPolarHBondContact O-CG2 3.43Å; V184-V188 PolarHBondContact O-N 3.32Å; V188-Y190 VanDerWaalsContact C-N 3.29Å; V188-Y190 PolarHBondContact O-N 3.03Å; V188-N191 PolarHBondContact O-N 2.82Å; V188-M192 HydrophobicContact CG1-CG 4.45Å; V188-M192 WeakPolarHBondContact O-CB 3.3Å; V188-M192 WeakPolarHBondContact O-CG 3.1Å; V188-M192 PolarHBondContact O-N 2.89Å; V188-L204 HydrophobicContact CG1-CD1 3.97Å; V188-L204 HydrophobicContact CG2-CD1 3.87Å; V188-L204 HydrophobicContact CG2-CD2 4.1Å; V188-L204 HydrophobicContact CG2-CG 3.94Å; V188-Y216 HydrophobicContact CG1-CD2 4.11Å; V188-Y216 HydrophobicContact CG1-CG 4.44Å
189	P	67.8	Low	65.5	Low	46 Å²	46	45.2 Å²	45.2	30%	0.299	23%	0.234	S	C	.	.	H	α-helix	trans	-63.8	-32.9	177.7	-21.9	34.4	0	0	0	113.3	K185 A193 Y216	K185-P189 WeakPolarHBondContact O-CD 3.41Å; K185-P189 VanDerWaalsContact O-CG 3.28Å; K185-P189 WeakPolarHBondContact O-CG 3.39Å; P189-A193 WeakPolarHBondContact O-CB 3.29Å; P189-A193 PolarHBondContact O-N 3.3Å; P189-Y216 HydrophobicContact CB-CD1 4.41Å; P189-Y216 HydrophobicContact CG-CD1 3.68Å; P189-Y216 HydrophobicContact CG-CE1 3.76Å; P189-Y216 HydrophobicContact CG-CG 4.15Å
190	Y	66.2	Low	65.6	Low	28 Å²	28	42.4 Å²	42.4	11%	0.11	22%	0.217	C	C	.	.	H	α-helix	trans	-68.6	-46.3	178.2	178.7	-94.2	0	0	0	111.7	A148 H152 V155 I187 V188 M192 A193 H194	A148-Y190 VanDerWaalsContact CA-CE2 3.44Å; A148-Y190 HydrophobicContact CB-CD2 4.07Å; A148-Y190 HydrophobicContact CB-CE2 3.64Å; H152-Y190 AromaticContact CE1-CE1 3.42Å; H152-Y190 VanDerWaalsContact CE1-CE1 3.42Å; H152-Y190 WeakPolarHBondContact CE1-CE1 3.28Å; H152-Y190 AromaticContact CE1-CZ 3.65Å; H152-Y190 PolarHBondContact CE1-OH 3.36Å; H152-Y190 AromaticContact ND1-CE1 3.56Å; V155-Y190 HydrophobicContact CB-CD1 4.4Å; V155-Y190 HydrophobicContact CB-CE1 4.25Å; V155-Y190 HydrophobicContact CG1-CD1 4.07Å; V155-Y190 HydrophobicContact CG1-CE1 4.4Å; V155-Y190 HydrophobicContact CG2-CD1 3.99Å; V155-Y190 HydrophobicContact CG2-CE1 3.71Å; I187-Y190 PolarHBondContact O-N 3.36Å; V188-Y190 VanDerWaalsContact C-N 3.29Å; V188-Y190 PolarHBondContact O-N 3.03Å; Y190-M192 VanDerWaalsContact C-N 3.28Å; Y190-M192 PolarHBondContact O-N 3.01Å; Y190-A193 PolarHBondContact O-N 3.11Å; Y190-H194 AromaticContact CD2-CD2 3.63Å; Y190-H194 AromaticContact CD2-NE2 3.76Å; Y190-H194 AromaticContact CE1-CD2 3.77Å; Y190-H194 AromaticContact CE2-CD2 3.27Å; Y190-H194 WeakPolarHBondContact CE2-CD2 3.38Å; Y190-H194 AromaticContact CE2-NE2 3.11Å; Y190-H194 WeakPolarHBondContact CE2-NE2 3.34Å; Y190-H194 AromaticContact CZ-CD2 3.35Å; Y190-H194 AromaticContact CZ-NE2 3.48Å; Y190-H194 PolarHBondContact O-CD2 3.31Å; Y190-H194 VanDerWaalsContact O-CD2 3.25Å; Y190-H194 PolarHBondContact O-N 2.93Å
191	N	63.6	Low	65.7	Low	2 Å²	2	42.5 Å²	42.5	1%	0.011	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-35.8	177	-72.8	-4.8	0	0	0	111.5	V155 I187 V188 H194 A196 A200	V155-N191 VanDerWaalsContact CG1-OD1 3.29Å; V155-N191 WeakPolarHBondContact CG1-OD1 3.21Å; I187-N191 WeakPolarHBondContact CG2-ND2 3.44Å; I187-N191 PolarHBondContact O-N 3.4Å; V188-N191 PolarHBondContact O-N 2.82Å; N191-H194 PolarHBondContact O-N 2.9Å; N191-A196 HydrophobicContact CB-CB 4.24Å; N191-A196 CarbonylContact O-C 3.48Å; N191-A196 WeakPolarHBondContact O-CA 3.41Å; N191-A196 PolarHBondContact O-N 3.35Å; N191-A200 HydrophobicContact CB-CB 3.86Å
192	M	61.9	Low	65.9	Low	12 Å²	12	44.6 Å²	44.6	6%	0.059	23%	0.228	C	C	.	.	H	α-helix	trans	-66.9	-42.5	174.9	-68.1	-66.2	-76.4	0	0	112.5	V188 Y190 H194 E197 A200 I217 A221 V225	V188-M192 HydrophobicContact CG1-CG 4.45Å; V188-M192 WeakPolarHBondContact O-CB 3.3Å; V188-M192 WeakPolarHBondContact O-CG 3.1Å; V188-M192 PolarHBondContact O-N 2.89Å; Y190-M192 VanDerWaalsContact C-N 3.28Å; Y190-M192 PolarHBondContact O-N 3.01Å; M192-H194 PolarHBondContact O-N 3.49Å; M192-E197 HydrophobicContact SD-CB 4.06Å; M192-E197 HydrophobicContact SD-CG 4.04Å; M192-A200 HydrophobicContact CG-CB 4.43Å; M192-A200 HydrophobicContact SD-CB 4.28Å; M192-I217 HydrophobicContact CE-CB 4.33Å; M192-I217 HydrophobicContact CE-CG1 4.02Å; M192-I217 HydrophobicContact CE-CG2 4.41Å; M192-A221 HydrophobicContact CE-CB 3.71Å; M192-V225 HydrophobicContact CE-CG2 4.12Å; M192-V225 HydrophobicContact SD-CG2 4.42Å
193	A	65.4	Low	65.8	Low	72 Å²	72	38.3 Å²	38.3	60%	0.595	20%	0.202	S	C	*	.	H	α-helix	trans	-67.7	-21	179	0	0	0	0	0	114.1	P189 Y190	P189-A193 WeakPolarHBondContact O-CB 3.29Å; P189-A193 PolarHBondContact O-N 3.3Å; Y190-A193 PolarHBondContact O-N 3.11Å
194	H	65.1	Low	65.7	Low	93 Å²	93	37.3 Å²	37.3	43%	0.431	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	16.7	-176.4	-74.9	-66.7	0	0	0	114.8	H152 Y190 N191 M192 A196	H152-H194 WeakPolarHBondContact CE1-CB 3.49Å; H152-H194 AromaticContact CE1-CD2 3.44Å; H152-H194 PolarHBondContact CE1-CD2 3.11Å; H152-H194 VanDerWaalsContact CE1-CD2 3.44Å; H152-H194 AromaticContact CE1-CG 3.23Å; H152-H194 AromaticContact CE1-ND1 3.92Å; H152-H194 AromaticContact NE2-CD2 3.68Å; H152-H194 AromaticContact NE2-CE1 3.95Å; H152-H194 AromaticContact NE2-CG 3.28Å; H152-H194 VanDerWaalsContact NE2-CG 3.28Å; H152-H194 AromaticContact NE2-ND1 3.47Å; H152-H194 PolarHBondContact NE2-ND1 3.31Å; Y190-H194 AromaticContact CD2-CD2 3.63Å; Y190-H194 AromaticContact CD2-NE2 3.76Å; Y190-H194 AromaticContact CE1-CD2 3.77Å; Y190-H194 AromaticContact CE2-CD2 3.27Å; Y190-H194 WeakPolarHBondContact CE2-CD2 3.38Å; Y190-H194 AromaticContact CE2-NE2 3.11Å; Y190-H194 WeakPolarHBondContact CE2-NE2 3.34Å; Y190-H194 AromaticContact CZ-CD2 3.35Å; Y190-H194 AromaticContact CZ-NE2 3.48Å; Y190-H194 PolarHBondContact O-CD2 3.31Å; Y190-H194 VanDerWaalsContact O-CD2 3.25Å; Y190-H194 PolarHBondContact O-N 2.93Å; N191-H194 PolarHBondContact O-N 2.9Å; M192-H194 PolarHBondContact O-N 3.49Å; H194-A196 VanDerWaalsContact C-N 3.26Å; H194-A196 PolarHBondContact O-N 3.44Å
195	N	62.4	Low	65.6	Low	112 Å²	112	39.3 Å²	39.3	60%	0.599	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	29.7	-178.1	-57.7	-35.7	0	0	0	114.2	E197	N195-E197 WeakPolarHBondContact CA-OE2 3.36Å; N195-E197 VanDerWaalsContact O-OE2 3.04Å
196	A	62.7	Low	65.6	Low	11 Å²	11	39 Å²	39	9%	0.091	21%	0.206	C	C	.	.			trans	-102.2	49.2	170.1	0	0	0	0	0	109.8	N191 H194 H198 E199 A200	N191-A196 HydrophobicContact CB-CB 4.24Å; N191-A196 CarbonylContact O-C 3.48Å; N191-A196 WeakPolarHBondContact O-CA 3.41Å; N191-A196 PolarHBondContact O-N 3.35Å; H194-A196 VanDerWaalsContact C-N 3.26Å; H194-A196 PolarHBondContact O-N 3.44Å; A196-H198 VanDerWaalsContact C-N 3.29Å; A196-H198 PolarHBondContact O-N 3.22Å; A196-E199 PolarHBondContact O-N 3.02Å; A196-A200 PolarHBondContact O-N 3.44Å
197	E	64.1	Low	65.5	Low	11 Å²	11	34.4 Å²	34.4	5%	0.051	19%	0.185	C	C	.	.	H	α-helix	trans	-67.3	-31.1	-172.7	-51.7	96.5	147.5	0	0	112.3	M192 N195 C201 A221 K224 V225	M192-E197 HydrophobicContact SD-CB 4.06Å; M192-E197 HydrophobicContact SD-CG 4.04Å; N195-E197 WeakPolarHBondContact CA-OE2 3.36Å; N195-E197 VanDerWaalsContact O-OE2 3.04Å; E197-C201 PolarHBondContact O-N 3.33Å; E197-C201 VanDerWaalsContact O-N 3.09Å; E197-C201 PolarHBondContact O-SG 3.48Å; E197-A221 HydrophobicContact CG-CB 4.15Å; E197-K224 IonicContact OE1-NZ 2.71Å; E197-K224 PolarHBondContact OE1-NZ 3.35Å; E197-K224 IonicContact OE2-NZ 3.68Å; E197-V225 HydrophobicContact CB-CG2 3.79Å; E197-V225 HydrophobicContact CG-CG2 4.35Å
198	H	67	Low	65.3	Low	90 Å²	90	41.2 Å²	41.2	42%	0.417	22%	0.217	S	C	.	.	H	α-helix	trans	-68.4	-44.3	176.9	53.8	-76.5	0	0	0	112	A196 A200 C201 D202 Y228	A196-H198 VanDerWaalsContact C-N 3.29Å; A196-H198 PolarHBondContact O-N 3.22Å; H198-A200 VanDerWaalsContact C-N 3.3Å; H198-A200 PolarHBondContact O-N 3.49Å; H198-C201 WeakPolarHBondContact O-CB 3.5Å; H198-C201 PolarHBondContact O-N 2.95Å; H198-C201 VanDerWaalsContact O-N 3.15Å; H198-D202 VanDerWaalsContact O-CG 3.25Å; H198-D202 PolarHBondContact O-N 3.03Å; H198-Y228 HydrophobicContact CB-CD2 4.31Å; H198-Y228 HydrophobicContact CB-CE1 4.36Å; H198-Y228 HydrophobicContact CB-CE2 4.06Å
199	E	64.9	Low	65.1	Low	43 Å²	43	46 Å²	46	20%	0.201	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-32.3	177.7	-59.6	-171.8	161.7	0	0	112	R156 A196 L203	R156-E199 WeakPolarHBondContact CD-OE1 3.33Å; R156-E199 IonicContact CZ-OE1 3.16Å; R156-E199 IonicContact NE-OE1 2.74Å; R156-E199 PolarHBondContact NE-OE1 3.44Å; R156-E199 IonicContact NH1-OE1 3.42Å; A196-E199 PolarHBondContact O-N 3.02Å; E199-L203 WeakPolarHBondContact O-CB 3.48Å; E199-L203 PolarHBondContact O-N 3.41Å; E199-L203 VanDerWaalsContact O-N 3.08Å
200	A	66.4	Low	64.7	Low	1 Å²	1	44.8 Å²	44.8	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-67.6	-40.5	172.3	0	0	0	0	0	112.1	N191 M192 A196 H198 L204	N191-A200 HydrophobicContact CB-CB 3.86Å; M192-A200 HydrophobicContact CG-CB 4.43Å; M192-A200 HydrophobicContact SD-CB 4.28Å; A196-A200 PolarHBondContact O-N 3.44Å; H198-A200 VanDerWaalsContact C-N 3.3Å; H198-A200 PolarHBondContact O-N 3.49Å; A200-L204 WeakPolarHBondContact O-CB 3.39Å; A200-L204 WeakPolarHBondContact O-CD1 3.49Å; A200-L204 WeakPolarHBondContact O-CG 3.48Å; A200-L204 PolarHBondContact O-N 2.94Å; A200-L204 VanDerWaalsContact O-N 3.1Å
201	C	67.2	Low	64.5	Low	3 Å²	3	49 Å²	49	2%	0.02	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-43.9	176.1	-67.4	0	0	0	0	111.5	E197 H198 L203 L204 M205 Y228	E197-C201 PolarHBondContact O-N 3.33Å; E197-C201 VanDerWaalsContact O-N 3.09Å; E197-C201 PolarHBondContact O-SG 3.48Å; H198-C201 WeakPolarHBondContact O-CB 3.5Å; H198-C201 PolarHBondContact O-N 2.95Å; H198-C201 VanDerWaalsContact O-N 3.15Å; C201-L203 PolarHBondContact O-N 3.07Å; C201-L204 PolarHBondContact O-N 3.31Å; C201-M205 WeakPolarHBondContact O-CB 3.13Å; C201-M205 PolarHBondContact O-N 2.96Å; C201-Y228 HydrophobicContact CB-CD1 3.71Å; C201-Y228 HydrophobicContact CB-CE1 3.74Å
202	D	71	Confident	64.3	Low	59 Å²	59	49.5 Å²	49.5	32%	0.316	25%	0.252	S	S	.	.	H	α-helix	trans	-60.8	-45.6	177.3	-67	-15.9	0	0	0	111.2	H198 L204 M205 E206 Y228	H198-D202 VanDerWaalsContact O-CG 3.25Å; H198-D202 PolarHBondContact O-N 3.03Å; D202-L204 VanDerWaalsContact C-N 3.31Å; D202-L204 PolarHBondContact O-N 3.23Å; D202-M205 WeakPolarHBondContact O-CB 3.4Å; D202-M205 PolarHBondContact O-N 3.03Å; D202-E206 WeakPolarHBondContact O-CG 3.48Å; D202-E206 PolarHBondContact O-N 2.76Å; D202-Y228 VanDerWaalsContact CG-OH 3.3Å; D202-Y228 WeakPolarHBondContact OD1-CE1 3.5Å; D202-Y228 PolarHBondContact OD1-OH 3.05Å; D202-Y228 PolarHBondContact OD2-OH 2.83Å
203	L	66.6	Low	64.3	Low	6 Å²	6	49.1 Å²	49.1	3%	0.031	25%	0.25	C	S	.	.	H	α-helix	trans	-60.1	-41.6	176.4	-179.5	64.3	0	0	0	112.1	A159 V162 A163 I187 E199 C201 M205 I207	A159-L203 HydrophobicContact CB-CD1 4.03Å; A159-L203 HydrophobicContact CB-CD2 4.03Å; A159-L203 HydrophobicContact CB-CG 4.49Å; A159-L203 WeakPolarHBondContact O-CD1 3.24Å; V162-L203 HydrophobicContact CB-CD1 4.49Å; V162-L203 HydrophobicContact CG1-CD1 4.28Å; A163-L203 HydrophobicContact CB-CD1 4.42Å; I187-L203 HydrophobicContact CB-CD2 4.21Å; I187-L203 HydrophobicContact CD1-CD2 4.35Å; I187-L203 HydrophobicContact CG2-CD2 3.6Å; E199-L203 WeakPolarHBondContact O-CB 3.48Å; E199-L203 PolarHBondContact O-N 3.41Å; E199-L203 VanDerWaalsContact O-N 3.08Å; C201-L203 PolarHBondContact O-N 3.07Å; L203-M205 VanDerWaalsContact C-N 3.35Å; L203-I207 HydrophobicContact CD1-CD1 3.65Å; L203-I207 HydrophobicContact CG-CD1 3.83Å; L203-I207 WeakPolarHBondContact O-CB 3.44Å; L203-I207 WeakPolarHBondContact O-CD1 3.18Å; L203-I207 WeakPolarHBondContact O-CG1 3.47Å; L203-I207 PolarHBondContact O-N 3.38Å; L203-I207 VanDerWaalsContact O-N 3.13Å
204	L	66	Low	64	Low	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-72.7	-28.5	179.1	-76.4	164.1	0	0	0	112.9	V184 V188 A200 C201 D202 E208 R209 M212 L213	V184-L204 HydrophobicContact CG1-CD2 4.28Å; V188-L204 HydrophobicContact CG1-CD1 3.97Å; V188-L204 HydrophobicContact CG2-CD1 3.87Å; V188-L204 HydrophobicContact CG2-CD2 4.1Å; V188-L204 HydrophobicContact CG2-CG 3.94Å; A200-L204 WeakPolarHBondContact O-CB 3.39Å; A200-L204 WeakPolarHBondContact O-CD1 3.49Å; A200-L204 WeakPolarHBondContact O-CG 3.48Å; A200-L204 PolarHBondContact O-N 2.94Å; A200-L204 VanDerWaalsContact O-N 3.1Å; C201-L204 PolarHBondContact O-N 3.31Å; D202-L204 VanDerWaalsContact C-N 3.31Å; D202-L204 PolarHBondContact O-N 3.23Å; L204-E208 PolarHBondContact O-N 3.49Å; L204-R209 WeakPolarHBondContact CD2-O 3.45Å; L204-R209 PolarHBondContact O-N 2.68Å; L204-M212 HydrophobicContact CD2-CB 4.23Å; L204-M212 HydrophobicContact CD2-CE 4.01Å; L204-L213 HydrophobicContact CB-CD1 4.08Å; L204-L213 HydrophobicContact CD1-CB 3.99Å; L204-L213 HydrophobicContact CD1-CD1 3.45Å; L204-L213 VanDerWaalsContact CD1-CD1 3.45Å; L204-L213 HydrophobicContact CD1-CG 3.53Å; L204-L213 HydrophobicContact CG-CD1 4.4Å
205	M	63.7	Low	63.8	Low	43 Å²	43	47.6 Å²	47.6	21%	0.212	24%	0.239	C	C	.	.	H	α-helix	trans	-66.7	-49.2	171.9	-174.4	176.9	-75.4	0	0	110.2	C201 D202 L203 I207 E208 C232 V236 L244	C201-M205 WeakPolarHBondContact O-CB 3.13Å; C201-M205 PolarHBondContact O-N 2.96Å; D202-M205 WeakPolarHBondContact O-CB 3.4Å; D202-M205 PolarHBondContact O-N 3.03Å; L203-M205 VanDerWaalsContact C-N 3.35Å; M205-I207 PolarHBondContact O-N 3.43Å; M205-E208 PolarHBondContact O-N 3.19Å; M205-C232 HydrophobicContact CE-CB 3.94Å; M205-V236 HydrophobicContact CE-CG2 4.29Å; M205-V236 HydrophobicContact SD-CG2 4.27Å; M205-L244 HydrophobicContact CE-CD1 3.83Å; M205-L244 HydrophobicContact CE-CD2 3.64Å; M205-L244 HydrophobicContact CE-CG 4.41Å
206	E	67.5	Low	63.7	Low	87 Å²	87	46.1 Å²	46.1	41%	0.407	23%	0.226	S	C	.	.	H	α-helix	trans	-66.3	-23.8	179.2	-67	-70.3	-177.9	0	0	113.7	A163 Q167 D202	A163-E206 HydrophobicContact CB-CB 3.82Å; A163-E206 HydrophobicContact CB-CG 4.18Å; Q167-E206 PolarHBondContact NE2-OE2 3.25Å; D202-E206 WeakPolarHBondContact O-CG 3.48Å; D202-E206 PolarHBondContact O-N 2.76Å
207	I	64.1	Low	63.5	Low	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-3.6	176.7	-70.7	160.8	0	0	0	112.2	V162 W166 V184 L203 M205 R209	V162-I207 HydrophobicContact CG1-CD1 3.97Å; W166-I207 HydrophobicContact CB-CG1 4.32Å; W166-I207 HydrophobicContact CD2-CG1 4.22Å; W166-I207 HydrophobicContact CD2-CG2 4.06Å; W166-I207 HydrophobicContact CE3-CG2 4.38Å; W166-I207 HydrophobicContact CG-CG1 4.03Å; W166-I207 HydrophobicContact CH2-CG2 4.33Å; W166-I207 HydrophobicContact CZ2-CG2 3.99Å; W166-I207 PolarHBondContact NE1-O 3.42Å; V184-I207 HydrophobicContact CB-CD1 4.24Å; V184-I207 HydrophobicContact CG1-CD1 3.97Å; V184-I207 HydrophobicContact CG2-CD1 3.23Å; L203-I207 HydrophobicContact CD1-CD1 3.65Å; L203-I207 HydrophobicContact CG-CD1 3.83Å; L203-I207 WeakPolarHBondContact O-CB 3.44Å; L203-I207 WeakPolarHBondContact O-CD1 3.18Å; L203-I207 WeakPolarHBondContact O-CG1 3.47Å; L203-I207 PolarHBondContact O-N 3.38Å; L203-I207 VanDerWaalsContact O-N 3.13Å; M205-I207 PolarHBondContact O-N 3.43Å; I207-R209 HydrophobicContact CG2-CB 4.06Å; I207-R209 HydrophobicContact CG2-CG 4.11Å; I207-R209 PolarHBondContact O-N 3.24Å
208	E	63.7	Low	63.3	Low	143 Å²	143	51 Å²	51	67%	0.668	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	21.3	-177.5	-61.6	-178.2	167.8	0	0	113.9	L204 M205	L204-E208 PolarHBondContact O-N 3.49Å; M205-E208 PolarHBondContact O-N 3.19Å
209	R	60.5	Low	62.8	Low	102 Å²	102	54 Å²	54	39%	0.385	27%	0.265	S	S	.	.			trans	-117.1	56.5	-180	-67.7	-66.6	-62.8	-88.2	-1	111.5	L181 L204 I207 D211 M212	L181-R209 HydrophobicContact CD1-CG 4.28Å; L204-R209 WeakPolarHBondContact CD2-O 3.45Å; L204-R209 PolarHBondContact O-N 2.68Å; I207-R209 HydrophobicContact CG2-CB 4.06Å; I207-R209 HydrophobicContact CG2-CG 4.11Å; I207-R209 PolarHBondContact O-N 3.24Å; R209-D211 PolarHBondContact O-N 3.06Å; R209-D211 VanDerWaalsContact O-N 3.15Å; R209-M212 HydrophobicContact CB-CE 4.1Å; R209-M212 PolarHBondContact O-N 2.82Å
210	L	60	Low	62.5	Low	21 Å²	21	59.2 Å²	59.2	11%	0.11	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-58.8	-22.1	176	-67.8	161.5	0	0	0	113.2	M212 L213 L244 C247	L210-M212 PolarHBondContact O-N 3.07Å; L210-L213 HydrophobicContact CD2-CD1 4.48Å; L210-L213 VanDerWaalsContact O-CB 3.24Å; L210-L213 WeakPolarHBondContact O-CB 3.26Å; L210-L213 PolarHBondContact O-N 3.36Å; L210-L213 VanDerWaalsContact O-N 3.1Å; L210-L244 HydrophobicContact CD1-CD2 3.44Å; L210-L244 VanDerWaalsContact CD1-CD2 3.44Å; L210-L244 HydrophobicContact CD1-CG 3.95Å; L210-L244 HydrophobicContact CD2-CD2 3.68Å; L210-L244 HydrophobicContact CG-CD2 4.2Å; L210-C247 HydrophobicContact CB-CB 4.03Å; L210-C247 PolarHBondContact O-SG 3.39Å
211	D	60.2	Low	62.2	Low	116 Å²	116	59.5 Å²	59.5	62%	0.62	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-58.6	-31.4	178.3	-60.9	-33.7	0	0	0	113.4	R209 L213 G214	R209-D211 PolarHBondContact O-N 3.06Å; R209-D211 VanDerWaalsContact O-N 3.15Å; D211-L213 PolarHBondContact O-N 2.9Å; D211-G214 PolarHBondContact O-N 3.19Å
212	M	60	Low	61.9	Low	14 Å²	14	61.3 Å²	61.3	7%	0.069	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-72.5	-19.2	-179	-64.4	-163.7	-62.7	0	0	112.7	L181 V184 K185 L204 R209 L210 G214 D215 Y216	L181-M212 HydrophobicContact CD2-CE 4.41Å; L181-M212 HydrophobicContact CD2-SD 3.92Å; L181-M212 HydrophobicContact CG-CE 4.13Å; L181-M212 HydrophobicContact CG-SD 4.3Å; V184-M212 HydrophobicContact CG1-CE 3.89Å; K185-M212 HydrophobicContact CD-SD 4.38Å; K185-M212 WeakPolarHBondContact CE-SD 3.33Å; K185-M212 HydrophobicContact CG-SD 3.93Å; L204-M212 HydrophobicContact CD2-CB 4.23Å; L204-M212 HydrophobicContact CD2-CE 4.01Å; R209-M212 HydrophobicContact CB-CE 4.1Å; R209-M212 PolarHBondContact O-N 2.82Å; L210-M212 PolarHBondContact O-N 3.07Å; M212-G214 PolarHBondContact O-N 3.4Å; M212-D215 PolarHBondContact O-N 3.41Å; M212-Y216 VanDerWaalsContact O-CD2 3.22Å; M212-Y216 WeakPolarHBondContact O-CD2 3.44Å
213	L	62	Low	61.6	Low	4 Å²	4	60 Å²	60	2%	0.021	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-62.2	-34.1	177.5	-135.1	147.2	0	0	0	110	L204 L210 D211 D215 Y216 I217 V225 I251	L204-L213 HydrophobicContact CB-CD1 4.08Å; L204-L213 HydrophobicContact CD1-CB 3.99Å; L204-L213 HydrophobicContact CD1-CD1 3.45Å; L204-L213 VanDerWaalsContact CD1-CD1 3.45Å; L204-L213 HydrophobicContact CD1-CG 3.53Å; L204-L213 HydrophobicContact CG-CD1 4.4Å; L210-L213 HydrophobicContact CD2-CD1 4.48Å; L210-L213 VanDerWaalsContact O-CB 3.24Å; L210-L213 WeakPolarHBondContact O-CB 3.26Å; L210-L213 PolarHBondContact O-N 3.36Å; L210-L213 VanDerWaalsContact O-N 3.1Å; D211-L213 PolarHBondContact O-N 2.9Å; L213-D215 PolarHBondContact O-N 2.88Å; L213-D215 VanDerWaalsContact O-N 3.15Å; L213-Y216 PolarHBondContact O-N 3.27Å; L213-I217 HydrophobicContact CD2-CD1 3.61Å; L213-I217 HydrophobicContact CD2-CG1 3.85Å; L213-I217 WeakPolarHBondContact O-CD1 3.49Å; L213-I217 WeakPolarHBondContact O-CG1 3.12Å; L213-V225 HydrophobicContact CD2-CG1 3.53Å; L213-I251 HydrophobicContact CB-CD1 4.46Å; L213-I251 HydrophobicContact CD2-CD1 3.91Å
214	G	58.2	Low	61.5	Low	16 Å²	16	64.9 Å²	64.9	17%	0.165	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-64.2	-19.8	-179	0	0	0	0	0	115.7	D211 M212 K254	D211-G214 PolarHBondContact O-N 3.19Å; M212-G214 PolarHBondContact O-N 3.4Å; G214-K254 VanDerWaalsContact O-CD 3.28Å; G214-K254 WeakPolarHBondContact O-CD 3.41Å; G214-K254 PolarHBondContact O-NZ 3.16Å
215	D	62.4	Low	61.5	Low	117 Å²	117	65 Å²	65	63%	0.626	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-95.5	-12.6	-174.6	-67.4	-17.8	0	0	0	113.5	M212 L213 K254	M212-D215 PolarHBondContact O-N 3.41Å; L213-D215 PolarHBondContact O-N 2.88Å; L213-D215 VanDerWaalsContact O-N 3.15Å; D215-K254 IonicContact OD1-NZ 3.36Å; D215-K254 PolarHBondContact OD1-NZ 3.44Å
216	Y	59.4	Low	61.5	Low	81 Å²	81	63.1 Å²	63.1	32%	0.318	32%	0.316	S	S	.	.	S	Bend	trans	-122.4	15.4	-171	-59.3	-67.9	0	0	0	114.5	V188 P189 M212 L213	V188-Y216 HydrophobicContact CG1-CD2 4.11Å; V188-Y216 HydrophobicContact CG1-CG 4.44Å; P189-Y216 HydrophobicContact CB-CD1 4.41Å; P189-Y216 HydrophobicContact CG-CD1 3.68Å; P189-Y216 HydrophobicContact CG-CE1 3.76Å; P189-Y216 HydrophobicContact CG-CG 4.15Å; M212-Y216 VanDerWaalsContact O-CD2 3.22Å; M212-Y216 WeakPolarHBondContact O-CD2 3.44Å; L213-Y216 PolarHBondContact O-N 3.27Å
217	I	59.5	Low	61.5	Low	19 Å²	19	63.5 Å²	63.5	10%	0.097	32%	0.32	C	S	.	.			trans	-93.1	134.1	179.1	-58.8	154.2	0	0	0	110.1	M192 L213 A221 I251 F255	M192-I217 HydrophobicContact CE-CB 4.33Å; M192-I217 HydrophobicContact CE-CG1 4.02Å; M192-I217 HydrophobicContact CE-CG2 4.41Å; L213-I217 HydrophobicContact CD2-CD1 3.61Å; L213-I217 HydrophobicContact CD2-CG1 3.85Å; L213-I217 WeakPolarHBondContact O-CD1 3.49Å; L213-I217 WeakPolarHBondContact O-CG1 3.12Å; I217-A221 HydrophobicContact CG2-CB 4.4Å; I217-I251 HydrophobicContact CD1-CB 4.1Å; I217-I251 HydrophobicContact CD1-CD1 3.46Å; I217-I251 VanDerWaalsContact CD1-CD1 3.46Å; I217-I251 HydrophobicContact CD1-CG1 3.45Å; I217-I251 VanDerWaalsContact CD1-CG1 3.45Å; I217-I251 HydrophobicContact CD1-CG2 3.5Å; I217-I251 VanDerWaalsContact CD1-CG2 3.5Å; I217-F255 HydrophobicContact CB-CE2 3.76Å; I217-F255 HydrophobicContact CB-CZ 3.72Å; I217-F255 HydrophobicContact CD1-CE2 4.42Å; I217-F255 HydrophobicContact CG2-CE2 3.41Å; I217-F255 VanDerWaalsContact CG2-CE2 3.41Å; I217-F255 HydrophobicContact CG2-CZ 3.43Å; I217-F255 VanDerWaalsContact CG2-CZ 3.43Å; I217-F255 WeakPolarHBondContact O-CZ 3.47Å
218	D	59.8	Low	61.8	Low	104 Å²	104	66.4 Å²	66.4	56%	0.556	33%	0.331	S	S	*	.			trans	-98.3	161	172.7	-72.8	-37.5	0	0	0	112.5	N220 A221 Y222	D218-N220 PolarHBondContact O-N 3.48Å; D218-A221 PolarHBondContact O-N 3.44Å; D218-Y222 PolarHBondContact O-N 3.14Å
219	E	55.9	Low	62	Low	154 Å²	154	59.7 Å²	59.7	72%	0.72	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-15.9	178.4	-71.4	-175.7	174.2	0	0	115.2	Y222 F255	E219-Y222 VanDerWaalsContact C-CD1 3.49Å; E219-Y222 HydrophobicContact CB-CE1 4.42Å; E219-Y222 WeakPolarHBondContact O-CD1 3.32Å; E219-Y222 WeakPolarHBondContact O-CE1 3.48Å; E219-F255 HydrophobicContact CG-CE1 4.4Å
220	N	58.8	Low	62.3	Low	153 Å²	153	55.9 Å²	55.9	82%	0.818	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-20.9	176	-68.2	-49.1	0	0	0	113.1	D218	D218-N220 PolarHBondContact O-N 3.48Å
221	A	60.2	Low	62.5	Low	7 Å²	7	56.9 Å²	56.9	6%	0.058	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-27.5	-176.4	0	0	0	0	0	112.5	M192 E197 I217 D218 G223 K224 V225	M192-A221 HydrophobicContact CE-CB 3.71Å; E197-A221 HydrophobicContact CG-CB 4.15Å; I217-A221 HydrophobicContact CG2-CB 4.4Å; D218-A221 PolarHBondContact O-N 3.44Å; A221-G223 VanDerWaalsContact C-N 3.28Å; A221-G223 PolarHBondContact O-N 3.22Å; A221-K224 PolarHBondContact O-N 3.39Å; A221-V225 WeakPolarHBondContact O-CB 3.32Å; A221-V225 VanDerWaalsContact O-CG2 3.3Å; A221-V225 WeakPolarHBondContact O-CG2 3.36Å; A221-V225 PolarHBondContact O-N 3.45Å
222	Y	61.4	Low	62.7	Low	40 Å²	40	51.9 Å²	51.9	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-57.7	-38.7	-175.7	73.7	-100.8	0	0	0	113	D218 E219 K224 V225 C226 F255 R257	D218-Y222 PolarHBondContact O-N 3.14Å; E219-Y222 VanDerWaalsContact C-CD1 3.49Å; E219-Y222 HydrophobicContact CB-CE1 4.42Å; E219-Y222 WeakPolarHBondContact O-CD1 3.32Å; E219-Y222 WeakPolarHBondContact O-CE1 3.48Å; Y222-K224 PolarHBondContact O-N 3.4Å; Y222-V225 PolarHBondContact O-N 3.36Å; Y222-C226 WeakPolarHBondContact O-CB 3.38Å; Y222-C226 PolarHBondContact O-N 3.18Å; Y222-C226 PolarHBondContact O-SG 2.87Å; Y222-F255 AromaticContact CD1-CD1 3.91Å; Y222-F255 HydrophobicContact CD1-CD1 3.91Å; Y222-F255 HydrophobicContact CD1-CD2 4.42Å; Y222-F255 HydrophobicContact CD1-CE1 4.11Å; Y222-F255 HydrophobicContact CD1-CG 4.1Å; Y222-F255 HydrophobicContact CD1-CZ 4.47Å; Y222-F255 HydrophobicContact CE1-CD1 4.43Å; Y222-F255 HydrophobicContact CG-CD1 4.39Å; Y222-F255 HydrophobicContact CG-CD2 4.11Å; Y222-F255 HydrophobicContact CG-CE2 4.42Å; Y222-F255 HydrophobicContact CG-CG 4.13Å; Y222-R257 VanDerWaalsContact OH-CZ 3.29Å; Y222-R257 PolarHBondContact OH-NE 3.35Å; Y222-R257 PolarHBondContact OH-NH2 2.89Å
223	G	64.2	Low	62.8	Low	31 Å²	31	52.2 Å²	52.2	32%	0.32	27%	0.274	S	S	.	.	H	α-helix	trans	-63.6	-43.6	-177.5	0	0	0	0	0	112.2	A221 L227	A221-G223 VanDerWaalsContact C-N 3.28Å; A221-G223 PolarHBondContact O-N 3.22Å; G223-L227 WeakPolarHBondContact O-CB 3.42Å; G223-L227 WeakPolarHBondContact O-CD1 3.46Å; G223-L227 WeakPolarHBondContact O-CG 3.44Å; G223-L227 PolarHBondContact O-N 2.87Å; G223-L227 VanDerWaalsContact O-N 3.12Å
224	K	65.1	Low	62.8	Low	110 Å²	110	55 Å²	55	48%	0.478	29%	0.294	S	S	.	.	H	α-helix	trans	-73.4	-44.1	177.9	-66.8	-178.3	-168.7	163.7	0	112	E197 A221 Y222 C226 L227 Y228	E197-K224 IonicContact OE1-NZ 2.71Å; E197-K224 PolarHBondContact OE1-NZ 3.35Å; E197-K224 IonicContact OE2-NZ 3.68Å; A221-K224 PolarHBondContact O-N 3.39Å; Y222-K224 PolarHBondContact O-N 3.4Å; K224-C226 VanDerWaalsContact C-N 3.32Å; K224-C226 PolarHBondContact O-N 2.98Å; K224-L227 PolarHBondContact O-N 3.15Å; K224-Y228 VanDerWaalsContact O-CB 3.28Å; K224-Y228 WeakPolarHBondContact O-CB 3.48Å; K224-Y228 PolarHBondContact O-N 3.2Å
225	V	65.4	Low	63.1	Low	1 Å²	1	62.6 Å²	62.6	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-44.4	178.6	167.9	0	0	0	0	110.6	M192 E197 L213 A221 Y222 Y228 L229	M192-V225 HydrophobicContact CE-CG2 4.12Å; M192-V225 HydrophobicContact SD-CG2 4.42Å; E197-V225 HydrophobicContact CB-CG2 3.79Å; E197-V225 HydrophobicContact CG-CG2 4.35Å; L213-V225 HydrophobicContact CD2-CG1 3.53Å; A221-V225 WeakPolarHBondContact O-CB 3.32Å; A221-V225 VanDerWaalsContact O-CG2 3.3Å; A221-V225 WeakPolarHBondContact O-CG2 3.36Å; A221-V225 PolarHBondContact O-N 3.45Å; Y222-V225 PolarHBondContact O-N 3.36Å; V225-Y228 WeakPolarHBondContact O-CB 3.33Å; V225-Y228 PolarHBondContact O-N 3.29Å; V225-L229 WeakPolarHBondContact O-CB 3.08Å; V225-L229 PolarHBondContact O-N 3.15Å
226	C	64.1	Low	63.1	Low	4 Å²	4	58.1 Å²	58.1	3%	0.027	30%	0.295	C	S	.	.	H	α-helix	trans	-72.4	-37.8	-179.7	-62.9	0	0	0	0	112.6	Y222 K224 Y228 L229 T230 F252	Y222-C226 WeakPolarHBondContact O-CB 3.38Å; Y222-C226 PolarHBondContact O-N 3.18Å; Y222-C226 PolarHBondContact O-SG 2.87Å; K224-C226 VanDerWaalsContact C-N 3.32Å; K224-C226 PolarHBondContact O-N 2.98Å; C226-Y228 VanDerWaalsContact C-N 3.3Å; C226-L229 PolarHBondContact O-N 3.39Å; C226-T230 WeakPolarHBondContact O-CB 3.28Å; C226-T230 PolarHBondContact O-N 3.32Å; C226-T230 PolarHBondContact O-OG1 3.37Å; C226-F252 HydrophobicContact CB-CE1 3.93Å; C226-F252 HydrophobicContact CB-CE2 3.56Å; C226-F252 HydrophobicContact CB-CZ 3.17Å; C226-F252 VanDerWaalsContact SG-CE2 3.6Å; C226-F252 WeakPolarHBondContact SG-CZ 3.38Å
227	L	67.7	Low	63	Low	96 Å²	96	58.3 Å²	58.3	50%	0.503	31%	0.307	S	S	.	.	H	α-helix	trans	-61.2	-42.1	171.5	-77.1	168.4	0	0	0	111	G223 K224 T230 S231	G223-L227 WeakPolarHBondContact O-CB 3.42Å; G223-L227 WeakPolarHBondContact O-CD1 3.46Å; G223-L227 WeakPolarHBondContact O-CG 3.44Å; G223-L227 PolarHBondContact O-N 2.87Å; G223-L227 VanDerWaalsContact O-N 3.12Å; K224-L227 PolarHBondContact O-N 3.15Å; L227-T230 PolarHBondContact O-N 2.72Å; L227-S231 PolarHBondContact O-N 3.25Å; L227-S231 PolarHBondContact O-OG 3.1Å
228	Y	69.7	Low	62.5	Low	61 Å²	61	61.9 Å²	61.9	24%	0.239	32%	0.323	C	S	.	.	H	α-helix	trans	-61.7	-53.2	176.1	-172.7	-109	0	0	0	111	H198 C201 D202 K224 V225 C226 T230 S231 C232	H198-Y228 HydrophobicContact CB-CD2 4.31Å; H198-Y228 HydrophobicContact CB-CE1 4.36Å; H198-Y228 HydrophobicContact CB-CE2 4.06Å; C201-Y228 HydrophobicContact CB-CD1 3.71Å; C201-Y228 HydrophobicContact CB-CE1 3.74Å; D202-Y228 VanDerWaalsContact CG-OH 3.3Å; D202-Y228 WeakPolarHBondContact OD1-CE1 3.5Å; D202-Y228 PolarHBondContact OD1-OH 3.05Å; D202-Y228 PolarHBondContact OD2-OH 2.83Å; K224-Y228 VanDerWaalsContact O-CB 3.28Å; K224-Y228 WeakPolarHBondContact O-CB 3.48Å; K224-Y228 PolarHBondContact O-N 3.2Å; V225-Y228 WeakPolarHBondContact O-CB 3.33Å; V225-Y228 PolarHBondContact O-N 3.29Å; C226-Y228 VanDerWaalsContact C-N 3.3Å; Y228-T230 VanDerWaalsContact C-N 3.28Å; Y228-T230 PolarHBondContact O-N 3.19Å; Y228-S231 CarbonylContact O-C 3.55Å; Y228-S231 WeakPolarHBondContact O-CA 3.24Å; Y228-S231 PolarHBondContact O-N 3.35Å; Y228-S231 PolarHBondContact O-OG 3.23Å; Y228-C232 VanDerWaalsContact CE1-SG 3.53Å; Y228-C232 PolarHBondContact O-N 3.4Å; Y228-C232 PolarHBondContact O-SG 3.36Å
229	L	67.7	Low	62.5	Low	3 Å²	3	60.8 Å²	60.8	2%	0.016	32%	0.322	C	S	.	.	H	α-helix	trans	-58.3	-41.8	179	-145.4	85.4	0	0	0	111.9	V225 C226 S231 C232 V233 L244 A248	V225-L229 WeakPolarHBondContact O-CB 3.08Å; V225-L229 PolarHBondContact O-N 3.15Å; C226-L229 PolarHBondContact O-N 3.39Å; L229-S231 VanDerWaalsContact C-N 3.3Å; L229-S231 PolarHBondContact O-N 3.05Å; L229-C232 PolarHBondContact O-N 3.47Å; L229-V233 VanDerWaalsContact O-CG2 3.32Å; L229-V233 WeakPolarHBondContact O-CG2 3.22Å; L229-V233 PolarHBondContact O-N 3.09Å; L229-L244 HydrophobicContact CD1-CD2 3.83Å; L229-L244 HydrophobicContact CD2-CB 4.32Å; L229-L244 WeakPolarHBondContact CD2-O 3.37Å; L229-L244 HydrophobicContact CG-CB 4.43Å; L229-L244 HydrophobicContact CG-CD2 4.19Å; L229-A248 HydrophobicContact CD2-CB 3.39Å
230	T	65.9	Low	62.7	Low	21 Å²	21	57.8 Å²	57.8	13%	0.129	31%	0.308	C	S	.	.	H	α-helix	trans	-65.9	-32.3	177.1	-50.5	0	0	0	0	112	C226 L227 Y228 V233	C226-T230 WeakPolarHBondContact O-CB 3.28Å; C226-T230 PolarHBondContact O-N 3.32Å; C226-T230 PolarHBondContact O-OG1 3.37Å; L227-T230 PolarHBondContact O-N 2.72Å; Y228-T230 VanDerWaalsContact C-N 3.28Å; Y228-T230 PolarHBondContact O-N 3.19Å; T230-V233 WeakPolarHBondContact O-CB 3.33Å
231	S	65.3	Low	62.9	Low	42 Å²	42	51.6 Å²	51.6	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-75.1	-33.9	173.1	67	0	0	0	0	112.6	L227 Y228 L229 V233 S234 Y235	L227-S231 PolarHBondContact O-N 3.25Å; L227-S231 PolarHBondContact O-OG 3.1Å; Y228-S231 CarbonylContact O-C 3.55Å; Y228-S231 WeakPolarHBondContact O-CA 3.24Å; Y228-S231 PolarHBondContact O-N 3.35Å; Y228-S231 PolarHBondContact O-OG 3.23Å; L229-S231 VanDerWaalsContact C-N 3.3Å; L229-S231 PolarHBondContact O-N 3.05Å; S231-V233 VanDerWaalsContact C-N 3.28Å; S231-V233 PolarHBondContact O-N 2.9Å; S231-S234 PolarHBondContact O-N 3.12Å; S231-Y235 WeakPolarHBondContact O-CD2 3.06Å; S231-Y235 WeakPolarHBondContact O-CE2 3.32Å
232	C	64.4	Low	63.2	Low	12 Å²	12	53.1 Å²	53.1	8%	0.081	29%	0.285	C	S	.	.	H	α-helix	trans	-67.4	-29	176.2	-64.9	0	0	0	0	112.5	M205 Y228 L229 S234 Y235 V236	M205-C232 HydrophobicContact CE-CB 3.94Å; Y228-C232 VanDerWaalsContact CE1-SG 3.53Å; Y228-C232 PolarHBondContact O-N 3.4Å; Y228-C232 PolarHBondContact O-SG 3.36Å; L229-C232 PolarHBondContact O-N 3.47Å; C232-S234 PolarHBondContact O-N 3.37Å; C232-Y235 PolarHBondContact O-N 3.27Å; C232-V236 WeakPolarHBondContact O-CG2 3.47Å; C232-V236 PolarHBondContact O-N 3.36Å; C232-V236 VanDerWaalsContact O-N 3.17Å
233	V	61.8	Low	63.5	Low	21 Å²	21	53.5 Å²	53.5	13%	0.127	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-36.9	176.1	154.5	0	0	0	0	112.8	L229 T230 S231 Y235 N241 L245	L229-V233 VanDerWaalsContact O-CG2 3.32Å; L229-V233 WeakPolarHBondContact O-CG2 3.22Å; L229-V233 PolarHBondContact O-N 3.09Å; T230-V233 WeakPolarHBondContact O-CB 3.33Å; S231-V233 VanDerWaalsContact C-N 3.28Å; S231-V233 PolarHBondContact O-N 2.9Å; V233-Y235 VanDerWaalsContact C-N 3.3Å; V233-Y235 PolarHBondContact O-N 3.14Å; V233-N241 WeakPolarHBondContact CG1-OD1 3.48Å; V233-N241 WeakPolarHBondContact CG2-OD1 3.46Å; V233-N241 PolarHBondContact O-ND2 3.46Å; V233-L245 HydrophobicContact CG1-CD1 4.45Å; V233-L245 HydrophobicContact CG1-CD2 4.3Å; V233-L245 HydrophobicContact CG1-CG 4.48Å; V233-L245 HydrophobicContact CG2-CD2 3.61Å; V233-L245 HydrophobicContact CG2-CG 3.74Å
234	S	61.2	Low	63.7	Low	62 Å²	62	52.1 Å²	52.1	43%	0.434	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-22	177.9	-57.4	0	0	0	0	113.5	S231 C232	S231-S234 PolarHBondContact O-N 3.12Å; C232-S234 PolarHBondContact O-N 3.37Å
235	Y	64.8	Low	63.9	Low	176 Å²	176	47.4 Å²	47.4	69%	0.69	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-11.7	-175.1	-61.4	-67.7	0	0	0	113.7	S231 C232 V233	S231-Y235 WeakPolarHBondContact O-CD2 3.06Å; S231-Y235 WeakPolarHBondContact O-CE2 3.32Å; C232-Y235 PolarHBondContact O-N 3.27Å; V233-Y235 VanDerWaalsContact C-N 3.3Å; V233-Y235 PolarHBondContact O-N 3.14Å
236	V	63.3	Low	64.2	Low	22 Å²	22	53.4 Å²	53.4	13%	0.133	28%	0.284	C	S	.	.	S	Bend	trans	-102.9	132.3	-175	175.9	0	0	0	0	110.3	M205 C232 E240 L244	M205-V236 HydrophobicContact CE-CG2 4.29Å; M205-V236 HydrophobicContact SD-CG2 4.27Å; C232-V236 WeakPolarHBondContact O-CG2 3.47Å; C232-V236 PolarHBondContact O-N 3.36Å; C232-V236 VanDerWaalsContact O-N 3.17Å; V236-E240 HydrophobicContact CG1-CB 3.46Å; V236-E240 VanDerWaalsContact CG1-CB 3.46Å; V236-L244 HydrophobicContact CB-CD1 4.01Å; V236-L244 HydrophobicContact CG1-CD1 3.85Å; V236-L244 HydrophobicContact CG2-CD1 3.88Å
237	P	57.6	Low	64.4	Low	86 Å²	86	53.6 Å²	53.6	56%	0.558	29%	0.285	S	S	*	.			trans	-66.8	152	177	27.4	-33.6	0	0	0	112.9	E240 N241	P237-E240 PolarHBondContact O-N 2.66Å; P237-N241 PolarHBondContact O-N 3.47Å
238	E	48.6	Very low	64.3	Low	93 Å²	93	49.1 Å²	49.1	44%	0.435	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	114.2	166.7	-66	178	176.6	0	0	107.7	N241	E238-N241 HydrophobicContact CG-CB 4.43Å
239	P	58.6	Low	64.3	Low	82 Å²	82	46.3 Å²	46.3	53%	0.532	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn		-114.4	-13	52.8	3.9	19	0	0	0	115.4	N241 S242	P239-N241 VanDerWaalsContact C-N 3.3Å; P239-N241 PolarHBondContact O-N 3.35Å; P239-S242 PolarHBondContact O-N 2.85Å; P239-S242 PolarHBondContact O-OG 3.1Å
240	E	60.4	Low	64.4	Low	91 Å²	91	49.9 Å²	49.9	43%	0.425	27%	0.27	S	S	.	.	H	α-helix	trans	-67	-31.4	-179	-74.7	169.2	-156	0	0	112.1	V236 P237 S242 A243 L244	V236-E240 HydrophobicContact CG1-CB 3.46Å; V236-E240 VanDerWaalsContact CG1-CB 3.46Å; P237-E240 PolarHBondContact O-N 2.66Å; E240-S242 VanDerWaalsContact C-N 3.3Å; E240-S242 PolarHBondContact O-N 2.92Å; E240-A243 WeakPolarHBondContact O-CB 3.45Å; E240-A243 PolarHBondContact O-N 3.09Å; E240-A243 VanDerWaalsContact O-N 3.13Å; E240-L244 WeakPolarHBondContact O-CG 3.47Å; E240-L244 PolarHBondContact O-N 3.49Å
241	N	64.3	Low	64.6	Low	23 Å²	23	49 Å²	49	12%	0.123	26%	0.264	C	S	.	.	H	α-helix	trans	-55.5	-43.5	173.6	-173.6	3.3	0	0	0	112.3	V233 P237 E238 P239 A243 L244 L245	V233-N241 WeakPolarHBondContact CG1-OD1 3.48Å; V233-N241 WeakPolarHBondContact CG2-OD1 3.46Å; V233-N241 PolarHBondContact O-ND2 3.46Å; P237-N241 PolarHBondContact O-N 3.47Å; E238-N241 HydrophobicContact CG-CB 4.43Å; P239-N241 VanDerWaalsContact C-N 3.3Å; P239-N241 PolarHBondContact O-N 3.35Å; N241-A243 VanDerWaalsContact C-N 3.33Å; N241-A243 PolarHBondContact O-N 3.08Å; N241-L244 PolarHBondContact O-N 2.84Å; N241-L245 WeakPolarHBondContact O-CB 3.17Å; N241-L245 WeakPolarHBondContact O-CG 3.46Å; N241-L245 PolarHBondContact O-N 2.89Å; N241-L245 WeakPolarHBondContact OD1-CD1 3.46Å
242	S	66.4	Low	64.7	Low	39 Å²	39	47.6 Å²	47.6	27%	0.273	25%	0.253	S	S	.	.	H	α-helix	trans	-65.1	-36.8	178	77	0	0	0	0	112.4	P239 E240 R246	P239-S242 PolarHBondContact O-N 2.85Å; P239-S242 PolarHBondContact O-OG 3.1Å; E240-S242 VanDerWaalsContact C-N 3.3Å; E240-S242 PolarHBondContact O-N 2.92Å; S242-R246 WeakPolarHBondContact O-CB 3.3Å; S242-R246 WeakPolarHBondContact O-CG 3.33Å; S242-R246 PolarHBondContact O-N 3.15Å
243	A	68	Low	64.9	Low	48 Å²	48	50.3 Å²	50.3	40%	0.397	26%	0.262	S	S	.	.	H	α-helix	trans	-70	-40.8	177.3	0	0	0	0	0	111.6	E240 N241 R246 C247	E240-A243 WeakPolarHBondContact O-CB 3.45Å; E240-A243 PolarHBondContact O-N 3.09Å; E240-A243 VanDerWaalsContact O-N 3.13Å; N241-A243 VanDerWaalsContact C-N 3.33Å; N241-A243 PolarHBondContact O-N 3.08Å; A243-R246 PolarHBondContact O-N 3.1Å; A243-C247 WeakPolarHBondContact O-CB 3.49Å; A243-C247 PolarHBondContact O-N 3.39Å
244	L	67.5	Low	65.2	Low	2 Å²	2	54.6 Å²	54.6	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-61.3	-50.8	173.7	-71.6	165.2	0	0	0	111	M205 L210 L229 V236 E240 N241 R246 C247 A248	M205-L244 HydrophobicContact CE-CD1 3.83Å; M205-L244 HydrophobicContact CE-CD2 3.64Å; M205-L244 HydrophobicContact CE-CG 4.41Å; L210-L244 HydrophobicContact CD1-CD2 3.44Å; L210-L244 VanDerWaalsContact CD1-CD2 3.44Å; L210-L244 HydrophobicContact CD1-CG 3.95Å; L210-L244 HydrophobicContact CD2-CD2 3.68Å; L210-L244 HydrophobicContact CG-CD2 4.2Å; L229-L244 HydrophobicContact CD1-CD2 3.83Å; L229-L244 HydrophobicContact CD2-CB 4.32Å; L229-L244 WeakPolarHBondContact CD2-O 3.37Å; L229-L244 HydrophobicContact CG-CB 4.43Å; L229-L244 HydrophobicContact CG-CD2 4.19Å; V236-L244 HydrophobicContact CB-CD1 4.01Å; V236-L244 HydrophobicContact CG1-CD1 3.85Å; V236-L244 HydrophobicContact CG2-CD1 3.88Å; E240-L244 WeakPolarHBondContact O-CG 3.47Å; E240-L244 PolarHBondContact O-N 3.49Å; N241-L244 PolarHBondContact O-N 2.84Å; L244-R246 VanDerWaalsContact C-N 3.31Å; L244-R246 PolarHBondContact O-N 3.23Å; L244-C247 WeakPolarHBondContact O-CB 3.32Å; L244-C247 PolarHBondContact O-N 3.37Å; L244-C247 VanDerWaalsContact O-N 3.11Å; L244-A248 PolarHBondContact O-N 3.09Å
245	L	69.5	Low	65.2	Low	11 Å²	11	53.9 Å²	53.9	6%	0.058	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-40.9	177.4	-73.9	170.6	0	0	0	112.1	V233 N241 A248 L249 L264 M267 L268	V233-L245 HydrophobicContact CG1-CD1 4.45Å; V233-L245 HydrophobicContact CG1-CD2 4.3Å; V233-L245 HydrophobicContact CG1-CG 4.48Å; V233-L245 HydrophobicContact CG2-CD2 3.61Å; V233-L245 HydrophobicContact CG2-CG 3.74Å; N241-L245 WeakPolarHBondContact O-CB 3.17Å; N241-L245 WeakPolarHBondContact O-CG 3.46Å; N241-L245 PolarHBondContact O-N 2.89Å; N241-L245 WeakPolarHBondContact OD1-CD1 3.46Å; L245-A248 PolarHBondContact O-N 3.47Å; L245-L249 VanDerWaalsContact O-CB 3.25Å; L245-L249 WeakPolarHBondContact O-CB 3.28Å; L245-L249 PolarHBondContact O-N 3.46Å; L245-L264 HydrophobicContact CD2-CD2 3.36Å; L245-M267 HydrophobicContact CD1-CB 4.46Å; L245-M267 HydrophobicContact CD2-SD 4.11Å; L245-L268 HydrophobicContact CB-CD1 3.85Å; L245-L268 HydrophobicContact CB-CD2 3.62Å; L245-L268 HydrophobicContact CB-CG 3.73Å; L245-L268 HydrophobicContact CD1-CD2 3.85Å; L245-L268 HydrophobicContact CD1-CG 4.13Å; L245-L268 HydrophobicContact CG-CD2 4.4Å
246	R	72.3	Confident	65.1	Low	127 Å²	127	50.4 Å²	50.4	48%	0.479	26%	0.261	S	S	.	.	H	α-helix	trans	-64.4	-38.7	174.6	-76.5	173	175.4	179.7	-0.5	112.4	S242 A243 L244 L249 N250 L268	S242-R246 WeakPolarHBondContact O-CB 3.3Å; S242-R246 WeakPolarHBondContact O-CG 3.33Å; S242-R246 PolarHBondContact O-N 3.15Å; A243-R246 PolarHBondContact O-N 3.1Å; L244-R246 VanDerWaalsContact C-N 3.31Å; L244-R246 PolarHBondContact O-N 3.23Å; R246-L249 PolarHBondContact O-N 3.46Å; R246-N250 PolarHBondContact O-N 3.43Å; R246-N250 PolarHBondContact O-ND2 2.86Å; R246-L268 HydrophobicContact CG-CD1 3.76Å; R246-L268 HydrophobicContact CG-CD2 4.44Å
247	C	66.9	Low	65.2	Low	8 Å²	8	53.5 Å²	53.5	5%	0.054	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-49.3	174.4	-178.6	0	0	0	0	111.5	L210 A243 L244 L249 N250 I251	L210-C247 HydrophobicContact CB-CB 4.03Å; L210-C247 PolarHBondContact O-SG 3.39Å; A243-C247 WeakPolarHBondContact O-CB 3.49Å; A243-C247 PolarHBondContact O-N 3.39Å; L244-C247 WeakPolarHBondContact O-CB 3.32Å; L244-C247 PolarHBondContact O-N 3.37Å; L244-C247 VanDerWaalsContact O-N 3.11Å; C247-L249 VanDerWaalsContact C-N 3.27Å; C247-L249 PolarHBondContact O-N 3.21Å; C247-N250 PolarHBondContact O-N 3.34Å; C247-N250 VanDerWaalsContact O-N 3.15Å; C247-I251 VanDerWaalsContact O-CG1 3.28Å; C247-I251 WeakPolarHBondContact O-CG1 3.49Å; C247-I251 PolarHBondContact O-N 2.9Å
248	A	67	Low	65.6	Low	1 Å²	1	51 Å²	51	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-55.1	-44.3	173.3	0	0	0	0	0	111.6	L229 L244 L245 N250 I251 F252 L264	L229-A248 HydrophobicContact CD2-CB 3.39Å; L244-A248 PolarHBondContact O-N 3.09Å; L245-A248 PolarHBondContact O-N 3.47Å; A248-N250 PolarHBondContact O-N 3.06Å; A248-I251 WeakPolarHBondContact O-CB 3.47Å; A248-I251 PolarHBondContact O-N 3.41Å; A248-I251 VanDerWaalsContact O-N 3.15Å; A248-F252 HydrophobicContact CB-CD2 4.45Å; A248-F252 HydrophobicContact CB-CE2 4.39Å; A248-F252 WeakPolarHBondContact O-CD2 3.48Å; A248-F252 PolarHBondContact O-N 3.46Å; A248-L264 HydrophobicContact CB-CD1 4.13Å
249	L	69.3	Low	66.3	Low	2 Å²	2	47 Å²	47	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-45.6	178.2	-172.1	171.7	0	0	0	111.3	L245 R246 C247 I251 F252 R253 A265 L268 L273 I277	L245-L249 VanDerWaalsContact O-CB 3.25Å; L245-L249 WeakPolarHBondContact O-CB 3.28Å; L245-L249 PolarHBondContact O-N 3.46Å; R246-L249 PolarHBondContact O-N 3.46Å; C247-L249 VanDerWaalsContact C-N 3.27Å; C247-L249 PolarHBondContact O-N 3.21Å; L249-I251 VanDerWaalsContact C-N 3.28Å; L249-I251 PolarHBondContact O-N 2.98Å; L249-F252 PolarHBondContact O-N 3.3Å; L249-R253 HydrophobicContact CD2-CG 3.93Å; L249-R253 WeakPolarHBondContact O-CG 3.38Å; L249-R253 PolarHBondContact O-N 2.84Å; L249-A265 HydrophobicContact CD1-CB 3.82Å; L249-L268 HydrophobicContact CD1-CD1 3.99Å; L249-L273 HydrophobicContact CD1-CD1 4.32Å; L249-I277 HydrophobicContact CD1-CD1 4.15Å; L249-I277 HydrophobicContact CD2-CD1 4.03Å; L249-I277 HydrophobicContact CG-CD1 4.13Å
250	N	69.1	Low	66.6	Low	79 Å²	79	44.4 Å²	44.4	42%	0.422	21%	0.213	S	C	.	.	H	α-helix	trans	-62.1	-36.6	176	-74.3	-25.8	0	0	0	112.5	R246 C247 A248 R253 K254	R246-N250 PolarHBondContact O-N 3.43Å; R246-N250 PolarHBondContact O-ND2 2.86Å; C247-N250 PolarHBondContact O-N 3.34Å; C247-N250 VanDerWaalsContact O-N 3.15Å; A248-N250 PolarHBondContact O-N 3.06Å; N250-R253 PolarHBondContact O-N 3.32Å; N250-K254 PolarHBondContact O-N 3.33Å; N250-K254 VanDerWaalsContact O-N 3.07Å
251	I	69.6	Low	66.8	Low	1 Å²	1	40 Å²	40	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-49.1	173.7	-66.8	165.2	0	0	0	110.1	L213 I217 C247 A248 L249 R253 K254 F255	L213-I251 HydrophobicContact CB-CD1 4.46Å; L213-I251 HydrophobicContact CD2-CD1 3.91Å; I217-I251 HydrophobicContact CD1-CB 4.1Å; I217-I251 HydrophobicContact CD1-CD1 3.46Å; I217-I251 VanDerWaalsContact CD1-CD1 3.46Å; I217-I251 HydrophobicContact CD1-CG1 3.45Å; I217-I251 VanDerWaalsContact CD1-CG1 3.45Å; I217-I251 HydrophobicContact CD1-CG2 3.5Å; I217-I251 VanDerWaalsContact CD1-CG2 3.5Å; C247-I251 VanDerWaalsContact O-CG1 3.28Å; C247-I251 WeakPolarHBondContact O-CG1 3.49Å; C247-I251 PolarHBondContact O-N 2.9Å; A248-I251 WeakPolarHBondContact O-CB 3.47Å; A248-I251 PolarHBondContact O-N 3.41Å; A248-I251 VanDerWaalsContact O-N 3.15Å; L249-I251 VanDerWaalsContact C-N 3.28Å; L249-I251 PolarHBondContact O-N 2.98Å; I251-R253 VanDerWaalsContact C-N 3.3Å; I251-R253 PolarHBondContact O-N 3.02Å; I251-K254 WeakPolarHBondContact O-CB 3.21Å; I251-K254 PolarHBondContact O-N 3.07Å; I251-K254 VanDerWaalsContact O-N 3.09Å; I251-F255 HydrophobicContact CG2-CD2 3.79Å; I251-F255 HydrophobicContact CG2-CE2 3.8Å; I251-F255 WeakPolarHBondContact O-CD2 2.9Å; I251-F255 PolarHBondContact O-N 2.66Å; I251-F255 VanDerWaalsContact O-N 3.09Å
252	F	67.9	Low	66.9	Low	14 Å²	14	39 Å²	39	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-34.3	178	-76.7	-65.4	0	0	0	113.5	C226 A248 L249 F255 N256 R257 E260 A261 L264	C226-F252 HydrophobicContact CB-CE1 3.93Å; C226-F252 HydrophobicContact CB-CE2 3.56Å; C226-F252 HydrophobicContact CB-CZ 3.17Å; C226-F252 VanDerWaalsContact SG-CE2 3.6Å; C226-F252 WeakPolarHBondContact SG-CZ 3.38Å; A248-F252 HydrophobicContact CB-CD2 4.45Å; A248-F252 HydrophobicContact CB-CE2 4.39Å; A248-F252 WeakPolarHBondContact O-CD2 3.48Å; A248-F252 PolarHBondContact O-N 3.46Å; L249-F252 PolarHBondContact O-N 3.3Å; F252-F255 PolarHBondContact O-N 2.53Å; F252-N256 PolarHBondContact O-N 2.7Å; F252-R257 HydrophobicContact CD1-CB 4.02Å; F252-R257 PolarHBondContact O-N 3.44Å; F252-R257 VanDerWaalsContact O-N 3.13Å; F252-E260 HydrophobicContact CD1-CB 3.85Å; F252-E260 HydrophobicContact CE1-CB 3.66Å; F252-E260 HydrophobicContact CE1-CG 4.17Å; F252-E260 HydrophobicContact CE2-CB 4.43Å; F252-E260 HydrophobicContact CG-CB 4.28Å; F252-E260 HydrophobicContact CZ-CB 3.93Å; F252-A261 HydrophobicContact CB-CB 3.75Å; F252-L264 HydrophobicContact CD2-CD1 3.21Å; F252-L264 HydrophobicContact CE2-CD1 3.12Å; F252-L264 HydrophobicContact CG-CD1 4.4Å; F252-L264 HydrophobicContact CZ-CD1 4.23Å
253	R	68.6	Low	66.7	Low	68 Å²	68	38.7 Å²	38.7	26%	0.257	18%	0.18	S	C	.	.	H	α-helix	trans	-62	-43.5	170.9	-77.8	179.1	175.9	-178.7	2.9	111.8	L249 N250 I251 F255 N256 L273	L249-R253 HydrophobicContact CD2-CG 3.93Å; L249-R253 WeakPolarHBondContact O-CG 3.38Å; L249-R253 PolarHBondContact O-N 2.84Å; N250-R253 PolarHBondContact O-N 3.32Å; I251-R253 VanDerWaalsContact C-N 3.3Å; I251-R253 PolarHBondContact O-N 3.02Å; R253-F255 VanDerWaalsContact C-N 3.3Å; R253-F255 PolarHBondContact O-N 2.76Å; R253-N256 PolarHBondContact O-N 3.02Å; R253-L273 VanDerWaalsContact NH2-CD2 3.34Å; R253-L273 PolarHBondContact NH2-O 3.02Å
254	K	67.8	Low	66.6	Low	111 Å²	111	36.7 Å²	36.7	48%	0.483	16%	0.162	S	C	.	.	H	α-helix	trans	-64	-33.4	177.1	-77.6	-179.9	167.8	-178.1	0	112.6	G214 D215 N250 I251	G214-K254 VanDerWaalsContact O-CD 3.28Å; G214-K254 WeakPolarHBondContact O-CD 3.41Å; G214-K254 PolarHBondContact O-NZ 3.16Å; D215-K254 IonicContact OD1-NZ 3.36Å; D215-K254 PolarHBondContact OD1-NZ 3.44Å; N250-K254 PolarHBondContact O-N 3.33Å; N250-K254 VanDerWaalsContact O-N 3.07Å; I251-K254 WeakPolarHBondContact O-CB 3.21Å; I251-K254 PolarHBondContact O-N 3.07Å; I251-K254 VanDerWaalsContact O-N 3.09Å
255	F	61.5	Low	66.5	Low	47 Å²	47	36.6 Å²	36.6	21%	0.206	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	10.5	179.2	-70.8	-68.4	0	0	0	115.1	I217 E219 Y222 I251 F252 R253 R257	I217-F255 HydrophobicContact CB-CE2 3.76Å; I217-F255 HydrophobicContact CB-CZ 3.72Å; I217-F255 HydrophobicContact CD1-CE2 4.42Å; I217-F255 HydrophobicContact CG2-CE2 3.41Å; I217-F255 VanDerWaalsContact CG2-CE2 3.41Å; I217-F255 HydrophobicContact CG2-CZ 3.43Å; I217-F255 VanDerWaalsContact CG2-CZ 3.43Å; I217-F255 WeakPolarHBondContact O-CZ 3.47Å; E219-F255 HydrophobicContact CG-CE1 4.4Å; Y222-F255 AromaticContact CD1-CD1 3.91Å; Y222-F255 HydrophobicContact CD1-CD1 3.91Å; Y222-F255 HydrophobicContact CD1-CD2 4.42Å; Y222-F255 HydrophobicContact CD1-CE1 4.11Å; Y222-F255 HydrophobicContact CD1-CG 4.1Å; Y222-F255 HydrophobicContact CD1-CZ 4.47Å; Y222-F255 HydrophobicContact CE1-CD1 4.43Å; Y222-F255 HydrophobicContact CG-CD1 4.39Å; Y222-F255 HydrophobicContact CG-CD2 4.11Å; Y222-F255 HydrophobicContact CG-CE2 4.42Å; Y222-F255 HydrophobicContact CG-CG 4.13Å; I251-F255 HydrophobicContact CG2-CD2 3.79Å; I251-F255 HydrophobicContact CG2-CE2 3.8Å; I251-F255 WeakPolarHBondContact O-CD2 2.9Å; I251-F255 PolarHBondContact O-N 2.66Å; I251-F255 VanDerWaalsContact O-N 3.09Å; F252-F255 PolarHBondContact O-N 2.53Å; R253-F255 VanDerWaalsContact C-N 3.3Å; R253-F255 PolarHBondContact O-N 2.76Å; F255-R257 PolarHBondContact O-N 2.91Å; F255-R257 VanDerWaalsContact O-N 3.11Å
256	N	63.3	Low	66.3	Low	104 Å²	104	36.4 Å²	36.4	56%	0.556	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	28.6	179.6	-59.4	-47.2	0	0	0	114.1	F252 R253 Y258	F252-N256 PolarHBondContact O-N 2.7Å; R253-N256 PolarHBondContact O-N 3.02Å; N256-Y258 HydrophobicContact CB-CE2 4.02Å; N256-Y258 WeakPolarHBondContact O-CD2 3.17Å; N256-Y258 PolarHBondContact O-N 2.9Å; N256-Y258 PolarHBondContact OD1-OH 3.23Å
257	R	65.3	Low	65.7	Low	86 Å²	86	32.9 Å²	32.9	33%	0.325	15%	0.15	S	C	.	.			trans	-100.3	74.9	177.4	-83.8	-147.6	-173.6	-162.6	0.1	109.9	Y222 F252 F255 E260 A261	Y222-R257 VanDerWaalsContact OH-CZ 3.29Å; Y222-R257 PolarHBondContact OH-NE 3.35Å; Y222-R257 PolarHBondContact OH-NH2 2.89Å; F252-R257 HydrophobicContact CD1-CB 4.02Å; F252-R257 PolarHBondContact O-N 3.44Å; F252-R257 VanDerWaalsContact O-N 3.13Å; F255-R257 PolarHBondContact O-N 2.91Å; F255-R257 VanDerWaalsContact O-N 3.11Å; R257-E260 WeakPolarHBondContact CB-OE2 3.35Å; R257-E260 WeakPolarHBondContact CD-OE1 3.37Å; R257-E260 WeakPolarHBondContact CD-OE2 3.37Å; R257-E260 IonicContact CZ-OE1 2.69Å; R257-E260 IonicContact NE-OE1 3Å; R257-E260 IonicContact NH1-OE1 3.5Å; R257-E260 PolarHBondContact NH1-OE1 3.41Å; R257-A261 WeakPolarHBondContact O-CB 2.94Å; R257-A261 PolarHBondContact O-N 2.88Å
258	Y	66	Low	65.6	Low	35 Å²	35	34.1 Å²	34.1	14%	0.137	16%	0.156	C	C	.	.	H	α-helix	trans	-68.2	-34.1	-173.7	-56.6	-80.9	0	0	0	115.2	N256 A261 L262 I277 S280 C281 I286	N256-Y258 HydrophobicContact CB-CE2 4.02Å; N256-Y258 WeakPolarHBondContact O-CD2 3.17Å; N256-Y258 PolarHBondContact O-N 2.9Å; N256-Y258 PolarHBondContact OD1-OH 3.23Å; Y258-A261 PolarHBondContact O-N 3.48Å; Y258-L262 WeakPolarHBondContact O-CB 3.18Å; Y258-L262 PolarHBondContact O-N 2.88Å; Y258-I277 HydrophobicContact CD1-CG2 4.23Å; Y258-S280 PolarHBondContact OH-O 3.43Å; Y258-C281 WeakPolarHBondContact CB-SG 3.35Å; Y258-C281 WeakPolarHBondContact CD1-SG 3.19Å; Y258-I286 HydrophobicContact CD2-CG2 4.46Å
259	P	62.1	Low	65.4	Low	7 Å²	7	34.9 Å²	34.9	5%	0.045	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-41.3	176.8	-24.5	35.7	0	0	0	113.8	R263 I286 M293	P259-R263 PolarHBondContact O-N 2.7Å; P259-I286 HydrophobicContact CG-CG2 4.13Å; P259-M293 HydrophobicContact CB-CE 4.32Å
260	E	65.1	Low	65.1	Low	28 Å²	28	36.9 Å²	36.9	13%	0.131	17%	0.171	C	C	.	.	H	α-helix	trans	-71	-37.7	173.9	-64.5	107.2	142.2	0	0	112	F252 R257 L262 R263 L264 P890	F252-E260 HydrophobicContact CD1-CB 3.85Å; F252-E260 HydrophobicContact CE1-CB 3.66Å; F252-E260 HydrophobicContact CE1-CG 4.17Å; F252-E260 HydrophobicContact CE2-CB 4.43Å; F252-E260 HydrophobicContact CG-CB 4.28Å; F252-E260 HydrophobicContact CZ-CB 3.93Å; R257-E260 WeakPolarHBondContact CB-OE2 3.35Å; R257-E260 WeakPolarHBondContact CD-OE1 3.37Å; R257-E260 WeakPolarHBondContact CD-OE2 3.37Å; R257-E260 IonicContact CZ-OE1 2.69Å; R257-E260 IonicContact NE-OE1 3Å; R257-E260 IonicContact NH1-OE1 3.5Å; R257-E260 PolarHBondContact NH1-OE1 3.41Å; E260-L262 VanDerWaalsContact C-N 3.33Å; E260-L262 PolarHBondContact O-N 2.83Å; E260-R263 WeakPolarHBondContact O-CB 3.32Å; E260-R263 PolarHBondContact O-N 3.38Å; E260-L264 PolarHBondContact O-N 2.87Å; E260-L264 VanDerWaalsContact O-N 3.14Å; E260-P890 HydrophobicContact CG-CG 4.27Å; E260-P890 WeakPolarHBondContact OE1-CG 3.21Å
261	A	65	Low	64.8	Low	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.5	-43	175	0	0	0	0	0	111.8	F252 R257 Y258 L264 A265 I277	F252-A261 HydrophobicContact CB-CB 3.75Å; R257-A261 WeakPolarHBondContact O-CB 2.94Å; R257-A261 PolarHBondContact O-N 2.88Å; Y258-A261 PolarHBondContact O-N 3.48Å; A261-L264 PolarHBondContact O-N 3.45Å; A261-A265 WeakPolarHBondContact O-CB 3.44Å; A261-A265 PolarHBondContact O-N 2.87Å; A261-I277 HydrophobicContact CB-CD1 4.21Å; A261-I277 HydrophobicContact CB-CG2 4.3Å
262	L	66	Low	64.6	Low	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.3	-43	177.1	-175.8	68	0	0	0	111.3	Y258 E260 L264 A265 L266 V274 I277 M290 M293 L294	Y258-L262 WeakPolarHBondContact O-CB 3.18Å; Y258-L262 PolarHBondContact O-N 2.88Å; E260-L262 VanDerWaalsContact C-N 3.33Å; E260-L262 PolarHBondContact O-N 2.83Å; L262-L264 VanDerWaalsContact C-N 3.32Å; L262-L264 PolarHBondContact O-N 3.46Å; L262-A265 PolarHBondContact O-N 3.25Å; L262-L266 HydrophobicContact CG-CD1 4.19Å; L262-L266 HydrophobicContact CG-CG 4.49Å; L262-L266 WeakPolarHBondContact O-CB 3.22Å; L262-L266 VanDerWaalsContact O-CG 3.28Å; L262-L266 WeakPolarHBondContact O-CG 3.42Å; L262-L266 PolarHBondContact O-N 3.22Å; L262-V274 HydrophobicContact CD1-CB 4.45Å; L262-V274 HydrophobicContact CD1-CG1 3.57Å; L262-I277 HydrophobicContact CB-CG2 4.5Å; L262-M290 HydrophobicContact CB-CE 4.16Å; L262-M290 HydrophobicContact CD1-CE 4.09Å; L262-M290 HydrophobicContact CD2-CB 3.75Å; L262-M290 HydrophobicContact CD2-CE 3.9Å; L262-M290 HydrophobicContact CD2-CG 3.76Å; L262-M290 HydrophobicContact CG-CE 4.29Å; L262-M293 HydrophobicContact CD2-CB 4.39Å; L262-M293 HydrophobicContact CD2-SD 4.02Å; L262-M293 HydrophobicContact CG-SD 4.45Å; L262-L294 HydrophobicContact CD1-CD2 4.18Å; L262-L294 HydrophobicContact CD2-CD1 4.48Å; L262-L294 HydrophobicContact CD2-CD2 4.34Å; L262-L294 HydrophobicContact CD2-CG 4.06Å
263	R	63.9	Low	64.5	Low	33 Å²	33	44 Å²	44	13%	0.125	20%	0.203	C	C	.	.	H	α-helix	trans	-57.3	-45.7	175.8	-178.6	-176.5	-170.6	-170.3	8.6	111.8	P259 E260 L266 M267 S781 Q784 L785 I891	P259-R263 PolarHBondContact O-N 2.7Å; E260-R263 WeakPolarHBondContact O-CB 3.32Å; E260-R263 PolarHBondContact O-N 3.38Å; R263-L266 PolarHBondContact O-N 3.07Å; R263-M267 HydrophobicContact CG-CE 4.49Å; R263-M267 WeakPolarHBondContact O-CG 3.44Å; R263-M267 PolarHBondContact O-N 3.01Å; R263-S781 PolarHBondContact NH2-O 3.49Å; R263-Q784 VanDerWaalsContact NH1-OE1 3.08Å; R263-Q784 VanDerWaalsContact NH2-CB 3.3Å; R263-L785 HydrophobicContact CG-CD1 3.94Å; R263-L785 HydrophobicContact CG-CD2 3.8Å; R263-L785 HydrophobicContact CG-CG 3.86Å; R263-L785 WeakPolarHBondContact O-CD2 3.25Å; R263-I891 VanDerWaalsContact NH1-CD1 3.33Å
264	L	65.4	Low	64.4	Low	6 Å²	6	40.7 Å²	40.7	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-69.9	-34.6	178.4	-71.7	154.3	0	0	0	112.3	L245 A248 F252 E260 A261 L262 L266 M267 L268	L245-L264 HydrophobicContact CD2-CD2 3.36Å; A248-L264 HydrophobicContact CB-CD1 4.13Å; F252-L264 HydrophobicContact CD2-CD1 3.21Å; F252-L264 HydrophobicContact CE2-CD1 3.12Å; F252-L264 HydrophobicContact CG-CD1 4.4Å; F252-L264 HydrophobicContact CZ-CD1 4.23Å; E260-L264 PolarHBondContact O-N 2.87Å; E260-L264 VanDerWaalsContact O-N 3.14Å; A261-L264 PolarHBondContact O-N 3.45Å; L262-L264 VanDerWaalsContact C-N 3.32Å; L262-L264 PolarHBondContact O-N 3.46Å; L264-L266 VanDerWaalsContact C-N 3.33Å; L264-M267 HydrophobicContact CD2-SD 3.92Å; L264-M267 WeakPolarHBondContact O-CB 3.42Å; L264-M267 PolarHBondContact O-N 2.96Å; L264-L268 WeakPolarHBondContact O-CG 3.31Å; L264-L268 PolarHBondContact O-N 2.91Å
265	A	65.6	Low	64.3	Low	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-38	172.6	0	0	0	0	0	112	L249 A261 L262 M267 L268 N269 V274 I277	L249-A265 HydrophobicContact CD1-CB 3.82Å; A261-A265 WeakPolarHBondContact O-CB 3.44Å; A261-A265 PolarHBondContact O-N 2.87Å; L262-A265 PolarHBondContact O-N 3.25Å; A265-M267 VanDerWaalsContact C-N 3.34Å; A265-L268 PolarHBondContact O-N 2.99Å; A265-N269 PolarHBondContact O-N 3.42Å; A265-N269 VanDerWaalsContact O-N 3.07Å; A265-V274 HydrophobicContact CB-CG2 3.87Å; A265-I277 HydrophobicContact CB-CD1 3.48Å; A265-I277 VanDerWaalsContact CB-CD1 3.48Å
266	L	65.3	Low	64.6	Low	7 Å²	7	40.7 Å²	40.7	4%	0.037	20%	0.196	C	C	.	.	H	α-helix	trans	-67.6	-32.8	173.7	-70.7	170.6	0	0	0	112.2	L262 R263 L264 N269 V274 L294 H297 V299 L785	L262-L266 HydrophobicContact CG-CD1 4.19Å; L262-L266 HydrophobicContact CG-CG 4.49Å; L262-L266 WeakPolarHBondContact O-CB 3.22Å; L262-L266 VanDerWaalsContact O-CG 3.28Å; L262-L266 WeakPolarHBondContact O-CG 3.42Å; L262-L266 PolarHBondContact O-N 3.22Å; R263-L266 PolarHBondContact O-N 3.07Å; L264-L266 VanDerWaalsContact C-N 3.33Å; L266-N269 PolarHBondContact O-N 3.45Å; L266-V274 HydrophobicContact CD2-CG2 4.18Å; L266-L294 HydrophobicContact CD1-CD2 4.25Å; L266-L294 HydrophobicContact CD2-CD2 3.93Å; L266-H297 HydrophobicContact CD1-CB 4.49Å; L266-V299 HydrophobicContact CD2-CB 4.42Å; L266-V299 HydrophobicContact CD2-CG2 4.32Å; L266-L785 HydrophobicContact CB-CD2 4.03Å
267	M	59.5	Low	64.8	Low	54 Å²	54	35.8 Å²	35.8	27%	0.266	17%	0.17	S	C	.	.	H	α-helix	trans	-65.4	-39.3	170.7	-70.8	172.5	168.5	0	0	112.5	L245 R263 L264 A265 N269 Q784 L785	L245-M267 HydrophobicContact CD1-CB 4.46Å; L245-M267 HydrophobicContact CD2-SD 4.11Å; R263-M267 HydrophobicContact CG-CE 4.49Å; R263-M267 WeakPolarHBondContact O-CG 3.44Å; R263-M267 PolarHBondContact O-N 3.01Å; L264-M267 HydrophobicContact CD2-SD 3.92Å; L264-M267 WeakPolarHBondContact O-CB 3.42Å; L264-M267 PolarHBondContact O-N 2.96Å; A265-M267 VanDerWaalsContact C-N 3.34Å; M267-N269 PolarHBondContact O-N 3.18Å; M267-Q784 HydrophobicContact CE-CB 3.24Å; M267-Q784 HydrophobicContact CE-CG 4.31Å; M267-Q784 WeakPolarHBondContact CE-O 3.33Å; M267-L785 HydrophobicContact CG-CD2 3.88Å
268	L	64.1	Low	64.6	Low	33 Å²	33	31.8 Å²	31.8	17%	0.173	16%	0.155	C	C	.	.	H	α-helix	trans	-72	-13.5	175.9	-75.1	167.6	0	0	0	113	L245 R246 L249 L264 A265 D270	L245-L268 HydrophobicContact CB-CD1 3.85Å; L245-L268 HydrophobicContact CB-CD2 3.62Å; L245-L268 HydrophobicContact CB-CG 3.73Å; L245-L268 HydrophobicContact CD1-CD2 3.85Å; L245-L268 HydrophobicContact CD1-CG 4.13Å; L245-L268 HydrophobicContact CG-CD2 4.4Å; R246-L268 HydrophobicContact CG-CD1 3.76Å; R246-L268 HydrophobicContact CG-CD2 4.44Å; L249-L268 HydrophobicContact CD1-CD1 3.99Å; L264-L268 WeakPolarHBondContact O-CG 3.31Å; L264-L268 PolarHBondContact O-N 2.91Å; A265-L268 PolarHBondContact O-N 2.99Å; L268-D270 PolarHBondContact O-N 2.84Å
269	N	62.9	Low	64.7	Low	17 Å²	17	34.5 Å²	34.5	9%	0.091	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	41.9	180	-167.3	23.9	0	0	0	113.3	A265 L266 M267 M271 G524 Q788	A265-N269 PolarHBondContact O-N 3.42Å; A265-N269 VanDerWaalsContact O-N 3.07Å; L266-N269 PolarHBondContact O-N 3.45Å; M267-N269 PolarHBondContact O-N 3.18Å; N269-M271 WeakPolarHBondContact OD1-CE 3.32Å; N269-G524 PolarHBondContact ND2-O 3.29Å; N269-Q788 PolarHBondContact ND2-NE2 2.99Å
270	D	63.9	Low	64.9	Low	44 Å²	44	37.1 Å²	37.1	24%	0.235	19%	0.194	C	C	.	.			trans	-113.7	102	-178.3	-168.8	-15.8	0	0	0	110.1	L268 E272 L273 V274	L268-D270 PolarHBondContact O-N 2.84Å; D270-E272 VanDerWaalsContact C-N 3.28Å; D270-E272 PolarHBondContact O-N 3.25Å; D270-E272 PolarHBondContact OD1-N 3.38Å; D270-L273 HydrophobicContact CB-CB 4.13Å; D270-L273 HydrophobicContact CB-CD1 3.85Å; D270-L273 HydrophobicContact CB-CG 4.24Å; D270-L273 PolarHBondContact O-N 3.38Å; D270-L273 VanDerWaalsContact O-N 3.15Å; D270-L273 VanDerWaalsContact OD2-CD1 3.29Å; D270-L273 WeakPolarHBondContact OD2-CD1 3.18Å; D270-V274 WeakPolarHBondContact O-CG2 3.46Å; D270-V274 PolarHBondContact O-N 2.8Å; D270-V274 VanDerWaalsContact O-N 3.14Å
271	M	61.7	Low	64.5	Low	73 Å²	73	36 Å²	36	36%	0.36	19%	0.189	S	C	.	.	H	α-helix	trans	-62.7	-33.9	-172.8	-64.7	-64	130.6	0	0	112.4	N269 V274 E275 V299	N269-M271 WeakPolarHBondContact OD1-CE 3.32Å; M271-V274 PolarHBondContact O-N 3.44Å; M271-E275 PolarHBondContact O-N 3.29Å; M271-V299 HydrophobicContact CE-CG1 3.88Å; M271-V299 HydrophobicContact CE-CG2 4.12Å; M271-V299 HydrophobicContact SD-CG1 3.55Å; M271-V299 VanDerWaalsContact SD-CG1 3.55Å
272	E	65.4	Low	64.2	Low	140 Å²	140	45.6 Å²	45.6	65%	0.654	23%	0.23	S	C	*	.	H	α-helix	trans	-67.6	-38	177.4	-63.4	-176.5	-177.1	0	0	111.1	D270 N276	D270-E272 VanDerWaalsContact C-N 3.28Å; D270-E272 PolarHBondContact O-N 3.25Å; D270-E272 PolarHBondContact OD1-N 3.38Å; E272-N276 WeakPolarHBondContact O-CB 3.3Å; E272-N276 VanDerWaalsContact O-CG 3.23Å; E272-N276 PolarHBondContact O-N 3.35Å; E272-N276 PolarHBondContact O-ND2 2.91Å
273	L	66.9	Low	64.1	Low	30 Å²	30	48.4 Å²	48.4	16%	0.157	25%	0.246	C	C	.	.	H	α-helix	trans	-68.3	-36.4	176.2	-77.4	171.5	0	0	0	111.8	L249 R253 D270 I277	L249-L273 HydrophobicContact CD1-CD1 4.32Å; R253-L273 VanDerWaalsContact NH2-CD2 3.34Å; R253-L273 PolarHBondContact NH2-O 3.02Å; D270-L273 HydrophobicContact CB-CB 4.13Å; D270-L273 HydrophobicContact CB-CD1 3.85Å; D270-L273 HydrophobicContact CB-CG 4.24Å; D270-L273 PolarHBondContact O-N 3.38Å; D270-L273 VanDerWaalsContact O-N 3.15Å; D270-L273 VanDerWaalsContact OD2-CD1 3.29Å; D270-L273 WeakPolarHBondContact OD2-CD1 3.18Å; L273-I277 WeakPolarHBondContact O-CD1 3.16Å; L273-I277 WeakPolarHBondContact O-CG1 3.27Å; L273-I277 PolarHBondContact O-N 3.13Å; L273-I277 VanDerWaalsContact O-N 3.07Å
274	V	66.1	Low	64.2	Low	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.6	-47.6	176.1	179.8	0	0	0	0	110.1	L262 A265 L266 D270 M271 N276 I277 F278 L294 L301	L262-V274 HydrophobicContact CD1-CB 4.45Å; L262-V274 HydrophobicContact CD1-CG1 3.57Å; A265-V274 HydrophobicContact CB-CG2 3.87Å; L266-V274 HydrophobicContact CD2-CG2 4.18Å; D270-V274 WeakPolarHBondContact O-CG2 3.46Å; D270-V274 PolarHBondContact O-N 2.8Å; D270-V274 VanDerWaalsContact O-N 3.14Å; M271-V274 PolarHBondContact O-N 3.44Å; V274-N276 PolarHBondContact O-N 3.07Å; V274-I277 PolarHBondContact O-N 3.03Å; V274-F278 PolarHBondContact O-N 3.33Å; V274-L294 HydrophobicContact CG1-CD2 3.87Å; V274-L301 HydrophobicContact CB-CD1 4.28Å; V274-L301 HydrophobicContact CG1-CD1 3.54Å; V274-L301 HydrophobicContact CG1-CD2 4.48Å; V274-L301 HydrophobicContact CG1-CG 4.21Å
275	E	66	Low	64.2	Low	73 Å²	73	50.8 Å²	50.8	34%	0.341	26%	0.261	S	S	.	.	H	α-helix	trans	-60.7	-43.4	177.1	-170.8	-174.3	170.8	0	0	112.1	M271 I277 F278 T279 L301	M271-E275 PolarHBondContact O-N 3.29Å; E275-I277 VanDerWaalsContact C-N 3.35Å; E275-I277 PolarHBondContact O-N 3.09Å; E275-F278 PolarHBondContact O-N 2.87Å; E275-T279 WeakPolarHBondContact O-CB 3.37Å; E275-T279 PolarHBondContact O-N 3.46Å; E275-T279 PolarHBondContact O-OG1 2.9Å; E275-L301 HydrophobicContact CB-CD1 4.27Å; E275-L301 HydrophobicContact CB-CD2 4.36Å
276	N	66.8	Low	64.3	Low	85 Å²	85	52 Å²	52	46%	0.455	27%	0.267	S	S	.	.	H	α-helix	trans	-63.2	-38.1	176.8	-78.8	-50.8	0	0	0	112.8	E272 V274 S280	E272-N276 WeakPolarHBondContact O-CB 3.3Å; E272-N276 VanDerWaalsContact O-CG 3.23Å; E272-N276 PolarHBondContact O-N 3.35Å; E272-N276 PolarHBondContact O-ND2 2.91Å; V274-N276 PolarHBondContact O-N 3.07Å; N276-S280 VanDerWaalsContact O-CB 3.26Å; N276-S280 WeakPolarHBondContact O-CB 3.38Å; N276-S280 PolarHBondContact O-N 3.32Å; N276-S280 PolarHBondContact O-OG 2.89Å
277	I	67.1	Low	64.3	Low	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-68.3	-41.3	176.5	-68.5	162.5	0	0	0	110	L249 Y258 A261 L262 A265 L273 V274 E275 S280 C281 M290	L249-I277 HydrophobicContact CD1-CD1 4.15Å; L249-I277 HydrophobicContact CD2-CD1 4.03Å; L249-I277 HydrophobicContact CG-CD1 4.13Å; Y258-I277 HydrophobicContact CD1-CG2 4.23Å; A261-I277 HydrophobicContact CB-CD1 4.21Å; A261-I277 HydrophobicContact CB-CG2 4.3Å; L262-I277 HydrophobicContact CB-CG2 4.5Å; A265-I277 HydrophobicContact CB-CD1 3.48Å; A265-I277 VanDerWaalsContact CB-CD1 3.48Å; L273-I277 WeakPolarHBondContact O-CD1 3.16Å; L273-I277 WeakPolarHBondContact O-CG1 3.27Å; L273-I277 PolarHBondContact O-N 3.13Å; L273-I277 VanDerWaalsContact O-N 3.07Å; V274-I277 PolarHBondContact O-N 3.03Å; E275-I277 VanDerWaalsContact C-N 3.35Å; E275-I277 PolarHBondContact O-N 3.09Å; I277-S280 PolarHBondContact O-N 3.32Å; I277-C281 PolarHBondContact O-N 3.15Å; I277-C281 PolarHBondContact O-SG 3.44Å; I277-M290 HydrophobicContact CG2-CE 3.74Å
278	F	61.1	Low	64.7	Low	1 Å²	1	50.9 Å²	50.9	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-63.3	-46.6	179	-159.7	-82.8	0	0	0	111.8	V274 E275 S280 C281 M290 L294 L301 L303 L313	V274-F278 PolarHBondContact O-N 3.33Å; E275-F278 PolarHBondContact O-N 2.87Å; F278-S280 VanDerWaalsContact C-N 3.29Å; F278-S280 PolarHBondContact O-N 3.21Å; F278-C281 WeakPolarHBondContact O-CB 3.32Å; F278-C281 PolarHBondContact O-N 3.29Å; F278-M290 HydrophobicContact CB-CE 4.49Å; F278-M290 HydrophobicContact CD2-CB 4.43Å; F278-M290 HydrophobicContact CD2-CE 4.08Å; F278-M290 HydrophobicContact CE2-CB 4.3Å; F278-L294 HydrophobicContact CD2-CD1 3.88Å; F278-L294 HydrophobicContact CE2-CD1 3.99Å; F278-L301 HydrophobicContact CB-CD1 4.39Å; F278-L303 HydrophobicContact CD1-CD1 4.13Å; F278-L303 HydrophobicContact CD1-CD2 3.19Å; F278-L303 HydrophobicContact CD1-CG 4.24Å; F278-L303 HydrophobicContact CE1-CD1 3.39Å; F278-L303 HydrophobicContact CE1-CD2 3.27Å; F278-L303 HydrophobicContact CE1-CG 3.94Å; F278-L303 HydrophobicContact CE2-CD1 4.49Å; F278-L303 HydrophobicContact CG-CD2 4.1Å; F278-L303 HydrophobicContact CZ-CD1 3.58Å; F278-L303 HydrophobicContact CZ-CD2 4.24Å; F278-L313 HydrophobicContact CE1-CD2 3.92Å; F278-L313 HydrophobicContact CZ-CD2 3.77Å
279	T	68.3	Low	64.5	Low	93 Å²	93	49.7 Å²	49.7	57%	0.571	25%	0.254	S	S	*	.	H	α-helix	trans	-67.8	-29.1	178.9	-50.8	0	0	0	0	112.6	E275 C281	E275-T279 WeakPolarHBondContact O-CB 3.37Å; E275-T279 PolarHBondContact O-N 3.46Å; E275-T279 PolarHBondContact O-OG1 2.9Å; T279-C281 VanDerWaalsContact C-N 3.28Å; T279-C281 PolarHBondContact O-N 2.99Å
280	S	66.1	Low	64.5	Low	62 Å²	62	48.9 Å²	48.9	43%	0.434	25%	0.25	S	C	.	.	H	α-helix	trans	-75.4	-13.9	178.5	-62.6	0	0	0	0	113.7	Y258 N276 I277 F278	Y258-S280 PolarHBondContact OH-O 3.43Å; N276-S280 VanDerWaalsContact O-CB 3.26Å; N276-S280 WeakPolarHBondContact O-CB 3.38Å; N276-S280 PolarHBondContact O-N 3.32Å; N276-S280 PolarHBondContact O-OG 2.89Å; I277-S280 PolarHBondContact O-N 3.32Å; F278-S280 VanDerWaalsContact C-N 3.29Å; F278-S280 PolarHBondContact O-N 3.21Å
281	C	58.2	Low	64.4	Low	4 Å²	4	46.8 Å²	46.8	3%	0.027	24%	0.239	C	C	.	.			trans	-78.2	125.4	177.2	-64.7	0	0	0	0	110.3	Y258 I277 F278 T279 Q287 M290	Y258-C281 WeakPolarHBondContact CB-SG 3.35Å; Y258-C281 WeakPolarHBondContact CD1-SG 3.19Å; I277-C281 PolarHBondContact O-N 3.15Å; I277-C281 PolarHBondContact O-SG 3.44Å; F278-C281 WeakPolarHBondContact O-CB 3.32Å; F278-C281 PolarHBondContact O-N 3.29Å; T279-C281 VanDerWaalsContact C-N 3.28Å; T279-C281 PolarHBondContact O-N 2.99Å; C281-Q287 HydrophobicContact CB-CG 3.7Å; C281-Q287 PolarHBondContact O-NE2 3.14Å; C281-M290 PolarHBondContact SG-SD 3.42Å
282	K	58.4	Low	64.5	Low	201 Å²	201	43.8 Å²	43.8	87%	0.874	22%	0.224	S	C	*	.			trans	-99.9	-8.7	175.2	-66.6	-177.3	178.6	178.9	0	114.2
283	D	64.2	Low	64.3	Low	60 Å²	60	38.6 Å²	38.6	32%	0.321	20%	0.2	S	C	.	.			trans	-101.7	115.1	-174.5	-167.7	-28.6	0	0	0	110.5	V285 I286 Q287 R899	D283-V285 VanDerWaalsContact C-N 3.26Å; D283-V285 PolarHBondContact O-N 2.92Å; D283-V285 PolarHBondContact OD1-N 3.15Å; D283-I286 HydrophobicContact CB-CB 4.33Å; D283-I286 HydrophobicContact CB-CD1 4Å; D283-I286 HydrophobicContact CB-CG1 4.19Å; D283-I286 PolarHBondContact O-N 3.43Å; D283-I286 VanDerWaalsContact O-N 3.12Å; D283-Q287 PolarHBondContact O-N 2.87Å; D283-R899 IonicContact OD1-CZ 3.59Å; D283-R899 IonicContact OD1-NH2 2.78Å; D283-R899 PolarHBondContact OD1-NH2 3.44Å; D283-R899 IonicContact OD2-CZ 3.89Å; D283-R899 VanDerWaalsContact OD2-CZ 3.28Å; D283-R899 IonicContact OD2-NH1 2.59Å; D283-R899 PolarHBondContact OD2-NH1 3Å; D283-R899 IonicContact OD2-NH2 3.82Å; D283-R899 PolarHBondContact OD2-NH2 3.11Å
284	I	65.1	Low	64.1	Low	69 Å²	69	37.2 Å²	37.2	35%	0.354	19%	0.192	S	C	.	.	H	α-helix	trans	-58.2	-36.5	-173.2	-59.9	165.8	0	0	0	111.5	Q287 K288	I284-Q287 PolarHBondContact O-N 3.11Å; I284-K288 HydrophobicContact CG2-CD 4.21Å; I284-K288 HydrophobicContact CG2-CG 4.49Å; I284-K288 WeakPolarHBondContact O-CB 3.23Å; I284-K288 WeakPolarHBondContact O-CG 3.25Å; I284-K288 PolarHBondContact O-N 3.36Å
285	V	66.4	Low	63.8	Low	20 Å²	20	37.5 Å²	37.5	12%	0.121	20%	0.196	C	C	.	.	H	α-helix	trans	-72.9	-34.4	-178.3	173.9	0	0	0	0	111.4	D283 Q289 V888 I897	D283-V285 VanDerWaalsContact C-N 3.26Å; D283-V285 PolarHBondContact O-N 2.92Å; D283-V285 PolarHBondContact OD1-N 3.15Å; V285-Q289 PolarHBondContact O-N 3.39Å; V285-Q289 VanDerWaalsContact O-N 3.12Å; V285-V888 HydrophobicContact CG1-CG2 4.15Å; V285-I897 HydrophobicContact CG1-CB 4.29Å; V285-I897 HydrophobicContact CG1-CD1 4.35Å; V285-I897 HydrophobicContact CG1-CG2 3.64Å
286	I	66.5	Low	63.5	Low	25 Å²	25	36.7 Å²	36.7	13%	0.128	19%	0.19	C	C	.	.	H	α-helix	trans	-71.1	-40.3	174.9	-63.1	175.9	0	0	0	109.8	Y258 P259 D283 Q289 M290 V888	Y258-I286 HydrophobicContact CD2-CG2 4.46Å; P259-I286 HydrophobicContact CG-CG2 4.13Å; D283-I286 HydrophobicContact CB-CB 4.33Å; D283-I286 HydrophobicContact CB-CD1 4Å; D283-I286 HydrophobicContact CB-CG1 4.19Å; D283-I286 PolarHBondContact O-N 3.43Å; D283-I286 VanDerWaalsContact O-N 3.12Å; I286-Q289 PolarHBondContact O-N 3.09Å; I286-M290 HydrophobicContact CG2-CG 4.44Å; I286-M290 HydrophobicContact CG2-SD 3.94Å; I286-M290 WeakPolarHBondContact O-CB 3.48Å; I286-M290 WeakPolarHBondContact O-CG 3.47Å; I286-M290 PolarHBondContact O-N 2.87Å; I286-V888 HydrophobicContact CB-CG1 4.49Å; I286-V888 HydrophobicContact CG1-CG1 3.65Å
287	Q	65.5	Low	63	Low	17 Å²	17	33.6 Å²	33.6	8%	0.079	17%	0.172	C	C	.	.	H	α-helix	trans	-60.9	-45	173.9	-71.5	176.9	-18.8	0	0	112.1	C281 D283 I284 Q289 M290 A291 L313	C281-Q287 HydrophobicContact CB-CG 3.7Å; C281-Q287 PolarHBondContact O-NE2 3.14Å; D283-Q287 PolarHBondContact O-N 2.87Å; I284-Q287 PolarHBondContact O-N 3.11Å; Q287-Q289 VanDerWaalsContact C-N 3.32Å; Q287-Q289 PolarHBondContact O-N 3.09Å; Q287-M290 PolarHBondContact O-N 2.95Å; Q287-A291 WeakPolarHBondContact O-CB 3.41Å; Q287-A291 PolarHBondContact O-N 3.4Å; Q287-L313 HydrophobicContact CB-CD2 3.94Å
288	K	67.8	Low	62.4	Low	21 Å²	21	34.3 Å²	34.3	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-59.9	-40.8	175.3	-74	-178.5	175.4	-167	0	111.6	I284 A291 F292 D312 L313 I316 L835 I897	I284-K288 HydrophobicContact CG2-CD 4.21Å; I284-K288 HydrophobicContact CG2-CG 4.49Å; I284-K288 WeakPolarHBondContact O-CB 3.23Å; I284-K288 WeakPolarHBondContact O-CG 3.25Å; I284-K288 PolarHBondContact O-N 3.36Å; K288-A291 PolarHBondContact O-N 3.28Å; K288-F292 WeakPolarHBondContact O-CD2 3.42Å; K288-F292 PolarHBondContact O-N 2.82Å; K288-D312 IonicContact NZ-OD2 3.89Å; K288-D312 PolarHBondContact NZ-OD2 2.99Å; K288-L313 HydrophobicContact CG-CD1 4.14Å; K288-I316 HydrophobicContact CB-CD1 4.27Å; K288-I316 HydrophobicContact CD-CD1 4.17Å; K288-I316 HydrophobicContact CG-CD1 3.92Å; K288-L835 HydrophobicContact CD-CD1 4.22Å; K288-I897 HydrophobicContact CB-CD1 3.82Å
289	Q	59.8	Low	62.1	Low	7 Å²	7	35 Å²	35	3%	0.033	18%	0.184	C	C	.	.	H	α-helix	trans	-67.7	-39.2	174.8	-176.8	168.5	47.6	0	0	113.3	V285 I286 Q287 A291 F292 M293 V888 I897	V285-Q289 PolarHBondContact O-N 3.39Å; V285-Q289 VanDerWaalsContact O-N 3.12Å; I286-Q289 PolarHBondContact O-N 3.09Å; Q287-Q289 VanDerWaalsContact C-N 3.32Å; Q287-Q289 PolarHBondContact O-N 3.09Å; Q289-A291 VanDerWaalsContact C-N 3.32Å; Q289-F292 PolarHBondContact O-N 3.14Å; Q289-M293 PolarHBondContact O-N 3Å; Q289-V888 PolarHBondContact OE1-O 2.96Å; Q289-I897 HydrophobicContact CB-CD1 4.22Å
290	M	62.3	Low	61.2	Low	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-64.4	-38.6	174.3	-75.6	173.3	60.8	0	0	111.5	L262 I277 F278 C281 I286 Q287 M293 L294	L262-M290 HydrophobicContact CB-CE 4.16Å; L262-M290 HydrophobicContact CD1-CE 4.09Å; L262-M290 HydrophobicContact CD2-CB 3.75Å; L262-M290 HydrophobicContact CD2-CE 3.9Å; L262-M290 HydrophobicContact CD2-CG 3.76Å; L262-M290 HydrophobicContact CG-CE 4.29Å; I277-M290 HydrophobicContact CG2-CE 3.74Å; F278-M290 HydrophobicContact CB-CE 4.49Å; F278-M290 HydrophobicContact CD2-CB 4.43Å; F278-M290 HydrophobicContact CD2-CE 4.08Å; F278-M290 HydrophobicContact CE2-CB 4.3Å; C281-M290 PolarHBondContact SG-SD 3.42Å; I286-M290 HydrophobicContact CG2-CG 4.44Å; I286-M290 HydrophobicContact CG2-SD 3.94Å; I286-M290 WeakPolarHBondContact O-CB 3.48Å; I286-M290 WeakPolarHBondContact O-CG 3.47Å; I286-M290 PolarHBondContact O-N 2.87Å; Q287-M290 PolarHBondContact O-N 2.95Å; M290-M293 WeakPolarHBondContact O-CB 3.49Å; M290-M293 PolarHBondContact O-N 3.31Å; M290-M293 VanDerWaalsContact O-N 3.13Å; M290-L294 WeakPolarHBondContact O-CB 3.48Å; M290-L294 WeakPolarHBondContact O-CG 3.22Å; M290-L294 PolarHBondContact O-N 3.3Å
291	A	62.6	Low	60.7	Low	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.1	-41.7	173.7	0	0	0	0	0	111.8	Q287 K288 Q289 M293 L294 G295 I316	Q287-A291 WeakPolarHBondContact O-CB 3.41Å; Q287-A291 PolarHBondContact O-N 3.4Å; K288-A291 PolarHBondContact O-N 3.28Å; Q289-A291 VanDerWaalsContact C-N 3.32Å; A291-M293 VanDerWaalsContact C-N 3.32Å; A291-M293 PolarHBondContact O-N 3.23Å; A291-L294 PolarHBondContact O-N 2.84Å; A291-G295 PolarHBondContact O-N 2.9Å; A291-I316 HydrophobicContact CB-CB 4.47Å; A291-I316 HydrophobicContact CB-CG2 3.83Å
292	F	64.2	Low	60.3	Low	10 Å²	10	38.4 Å²	38.4	4%	0.044	19%	0.186	C	C	.	.	H	α-helix	trans	-63	-36	171.6	-78.5	-65	0	0	0	113	K288 Q289 R296 I316 F831 L835 F895 I897	K288-F292 WeakPolarHBondContact O-CD2 3.42Å; K288-F292 PolarHBondContact O-N 2.82Å; Q289-F292 PolarHBondContact O-N 3.14Å; F292-R296 WeakPolarHBondContact O-CB 3.46Å; F292-R296 VanDerWaalsContact O-CG 3.23Å; F292-R296 WeakPolarHBondContact O-CG 3.46Å; F292-R296 PolarHBondContact O-N 3.36Å; F292-R296 VanDerWaalsContact O-N 3.09Å; F292-I316 HydrophobicContact CD1-CG2 3.66Å; F292-I316 HydrophobicContact CD2-CG2 3.79Å; F292-I316 HydrophobicContact CE1-CG2 3.63Å; F292-I316 HydrophobicContact CE2-CD1 4.3Å; F292-I316 HydrophobicContact CE2-CG1 4.45Å; F292-I316 HydrophobicContact CE2-CG2 3.75Å; F292-I316 HydrophobicContact CG-CG2 3.73Å; F292-I316 HydrophobicContact CZ-CB 4.5Å; F292-I316 HydrophobicContact CZ-CD1 4.39Å; F292-I316 HydrophobicContact CZ-CG1 4.1Å; F292-I316 HydrophobicContact CZ-CG2 3.67Å; F292-F831 HydrophobicContact CE1-CE2 4.39Å; F292-F831 HydrophobicContact CE2-CD2 4.49Å; F292-F831 HydrophobicContact CZ-CD2 4.42Å; F292-F831 HydrophobicContact CZ-CE2 4.04Å; F292-L835 HydrophobicContact CE2-CD2 3.72Å; F292-L835 HydrophobicContact CZ-CD2 3.98Å; F292-F895 HydrophobicContact CB-CB 4.28Å; F292-F895 HydrophobicContact CD1-CB 3.99Å; F292-F895 AromaticContact CD1-CD2 3.6Å; F292-F895 HydrophobicContact CD1-CD2 3.6Å; F292-F895 HydrophobicContact CD1-CE2 4.24Å; F292-F895 AromaticContact CD1-CG 3.97Å; F292-F895 HydrophobicContact CD1-CG 3.97Å; F292-F895 HydrophobicContact CD2-CB 4.42Å; F292-F895 HydrophobicContact CE1-CB 4.43Å; F292-F895 HydrophobicContact CE1-CD2 4.01Å; F292-F895 HydrophobicContact CE1-CE2 4.36Å; F292-F895 HydrophobicContact CE1-CG 4.19Å; F292-F895 HydrophobicContact CG-CB 3.99Å; F292-F895 HydrophobicContact CG-CD2 4.36Å; F292-F895 HydrophobicContact CG-CG 4.47Å; F292-I897 HydrophobicContact CE2-CD1 4.44Å
293	M	61.3	Low	59.9	Low	31 Å²	31	29.4 Å²	29.4	15%	0.153	15%	0.148	C	C	.	.	H	α-helix	trans	-68.7	-43	176.6	-169.7	-175.2	-63.8	0	0	111.6	P259 L262 Q289 M290 A291 R296 H297	P259-M293 HydrophobicContact CB-CE 4.32Å; L262-M293 HydrophobicContact CD2-CB 4.39Å; L262-M293 HydrophobicContact CD2-SD 4.02Å; L262-M293 HydrophobicContact CG-SD 4.45Å; Q289-M293 PolarHBondContact O-N 3Å; M290-M293 WeakPolarHBondContact O-CB 3.49Å; M290-M293 PolarHBondContact O-N 3.31Å; M290-M293 VanDerWaalsContact O-N 3.13Å; A291-M293 VanDerWaalsContact C-N 3.32Å; A291-M293 PolarHBondContact O-N 3.23Å; M293-R296 PolarHBondContact O-N 3.28Å; M293-H297 WeakPolarHBondContact O-CB 3.37Å; M293-H297 PolarHBondContact O-N 3.03Å
294	L	62.3	Low	59	Low	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.2	-47.5	176.2	-73.2	172.7	0	0	0	111.9	L262 L266 V274 F278 M290 A291 R296 H297 G298 V299 L301 M317	L262-L294 HydrophobicContact CD1-CD2 4.18Å; L262-L294 HydrophobicContact CD2-CD1 4.48Å; L262-L294 HydrophobicContact CD2-CD2 4.34Å; L262-L294 HydrophobicContact CD2-CG 4.06Å; L266-L294 HydrophobicContact CD1-CD2 4.25Å; L266-L294 HydrophobicContact CD2-CD2 3.93Å; V274-L294 HydrophobicContact CG1-CD2 3.87Å; F278-L294 HydrophobicContact CD2-CD1 3.88Å; F278-L294 HydrophobicContact CE2-CD1 3.99Å; M290-L294 WeakPolarHBondContact O-CB 3.48Å; M290-L294 WeakPolarHBondContact O-CG 3.22Å; M290-L294 PolarHBondContact O-N 3.3Å; A291-L294 PolarHBondContact O-N 2.84Å; L294-R296 VanDerWaalsContact C-N 3.25Å; L294-R296 PolarHBondContact O-N 3.36Å; L294-H297 PolarHBondContact O-N 3.08Å; L294-G298 PolarHBondContact O-N 3.21Å; L294-V299 HydrophobicContact CD2-CB 4.38Å; L294-V299 HydrophobicContact CD2-CG1 4.39Å; L294-V299 PolarHBondContact O-N 3.13Å; L294-L301 HydrophobicContact CD1-CD1 4.31Å; L294-M317 HydrophobicContact CD1-CE 4.07Å
295	G	59.6	Low	58.1	Low	7 Å²	7	36.7 Å²	36.7	7%	0.072	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-32.2	175.6	0	0	0	0	0	113.2	A291	A291-G295 PolarHBondContact O-N 2.9Å
296	R	58.9	Low	56.9	Low	56 Å²	56	43.4 Å²	43.4	21%	0.211	22%	0.217	C	C	.	.	H	α-helix	trans	-74.6	-33.6	172.2	-75.8	-177.8	74.6	-161.8	3.9	113.8	F292 M293 L294 G298 Q824 E893 G894	F292-R296 WeakPolarHBondContact O-CB 3.46Å; F292-R296 VanDerWaalsContact O-CG 3.23Å; F292-R296 WeakPolarHBondContact O-CG 3.46Å; F292-R296 PolarHBondContact O-N 3.36Å; F292-R296 VanDerWaalsContact O-N 3.09Å; M293-R296 PolarHBondContact O-N 3.28Å; L294-R296 VanDerWaalsContact C-N 3.25Å; L294-R296 PolarHBondContact O-N 3.36Å; R296-G298 VanDerWaalsContact C-N 3.3Å; R296-Q824 PolarHBondContact O-NE2 3.33Å; R296-E893 PolarHBondContact NH1-O 3.3Å; R296-G894 VanDerWaalsContact NH1-CA 3.28Å
297	H	57.3	Low	56.2	Low	19 Å²	19	44.2 Å²	44.2	9%	0.088	22%	0.223	C	C	.	.	H	α-helix	trans	-76.3	-23.1	177.5	-168.1	-94.8	0	0	0	111.7	L266 M293 L294 V299 M786 S787	L266-H297 HydrophobicContact CD1-CB 4.49Å; M293-H297 WeakPolarHBondContact O-CB 3.37Å; M293-H297 PolarHBondContact O-N 3.03Å; L294-H297 PolarHBondContact O-N 3.08Å; H297-V299 WeakPolarHBondContact ND1-CG2 3.41Å; H297-M786 PolarHBondContact NE2-O 3.25Å; H297-S787 PolarHBondContact O-OG 3.36Å
298	G	53.6	Low	55.2	Low	17 Å²	17	51.2 Å²	51.2	18%	0.175	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	11.3	-179.8	0	0	0	0	0	113.1	L294 R296	L294-G298 PolarHBondContact O-N 3.21Å; R296-G298 VanDerWaalsContact C-N 3.3Å
299	V	55.7	Low	54.4	Low	15 Å²	15	54.1 Å²	54.1	9%	0.091	27%	0.272	C	S	.	.			trans	-92.6	115.1	174.5	172.8	0	0	0	0	107.9	L266 M271 L294 H297	L266-V299 HydrophobicContact CD2-CB 4.42Å; L266-V299 HydrophobicContact CD2-CG2 4.32Å; M271-V299 HydrophobicContact CE-CG1 3.88Å; M271-V299 HydrophobicContact CE-CG2 4.12Å; M271-V299 HydrophobicContact SD-CG1 3.55Å; M271-V299 VanDerWaalsContact SD-CG1 3.55Å; L294-V299 HydrophobicContact CD2-CB 4.38Å; L294-V299 HydrophobicContact CD2-CG1 4.39Å; L294-V299 PolarHBondContact O-N 3.13Å; H297-V299 WeakPolarHBondContact ND1-CG2 3.41Å
300	F	49.8	Very low	54.3	Low	47 Å²	47	56.7 Å²	56.7	21%	0.206	28%	0.282	C	S	.	.			trans	-98.3	124.4	175.1	-73.5	-88.1	0	0	0	109	M317	F300-M317 HydrophobicContact CB-SD 4.29Å; F300-M317 HydrophobicContact CD1-CG 3.58Å; F300-M317 HydrophobicContact CD1-SD 3.74Å; F300-M317 VanDerWaalsContact CE1-C 3.5Å; F300-M317 HydrophobicContact CE1-CB 4.44Å; F300-M317 HydrophobicContact CE1-CG 3.81Å; F300-M317 WeakPolarHBondContact CE1-O 3.45Å; F300-M317 HydrophobicContact CG-SD 4.41Å; F300-M317 WeakPolarHBondContact CZ-O 3.46Å
301	L	55.8	Low	54	Low	19 Å²	19	63.9 Å²	63.9	10%	0.099	32%	0.316	C	S	.	.			trans	-97.2	123.5	165.2	-70.1	177.7	0	0	0	107.8	V274 E275 F278 L294 L303 M317	V274-L301 HydrophobicContact CB-CD1 4.28Å; V274-L301 HydrophobicContact CG1-CD1 3.54Å; V274-L301 HydrophobicContact CG1-CD2 4.48Å; V274-L301 HydrophobicContact CG1-CG 4.21Å; E275-L301 HydrophobicContact CB-CD1 4.27Å; E275-L301 HydrophobicContact CB-CD2 4.36Å; F278-L301 HydrophobicContact CB-CD1 4.39Å; L294-L301 HydrophobicContact CD1-CD1 4.31Å; L301-L303 VanDerWaalsContact C-N 3.32Å; L301-L303 PolarHBondContact O-N 3.04Å; L301-M317 HydrophobicContact CB-CE 4.34Å; L301-M317 PolarHBondContact N-SD 3.4Å
302	E	48.7	Very low	53.9	Low	164 Å²	164	66.8 Å²	66.8	77%	0.766	33%	0.331	S	S	*	.			trans	-73.4	94.7	167.6	-155.9	160	-141.7	0	0	106.5
303	L	51.7	Low	53.7	Low	12 Å²	12	66.4 Å²	66.4	6%	0.063	33%	0.33	C	S	.	.			trans	-69.8	148.8	-178.6	-79	150.2	0	0	0	109.3	F278 L301 Y310 M317	F278-L303 HydrophobicContact CD1-CD1 4.13Å; F278-L303 HydrophobicContact CD1-CD2 3.19Å; F278-L303 HydrophobicContact CD1-CG 4.24Å; F278-L303 HydrophobicContact CE1-CD1 3.39Å; F278-L303 HydrophobicContact CE1-CD2 3.27Å; F278-L303 HydrophobicContact CE1-CG 3.94Å; F278-L303 HydrophobicContact CE2-CD1 4.49Å; F278-L303 HydrophobicContact CG-CD2 4.1Å; F278-L303 HydrophobicContact CZ-CD1 3.58Å; F278-L303 HydrophobicContact CZ-CD2 4.24Å; L301-L303 VanDerWaalsContact C-N 3.32Å; L301-L303 PolarHBondContact O-N 3.04Å; L303-Y310 HydrophobicContact CB-CD2 3.99Å; L303-Y310 HydrophobicContact CB-CE2 3.55Å; L303-Y310 WeakPolarHBondContact O-CE2 3.46Å; L303-Y310 PolarHBondContact O-OH 2.76Å; L303-M317 HydrophobicContact CD1-CE 3.79Å
304	N	43.3	Very low	53.8	Low	108 Å²	108	66.2 Å²	66.2	58%	0.578	33%	0.33	S	S	*	.			trans	-69.2	140.9	171.2	-80.2	-45.6	0	0	0	109.9	D306 V307	N304-D306 PolarHBondContact O-N 3.07Å; N304-V307 PolarHBondContact O-N 3.49Å
305	E	46.2	Very low	53.8	Low	175 Å²	175	70 Å²	70	82%	0.818	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-5.9	-179.9	-61.8	178.2	166.2	0	0	114.4
306	D	42.2	Very low	53.8	Low	161 Å²	161	69.9 Å²	69.9	86%	0.861	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	1.8	-176.6	-70.3	-36.2	0	0	0	114.6	N304	N304-D306 PolarHBondContact O-N 3.07Å
307	V	51.4	Low	53.7	Low	42 Å²	42	67.4 Å²	67.4	26%	0.255	34%	0.337	S	S	.	.	S	Bend	trans	-89.6	126	177.1	-170	0	0	0	0	110.1	N304 D309 Y310	N304-V307 PolarHBondContact O-N 3.49Å; V307-D309 PolarHBondContact O-N 3.39Å; V307-Y310 WeakPolarHBondContact O-CB 3.44Å; V307-Y310 PolarHBondContact O-N 3.31Å
308	E	43.9	Very low	53.7	Low	164 Å²	164	67.1 Å²	67.1	77%	0.766	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	137.3	171.3	-70.3	179.2	163.1	0	0	110.2
309	D	53	Low	54	Low	81 Å²	81	66.8 Å²	66.8	43%	0.433	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	29.9	-174.1	-63.1	-21.8	0	0	0	115.8	V307 E311 D312 L313	V307-D309 PolarHBondContact O-N 3.39Å; D309-E311 VanDerWaalsContact C-N 3.27Å; D309-E311 PolarHBondContact O-N 3.04Å; D309-D312 HydrophobicContact CB-CB 4.26Å; D309-D312 PolarHBondContact O-N 2.89Å; D309-L313 HydrophobicContact CB-CD1 4.01Å; D309-L313 WeakPolarHBondContact O-CD1 3.36Å; D309-L313 PolarHBondContact O-N 3Å
310	Y	55.7	Low	54.2	Low	62 Å²	62	68.9 Å²	68.9	24%	0.243	34%	0.343	C	S	.	.	H	α-helix	trans	-49	-42.3	173.9	-179.4	-96.3	0	0	0	114	L303 V307 L313 T314	L303-Y310 HydrophobicContact CB-CD2 3.99Å; L303-Y310 HydrophobicContact CB-CE2 3.55Å; L303-Y310 WeakPolarHBondContact O-CE2 3.46Å; L303-Y310 PolarHBondContact O-OH 2.76Å; V307-Y310 WeakPolarHBondContact O-CB 3.44Å; V307-Y310 PolarHBondContact O-N 3.31Å; Y310-L313 PolarHBondContact O-N 2.84Å; Y310-T314 WeakPolarHBondContact O-CB 3.07Å; Y310-T314 PolarHBondContact O-N 3.06Å; Y310-T314 PolarHBondContact O-OG1 3.17Å
311	E	57.9	Low	54.6	Low	151 Å²	151	69.3 Å²	69.3	71%	0.706	35%	0.346	S	S	*	.	H	α-helix	trans	-64.2	-47	179.6	-68.1	-178.4	173.6	0	0	111.7	D309 L313 T314 E315	D309-E311 VanDerWaalsContact C-N 3.27Å; D309-E311 PolarHBondContact O-N 3.04Å; E311-L313 PolarHBondContact O-N 2.68Å; E311-T314 PolarHBondContact O-N 2.96Å; E311-E315 VanDerWaalsContact O-CB 3.3Å; E311-E315 WeakPolarHBondContact O-CB 3.36Å; E311-E315 PolarHBondContact O-N 3.21Å
312	D	59.9	Low	54.9	Low	62 Å²	62	68.8 Å²	68.8	33%	0.332	34%	0.344	S	S	.	.	H	α-helix	trans	-61.9	-44.6	176.4	-88.4	12.4	0	0	0	111.8	K288 D309 T314 E315 I316	K288-D312 IonicContact NZ-OD2 3.89Å; K288-D312 PolarHBondContact NZ-OD2 2.99Å; D309-D312 HydrophobicContact CB-CB 4.26Å; D309-D312 PolarHBondContact O-N 2.89Å; D312-T314 VanDerWaalsContact C-N 3.34Å; D312-E315 PolarHBondContact O-N 2.86Å; D312-I316 WeakPolarHBondContact O-CB 3.33Å; D312-I316 WeakPolarHBondContact O-CD1 3.04Å; D312-I316 WeakPolarHBondContact O-CG1 3.45Å; D312-I316 PolarHBondContact O-N 3.43Å
313	L	60.6	Low	55.5	Low	1 Å²	1	62.3 Å²	62.3	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-68.8	-36.7	-178.8	-86.1	70.8	0	0	0	111.1	F278 Q287 K288 D309 Y310 E311 M317	F278-L313 HydrophobicContact CE1-CD2 3.92Å; F278-L313 HydrophobicContact CZ-CD2 3.77Å; Q287-L313 HydrophobicContact CB-CD2 3.94Å; K288-L313 HydrophobicContact CG-CD1 4.14Å; D309-L313 HydrophobicContact CB-CD1 4.01Å; D309-L313 WeakPolarHBondContact O-CD1 3.36Å; D309-L313 PolarHBondContact O-N 3Å; Y310-L313 PolarHBondContact O-N 2.84Å; E311-L313 PolarHBondContact O-N 2.68Å; L313-M317 VanDerWaalsContact O-CB 3.27Å; L313-M317 WeakPolarHBondContact O-CB 3.34Å; L313-M317 PolarHBondContact O-N 3.28Å
314	T	62.2	Low	56.1	Low	28 Å²	28	65 Å²	65	17%	0.172	33%	0.334	C	S	.	.	H	α-helix	trans	-71.7	-39.1	176.3	-56.9	0	0	0	0	110.9	Y310 E311 D312 M317 S318	Y310-T314 WeakPolarHBondContact O-CB 3.07Å; Y310-T314 PolarHBondContact O-N 3.06Å; Y310-T314 PolarHBondContact O-OG1 3.17Å; E311-T314 PolarHBondContact O-N 2.96Å; D312-T314 VanDerWaalsContact C-N 3.34Å; T314-M317 PolarHBondContact O-N 3.46Å; T314-S318 WeakPolarHBondContact O-CB 3.45Å; T314-S318 PolarHBondContact O-N 3.07Å; T314-S318 PolarHBondContact O-OG 3.22Å
315	E	62.2	Low	56.9	Low	78 Å²	78	60.9 Å²	60.9	36%	0.364	31%	0.312	S	S	.	.	H	α-helix	trans	-64.5	-40.2	174.8	-167.3	-172.5	148.2	0	0	111.5	E311 D312 S318 N319 V320 Q321	E311-E315 VanDerWaalsContact O-CB 3.3Å; E311-E315 WeakPolarHBondContact O-CB 3.36Å; E311-E315 PolarHBondContact O-N 3.21Å; D312-E315 PolarHBondContact O-N 2.86Å; E315-S318 CarbonylContact O-C 3.59Å; E315-S318 PolarHBondContact O-N 2.68Å; E315-N319 PolarHBondContact O-N 3.38Å; E315-V320 HydrophobicContact CG-CB 4.07Å; E315-V320 HydrophobicContact CG-CG2 4.26Å; E315-V320 PolarHBondContact O-N 3.34Å; E315-Q321 PolarHBondContact OE1-NE2 2.97Å
316	I	60.8	Low	57.6	Low	5 Å²	5	52.8 Å²	52.8	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-66.8	-47.5	174.4	-71.2	166	0	0	0	111.1	K288 A291 F292 D312 S318 N319 L835	K288-I316 HydrophobicContact CB-CD1 4.27Å; K288-I316 HydrophobicContact CD-CD1 4.17Å; K288-I316 HydrophobicContact CG-CD1 3.92Å; A291-I316 HydrophobicContact CB-CB 4.47Å; A291-I316 HydrophobicContact CB-CG2 3.83Å; F292-I316 HydrophobicContact CD1-CG2 3.66Å; F292-I316 HydrophobicContact CD2-CG2 3.79Å; F292-I316 HydrophobicContact CE1-CG2 3.63Å; F292-I316 HydrophobicContact CE2-CD1 4.3Å; F292-I316 HydrophobicContact CE2-CG1 4.45Å; F292-I316 HydrophobicContact CE2-CG2 3.75Å; F292-I316 HydrophobicContact CG-CG2 3.73Å; F292-I316 HydrophobicContact CZ-CB 4.5Å; F292-I316 HydrophobicContact CZ-CD1 4.39Å; F292-I316 HydrophobicContact CZ-CG1 4.1Å; F292-I316 HydrophobicContact CZ-CG2 3.67Å; D312-I316 WeakPolarHBondContact O-CB 3.33Å; D312-I316 WeakPolarHBondContact O-CD1 3.04Å; D312-I316 WeakPolarHBondContact O-CG1 3.45Å; D312-I316 PolarHBondContact O-N 3.43Å; I316-S318 PolarHBondContact O-N 3.2Å; I316-N319 PolarHBondContact O-N 3.24Å; I316-N319 VanDerWaalsContact O-N 3.08Å; I316-L835 HydrophobicContact CD1-CD1 3.9Å; I316-L835 HydrophobicContact CD1-CD2 4.15Å
317	M	56.6	Low	58.7	Low	5 Å²	5	47.4 Å²	47.4	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-38.1	177	-167.9	-176.4	-73.4	0	0	110.6	L294 F300 L301 L303 L313 T314 N319	L294-M317 HydrophobicContact CD1-CE 4.07Å; F300-M317 HydrophobicContact CB-SD 4.29Å; F300-M317 HydrophobicContact CD1-CG 3.58Å; F300-M317 HydrophobicContact CD1-SD 3.74Å; F300-M317 VanDerWaalsContact CE1-C 3.5Å; F300-M317 HydrophobicContact CE1-CB 4.44Å; F300-M317 HydrophobicContact CE1-CG 3.81Å; F300-M317 WeakPolarHBondContact CE1-O 3.45Å; F300-M317 HydrophobicContact CG-SD 4.41Å; F300-M317 WeakPolarHBondContact CZ-O 3.46Å; L301-M317 HydrophobicContact CB-CE 4.34Å; L301-M317 PolarHBondContact N-SD 3.4Å; L303-M317 HydrophobicContact CD1-CE 3.79Å; L313-M317 VanDerWaalsContact O-CB 3.27Å; L313-M317 WeakPolarHBondContact O-CB 3.34Å; L313-M317 PolarHBondContact O-N 3.28Å; T314-M317 PolarHBondContact O-N 3.46Å; M317-N319 PolarHBondContact O-N 2.9Å
318	S	56.3	Low	59.2	Low	13 Å²	13	47.4 Å²	47.4	9%	0.091	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-3.3	176.9	-66	0	0	0	0	114.8	T314 E315 I316 V320 V451 R452	T314-S318 WeakPolarHBondContact O-CB 3.45Å; T314-S318 PolarHBondContact O-N 3.07Å; T314-S318 PolarHBondContact O-OG 3.22Å; E315-S318 CarbonylContact O-C 3.59Å; E315-S318 PolarHBondContact O-N 2.68Å; I316-S318 PolarHBondContact O-N 3.2Å; S318-V320 PolarHBondContact O-N 3.38Å; S318-V320 VanDerWaalsContact O-N 3.12Å; S318-V451 WeakPolarHBondContact O-CA 3.35Å; S318-V451 WeakPolarHBondContact O-CG1 3.47Å; S318-R452 WeakPolarHBondContact CB-O 3.16Å; S318-R452 PolarHBondContact O-N 2.97Å; S318-R452 PolarHBondContact OG-O 2.87Å
319	N	60.1	Low	60	Low	10 Å²	10	39.7 Å²	39.7	5%	0.053	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	20.5	170.7	-133	0.8	0	0	0	115	E315 I316 M317 Q321 L322 W416 G450	E315-N319 PolarHBondContact O-N 3.38Å; I316-N319 PolarHBondContact O-N 3.24Å; I316-N319 VanDerWaalsContact O-N 3.08Å; M317-N319 PolarHBondContact O-N 2.9Å; N319-Q321 VanDerWaalsContact C-N 3.26Å; N319-Q321 PolarHBondContact O-N 3.48Å; N319-L322 HydrophobicContact CB-CB 4.48Å; N319-L322 VanDerWaalsContact CG-CD1 3.48Å; N319-L322 VanDerWaalsContact ND2-CD1 3.25Å; N319-L322 WeakPolarHBondContact ND2-CD1 3.14Å; N319-L322 WeakPolarHBondContact O-CB 3.43Å; N319-L322 PolarHBondContact O-N 3.38Å; N319-L322 WeakPolarHBondContact OD1-CB 3.4Å; N319-L322 WeakPolarHBondContact OD1-CD1 3.32Å; N319-W416 HydrophobicContact CB-CZ3 4.2Å; N319-W416 WeakPolarHBondContact ND2-CZ3 3.42Å; N319-G450 WeakPolarHBondContact CB-O 3.02Å
320	V	60.6	Low	60.4	Low	58 Å²	58	35.9 Å²	35.9	35%	0.352	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-36.4	-175.9	178	0	0	0	0	111.5	E315 S318 L322 V451	E315-V320 HydrophobicContact CG-CB 4.07Å; E315-V320 HydrophobicContact CG-CG2 4.26Å; E315-V320 PolarHBondContact O-N 3.34Å; S318-V320 PolarHBondContact O-N 3.38Å; S318-V320 VanDerWaalsContact O-N 3.12Å; V320-L322 VanDerWaalsContact C-N 3.3Å; V320-L322 PolarHBondContact O-N 2.89Å; V320-V451 HydrophobicContact CG2-CG1 4.03Å
321	Q	57.7	Low	60.9	Low	56 Å²	56	39.7 Å²	39.7	26%	0.262	21%	0.207	S	C	.	.	H	α-helix	trans	-78.5	-8.9	179.5	-62.9	-176.9	2.9	0	0	113.7	E315 N319 N323 S324 N325	E315-Q321 PolarHBondContact OE1-NE2 2.97Å; N319-Q321 VanDerWaalsContact C-N 3.26Å; N319-Q321 PolarHBondContact O-N 3.48Å; Q321-N323 VanDerWaalsContact C-N 3.32Å; Q321-N323 PolarHBondContact O-N 3.26Å; Q321-S324 PolarHBondContact O-N 3.31Å; Q321-S324 PolarHBondContact O-OG 3.37Å; Q321-N325 WeakPolarHBondContact O-CB 3.48Å; Q321-N325 PolarHBondContact O-N 3.44Å; Q321-N325 VanDerWaalsContact O-N 3.07Å; Q321-N325 PolarHBondContact O-ND2 3.2Å
322	L	62.1	Low	61	Low	9 Å²	9	39.4 Å²	39.4	5%	0.047	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-41.1	-178.1	-171.8	151	0	0	0	112	N319 V320 N325 F326 W416 P825 M827 F895	N319-L322 HydrophobicContact CB-CB 4.48Å; N319-L322 VanDerWaalsContact CG-CD1 3.48Å; N319-L322 VanDerWaalsContact ND2-CD1 3.25Å; N319-L322 WeakPolarHBondContact ND2-CD1 3.14Å; N319-L322 WeakPolarHBondContact O-CB 3.43Å; N319-L322 PolarHBondContact O-N 3.38Å; N319-L322 WeakPolarHBondContact OD1-CB 3.4Å; N319-L322 WeakPolarHBondContact OD1-CD1 3.32Å; V320-L322 VanDerWaalsContact C-N 3.3Å; V320-L322 PolarHBondContact O-N 2.89Å; L322-N325 PolarHBondContact O-N 3.35Å; L322-F326 HydrophobicContact CD2-CB 4.5Å; L322-F326 WeakPolarHBondContact O-CB 3.47Å; L322-F326 PolarHBondContact O-N 2.9Å; L322-W416 HydrophobicContact CD1-CE3 4.4Å; L322-W416 HydrophobicContact CD1-CZ3 4.33Å; L322-W416 HydrophobicContact CD2-CD2 4Å; L322-W416 HydrophobicContact CD2-CE3 4.11Å; L322-W416 HydrophobicContact CD2-CG 4.12Å; L322-P825 HydrophobicContact CD1-CG 4.21Å; L322-P825 HydrophobicContact CD2-CG 4.3Å; L322-M827 HydrophobicContact CD1-CE 4.4Å; L322-M827 HydrophobicContact CD2-CE 4.48Å; L322-M827 HydrophobicContact CG-CE 3.93Å; L322-F895 HydrophobicContact CD1-CE2 4.45Å
323	N	60.8	Low	61.1	Low	27 Å²	27	39.3 Å²	39.3	14%	0.144	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-47	178.9	-174.3	-3.8	0	0	0	111.6	Q321 N325 F326 L327 W416 D417	Q321-N323 VanDerWaalsContact C-N 3.32Å; Q321-N323 PolarHBondContact O-N 3.26Å; N323-N325 VanDerWaalsContact C-N 3.28Å; N323-N325 PolarHBondContact O-N 2.53Å; N323-F326 PolarHBondContact O-N 3.33Å; N323-L327 VanDerWaalsContact O-CB 3.26Å; N323-L327 WeakPolarHBondContact O-CB 3.22Å; N323-L327 PolarHBondContact O-N 3.18Å; N323-W416 HydrophobicContact CB-CB 4.04Å; N323-W416 VanDerWaalsContact CB-O 3.31Å; N323-W416 WeakPolarHBondContact CB-O 3.32Å; N323-W416 VanDerWaalsContact ND2-C 3.33Å; N323-W416 PolarHBondContact ND2-O 2.81Å; N323-D417 WeakPolarHBondContact ND2-CA 3.38Å; N323-D417 VanDerWaalsContact ND2-CB 3.33Å; N323-D417 WeakPolarHBondContact ND2-CB 3.26Å; N323-D417 PolarHBondContact ND2-N 3.22Å
324	S	64.7	Low	61.1	Low	70 Å²	70	46.3 Å²	46.3	49%	0.49	24%	0.242	S	C	.	.	H	α-helix	trans	-58.7	-41	178.1	74.9	0	0	0	0	112.3	Q321 A328	Q321-S324 PolarHBondContact O-N 3.31Å; Q321-S324 PolarHBondContact O-OG 3.37Å; S324-A328 WeakPolarHBondContact O-CB 3.37Å; S324-A328 PolarHBondContact O-N 3.03Å
325	N	60.5	Low	61.1	Low	21 Å²	21	46.9 Å²	46.9	11%	0.112	24%	0.244	C	C	.	.	H	α-helix	trans	-74.7	-37.8	-180	-69.7	-38.9	0	0	0	112.3	Q321 L322 N323 A328 L329 F831 F895	Q321-N325 WeakPolarHBondContact O-CB 3.48Å; Q321-N325 PolarHBondContact O-N 3.44Å; Q321-N325 VanDerWaalsContact O-N 3.07Å; Q321-N325 PolarHBondContact O-ND2 3.2Å; L322-N325 PolarHBondContact O-N 3.35Å; N323-N325 VanDerWaalsContact C-N 3.28Å; N323-N325 PolarHBondContact O-N 2.53Å; N325-A328 PolarHBondContact O-N 2.7Å; N325-L329 WeakPolarHBondContact O-CB 3.45Å; N325-L329 PolarHBondContact O-N 3.36Å; N325-F831 WeakPolarHBondContact ND2-CZ 3.45Å; N325-F895 HydrophobicContact CB-CE1 4.18Å; N325-F895 HydrophobicContact CB-CZ 4.37Å
326	F	60.4	Low	60.9	Low	5 Å²	5	47.8 Å²	47.8	2%	0.022	25%	0.249	C	C	.	.	H	α-helix	trans	-66.2	-40.6	174	-177.9	-98.3	0	0	0	111.5	L322 N323 L329 A330 A380 F381 T773 L774 P825 M827	L322-F326 HydrophobicContact CD2-CB 4.5Å; L322-F326 WeakPolarHBondContact O-CB 3.47Å; L322-F326 PolarHBondContact O-N 2.9Å; N323-F326 PolarHBondContact O-N 3.33Å; F326-L329 WeakPolarHBondContact O-CB 3.38Å; F326-L329 PolarHBondContact O-N 3.21Å; F326-A330 PolarHBondContact O-N 3.4Å; F326-A380 HydrophobicContact CD1-CB 3.95Å; F326-A380 HydrophobicContact CE1-CB 3.5Å; F326-A380 WeakPolarHBondContact CE1-O 3.26Å; F326-A380 HydrophobicContact CZ-CB 4.1Å; F326-F381 HydrophobicContact CE1-CD2 4.48Å; F326-F381 HydrophobicContact CE1-CE1 4.32Å; F326-F381 HydrophobicContact CE1-CE2 4.19Å; F326-F381 HydrophobicContact CE1-CZ 4.11Å; F326-F381 HydrophobicContact CZ-CE2 4.14Å; F326-F381 HydrophobicContact CZ-CZ 4.03Å; F326-T773 WeakPolarHBondContact CE2-OG1 3.22Å; F326-T773 WeakPolarHBondContact CZ-OG1 3.13Å; F326-L774 HydrophobicContact CE2-CD2 4Å; F326-L774 HydrophobicContact CZ-CD2 4.16Å; F326-L774 HydrophobicContact CZ-CG 4.43Å; F326-P825 HydrophobicContact CD2-CB 3.94Å; F326-P825 HydrophobicContact CE2-CB 4.06Å; F326-M827 HydrophobicContact CD2-SD 4.45Å
327	L	65.1	Low	60.6	Low	48 Å²	48	55.3 Å²	55.3	25%	0.251	29%	0.285	S	S	.	.	H	α-helix	trans	-69.9	-34.6	176.9	-162.8	142.9	0	0	0	111.2	N323 A330 R331	N323-L327 VanDerWaalsContact O-CB 3.26Å; N323-L327 WeakPolarHBondContact O-CB 3.22Å; N323-L327 PolarHBondContact O-N 3.18Å; L327-A330 WeakPolarHBondContact O-CB 3.32Å; L327-A330 PolarHBondContact O-N 3.03Å; L327-R331 VanDerWaalsContact CD2-NE 3.32Å; L327-R331 WeakPolarHBondContact O-CG 3.32Å; L327-R331 PolarHBondContact O-N 3.46Å; L327-R331 VanDerWaalsContact O-N 3.14Å
328	A	62.4	Low	60.7	Low	41 Å²	41	56.7 Å²	56.7	34%	0.339	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-46.3	169.7	0	0	0	0	0	111.8	S324 N325 A330 R331 E332	S324-A328 WeakPolarHBondContact O-CB 3.37Å; S324-A328 PolarHBondContact O-N 3.03Å; N325-A328 PolarHBondContact O-N 2.7Å; A328-A330 VanDerWaalsContact C-N 3.3Å; A328-A330 PolarHBondContact O-N 3.48Å; A328-R331 WeakPolarHBondContact O-CB 3.16Å; A328-R331 PolarHBondContact O-N 3.31Å; A328-E332 PolarHBondContact O-N 3.49Å
329	L	59.8	Low	60.9	Low	2 Å²	2	60 Å²	60	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-60.1	-38.9	174.5	178.7	149.6	0	0	0	112.3	N325 F326 R331 E332 L333 T773 M827 V829 P869 L871	N325-L329 WeakPolarHBondContact O-CB 3.45Å; N325-L329 PolarHBondContact O-N 3.36Å; F326-L329 WeakPolarHBondContact O-CB 3.38Å; F326-L329 PolarHBondContact O-N 3.21Å; L329-R331 VanDerWaalsContact C-N 3.27Å; L329-R331 PolarHBondContact O-N 3.4Å; L329-E332 PolarHBondContact O-N 3.21Å; L329-L333 HydrophobicContact CD2-CD1 3.5Å; L329-L333 HydrophobicContact CD2-CG 4.4Å; L329-L333 HydrophobicContact CG-CD1 4.04Å; L329-L333 WeakPolarHBondContact O-CB 3.12Å; L329-L333 WeakPolarHBondContact O-CG 3.47Å; L329-L333 PolarHBondContact O-N 2.81Å; L329-T773 HydrophobicContact CD2-CG2 4.45Å; L329-M827 HydrophobicContact CD1-CB 3.34Å; L329-M827 HydrophobicContact CD1-CG 4.4Å; L329-M827 HydrophobicContact CD1-SD 4.21Å; L329-V829 HydrophobicContact CD1-CG2 4.33Å; L329-P869 HydrophobicContact CB-CB 4.48Å; L329-P869 HydrophobicContact CD1-CB 3.79Å; L329-P869 HydrophobicContact CG-CB 4.15Å; L329-P869 HydrophobicContact CG-CG 4.4Å; L329-L871 HydrophobicContact CD2-CD2 4.45Å
330	A	62.6	Low	61	Low	1 Å²	1	61.3 Å²	61.3	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-63.2	-31.8	174.1	0	0	0	0	0	113.2	F326 L327 A328 D334 I335 M336 F381	F326-A330 PolarHBondContact O-N 3.4Å; L327-A330 WeakPolarHBondContact O-CB 3.32Å; L327-A330 PolarHBondContact O-N 3.03Å; A328-A330 VanDerWaalsContact C-N 3.3Å; A328-A330 PolarHBondContact O-N 3.48Å; A330-D334 PolarHBondContact O-N 2.97Å; A330-I335 PolarHBondContact O-N 2.78Å; A330-I335 VanDerWaalsContact O-N 3.07Å; A330-M336 HydrophobicContact CB-CG 4.19Å; A330-F381 HydrophobicContact CB-CD1 3.86Å; A330-F381 HydrophobicContact CB-CE1 3.47Å; A330-F381 VanDerWaalsContact CB-CE1 3.47Å
331	R	64.9	Low	60.9	Low	142 Å²	142	58.9 Å²	58.9	54%	0.536	30%	0.3	S	S	.	.	H	α-helix	trans	-72.3	-46.4	174	-40.8	-155.6	-174.8	142.2	4.8	111.5	L327 A328 L329 L333 D334 M336	L327-R331 VanDerWaalsContact CD2-NE 3.32Å; L327-R331 WeakPolarHBondContact O-CG 3.32Å; L327-R331 PolarHBondContact O-N 3.46Å; L327-R331 VanDerWaalsContact O-N 3.14Å; A328-R331 WeakPolarHBondContact O-CB 3.16Å; A328-R331 PolarHBondContact O-N 3.31Å; L329-R331 VanDerWaalsContact C-N 3.27Å; L329-R331 PolarHBondContact O-N 3.4Å; R331-L333 VanDerWaalsContact C-N 3.27Å; R331-L333 PolarHBondContact O-N 3.27Å; R331-D334 PolarHBondContact O-N 3.12Å; R331-D334 VanDerWaalsContact O-N 3.08Å; R331-M336 HydrophobicContact CB-CE 3.62Å; R331-M336 HydrophobicContact CB-SD 4.41Å; R331-M336 HydrophobicContact CG-CE 3.41Å; R331-M336 VanDerWaalsContact CG-CE 3.41Å; R331-M336 HydrophobicContact CG-CG 4.46Å; R331-M336 HydrophobicContact CG-SD 3.69Å
332	E	60.9	Low	61.1	Low	145 Å²	145	60.9 Å²	60.9	68%	0.678	31%	0.313	S	S	*	.	H	α-helix	trans	-64.7	-31	-179.3	-69.5	-62.9	155.1	0	0	112.7	A328 L329 D334 P869	A328-E332 PolarHBondContact O-N 3.49Å; L329-E332 PolarHBondContact O-N 3.21Å; E332-D334 VanDerWaalsContact C-N 3.33Å; E332-P869 HydrophobicContact CB-CG 4.11Å; E332-P869 HydrophobicContact CG-CG 4.3Å
333	L	60.8	Low	61.2	Low	61 Å²	61	65 Å²	65	32%	0.319	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-0.9	175.8	-64	176.3	0	0	0	113.9	L329 R331 I335 L871	L329-L333 HydrophobicContact CD2-CD1 3.5Å; L329-L333 HydrophobicContact CD2-CG 4.4Å; L329-L333 HydrophobicContact CG-CD1 4.04Å; L329-L333 WeakPolarHBondContact O-CB 3.12Å; L329-L333 WeakPolarHBondContact O-CG 3.47Å; L329-L333 PolarHBondContact O-N 2.81Å; R331-L333 VanDerWaalsContact C-N 3.27Å; R331-L333 PolarHBondContact O-N 3.27Å; L333-I335 HydrophobicContact CB-CD1 3.59Å; L333-I335 HydrophobicContact CB-CG1 3.66Å; L333-I335 HydrophobicContact CD1-CD1 3.96Å; L333-I335 HydrophobicContact CG-CD1 4.4Å; L333-I335 VanDerWaalsContact O-CG1 3.22Å; L333-I335 WeakPolarHBondContact O-CG1 3.03Å; L333-I335 PolarHBondContact O-N 3.25Å; L333-L871 HydrophobicContact CD1-CD1 3.95Å; L333-L871 HydrophobicContact CD1-CG 4.08Å
334	D	61.5	Low	61.2	Low	148 Å²	148	64.5 Å²	64.5	79%	0.791	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	29.9	-173	-74.7	-37.5	0	0	0	113.8	A330 R331 E332	A330-D334 PolarHBondContact O-N 2.97Å; R331-D334 PolarHBondContact O-N 3.12Å; R331-D334 VanDerWaalsContact O-N 3.08Å; E332-D334 VanDerWaalsContact C-N 3.33Å
335	I	61.4	Low	61	Low	40 Å²	40	61.5 Å²	61.5	21%	0.205	31%	0.31	C	S	.	.			trans	-99.5	11.5	-176.5	-47.9	174.2	0	0	0	111.8	A330 L333 E337 K771	A330-I335 PolarHBondContact O-N 2.78Å; A330-I335 VanDerWaalsContact O-N 3.07Å; L333-I335 HydrophobicContact CB-CD1 3.59Å; L333-I335 HydrophobicContact CB-CG1 3.66Å; L333-I335 HydrophobicContact CD1-CD1 3.96Å; L333-I335 HydrophobicContact CG-CD1 4.4Å; L333-I335 VanDerWaalsContact O-CG1 3.22Å; L333-I335 WeakPolarHBondContact O-CG1 3.03Å; L333-I335 PolarHBondContact O-N 3.25Å; I335-E337 VanDerWaalsContact C-N 3.3Å; I335-E337 PolarHBondContact O-N 3.45Å; I335-K771 HydrophobicContact CG2-CB 3.62Å; I335-K771 HydrophobicContact CG2-CD 3.26Å; I335-K771 HydrophobicContact CG2-CG 4.05Å; I335-K771 WeakPolarHBondContact O-CD 3.41Å; I335-K771 PolarHBondContact O-NZ 3.08Å
336	M	58.2	Low	61	Low	96 Å²	96	66 Å²	66	47%	0.473	33%	0.328	S	S	.	.			trans	-64.7	-28.6	-179.4	-81.1	-160.3	-77.9	0	0	113.7	A330 R331 K771	A330-M336 HydrophobicContact CB-CG 4.19Å; R331-M336 HydrophobicContact CB-CE 3.62Å; R331-M336 HydrophobicContact CB-SD 4.41Å; R331-M336 HydrophobicContact CG-CE 3.41Å; R331-M336 VanDerWaalsContact CG-CE 3.41Å; R331-M336 HydrophobicContact CG-CG 4.46Å; R331-M336 HydrophobicContact CG-SD 3.69Å; M336-K771 PolarHBondContact O-NZ 3.41Å
337	E	54.5	Low	60.8	Low	164 Å²	164	69.3 Å²	69.3	77%	0.766	35%	0.349	S	S	*	.	S	Bend	trans	-63.6	123.3	-177.5	-66.4	-166.9	156.6	0	0	111.6	I335 K339 K771	I335-E337 VanDerWaalsContact C-N 3.3Å; I335-E337 PolarHBondContact O-N 3.45Å; E337-K339 PolarHBondContact O-N 3.14Å; E337-K771 PolarHBondContact O-NZ 3.37Å
338	P	58.9	Low	60.3	Low	33 Å²	33	76.3 Å²	76.3	21%	0.214	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-66.5	129.3	-177.7	25.9	-32.7	0	0	0	110.2	K385	P338-K385 HydrophobicContact CG-CD 4.15Å; P338-K385 HydrophobicContact CG-CG 3.97Å
339	K	61.6	Low	59.8	Low	82 Å²	82	79.9 Å²	79.9	36%	0.357	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-87.8	131.9	175.7	-70.5	-176	-179.6	174.9	0	108.8	E337 V377 N378	E337-K339 PolarHBondContact O-N 3.14Å; K339-V377 HydrophobicContact CB-CG1 4.02Å; K339-N378 PolarHBondContact O-ND2 2.91Å
340	V	61.7	Low	59.5	Low	39 Å²	39	82.3 Å²	82.3	24%	0.236	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-80.6	144.4	175.7	-174.6	0	0	0	0	108.1	D342 D343 L386	V340-D342 HydrophobicContact CG1-CB 4.06Å; V340-D342 PolarHBondContact O-N 3.15Å; V340-D342 VanDerWaalsContact O-N 3.07Å; V340-D343 PolarHBondContact N-OD2 3.4Å; V340-D343 VanDerWaalsContact N-OD2 3.17Å; V340-D343 WeakPolarHBondContact O-CB 3.4Å; V340-D343 PolarHBondContact O-N 3.45Å; V340-L386 HydrophobicContact CG1-CD1 3.77Å
341	P	59.2	Low	58.5	Low	6 Å²	6	88.1 Å²	88.1	4%	0.039	44%	0.435	C	S	.	.	H	α-helix	trans	-49.2	-32.9	171.4	-30.3	36.8	0	0	0	113.7	D343 I344 Y345 V373 N374 L386	P341-D343 VanDerWaalsContact C-N 3.33Å; P341-D343 PolarHBondContact O-N 3.03Å; P341-I344 WeakPolarHBondContact O-CB 3.5Å; P341-I344 PolarHBondContact O-N 3.05Å; P341-Y345 HydrophobicContact CB-CD2 4.49Å; P341-Y345 HydrophobicContact CB-CE2 3.95Å; P341-Y345 VanDerWaalsContact O-CD2 3.25Å; P341-Y345 WeakPolarHBondContact O-CD2 3.38Å; P341-Y345 VanDerWaalsContact O-CG 3.24Å; P341-Y345 PolarHBondContact O-N 3.02Å; P341-V373 HydrophobicContact CB-CG1 3.97Å; P341-V373 HydrophobicContact CG-CG1 4.3Å; P341-N374 HydrophobicContact CG-CB 3.89Å; P341-L386 VanDerWaalsContact CD-CD1 3.41Å; P341-L386 HydrophobicContact CG-CD1 4.14Å
342	D	60.8	Low	57.6	Low	98 Å²	98	88.8 Å²	88.8	52%	0.524	45%	0.449	S	S	.	.	H	α-helix	trans	-65.2	-29.9	176.2	-71.3	-27.5	0	0	0	113.9	V340 I344 K346	V340-D342 HydrophobicContact CG1-CB 4.06Å; V340-D342 PolarHBondContact O-N 3.15Å; V340-D342 VanDerWaalsContact O-N 3.07Å; D342-I344 VanDerWaalsContact C-N 3.27Å; D342-I344 PolarHBondContact O-N 3.29Å; D342-K346 PolarHBondContact O-N 3.33Å
343	D	63.6	Low	56.6	Low	97 Å²	97	92.9 Å²	92.9	52%	0.519	46%	0.459	S	S	.	.	H	α-helix	trans	-71.1	-26.9	175.6	-63.2	-40	0	0	0	111.8	V340 P341 K346	V340-D343 PolarHBondContact N-OD2 3.4Å; V340-D343 VanDerWaalsContact N-OD2 3.17Å; V340-D343 WeakPolarHBondContact O-CB 3.4Å; V340-D343 PolarHBondContact O-N 3.45Å; P341-D343 VanDerWaalsContact C-N 3.33Å; P341-D343 PolarHBondContact O-N 3.03Å; D343-K346 VanDerWaalsContact O-CG 3.27Å; D343-K346 WeakPolarHBondContact O-CG 3.05Å
344	I	61.6	Low	55.7	Low	16 Å²	16	100.5 Å²	100.5	8%	0.082	49%	0.49	C	S	.	.	H	α-helix	trans	-83.1	-44.7	178.1	-58.6	171.6	0	0	0	110.3	P341 D342 K346 V373 V377 Q764 H768	P341-I344 WeakPolarHBondContact O-CB 3.5Å; P341-I344 PolarHBondContact O-N 3.05Å; D342-I344 VanDerWaalsContact C-N 3.27Å; D342-I344 PolarHBondContact O-N 3.29Å; I344-K346 PolarHBondContact O-N 2.89Å; I344-V373 HydrophobicContact CD1-CG1 4.06Å; I344-V377 HydrophobicContact CD1-CB 4.02Å; I344-V377 HydrophobicContact CD1-CG1 3.81Å; I344-V377 HydrophobicContact CD1-CG2 3.16Å; I344-Q764 HydrophobicContact CG2-CB 4.41Å; I344-H768 HydrophobicContact CD1-CB 4.46Å; I344-H768 VanDerWaalsContact CG2-CD2 3.42Å; I344-H768 WeakPolarHBondContact CG2-CD2 3.38Å
345	Y	59.9	Low	54.4	Low	7 Å²	7	96.7 Å²	96.7	3%	0.027	49%	0.485	C	S	.	.	H	α-helix	trans	-60.1	-25.9	173.8	-61.2	-28.7	0	0	0	111	P341 T347 V373 R761 Q764	P341-Y345 HydrophobicContact CB-CD2 4.49Å; P341-Y345 HydrophobicContact CB-CE2 3.95Å; P341-Y345 VanDerWaalsContact O-CD2 3.25Å; P341-Y345 WeakPolarHBondContact O-CD2 3.38Å; P341-Y345 VanDerWaalsContact O-CG 3.24Å; P341-Y345 PolarHBondContact O-N 3.02Å; Y345-T347 PolarHBondContact O-N 2.84Å; Y345-V373 HydrophobicContact CE1-CG1 4.48Å; Y345-V373 HydrophobicContact CE1-CG2 4.4Å; Y345-V373 WeakPolarHBondContact OH-CG2 3.5Å; Y345-R761 HydrophobicContact CD1-CG 4.4Å; Y345-R761 HydrophobicContact CE1-CB 3.99Å; Y345-R761 HydrophobicContact CE1-CG 3.65Å; Y345-Q764 VanDerWaalsContact CD1-OE1 3.3Å
346	K	60.9	Low	53.5	Low	115 Å²	115	99.1 Å²	99.1	50%	0.5	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.5	53.3	-174	-70.2	-170.2	176.1	-177.7	0	108.9	D342 D343 I344 H348 L349	D342-K346 PolarHBondContact O-N 3.33Å; D343-K346 VanDerWaalsContact O-CG 3.27Å; D343-K346 WeakPolarHBondContact O-CG 3.05Å; I344-K346 PolarHBondContact O-N 2.89Å; K346-H348 PolarHBondContact O-N 3.33Å; K346-L349 HydrophobicContact CB-CB 4.22Å; K346-L349 WeakPolarHBondContact O-CA 3.36Å; K346-L349 WeakPolarHBondContact O-CB 3.29Å; K346-L349 PolarHBondContact O-N 3.07Å
347	T	57	Low	52.6	Low	74 Å²	74	99.5 Å²	99.5	45%	0.454	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-24.3	-171.1	-42	0	0	0	0	112.7	Y345 L349	Y345-T347 PolarHBondContact O-N 2.84Å; T347-L349 VanDerWaalsContact C-N 3.33Å; T347-L349 PolarHBondContact O-N 3.25Å
348	H	54.3	Low	51.9	Low	195 Å²	195	95.9 Å²	95.9	90%	0.903	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.9	172.4	-65.6	-62.8	0	0	0	115.3	K346	K346-H348 PolarHBondContact O-N 3.33Å
349	L	52.3	Low	50.9	Low	117 Å²	117	98.7 Å²	98.7	61%	0.613	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-14.8	179.2	-147.9	85.3	0	0	0	112.4	K346 T347 N351	K346-L349 HydrophobicContact CB-CB 4.22Å; K346-L349 WeakPolarHBondContact O-CA 3.36Å; K346-L349 WeakPolarHBondContact O-CB 3.29Å; K346-L349 PolarHBondContact O-N 3.07Å; T347-L349 VanDerWaalsContact C-N 3.33Å; T347-L349 PolarHBondContact O-N 3.25Å; L349-N351 PolarHBondContact O-N 3.41Å
350	E	53.2	Low	50	Low	52 Å²	52	104.2 Å²	104.2	24%	0.243	59%	0.586	C	S	.	*	S	Bend	trans	-74.5	106.1	168.6	-64.5	-161.7	155.9	0	0	108.2	N352	E350-N352 PolarHBondContact O-N 3.22Å
351	N	41.6	Very low	49.2	Very low	123 Å²	123	105.5 Å²	105.5	66%	0.658	60%	0.595	S	S	*	*			trans	-66.2	98.3	177.9	-90.1	-29	0	0	0	109.1	L349 R353	L349-N351 PolarHBondContact O-N 3.41Å; N351-R353 PolarHBondContact O-N 3.05Å
352	N	45.2	Very low	48.7	Very low	156 Å²	156	109.8 Å²	109.8	83%	0.834	62%	0.617	S	S	*	*			trans	-59.4	85.5	156.5	-90	-22.2	0	0	0	108.1	E350 F354	E350-N352 PolarHBondContact O-N 3.22Å; N352-F354 PolarHBondContact O-N 3.28Å
353	R	40.9	Very low	48.6	Very low	231 Å²	231	108.7 Å²	108.7	87%	0.872	62%	0.617	S	S	*	*			trans	-60.2	108.8	170.2	-82.6	-171.1	177.7	-172.7	0.9	107.3	N351 G355	N351-R353 PolarHBondContact O-N 3.05Å; R353-G355 PolarHBondContact O-N 2.97Å
354	F	41	Very low	48.4	Very low	222 Å²	222	106.3 Å²	106.3	97%	0.974	61%	0.611	S	S	*	*			trans	-42.7	102.4	163.7	-98.8	-97.7	0	0	0	110	N352	N352-F354 PolarHBondContact O-N 3.28Å
355	G	35.2	Very low	48.3	Very low	67 Å²	67	110 Å²	110	69%	0.691	62%	0.624	S	S	*	*			trans	-173.4	107.6	178.8	0	0	0	0	0	109.6	R353 S357	R353-G355 PolarHBondContact O-N 2.97Å; G355-S357 PolarHBondContact O-N 3.37Å; G355-S357 VanDerWaalsContact O-N 3.11Å
356	G	42.6	Very low	48.5	Very low	91 Å²	91	112.8 Å²	112.8	94%	0.938	64%	0.638	S	S	*	*	S	Bend	trans	-60.1	108.2	-168.4	0	0	0	0	0	114.2
357	S	39.3	Very low	48.8	Very low	104 Å²	104	108.3 Å²	108.3	73%	0.727	62%	0.619	S	S	*	*			trans	175.3	65.4	148.1	178.2	0	0	0	0	108	G355 S359	G355-S357 PolarHBondContact O-N 3.37Å; G355-S357 VanDerWaalsContact O-N 3.11Å; S357-S359 VanDerWaalsContact C-N 3.33Å; S357-S359 PolarHBondContact O-N 3.4Å
358	G	39.4	Very low	49.1	Very low	89 Å²	89	105.4 Å²	105.4	92%	0.918	60%	0.601	S	S	*	*			trans	-73.9	87.6	168.6	0	0	0	0	0	109.4
359	S	38.6	Very low	49.5	Very low	92 Å²	92	96.1 Å²	96.1	64%	0.643	56%	0.558	S	S	*	*			trans	-74.9	137.4	168.6	48.8	0	0	0	0	109.6	S357 V361	S357-S359 VanDerWaalsContact C-N 3.33Å; S357-S359 PolarHBondContact O-N 3.4Å; S359-V361 PolarHBondContact O-N 3.41Å
360	Q	41.8	Very low	50.2	Low	197 Å²	197	91.4 Å²	91.4	92%	0.921	54%	0.535	S	S	*	.			trans	-41.1	107.7	173.9	-77.2	170.8	-36.1	0	0	111.5	D362	Q360-D362 PolarHBondContact O-N 3.13Å
361	V	45.8	Very low	50.9	Low	67 Å²	67	89 Å²	89	41%	0.406	52%	0.523	S	S	.	.			trans	-62.9	128.6	159.8	-178.4	0	0	0	0	106	S359 S363 M366	S359-V361 PolarHBondContact O-N 3.41Å; V361-S363 PolarHBondContact O-N 3.43Å; V361-M366 HydrophobicContact CG1-CB 4.35Å; V361-M366 HydrophobicContact CG1-SD 4.14Å
362	D	47.4	Very low	52.1	Low	96 Å²	96	83.1 Å²	83.1	51%	0.513	49%	0.492	S	S	.	.			trans	-61.7	96.4	-178.4	-149.3	-7.6	0	0	0	109.2	Q360 A364 R365 M366	Q360-D362 PolarHBondContact O-N 3.13Å; D362-A364 PolarHBondContact O-N 2.83Å; D362-R365 PolarHBondContact O-N 2.92Å; D362-R365 VanDerWaalsContact O-N 3.13Å; D362-M366 PolarHBondContact O-N 3.33Å
363	S	59.6	Low	53.1	Low	75 Å²	75	75.7 Å²	75.7	52%	0.524	45%	0.452	S	S	.	.	H	α-helix	trans	-56.6	-28.5	-165.2	179.5	0	0	0	0	112.5	V361 N367	V361-S363 PolarHBondContact O-N 3.43Å; S363-N367 WeakPolarHBondContact O-CB 3.33Å; S363-N367 PolarHBondContact O-N 2.9Å; S363-N367 PolarHBondContact O-ND2 3.35Å; S363-N367 PolarHBondContact O-OD1 3.06Å; S363-N367 VanDerWaalsContact O-OD1 3.12Å
364	A	58.8	Low	54.4	Low	47 Å²	47	64.9 Å²	64.9	39%	0.388	41%	0.412	S	S	.	.	H	α-helix	trans	-67.5	-40.8	-179.7	0	0	0	0	0	113.6	D362 N367 L368	D362-A364 PolarHBondContact O-N 2.83Å; A364-N367 PolarHBondContact O-N 3.01Å; A364-L368 PolarHBondContact O-N 3.43Å
365	R	59.7	Low	55.5	Low	92 Å²	92	54.3 Å²	54.3	35%	0.347	37%	0.366	S	S	.	.	H	α-helix	trans	-76	-34.1	178.6	-72.4	-173.6	173.9	161.1	4.7	112	D362 N367 L368 A369 N755 F758	D362-R365 PolarHBondContact O-N 2.92Å; D362-R365 VanDerWaalsContact O-N 3.13Å; R365-N367 VanDerWaalsContact C-N 3.34Å; R365-L368 PolarHBondContact O-N 3.08Å; R365-A369 PolarHBondContact O-N 3.45Å; R365-N755 PolarHBondContact NH1-OD1 3.48Å; R365-F758 WeakPolarHBondContact O-CD2 3.31Å
366	M	64.6	Low	57	Low	66 Å²	66	51.2 Å²	51.2	33%	0.325	33%	0.333	S	S	.	.	H	α-helix	trans	-62.6	-41.4	171.4	171.2	151.6	-175.4	0	0	111.8	V361 D362 A369 S370 R761	V361-M366 HydrophobicContact CG1-CB 4.35Å; V361-M366 HydrophobicContact CG1-SD 4.14Å; D362-M366 PolarHBondContact O-N 3.33Å; M366-A369 PolarHBondContact O-N 2.83Å; M366-S370 WeakPolarHBondContact O-CB 3.39Å; M366-S370 PolarHBondContact O-N 3.24Å; M366-S370 PolarHBondContact O-OG 3.1Å; M366-R761 PolarHBondContact SD-NH1 2.95Å
367	N	66.3	Low	58.1	Low	21 Å²	21	47 Å²	47	11%	0.112	29%	0.289	C	S	.	.	H	α-helix	trans	-67.9	-37.3	176.6	-64.7	-8.8	0	0	0	111.9	S363 A364 R365 S370 S371 W394 N398	S363-N367 WeakPolarHBondContact O-CB 3.33Å; S363-N367 PolarHBondContact O-N 2.9Å; S363-N367 PolarHBondContact O-ND2 3.35Å; S363-N367 PolarHBondContact O-OD1 3.06Å; S363-N367 VanDerWaalsContact O-OD1 3.12Å; A364-N367 PolarHBondContact O-N 3.01Å; R365-N367 VanDerWaalsContact C-N 3.34Å; N367-S370 PolarHBondContact O-N 3.2Å; N367-S371 PolarHBondContact O-N 2.97Å; N367-S371 PolarHBondContact O-OG 3.43Å; N367-W394 HydrophobicContact CB-CH2 3.96Å; N367-W394 HydrophobicContact CB-CZ2 3.68Å; N367-W394 WeakPolarHBondContact OD1-CH2 3.34Å; N367-N398 VanDerWaalsContact CB-OD1 3.25Å; N367-N398 WeakPolarHBondContact CB-OD1 3.4Å
368	L	62.8	Low	59.2	Low	13 Å²	13	42 Å²	42	7%	0.068	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-47.7	174	-175.9	58.5	0	0	0	112	A364 R365 S370 S371 F372 F758	A364-L368 PolarHBondContact O-N 3.43Å; R365-L368 PolarHBondContact O-N 3.08Å; L368-S370 VanDerWaalsContact C-N 3.26Å; L368-S370 PolarHBondContact O-N 3.19Å; L368-S371 WeakPolarHBondContact O-CB 3.25Å; L368-S371 PolarHBondContact O-N 3.01Å; L368-S371 VanDerWaalsContact O-N 3.1Å; L368-F372 HydrophobicContact CD1-CD2 4.1Å; L368-F372 HydrophobicContact CD1-CE2 3.64Å; L368-F372 HydrophobicContact CD2-CE2 4.32Å; L368-F372 HydrophobicContact CG-CD2 4.04Å; L368-F372 HydrophobicContact CG-CE2 3.76Å; L368-F372 WeakPolarHBondContact O-CD2 3.21Å; L368-F372 PolarHBondContact O-N 2.94Å; L368-F758 HydrophobicContact CB-CE2 4.19Å; L368-F758 HydrophobicContact CD2-CE2 4.13Å; L368-F758 HydrophobicContact CD2-CZ 4.42Å; L368-F758 HydrophobicContact CG-CE2 3.95Å; L368-F758 HydrophobicContact CG-CZ 4.45Å
369	A	62.9	Low	60.3	Low	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57	-43	174.4	0	0	0	0	0	111.4	R365 M366 S371 F372 V373 F758 R761	R365-A369 PolarHBondContact O-N 3.45Å; M366-A369 PolarHBondContact O-N 2.83Å; A369-S371 VanDerWaalsContact C-N 3.26Å; A369-S371 PolarHBondContact O-N 3.21Å; A369-F372 PolarHBondContact O-N 2.66Å; A369-V373 WeakPolarHBondContact O-CB 3.21Å; A369-V373 VanDerWaalsContact O-CG2 3.29Å; A369-V373 WeakPolarHBondContact O-CG2 3.48Å; A369-V373 PolarHBondContact O-N 3.25Å; A369-F758 HydrophobicContact CB-CD2 3.53Å; A369-F758 HydrophobicContact CB-CE2 3.83Å; A369-F758 HydrophobicContact CB-CG 4.42Å; A369-R761 HydrophobicContact CB-CB 4.1Å
370	S	68.3	Low	61.3	Low	18 Å²	18	33.7 Å²	33.7	13%	0.126	18%	0.182	C	C	.	.	H	α-helix	trans	-64.5	-33.1	179.3	-53.7	0	0	0	0	111.8	M366 N367 L368 N374	M366-S370 WeakPolarHBondContact O-CB 3.39Å; M366-S370 PolarHBondContact O-N 3.24Å; M366-S370 PolarHBondContact O-OG 3.1Å; N367-S370 PolarHBondContact O-N 3.2Å; L368-S370 VanDerWaalsContact C-N 3.26Å; L368-S370 PolarHBondContact O-N 3.19Å; S370-N374 VanDerWaalsContact O-CB 3.24Å; S370-N374 WeakPolarHBondContact O-CB 3.47Å; S370-N374 PolarHBondContact O-N 3.45Å
371	S	68.2	Low	62.1	Low	1 Å²	1	25.3 Å²	25.3	1%	0.007	14%	0.143	C	C	.	.	H	α-helix	trans	-70.1	-41.8	176.3	-50.8	0	0	0	0	111.6	N367 L368 A369 N374 G375 W394	N367-S371 PolarHBondContact O-N 2.97Å; N367-S371 PolarHBondContact O-OG 3.43Å; L368-S371 WeakPolarHBondContact O-CB 3.25Å; L368-S371 PolarHBondContact O-N 3.01Å; L368-S371 VanDerWaalsContact O-N 3.1Å; A369-S371 VanDerWaalsContact C-N 3.26Å; A369-S371 PolarHBondContact O-N 3.21Å; S371-N374 PolarHBondContact O-N 3.45Å; S371-G375 PolarHBondContact O-N 2.69Å; S371-W394 PolarHBondContact OG-NE1 3.17Å; S371-W394 VanDerWaalsContact OG-NE1 3.17Å
372	F	65.4	Low	62.5	Low	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.3	-46.4	172.3	-79.9	-67.2	0	0	0	112.3	L368 A369 N374 G375 F376 F758 L762 H813 L816 Y817	L368-F372 HydrophobicContact CD1-CD2 4.1Å; L368-F372 HydrophobicContact CD1-CE2 3.64Å; L368-F372 HydrophobicContact CD2-CE2 4.32Å; L368-F372 HydrophobicContact CG-CD2 4.04Å; L368-F372 HydrophobicContact CG-CE2 3.76Å; L368-F372 WeakPolarHBondContact O-CD2 3.21Å; L368-F372 PolarHBondContact O-N 2.94Å; A369-F372 PolarHBondContact O-N 2.66Å; F372-N374 VanDerWaalsContact C-N 3.28Å; F372-N374 PolarHBondContact O-N 3.14Å; F372-G375 PolarHBondContact O-N 3.33Å; F372-F376 HydrophobicContact CB-CD2 4.24Å; F372-F376 HydrophobicContact CB-CE2 4.04Å; F372-F376 AromaticContact CD1-CE2 3.95Å; F372-F376 HydrophobicContact CD1-CE2 3.95Å; F372-F376 HydrophobicContact CD1-CZ 4.42Å; F372-F376 HydrophobicContact CG-CE2 4.41Å; F372-F376 WeakPolarHBondContact O-CD2 3.42Å; F372-F376 WeakPolarHBondContact O-CG 3.49Å; F372-F376 PolarHBondContact O-N 2.71Å; F372-F758 HydrophobicContact CD2-CE2 4.39Å; F372-F758 HydrophobicContact CD2-CZ 4.11Å; F372-F758 HydrophobicContact CE2-CZ 4.23Å; F372-L762 HydrophobicContact CB-CD1 4.06Å; F372-L762 HydrophobicContact CG-CD1 4.39Å; F372-H813 HydrophobicContact CE2-CB 4.09Å; F372-H813 HydrophobicContact CZ-CB 3.82Å; F372-L816 HydrophobicContact CE1-CB 4.33Å; F372-L816 HydrophobicContact CE1-CD1 4.27Å; F372-L816 HydrophobicContact CZ-CD1 4.27Å; F372-Y817 HydrophobicContact CD1-CE1 4.04Å; F372-Y817 AromaticContact CD1-CZ 3.93Å; F372-Y817 AromaticContact CE1-CE1 3.77Å; F372-Y817 HydrophobicContact CE1-CE1 3.77Å; F372-Y817 AromaticContact CE1-CE2 3.84Å; F372-Y817 HydrophobicContact CE1-CE2 3.84Å; F372-Y817 AromaticContact CE1-CZ 3.37Å; F372-Y817 VanDerWaalsContact CE1-OH 3.28Å; F372-Y817 WeakPolarHBondContact CE1-OH 3.34Å; F372-Y817 HydrophobicContact CZ-CE2 4.41Å
373	V	66.7	Low	62.8	Low	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-42.7	178.2	170.8	0	0	0	0	110.7	P341 I344 Y345 A369 F376 V377 R761	P341-V373 HydrophobicContact CB-CG1 3.97Å; P341-V373 HydrophobicContact CG-CG1 4.3Å; I344-V373 HydrophobicContact CD1-CG1 4.06Å; Y345-V373 HydrophobicContact CE1-CG1 4.48Å; Y345-V373 HydrophobicContact CE1-CG2 4.4Å; Y345-V373 WeakPolarHBondContact OH-CG2 3.5Å; A369-V373 WeakPolarHBondContact O-CB 3.21Å; A369-V373 VanDerWaalsContact O-CG2 3.29Å; A369-V373 WeakPolarHBondContact O-CG2 3.48Å; A369-V373 PolarHBondContact O-N 3.25Å; V373-F376 PolarHBondContact O-N 3.22Å; V373-V377 HydrophobicContact CG1-CG2 4.07Å; V373-V377 VanDerWaalsContact O-CB 3.27Å; V373-V377 WeakPolarHBondContact O-CB 3.21Å; V373-V377 WeakPolarHBondContact O-CG2 3.37Å; V373-V377 PolarHBondContact O-N 2.78Å; V373-R761 HydrophobicContact CG2-CB 4.45Å; V373-R761 WeakPolarHBondContact CG2-O 3.28Å
374	N	68.2	Low	62.6	Low	5 Å²	5	22.8 Å²	22.8	3%	0.027	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-47.3	176.4	-169.2	23.2	0	0	0	112.1	P341 S370 S371 F372 F376 V377 N378 D384 L387	P341-N374 HydrophobicContact CG-CB 3.89Å; S370-N374 VanDerWaalsContact O-CB 3.24Å; S370-N374 WeakPolarHBondContact O-CB 3.47Å; S370-N374 PolarHBondContact O-N 3.45Å; S371-N374 PolarHBondContact O-N 3.45Å; F372-N374 VanDerWaalsContact C-N 3.28Å; F372-N374 PolarHBondContact O-N 3.14Å; N374-F376 PolarHBondContact O-N 3.47Å; N374-V377 PolarHBondContact O-N 2.7Å; N374-N378 PolarHBondContact O-N 2.79Å; N374-N378 PolarHBondContact OD1-ND2 3.2Å; N374-D384 PolarHBondContact ND2-OD2 3.01Å; N374-D384 PolarHBondContact OD1-OD1 3.41Å; N374-D384 PolarHBondContact OD1-OD2 3.26Å; N374-L387 WeakPolarHBondContact ND2-CD1 3.41Å
375	G	64.9	Low	62.2	Low	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.3	-42.8	177.1	0	0	0	0	0	113.3	S371 F372 A379 M412	S371-G375 PolarHBondContact O-N 2.69Å; F372-G375 PolarHBondContact O-N 3.33Å; G375-A379 WeakPolarHBondContact O-CB 3.5Å; G375-A379 PolarHBondContact O-N 3.48Å; G375-M412 VanDerWaalsContact CA-CE 3.48Å
376	F	66.8	Low	61.9	Low	2 Å²	2	25.9 Å²	25.9	1%	0.009	13%	0.133	C	C	.	.	H	α-helix	trans	-70.9	-37	-179.9	-72.6	-53.6	0	0	0	112.7	F372 V373 N374 M412 L762 L766 L769 G770 L819	F372-F376 HydrophobicContact CB-CD2 4.24Å; F372-F376 HydrophobicContact CB-CE2 4.04Å; F372-F376 AromaticContact CD1-CE2 3.95Å; F372-F376 HydrophobicContact CD1-CE2 3.95Å; F372-F376 HydrophobicContact CD1-CZ 4.42Å; F372-F376 HydrophobicContact CG-CE2 4.41Å; F372-F376 WeakPolarHBondContact O-CD2 3.42Å; F372-F376 WeakPolarHBondContact O-CG 3.49Å; F372-F376 PolarHBondContact O-N 2.71Å; V373-F376 PolarHBondContact O-N 3.22Å; N374-F376 PolarHBondContact O-N 3.47Å; F376-M412 HydrophobicContact CD1-CE 4.04Å; F376-M412 HydrophobicContact CD1-SD 3.98Å; F376-M412 HydrophobicContact CE1-CE 4.1Å; F376-M412 HydrophobicContact CE1-SD 3.73Å; F376-M412 HydrophobicContact CG-CE 4.35Å; F376-M412 HydrophobicContact CZ-CE 4.45Å; F376-M412 HydrophobicContact CZ-SD 4.39Å; F376-L762 HydrophobicContact CD2-CD1 4.08Å; F376-L762 HydrophobicContact CE2-CD1 3.49Å; F376-L762 VanDerWaalsContact CE2-CD1 3.49Å; F376-L762 HydrophobicContact CZ-CD1 4.47Å; F376-L766 HydrophobicContact CD1-CD2 4.1Å; F376-L766 HydrophobicContact CD2-CD2 4.29Å; F376-L766 HydrophobicContact CE1-CD2 4.1Å; F376-L766 HydrophobicContact CE2-CD2 4.32Å; F376-L766 HydrophobicContact CG-CD2 4.21Å; F376-L766 HydrophobicContact CZ-CD2 4.22Å; F376-L769 HydrophobicContact CB-CD1 3.81Å; F376-L769 HydrophobicContact CD1-CD1 3.55Å; F376-L769 HydrophobicContact CG-CD1 4.07Å; F376-L769 WeakPolarHBondContact O-CA 3.22Å; F376-G770 PolarHBondContact O-N 3.24Å; F376-L819 HydrophobicContact CE1-CD2 4.28Å
377	V	64.5	Low	61.4	Low	1 Å²	1	23 Å²	23	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-75	-41.3	-176.1	170.2	0	0	0	0	111.5	K339 I344 V373 N374 A379 H768 K771	K339-V377 HydrophobicContact CB-CG1 4.02Å; I344-V377 HydrophobicContact CD1-CB 4.02Å; I344-V377 HydrophobicContact CD1-CG1 3.81Å; I344-V377 HydrophobicContact CD1-CG2 3.16Å; V373-V377 HydrophobicContact CG1-CG2 4.07Å; V373-V377 VanDerWaalsContact O-CB 3.27Å; V373-V377 WeakPolarHBondContact O-CB 3.21Å; V373-V377 WeakPolarHBondContact O-CG2 3.37Å; V373-V377 PolarHBondContact O-N 2.78Å; N374-V377 PolarHBondContact O-N 2.7Å; V377-A379 VanDerWaalsContact C-N 3.34Å; V377-H768 HydrophobicContact CG2-CB 4.16Å; V377-K771 HydrophobicContact CG1-CG 4.37Å; V377-K771 WeakPolarHBondContact O-CG 3.21Å; V377-K771 PolarHBondContact O-N 3.03Å
378	N	63.3	Low	60.8	Low	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	17.8	-176.9	-64.9	-43.1	0	0	0	112.6	K339 N374 A380 F381 I413 K771	K339-N378 PolarHBondContact O-ND2 2.91Å; N374-N378 PolarHBondContact O-N 2.79Å; N374-N378 PolarHBondContact OD1-ND2 3.2Å; N378-A380 PolarHBondContact O-N 3.15Å; N378-F381 PolarHBondContact O-N 2.71Å; N378-I413 HydrophobicContact CB-CG1 4.47Å; N378-K771 WeakPolarHBondContact OD1-CE 3.48Å
379	A	62.8	Low	60.3	Low	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	129.7	177.3	0	0	0	0	0	111.6	G375 V377 F381 M412 L774 M823	G375-A379 WeakPolarHBondContact O-CB 3.5Å; G375-A379 PolarHBondContact O-N 3.48Å; V377-A379 VanDerWaalsContact C-N 3.34Å; A379-F381 VanDerWaalsContact C-N 3.32Å; A379-F381 WeakPolarHBondContact O-CD2 3.2Å; A379-F381 PolarHBondContact O-N 3.01Å; A379-M412 VanDerWaalsContact CA-O 3.22Å; A379-M412 WeakPolarHBondContact CA-O 3.47Å; A379-L774 HydrophobicContact CB-CD1 3.75Å; A379-M823 HydrophobicContact CB-CE 3.71Å
380	A	59	Low	59.8	Low	6 Å²	6	35.7 Å²	35.7	5%	0.05	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	12.7	179.8	0	0	0	0	0	117.3	F326 N378 M412 I413 L415	F326-A380 HydrophobicContact CD1-CB 3.95Å; F326-A380 HydrophobicContact CE1-CB 3.5Å; F326-A380 WeakPolarHBondContact CE1-O 3.26Å; F326-A380 HydrophobicContact CZ-CB 4.1Å; N378-A380 PolarHBondContact O-N 3.15Å; A380-M412 PolarHBondContact N-O 3.48Å; A380-I413 PolarHBondContact N-O 3.28Å; A380-L415 HydrophobicContact CB-CB 4.27Å
381	F	57.3	Low	59	Low	22 Å²	22	35 Å²	35	10%	0.096	19%	0.185	C	C	.	.	S	Bend	trans	-100	-0.1	178.4	-71	-86.2	0	0	0	114.5	F326 A330 N378 A379 Q383 G770 K771 T773	F326-F381 HydrophobicContact CE1-CD2 4.48Å; F326-F381 HydrophobicContact CE1-CE1 4.32Å; F326-F381 HydrophobicContact CE1-CE2 4.19Å; F326-F381 HydrophobicContact CE1-CZ 4.11Å; F326-F381 HydrophobicContact CZ-CE2 4.14Å; F326-F381 HydrophobicContact CZ-CZ 4.03Å; A330-F381 HydrophobicContact CB-CD1 3.86Å; A330-F381 HydrophobicContact CB-CE1 3.47Å; A330-F381 VanDerWaalsContact CB-CE1 3.47Å; N378-F381 PolarHBondContact O-N 2.71Å; A379-F381 VanDerWaalsContact C-N 3.32Å; A379-F381 WeakPolarHBondContact O-CD2 3.2Å; A379-F381 PolarHBondContact O-N 3.01Å; F381-Q383 PolarHBondContact O-N 3.33Å; F381-G770 WeakPolarHBondContact CE2-O 3.42Å; F381-K771 HydrophobicContact CD2-CD 4.38Å; F381-K771 HydrophobicContact CE1-CD 4.43Å; F381-K771 HydrophobicContact CE2-CB 4.48Å; F381-K771 HydrophobicContact CE2-CD 4.08Å; F381-K771 HydrophobicContact CE2-CG 4.17Å; F381-K771 HydrophobicContact CZ-CB 4.49Å; F381-K771 HydrophobicContact CZ-CD 4.11Å; F381-K771 HydrophobicContact CZ-CG 4.46Å; F381-T773 HydrophobicContact CZ-CG2 4.3Å
382	G	55.4	Low	58.6	Low	28 Å²	28	39.4 Å²	39.4	29%	0.289	21%	0.209	S	C	.	.	S	Bend	trans	71.9	-14.8	165.9	0	0	0	0	0	117.6	I413	G382-I413 PolarHBondContact N-O 3.39Å
383	Q	52.4	Low	58.3	Low	154 Å²	154	46 Å²	46	72%	0.72	24%	0.237	S	C	*	.			trans	-142.7	137.1	175.1	-64.9	-173.9	-1.4	0	0	112.3	F381	F381-Q383 PolarHBondContact O-N 3.33Å
384	D	55.4	Low	58.2	Low	3 Å²	3	48.8 Å²	48.8	2%	0.016	25%	0.248	C	C	.	.			trans	-138.4	137.9	172.8	170.9	43	0	0	0	111	N374 L386 L387 T388 I413	N374-D384 PolarHBondContact ND2-OD2 3.01Å; N374-D384 PolarHBondContact OD1-OD1 3.41Å; N374-D384 PolarHBondContact OD1-OD2 3.26Å; D384-L386 PolarHBondContact OD1-N 3.04Å; D384-L386 WeakPolarHBondContact OD2-CB 3.43Å; D384-L386 PolarHBondContact OD2-N 3.4Å; D384-L387 PolarHBondContact OD2-N 3.37Å; D384-T388 PolarHBondContact O-N 2.96Å; D384-T388 PolarHBondContact O-OG1 3.43Å; D384-I413 HydrophobicContact CB-CD1 4.19Å; D384-I413 HydrophobicContact CB-CG2 4.45Å
385	K	51	Low	58	Low	142 Å²	142	48.9 Å²	48.9	62%	0.617	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-20.8	-178	-70.2	-179.7	179.8	174.1	0	113.5	P338	P338-K385 HydrophobicContact CG-CD 4.15Å; P338-K385 HydrophobicContact CG-CG 3.97Å
386	L	52.8	Low	58.1	Low	62 Å²	62	54.2 Å²	54.2	33%	0.325	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-43.3	-175.9	-84.8	159.8	0	0	0	113	V340 P341 D384 G391	V340-L386 HydrophobicContact CG1-CD1 3.77Å; P341-L386 VanDerWaalsContact CD-CD1 3.41Å; P341-L386 HydrophobicContact CG-CD1 4.14Å; D384-L386 PolarHBondContact OD1-N 3.04Å; D384-L386 WeakPolarHBondContact OD2-CB 3.43Å; D384-L386 PolarHBondContact OD2-N 3.4Å; L386-G391 PolarHBondContact O-N 3.06Å
387	L	55	Low	58.1	Low	5 Å²	5	60.1 Å²	60.1	3%	0.026	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-23.2	-173.2	-80.5	164.9	0	0	0	114.7	N374 D384 G391 L410 I413	N374-L387 WeakPolarHBondContact ND2-CD1 3.41Å; D384-L387 PolarHBondContact OD2-N 3.37Å; L387-G391 VanDerWaalsContact O-CA 3.23Å; L387-G391 WeakPolarHBondContact O-CA 3.44Å; L387-L410 HydrophobicContact CB-CD2 3.87Å; L387-L410 HydrophobicContact CD1-CD2 4.44Å; L387-I413 HydrophobicContact CB-CD1 4.45Å; L387-I413 HydrophobicContact CD1-CD1 3.53Å
388	T	52.8	Low	58.1	Low	71 Å²	71	60.2 Å²	60.2	44%	0.436	30%	0.295	S	S	.	.	S	Bend	trans	-91.9	-32.6	179.8	60.5	0	0	0	0	114	D384	D384-T388 PolarHBondContact O-N 2.96Å; D384-T388 PolarHBondContact O-OG1 3.43Å
389	D	53	Low	58.3	Low	140 Å²	140	68 Å²	68	75%	0.749	33%	0.329	S	S	*	.	S	Bend	trans	-96.5	-33.5	-178.2	-76	-29.7	0	0	0	114.4
390	D	52.1	Low	58.7	Low	90 Å²	90	72.3 Å²	72.3	48%	0.481	35%	0.352	S	S	.	.	S	Bend	trans	-120.1	6.2	-179.1	-128.2	-3.2	0	0	0	112.7	N392 K393 W394	D390-N392 VanDerWaalsContact C-N 3.34Å; D390-N392 PolarHBondContact O-N 3.45Å; D390-K393 PolarHBondContact O-N 3.27Å; D390-K393 VanDerWaalsContact O-N 3.1Å; D390-K393 IonicContact OD1-NZ 3.99Å; D390-K393 PolarHBondContact OD1-NZ 2.75Å; D390-K393 VanDerWaalsContact OD1-NZ 3.09Å; D390-W394 PolarHBondContact O-N 2.69Å
391	G	51.9	Low	59.1	Low	3 Å²	3	74 Å²	74	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-61	-31	-169.2	0	0	0	0	0	115.6	L386 L387 K393 W394 L395	L386-G391 PolarHBondContact O-N 3.06Å; L387-G391 VanDerWaalsContact O-CA 3.23Å; L387-G391 WeakPolarHBondContact O-CA 3.44Å; G391-K393 VanDerWaalsContact C-N 3.35Å; G391-K393 PolarHBondContact O-N 3.38Å; G391-W394 PolarHBondContact O-N 3.27Å; G391-L395 WeakPolarHBondContact O-CB 3.34Å; G391-L395 PolarHBondContact O-N 3.36Å
392	N	59.1	Low	59.4	Low	94 Å²	94	73.3 Å²	73.3	50%	0.503	36%	0.358	S	S	.	.	H	α-helix	trans	-64.6	-41.2	176.6	-119.4	-11.9	0	0	0	111.1	D390 Y396	D390-N392 VanDerWaalsContact C-N 3.34Å; D390-N392 PolarHBondContact O-N 3.45Å; N392-Y396 WeakPolarHBondContact O-CD2 3.35Å; N392-Y396 PolarHBondContact O-N 2.94Å
393	K	60.5	Low	60.2	Low	137 Å²	137	72.8 Å²	72.8	60%	0.596	35%	0.348	S	S	*	.	H	α-helix	trans	-73	-32.4	177.4	-64.3	177.2	-162	142.4	0	112.2	D390 G391 K397	D390-K393 PolarHBondContact O-N 3.27Å; D390-K393 VanDerWaalsContact O-N 3.1Å; D390-K393 IonicContact OD1-NZ 3.99Å; D390-K393 PolarHBondContact OD1-NZ 2.75Å; D390-K393 VanDerWaalsContact OD1-NZ 3.09Å; G391-K393 VanDerWaalsContact C-N 3.35Å; G391-K393 PolarHBondContact O-N 3.38Å; K393-K397 WeakPolarHBondContact O-CD 3.43Å; K393-K397 WeakPolarHBondContact O-CG 3.21Å; K393-K397 PolarHBondContact O-N 3.28Å
394	W	63.4	Low	61.1	Low	60 Å²	60	65.9 Å²	65.9	23%	0.227	32%	0.316	C	S	.	.	H	α-helix	trans	-75.4	-39	179	-171	-103	0	0	0	112.3	N367 S371 D390 G391 K397	N367-W394 HydrophobicContact CB-CH2 3.96Å; N367-W394 HydrophobicContact CB-CZ2 3.68Å; N367-W394 WeakPolarHBondContact OD1-CH2 3.34Å; S371-W394 PolarHBondContact OG-NE1 3.17Å; S371-W394 VanDerWaalsContact OG-NE1 3.17Å; D390-W394 PolarHBondContact O-N 2.69Å; G391-W394 PolarHBondContact O-N 3.27Å; W394-K397 HydrophobicContact CE3-CD 4.12Å; W394-K397 WeakPolarHBondContact O-CB 3.17Å; W394-K397 PolarHBondContact O-N 3.25Å
395	L	63.9	Low	61.7	Low	6 Å²	6	65.8 Å²	65.8	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-61.9	-47.3	176.2	-173.8	62.9	0	0	0	111.2	G391 K397 N398 M403 A406 A407 Y428 I436	G391-L395 WeakPolarHBondContact O-CB 3.34Å; G391-L395 PolarHBondContact O-N 3.36Å; L395-K397 PolarHBondContact O-N 2.87Å; L395-N398 PolarHBondContact O-N 3.25Å; L395-M403 HydrophobicContact CD1-CB 4.39Å; L395-M403 WeakPolarHBondContact CD1-O 3.14Å; L395-A406 HydrophobicContact CD1-CB 3.57Å; L395-A407 HydrophobicContact CD1-CB 4.38Å; L395-Y428 HydrophobicContact CD2-CD1 4.12Å; L395-Y428 HydrophobicContact CD2-CE1 4.41Å; L395-I436 HydrophobicContact CD2-CD1 3.73Å; L395-I436 HydrophobicContact CD2-CG1 4.03Å; L395-I436 HydrophobicContact CD2-CG2 3.95Å; L395-I436 HydrophobicContact CG-CD1 4.01Å; L395-I436 HydrophobicContact CG-CG1 4.25Å
396	Y	67.3	Low	62.7	Low	112 Å²	112	59.1 Å²	59.1	44%	0.439	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.6	176.7	-68.1	-57.2	0	0	0	114.4	N392 S431 I436	N392-Y396 WeakPolarHBondContact O-CD2 3.35Å; N392-Y396 PolarHBondContact O-N 2.94Å; Y396-S431 PolarHBondContact OH-OG 3.26Å; Y396-I436 HydrophobicContact CD1-CD1 4.41Å; Y396-I436 HydrophobicContact CE1-CD1 3.85Å
397	K	66.6	Low	63.6	Low	127 Å²	127	56.2 Å²	56.2	55%	0.552	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-23.7	172.3	-82.7	170.9	-175.5	178.5	0	112.4	K393 W394 L395	K393-K397 WeakPolarHBondContact O-CD 3.43Å; K393-K397 WeakPolarHBondContact O-CG 3.21Å; K393-K397 PolarHBondContact O-N 3.28Å; W394-K397 HydrophobicContact CE3-CD 4.12Å; W394-K397 WeakPolarHBondContact O-CB 3.17Å; W394-K397 PolarHBondContact O-N 3.25Å; L395-K397 PolarHBondContact O-N 2.87Å
398	N	64.6	Low	64.4	Low	2 Å²	2	56 Å²	56	1%	0.011	27%	0.271	C	S	.	.	S	Bend	trans	-83.2	155	174.9	-65.4	-21.2	0	0	0	109.8	N367 L395 G402 M403	N367-N398 VanDerWaalsContact CB-OD1 3.25Å; N367-N398 WeakPolarHBondContact CB-OD1 3.4Å; L395-N398 PolarHBondContact O-N 3.25Å; N398-G402 PolarHBondContact ND2-O 3.41Å; N398-M403 HydrophobicContact CB-CG 4.36Å; N398-M403 WeakPolarHBondContact O-CE 3.48Å; N398-M403 VanDerWaalsContact O-CG 3.25Å; N398-M403 WeakPolarHBondContact O-CG 3.26Å
399	K	67.1	Low	65.2	Low	165 Å²	165	52.6 Å²	52.6	72%	0.717	25%	0.25	S	C	*	.			trans	-112.5	141	178.3	-69.4	-169.4	176.8	-173.8	0	111.6	H401 G402	K399-H401 PolarHBondContact O-N 3.34Å; K399-H401 VanDerWaalsContact O-N 3.17Å; K399-G402 PolarHBondContact O-N 3.31Å
400	D	72.4	Confident	66	Low	89 Å²	89	46.5 Å²	46.5	48%	0.476	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	-110.3	171.7	-48.8	-35.2	0	0	0	113.3	G402 M403 L404 Y435	D400-G402 PolarHBondContact O-N 3.28Å; D400-G402 VanDerWaalsContact O-N 3.15Å; D400-M403 WeakPolarHBondContact O-CB 3.16Å; D400-M403 PolarHBondContact O-N 3.43Å; D400-L404 PolarHBondContact O-N 3.36Å; D400-Y435 HydrophobicContact CB-CD2 4.48Å; D400-Y435 HydrophobicContact CB-CE1 4.35Å; D400-Y435 HydrophobicContact CB-CE2 4.06Å
401	H	67.4	Low	66.7	Low	42 Å²	42	42.2 Å²	42.2	19%	0.194	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-21	179.7	-57.9	82.4	0	0	0	113.5	K399 S405 K811	K399-H401 PolarHBondContact O-N 3.34Å; K399-H401 VanDerWaalsContact O-N 3.17Å; H401-S405 WeakPolarHBondContact O-CB 3.39Å; H401-S405 PolarHBondContact O-N 2.82Å; H401-S405 PolarHBondContact O-OG 3.29Å; H401-K811 PolarHBondContact CD2-O 3.39Å
402	G	63.1	Low	67.5	Low	8 Å²	8	42.1 Å²	42.1	8%	0.082	19%	0.193	C	C	.	.	H	α-helix	trans	-73.4	-27.2	172.3	0	0	0	0	0	113.5	N398 K399 D400 A406	N398-G402 PolarHBondContact ND2-O 3.41Å; K399-G402 PolarHBondContact O-N 3.31Å; D400-G402 PolarHBondContact O-N 3.28Å; D400-G402 VanDerWaalsContact O-N 3.15Å; G402-A406 VanDerWaalsContact O-CB 3.29Å; G402-A406 WeakPolarHBondContact O-CB 3.49Å; G402-A406 PolarHBondContact O-N 2.94Å
403	M	72.1	Confident	68.2	Low	17 Å²	17	37.8 Å²	37.8	8%	0.084	17%	0.17	C	C	.	.	H	α-helix	trans	-73.8	-42.5	172.1	-62.4	164.2	162.9	0	0	110.5	L395 N398 D400 S405 A406 A407 E433 I436	L395-M403 HydrophobicContact CD1-CB 4.39Å; L395-M403 WeakPolarHBondContact CD1-O 3.14Å; N398-M403 HydrophobicContact CB-CG 4.36Å; N398-M403 WeakPolarHBondContact O-CE 3.48Å; N398-M403 VanDerWaalsContact O-CG 3.25Å; N398-M403 WeakPolarHBondContact O-CG 3.26Å; D400-M403 WeakPolarHBondContact O-CB 3.16Å; D400-M403 PolarHBondContact O-N 3.43Å; M403-S405 VanDerWaalsContact C-N 3.34Å; M403-S405 PolarHBondContact O-N 3.24Å; M403-A406 PolarHBondContact O-N 3.36Å; M403-A407 WeakPolarHBondContact O-CB 3.46Å; M403-A407 PolarHBondContact O-N 3.21Å; M403-E433 WeakPolarHBondContact CE-OE2 3.37Å; M403-I436 HydrophobicContact CB-CG1 4.04Å
404	L	72	Confident	68.6	Low	8 Å²	8	32 Å²	32	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-57.9	-47.9	173.4	-176.3	158.8	0	0	0	111	D400 A407 A408 Y435 I472	D400-L404 PolarHBondContact O-N 3.36Å; L404-A407 PolarHBondContact O-N 3.23Å; L404-A408 WeakPolarHBondContact O-CB 3.32Å; L404-A408 PolarHBondContact O-N 3.43Å; L404-Y435 WeakPolarHBondContact CA-O 3.45Å; L404-Y435 HydrophobicContact CB-CD1 4.43Å; L404-Y435 WeakPolarHBondContact CB-O 3.4Å; L404-Y435 HydrophobicContact CD1-CD1 4.49Å; L404-I472 HydrophobicContact CD1-CG2 3.88Å
405	S	67.3	Low	68.7	Low	2 Å²	2	29.2 Å²	29.2	1%	0.014	14%	0.135	C	C	.	.	H	α-helix	trans	-66.9	-39.5	-179.5	-55.5	0	0	0	0	112.3	H401 M403 A408 S409 Y817	H401-S405 WeakPolarHBondContact O-CB 3.39Å; H401-S405 PolarHBondContact O-N 2.82Å; H401-S405 PolarHBondContact O-OG 3.29Å; M403-S405 VanDerWaalsContact C-N 3.34Å; M403-S405 PolarHBondContact O-N 3.24Å; S405-A408 PolarHBondContact O-N 3.45Å; S405-S409 PolarHBondContact O-N 3.39Å; S405-Y817 PolarHBondContact O-OH 2.69Å
406	A	71.6	Confident	68.8	Low	1 Å²	1	30.5 Å²	30.5	1%	0.008	14%	0.139	C	C	.	.	H	α-helix	trans	-66.8	-40.4	176.4	0	0	0	0	0	112.2	L395 G402 M403 S409	L395-A406 HydrophobicContact CD1-CB 3.57Å; G402-A406 VanDerWaalsContact O-CB 3.29Å; G402-A406 WeakPolarHBondContact O-CB 3.49Å; G402-A406 PolarHBondContact O-N 2.94Å; M403-A406 PolarHBondContact O-N 3.36Å; A406-S409 PolarHBondContact O-N 2.74Å; A406-S409 PolarHBondContact O-OG 3.46Å
407	A	73.2	Confident	68.8	Low	1 Å²	1	27.2 Å²	27.2	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-64.6	-41.7	173.3	0	0	0	0	0	112.1	L395 M403 L404 S409 L410 I436	L395-A407 HydrophobicContact CD1-CB 4.38Å; M403-A407 WeakPolarHBondContact O-CB 3.46Å; M403-A407 PolarHBondContact O-N 3.21Å; L404-A407 PolarHBondContact O-N 3.23Å; A407-S409 VanDerWaalsContact C-N 3.27Å; A407-S409 PolarHBondContact O-N 3.33Å; A407-L410 VanDerWaalsContact O-CB 3.31Å; A407-L410 WeakPolarHBondContact O-CB 3.16Å; A407-L410 PolarHBondContact O-N 3.12Å; A407-I436 HydrophobicContact CB-CG2 4.5Å
408	A	70.9	Confident	68.6	Low	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.9	-29.7	175.8	0	0	0	0	0	113.1	L404 S405 L410 G411 G439 L442 Y817	L404-A408 WeakPolarHBondContact O-CB 3.32Å; L404-A408 PolarHBondContact O-N 3.43Å; S405-A408 PolarHBondContact O-N 3.45Å; A408-L410 PolarHBondContact O-N 2.9Å; A408-G411 PolarHBondContact O-N 2.95Å; A408-G439 WeakPolarHBondContact CA-O 3.31Å; A408-G439 PolarHBondContact N-O 3.08Å; A408-L442 HydrophobicContact CB-CD2 3.99Å; A408-L442 HydrophobicContact CB-CG 4.32Å; A408-Y817 HydrophobicContact CB-CD2 3.73Å; A408-Y817 HydrophobicContact CB-CE2 3.27Å
409	S	69.3	Low	68.5	Low	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.6	-24.2	177	77.1	0	0	0	0	113.4	S405 A406 A407 G411 M412 I413 Y817	S405-S409 PolarHBondContact O-N 3.39Å; A406-S409 PolarHBondContact O-N 2.74Å; A406-S409 PolarHBondContact O-OG 3.46Å; A407-S409 VanDerWaalsContact C-N 3.27Å; A407-S409 PolarHBondContact O-N 3.33Å; S409-G411 VanDerWaalsContact C-N 3.28Å; S409-G411 PolarHBondContact O-N 3.07Å; S409-M412 PolarHBondContact O-N 2.9Å; S409-I413 WeakPolarHBondContact O-CG1 3.18Å; S409-I413 PolarHBondContact O-N 3.32Å; S409-Y817 PolarHBondContact N-OH 3Å
410	L	69.6	Low	68.5	Low	12 Å²	12	21.3 Å²	21.3	6%	0.063	12%	0.118	C	C	.	.	H	α-helix	trans	-62.2	-37.9	170.9	-65.1	168.5	0	0	0	111.3	L387 A407 A408 M412 I413 L414 Y428	L387-L410 HydrophobicContact CB-CD2 3.87Å; L387-L410 HydrophobicContact CD1-CD2 4.44Å; A407-L410 VanDerWaalsContact O-CB 3.31Å; A407-L410 WeakPolarHBondContact O-CB 3.16Å; A407-L410 PolarHBondContact O-N 3.12Å; A408-L410 PolarHBondContact O-N 2.9Å; L410-M412 VanDerWaalsContact C-N 3.3Å; L410-M412 PolarHBondContact O-N 3.3Å; L410-I413 PolarHBondContact O-N 3.06Å; L410-L414 PolarHBondContact O-N 2.78Å; L410-L414 VanDerWaalsContact O-N 3.08Å; L410-Y428 HydrophobicContact CD1-CD1 4.47Å; L410-Y428 HydrophobicContact CD1-CD2 3.51Å; L410-Y428 HydrophobicContact CD1-CE1 4.36Å; L410-Y428 HydrophobicContact CD1-CE2 3.38Å; L410-Y428 HydrophobicContact CD1-CG 4.08Å
411	G	68.5	Low	68.3	Low	0 Å²	0	17 Å²	17	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.5	-35.6	176.4	0	0	0	0	0	112.7	A408 S409 L414 L415 I446	A408-G411 PolarHBondContact O-N 2.95Å; S409-G411 VanDerWaalsContact C-N 3.28Å; S409-G411 PolarHBondContact O-N 3.07Å; G411-L414 CarbonylContact O-C 3.39Å; G411-L415 PolarHBondContact O-N 3.16Å; G411-L415 VanDerWaalsContact O-N 3.09Å; G411-I446 VanDerWaalsContact C-CG2 3.42Å; G411-I446 WeakPolarHBondContact O-CG2 3.45Å
412	M	68.3	Low	68.5	Low	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-70.6	-34.8	175.1	-65.5	-163.7	-51.9	0	0	112.9	G375 F376 A379 A380 S409 L410 L414 L415 I446 Y817 V820	G375-M412 VanDerWaalsContact CA-CE 3.48Å; F376-M412 HydrophobicContact CD1-CE 4.04Å; F376-M412 HydrophobicContact CD1-SD 3.98Å; F376-M412 HydrophobicContact CE1-CE 4.1Å; F376-M412 HydrophobicContact CE1-SD 3.73Å; F376-M412 HydrophobicContact CG-CE 4.35Å; F376-M412 HydrophobicContact CZ-CE 4.45Å; F376-M412 HydrophobicContact CZ-SD 4.39Å; A379-M412 VanDerWaalsContact CA-O 3.22Å; A379-M412 WeakPolarHBondContact CA-O 3.47Å; A380-M412 PolarHBondContact N-O 3.48Å; S409-M412 PolarHBondContact O-N 2.9Å; L410-M412 VanDerWaalsContact C-N 3.3Å; L410-M412 PolarHBondContact O-N 3.3Å; M412-L414 VanDerWaalsContact C-N 3.32Å; M412-L415 VanDerWaalsContact O-CB 3.23Å; M412-L415 WeakPolarHBondContact O-CB 3.38Å; M412-L415 PolarHBondContact O-N 3.01Å; M412-I446 HydrophobicContact CG-CG2 4.11Å; M412-Y817 HydrophobicContact CE-CD1 4.02Å; M412-Y817 HydrophobicContact CE-CE1 3.38Å; M412-Y817 HydrophobicContact CG-CD1 3.94Å; M412-Y817 HydrophobicContact CG-CE1 4.04Å; M412-Y817 HydrophobicContact SD-CD1 3.35Å; M412-Y817 WeakPolarHBondContact SD-CD1 3.4Å; M412-Y817 HydrophobicContact SD-CE1 3.4Å; M412-Y817 WeakPolarHBondContact SD-CE1 3.11Å; M412-V820 HydrophobicContact CG-CG2 3.99Å; M412-V820 HydrophobicContact SD-CG2 4.09Å
413	I	72.8	Confident	69.2	Low	4 Å²	4	19.3 Å²	19.3	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-67	-39.5	177.7	-66.4	165.7	0	0	0	110.5	N378 A380 G382 D384 L387 S409 L410 L415	N378-I413 HydrophobicContact CB-CG1 4.47Å; A380-I413 PolarHBondContact N-O 3.28Å; G382-I413 PolarHBondContact N-O 3.39Å; D384-I413 HydrophobicContact CB-CD1 4.19Å; D384-I413 HydrophobicContact CB-CG2 4.45Å; L387-I413 HydrophobicContact CB-CD1 4.45Å; L387-I413 HydrophobicContact CD1-CD1 3.53Å; S409-I413 WeakPolarHBondContact O-CG1 3.18Å; S409-I413 PolarHBondContact O-N 3.32Å; L410-I413 PolarHBondContact O-N 3.06Å; I413-L415 VanDerWaalsContact C-N 3.29Å
414	L	68.4	Low	69.2	Low	14 Å²	14	22.1 Å²	22.1	7%	0.073	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	21.3	179.8	-64.3	154.8	0	0	0	112.2	L410 G411 M412 W416 D417 Q424 V447	L410-L414 PolarHBondContact O-N 2.78Å; L410-L414 VanDerWaalsContact O-N 3.08Å; G411-L414 CarbonylContact O-C 3.39Å; M412-L414 VanDerWaalsContact C-N 3.32Å; L414-W416 PolarHBondContact O-N 3.21Å; L414-D417 WeakPolarHBondContact O-CB 3.12Å; L414-D417 PolarHBondContact O-N 3.29Å; L414-Q424 HydrophobicContact CD1-CB 3.96Å; L414-V447 HydrophobicContact CB-CG2 4.01Å
415	L	66.2	Low	69.2	Low	3 Å²	3	21.9 Å²	21.9	2%	0.016	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	132.4	-178.4	-166.4	75.7	0	0	0	110.2	A380 G411 M412 I413 D417 I446 V820	A380-L415 HydrophobicContact CB-CB 4.27Å; G411-L415 PolarHBondContact O-N 3.16Å; G411-L415 VanDerWaalsContact O-N 3.09Å; M412-L415 VanDerWaalsContact O-CB 3.23Å; M412-L415 WeakPolarHBondContact O-CB 3.38Å; M412-L415 PolarHBondContact O-N 3.01Å; I413-L415 VanDerWaalsContact C-N 3.29Å; L415-D417 VanDerWaalsContact C-N 3.28Å; L415-D417 PolarHBondContact O-N 3.14Å; L415-I446 HydrophobicContact CD1-CG2 3.61Å; L415-I446 WeakPolarHBondContact CD1-O 3.38Å; L415-V820 HydrophobicContact CD1-CG1 3.43Å; L415-V820 VanDerWaalsContact CD1-CG1 3.43Å; L415-V820 HydrophobicContact CD2-CG1 4.43Å
416	W	66.6	Low	69.6	Low	32 Å²	32	24.2 Å²	24.2	12%	0.121	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	6.6	-176.6	-47.2	89.5	0	0	0	115.8	N319 L322 N323 L414 V447 S449 G450 V451	N319-W416 HydrophobicContact CB-CZ3 4.2Å; N319-W416 WeakPolarHBondContact ND2-CZ3 3.42Å; L322-W416 HydrophobicContact CD1-CE3 4.4Å; L322-W416 HydrophobicContact CD1-CZ3 4.33Å; L322-W416 HydrophobicContact CD2-CD2 4Å; L322-W416 HydrophobicContact CD2-CE3 4.11Å; L322-W416 HydrophobicContact CD2-CG 4.12Å; N323-W416 HydrophobicContact CB-CB 4.04Å; N323-W416 VanDerWaalsContact CB-O 3.31Å; N323-W416 WeakPolarHBondContact CB-O 3.32Å; N323-W416 VanDerWaalsContact ND2-C 3.33Å; N323-W416 PolarHBondContact ND2-O 2.81Å; L414-W416 PolarHBondContact O-N 3.21Å; W416-V447 PolarHBondContact N-O 3.28Å; W416-S449 WeakPolarHBondContact CH2-O 3.45Å; W416-S449 WeakPolarHBondContact CZ2-O 3.48Å; W416-G450 WeakPolarHBondContact CZ3-O 3.45Å; W416-V451 HydrophobicContact CB-CG2 4.24Å; W416-V451 HydrophobicContact CD2-CG2 4.07Å; W416-V451 HydrophobicContact CE3-CG2 3.19Å; W416-V451 HydrophobicContact CZ3-CG2 3.79Å
417	D	67.2	Low	69.8	Low	43 Å²	43	30.5 Å²	30.5	23%	0.23	16%	0.161	C	C	.	.			trans	-100	85	177	-171.1	9.3	0	0	0	112.8	N323 L414 L415 G420 G421 V447	N323-D417 WeakPolarHBondContact ND2-CA 3.38Å; N323-D417 VanDerWaalsContact ND2-CB 3.33Å; N323-D417 WeakPolarHBondContact ND2-CB 3.26Å; N323-D417 PolarHBondContact ND2-N 3.22Å; L414-D417 WeakPolarHBondContact O-CB 3.12Å; L414-D417 PolarHBondContact O-N 3.29Å; L415-D417 VanDerWaalsContact C-N 3.28Å; L415-D417 PolarHBondContact O-N 3.14Å; D417-G420 PolarHBondContact OD1-N 2.65Å; D417-G421 VanDerWaalsContact O-CA 3.26Å; D417-G421 WeakPolarHBondContact O-CA 3.33Å; D417-G421 PolarHBondContact O-N 3.08Å; D417-G421 PolarHBondContact OD2-N 3.23Å; D417-V447 WeakPolarHBondContact O-CG1 3.46Å
418	V	61.9	Low	69.8	Low	16 Å²	16	32.1 Å²	32.1	10%	0.097	17%	0.167	C	C	.	.	H	α-helix	trans	-69.6	-38.8	-175.9	-175.6	0	0	0	0	112.5	L422 V451 N453	V418-L422 WeakPolarHBondContact O-CD1 3.17Å; V418-L422 WeakPolarHBondContact O-CG 3.22Å; V418-V451 HydrophobicContact CG2-CB 3.87Å; V418-V451 HydrophobicContact CG2-CG1 3.52Å; V418-V451 HydrophobicContact CG2-CG2 4.44Å; V418-N453 HydrophobicContact CG1-CB 4.08Å
419	D	63.5	Low	69.9	Low	128 Å²	128	32.6 Å²	32.6	68%	0.684	17%	0.17	S	C	*	.	H	α-helix	trans	-88.5	-40	-172.7	-64.2	-26.8	0	0	0	112.9
420	G	67.1	Low	70.3	Confident	26 Å²	26	41.8 Å²	41.8	27%	0.268	21%	0.206	S	C	.	.	H	α-helix	trans	-86.3	-37.9	179.6	0	0	0	0	0	113.1	D417 T423	D417-G420 PolarHBondContact OD1-N 2.65Å; G420-T423 PolarHBondContact O-OG1 2.92Å
421	G	68.5	Low	70.6	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.2	-42.1	-171.1	0	0	0	0	0	114.1	D417 T423 Q424 I425	D417-G421 VanDerWaalsContact O-CA 3.26Å; D417-G421 WeakPolarHBondContact O-CA 3.33Å; D417-G421 PolarHBondContact O-N 3.08Å; D417-G421 PolarHBondContact OD2-N 3.23Å; G421-T423 VanDerWaalsContact C-N 3.34Å; G421-T423 PolarHBondContact O-N 3.47Å; G421-Q424 PolarHBondContact O-N 3.2Å; G421-Q424 VanDerWaalsContact O-N 3.16Å; G421-I425 WeakPolarHBondContact O-CG1 3.42Å; G421-I425 PolarHBondContact O-N 2.89Å; G421-I425 VanDerWaalsContact O-N 3.12Å
422	L	71.1	Confident	70.5	Confident	22 Å²	22	47.2 Å²	47.2	12%	0.115	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-41.6	-179.7	-68.5	175.8	0	0	0	112.1	V418 Q424 I425 D426 C444 P457	V418-L422 WeakPolarHBondContact O-CD1 3.17Å; V418-L422 WeakPolarHBondContact O-CG 3.22Å; L422-Q424 PolarHBondContact O-N 2.97Å; L422-I425 PolarHBondContact O-N 3.43Å; L422-I425 VanDerWaalsContact O-N 3.1Å; L422-D426 VanDerWaalsContact O-CG 3.3Å; L422-D426 PolarHBondContact O-N 3.05Å; L422-C444 HydrophobicContact CD2-CB 4.31Å; L422-P457 HydrophobicContact CD1-CB 3.79Å; L422-P457 HydrophobicContact CD1-CG 3.91Å
423	T	76.6	Confident	71	Confident	76 Å²	76	50.2 Å²	50.2	47%	0.466	26%	0.259	S	S	.	.	H	α-helix	trans	-63.7	-27.9	179	71.2	0	0	0	0	113.5	G420 G421	G420-T423 PolarHBondContact O-OG1 2.92Å; G421-T423 VanDerWaalsContact C-N 3.34Å; G421-T423 PolarHBondContact O-N 3.47Å
424	Q	71.6	Confident	71.3	Confident	76 Å²	76	53.3 Å²	53.3	36%	0.355	28%	0.275	S	S	.	.	H	α-helix	trans	-79.6	-36.1	176.1	-61.8	-64.4	-12.2	0	0	111.2	L414 G421 L422 Y428	L414-Q424 HydrophobicContact CD1-CB 3.96Å; G421-Q424 PolarHBondContact O-N 3.2Å; G421-Q424 VanDerWaalsContact O-N 3.16Å; L422-Q424 PolarHBondContact O-N 2.97Å; Q424-Y428 WeakPolarHBondContact O-CD2 3.12Å; Q424-Y428 WeakPolarHBondContact O-CE2 3.47Å
425	I	73.9	Confident	71.6	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-72.4	-36.1	177.9	-62.1	167.7	0	0	0	111.3	G421 L422 K427 Y428 L429 A440 A443 C444 V447	G421-I425 WeakPolarHBondContact O-CG1 3.42Å; G421-I425 PolarHBondContact O-N 2.89Å; G421-I425 VanDerWaalsContact O-N 3.12Å; L422-I425 PolarHBondContact O-N 3.43Å; L422-I425 VanDerWaalsContact O-N 3.1Å; I425-K427 PolarHBondContact O-N 2.82Å; I425-K427 VanDerWaalsContact O-N 3.17Å; I425-Y428 WeakPolarHBondContact O-CA 3.22Å; I425-Y428 PolarHBondContact O-N 3.15Å; I425-L429 PolarHBondContact O-N 3.21Å; I425-L429 VanDerWaalsContact O-N 3.09Å; I425-A440 HydrophobicContact CG2-CB 3.81Å; I425-A440 WeakPolarHBondContact CG2-O 3.38Å; I425-A443 HydrophobicContact CD1-CB 3.85Å; I425-A443 HydrophobicContact CG1-CB 4.28Å; I425-A443 HydrophobicContact CG2-CB 4.3Å; I425-C444 WeakPolarHBondContact CG2-SG 3.41Å; I425-V447 HydrophobicContact CD1-CB 4.46Å; I425-V447 HydrophobicContact CD1-CG2 3.54Å
426	D	75.7	Confident	72.2	Confident	51 Å²	51	55.2 Å²	55.2	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-55.2	-36.6	178.3	-79.1	-21.5	0	0	0	112.6	L422 Y428 L429 Y430	L422-D426 VanDerWaalsContact O-CG 3.3Å; L422-D426 PolarHBondContact O-N 3.05Å; D426-Y428 PolarHBondContact O-N 3.38Å; D426-L429 PolarHBondContact O-N 3.02Å; D426-L429 VanDerWaalsContact O-N 3.15Å; D426-Y430 WeakPolarHBondContact O-CD2 3.26Å; D426-Y430 PolarHBondContact O-N 3.11Å
427	K	75.9	Confident	72.7	Confident	134 Å²	134	56.3 Å²	56.3	58%	0.583	29%	0.287	S	S	*	.	H	α-helix	trans	-59.3	-32.9	176.5	-63.6	172.4	-170.1	166.3	0	112.4	I425	I425-K427 PolarHBondContact O-N 2.82Å; I425-K427 VanDerWaalsContact O-N 3.17Å
428	Y	72.6	Confident	73	Confident	34 Å²	34	54.3 Å²	54.3	13%	0.133	28%	0.277	C	S	.	.	H	α-helix	trans	-87.8	-24.7	179.4	-59.9	-74.3	0	0	0	112.5	L395 L410 Q424 I425 D426 Y430 S431	L395-Y428 HydrophobicContact CD2-CD1 4.12Å; L395-Y428 HydrophobicContact CD2-CE1 4.41Å; L410-Y428 HydrophobicContact CD1-CD1 4.47Å; L410-Y428 HydrophobicContact CD1-CD2 3.51Å; L410-Y428 HydrophobicContact CD1-CE1 4.36Å; L410-Y428 HydrophobicContact CD1-CE2 3.38Å; L410-Y428 HydrophobicContact CD1-CG 4.08Å; Q424-Y428 WeakPolarHBondContact O-CD2 3.12Å; Q424-Y428 WeakPolarHBondContact O-CE2 3.47Å; I425-Y428 WeakPolarHBondContact O-CA 3.22Å; I425-Y428 PolarHBondContact O-N 3.15Å; D426-Y428 PolarHBondContact O-N 3.38Å; Y428-Y430 VanDerWaalsContact C-N 3.28Å; Y428-Y430 PolarHBondContact O-N 3.16Å; Y428-S431 WeakPolarHBondContact O-CB 3.42Å; Y428-S431 PolarHBondContact O-N 3.09Å
429	L	72.1	Confident	73.5	Confident	11 Å²	11	53.5 Å²	53.5	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-28.5	177.7	-169.5	63.9	0	0	0	113	I425 D426 S431 K437 A440 L441	I425-L429 PolarHBondContact O-N 3.21Å; I425-L429 VanDerWaalsContact O-N 3.09Å; D426-L429 PolarHBondContact O-N 3.02Å; D426-L429 VanDerWaalsContact O-N 3.15Å; L429-S431 VanDerWaalsContact C-N 3.33Å; L429-S431 PolarHBondContact O-N 2.74Å; L429-K437 WeakPolarHBondContact O-CE 3.23Å; L429-K437 WeakPolarHBondContact O-CG 3.49Å; L429-A440 HydrophobicContact CB-CB 4.43Å; L429-A440 HydrophobicContact CD1-CB 4.24Å; L429-L441 HydrophobicContact CD1-CD2 3.78Å; L429-L441 HydrophobicContact CD1-CG 3.84Å
430	Y	78.1	Confident	74.1	Confident	193 Å²	193	47.5 Å²	47.5	76%	0.757	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	1	176.8	-63.3	-68.3	0	0	0	114.7	D426 Y428	D426-Y430 WeakPolarHBondContact O-CD2 3.26Å; D426-Y430 PolarHBondContact O-N 3.11Å; Y428-Y430 VanDerWaalsContact C-N 3.28Å; Y428-Y430 PolarHBondContact O-N 3.16Å
431	S	75.1	Confident	74.5	Confident	17 Å²	17	46.3 Å²	46.3	12%	0.119	23%	0.228	C	C	.	.	S	Bend	trans	-65.7	149.2	177.3	-173.4	0	0	0	0	112	Y396 Y428 L429 E433 K437	Y396-S431 PolarHBondContact OH-OG 3.26Å; Y428-S431 WeakPolarHBondContact O-CB 3.42Å; Y428-S431 PolarHBondContact O-N 3.09Å; L429-S431 VanDerWaalsContact C-N 3.33Å; L429-S431 PolarHBondContact O-N 2.74Å; S431-E433 VanDerWaalsContact C-N 3.27Å; S431-E433 PolarHBondContact O-N 2.96Å; S431-K437 WeakPolarHBondContact O-CE 3.3Å
432	S	66.7	Low	74.7	Confident	109 Å²	109	46.4 Å²	46.4	76%	0.762	23%	0.228	S	C	*	.	S	Bend	trans	-74.1	-9	-175.3	54	0	0	0	0	115.3
433	E	78.5	Confident	74.8	Confident	64 Å²	64	45.4 Å²	45.4	30%	0.299	22%	0.223	S	C	.	.			trans	-95.8	126.7	-177.1	-68.9	-174.5	161.3	0	0	113	M403 S431 Y435 I436 K437	M403-E433 WeakPolarHBondContact CE-OE2 3.37Å; S431-E433 VanDerWaalsContact C-N 3.27Å; S431-E433 PolarHBondContact O-N 2.96Å; E433-Y435 VanDerWaalsContact C-N 3.25Å; E433-Y435 PolarHBondContact O-N 2.78Å; E433-I436 HydrophobicContact CB-CB 4.44Å; E433-I436 HydrophobicContact CB-CD1 4.12Å; E433-I436 HydrophobicContact CB-CG1 4.2Å; E433-I436 PolarHBondContact O-N 3.4Å; E433-I436 VanDerWaalsContact O-N 3.14Å; E433-I436 WeakPolarHBondContact OE2-CD1 3.17Å; E433-K437 PolarHBondContact O-N 2.89Å; E433-K437 VanDerWaalsContact O-N 3.12Å
434	D	79.1	Confident	74.7	Confident	68 Å²	68	41.9 Å²	41.9	36%	0.364	20%	0.201	S	C	.	.	H	α-helix	trans	-59.1	-31.7	-179.3	-72.2	8.6	0	0	0	113.5	S438 S470 M473	D434-S438 VanDerWaalsContact O-CB 3.29Å; D434-S438 WeakPolarHBondContact O-CB 3.37Å; D434-S438 PolarHBondContact O-N 3.05Å; D434-S470 PolarHBondContact OD2-OG 3.35Å; D434-M473 HydrophobicContact CB-CG 4.47Å
435	Y	76.6	Confident	74.5	Confident	57 Å²	57	38.2 Å²	38.2	22%	0.224	18%	0.184	C	C	.	.	H	α-helix	trans	-69.9	-39.2	177.2	-72.7	-74.7	0	0	0	112.8	D400 L404 E433 G439 I472	D400-Y435 HydrophobicContact CB-CD2 4.48Å; D400-Y435 HydrophobicContact CB-CE1 4.35Å; D400-Y435 HydrophobicContact CB-CE2 4.06Å; L404-Y435 WeakPolarHBondContact CA-O 3.45Å; L404-Y435 HydrophobicContact CB-CD1 4.43Å; L404-Y435 WeakPolarHBondContact CB-O 3.4Å; L404-Y435 HydrophobicContact CD1-CD1 4.49Å; E433-Y435 VanDerWaalsContact C-N 3.25Å; E433-Y435 PolarHBondContact O-N 2.78Å; Y435-G439 PolarHBondContact O-N 2.85Å; Y435-I472 HydrophobicContact CD1-CD1 4.2Å; Y435-I472 HydrophobicContact CD1-CG2 3.92Å; Y435-I472 HydrophobicContact CE1-CD1 3.44Å; Y435-I472 VanDerWaalsContact CE1-CD1 3.44Å; Y435-I472 HydrophobicContact CE1-CG1 4.16Å; Y435-I472 HydrophobicContact CE1-CG2 4.12Å; Y435-I472 HydrophobicContact CE2-CD1 4.28Å; Y435-I472 VanDerWaalsContact CZ-CD1 3.47Å; Y435-I472 WeakPolarHBondContact OH-CD1 3.5Å
436	I	77.4	Confident	74.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-70	-44	177.6	-64	175.3	0	0	0	109.6	L395 Y396 M403 A407 E433 S438 G439 A440	L395-I436 HydrophobicContact CD2-CD1 3.73Å; L395-I436 HydrophobicContact CD2-CG1 4.03Å; L395-I436 HydrophobicContact CD2-CG2 3.95Å; L395-I436 HydrophobicContact CG-CD1 4.01Å; L395-I436 HydrophobicContact CG-CG1 4.25Å; Y396-I436 HydrophobicContact CD1-CD1 4.41Å; Y396-I436 HydrophobicContact CE1-CD1 3.85Å; M403-I436 HydrophobicContact CB-CG1 4.04Å; A407-I436 HydrophobicContact CB-CG2 4.5Å; E433-I436 HydrophobicContact CB-CB 4.44Å; E433-I436 HydrophobicContact CB-CD1 4.12Å; E433-I436 HydrophobicContact CB-CG1 4.2Å; E433-I436 PolarHBondContact O-N 3.4Å; E433-I436 VanDerWaalsContact O-N 3.14Å; E433-I436 WeakPolarHBondContact OE2-CD1 3.17Å; I436-S438 PolarHBondContact O-N 3.21Å; I436-G439 PolarHBondContact O-N 3.38Å; I436-A440 WeakPolarHBondContact O-CB 3.38Å; I436-A440 PolarHBondContact O-N 3.39Å
437	K	77.6	Confident	74.2	Confident	55 Å²	55	35.7 Å²	35.7	24%	0.239	17%	0.171	C	C	.	.	H	α-helix	trans	-59.6	-46.5	175.7	-67.6	-167.8	-179.3	-171.7	0	112.3	L429 S431 E433 G439 A440 L441 M473	L429-K437 WeakPolarHBondContact O-CE 3.23Å; L429-K437 WeakPolarHBondContact O-CG 3.49Å; S431-K437 WeakPolarHBondContact O-CE 3.3Å; E433-K437 PolarHBondContact O-N 2.89Å; E433-K437 VanDerWaalsContact O-N 3.12Å; K437-G439 VanDerWaalsContact C-N 3.35Å; K437-G439 PolarHBondContact O-N 3.11Å; K437-A440 PolarHBondContact O-N 3.16Å; K437-L441 VanDerWaalsContact O-CG 3.32Å; K437-L441 WeakPolarHBondContact O-CG 3.39Å; K437-L441 PolarHBondContact O-N 3.12Å; K437-M473 HydrophobicContact CB-CE 3.59Å; K437-M473 HydrophobicContact CD-CE 3.36Å; K437-M473 HydrophobicContact CG-CE 4.13Å
438	S	73.4	Confident	73.8	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.007	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-41.9	176.5	176.3	0	0	0	0	112.3	D434 I436 A440 L441 L442 I472	D434-S438 VanDerWaalsContact O-CB 3.29Å; D434-S438 WeakPolarHBondContact O-CB 3.37Å; D434-S438 PolarHBondContact O-N 3.05Å; I436-S438 PolarHBondContact O-N 3.21Å; S438-A440 VanDerWaalsContact C-N 3.35Å; S438-A440 PolarHBondContact O-N 3.24Å; S438-L441 PolarHBondContact O-N 3.31Å; S438-L442 PolarHBondContact O-N 2.9Å; S438-I472 WeakPolarHBondContact CB-O 3.42Å; S438-I472 PolarHBondContact OG-O 3.16Å
439	G	72.6	Confident	73.3	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.9	-33.3	175.4	0	0	0	0	0	113.6	A408 Y435 I436 K437 A443	A408-G439 WeakPolarHBondContact CA-O 3.31Å; A408-G439 PolarHBondContact N-O 3.08Å; Y435-G439 PolarHBondContact O-N 2.85Å; I436-G439 PolarHBondContact O-N 3.38Å; K437-G439 VanDerWaalsContact C-N 3.35Å; K437-G439 PolarHBondContact O-N 3.11Å; G439-A443 WeakPolarHBondContact O-CB 3.42Å; G439-A443 PolarHBondContact O-N 3.34Å
440	A	76.6	Confident	72.6	Confident	2 Å²	2	29.4 Å²	29.4	2%	0.017	15%	0.154	C	C	.	.	H	α-helix	trans	-68.7	-42.3	173	0	0	0	0	0	111.9	I425 L429 I436 K437 S438 L442 A443 C444	I425-A440 HydrophobicContact CG2-CB 3.81Å; I425-A440 WeakPolarHBondContact CG2-O 3.38Å; L429-A440 HydrophobicContact CB-CB 4.43Å; L429-A440 HydrophobicContact CD1-CB 4.24Å; I436-A440 WeakPolarHBondContact O-CB 3.38Å; I436-A440 PolarHBondContact O-N 3.39Å; K437-A440 PolarHBondContact O-N 3.16Å; S438-A440 VanDerWaalsContact C-N 3.35Å; S438-A440 PolarHBondContact O-N 3.24Å; A440-L442 VanDerWaalsContact C-N 3.33Å; A440-L442 PolarHBondContact O-N 3.41Å; A440-A443 WeakPolarHBondContact O-CB 3.49Å; A440-A443 PolarHBondContact O-N 2.9Å; A440-A443 VanDerWaalsContact O-N 3.14Å; A440-C444 PolarHBondContact O-N 3.49Å; A440-C444 PolarHBondContact O-SG 3.08Å; A440-C444 VanDerWaalsContact O-SG 3.36Å
441	L	75.9	Confident	71.6	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-61.8	-41.7	174.5	-68.1	166.9	0	0	0	111.6	L429 K437 S438 A443 C444 G445 L462 Y465	L429-L441 HydrophobicContact CD1-CD2 3.78Å; L429-L441 HydrophobicContact CD1-CG 3.84Å; K437-L441 VanDerWaalsContact O-CG 3.32Å; K437-L441 WeakPolarHBondContact O-CG 3.39Å; K437-L441 PolarHBondContact O-N 3.12Å; S438-L441 PolarHBondContact O-N 3.31Å; L441-A443 VanDerWaalsContact C-N 3.35Å; L441-C444 PolarHBondContact O-N 3.47Å; L441-G445 PolarHBondContact O-N 3.13Å; L441-L462 HydrophobicContact CB-CD2 3.91Å; L441-L462 HydrophobicContact CD2-CD2 3.79Å; L441-L462 HydrophobicContact CG-CD2 4.44Å; L441-Y465 HydrophobicContact CD1-CD1 4.01Å; L441-Y465 HydrophobicContact CD1-CD2 3.94Å; L441-Y465 HydrophobicContact CD1-CG 3.65Å; L441-Y465 HydrophobicContact CD2-CD2 3.46Å; L441-Y465 VanDerWaalsContact CD2-CD2 3.46Å; L441-Y465 HydrophobicContact CD2-CE2 3.75Å; L441-Y465 HydrophobicContact CD2-CG 4.07Å; L441-Y465 HydrophobicContact CG-CD2 4.37Å
442	L	72.6	Confident	70.7	Confident	2 Å²	2	22.8 Å²	22.8	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-40.9	172.8	-179.5	57.6	0	0	0	111.7	A408 S438 A440 C444 G445 I446 F479 L483 Y817	A408-L442 HydrophobicContact CB-CD2 3.99Å; A408-L442 HydrophobicContact CB-CG 4.32Å; S438-L442 PolarHBondContact O-N 2.9Å; A440-L442 VanDerWaalsContact C-N 3.33Å; A440-L442 PolarHBondContact O-N 3.41Å; L442-C444 VanDerWaalsContact C-N 3.33Å; L442-C444 PolarHBondContact O-N 3.06Å; L442-G445 PolarHBondContact O-N 3.1Å; L442-I446 HydrophobicContact CD1-CD1 4.41Å; L442-I446 HydrophobicContact CG-CD1 4.01Å; L442-I446 WeakPolarHBondContact O-CG1 3.44Å; L442-I446 PolarHBondContact O-N 3.04Å; L442-F479 HydrophobicContact CD1-CB 4.27Å; L442-F479 HydrophobicContact CD1-CD1 3.42Å; L442-F479 VanDerWaalsContact CD1-CD1 3.42Å; L442-F479 HydrophobicContact CD1-CE1 4.16Å; L442-F479 HydrophobicContact CD1-CG 4.24Å; L442-F479 HydrophobicContact CD2-CD1 4.18Å; L442-F479 HydrophobicContact CG-CD1 4.46Å; L442-L483 HydrophobicContact CD1-CD1 3.98Å; L442-Y817 HydrophobicContact CD2-CD2 3.99Å
443	A	73.3	Confident	70.1	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60	-40.7	174.9	0	0	0	0	0	112.2	I425 G439 A440 L441 G445 I446 V447	I425-A443 HydrophobicContact CD1-CB 3.85Å; I425-A443 HydrophobicContact CG1-CB 4.28Å; I425-A443 HydrophobicContact CG2-CB 4.3Å; G439-A443 WeakPolarHBondContact O-CB 3.42Å; G439-A443 PolarHBondContact O-N 3.34Å; A440-A443 WeakPolarHBondContact O-CB 3.49Å; A440-A443 PolarHBondContact O-N 2.9Å; A440-A443 VanDerWaalsContact O-N 3.14Å; L441-A443 VanDerWaalsContact C-N 3.35Å; A443-G445 VanDerWaalsContact C-N 3.29Å; A443-G445 PolarHBondContact O-N 3.36Å; A443-I446 PolarHBondContact O-N 3.06Å; A443-V447 WeakPolarHBondContact O-CG2 3.29Å; A443-V447 PolarHBondContact O-N 3.35Å
444	C	72.5	Confident	68.5	Low	2 Å²	2	24.6 Å²	24.6	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-60.2	-39.9	175	-67.3	0	0	0	0	112	L422 I425 A440 L441 L442 N448	L422-C444 HydrophobicContact CD2-CB 4.31Å; I425-C444 WeakPolarHBondContact CG2-SG 3.41Å; A440-C444 PolarHBondContact O-N 3.49Å; A440-C444 PolarHBondContact O-SG 3.08Å; A440-C444 VanDerWaalsContact O-SG 3.36Å; L441-C444 PolarHBondContact O-N 3.47Å; L442-C444 VanDerWaalsContact C-N 3.33Å; L442-C444 PolarHBondContact O-N 3.06Å; C444-N448 PolarHBondContact O-N 3.14Å
445	G	69.1	Low	67.1	Low	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.1	-41.6	174.5	0	0	0	0	0	112.8	L441 L442 A443 N448 S449 G480	L441-G445 PolarHBondContact O-N 3.13Å; L442-G445 PolarHBondContact O-N 3.1Å; A443-G445 VanDerWaalsContact C-N 3.29Å; A443-G445 PolarHBondContact O-N 3.36Å; G445-N448 PolarHBondContact O-N 3.23Å; G445-S449 PolarHBondContact O-N 3.2Å; G445-S449 VanDerWaalsContact O-N 3.13Å; G445-S449 PolarHBondContact O-OG 2.98Å; G445-S449 VanDerWaalsContact O-OG 3.14Å; G445-G480 VanDerWaalsContact CA-O 3.31Å; G445-G480 WeakPolarHBondContact CA-O 3.22Å
446	I	70.8	Confident	66.2	Low	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.4	-44.4	177.8	-70.2	167.8	0	0	0	111.5	G411 M412 L415 L442 A443 N448 S449 L483 Y817 V820	G411-I446 VanDerWaalsContact C-CG2 3.42Å; G411-I446 WeakPolarHBondContact O-CG2 3.45Å; M412-I446 HydrophobicContact CG-CG2 4.11Å; L415-I446 HydrophobicContact CD1-CG2 3.61Å; L415-I446 WeakPolarHBondContact CD1-O 3.38Å; L442-I446 HydrophobicContact CD1-CD1 4.41Å; L442-I446 HydrophobicContact CG-CD1 4.01Å; L442-I446 WeakPolarHBondContact O-CG1 3.44Å; L442-I446 PolarHBondContact O-N 3.04Å; A443-I446 PolarHBondContact O-N 3.06Å; I446-N448 PolarHBondContact O-N 3.21Å; I446-S449 VanDerWaalsContact O-CB 3.29Å; I446-S449 WeakPolarHBondContact O-CB 3.16Å; I446-S449 PolarHBondContact O-N 2.6Å; I446-S449 PolarHBondContact O-OG 3.08Å; I446-L483 HydrophobicContact CG1-CD1 4.29Å; I446-Y817 HydrophobicContact CD1-CD1 4.3Å; I446-Y817 HydrophobicContact CD1-CG 3.97Å; I446-V820 HydrophobicContact CG2-CG1 4.06Å; I446-V820 HydrophobicContact CG2-CG2 4.1Å
447	V	71.8	Confident	65.2	Low	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.5	-38.1	179.7	168.7	0	0	0	0	111.7	L414 W416 D417 I425 A443 S449	L414-V447 HydrophobicContact CB-CG2 4.01Å; W416-V447 PolarHBondContact N-O 3.28Å; D417-V447 WeakPolarHBondContact O-CG1 3.46Å; I425-V447 HydrophobicContact CD1-CB 4.46Å; I425-V447 HydrophobicContact CD1-CG2 3.54Å; A443-V447 WeakPolarHBondContact O-CG2 3.29Å; A443-V447 PolarHBondContact O-N 3.35Å; V447-S449 VanDerWaalsContact C-N 3.35Å
448	N	67.9	Low	64.3	Low	8 Å²	8	23.8 Å²	23.8	4%	0.043	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	5.1	179	-65.8	-19.8	0	0	0	113.3	C444 G445 I446 G450 V451 A458 A484	C444-N448 PolarHBondContact O-N 3.14Å; G445-N448 PolarHBondContact O-N 3.23Å; I446-N448 PolarHBondContact O-N 3.21Å; N448-G450 PolarHBondContact O-N 3.39Å; N448-G450 VanDerWaalsContact O-N 3.08Å; N448-V451 PolarHBondContact O-N 3.09Å; N448-V451 VanDerWaalsContact O-O 3.06Å; N448-A458 HydrophobicContact CB-CB 4.49Å; N448-A484 HydrophobicContact CB-CB 4.5Å
449	S	61.2	Low	63.8	Low	7 Å²	7	25.4 Å²	25.4	5%	0.049	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	112.8	174.8	-72.5	0	0	0	0	109.9	W416 G445 I446 V447 L483	W416-S449 WeakPolarHBondContact CH2-O 3.45Å; W416-S449 WeakPolarHBondContact CZ2-O 3.48Å; G445-S449 PolarHBondContact O-N 3.2Å; G445-S449 VanDerWaalsContact O-N 3.13Å; G445-S449 PolarHBondContact O-OG 2.98Å; G445-S449 VanDerWaalsContact O-OG 3.14Å; I446-S449 VanDerWaalsContact O-CB 3.29Å; I446-S449 WeakPolarHBondContact O-CB 3.16Å; I446-S449 PolarHBondContact O-N 2.6Å; I446-S449 PolarHBondContact O-OG 3.08Å; V447-S449 VanDerWaalsContact C-N 3.35Å; S449-L483 PolarHBondContact OG-O 3.12Å; S449-L483 VanDerWaalsContact OG-O 3.08Å
450	G	57	Low	63.3	Low	32 Å²	32	28.3 Å²	28.3	33%	0.33	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-0.8	177.7	0	0	0	0	0	115.9	N319 W416 N448	N319-G450 WeakPolarHBondContact CB-O 3.02Å; W416-G450 WeakPolarHBondContact CZ3-O 3.45Å; N448-G450 PolarHBondContact O-N 3.39Å; N448-G450 VanDerWaalsContact O-N 3.08Å
451	V	57.3	Low	62.8	Low	9 Å²	9	30.9 Å²	30.9	6%	0.055	18%	0.181	C	C	.	.			trans	-115.8	123.4	168.9	-171.3	0	0	0	0	109	S318 V320 W416 V418 N448	S318-V451 WeakPolarHBondContact O-CA 3.35Å; S318-V451 WeakPolarHBondContact O-CG1 3.47Å; V320-V451 HydrophobicContact CG2-CG1 4.03Å; W416-V451 HydrophobicContact CB-CG2 4.24Å; W416-V451 HydrophobicContact CD2-CG2 4.07Å; W416-V451 HydrophobicContact CE3-CG2 3.19Å; W416-V451 HydrophobicContact CZ3-CG2 3.79Å; V418-V451 HydrophobicContact CG2-CB 3.87Å; V418-V451 HydrophobicContact CG2-CG1 3.52Å; V418-V451 HydrophobicContact CG2-CG2 4.44Å; N448-V451 PolarHBondContact O-N 3.09Å; N448-V451 VanDerWaalsContact O-O 3.06Å
452	R	55.9	Low	62.4	Low	61 Å²	61	30.8 Å²	30.8	23%	0.23	18%	0.18	C	C	.	.			trans	-109	114.2	172.2	-167.5	169	177	-168.6	-12.7	109	S318	S318-R452 WeakPolarHBondContact CB-O 3.16Å; S318-R452 PolarHBondContact O-N 2.97Å; S318-R452 PolarHBondContact OG-O 2.87Å
453	N	54.5	Low	61.9	Low	54 Å²	54	32.7 Å²	32.7	29%	0.289	19%	0.194	S	C	.	.			trans	-97.7	142.7	169.8	-166	-16	0	0	0	108.5	V418 C455 D456	V418-N453 HydrophobicContact CG1-CB 4.08Å; N453-C455 PolarHBondContact O-N 3.39Å; N453-D456 PolarHBondContact O-N 3.34Å
454	E	44.6	Very low	61.7	Low	158 Å²	158	38.5 Å²	38.5	74%	0.738	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-20.4	179.1	-61.6	179.7	165.4	0	0	112.9	D456	E454-D456 VanDerWaalsContact C-N 3.27Å; E454-D456 PolarHBondContact O-N 2.94Å
455	C	50.6	Low	61.4	Low	103 Å²	103	41.3 Å²	41.3	70%	0.696	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-3.7	176.9	-152.7	0	0	0	0	114.3	N453 P457	N453-C455 PolarHBondContact O-N 3.39Å; C455-P457 VanDerWaalsContact C-N 3.3Å
456	D	57.7	Low	61.2	Low	34 Å²	34	41.8 Å²	41.8	18%	0.182	24%	0.238	C	C	.	.			trans	37.6	49.3	177.5	-98.9	-29.6	0	0	0	114.5	N453 E454 A458 L459 A460 Y485 R490	N453-D456 PolarHBondContact O-N 3.34Å; E454-D456 VanDerWaalsContact C-N 3.27Å; E454-D456 PolarHBondContact O-N 2.94Å; D456-A458 PolarHBondContact O-N 3.26Å; D456-A458 VanDerWaalsContact O-N 3.16Å; D456-L459 HydrophobicContact CB-CB 4.32Å; D456-L459 PolarHBondContact O-N 2.93Å; D456-L459 VanDerWaalsContact O-N 3.11Å; D456-A460 PolarHBondContact O-N 3.33Å; D456-A460 VanDerWaalsContact O-N 3.11Å; D456-Y485 PolarHBondContact OD1-OH 3.19Å; D456-R490 IonicContact OD1-CZ 2.64Å; D456-R490 IonicContact OD1-NH1 2.79Å; D456-R490 IonicContact OD1-NH2 3.62Å; D456-R490 PolarHBondContact OD1-NH2 3.33Å; D456-R490 IonicContact OD2-CZ 3.18Å; D456-R490 IonicContact OD2-NH1 3.27Å; D456-R490 PolarHBondContact OD2-NH1 3.35Å; D456-R490 IonicContact OD2-NH2 3Å; D456-R490 PolarHBondContact OD2-NH2 2.9Å; D456-R490 VanDerWaalsContact OD2-NH2 3.16Å
457	P	56.9	Low	60.9	Low	22 Å²	22	47.9 Å²	47.9	14%	0.143	27%	0.27	C	S	.	.	H	α-helix	trans	-63.8	-28	-173.2	25.2	-33.8	0	0	0	112.4	L422 C455 L461	L422-P457 HydrophobicContact CD1-CB 3.79Å; L422-P457 HydrophobicContact CD1-CG 3.91Å; C455-P457 VanDerWaalsContact C-N 3.3Å; P457-L461 VanDerWaalsContact O-CB 3.23Å; P457-L461 WeakPolarHBondContact O-CB 3.45Å; P457-L461 WeakPolarHBondContact O-CD1 3.37Å; P457-L461 VanDerWaalsContact O-CG 3.27Å; P457-L461 WeakPolarHBondContact O-CG 3.47Å; P457-L461 PolarHBondContact O-N 3.39Å
458	A	59	Low	60.9	Low	4 Å²	4	51.3 Å²	51.3	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-65.2	-46.6	174.7	0	0	0	0	0	111.8	N448 D456 L462 A484 Y485	N448-A458 HydrophobicContact CB-CB 4.49Å; D456-A458 PolarHBondContact O-N 3.26Å; D456-A458 VanDerWaalsContact O-N 3.16Å; A458-L462 HydrophobicContact CB-CD1 4.19Å; A458-L462 WeakPolarHBondContact O-CB 3.46Å; A458-L462 WeakPolarHBondContact O-CD1 3.22Å; A458-L462 WeakPolarHBondContact O-CG 3.23Å; A458-L462 PolarHBondContact O-N 3.49Å; A458-A484 HydrophobicContact CB-CB 4.1Å; A458-Y485 HydrophobicContact CB-CE2 4.35Å
459	L	61.1	Low	60.6	Low	34 Å²	34	56.9 Å²	56.9	18%	0.178	32%	0.316	C	S	.	.	H	α-helix	trans	-64.4	-48.7	177.6	-174.1	62.7	0	0	0	110.6	D456 L461 L462 S463 L481 Y485 V493 L496	D456-L459 HydrophobicContact CB-CB 4.32Å; D456-L459 PolarHBondContact O-N 2.93Å; D456-L459 VanDerWaalsContact O-N 3.11Å; L459-L461 PolarHBondContact O-N 2.94Å; L459-L462 PolarHBondContact O-N 3.07Å; L459-S463 WeakPolarHBondContact O-CB 3.47Å; L459-S463 PolarHBondContact O-N 3.23Å; L459-S463 PolarHBondContact O-OG 3.29Å; L459-L481 HydrophobicContact CD1-CD1 4.24Å; L459-Y485 HydrophobicContact CB-CE2 4.31Å; L459-Y485 WeakPolarHBondContact CB-OH 3.45Å; L459-Y485 PolarHBondContact N-OH 3.32Å; L459-V493 HydrophobicContact CD1-CG2 4.26Å; L459-L496 HydrophobicContact CD1-CD1 3.8Å
460	A	62.8	Low	61.2	Low	62 Å²	62	58.1 Å²	58.1	51%	0.512	33%	0.325	S	S	.	.	H	α-helix	trans	-64.5	-38.9	-176.3	0	0	0	0	0	113.4	D456 S463	D456-A460 PolarHBondContact O-N 3.33Å; D456-A460 VanDerWaalsContact O-N 3.11Å; A460-S463 PolarHBondContact O-OG 2.69Å
461	L	65.9	Low	61.8	Low	55 Å²	55	59.6 Å²	59.6	29%	0.288	33%	0.325	S	S	.	.	H	α-helix	trans	-80.4	-36.5	179	-69.3	168.5	0	0	0	112.2	P457 L459 Y465	P457-L461 VanDerWaalsContact O-CB 3.23Å; P457-L461 WeakPolarHBondContact O-CB 3.45Å; P457-L461 WeakPolarHBondContact O-CD1 3.37Å; P457-L461 VanDerWaalsContact O-CG 3.27Å; P457-L461 WeakPolarHBondContact O-CG 3.47Å; P457-L461 PolarHBondContact O-N 3.39Å; L459-L461 PolarHBondContact O-N 2.94Å; L461-Y465 WeakPolarHBondContact O-CD2 3.46Å; L461-Y465 WeakPolarHBondContact O-CE2 3.49Å
462	L	68.3	Low	62.5	Low	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-87.3	-25.9	-173.3	-56.4	170.7	0	0	0	112.5	L441 A458 L459 D464 Y465 V466 A477 L481	L441-L462 HydrophobicContact CB-CD2 3.91Å; L441-L462 HydrophobicContact CD2-CD2 3.79Å; L441-L462 HydrophobicContact CG-CD2 4.44Å; A458-L462 HydrophobicContact CB-CD1 4.19Å; A458-L462 WeakPolarHBondContact O-CB 3.46Å; A458-L462 WeakPolarHBondContact O-CD1 3.22Å; A458-L462 WeakPolarHBondContact O-CG 3.23Å; A458-L462 PolarHBondContact O-N 3.49Å; L459-L462 PolarHBondContact O-N 3.07Å; L462-D464 PolarHBondContact O-N 2.99Å; L462-Y465 PolarHBondContact O-N 3.41Å; L462-V466 PolarHBondContact O-N 3.23Å; L462-V466 VanDerWaalsContact O-N 3.17Å; L462-A477 HydrophobicContact CD2-CB 4.44Å; L462-L481 HydrophobicContact CB-CB 4.41Å; L462-L481 HydrophobicContact CB-CD1 4.15Å; L462-L481 HydrophobicContact CD1-CB 3.85Å
463	S	61.2	Low	63.4	Low	41 Å²	41	58.7 Å²	58.7	29%	0.287	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.1	177.8	60.1	0	0	0	0	113.3	L459 A460 Y465 V466	L459-S463 WeakPolarHBondContact O-CB 3.47Å; L459-S463 PolarHBondContact O-N 3.23Å; L459-S463 PolarHBondContact O-OG 3.29Å; A460-S463 PolarHBondContact O-OG 2.69Å; S463-Y465 VanDerWaalsContact C-N 3.33Å; S463-V466 WeakPolarHBondContact O-CG2 3.44Å
464	D	70.1	Confident	64.3	Low	123 Å²	123	56.6 Å²	56.6	66%	0.658	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-22.8	179.4	-72.5	-7.8	0	0	0	112.5	L462	L462-D464 PolarHBondContact O-N 2.99Å
465	Y	65.4	Low	65.7	Low	60 Å²	60	49.6 Å²	49.6	24%	0.235	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-13.5	-175.5	-63.1	-79.7	0	0	0	114.5	L441 L461 L462 S463 L467 H468 M473	L441-Y465 HydrophobicContact CD1-CD1 4.01Å; L441-Y465 HydrophobicContact CD1-CD2 3.94Å; L441-Y465 HydrophobicContact CD1-CG 3.65Å; L441-Y465 HydrophobicContact CD2-CD2 3.46Å; L441-Y465 VanDerWaalsContact CD2-CD2 3.46Å; L441-Y465 HydrophobicContact CD2-CE2 3.75Å; L441-Y465 HydrophobicContact CD2-CG 4.07Å; L441-Y465 HydrophobicContact CG-CD2 4.37Å; L461-Y465 WeakPolarHBondContact O-CD2 3.46Å; L461-Y465 WeakPolarHBondContact O-CE2 3.49Å; L462-Y465 PolarHBondContact O-N 3.41Å; S463-Y465 VanDerWaalsContact C-N 3.33Å; Y465-L467 PolarHBondContact O-N 3.25Å; Y465-H468 PolarHBondContact O-N 3.33Å; Y465-M473 HydrophobicContact CD1-CE 4.45Å; Y465-M473 HydrophobicContact CE1-CE 4.42Å
466	V	64.4	Low	66.5	Low	10 Å²	10	44.9 Å²	44.9	6%	0.061	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.4	176.7	-72.3	0	0	0	0	113.3	L462 S463 R474 A477 I478 L497	L462-V466 PolarHBondContact O-N 3.23Å; L462-V466 VanDerWaalsContact O-N 3.17Å; S463-V466 WeakPolarHBondContact O-CG2 3.44Å; V466-R474 WeakPolarHBondContact O-CG 3.44Å; V466-A477 HydrophobicContact CG1-CB 4.2Å; V466-I478 HydrophobicContact CG1-CG1 4.06Å; V466-L497 HydrophobicContact CG1-CD2 4.43Å
467	L	64.8	Low	67.3	Low	128 Å²	128	43.2 Å²	43.2	67%	0.67	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.1	7.2	178.7	-149.7	74.1	0	0	0	113.9	Y465	Y465-L467 PolarHBondContact O-N 3.25Å
468	H	71.4	Confident	68.3	Low	73 Å²	73	42.2 Å²	42.2	34%	0.338	23%	0.233	S	C	.	.			trans	-63.7	153.7	-175.4	-163.1	-98.8	0	0	0	112.4	Y465 S470 M473 R474	Y465-H468 PolarHBondContact O-N 3.33Å; H468-S470 VanDerWaalsContact C-N 3.29Å; H468-S470 PolarHBondContact ND1-N 3.16Å; H468-S470 PolarHBondContact O-N 3.2Å; H468-M473 PolarHBondContact ND1-SD 3.01Å; H468-R474 PolarHBondContact O-NE 2.98Å; H468-R474 PolarHBondContact O-NH2 3.49Å
469	N	63	Low	68.9	Low	124 Å²	124	42.1 Å²	42.1	66%	0.663	23%	0.231	S	C	*	.	S	Bend	trans	-72.3	-17.5	-177.1	-74.6	-50.2	0	0	0	113.8
470	S	72.6	Confident	69.4	Low	33 Å²	33	40.5 Å²	40.5	23%	0.231	22%	0.223	C	C	.	.			trans	-90.1	118.2	178.1	-59.6	0	0	0	0	110.9	D434 H468 I472 M473 R474	D434-S470 PolarHBondContact OD2-OG 3.35Å; H468-S470 VanDerWaalsContact C-N 3.29Å; H468-S470 PolarHBondContact ND1-N 3.16Å; H468-S470 PolarHBondContact O-N 3.2Å; S470-I472 VanDerWaalsContact C-N 3.29Å; S470-I472 PolarHBondContact O-N 3.45Å; S470-M473 PolarHBondContact O-N 3.22Å; S470-R474 PolarHBondContact O-N 3.44Å
471	N	70.1	Confident	69.9	Low	63 Å²	63	37.7 Å²	37.7	34%	0.337	20%	0.199	S	C	.	.	H	α-helix	trans	-58.1	-36.4	-176.7	-66.4	8.4	0	0	0	113.5	R474 I475 S507 V510	N471-R474 WeakPolarHBondContact O-CB 3.03Å; N471-R474 PolarHBondContact O-N 3.16Å; N471-I475 VanDerWaalsContact O-CG1 3.28Å; N471-I475 WeakPolarHBondContact O-CG1 3.41Å; N471-I475 PolarHBondContact O-N 2.94Å; N471-S507 WeakPolarHBondContact ND2-CB 3.46Å; N471-S507 PolarHBondContact ND2-OG 2.89Å; N471-V510 HydrophobicContact CB-CG2 4.32Å
472	I	72.3	Confident	70.1	Confident	47 Å²	47	35 Å²	35	24%	0.241	19%	0.185	C	C	.	.	H	α-helix	trans	-70.3	-37.2	-177.9	-64.3	151.4	0	0	0	111.6	L404 Y435 S438 S470 I475 G476	L404-I472 HydrophobicContact CD1-CG2 3.88Å; Y435-I472 HydrophobicContact CD1-CD1 4.2Å; Y435-I472 HydrophobicContact CD1-CG2 3.92Å; Y435-I472 HydrophobicContact CE1-CD1 3.44Å; Y435-I472 VanDerWaalsContact CE1-CD1 3.44Å; Y435-I472 HydrophobicContact CE1-CG1 4.16Å; Y435-I472 HydrophobicContact CE1-CG2 4.12Å; Y435-I472 HydrophobicContact CE2-CD1 4.28Å; Y435-I472 VanDerWaalsContact CZ-CD1 3.47Å; Y435-I472 WeakPolarHBondContact OH-CD1 3.5Å; S438-I472 WeakPolarHBondContact CB-O 3.42Å; S438-I472 PolarHBondContact OG-O 3.16Å; S470-I472 VanDerWaalsContact C-N 3.29Å; S470-I472 PolarHBondContact O-N 3.45Å; I472-I475 PolarHBondContact O-N 3.39Å; I472-G476 PolarHBondContact O-N 3.2Å; I472-G476 VanDerWaalsContact O-N 3.1Å
473	M	74.6	Confident	70.1	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.02	19%	0.186	C	C	.	.	H	α-helix	trans	-68.7	-39.6	176.3	-59.9	178.3	103.5	0	0	110.9	D434 K437 Y465 H468 S470 G476 A477	D434-M473 HydrophobicContact CB-CG 4.47Å; K437-M473 HydrophobicContact CB-CE 3.59Å; K437-M473 HydrophobicContact CD-CE 3.36Å; K437-M473 HydrophobicContact CG-CE 4.13Å; Y465-M473 HydrophobicContact CD1-CE 4.45Å; Y465-M473 HydrophobicContact CE1-CE 4.42Å; H468-M473 PolarHBondContact ND1-SD 3.01Å; S470-M473 PolarHBondContact O-N 3.22Å; M473-G476 PolarHBondContact O-N 3.06Å; M473-A477 WeakPolarHBondContact O-CB 3.45Å; M473-A477 PolarHBondContact O-N 3.47Å
474	R	74.7	Confident	70.5	Confident	10 Å²	10	33.8 Å²	33.8	4%	0.038	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-47.3	174	-176.4	179.7	-59.2	-166	-2.5	111.5	V466 H468 S470 N471 G476 A477 I478 D503 S506 V510	V466-R474 WeakPolarHBondContact O-CG 3.44Å; H468-R474 PolarHBondContact O-NE 2.98Å; H468-R474 PolarHBondContact O-NH2 3.49Å; S470-R474 PolarHBondContact O-N 3.44Å; N471-R474 WeakPolarHBondContact O-CB 3.03Å; N471-R474 PolarHBondContact O-N 3.16Å; R474-G476 PolarHBondContact O-N 3.06Å; R474-A477 PolarHBondContact O-N 3.06Å; R474-I478 HydrophobicContact CG-CD1 3.51Å; R474-I478 HydrophobicContact CG-CG1 4.43Å; R474-I478 WeakPolarHBondContact O-CB 3.35Å; R474-I478 WeakPolarHBondContact O-CD1 3.27Å; R474-I478 WeakPolarHBondContact O-CG1 3.01Å; R474-I478 PolarHBondContact O-N 3.07Å; R474-D503 IonicContact NH1-OD2 2.86Å; R474-D503 PolarHBondContact NH1-OD2 3.27Å; R474-S506 PolarHBondContact NH1-OG 3.41Å; R474-V510 VanDerWaalsContact CD-CG1 3.48Å; R474-V510 HydrophobicContact CG-CG1 3.97Å
475	I	72.6	Confident	70.5	Confident	12 Å²	12	28.4 Å²	28.4	6%	0.062	15%	0.148	C	C	.	.	H	α-helix	trans	-59.6	-47.1	176.7	-68.9	165.9	0	0	0	111.3	N471 I472 A477 F479 E509 V510 V513 Y814	N471-I475 VanDerWaalsContact O-CG1 3.28Å; N471-I475 WeakPolarHBondContact O-CG1 3.41Å; N471-I475 PolarHBondContact O-N 2.94Å; I472-I475 PolarHBondContact O-N 3.39Å; I475-A477 PolarHBondContact O-N 2.96Å; I475-F479 VanDerWaalsContact O-CB 3.27Å; I475-F479 WeakPolarHBondContact O-CB 3.38Å; I475-F479 PolarHBondContact O-N 2.91Å; I475-E509 HydrophobicContact CD1-CB 4.08Å; I475-V510 HydrophobicContact CD1-CG2 4.05Å; I475-V510 HydrophobicContact CG1-CB 4.44Å; I475-V510 HydrophobicContact CG1-CG2 3.69Å; I475-V513 HydrophobicContact CG2-CG1 4.36Å; I475-V513 HydrophobicContact CG2-CG2 4.31Å; I475-Y814 HydrophobicContact CG2-CE1 4.46Å; I475-Y814 HydrophobicContact CG2-CE2 4.01Å
476	G	67.9	Low	70.4	Confident	3 Å²	3	26.2 Å²	26.2	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-63.5	-40.4	-179.5	0	0	0	0	0	113.2	I472 M473 R474 G480	I472-G476 PolarHBondContact O-N 3.2Å; I472-G476 VanDerWaalsContact O-N 3.1Å; M473-G476 PolarHBondContact O-N 3.06Å; R474-G476 PolarHBondContact O-N 3.06Å; G476-G480 PolarHBondContact O-N 3.29Å
477	A	74.9	Confident	70.3	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69.8	-45.3	178.5	0	0	0	0	0	112.7	L462 V466 M473 R474 I475 G480 L481	L462-A477 HydrophobicContact CD2-CB 4.44Å; V466-A477 HydrophobicContact CG1-CB 4.2Å; M473-A477 WeakPolarHBondContact O-CB 3.45Å; M473-A477 PolarHBondContact O-N 3.47Å; R474-A477 PolarHBondContact O-N 3.06Å; I475-A477 PolarHBondContact O-N 2.96Å; A477-G480 PolarHBondContact O-N 3.17Å; A477-L481 WeakPolarHBondContact O-CB 3.42Å; A477-L481 PolarHBondContact O-N 3.15Å
478	I	76.4	Confident	70.1	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-65.6	-44.2	179.8	-67.1	165.8	0	0	0	111	V466 R474 L481 G482 L497 V500 V510 T514 A517	V466-I478 HydrophobicContact CG1-CG1 4.06Å; R474-I478 HydrophobicContact CG-CD1 3.51Å; R474-I478 HydrophobicContact CG-CG1 4.43Å; R474-I478 WeakPolarHBondContact O-CB 3.35Å; R474-I478 WeakPolarHBondContact O-CD1 3.27Å; R474-I478 WeakPolarHBondContact O-CG1 3.01Å; R474-I478 PolarHBondContact O-N 3.07Å; I478-L481 PolarHBondContact O-N 3.47Å; I478-G482 PolarHBondContact O-N 2.94Å; I478-L497 HydrophobicContact CB-CD2 4.33Å; I478-L497 HydrophobicContact CG1-CD2 3.98Å; I478-L497 HydrophobicContact CG2-CD2 3.93Å; I478-V500 HydrophobicContact CD1-CG1 3.62Å; I478-V510 HydrophobicContact CD1-CG1 4.12Å; I478-T514 HydrophobicContact CG2-CG2 4.33Å; I478-A517 HydrophobicContact CG2-CB 3.78Å
479	F	72.7	Confident	69.7	Low	1 Å²	1	21.1 Å²	21.1	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-69.4	-39.8	179.2	-166.1	-122	0	0	0	111.6	L442 I475 L481 G482 L483 V513 L516 Y814	L442-F479 HydrophobicContact CD1-CB 4.27Å; L442-F479 HydrophobicContact CD1-CD1 3.42Å; L442-F479 VanDerWaalsContact CD1-CD1 3.42Å; L442-F479 HydrophobicContact CD1-CE1 4.16Å; L442-F479 HydrophobicContact CD1-CG 4.24Å; L442-F479 HydrophobicContact CD2-CD1 4.18Å; L442-F479 HydrophobicContact CG-CD1 4.46Å; I475-F479 VanDerWaalsContact O-CB 3.27Å; I475-F479 WeakPolarHBondContact O-CB 3.38Å; I475-F479 PolarHBondContact O-N 2.91Å; F479-L481 PolarHBondContact O-N 2.72Å; F479-G482 PolarHBondContact O-N 2.76Å; F479-L483 HydrophobicContact CD1-CD1 3.85Å; F479-L483 HydrophobicContact CE1-CD1 3.55Å; F479-L483 HydrophobicContact CE1-CG 4.35Å; F479-L483 HydrophobicContact CG-CD1 4.44Å; F479-L483 HydrophobicContact CZ-CD1 3.93Å; F479-L483 HydrophobicContact CZ-CD2 4.44Å; F479-L483 HydrophobicContact CZ-CG 4.29Å; F479-L483 WeakPolarHBondContact O-CB 3.31Å; F479-L483 WeakPolarHBondContact O-CG 3.21Å; F479-L483 PolarHBondContact O-N 3.32Å; F479-V513 HydrophobicContact CB-CG1 3.8Å; F479-V513 HydrophobicContact CD2-CG1 3.94Å; F479-V513 HydrophobicContact CG-CG1 4.2Å; F479-L516 HydrophobicContact CE2-CD2 4.24Å; F479-Y814 HydrophobicContact CD1-CD2 4.19Å; F479-Y814 HydrophobicContact CE1-CD2 4.38Å
480	G	71.3	Confident	69.7	Low	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.9	-41.2	174	0	0	0	0	0	112.9	G445 G476 A477 L483 A484	G445-G480 VanDerWaalsContact CA-O 3.31Å; G445-G480 WeakPolarHBondContact CA-O 3.22Å; G476-G480 PolarHBondContact O-N 3.29Å; A477-G480 PolarHBondContact O-N 3.17Å; G480-L483 PolarHBondContact O-N 3.22Å; G480-A484 WeakPolarHBondContact O-CB 3.08Å; G480-A484 PolarHBondContact O-N 3.29Å
481	L	73.9	Confident	69.3	Low	3 Å²	3	21.9 Å²	21.9	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-71.9	-36.3	178.1	-178.6	146	0	0	0	111.9	L459 L462 A477 I478 F479 A484 Y485 V493 L497 I521	L459-L481 HydrophobicContact CD1-CD1 4.24Å; L462-L481 HydrophobicContact CB-CB 4.41Å; L462-L481 HydrophobicContact CB-CD1 4.15Å; L462-L481 HydrophobicContact CD1-CB 3.85Å; A477-L481 WeakPolarHBondContact O-CB 3.42Å; A477-L481 PolarHBondContact O-N 3.15Å; I478-L481 PolarHBondContact O-N 3.47Å; F479-L481 PolarHBondContact O-N 2.72Å; L481-A484 PolarHBondContact O-N 3.29Å; L481-Y485 HydrophobicContact CG-CD2 4.04Å; L481-Y485 HydrophobicContact CG-CE2 4.31Å; L481-Y485 WeakPolarHBondContact O-CD2 3.4Å; L481-Y485 PolarHBondContact O-N 3.06Å; L481-Y485 VanDerWaalsContact O-N 3.11Å; L481-V493 HydrophobicContact CD1-CG1 4.41Å; L481-V493 HydrophobicContact CD2-CG1 3.24Å; L481-V493 HydrophobicContact CG-CG1 3.95Å; L481-L497 HydrophobicContact CD2-CD1 3.57Å; L481-L497 HydrophobicContact CD2-CD2 3.98Å; L481-L497 HydrophobicContact CD2-CG 3.8Å; L481-I521 HydrophobicContact CD2-CD1 4.21Å
482	G	69.8	Low	69.1	Low	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-35.8	170.5	0	0	0	0	0	114	I478 F479 A486	I478-G482 PolarHBondContact O-N 2.94Å; F479-G482 PolarHBondContact O-N 2.76Å; G482-A486 PolarHBondContact O-N 2.92Å
483	L	68.3	Low	69.1	Low	3 Å²	3	21.8 Å²	21.8	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-78.3	-33	176.1	-73.9	171.6	0	0	0	113.4	L442 I446 S449 F479 G480 M520 A821	L442-L483 HydrophobicContact CD1-CD1 3.98Å; I446-L483 HydrophobicContact CG1-CD1 4.29Å; S449-L483 PolarHBondContact OG-O 3.12Å; S449-L483 VanDerWaalsContact OG-O 3.08Å; F479-L483 HydrophobicContact CD1-CD1 3.85Å; F479-L483 HydrophobicContact CE1-CD1 3.55Å; F479-L483 HydrophobicContact CE1-CG 4.35Å; F479-L483 HydrophobicContact CG-CD1 4.44Å; F479-L483 HydrophobicContact CZ-CD1 3.93Å; F479-L483 HydrophobicContact CZ-CD2 4.44Å; F479-L483 HydrophobicContact CZ-CG 4.29Å; F479-L483 WeakPolarHBondContact O-CB 3.31Å; F479-L483 WeakPolarHBondContact O-CG 3.21Å; F479-L483 PolarHBondContact O-N 3.32Å; G480-L483 PolarHBondContact O-N 3.22Å; L483-M520 HydrophobicContact CD2-CE 3.5Å; L483-M520 HydrophobicContact CD2-SD 4.33Å; L483-A821 HydrophobicContact CD2-CB 4.16Å
484	A	69.4	Low	68.9	Low	12 Å²	12	21.9 Å²	21.9	10%	0.099	12%	0.119	C	C	.	.	H	α-helix	trans	-70.8	-39.5	177.7	0	0	0	0	0	111.7	N448 A458 G480 L481	N448-A484 HydrophobicContact CB-CB 4.5Å; A458-A484 HydrophobicContact CB-CB 4.1Å; G480-A484 WeakPolarHBondContact O-CB 3.08Å; G480-A484 PolarHBondContact O-N 3.29Å; L481-A484 PolarHBondContact O-N 3.29Å
485	Y	69.1	Low	68.8	Low	9 Å²	9	24.6 Å²	24.6	4%	0.035	14%	0.14	C	C	.	.	S	Bend	trans	-105.2	22	-176.6	-62.8	-58.7	0	0	0	114.2	D456 A458 L459 L481 G487 S488 R490 V493	D456-Y485 PolarHBondContact OD1-OH 3.19Å; A458-Y485 HydrophobicContact CB-CE2 4.35Å; L459-Y485 HydrophobicContact CB-CE2 4.31Å; L459-Y485 WeakPolarHBondContact CB-OH 3.45Å; L459-Y485 PolarHBondContact N-OH 3.32Å; L481-Y485 HydrophobicContact CG-CD2 4.04Å; L481-Y485 HydrophobicContact CG-CE2 4.31Å; L481-Y485 WeakPolarHBondContact O-CD2 3.4Å; L481-Y485 PolarHBondContact O-N 3.06Å; L481-Y485 VanDerWaalsContact O-N 3.11Å; Y485-G487 PolarHBondContact O-N 3.39Å; Y485-S488 PolarHBondContact O-N 3.23Å; Y485-R490 VanDerWaalsContact CZ-NH2 3.3Å; Y485-R490 PolarHBondContact OH-NH2 3.13Å; Y485-V493 HydrophobicContact CD2-CB 4.47Å; Y485-V493 HydrophobicContact CD2-CG1 3.7Å; Y485-V493 HydrophobicContact CD2-CG2 3.95Å; Y485-V493 HydrophobicContact CE2-CG1 4.38Å; Y485-V493 HydrophobicContact CE2-CG2 4.09Å; Y485-V493 HydrophobicContact CG-CG1 4.29Å; Y485-V493 HydrophobicContact CG-CG2 4.31Å
486	A	64.9	Low	68.8	Low	14 Å²	14	27.7 Å²	27.7	12%	0.116	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	124.1	177.1	0	0	0	0	0	110.7	G482 S488 M520 V789	G482-A486 PolarHBondContact O-N 2.92Å; A486-S488 VanDerWaalsContact C-N 3.32Å; A486-S488 PolarHBondContact O-N 3.02Å; A486-M520 CarbonylContact C-O 3.49Å; A486-M520 WeakPolarHBondContact CA-O 3.34Å; A486-M520 HydrophobicContact CB-CB 4.44Å; A486-V789 HydrophobicContact CB-CG1 3.73Å
487	G	60.9	Low	69	Low	19 Å²	19	27.6 Å²	27.6	20%	0.196	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	-1.1	-179.5	0	0	0	0	0	116.7	Y485 M520	Y485-G487 PolarHBondContact O-N 3.39Å; G487-M520 PolarHBondContact N-O 3.15Å; G487-M520 VanDerWaalsContact N-O 3.1Å
488	S	61.9	Low	68.9	Low	22 Å²	22	29.1 Å²	29.1	15%	0.154	16%	0.162	C	C	.	.			trans	-82.8	-10.6	-179.4	-58.2	0	0	0	0	114.4	Y485 A486 R490	Y485-S488 PolarHBondContact O-N 3.23Å; A486-S488 VanDerWaalsContact C-N 3.32Å; A486-S488 PolarHBondContact O-N 3.02Å; S488-R490 PolarHBondContact O-N 3.46Å
489	N	62.5	Low	68.8	Low	63 Å²	63	33 Å²	33	34%	0.337	19%	0.188	S	C	.	.			trans	47.2	35.5	178.2	-160.4	39.4	0	0	0	115.8	I521 S525 N527	N489-I521 PolarHBondContact N-O 3.34Å; N489-S525 WeakPolarHBondContact ND2-CB 3.28Å; N489-S525 WeakPolarHBondContact OD1-CB 3.38Å; N489-S525 PolarHBondContact OD1-OG 3.08Å; N489-N527 PolarHBondContact OD1-ND2 2.97Å; N489-N527 PolarHBondContact OD1-OD1 3.47Å
490	R	63.6	Low	68.5	Low	34 Å²	34	33.2 Å²	33.2	13%	0.128	19%	0.189	C	C	.	.			trans	-82.6	120.9	-177.5	-124.6	-156.4	-59.5	-171.8	-6.1	111.9	D456 Y485 S488 D492 V493 L494	D456-R490 IonicContact OD1-CZ 2.64Å; D456-R490 IonicContact OD1-NH1 2.79Å; D456-R490 IonicContact OD1-NH2 3.62Å; D456-R490 PolarHBondContact OD1-NH2 3.33Å; D456-R490 IonicContact OD2-CZ 3.18Å; D456-R490 IonicContact OD2-NH1 3.27Å; D456-R490 PolarHBondContact OD2-NH1 3.35Å; D456-R490 IonicContact OD2-NH2 3Å; D456-R490 PolarHBondContact OD2-NH2 2.9Å; D456-R490 VanDerWaalsContact OD2-NH2 3.16Å; Y485-R490 VanDerWaalsContact CZ-NH2 3.3Å; Y485-R490 PolarHBondContact OH-NH2 3.13Å; S488-R490 PolarHBondContact O-N 3.46Å; R490-D492 PolarHBondContact O-N 3.05Å; R490-V493 HydrophobicContact CB-CB 4.41Å; R490-V493 HydrophobicContact CB-CG2 4.09Å; R490-V493 PolarHBondContact O-N 3.18Å; R490-L494 WeakPolarHBondContact O-CG 3.42Å; R490-L494 PolarHBondContact O-N 3.34Å
491	E	63.3	Low	68.2	Low	140 Å²	140	33.6 Å²	33.6	65%	0.654	19%	0.191	S	C	*	.	H	α-helix	trans	-64.4	-36.1	179.8	-69.2	-176.6	176.9	0	0	113	V493 L494 S495	E491-V493 VanDerWaalsContact C-N 3.34Å; E491-V493 PolarHBondContact O-N 3.4Å; E491-L494 PolarHBondContact O-N 2.83Å; E491-S495 WeakPolarHBondContact O-CB 3.45Å; E491-S495 PolarHBondContact O-N 3.38Å; E491-S495 PolarHBondContact O-OG 3.46Å
492	D	66.6	Low	67.7	Low	107 Å²	107	35.8 Å²	35.8	57%	0.572	22%	0.215	S	C	*	.	H	α-helix	trans	-60	-43.9	179.1	-63.1	-26.1	0	0	0	112.1	R490 S495 L496	R490-D492 PolarHBondContact O-N 3.05Å; D492-S495 PolarHBondContact O-N 3.23Å; D492-S495 PolarHBondContact O-OG 2.94Å; D492-L496 WeakPolarHBondContact O-CG 3.33Å; D492-L496 PolarHBondContact O-N 3.41Å
493	V	71	Confident	67.7	Low	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-70.4	-39.6	179.8	-178.3	0	0	0	0	110.4	L459 L481 Y485 R490 E491 L496 L497 I521	L459-V493 HydrophobicContact CD1-CG2 4.26Å; L481-V493 HydrophobicContact CD1-CG1 4.41Å; L481-V493 HydrophobicContact CD2-CG1 3.24Å; L481-V493 HydrophobicContact CG-CG1 3.95Å; Y485-V493 HydrophobicContact CD2-CB 4.47Å; Y485-V493 HydrophobicContact CD2-CG1 3.7Å; Y485-V493 HydrophobicContact CD2-CG2 3.95Å; Y485-V493 HydrophobicContact CE2-CG1 4.38Å; Y485-V493 HydrophobicContact CE2-CG2 4.09Å; Y485-V493 HydrophobicContact CG-CG1 4.29Å; Y485-V493 HydrophobicContact CG-CG2 4.31Å; R490-V493 HydrophobicContact CB-CB 4.41Å; R490-V493 HydrophobicContact CB-CG2 4.09Å; R490-V493 PolarHBondContact O-N 3.18Å; E491-V493 VanDerWaalsContact C-N 3.34Å; E491-V493 PolarHBondContact O-N 3.4Å; V493-L496 PolarHBondContact O-N 2.95Å; V493-L497 PolarHBondContact O-N 3.47Å; V493-I521 HydrophobicContact CG1-CD1 3.99Å
494	L	70.9	Confident	67	Low	7 Å²	7	44.3 Å²	44.3	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-63.7	-46.5	174.4	-71.5	172	0	0	0	110.9	R490 E491 L496 L497 L498 C518 I521 A522 N527 V530	R490-L494 WeakPolarHBondContact O-CG 3.42Å; R490-L494 PolarHBondContact O-N 3.34Å; E491-L494 PolarHBondContact O-N 2.83Å; L494-L496 PolarHBondContact O-N 3.03Å; L494-L497 PolarHBondContact O-N 3.39Å; L494-L498 WeakPolarHBondContact O-CG 3.26Å; L494-L498 PolarHBondContact O-N 3.13Å; L494-C518 HydrophobicContact CD2-CB 4.36Å; L494-I521 HydrophobicContact CD1-CG2 4.38Å; L494-I521 HydrophobicContact CD2-CB 3.97Å; L494-I521 HydrophobicContact CD2-CD1 4.39Å; L494-I521 HydrophobicContact CD2-CG2 3.72Å; L494-I521 HydrophobicContact CG-CG2 3.88Å; L494-A522 HydrophobicContact CD1-CB 4.43Å; L494-N527 WeakPolarHBondContact CD1-ND2 3.31Å; L494-V530 HydrophobicContact CD1-CG2 4.08Å; L494-V530 HydrophobicContact CD2-CG2 3.82Å; L494-V530 HydrophobicContact CG-CG2 4.46Å
495	S	71.7	Confident	66.4	Low	67 Å²	67	50.8 Å²	50.8	47%	0.469	30%	0.296	S	S	.	.	H	α-helix	trans	-62	-25.1	180	76.8	0	0	0	0	113.8	E491 D492 P499	E491-S495 WeakPolarHBondContact O-CB 3.45Å; E491-S495 PolarHBondContact O-N 3.38Å; E491-S495 PolarHBondContact O-OG 3.46Å; D492-S495 PolarHBondContact O-N 3.23Å; D492-S495 PolarHBondContact O-OG 2.94Å; S495-P499 WeakPolarHBondContact O-CD 3.27Å; S495-P499 WeakPolarHBondContact O-CG 3.07Å
496	L	72.9	Confident	66	Low	76 Å²	76	51.2 Å²	51.2	40%	0.398	30%	0.3	S	S	.	.	H	α-helix	trans	-77.6	-32	172.2	-71.8	169	0	0	0	112.9	L459 D492 V493 L494	L459-L496 HydrophobicContact CD1-CD1 3.8Å; D492-L496 WeakPolarHBondContact O-CG 3.33Å; D492-L496 PolarHBondContact O-N 3.41Å; V493-L496 PolarHBondContact O-N 2.95Å; L494-L496 PolarHBondContact O-N 3.03Å
497	L	73.1	Confident	66	Low	1 Å²	1	52.1 Å²	52.1	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-85.5	-31.9	179.9	-70.8	-177.5	0	0	0	113.6	V466 I478 L481 V493 L494 V500 M501 T514 A517 I521	V466-L497 HydrophobicContact CG1-CD2 4.43Å; I478-L497 HydrophobicContact CB-CD2 4.33Å; I478-L497 HydrophobicContact CG1-CD2 3.98Å; I478-L497 HydrophobicContact CG2-CD2 3.93Å; L481-L497 HydrophobicContact CD2-CD1 3.57Å; L481-L497 HydrophobicContact CD2-CD2 3.98Å; L481-L497 HydrophobicContact CD2-CG 3.8Å; V493-L497 PolarHBondContact O-N 3.47Å; L494-L497 PolarHBondContact O-N 3.39Å; L497-V500 WeakPolarHBondContact O-CB 3.46Å; L497-V500 PolarHBondContact O-N 3.32Å; L497-M501 PolarHBondContact O-N 3.26Å; L497-T514 HydrophobicContact CB-CG2 4.45Å; L497-A517 HydrophobicContact CD1-CB 4.42Å; L497-I521 HydrophobicContact CD1-CD1 3.48Å; L497-I521 VanDerWaalsContact CD1-CD1 3.48Å
498	L	73.1	Confident	66.1	Low	32 Å²	32	52.3 Å²	52.3	17%	0.168	30%	0.302	C	S	.	.	H	α-helix	trans	-58	-42.8	-178.2	-68	168.9	0	0	0	113.1	L494 V500 M501 D529 V530 T533	L494-L498 WeakPolarHBondContact O-CG 3.26Å; L494-L498 PolarHBondContact O-N 3.13Å; L498-V500 PolarHBondContact O-N 3.2Å; L498-M501 VanDerWaalsContact O-CB 3.25Å; L498-M501 WeakPolarHBondContact O-CB 3.44Å; L498-M501 PolarHBondContact O-N 3.13Å; L498-M501 VanDerWaalsContact O-N 3.13Å; L498-D529 HydrophobicContact CD1-CB 4.38Å; L498-V530 HydrophobicContact CD2-CG2 4.45Å; L498-T533 HydrophobicContact CD2-CG2 3.86Å; L498-T533 WeakPolarHBondContact CD2-OG1 3.37Å
499	P	73.2	Confident	66.1	Low	84 Å²	84	53.7 Å²	53.7	55%	0.545	31%	0.306	S	S	.	.	H	α-helix	trans	-63.2	-26.9	175.2	-24.1	34.8	0	0	0	113.8	S495 M501 G502 D503	S495-P499 WeakPolarHBondContact O-CD 3.27Å; S495-P499 WeakPolarHBondContact O-CG 3.07Å; P499-M501 VanDerWaalsContact C-N 3.25Å; P499-M501 PolarHBondContact O-N 2.87Å; P499-G502 PolarHBondContact O-N 2.93Å; P499-D503 PolarHBondContact O-N 2.97Å
500	V	67.8	Low	66.6	Low	4 Å²	4	50.7 Å²	50.7	2%	0.024	29%	0.29	C	S	.	.	H	α-helix	trans	-71.4	-24.8	178.4	-172.8	0	0	0	0	111.6	I478 L497 L498 V510 T514	I478-V500 HydrophobicContact CD1-CG1 3.62Å; L497-V500 WeakPolarHBondContact O-CB 3.46Å; L497-V500 PolarHBondContact O-N 3.32Å; L498-V500 PolarHBondContact O-N 3.2Å; V500-V510 HydrophobicContact CG1-CG1 4.18Å; V500-T514 HydrophobicContact CB-CG2 4.37Å
501	M	64.9	Low	66.9	Low	8 Å²	8	49.4 Å²	49.4	4%	0.039	29%	0.286	C	S	.	.	H	α-helix	trans	-69.6	-42.6	173.5	-167.8	75	71.7	0	0	112.3	L497 L498 P499 D503 V511 T514 A515 I534 T537 L554	L497-M501 PolarHBondContact O-N 3.26Å; L498-M501 VanDerWaalsContact O-CB 3.25Å; L498-M501 WeakPolarHBondContact O-CB 3.44Å; L498-M501 PolarHBondContact O-N 3.13Å; L498-M501 VanDerWaalsContact O-N 3.13Å; P499-M501 VanDerWaalsContact C-N 3.25Å; P499-M501 PolarHBondContact O-N 2.87Å; M501-D503 VanDerWaalsContact C-N 3.35Å; M501-V511 HydrophobicContact CG-CG1 4.46Å; M501-V511 HydrophobicContact SD-CG1 3.48Å; M501-V511 WeakPolarHBondContact SD-CG1 3.34Å; M501-T514 HydrophobicContact CE-CG2 4.02Å; M501-A515 VanDerWaalsContact CE-CA 3.49Å; M501-A515 HydrophobicContact CE-CB 3.74Å; M501-A515 HydrophobicContact SD-CB 4.34Å; M501-I534 HydrophobicContact CE-CG1 4.37Å; M501-T537 HydrophobicContact CG-CG2 3.98Å; M501-T537 WeakPolarHBondContact CG-OG1 3.27Å; M501-T537 HydrophobicContact SD-CG2 4.06Å; M501-L554 HydrophobicContact SD-CD2 4.33Å
502	G	63	Low	67	Low	50 Å²	50	42.8 Å²	42.8	52%	0.515	26%	0.255	S	S	.	.	H	α-helix	trans	-82.2	-6.4	-176.6	0	0	0	0	0	114.9	P499 S504	P499-G502 PolarHBondContact O-N 2.93Å; G502-S504 PolarHBondContact O-N 3.34Å
503	D	69.8	Low	67.1	Low	55 Å²	55	37.8 Å²	37.8	29%	0.294	23%	0.228	S	C	.	.			trans	-74.3	111.3	180	-176.2	10.3	0	0	0	111.5	R474 P499 M501 K505 S506	R474-D503 IonicContact NH1-OD2 2.86Å; R474-D503 PolarHBondContact NH1-OD2 3.27Å; P499-D503 PolarHBondContact O-N 2.97Å; M501-D503 VanDerWaalsContact C-N 3.35Å; D503-K505 PolarHBondContact O-N 3.09Å; D503-K505 VanDerWaalsContact OD1-CB 3.24Å; D503-K505 WeakPolarHBondContact OD1-CB 3.26Å; D503-K505 PolarHBondContact OD1-N 3.39Å; D503-S506 WeakPolarHBondContact O-CB 3.08Å; D503-S506 PolarHBondContact O-N 3.43Å; D503-S506 VanDerWaalsContact O-N 3.11Å
504	S	53.8	Low	67.2	Low	127 Å²	127	37.8 Å²	37.8	89%	0.888	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-8.1	177.2	-41.3	0	0	0	0	114.1	G502	G502-S504 PolarHBondContact O-N 3.34Å
505	K	57.3	Low	67.1	Low	148 Å²	148	37.4 Å²	37.4	64%	0.643	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.9	175.9	-154.4	177.2	-179.7	-171.6	0	113	D503	D503-K505 PolarHBondContact O-N 3.09Å; D503-K505 VanDerWaalsContact OD1-CB 3.24Å; D503-K505 WeakPolarHBondContact OD1-CB 3.26Å; D503-K505 PolarHBondContact OD1-N 3.39Å
506	S	60.2	Low	67.1	Low	18 Å²	18	34.3 Å²	34.3	13%	0.126	20%	0.204	C	C	.	.	S	Bend	trans	-79.3	135.4	-178.1	-69.4	0	0	0	0	112.5	R474 D503	R474-S506 PolarHBondContact NH1-OG 3.41Å; D503-S506 WeakPolarHBondContact O-CB 3.08Å; D503-S506 PolarHBondContact O-N 3.43Å; D503-S506 VanDerWaalsContact O-N 3.11Å
507	S	65.6	Low	67	Low	33 Å²	33	30.7 Å²	30.7	23%	0.231	19%	0.186	C	C	.	.			trans	-68.3	152.2	170.3	49.8	0	0	0	0	111.2	N471 E509 V510 V511	N471-S507 WeakPolarHBondContact ND2-CB 3.46Å; N471-S507 PolarHBondContact ND2-OG 2.89Å; S507-E509 PolarHBondContact O-N 3.33Å; S507-V510 WeakPolarHBondContact O-CA 3.41Å; S507-V510 WeakPolarHBondContact O-CB 3.48Å; S507-V510 PolarHBondContact O-N 3.17Å; S507-V510 WeakPolarHBondContact OG-CG2 3.41Å; S507-V511 PolarHBondContact O-N 3.2Å
508	M	61.6	Low	66.9	Low	23 Å²	23	30.7 Å²	30.7	11%	0.113	19%	0.186	C	C	.	.	H	α-helix	trans	-50.3	-34.3	178.8	-174.4	60	70	0	0	113.5	V511 G512 K541 E545 D548 Y550	M508-V511 PolarHBondContact O-N 3.11Å; M508-G512 PolarHBondContact O-N 3.05Å; M508-K541 HydrophobicContact CE-CD 4.15Å; M508-K541 PolarHBondContact SD-NZ 3.04Å; M508-E545 HydrophobicContact CE-CB 3.34Å; M508-E545 HydrophobicContact CE-CG 3.48Å; M508-E545 VanDerWaalsContact CE-CG 3.48Å; M508-E545 WeakPolarHBondContact CE-OE2 3.37Å; M508-D548 HydrophobicContact CG-CB 4.21Å; M508-Y550 HydrophobicContact CG-CG 4.38Å
509	E	63.3	Low	66.7	Low	51 Å²	51	29.2 Å²	29.2	24%	0.238	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-39	175.8	-38.6	-166.4	147.8	0	0	112.9	I475 S507 V513 Y550	I475-E509 HydrophobicContact CD1-CB 4.08Å; S507-E509 PolarHBondContact O-N 3.33Å; E509-V513 WeakPolarHBondContact O-CB 3.47Å; E509-V513 VanDerWaalsContact O-CG2 3.24Å; E509-V513 WeakPolarHBondContact O-CG2 3.49Å; E509-V513 PolarHBondContact O-N 3.45Å; E509-V513 VanDerWaalsContact O-N 3.09Å; E509-Y550 HydrophobicContact CB-CD1 3.88Å; E509-Y550 HydrophobicContact CB-CE1 3.6Å; E509-Y550 HydrophobicContact CB-CE2 4.33Å; E509-Y550 HydrophobicContact CB-CG 4.38Å; E509-Y550 HydrophobicContact CG-CD1 4.05Å; E509-Y550 HydrophobicContact CG-CD2 3.89Å; E509-Y550 HydrophobicContact CG-CE1 3.64Å; E509-Y550 HydrophobicContact CG-CE2 3.45Å; E509-Y550 VanDerWaalsContact CG-CE2 3.45Å; E509-Y550 HydrophobicContact CG-CG 4.18Å; E509-Y550 VanDerWaalsContact OE1-CE2 3.23Å; E509-Y550 WeakPolarHBondContact OE1-CE2 3.3Å; E509-Y550 PolarHBondContact OE1-OH 3.26Å
510	V	71.5	Confident	66.4	Low	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-49.8	177.1	173.4	0	0	0	0	108.9	N471 R474 I475 I478 V500 S507 G512 V513 T514	N471-V510 HydrophobicContact CB-CG2 4.32Å; R474-V510 VanDerWaalsContact CD-CG1 3.48Å; R474-V510 HydrophobicContact CG-CG1 3.97Å; I475-V510 HydrophobicContact CD1-CG2 4.05Å; I475-V510 HydrophobicContact CG1-CB 4.44Å; I475-V510 HydrophobicContact CG1-CG2 3.69Å; I478-V510 HydrophobicContact CD1-CG1 4.12Å; V500-V510 HydrophobicContact CG1-CG1 4.18Å; S507-V510 WeakPolarHBondContact O-CA 3.41Å; S507-V510 WeakPolarHBondContact O-CB 3.48Å; S507-V510 PolarHBondContact O-N 3.17Å; S507-V510 WeakPolarHBondContact OG-CG2 3.41Å; V510-G512 VanDerWaalsContact C-N 3.32Å; V510-G512 PolarHBondContact O-N 3.21Å; V510-V513 PolarHBondContact O-N 3.43Å; V510-T514 WeakPolarHBondContact O-CB 3.27Å; V510-T514 PolarHBondContact O-N 3.25Å; V510-T514 PolarHBondContact O-OG1 3.45Å
511	V	69.7	Low	66.5	Low	7 Å²	7	25.1 Å²	25.1	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-62.2	-40.8	-177.2	-175	0	0	0	0	111.3	M501 S507 M508 A515 T537 K541 L554	M501-V511 HydrophobicContact CG-CG1 4.46Å; M501-V511 HydrophobicContact SD-CG1 3.48Å; M501-V511 WeakPolarHBondContact SD-CG1 3.34Å; S507-V511 PolarHBondContact O-N 3.2Å; M508-V511 PolarHBondContact O-N 3.11Å; V511-A515 PolarHBondContact O-N 2.89Å; V511-T537 HydrophobicContact CG1-CG2 3.83Å; V511-K541 VanDerWaalsContact CG1-NZ 3.27Å; V511-L554 HydrophobicContact CG1-CD2 4.47Å
512	G	66.1	Low	66.4	Low	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.1	-43.3	175.1	0	0	0	0	0	113.1	M508 V510 A515 L516 W553	M508-G512 PolarHBondContact O-N 3.05Å; V510-G512 VanDerWaalsContact C-N 3.32Å; V510-G512 PolarHBondContact O-N 3.21Å; G512-A515 PolarHBondContact O-N 3.46Å; G512-L516 PolarHBondContact O-N 2.97Å; G512-L516 VanDerWaalsContact O-N 3.12Å; G512-W553 VanDerWaalsContact O-CB 3.32Å; G512-W553 WeakPolarHBondContact O-CB 3.48Å
513	V	69.8	Low	66.5	Low	2 Å²	2	22.9 Å²	22.9	1%	0.012	13%	0.128	C	C	.	.	H	α-helix	trans	-70.9	-35.2	178.2	174.5	0	0	0	0	111.7	I475 F479 E509 V510 L516 A517 W553 Y814	I475-V513 HydrophobicContact CG2-CG1 4.36Å; I475-V513 HydrophobicContact CG2-CG2 4.31Å; F479-V513 HydrophobicContact CB-CG1 3.8Å; F479-V513 HydrophobicContact CD2-CG1 3.94Å; F479-V513 HydrophobicContact CG-CG1 4.2Å; E509-V513 WeakPolarHBondContact O-CB 3.47Å; E509-V513 VanDerWaalsContact O-CG2 3.24Å; E509-V513 WeakPolarHBondContact O-CG2 3.49Å; E509-V513 PolarHBondContact O-N 3.45Å; E509-V513 VanDerWaalsContact O-N 3.09Å; V510-V513 PolarHBondContact O-N 3.43Å; V513-L516 WeakPolarHBondContact O-CB 3.35Å; V513-L516 PolarHBondContact O-N 2.78Å; V513-A517 WeakPolarHBondContact O-CB 3.23Å; V513-A517 PolarHBondContact O-N 3.42Å; V513-W553 HydrophobicContact CG2-CE3 3.87Å; V513-W553 HydrophobicContact CG2-CZ3 3.52Å; V513-Y814 HydrophobicContact CG2-CE2 4.2Å
514	T	71.6	Confident	66	Low	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-42.1	173.5	-52.3	0	0	0	0	111.1	I478 L497 V500 M501 V510 L516 A517 C518	I478-T514 HydrophobicContact CG2-CG2 4.33Å; L497-T514 HydrophobicContact CB-CG2 4.45Å; V500-T514 HydrophobicContact CB-CG2 4.37Å; M501-T514 HydrophobicContact CE-CG2 4.02Å; V510-T514 WeakPolarHBondContact O-CB 3.27Å; V510-T514 PolarHBondContact O-N 3.25Å; V510-T514 PolarHBondContact O-OG1 3.45Å; T514-L516 VanDerWaalsContact C-N 3.3Å; T514-L516 PolarHBondContact O-N 3.38Å; T514-A517 PolarHBondContact O-N 2.97Å; T514-C518 WeakPolarHBondContact O-CB 3.07Å; T514-C518 PolarHBondContact O-N 3.45Å; T514-C518 PolarHBondContact O-SG 3.09Å
515	A	70.3	Confident	66.4	Low	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-40.3	175.5	0	0	0	0	0	112.3	M501 V511 G512 G519 L554 G557	M501-A515 VanDerWaalsContact CE-CA 3.49Å; M501-A515 HydrophobicContact CE-CB 3.74Å; M501-A515 HydrophobicContact SD-CB 4.34Å; V511-A515 PolarHBondContact O-N 2.89Å; G512-A515 PolarHBondContact O-N 3.46Å; A515-G519 PolarHBondContact O-N 2.9Å; A515-L554 HydrophobicContact CB-CD2 3.75Å; A515-L554 HydrophobicContact CB-CG 4.15Å; A515-G557 WeakPolarHBondContact O-CA 3.31Å
516	L	70.8	Confident	66.5	Low	2 Å²	2	10.4 Å²	10.4	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-65	-47.3	175.1	-167.4	63.4	0	0	0	111.8	F479 G512 V513 T514 G519 M520 L556 L560 T796	F479-L516 HydrophobicContact CE2-CD2 4.24Å; G512-L516 PolarHBondContact O-N 2.97Å; G512-L516 VanDerWaalsContact O-N 3.12Å; V513-L516 WeakPolarHBondContact O-CB 3.35Å; V513-L516 PolarHBondContact O-N 2.78Å; T514-L516 VanDerWaalsContact C-N 3.3Å; T514-L516 PolarHBondContact O-N 3.38Å; L516-G519 CarbonylContact O-C 3.38Å; L516-G519 PolarHBondContact O-N 3.1Å; L516-M520 HydrophobicContact CG-SD 4.44Å; L516-M520 VanDerWaalsContact O-CG 3.28Å; L516-M520 WeakPolarHBondContact O-CG 3.49Å; L516-M520 PolarHBondContact O-N 3.36Å; L516-L556 HydrophobicContact CD1-CD2 3.7Å; L516-L556 HydrophobicContact CD1-CG 4.02Å; L516-L560 HydrophobicContact CD1-CD1 4.06Å; L516-T796 HydrophobicContact CD1-CG2 3.48Å; L516-T796 VanDerWaalsContact CD1-CG2 3.48Å; L516-T796 HydrophobicContact CD2-CG2 3.94Å; L516-T796 HydrophobicContact CG-CG2 3.85Å
517	A	71.8	Confident	66.6	Low	0 Å²	0	11 Å²	11	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62	-46.3	179.1	0	0	0	0	0	111.9	I478 L497 V513 T514 G519 M520 I521	I478-A517 HydrophobicContact CG2-CB 3.78Å; L497-A517 HydrophobicContact CD1-CB 4.42Å; V513-A517 WeakPolarHBondContact O-CB 3.23Å; V513-A517 PolarHBondContact O-N 3.42Å; T514-A517 PolarHBondContact O-N 2.97Å; A517-G519 VanDerWaalsContact C-N 3.32Å; A517-G519 PolarHBondContact O-N 3.2Å; A517-M520 PolarHBondContact O-N 2.72Å; A517-I521 WeakPolarHBondContact O-CD1 3.38Å; A517-I521 VanDerWaalsContact O-CG1 3.3Å; A517-I521 WeakPolarHBondContact O-CG1 3.44Å; A517-I521 PolarHBondContact O-N 2.83Å
518	C	71	Confident	66.6	Low	1 Å²	1	11.9 Å²	11.9	1%	0.007	8%	0.079	C	C	.	.	H	α-helix	trans	-61.7	-41.2	174	-66.2	0	0	0	0	111.6	L494 T514 M520 I521 A522 V530	L494-C518 HydrophobicContact CD2-CB 4.36Å; T514-C518 WeakPolarHBondContact O-CB 3.07Å; T514-C518 PolarHBondContact O-N 3.45Å; T514-C518 PolarHBondContact O-SG 3.09Å; C518-M520 VanDerWaalsContact C-N 3.32Å; C518-M520 PolarHBondContact O-N 3.17Å; C518-I521 PolarHBondContact O-N 2.87Å; C518-A522 PolarHBondContact O-N 3.23Å; C518-V530 HydrophobicContact CB-CG1 4.04Å
519	G	67.7	Low	66.8	Low	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.2	-34.6	174.8	0	0	0	0	0	113.3	A515 L516 A517 V523 G557	A515-G519 PolarHBondContact O-N 2.9Å; L516-G519 CarbonylContact O-C 3.38Å; L516-G519 PolarHBondContact O-N 3.1Å; A517-G519 VanDerWaalsContact C-N 3.32Å; A517-G519 PolarHBondContact O-N 3.2Å; G519-V523 WeakPolarHBondContact O-CG2 3.49Å; G519-V523 PolarHBondContact O-N 2.93Å; G519-G557 WeakPolarHBondContact CA-O 3.27Å
520	M	67.8	Low	67	Low	2 Å²	2	13.7 Å²	13.7	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-74.4	-30.6	175.2	-70.8	-177.7	75.1	0	0	113.1	L483 A486 G487 L516 A517 C518 V523 L560 A792 T796 A821	L483-M520 HydrophobicContact CD2-CE 3.5Å; L483-M520 HydrophobicContact CD2-SD 4.33Å; A486-M520 CarbonylContact C-O 3.49Å; A486-M520 WeakPolarHBondContact CA-O 3.34Å; A486-M520 HydrophobicContact CB-CB 4.44Å; G487-M520 PolarHBondContact N-O 3.15Å; G487-M520 VanDerWaalsContact N-O 3.1Å; L516-M520 HydrophobicContact CG-SD 4.44Å; L516-M520 VanDerWaalsContact O-CG 3.28Å; L516-M520 WeakPolarHBondContact O-CG 3.49Å; L516-M520 PolarHBondContact O-N 3.36Å; A517-M520 PolarHBondContact O-N 2.72Å; C518-M520 VanDerWaalsContact C-N 3.32Å; C518-M520 PolarHBondContact O-N 3.17Å; M520-V523 VanDerWaalsContact O-CG2 3.31Å; M520-V523 WeakPolarHBondContact O-CG2 3.04Å; M520-L560 HydrophobicContact CG-CD1 4.29Å; M520-A792 HydrophobicContact CG-CB 4.47Å; M520-T796 HydrophobicContact CE-CG2 4.5Å; M520-T796 HydrophobicContact CG-CG2 4.26Å; M520-T796 HydrophobicContact SD-CG2 3.77Å; M520-A821 HydrophobicContact CE-CB 3.94Å
521	I	70.2	Confident	66.8	Low	1 Å²	1	14.4 Å²	14.4	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-73.9	-41.1	176.1	-66.6	161.2	0	0	0	110.9	L481 N489 V493 L494 L497 A517 C518	L481-I521 HydrophobicContact CD2-CD1 4.21Å; N489-I521 PolarHBondContact N-O 3.34Å; V493-I521 HydrophobicContact CG1-CD1 3.99Å; L494-I521 HydrophobicContact CD1-CG2 4.38Å; L494-I521 HydrophobicContact CD2-CB 3.97Å; L494-I521 HydrophobicContact CD2-CD1 4.39Å; L494-I521 HydrophobicContact CD2-CG2 3.72Å; L494-I521 HydrophobicContact CG-CG2 3.88Å; L497-I521 HydrophobicContact CD1-CD1 3.48Å; L497-I521 VanDerWaalsContact CD1-CD1 3.48Å; A517-I521 WeakPolarHBondContact O-CD1 3.38Å; A517-I521 VanDerWaalsContact O-CG1 3.3Å; A517-I521 WeakPolarHBondContact O-CG1 3.44Å; A517-I521 PolarHBondContact O-N 2.83Å; C518-I521 PolarHBondContact O-N 2.87Å
522	A	63	Low	66.9	Low	0 Å²	0	17 Å²	17	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	29.7	-175.1	0	0	0	0	0	113.5	L494 C518 G524 S525 N527 V530 N561	L494-A522 HydrophobicContact CD1-CB 4.43Å; C518-A522 PolarHBondContact O-N 3.23Å; A522-G524 PolarHBondContact O-N 3.41Å; A522-G524 VanDerWaalsContact O-N 3.17Å; A522-S525 PolarHBondContact O-N 3.18Å; A522-S525 PolarHBondContact O-OG 3.47Å; A522-N527 HydrophobicContact CB-CB 4.49Å; A522-V530 HydrophobicContact CB-CG2 4.25Å; A522-N561 WeakPolarHBondContact O-CA 3.36Å; A522-N561 PolarHBondContact O-OD1 3.37Å
523	V	64.8	Low	67.1	Low	10 Å²	10	18.4 Å²	18.4	6%	0.061	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	123.6	-177.5	-169.6	0	0	0	0	109.8	G519 M520 S525 L560 L563 Q788 A792	G519-V523 WeakPolarHBondContact O-CG2 3.49Å; G519-V523 PolarHBondContact O-N 2.93Å; M520-V523 VanDerWaalsContact O-CG2 3.31Å; M520-V523 WeakPolarHBondContact O-CG2 3.04Å; V523-S525 PolarHBondContact O-N 3.11Å; V523-S525 VanDerWaalsContact O-N 3.12Å; V523-L560 WeakPolarHBondContact CA-O 3.29Å; V523-L560 WeakPolarHBondContact CG1-O 3.22Å; V523-L563 HydrophobicContact CG1-CB 3.93Å; V523-L563 HydrophobicContact CG1-CD2 3.58Å; V523-L563 HydrophobicContact CG1-CG 4.4Å; V523-Q788 HydrophobicContact CB-CB 4.41Å; V523-Q788 HydrophobicContact CG1-CB 3.62Å; V523-Q788 HydrophobicContact CG1-CG 4.49Å; V523-Q788 PolarHBondContact O-OE1 2.95Å; V523-A792 HydrophobicContact CG2-CB 3.81Å
524	G	59.5	Low	67.1	Low	1 Å²	1	18.3 Å²	18.3	1%	0.01	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	-2.1	173.6	0	0	0	0	0	116.5	N269 A522 L560 N561 L563 K565	N269-G524 PolarHBondContact ND2-O 3.29Å; A522-G524 PolarHBondContact O-N 3.41Å; A522-G524 VanDerWaalsContact O-N 3.17Å; G524-L560 PolarHBondContact N-O 2.87Å; G524-N561 PolarHBondContact N-O 3.38Å; G524-L563 WeakPolarHBondContact CA-O 3.14Å; G524-K565 WeakPolarHBondContact O-CD 3.46Å; G524-K565 WeakPolarHBondContact O-CE 3.38Å; G524-K565 PolarHBondContact O-NZ 3.34Å
525	S	61.3	Low	67.1	Low	28 Å²	28	19.1 Å²	19.1	20%	0.196	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-20.1	175.4	57	0	0	0	0	112.8	N489 A522 V523	N489-S525 WeakPolarHBondContact ND2-CB 3.28Å; N489-S525 WeakPolarHBondContact OD1-CB 3.38Å; N489-S525 PolarHBondContact OD1-OG 3.08Å; A522-S525 PolarHBondContact O-N 3.18Å; A522-S525 PolarHBondContact O-OG 3.47Å; V523-S525 PolarHBondContact O-N 3.11Å; V523-S525 VanDerWaalsContact O-N 3.12Å
526	C	58.8	Low	67.1	Low	39 Å²	39	24 Å²	24	26%	0.264	15%	0.15	S	C	.	.			trans	57.7	47.3	-177.7	-171.2	0	0	0	0	112	G528 N561 H562 K565	C526-G528 PolarHBondContact O-N 3.5Å; C526-N561 PolarHBondContact N-O 3.26Å; C526-N561 PolarHBondContact N-OD1 3.25Å; C526-H562 PolarHBondContact SG-CE1 3.17Å; C526-H562 PolarHBondContact SG-ND1 3.24Å; C526-H562 VanDerWaalsContact SG-ND1 3.42Å; C526-K565 HydrophobicContact CB-CD 4.23Å
527	N	63.4	Low	66.9	Low	31 Å²	31	24.5 Å²	24.5	17%	0.166	15%	0.153	C	C	.	.			trans	-68.6	120.3	178.2	-77.4	-5.2	0	0	0	110.9	N489 L494 A522 D529 V530 T531 N561	N489-N527 PolarHBondContact OD1-ND2 2.97Å; N489-N527 PolarHBondContact OD1-OD1 3.47Å; L494-N527 WeakPolarHBondContact CD1-ND2 3.31Å; A522-N527 HydrophobicContact CB-CB 4.49Å; N527-D529 VanDerWaalsContact C-N 3.26Å; N527-D529 PolarHBondContact O-N 3.45Å; N527-V530 HydrophobicContact CB-CB 4.48Å; N527-V530 HydrophobicContact CB-CG2 4.24Å; N527-V530 PolarHBondContact O-N 3.34Å; N527-T531 PolarHBondContact O-N 3.12Å; N527-T531 PolarHBondContact O-OG1 3.42Å; N527-N561 PolarHBondContact N-OD1 3.49Å; N527-N561 PolarHBondContact O-ND2 3.18Å
528	G	64.3	Low	66.7	Low	51 Å²	51	24.8 Å²	24.8	53%	0.526	15%	0.154	S	C	.	.	H	α-helix	trans	-62.9	-28.9	-179.2	0	0	0	0	0	114.1	C526 S532	C526-G528 PolarHBondContact O-N 3.5Å; G528-S532 VanDerWaalsContact O-CB 3.24Å; G528-S532 WeakPolarHBondContact O-CB 3.3Å; G528-S532 PolarHBondContact O-N 3.03Å; G528-S532 PolarHBondContact O-OG 3.18Å
529	D	67.3	Low	66.4	Low	112 Å²	112	29.6 Å²	29.6	60%	0.599	18%	0.178	S	C	*	.	H	α-helix	trans	-72.5	-38.7	180	-65.8	-20.7	0	0	0	112.2	L498 N527 S532 T533	L498-D529 HydrophobicContact CD1-CB 4.38Å; N527-D529 VanDerWaalsContact C-N 3.26Å; N527-D529 PolarHBondContact O-N 3.45Å; D529-S532 WeakPolarHBondContact CA-OG 3.44Å; D529-S532 PolarHBondContact O-OG 3.45Å; D529-S532 VanDerWaalsContact O-OG 3.05Å; D529-T533 WeakPolarHBondContact O-CB 3.35Å; D529-T533 VanDerWaalsContact O-CG2 3.32Å; D529-T533 WeakPolarHBondContact O-CG2 3.39Å; D529-T533 PolarHBondContact O-N 2.9Å; D529-T533 VanDerWaalsContact O-N 3.09Å; D529-T533 PolarHBondContact O-OG1 3.38Å
530	V	67.4	Low	66.4	Low	1 Å²	1	35.5 Å²	35.5	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-70.4	-41.8	175.6	178.3	0	0	0	0	110.2	L494 L498 C518 A522 N527 T533 I534	L494-V530 HydrophobicContact CD1-CG2 4.08Å; L494-V530 HydrophobicContact CD2-CG2 3.82Å; L494-V530 HydrophobicContact CG-CG2 4.46Å; L498-V530 HydrophobicContact CD2-CG2 4.45Å; C518-V530 HydrophobicContact CB-CG1 4.04Å; A522-V530 HydrophobicContact CB-CG2 4.25Å; N527-V530 HydrophobicContact CB-CB 4.48Å; N527-V530 HydrophobicContact CB-CG2 4.24Å; N527-V530 PolarHBondContact O-N 3.34Å; V530-T533 PolarHBondContact O-OG1 3.23Å; V530-T533 VanDerWaalsContact O-OG1 3.06Å; V530-I534 HydrophobicContact CG1-CD1 3.66Å; V530-I534 HydrophobicContact CG1-CG1 4.42Å; V530-I534 WeakPolarHBondContact O-CB 3.35Å; V530-I534 WeakPolarHBondContact O-CD1 3.21Å; V530-I534 WeakPolarHBondContact O-CG1 3.34Å; V530-I534 PolarHBondContact O-N 3.31Å
531	T	67.3	Low	66.2	Low	15 Å²	15	37.1 Å²	37.1	9%	0.092	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-46.3	177	-60.9	0	0	0	0	111.7	N527 T533 I534 V535 L558 N561 H562 T572	N527-T531 PolarHBondContact O-N 3.12Å; N527-T531 PolarHBondContact O-OG1 3.42Å; T531-T533 PolarHBondContact O-N 2.94Å; T531-I534 PolarHBondContact O-N 3.41Å; T531-V535 HydrophobicContact CG2-CG2 4.34Å; T531-V535 WeakPolarHBondContact O-CB 3.37Å; T531-V535 WeakPolarHBondContact O-CG2 3.38Å; T531-V535 PolarHBondContact O-N 3.43Å; T531-L558 HydrophobicContact CG2-CD1 4.39Å; T531-N561 PolarHBondContact OG1-ND2 3.35Å; T531-H562 WeakPolarHBondContact CG2-NE2 3.15Å; T531-H562 PolarHBondContact OG1-CE1 3.19Å; T531-H562 PolarHBondContact OG1-NE2 3Å; T531-T572 HydrophobicContact CG2-CG2 3.8Å
532	S	70.8	Confident	65.3	Low	61 Å²	61	42.7 Å²	42.7	43%	0.427	24%	0.242	S	C	.	.	H	α-helix	trans	-64	-42.5	-179.5	57.7	0	0	0	0	112.4	G528 D529 V535 Q536	G528-S532 VanDerWaalsContact O-CB 3.24Å; G528-S532 WeakPolarHBondContact O-CB 3.3Å; G528-S532 PolarHBondContact O-N 3.03Å; G528-S532 PolarHBondContact O-OG 3.18Å; D529-S532 WeakPolarHBondContact CA-OG 3.44Å; D529-S532 PolarHBondContact O-OG 3.45Å; D529-S532 VanDerWaalsContact O-OG 3.05Å; S532-V535 PolarHBondContact O-N 3.35Å; S532-Q536 VanDerWaalsContact O-CB 3.25Å; S532-Q536 WeakPolarHBondContact O-CB 3.4Å; S532-Q536 PolarHBondContact O-N 3.27Å
533	T	70.5	Confident	64.6	Low	30 Å²	30	49.1 Å²	49.1	18%	0.184	27%	0.272	C	S	.	.	H	α-helix	trans	-68.3	-39.2	177.4	50.9	0	0	0	0	112.8	L498 D529 V530 T531 T537	L498-T533 HydrophobicContact CD2-CG2 3.86Å; L498-T533 WeakPolarHBondContact CD2-OG1 3.37Å; D529-T533 WeakPolarHBondContact O-CB 3.35Å; D529-T533 VanDerWaalsContact O-CG2 3.32Å; D529-T533 WeakPolarHBondContact O-CG2 3.39Å; D529-T533 PolarHBondContact O-N 2.9Å; D529-T533 VanDerWaalsContact O-N 3.09Å; D529-T533 PolarHBondContact O-OG1 3.38Å; V530-T533 PolarHBondContact O-OG1 3.23Å; V530-T533 VanDerWaalsContact O-OG1 3.06Å; T531-T533 PolarHBondContact O-N 2.94Å; T533-T537 VanDerWaalsContact O-CB 3.31Å; T533-T537 WeakPolarHBondContact O-CB 3.06Å; T533-T537 PolarHBondContact O-N 3.31Å; T533-T537 PolarHBondContact O-OG1 3.45Å
534	I	69.7	Low	63.9	Low	0 Å²	0	56 Å²	56	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.9	-43.9	174.5	-65.4	168	0	0	0	110.4	M501 V530 T531 T537 I538 L554 L558	M501-I534 HydrophobicContact CE-CG1 4.37Å; V530-I534 HydrophobicContact CG1-CD1 3.66Å; V530-I534 HydrophobicContact CG1-CG1 4.42Å; V530-I534 WeakPolarHBondContact O-CB 3.35Å; V530-I534 WeakPolarHBondContact O-CD1 3.21Å; V530-I534 WeakPolarHBondContact O-CG1 3.34Å; V530-I534 PolarHBondContact O-N 3.31Å; T531-I534 PolarHBondContact O-N 3.41Å; I534-T537 WeakPolarHBondContact O-CB 2.83Å; I534-T537 PolarHBondContact O-N 3.18Å; I534-I538 HydrophobicContact CG2-CD1 3.88Å; I534-I538 HydrophobicContact CG2-CG1 4.47Å; I534-I538 VanDerWaalsContact O-CG1 3.27Å; I534-I538 WeakPolarHBondContact O-CG1 3.46Å; I534-I538 PolarHBondContact O-N 3.47Å; I534-L554 HydrophobicContact CG2-CD2 4.36Å; I534-L558 HydrophobicContact CB-CD1 4.27Å; I534-L558 HydrophobicContact CG2-CB 4.12Å; I534-L558 HydrophobicContact CG2-CD1 3.87Å
535	V	71.2	Confident	63.6	Low	17 Å²	17	60.1 Å²	60.1	10%	0.103	32%	0.323	C	S	.	.	H	α-helix	trans	-63.3	-44.3	177.2	171.5	0	0	0	0	111.2	T531 S532 T537 I538 M539 L558 A575	T531-V535 HydrophobicContact CG2-CG2 4.34Å; T531-V535 WeakPolarHBondContact O-CB 3.37Å; T531-V535 WeakPolarHBondContact O-CG2 3.38Å; T531-V535 PolarHBondContact O-N 3.43Å; S532-V535 PolarHBondContact O-N 3.35Å; V535-T537 VanDerWaalsContact C-N 3.31Å; V535-T537 PolarHBondContact O-N 3.42Å; V535-I538 PolarHBondContact O-N 3.03Å; V535-I538 VanDerWaalsContact O-N 3.15Å; V535-M539 HydrophobicContact CG1-CE 3.65Å; V535-M539 HydrophobicContact CG1-SD 4.2Å; V535-M539 WeakPolarHBondContact O-CG 3.31Å; V535-M539 PolarHBondContact O-N 3.11Å; V535-L558 HydrophobicContact CG2-CD1 3.7Å; V535-A575 HydrophobicContact CG1-CB 4.43Å
536	Q	70.9	Confident	63.2	Low	103 Å²	103	60.2 Å²	60.2	48%	0.481	32%	0.321	S	S	.	.	H	α-helix	trans	-59.1	-43.9	174.7	-178.2	176.8	-4.2	0	0	111.1	S532 I538 M539 E540	S532-Q536 VanDerWaalsContact O-CB 3.25Å; S532-Q536 WeakPolarHBondContact O-CB 3.4Å; S532-Q536 PolarHBondContact O-N 3.27Å; Q536-I538 VanDerWaalsContact C-N 3.28Å; Q536-I538 PolarHBondContact O-N 3.43Å; Q536-M539 PolarHBondContact O-N 3.22Å; Q536-M539 VanDerWaalsContact O-N 3.1Å; Q536-E540 HydrophobicContact CG-CG 4.37Å; Q536-E540 VanDerWaalsContact CG-OE1 3.3Å; Q536-E540 WeakPolarHBondContact CG-OE1 3.3Å; Q536-E540 PolarHBondContact NE2-OE1 3.26Å; Q536-E540 WeakPolarHBondContact O-CG 3.43Å; Q536-E540 PolarHBondContact O-N 3.29Å
537	T	67.3	Low	62.7	Low	11 Å²	11	64.9 Å²	64.9	7%	0.067	34%	0.337	C	S	.	.	H	α-helix	trans	-63.8	-33.4	177.1	-56.1	0	0	0	0	112.2	M501 V511 T533 I534 V535 K541 L554	M501-T537 HydrophobicContact CG-CG2 3.98Å; M501-T537 WeakPolarHBondContact CG-OG1 3.27Å; M501-T537 HydrophobicContact SD-CG2 4.06Å; V511-T537 HydrophobicContact CG1-CG2 3.83Å; T533-T537 VanDerWaalsContact O-CB 3.31Å; T533-T537 WeakPolarHBondContact O-CB 3.06Å; T533-T537 PolarHBondContact O-N 3.31Å; T533-T537 PolarHBondContact O-OG1 3.45Å; I534-T537 WeakPolarHBondContact O-CB 2.83Å; I534-T537 PolarHBondContact O-N 3.18Å; V535-T537 VanDerWaalsContact C-N 3.31Å; V535-T537 PolarHBondContact O-N 3.42Å; T537-K541 HydrophobicContact CG2-CD 4.32Å; T537-K541 WeakPolarHBondContact O-CD 3.31Å; T537-K541 VanDerWaalsContact O-CG 3.24Å; T537-K541 WeakPolarHBondContact O-CG 3.23Å; T537-L554 HydrophobicContact CG2-CD2 4.01Å
538	I	67.4	Low	62.4	Low	6 Å²	6	67.3 Å²	67.3	3%	0.031	35%	0.35	C	S	.	.	H	α-helix	trans	-71.1	-37.4	174	-68.1	165.2	0	0	0	110.8	I534 V535 Q536 L554 L576 V579 F583	I534-I538 HydrophobicContact CG2-CD1 3.88Å; I534-I538 HydrophobicContact CG2-CG1 4.47Å; I534-I538 VanDerWaalsContact O-CG1 3.27Å; I534-I538 WeakPolarHBondContact O-CG1 3.46Å; I534-I538 PolarHBondContact O-N 3.47Å; V535-I538 PolarHBondContact O-N 3.03Å; V535-I538 VanDerWaalsContact O-N 3.15Å; Q536-I538 VanDerWaalsContact C-N 3.28Å; Q536-I538 PolarHBondContact O-N 3.43Å; I538-L554 HydrophobicContact CG1-CB 4.49Å; I538-L576 HydrophobicContact CD1-CD2 4.22Å; I538-V579 HydrophobicContact CG2-CG1 4.13Å; I538-V579 HydrophobicContact CG2-CG2 3.65Å; I538-F583 HydrophobicContact CG2-CE1 4.26Å
539	M	65	Low	61.9	Low	102 Å²	102	66.2 Å²	66.2	50%	0.502	33%	0.333	S	S	.	.	H	α-helix	trans	-73.4	-29.7	179.3	-70.7	-178.2	177.9	0	0	113.6	V535 Q536 V578	V535-M539 HydrophobicContact CG1-CE 3.65Å; V535-M539 HydrophobicContact CG1-SD 4.2Å; V535-M539 WeakPolarHBondContact O-CG 3.31Å; V535-M539 PolarHBondContact O-N 3.11Å; Q536-M539 PolarHBondContact O-N 3.22Å; Q536-M539 VanDerWaalsContact O-N 3.1Å; M539-V578 HydrophobicContact CE-CB 4.34Å
540	E	67.4	Low	61.4	Low	124 Å²	124	62.2 Å²	62.2	58%	0.579	31%	0.309	S	S	*	.	H	α-helix	trans	-81.2	-12.4	-179.6	-72.4	176.2	-176.3	0	0	113.7	Q536	Q536-E540 HydrophobicContact CG-CG 4.37Å; Q536-E540 VanDerWaalsContact CG-OE1 3.3Å; Q536-E540 WeakPolarHBondContact CG-OE1 3.3Å; Q536-E540 PolarHBondContact NE2-OE1 3.26Å; Q536-E540 WeakPolarHBondContact O-CG 3.43Å; Q536-E540 PolarHBondContact O-N 3.29Å
541	K	62.9	Low	61	Low	36 Å²	36	62.3 Å²	62.3	16%	0.157	31%	0.31	C	S	.	.			trans	-93.7	145.5	-173.1	-77.1	-178.7	179	-147.1	0	114.8	M508 V511 T537 L554	M508-K541 HydrophobicContact CE-CD 4.15Å; M508-K541 PolarHBondContact SD-NZ 3.04Å; V511-K541 VanDerWaalsContact CG1-NZ 3.27Å; T537-K541 HydrophobicContact CG2-CD 4.32Å; T537-K541 WeakPolarHBondContact O-CD 3.31Å; T537-K541 VanDerWaalsContact O-CG 3.24Å; T537-K541 WeakPolarHBondContact O-CG 3.23Å; K541-L554 HydrophobicContact CD-CD1 4.38Å
542	N	50.4	Low	60.8	Low	119 Å²	119	63.5 Å²	63.5	64%	0.636	31%	0.313	S	S	*	.			trans	-85.5	156.2	-176.3	-80.2	-35.9	0	0	0	114.3	Q544 E545 L546	N542-Q544 PolarHBondContact O-N 3.16Å; N542-E545 WeakPolarHBondContact O-CB 3.26Å; N542-E545 PolarHBondContact O-N 3.32Å; N542-L546 PolarHBondContact O-N 3.43Å; N542-L546 VanDerWaalsContact O-N 3.17Å
543	E	49.8	Very low	60.6	Low	135 Å²	135	60.7 Å²	60.7	63%	0.631	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-19.4	-179.5	-70.6	-178.1	171.6	0	0	116.4	K547	E543-K547 WeakPolarHBondContact O-CE 3.27Å; E543-K547 WeakPolarHBondContact O-CG 3.26Å
544	Q	50.1	Low	60.5	Low	155 Å²	155	59.4 Å²	59.4	72%	0.724	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-29.8	177	-65.8	-176	7.4	0	0	112.5	N542 K547	N542-Q544 PolarHBondContact O-N 3.16Å; Q544-K547 PolarHBondContact O-N 2.91Å
545	E	51.7	Low	60.3	Low	87 Å²	87	59.5 Å²	59.5	41%	0.407	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-28.3	177.5	-90.2	-179.8	-154.7	0	0	111.8	M508 N542 K547 D548	M508-E545 HydrophobicContact CE-CB 3.34Å; M508-E545 HydrophobicContact CE-CG 3.48Å; M508-E545 VanDerWaalsContact CE-CG 3.48Å; M508-E545 WeakPolarHBondContact CE-OE2 3.37Å; N542-E545 WeakPolarHBondContact O-CB 3.26Å; N542-E545 PolarHBondContact O-N 3.32Å; E545-K547 PolarHBondContact O-N 3.22Å; E545-D548 PolarHBondContact O-N 3.43Å
546	L	53.1	Low	60.1	Low	30 Å²	30	58.7 Å²	58.7	16%	0.157	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.9	169.8	-75.2	154.7	0	0	0	113.5	N542 F583	N542-L546 PolarHBondContact O-N 3.43Å; N542-L546 VanDerWaalsContact O-N 3.17Å; L546-F583 HydrophobicContact CD2-CB 4.21Å; L546-F583 HydrophobicContact CD2-CD1 3.44Å; L546-F583 VanDerWaalsContact CD2-CD1 3.44Å; L546-F583 HydrophobicContact CD2-CD2 3.98Å; L546-F583 HydrophobicContact CD2-CE1 3.6Å; L546-F583 HydrophobicContact CD2-CE2 4.13Å; L546-F583 HydrophobicContact CD2-CG 3.62Å; L546-F583 HydrophobicContact CD2-CZ 3.92Å
547	K	49.1	Very low	59.9	Low	137 Å²	137	53.8 Å²	53.8	60%	0.596	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-10.9	177.5	-67.6	177.3	-175.9	-175.7	0	113.5	E543 Q544 E545	E543-K547 WeakPolarHBondContact O-CE 3.27Å; E543-K547 WeakPolarHBondContact O-CG 3.26Å; Q544-K547 PolarHBondContact O-N 2.91Å; E545-K547 PolarHBondContact O-N 3.22Å
548	D	56.2	Low	60	Low	82 Å²	82	53.3 Å²	53.3	44%	0.439	26%	0.255	S	S	.	.	S	Bend	trans	-76.1	143.5	177.4	-82.1	-25	0	0	0	111	M508 E545 Y550 A551	M508-D548 HydrophobicContact CG-CB 4.21Å; E545-D548 PolarHBondContact O-N 3.43Å; D548-Y550 PolarHBondContact O-N 3.28Å; D548-A551 VanDerWaalsContact O-CB 3.25Å; D548-A551 WeakPolarHBondContact O-CB 3.5Å; D548-A551 PolarHBondContact O-N 3.24Å
549	T	55.2	Low	59.9	Low	27 Å²	27	53 Å²	53	17%	0.166	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-56	-26	-178.1	-36.5	0	0	0	0	113.2	A551 R552 D803 I807	T549-A551 VanDerWaalsContact C-N 3.32Å; T549-A551 PolarHBondContact O-N 2.97Å; T549-R552 WeakPolarHBondContact O-CB 3Å; T549-R552 PolarHBondContact O-N 3.47Å; T549-D803 HydrophobicContact CG2-CB 3.97Å; T549-D803 WeakPolarHBondContact CG2-OD2 3.41Å; T549-I807 HydrophobicContact CG2-CD1 3.36Å; T549-I807 HydrophobicContact CG2-CG1 3.53Å
550	Y	55.5	Low	60	Low	29 Å²	29	48.1 Å²	48.1	11%	0.114	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-69.5	-22.1	176.4	-67.1	-72.4	0	0	0	114.2	M508 E509 D548 R552 W553 S812	M508-Y550 HydrophobicContact CG-CG 4.38Å; E509-Y550 HydrophobicContact CB-CD1 3.88Å; E509-Y550 HydrophobicContact CB-CE1 3.6Å; E509-Y550 HydrophobicContact CB-CE2 4.33Å; E509-Y550 HydrophobicContact CB-CG 4.38Å; E509-Y550 HydrophobicContact CG-CD1 4.05Å; E509-Y550 HydrophobicContact CG-CD2 3.89Å; E509-Y550 HydrophobicContact CG-CE1 3.64Å; E509-Y550 HydrophobicContact CG-CE2 3.45Å; E509-Y550 VanDerWaalsContact CG-CE2 3.45Å; E509-Y550 HydrophobicContact CG-CG 4.18Å; E509-Y550 VanDerWaalsContact OE1-CE2 3.23Å; E509-Y550 WeakPolarHBondContact OE1-CE2 3.3Å; E509-Y550 PolarHBondContact OE1-OH 3.26Å; D548-Y550 PolarHBondContact O-N 3.28Å; Y550-R552 PolarHBondContact O-N 3.44Å; Y550-W553 AromaticContact CD1-CE3 3.67Å; Y550-W553 HydrophobicContact CD1-CE3 3.67Å; Y550-W553 AromaticContact CD1-CH2 3.43Å; Y550-W553 HydrophobicContact CD1-CH2 3.43Å; Y550-W553 VanDerWaalsContact CD1-CH2 3.43Å; Y550-W553 HydrophobicContact CD1-CZ2 4.32Å; Y550-W553 AromaticContact CD1-CZ3 3.09Å; Y550-W553 HydrophobicContact CD1-CZ3 3.09Å; Y550-W553 HydrophobicContact CE1-CE3 4.29Å; Y550-W553 AromaticContact CE1-CH2 3.25Å; Y550-W553 HydrophobicContact CE1-CH2 3.25Å; Y550-W553 HydrophobicContact CE1-CZ2 4.32Å; Y550-W553 AromaticContact CE1-CZ3 3.28Å; Y550-W553 HydrophobicContact CE1-CZ3 3.28Å; Y550-W553 HydrophobicContact CG-CZ3 4.36Å; Y550-W553 PolarHBondContact O-N 3.02Å; Y550-S812 PolarHBondContact OH-OG 3.42Å
551	A	59.3	Low	60.2	Low	3 Å²	3	42.2 Å²	42.2	3%	0.025	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-65.1	-18.5	174.8	0	0	0	0	0	112.3	D548 T549 W553 L554 P555 F583	D548-A551 VanDerWaalsContact O-CB 3.25Å; D548-A551 WeakPolarHBondContact O-CB 3.5Å; D548-A551 PolarHBondContact O-N 3.24Å; T549-A551 VanDerWaalsContact C-N 3.32Å; T549-A551 PolarHBondContact O-N 2.97Å; A551-W553 VanDerWaalsContact C-N 3.31Å; A551-W553 PolarHBondContact O-N 3.23Å; A551-L554 PolarHBondContact O-N 3.35Å; A551-P555 WeakPolarHBondContact O-CD 3.44Å; A551-F583 HydrophobicContact CB-CE2 3.76Å; A551-F583 HydrophobicContact CB-CZ 4.28Å; A551-F583 VanDerWaalsContact O-CE2 3.31Å; A551-F583 WeakPolarHBondContact O-CE2 3.49Å; A551-F583 VanDerWaalsContact O-CZ 3.31Å; A551-F583 WeakPolarHBondContact O-CZ 3.44Å
552	R	63.5	Low	60.3	Low	39 Å²	39	40.7 Å²	40.7	15%	0.147	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-71.5	-22.1	177.2	-61.1	179.2	-175.2	174.2	3.2	113.6	T549 Y550 F586	T549-R552 WeakPolarHBondContact O-CB 3Å; T549-R552 PolarHBondContact O-N 3.47Å; Y550-R552 PolarHBondContact O-N 3.44Å; R552-F586 HydrophobicContact CB-CE1 4.12Å; R552-F586 HydrophobicContact CB-CZ 4.11Å; R552-F586 HydrophobicContact CG-CE1 4.07Å; R552-F586 HydrophobicContact CG-CZ 3.91Å
553	W	67	Low	61.1	Low	2 Å²	2	35 Å²	35	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-80.6	-20.7	179.1	-61.3	-29.4	0	0	0	113.3	G512 V513 Y550 A551 L556 G557 S800 I807 I815	G512-W553 VanDerWaalsContact O-CB 3.32Å; G512-W553 WeakPolarHBondContact O-CB 3.48Å; V513-W553 HydrophobicContact CG2-CE3 3.87Å; V513-W553 HydrophobicContact CG2-CZ3 3.52Å; Y550-W553 AromaticContact CD1-CE3 3.67Å; Y550-W553 HydrophobicContact CD1-CE3 3.67Å; Y550-W553 AromaticContact CD1-CH2 3.43Å; Y550-W553 HydrophobicContact CD1-CH2 3.43Å; Y550-W553 VanDerWaalsContact CD1-CH2 3.43Å; Y550-W553 HydrophobicContact CD1-CZ2 4.32Å; Y550-W553 AromaticContact CD1-CZ3 3.09Å; Y550-W553 HydrophobicContact CD1-CZ3 3.09Å; Y550-W553 HydrophobicContact CE1-CE3 4.29Å; Y550-W553 AromaticContact CE1-CH2 3.25Å; Y550-W553 HydrophobicContact CE1-CH2 3.25Å; Y550-W553 HydrophobicContact CE1-CZ2 4.32Å; Y550-W553 AromaticContact CE1-CZ3 3.28Å; Y550-W553 HydrophobicContact CE1-CZ3 3.28Å; Y550-W553 HydrophobicContact CG-CZ3 4.36Å; Y550-W553 PolarHBondContact O-N 3.02Å; A551-W553 VanDerWaalsContact C-N 3.31Å; A551-W553 PolarHBondContact O-N 3.23Å; W553-L556 PolarHBondContact O-N 2.86Å; W553-G557 PolarHBondContact O-N 3.48Å; W553-S800 PolarHBondContact NE1-OG 3.49Å; W553-I807 HydrophobicContact CZ2-CD1 4.45Å; W553-I807 HydrophobicContact CZ2-CG2 4.04Å; W553-I815 HydrophobicContact CH2-CD1 3.4Å; W553-I815 VanDerWaalsContact CH2-CD1 3.4Å; W553-I815 HydrophobicContact CH2-CG1 4.46Å; W553-I815 HydrophobicContact CZ2-CD1 3.18Å; W553-I815 HydrophobicContact CZ2-CG1 4.4Å; W553-I815 HydrophobicContact CZ3-CD1 4.47Å
554	L	67	Low	61.5	Low	4 Å²	4	30.1 Å²	30.1	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-66.5	-53.6	176.1	-80.9	152.9	0	0	0	111.9	M501 V511 A515 I534 T537 I538 K541 A551 L556 G557 L558	M501-L554 HydrophobicContact SD-CD2 4.33Å; V511-L554 HydrophobicContact CG1-CD2 4.47Å; A515-L554 HydrophobicContact CB-CD2 3.75Å; A515-L554 HydrophobicContact CB-CG 4.15Å; I534-L554 HydrophobicContact CG2-CD2 4.36Å; T537-L554 HydrophobicContact CG2-CD2 4.01Å; I538-L554 HydrophobicContact CG1-CB 4.49Å; K541-L554 HydrophobicContact CD-CD1 4.38Å; A551-L554 PolarHBondContact O-N 3.35Å; L554-L556 PolarHBondContact O-N 2.85Å; L554-G557 PolarHBondContact O-N 3.31Å; L554-L558 PolarHBondContact O-N 3.49Å
555	P	67.1	Low	62.2	Low	1 Å²	1	26 Å²	26	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-66.5	-27.3	174	-22	34.1	0	0	0	113	A551 L558 G559 F583 F586 A587 L590	A551-P555 WeakPolarHBondContact O-CD 3.44Å; P555-L558 PolarHBondContact O-N 3.36Å; P555-G559 PolarHBondContact O-N 3.43Å; P555-F583 HydrophobicContact CG-CE1 3.86Å; P555-F583 HydrophobicContact CG-CE2 4Å; P555-F583 HydrophobicContact CG-CZ 3.34Å; P555-F586 HydrophobicContact CG-CD1 4.39Å; P555-A587 HydrophobicContact CB-CB 3.79Å; P555-A587 HydrophobicContact CG-CB 3.8Å; P555-L590 HydrophobicContact CB-CD2 3.99Å
556	L	66.4	Low	62.5	Low	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-68.2	-45.6	175.1	-176.1	59.5	0	0	0	111.1	L516 W553 L554 L558 G559 L560 L590 L795 V799	L516-L556 HydrophobicContact CD1-CD2 3.7Å; L516-L556 HydrophobicContact CD1-CG 4.02Å; W553-L556 PolarHBondContact O-N 2.86Å; L554-L556 PolarHBondContact O-N 2.85Å; L556-L558 PolarHBondContact O-N 2.95Å; L556-G559 PolarHBondContact O-N 3.36Å; L556-L560 HydrophobicContact CD1-CD1 4.5Å; L556-L560 HydrophobicContact CD1-CG 4.21Å; L556-L560 HydrophobicContact CG-CD1 4.17Å; L556-L560 HydrophobicContact CG-CG 4.33Å; L556-L560 WeakPolarHBondContact O-CB 3.39Å; L556-L560 VanDerWaalsContact O-CG 3.24Å; L556-L560 WeakPolarHBondContact O-CG 3.4Å; L556-L560 PolarHBondContact O-N 2.88Å; L556-L590 HydrophobicContact CB-CD2 3.92Å; L556-L590 HydrophobicContact CD1-CD1 4.39Å; L556-L590 HydrophobicContact CD1-CD2 4.2Å; L556-L795 HydrophobicContact CD1-CB 4.31Å; L556-V799 HydrophobicContact CD1-CG2 4.13Å; L556-V799 HydrophobicContact CD2-CB 3.92Å; L556-V799 HydrophobicContact CD2-CG1 4.12Å; L556-V799 HydrophobicContact CD2-CG2 4.09Å
557	G	66.1	Low	62.9	Low	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.2	-38.7	174	0	0	0	0	0	112.5	A515 G519 W553 L554 N561	A515-G557 WeakPolarHBondContact O-CA 3.31Å; G519-G557 WeakPolarHBondContact CA-O 3.27Å; W553-G557 PolarHBondContact O-N 3.48Å; L554-G557 PolarHBondContact O-N 3.31Å; G557-N561 PolarHBondContact O-N 2.92Å; G557-N561 VanDerWaalsContact O-N 3.15Å
558	L	69.8	Low	63.4	Low	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-69	-44.3	175.1	-161.2	143.6	0	0	0	112.2	T531 I534 V535 L554 P555 L556 L560 N561 H562 L576 V591	T531-L558 HydrophobicContact CG2-CD1 4.39Å; I534-L558 HydrophobicContact CB-CD1 4.27Å; I534-L558 HydrophobicContact CG2-CB 4.12Å; I534-L558 HydrophobicContact CG2-CD1 3.87Å; V535-L558 HydrophobicContact CG2-CD1 3.7Å; L554-L558 PolarHBondContact O-N 3.49Å; P555-L558 PolarHBondContact O-N 3.36Å; L556-L558 PolarHBondContact O-N 2.95Å; L558-L560 VanDerWaalsContact C-N 3.32Å; L558-L560 PolarHBondContact O-N 3.39Å; L558-N561 PolarHBondContact O-N 3.35Å; L558-H562 PolarHBondContact O-CD2 3.42Å; L558-H562 PolarHBondContact O-N 3.05Å; L558-L576 HydrophobicContact CD2-CD1 4.24Å; L558-V591 HydrophobicContact CB-CG2 4.47Å; L558-V591 HydrophobicContact CD2-CB 4.26Å; L558-V591 HydrophobicContact CD2-CG1 3.78Å; L558-V591 HydrophobicContact CD2-CG2 3.38Å
559	G	66.6	Low	63.8	Low	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.9	-37.9	175.5	0	0	0	0	0	113	P555 L556 H562 L563 C594	P555-G559 PolarHBondContact O-N 3.43Å; L556-G559 PolarHBondContact O-N 3.36Å; G559-H562 CarbonylContact O-C 3.57Å; G559-H562 PolarHBondContact O-N 3.33Å; G559-L563 PolarHBondContact O-N 2.96Å; G559-L563 VanDerWaalsContact O-N 3.11Å; G559-C594 WeakPolarHBondContact O-CB 3.47Å
560	L	67	Low	64.4	Low	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.9	-39.1	175.8	-68.3	177.1	0	0	0	112.2	L516 M520 V523 G524 L556 L558 H562 L563 A792 L795 T796	L516-L560 HydrophobicContact CD1-CD1 4.06Å; M520-L560 HydrophobicContact CG-CD1 4.29Å; V523-L560 WeakPolarHBondContact CA-O 3.29Å; V523-L560 WeakPolarHBondContact CG1-O 3.22Å; G524-L560 PolarHBondContact N-O 2.87Å; L556-L560 HydrophobicContact CD1-CD1 4.5Å; L556-L560 HydrophobicContact CD1-CG 4.21Å; L556-L560 HydrophobicContact CG-CD1 4.17Å; L556-L560 HydrophobicContact CG-CG 4.33Å; L556-L560 WeakPolarHBondContact O-CB 3.39Å; L556-L560 VanDerWaalsContact O-CG 3.24Å; L556-L560 WeakPolarHBondContact O-CG 3.4Å; L556-L560 PolarHBondContact O-N 2.88Å; L558-L560 VanDerWaalsContact C-N 3.32Å; L558-L560 PolarHBondContact O-N 3.39Å; L560-H562 PolarHBondContact O-N 2.91Å; L560-L563 VanDerWaalsContact O-CB 3.3Å; L560-L563 WeakPolarHBondContact O-CB 3.35Å; L560-L563 PolarHBondContact O-N 3.19Å; L560-A792 HydrophobicContact CD1-CB 4.09Å; L560-A792 HydrophobicContact CD2-CB 3.68Å; L560-A792 HydrophobicContact CG-CB 4.42Å; L560-L795 HydrophobicContact CD2-CD1 3.97Å; L560-T796 HydrophobicContact CD1-CG2 4.35Å
561	N	70.6	Confident	64.9	Low	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.4	-33	175	-168.1	16.3	0	0	0	112.4	A522 G524 C526 N527 T531 G557 L558	A522-N561 WeakPolarHBondContact O-CA 3.36Å; A522-N561 PolarHBondContact O-OD1 3.37Å; G524-N561 PolarHBondContact N-O 3.38Å; C526-N561 PolarHBondContact N-O 3.26Å; C526-N561 PolarHBondContact N-OD1 3.25Å; N527-N561 PolarHBondContact N-OD1 3.49Å; N527-N561 PolarHBondContact O-ND2 3.18Å; T531-N561 PolarHBondContact OG1-ND2 3.35Å; G557-N561 PolarHBondContact O-N 2.92Å; G557-N561 VanDerWaalsContact O-N 3.15Å; L558-N561 PolarHBondContact O-N 3.35Å
562	H	65.4	Low	65.3	Low	3 Å²	3	29.1 Å²	29.1	1%	0.014	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	14.8	179.6	-64.1	-64.8	0	0	0	114.3	C526 T531 L558 G559 L560 G564 I569	C526-H562 PolarHBondContact SG-CE1 3.17Å; C526-H562 PolarHBondContact SG-ND1 3.24Å; C526-H562 VanDerWaalsContact SG-ND1 3.42Å; T531-H562 WeakPolarHBondContact CG2-NE2 3.15Å; T531-H562 PolarHBondContact OG1-CE1 3.19Å; T531-H562 PolarHBondContact OG1-NE2 3Å; L558-H562 PolarHBondContact O-CD2 3.42Å; L558-H562 PolarHBondContact O-N 3.05Å; G559-H562 CarbonylContact O-C 3.57Å; G559-H562 PolarHBondContact O-N 3.33Å; L560-H562 PolarHBondContact O-N 2.91Å; H562-G564 PolarHBondContact O-N 3.18Å; H562-I569 HydrophobicContact CB-CG1 3.96Å
563	L	66.6	Low	65.5	Low	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	122.4	-178.8	-169.9	78	0	0	0	111	V523 G524 G559 L560 C594 A597 Q788 V791	V523-L563 HydrophobicContact CG1-CB 3.93Å; V523-L563 HydrophobicContact CG1-CD2 3.58Å; V523-L563 HydrophobicContact CG1-CG 4.4Å; G524-L563 WeakPolarHBondContact CA-O 3.14Å; G559-L563 PolarHBondContact O-N 2.96Å; G559-L563 VanDerWaalsContact O-N 3.11Å; L560-L563 VanDerWaalsContact O-CB 3.3Å; L560-L563 WeakPolarHBondContact O-CB 3.35Å; L560-L563 PolarHBondContact O-N 3.19Å; L563-C594 WeakPolarHBondContact CA-O 3.25Å; L563-C594 HydrophobicContact CD1-CB 4.02Å; L563-C594 WeakPolarHBondContact CD1-O 3.39Å; L563-A597 HydrophobicContact CD1-CB 3.75Å; L563-A597 HydrophobicContact CG-CB 4.44Å; L563-Q788 HydrophobicContact CD2-CB 3.89Å; L563-Q788 HydrophobicContact CD2-CG 3.98Å; L563-V791 HydrophobicContact CD1-CG1 4.19Å; L563-V791 HydrophobicContact CD2-CB 4.2Å; L563-V791 HydrophobicContact CD2-CG1 4.04Å
564	G	59.4	Low	65.6	Low	33 Å²	33	31.4 Å²	31.4	34%	0.34	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	17.6	171.8	0	0	0	0	0	116.6	H562 C594	H562-G564 PolarHBondContact O-N 3.18Å; G564-C594 PolarHBondContact N-O 2.7Å
565	K	64	Low	65.7	Low	67 Å²	67	32.9 Å²	32.9	29%	0.291	19%	0.194	S	C	.	.			trans	-128.9	80.9	175.1	-76.2	-175.9	171.4	164.5	0	111.5	G524 C526 E567 I569	G524-K565 WeakPolarHBondContact O-CD 3.46Å; G524-K565 WeakPolarHBondContact O-CE 3.38Å; G524-K565 PolarHBondContact O-NZ 3.34Å; C526-K565 HydrophobicContact CB-CD 4.23Å; K565-E567 VanDerWaalsContact C-N 3.3Å; K565-E567 PolarHBondContact O-N 2.97Å; K565-I569 WeakPolarHBondContact O-CD1 3.45Å
566	G	58.4	Low	65.7	Low	11 Å²	11	33 Å²	33	11%	0.113	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.9	-173.4	0	0	0	0	0	117	I569	G566-I569 VanDerWaalsContact C-CD1 3.49Å; G566-I569 VanDerWaalsContact CA-CD1 3.41Å; G566-I569 VanDerWaalsContact O-CD1 3.29Å; G566-I569 WeakPolarHBondContact O-CD1 3.32Å
567	E	60.4	Low	65.7	Low	156 Å²	156	39 Å²	39	73%	0.729	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-33.5	-171.7	-63.1	-177.7	170.4	0	0	114.3	K565 I569	K565-E567 VanDerWaalsContact C-N 3.3Å; K565-E567 PolarHBondContact O-N 2.97Å; E567-I569 VanDerWaalsContact C-N 3.32Å; E567-I569 PolarHBondContact O-N 3.18Å
568	A	60.6	Low	65.7	Low	34 Å²	34	44.1 Å²	44.1	28%	0.281	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.2	-172.8	0	0	0	0	0	113.8	T571	A568-T571 PolarHBondContact O-OG1 3.47Å
569	I	64.8	Low	65.4	Low	2 Å²	2	44.4 Å²	44.4	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-76.5	-27.2	-171.1	-65.2	115.7	0	0	0	113.1	H562 K565 G566 E567 T571 T572 L573 V591 A595	H562-I569 HydrophobicContact CB-CG1 3.96Å; K565-I569 WeakPolarHBondContact O-CD1 3.45Å; G566-I569 VanDerWaalsContact C-CD1 3.49Å; G566-I569 VanDerWaalsContact CA-CD1 3.41Å; G566-I569 VanDerWaalsContact O-CD1 3.29Å; G566-I569 WeakPolarHBondContact O-CD1 3.32Å; E567-I569 VanDerWaalsContact C-N 3.32Å; E567-I569 PolarHBondContact O-N 3.18Å; I569-T571 PolarHBondContact O-N 3.22Å; I569-T572 WeakPolarHBondContact CA-OG1 3.32Å; I569-T572 CarbonylContact O-C 3.57Å; I569-T572 WeakPolarHBondContact O-CA 3.21Å; I569-T572 PolarHBondContact O-N 2.94Å; I569-T572 PolarHBondContact O-OG1 3.28Å; I569-L573 HydrophobicContact CG2-CD1 3.59Å; I569-L573 HydrophobicContact CG2-CD2 4.41Å; I569-L573 HydrophobicContact CG2-CG 3.58Å; I569-L573 PolarHBondContact O-N 3.43Å; I569-V591 HydrophobicContact CG2-CG1 3.83Å; I569-A595 HydrophobicContact CB-CB 4.41Å; I569-A595 HydrophobicContact CD1-CB 3.04Å; I569-A595 HydrophobicContact CG1-CB 3.65Å; I569-A595 HydrophobicContact CG2-CB 4.4Å
570	E	66.8	Low	65.2	Low	145 Å²	145	47.3 Å²	47.3	68%	0.678	28%	0.275	S	S	*	.	H	α-helix	trans	-57.2	-38.3	-177.6	-64.6	-166	160.1	0	0	112.3	T572 A574	E570-T572 VanDerWaalsContact C-N 3.33Å; E570-T572 PolarHBondContact O-N 3.44Å; E570-A574 WeakPolarHBondContact O-CB 3.16Å; E570-A574 PolarHBondContact O-N 3.35Å
571	T	66.4	Low	64.2	Low	106 Å²	106	53.5 Å²	53.5	65%	0.65	30%	0.303	S	S	*	.	H	α-helix	trans	-63.9	-39.5	176	65	0	0	0	0	112	A568 I569 A575	A568-T571 PolarHBondContact O-OG1 3.47Å; I569-T571 PolarHBondContact O-N 3.22Å; T571-A575 PolarHBondContact O-N 2.93Å; T571-A575 VanDerWaalsContact O-N 3.1Å
572	T	66.9	Low	63.6	Low	8 Å²	8	56.3 Å²	56.3	5%	0.049	32%	0.322	C	S	.	.	H	α-helix	trans	-76.7	-36.9	-179.9	68.4	0	0	0	0	112.7	T531 I569 E570 A575 L576	T531-T572 HydrophobicContact CG2-CG2 3.8Å; I569-T572 WeakPolarHBondContact CA-OG1 3.32Å; I569-T572 CarbonylContact O-C 3.57Å; I569-T572 WeakPolarHBondContact O-CA 3.21Å; I569-T572 PolarHBondContact O-N 2.94Å; I569-T572 PolarHBondContact O-OG1 3.28Å; E570-T572 VanDerWaalsContact C-N 3.33Å; E570-T572 PolarHBondContact O-N 3.44Å; T572-A575 PolarHBondContact O-N 2.93Å; T572-L576 WeakPolarHBondContact O-CG 3.4Å; T572-L576 PolarHBondContact O-N 3.37Å
573	L	69.1	Low	63.4	Low	36 Å²	36	57.3 Å²	57.3	19%	0.188	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-42.4	171.7	-75.4	173.5	0	0	0	110.7	I569 A575 L576 Q577 N588	I569-L573 HydrophobicContact CG2-CD1 3.59Å; I569-L573 HydrophobicContact CG2-CD2 4.41Å; I569-L573 HydrophobicContact CG2-CG 3.58Å; I569-L573 PolarHBondContact O-N 3.43Å; L573-A575 VanDerWaalsContact C-N 3.31Å; L573-A575 PolarHBondContact O-N 2.96Å; L573-L576 PolarHBondContact O-N 3.41Å; L573-Q577 WeakPolarHBondContact O-CG 3.24Å; L573-Q577 PolarHBondContact O-N 2.96Å; L573-Q577 VanDerWaalsContact O-N 3.16Å; L573-N588 HydrophobicContact CD2-CB 4.04Å
574	A	69	Low	63.3	Low	53 Å²	53	60.4 Å²	60.4	44%	0.438	34%	0.338	S	S	.	.	H	α-helix	trans	-61.3	-39.5	174.5	0	0	0	0	0	111.9	E570 Q577	E570-A574 WeakPolarHBondContact O-CB 3.16Å; E570-A574 PolarHBondContact O-N 3.35Å; A574-Q577 PolarHBondContact O-N 3.03Å
575	A	68.6	Low	63.6	Low	35 Å²	35	60.8 Å²	60.8	29%	0.289	34%	0.335	S	S	.	.	H	α-helix	trans	-65.6	-37.3	174.5	0	0	0	0	0	112.8	V535 T571 T572 L573 Q577	V535-A575 HydrophobicContact CG1-CB 4.43Å; T571-A575 PolarHBondContact O-N 2.93Å; T571-A575 VanDerWaalsContact O-N 3.1Å; T572-A575 PolarHBondContact O-N 2.93Å; L573-A575 VanDerWaalsContact C-N 3.31Å; L573-A575 PolarHBondContact O-N 2.96Å; A575-Q577 VanDerWaalsContact C-N 3.3Å; A575-Q577 PolarHBondContact O-N 2.96Å
576	L	67.4	Low	63.8	Low	4 Å²	4	57.9 Å²	57.9	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-72.9	-17	178.6	-72.4	166.4	0	0	0	113.8	I538 L558 T572 L573 V578 V579 A587 N588 V591	I538-L576 HydrophobicContact CD1-CD2 4.22Å; L558-L576 HydrophobicContact CD2-CD1 4.24Å; T572-L576 WeakPolarHBondContact O-CG 3.4Å; T572-L576 PolarHBondContact O-N 3.37Å; L573-L576 PolarHBondContact O-N 3.41Å; L576-V578 PolarHBondContact O-N 3.31Å; L576-V579 WeakPolarHBondContact O-CB 3.24Å; L576-V579 WeakPolarHBondContact O-CG2 3.04Å; L576-V579 PolarHBondContact O-N 3.18Å; L576-A587 HydrophobicContact CD2-CB 4.44Å; L576-N588 VanDerWaalsContact CB-OD1 3.26Å; L576-N588 WeakPolarHBondContact CB-OD1 3.2Å; L576-V591 HydrophobicContact CD1-CG2 4.07Å
577	Q	65.6	Low	64.2	Low	124 Å²	124	57.4 Å²	57.4	58%	0.579	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.9	175.6	-73.9	177.1	10	0	0	113.6	L573 A574 A575 V579 R584	L573-Q577 WeakPolarHBondContact O-CG 3.24Å; L573-Q577 PolarHBondContact O-N 2.96Å; L573-Q577 VanDerWaalsContact O-N 3.16Å; A574-Q577 PolarHBondContact O-N 3.03Å; A575-Q577 VanDerWaalsContact C-N 3.3Å; A575-Q577 PolarHBondContact O-N 2.96Å; Q577-V579 VanDerWaalsContact C-N 3.29Å; Q577-V579 PolarHBondContact O-N 3.45Å; Q577-R584 PolarHBondContact O-NE 3.46Å; Q577-R584 PolarHBondContact O-NH2 2.89Å
578	V	65.9	Low	64.8	Low	108 Å²	108	51.6 Å²	51.6	66%	0.655	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-17.7	-179.4	-172.9	0	0	0	0	112.4	M539 L576	M539-V578 HydrophobicContact CE-CB 4.34Å; L576-V578 PolarHBondContact O-N 3.31Å
579	V	65	Low	65.3	Low	8 Å²	8	50.6 Å²	50.6	5%	0.048	28%	0.282	C	S	.	.	S	Bend	trans	-77.5	143.8	-175.6	-177.5	0	0	0	0	112	I538 L576 Q577 F583 R584	I538-V579 HydrophobicContact CG2-CG1 4.13Å; I538-V579 HydrophobicContact CG2-CG2 3.65Å; L576-V579 WeakPolarHBondContact O-CB 3.24Å; L576-V579 WeakPolarHBondContact O-CG2 3.04Å; L576-V579 PolarHBondContact O-N 3.18Å; Q577-V579 VanDerWaalsContact C-N 3.29Å; Q577-V579 PolarHBondContact O-N 3.45Å; V579-F583 HydrophobicContact CG1-CD1 4.11Å; V579-R584 PolarHBondContact O-NE 3.27Å; V579-R584 PolarHBondContact O-NH2 2.88Å
580	P	61.5	Low	65.4	Low	60 Å²	60	50.8 Å²	50.8	39%	0.39	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-65.8	149.9	178.5	22.2	-31.1	0	0	0	115.3	R584	P580-R584 PolarHBondContact O-N 2.8Å
581	E	45.1	Very low	65.7	Low	130 Å²	130	43.9 Å²	43.9	61%	0.607	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	137.8	175.5	-62.2	-170.4	179.4	0	0	110.3	R584	E581-R584 HydrophobicContact CG-CB 4.39Å; E581-R584 IonicContact OE1-NH1 2.7Å; E581-R584 PolarHBondContact OE1-NH1 2.76Å
582	P	58.3	Low	65.9	Low	60 Å²	60	40.1 Å²	40.1	39%	0.39	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	cis	-102.5	-1.8	23.2	36.2	-35.5	0	0	0	117.4	R584 M644	P582-R584 VanDerWaalsContact C-N 3.33Å; P582-M644 HydrophobicContact CB-CE 4.26Å; P582-M644 HydrophobicContact CB-CG 4.41Å
583	F	61.2	Low	65.9	Low	23 Å²	23	40 Å²	40	10%	0.101	23%	0.226	C	C	.	.	H	α-helix	trans	-70.1	-30.3	178.4	-173.9	-99.1	0	0	0	112.4	I538 L546 A551 P555 V579 S585 F586 A587	I538-F583 HydrophobicContact CG2-CE1 4.26Å; L546-F583 HydrophobicContact CD2-CB 4.21Å; L546-F583 HydrophobicContact CD2-CD1 3.44Å; L546-F583 VanDerWaalsContact CD2-CD1 3.44Å; L546-F583 HydrophobicContact CD2-CD2 3.98Å; L546-F583 HydrophobicContact CD2-CE1 3.6Å; L546-F583 HydrophobicContact CD2-CE2 4.13Å; L546-F583 HydrophobicContact CD2-CG 3.62Å; L546-F583 HydrophobicContact CD2-CZ 3.92Å; A551-F583 HydrophobicContact CB-CE2 3.76Å; A551-F583 HydrophobicContact CB-CZ 4.28Å; A551-F583 VanDerWaalsContact O-CE2 3.31Å; A551-F583 WeakPolarHBondContact O-CE2 3.49Å; A551-F583 VanDerWaalsContact O-CZ 3.31Å; A551-F583 WeakPolarHBondContact O-CZ 3.44Å; P555-F583 HydrophobicContact CG-CE1 3.86Å; P555-F583 HydrophobicContact CG-CE2 4Å; P555-F583 HydrophobicContact CG-CZ 3.34Å; V579-F583 HydrophobicContact CG1-CD1 4.11Å; F583-S585 PolarHBondContact O-N 3.18Å; F583-F586 PolarHBondContact O-N 3.34Å; F583-A587 PolarHBondContact O-N 3Å
584	R	64.5	Low	65.6	Low	65 Å²	65	38.2 Å²	38.2	25%	0.245	22%	0.217	C	C	.	.	H	α-helix	trans	-51.9	-52.6	173	-179.2	-167.6	-65.8	167.1	-6.4	112.4	Q577 V579 P580 E581 P582 F586 A587 N588	Q577-R584 PolarHBondContact O-NE 3.46Å; Q577-R584 PolarHBondContact O-NH2 2.89Å; V579-R584 PolarHBondContact O-NE 3.27Å; V579-R584 PolarHBondContact O-NH2 2.88Å; P580-R584 PolarHBondContact O-N 2.8Å; E581-R584 HydrophobicContact CG-CB 4.39Å; E581-R584 IonicContact OE1-NH1 2.7Å; E581-R584 PolarHBondContact OE1-NH1 2.76Å; P582-R584 VanDerWaalsContact C-N 3.33Å; R584-F586 VanDerWaalsContact C-N 3.3Å; R584-F586 PolarHBondContact O-N 3.36Å; R584-A587 PolarHBondContact O-N 3.12Å; R584-N588 WeakPolarHBondContact O-CB 3.42Å; R584-N588 VanDerWaalsContact O-CG 3.28Å; R584-N588 PolarHBondContact O-N 3.27Å
585	S	66.4	Low	65.5	Low	41 Å²	41	35.8 Å²	35.8	29%	0.287	20%	0.196	S	C	.	.	H	α-helix	trans	-65.3	-37.8	-176.3	-45.6	0	0	0	0	110.9	F583 T589 H647	F583-S585 PolarHBondContact O-N 3.18Å; S585-T589 WeakPolarHBondContact O-CB 3.25Å; S585-T589 WeakPolarHBondContact O-CG2 3.08Å; S585-T589 PolarHBondContact O-N 3.05Å; S585-T589 PolarHBondContact O-OG1 3.18Å; S585-H647 WeakPolarHBondContact CB-NE2 3.33Å; S585-H647 PolarHBondContact O-CD2 2.99Å; S585-H647 PolarHBondContact O-NE2 3.35Å
586	F	67.1	Low	65.3	Low	6 Å²	6	36 Å²	36	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-64.6	-45.4	175.7	-179.3	-91.3	0	0	0	112.4	R552 P555 F583 R584 T589 L590 S646 V650	R552-F586 HydrophobicContact CB-CE1 4.12Å; R552-F586 HydrophobicContact CB-CZ 4.11Å; R552-F586 HydrophobicContact CG-CE1 4.07Å; R552-F586 HydrophobicContact CG-CZ 3.91Å; P555-F586 HydrophobicContact CG-CD1 4.39Å; F583-F586 PolarHBondContact O-N 3.34Å; R584-F586 VanDerWaalsContact C-N 3.3Å; R584-F586 PolarHBondContact O-N 3.36Å; F586-T589 PolarHBondContact O-OG1 3.48Å; F586-T589 VanDerWaalsContact O-OG1 3.14Å; F586-L590 HydrophobicContact CE1-CD2 4.35Å; F586-L590 WeakPolarHBondContact O-CB 3.48Å; F586-L590 PolarHBondContact O-N 3.38Å; F586-S646 WeakPolarHBondContact CD2-OG 3.4Å; F586-V650 HydrophobicContact CD2-CG2 4Å; F586-V650 HydrophobicContact CE2-CB 4.2Å; F586-V650 HydrophobicContact CE2-CG2 3.24Å; F586-V650 HydrophobicContact CZ-CG2 3.71Å
587	A	67.9	Low	65.1	Low	1 Å²	1	36.4 Å²	36.4	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-67.5	-44.8	177.9	0	0	0	0	0	111.9	P555 L576 F583 R584 T589 L590 V591	P555-A587 HydrophobicContact CB-CB 3.79Å; P555-A587 HydrophobicContact CG-CB 3.8Å; L576-A587 HydrophobicContact CD2-CB 4.44Å; F583-A587 PolarHBondContact O-N 3Å; R584-A587 PolarHBondContact O-N 3.12Å; A587-T589 PolarHBondContact O-N 2.75Å; A587-L590 PolarHBondContact O-N 2.96Å; A587-V591 WeakPolarHBondContact O-CB 3.28Å; A587-V591 WeakPolarHBondContact O-CG2 3.39Å; A587-V591 PolarHBondContact O-N 3.37Å
588	N	73.4	Confident	64.8	Low	35 Å²	35	31.7 Å²	31.7	19%	0.187	18%	0.178	C	C	.	.	H	α-helix	trans	-61	-46.7	178.6	-76.1	-10.5	0	0	0	111.9	L573 L576 R584 D592	L573-N588 HydrophobicContact CD2-CB 4.04Å; L576-N588 VanDerWaalsContact CB-OD1 3.26Å; L576-N588 WeakPolarHBondContact CB-OD1 3.2Å; R584-N588 WeakPolarHBondContact O-CB 3.42Å; R584-N588 VanDerWaalsContact O-CG 3.28Å; R584-N588 PolarHBondContact O-N 3.27Å; N588-D592 WeakPolarHBondContact O-CB 3.42Å; N588-D592 PolarHBondContact O-N 2.93Å
589	T	71	Confident	64.7	Low	12 Å²	12	28.1 Å²	28.1	7%	0.074	16%	0.158	C	C	.	.	H	α-helix	trans	-65	-42.4	177.6	46.2	0	0	0	0	111.8	S585 F586 A587 V591 D592 I593 I611 H647	S585-T589 WeakPolarHBondContact O-CB 3.25Å; S585-T589 WeakPolarHBondContact O-CG2 3.08Å; S585-T589 PolarHBondContact O-N 3.05Å; S585-T589 PolarHBondContact O-OG1 3.18Å; F586-T589 PolarHBondContact O-OG1 3.48Å; F586-T589 VanDerWaalsContact O-OG1 3.14Å; A587-T589 PolarHBondContact O-N 2.75Å; T589-V591 PolarHBondContact O-N 3.4Å; T589-D592 PolarHBondContact O-N 2.88Å; T589-I593 VanDerWaalsContact O-CB 3.25Å; T589-I593 WeakPolarHBondContact O-CB 3.35Å; T589-I593 WeakPolarHBondContact O-CD1 3.41Å; T589-I593 WeakPolarHBondContact O-CG1 3.36Å; T589-I593 PolarHBondContact O-N 3.38Å; T589-I611 HydrophobicContact CG2-CD1 4.24Å; T589-H647 WeakPolarHBondContact CG2-NE2 3.42Å; T589-H647 PolarHBondContact OG1-CD2 3.16Å
590	L	67	Low	64.5	Low	6 Å²	6	28.4 Å²	28.4	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-63.7	-41.2	-180	-171.8	61.3	0	0	0	112.5	P555 L556 F586 A587 I593 C594 V650	P555-L590 HydrophobicContact CB-CD2 3.99Å; L556-L590 HydrophobicContact CB-CD2 3.92Å; L556-L590 HydrophobicContact CD1-CD1 4.39Å; L556-L590 HydrophobicContact CD1-CD2 4.2Å; F586-L590 HydrophobicContact CE1-CD2 4.35Å; F586-L590 WeakPolarHBondContact O-CB 3.48Å; F586-L590 PolarHBondContact O-N 3.38Å; A587-L590 PolarHBondContact O-N 2.96Å; L590-I593 PolarHBondContact O-N 3.48Å; L590-C594 PolarHBondContact O-N 2.87Å; L590-C594 PolarHBondContact O-SG 3.13Å; L590-V650 HydrophobicContact CB-CG1 4.05Å; L590-V650 HydrophobicContact CD1-CG1 3.75Å; L590-V650 HydrophobicContact CG-CG1 4.48Å
591	V	71.3	Confident	64.7	Low	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-71.1	-42.4	178.8	177.7	0	0	0	0	110.8	L558 I569 L576 A587 T589 I593 C594 A595	L558-V591 HydrophobicContact CB-CG2 4.47Å; L558-V591 HydrophobicContact CD2-CB 4.26Å; L558-V591 HydrophobicContact CD2-CG1 3.78Å; L558-V591 HydrophobicContact CD2-CG2 3.38Å; I569-V591 HydrophobicContact CG2-CG1 3.83Å; L576-V591 HydrophobicContact CD1-CG2 4.07Å; A587-V591 WeakPolarHBondContact O-CB 3.28Å; A587-V591 WeakPolarHBondContact O-CG2 3.39Å; A587-V591 PolarHBondContact O-N 3.37Å; T589-V591 PolarHBondContact O-N 3.4Å; V591-I593 VanDerWaalsContact C-N 3.3Å; V591-I593 PolarHBondContact O-N 2.91Å; V591-C594 PolarHBondContact O-N 3.38Å; V591-A595 VanDerWaalsContact O-CB 3.27Å; V591-A595 WeakPolarHBondContact O-CB 3.34Å; V591-A595 PolarHBondContact O-N 3.16Å
592	D	71.8	Confident	65.7	Low	28 Å²	28	26.1 Å²	26.1	15%	0.15	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-35.9	174.1	-165.7	46.8	0	0	0	111.4	N588 T589 A595 Y596 K604	N588-D592 WeakPolarHBondContact O-CB 3.42Å; N588-D592 PolarHBondContact O-N 2.93Å; T589-D592 PolarHBondContact O-N 2.88Å; D592-A595 WeakPolarHBondContact O-CB 3.3Å; D592-Y596 WeakPolarHBondContact O-CD2 3.33Å; D592-Y596 PolarHBondContact O-N 3.15Å; D592-Y596 WeakPolarHBondContact OD1-CE2 3.46Å; D592-K604 VanDerWaalsContact CG-NZ 3.34Å; D592-K604 IonicContact OD1-NZ 3.44Å; D592-K604 PolarHBondContact OD1-NZ 3.04Å; D592-K604 IonicContact OD2-NZ 3.51Å; D592-K604 PolarHBondContact OD2-NZ 3.31Å
593	I	67.7	Low	66.2	Low	4 Å²	4	28.8 Å²	28.8	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-71.7	-42.8	177.4	-74.4	160.3	0	0	0	112.1	T589 L590 V591 A595 Y596 A597 L608 V650 L657	T589-I593 VanDerWaalsContact O-CB 3.25Å; T589-I593 WeakPolarHBondContact O-CB 3.35Å; T589-I593 WeakPolarHBondContact O-CD1 3.41Å; T589-I593 WeakPolarHBondContact O-CG1 3.36Å; T589-I593 PolarHBondContact O-N 3.38Å; L590-I593 PolarHBondContact O-N 3.48Å; V591-I593 VanDerWaalsContact C-N 3.3Å; V591-I593 PolarHBondContact O-N 2.91Å; I593-A595 VanDerWaalsContact C-N 3.31Å; I593-Y596 PolarHBondContact O-N 3.42Å; I593-A597 PolarHBondContact O-N 3.43Å; I593-L608 HydrophobicContact CD1-CD1 4.38Å; I593-L608 HydrophobicContact CD1-CD2 3.88Å; I593-L608 HydrophobicContact CG1-CD1 3.92Å; I593-L608 HydrophobicContact CG1-CD2 3.96Å; I593-V650 HydrophobicContact CD1-CG1 3.86Å; I593-V650 WeakPolarHBondContact CD1-O 3.27Å; I593-L657 HydrophobicContact CG2-CB 4.34Å; I593-L657 HydrophobicContact CG2-CD1 4.14Å; I593-L657 HydrophobicContact CG2-CD2 4.45Å
594	C	62.1	Low	66.6	Low	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-69.9	-32.8	179.8	-63.6	0	0	0	0	111.4	G559 L563 G564 L590 V591 A597	G559-C594 WeakPolarHBondContact O-CB 3.47Å; L563-C594 WeakPolarHBondContact CA-O 3.25Å; L563-C594 HydrophobicContact CD1-CB 4.02Å; L563-C594 WeakPolarHBondContact CD1-O 3.39Å; G564-C594 PolarHBondContact N-O 2.7Å; L590-C594 PolarHBondContact O-N 2.87Å; L590-C594 PolarHBondContact O-SG 3.13Å; V591-C594 PolarHBondContact O-N 3.38Å; C594-A597 VanDerWaalsContact O-CB 3.31Å; C594-A597 WeakPolarHBondContact O-CB 3.4Å; C594-A597 PolarHBondContact O-N 3.17Å
595	A	66.8	Low	66.8	Low	2 Å²	2	27.6 Å²	27.6	2%	0.017	16%	0.163	C	C	.	.	H	α-helix	trans	-54.8	-53.2	171.2	0	0	0	0	0	113.6	I569 V591 D592 I593 A597	I569-A595 HydrophobicContact CB-CB 4.41Å; I569-A595 HydrophobicContact CD1-CB 3.04Å; I569-A595 HydrophobicContact CG1-CB 3.65Å; I569-A595 HydrophobicContact CG2-CB 4.4Å; V591-A595 VanDerWaalsContact O-CB 3.27Å; V591-A595 WeakPolarHBondContact O-CB 3.34Å; V591-A595 PolarHBondContact O-N 3.16Å; D592-A595 WeakPolarHBondContact O-CB 3.3Å; I593-A595 VanDerWaalsContact C-N 3.31Å; A595-A597 PolarHBondContact O-N 3.34Å
596	Y	64.6	Low	67	Low	40 Å²	40	31.1 Å²	31.1	16%	0.157	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	27.8	-175.6	-66.6	-71.1	0	0	0	112.6	D592 I593 G598 S599 K604	D592-Y596 WeakPolarHBondContact O-CD2 3.33Å; D592-Y596 PolarHBondContact O-N 3.15Å; D592-Y596 WeakPolarHBondContact OD1-CE2 3.46Å; I593-Y596 PolarHBondContact O-N 3.42Å; Y596-G598 PolarHBondContact O-N 3.14Å; Y596-S599 PolarHBondContact O-OG 3.43Å; Y596-K604 HydrophobicContact CD2-CD 3.87Å; Y596-K604 HydrophobicContact CD2-CG 3.97Å; Y596-K604 HydrophobicContact CE2-CD 3.94Å; Y596-K604 HydrophobicContact CE2-CG 4.3Å; Y596-K604 HydrophobicContact CG-CG 4.15Å
597	A	62.7	Low	67.1	Low	12 Å²	12	35.7 Å²	35.7	10%	0.099	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	122.3	-179.9	0	0	0	0	0	111.7	L563 I593 C594 A595 S599 L657 M786	L563-A597 HydrophobicContact CD1-CB 3.75Å; L563-A597 HydrophobicContact CG-CB 4.44Å; I593-A597 PolarHBondContact O-N 3.43Å; C594-A597 VanDerWaalsContact O-CB 3.31Å; C594-A597 WeakPolarHBondContact O-CB 3.4Å; C594-A597 PolarHBondContact O-N 3.17Å; A595-A597 PolarHBondContact O-N 3.34Å; A597-S599 PolarHBondContact O-N 3.31Å; A597-L657 HydrophobicContact CB-CD2 3.24Å; A597-M786 HydrophobicContact CB-CE 4.12Å; A597-M786 HydrophobicContact CB-SD 4.23Å
598	G	60.4	Low	67.2	Low	24 Å²	24	36 Å²	36	25%	0.247	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	2.9	173.1	0	0	0	0	0	116.4	Y596 G600	Y596-G598 PolarHBondContact O-N 3.14Å; G598-G600 VanDerWaalsContact C-N 3.29Å; G598-G600 PolarHBondContact O-N 3.26Å
599	S	63.3	Low	67	Low	34 Å²	34	36.3 Å²	36.3	24%	0.238	20%	0.2	C	C	.	.	S	Bend	trans	-81.7	-3	179.3	63.9	0	0	0	0	114.3	Y596 A597 N601	Y596-S599 PolarHBondContact O-OG 3.43Å; A597-S599 PolarHBondContact O-N 3.31Å; S599-N601 PolarHBondContact O-N 2.88Å
600	G	60.3	Low	67.2	Low	13 Å²	13	41.1 Å²	41.1	13%	0.134	22%	0.221	C	C	.	.			trans	64.3	9.1	177.3	0	0	0	0	0	115	G598 V602	G598-G600 VanDerWaalsContact C-N 3.29Å; G598-G600 PolarHBondContact O-N 3.26Å; G600-V602 PolarHBondContact O-N 3.22Å
601	N	65.2	Low	67.2	Low	51 Å²	51	42.9 Å²	42.9	27%	0.273	23%	0.23	S	C	.	.			trans	-64.3	106.6	-169.3	-169.7	-20.5	0	0	0	112.8	S599 L603 K604 V605	S599-N601 PolarHBondContact O-N 2.88Å; N601-L603 VanDerWaalsContact C-N 3.29Å; N601-L603 PolarHBondContact O-N 3.36Å; N601-L603 WeakPolarHBondContact OD1-CB 3.49Å; N601-L603 PolarHBondContact OD1-N 2.96Å; N601-K604 HydrophobicContact CB-CB 4.44Å; N601-K604 HydrophobicContact CB-CG 4.45Å; N601-K604 PolarHBondContact O-N 3.43Å; N601-V605 PolarHBondContact O-N 2.88Å
602	V	65.8	Low	66.6	Low	91 Å²	91	43.4 Å²	43.4	55%	0.552	23%	0.233	S	C	*	.	H	α-helix	trans	-64.5	-31.3	-176.6	-174.9	0	0	0	0	112.3	G600 K604 V605 Q606	G600-V602 PolarHBondContact O-N 3.22Å; V602-K604 VanDerWaalsContact C-N 3.34Å; V602-K604 PolarHBondContact O-N 2.82Å; V602-V605 PolarHBondContact O-N 2.96Å; V602-Q606 HydrophobicContact CG1-CG 4.42Å; V602-Q606 VanDerWaalsContact O-CG 3.3Å; V602-Q606 WeakPolarHBondContact O-CG 3.32Å; V602-Q606 PolarHBondContact O-N 3.35Å
603	L	70.3	Confident	66.1	Low	116 Å²	116	45.4 Å²	45.4	61%	0.607	25%	0.25	S	C	*	.	H	α-helix	trans	-64.9	-41	178.6	-72	163.1	0	0	0	111.2	N601 Q606 Q607	N601-L603 VanDerWaalsContact C-N 3.29Å; N601-L603 PolarHBondContact O-N 3.36Å; N601-L603 WeakPolarHBondContact OD1-CB 3.49Å; N601-L603 PolarHBondContact OD1-N 2.96Å; L603-Q606 PolarHBondContact O-N 3.24Å; L603-Q607 WeakPolarHBondContact O-CG 3.12Å; L603-Q607 PolarHBondContact O-N 3.18Å
604	K	69.2	Low	65.6	Low	35 Å²	35	48.9 Å²	48.9	15%	0.152	27%	0.266	C	S	.	.	H	α-helix	trans	-69.1	-40.9	176.6	-71.5	-74	177	168.1	0	111.3	D592 Y596 N601 V602 Q606 Q607 L608 I658	D592-K604 VanDerWaalsContact CG-NZ 3.34Å; D592-K604 IonicContact OD1-NZ 3.44Å; D592-K604 PolarHBondContact OD1-NZ 3.04Å; D592-K604 IonicContact OD2-NZ 3.51Å; D592-K604 PolarHBondContact OD2-NZ 3.31Å; Y596-K604 HydrophobicContact CD2-CD 3.87Å; Y596-K604 HydrophobicContact CD2-CG 3.97Å; Y596-K604 HydrophobicContact CE2-CD 3.94Å; Y596-K604 HydrophobicContact CE2-CG 4.3Å; Y596-K604 HydrophobicContact CG-CG 4.15Å; N601-K604 HydrophobicContact CB-CB 4.44Å; N601-K604 HydrophobicContact CB-CG 4.45Å; N601-K604 PolarHBondContact O-N 3.43Å; V602-K604 VanDerWaalsContact C-N 3.34Å; V602-K604 PolarHBondContact O-N 2.82Å; K604-Q606 VanDerWaalsContact C-N 3.29Å; K604-Q606 PolarHBondContact O-N 3.46Å; K604-Q607 PolarHBondContact O-N 3.17Å; K604-L608 VanDerWaalsContact O-CG 3.3Å; K604-L608 WeakPolarHBondContact O-CG 3.37Å; K604-L608 PolarHBondContact O-N 2.85Å; K604-I658 HydrophobicContact CB-CD1 4.29Å
605	V	68.7	Low	64.9	Low	28 Å²	28	54.6 Å²	54.6	17%	0.17	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-41	172.1	177	0	0	0	0	111.3	N601 V602 L608 L609 I655 I658	N601-V605 PolarHBondContact O-N 2.88Å; V602-V605 PolarHBondContact O-N 2.96Å; V605-L608 PolarHBondContact O-N 2.88Å; V605-L609 HydrophobicContact CG1-CD1 3.97Å; V605-L609 HydrophobicContact CG1-CG 4.36Å; V605-L609 WeakPolarHBondContact O-CB 3.34Å; V605-L609 VanDerWaalsContact O-CG 3.24Å; V605-L609 WeakPolarHBondContact O-CG 3.21Å; V605-L609 PolarHBondContact O-N 3.39Å; V605-I655 HydrophobicContact CG1-CG2 4.3Å; V605-I658 HydrophobicContact CG2-CB 4.18Å; V605-I658 HydrophobicContact CG2-CD1 4.35Å; V605-I658 HydrophobicContact CG2-CG2 3.73Å
606	Q	70.3	Confident	63.8	Low	116 Å²	116	62 Å²	62	54%	0.542	32%	0.321	S	S	.	.	H	α-helix	trans	-64.5	-42.4	176.2	-74.4	175.8	7.8	0	0	112.7	V602 L603 K604 L609 H610	V602-Q606 HydrophobicContact CG1-CG 4.42Å; V602-Q606 VanDerWaalsContact O-CG 3.3Å; V602-Q606 WeakPolarHBondContact O-CG 3.32Å; V602-Q606 PolarHBondContact O-N 3.35Å; L603-Q606 PolarHBondContact O-N 3.24Å; K604-Q606 VanDerWaalsContact C-N 3.29Å; K604-Q606 PolarHBondContact O-N 3.46Å; Q606-L609 PolarHBondContact O-N 3.48Å; Q606-H610 PolarHBondContact O-N 3.31Å
607	Q	70.4	Confident	62.2	Low	102 Å²	102	68.4 Å²	68.4	48%	0.477	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-44.3	174.9	-71.4	174.4	-0.7	0	0	111.4	L603 K604 L609 H610 I611	L603-Q607 WeakPolarHBondContact O-CG 3.12Å; L603-Q607 PolarHBondContact O-N 3.18Å; K604-Q607 PolarHBondContact O-N 3.17Å; Q607-L609 VanDerWaalsContact C-N 3.33Å; Q607-L609 PolarHBondContact O-N 3.15Å; Q607-H610 WeakPolarHBondContact O-CB 3.44Å; Q607-H610 PolarHBondContact O-N 2.94Å; Q607-I611 WeakPolarHBondContact O-CG1 3.46Å; Q607-I611 PolarHBondContact O-N 3.47Å
608	L	68.4	Low	60.8	Low	6 Å²	6	72.2 Å²	72.2	3%	0.031	38%	0.384	C	S	.	.	H	α-helix	trans	-64.6	-36.7	175.9	-67.7	172.5	0	0	0	112.3	I593 K604 V605 I611 C612 A651 I655 I658	I593-L608 HydrophobicContact CD1-CD1 4.38Å; I593-L608 HydrophobicContact CD1-CD2 3.88Å; I593-L608 HydrophobicContact CG1-CD1 3.92Å; I593-L608 HydrophobicContact CG1-CD2 3.96Å; K604-L608 VanDerWaalsContact O-CG 3.3Å; K604-L608 WeakPolarHBondContact O-CG 3.37Å; K604-L608 PolarHBondContact O-N 2.85Å; V605-L608 PolarHBondContact O-N 2.88Å; L608-I611 PolarHBondContact O-N 3.26Å; L608-C612 PolarHBondContact O-N 3.39Å; L608-C612 PolarHBondContact O-SG 3.3Å; L608-A651 HydrophobicContact CD2-CB 4.16Å; L608-I655 HydrophobicContact CB-CD1 4.31Å; L608-I655 HydrophobicContact CB-CG1 3.92Å; L608-I655 HydrophobicContact CD1-CG1 4.3Å; L608-I658 HydrophobicContact CD1-CD1 3.54Å
609	L	69.4	Low	59.3	Low	43 Å²	43	80.5 Å²	80.5	23%	0.225	41%	0.413	C	S	.	.	H	α-helix	trans	-68.7	-36.7	174.2	-74.4	171.6	0	0	0	112.4	V605 Q606 Q607 I611 C612 S613 I655 T672 L676	V605-L609 HydrophobicContact CG1-CD1 3.97Å; V605-L609 HydrophobicContact CG1-CG 4.36Å; V605-L609 WeakPolarHBondContact O-CB 3.34Å; V605-L609 VanDerWaalsContact O-CG 3.24Å; V605-L609 WeakPolarHBondContact O-CG 3.21Å; V605-L609 PolarHBondContact O-N 3.39Å; Q606-L609 PolarHBondContact O-N 3.48Å; Q607-L609 VanDerWaalsContact C-N 3.33Å; Q607-L609 PolarHBondContact O-N 3.15Å; L609-I611 VanDerWaalsContact C-N 3.35Å; L609-C612 CarbonylContact O-C 3.59Å; L609-C612 PolarHBondContact O-N 3.27Å; L609-S613 WeakPolarHBondContact O-CB 3.4Å; L609-S613 PolarHBondContact O-N 3.23Å; L609-S613 PolarHBondContact O-OG 3.22Å; L609-I655 HydrophobicContact CD2-CD1 3.53Å; L609-I655 HydrophobicContact CG-CD1 3.94Å; L609-T672 HydrophobicContact CD1-CG2 4.05Å; L609-T672 HydrophobicContact CD2-CG2 3.42Å; L609-T672 VanDerWaalsContact CD2-CG2 3.42Å; L609-T672 HydrophobicContact CG-CG2 4.41Å; L609-L676 HydrophobicContact CD2-CD1 4.23Å
610	H	74.9	Confident	57.7	Low	112 Å²	112	86.3 Å²	86.3	52%	0.519	44%	0.441	S	S	.	.	H	α-helix	trans	-60.2	-47.8	173	-170.6	-85.1	0	0	0	110.5	Q606 Q607 C612 S613 E614	Q606-H610 PolarHBondContact O-N 3.31Å; Q607-H610 WeakPolarHBondContact O-CB 3.44Å; Q607-H610 PolarHBondContact O-N 2.94Å; H610-C612 VanDerWaalsContact C-N 3.28Å; H610-C612 PolarHBondContact O-N 3.46Å; H610-S613 WeakPolarHBondContact CA-OG 3.4Å; H610-S613 WeakPolarHBondContact O-CA 3.36Å; H610-S613 PolarHBondContact O-N 3.37Å; H610-S613 PolarHBondContact O-OG 3.32Å; H610-E614 IonicContact CE1-OE1 2.96Å; H610-E614 PolarHBondContact CE1-OE1 3.45Å; H610-E614 IonicContact ND1-OE1 3.4Å; H610-E614 PolarHBondContact ND1-OE1 3.49Å; H610-E614 PolarHBondContact O-N 2.93Å
611	I	67.6	Low	56.2	Low	44 Å²	44	95.1 Å²	95.1	23%	0.226	48%	0.476	C	S	.	.	H	α-helix	trans	-58	-39.5	174.3	-69.2	166.1	0	0	0	111.8	T589 Q607 L608 L609 S613 H647 A651	T589-I611 HydrophobicContact CG2-CD1 4.24Å; Q607-I611 WeakPolarHBondContact O-CG1 3.46Å; Q607-I611 PolarHBondContact O-N 3.47Å; L608-I611 PolarHBondContact O-N 3.26Å; L609-I611 VanDerWaalsContact C-N 3.35Å; I611-S613 VanDerWaalsContact C-N 3.27Å; I611-S613 PolarHBondContact O-N 2.88Å; I611-H647 WeakPolarHBondContact CG2-CE1 3.43Å; I611-A651 HydrophobicContact CG2-CB 4.3Å
612	C	59.4	Low	54.5	Low	10 Å²	10	100.1 Å²	100.1	7%	0.068	50%	0.503	C	S	.	.	H	α-helix	trans	-71.9	-19.9	175.9	-66.8	0	0	0	0	113.5	L608 L609 H610 L676	L608-C612 PolarHBondContact O-N 3.39Å; L608-C612 PolarHBondContact O-SG 3.3Å; L609-C612 CarbonylContact O-C 3.59Å; L609-C612 PolarHBondContact O-N 3.27Å; H610-C612 VanDerWaalsContact C-N 3.28Å; H610-C612 PolarHBondContact O-N 3.46Å; C612-L676 HydrophobicContact CB-CD2 4.2Å
613	S	59.7	Low	52.8	Low	70 Å²	70	104.9 Å²	104.9	49%	0.49	52%	0.516	S	S	.	.	H	α-helix	trans	-93.7	-18.2	-179.1	74	0	0	0	0	113.9	L609 H610 I611 H615	L609-S613 WeakPolarHBondContact O-CB 3.4Å; L609-S613 PolarHBondContact O-N 3.23Å; L609-S613 PolarHBondContact O-OG 3.22Å; H610-S613 WeakPolarHBondContact CA-OG 3.4Å; H610-S613 WeakPolarHBondContact O-CA 3.36Å; H610-S613 PolarHBondContact O-N 3.37Å; H610-S613 PolarHBondContact O-OG 3.32Å; I611-S613 VanDerWaalsContact C-N 3.27Å; I611-S613 PolarHBondContact O-N 2.88Å; S613-H615 PolarHBondContact O-N 3.2Å
614	E	58.9	Low	50.7	Low	77 Å²	77	106.7 Å²	106.7	36%	0.36	53%	0.526	S	S	.	.			trans	-68.4	99.6	172.6	-75.5	-179.1	-178.2	0	0	109.9	H610 Y616 Q648	H610-E614 IonicContact CE1-OE1 2.96Å; H610-E614 PolarHBondContact CE1-OE1 3.45Å; H610-E614 IonicContact ND1-OE1 3.4Å; H610-E614 PolarHBondContact ND1-OE1 3.49Å; H610-E614 PolarHBondContact O-N 2.93Å; E614-Y616 PolarHBondContact O-N 2.88Å; E614-Q648 PolarHBondContact O-NE2 3.48Å
615	H	46.1	Very low	48.6	Very low	121 Å²	121	113.6 Å²	113.6	56%	0.56	56%	0.559	S	S	*	*			trans	-72	108.6	165.4	-70.4	-69.9	0	0	0	108.6	S613 E617	S613-H615 PolarHBondContact O-N 3.2Å; H615-E617 VanDerWaalsContact C-N 3.32Å; H615-E617 PolarHBondContact O-N 2.99Å
616	Y	45.3	Very low	46.6	Very low	157 Å²	157	118.8 Å²	118.8	62%	0.616	59%	0.586	S	S	*	*			trans	-75.9	89.3	169.3	-90.9	-90.7	0	0	0	109	E614 A618	E614-Y616 PolarHBondContact O-N 2.88Å; Y616-A618 PolarHBondContact O-N 3.46Å
617	E	29.4	Very low	44.4	Very low	174 Å²	174	121.4 Å²	121.4	81%	0.813	60%	0.596	S	S	*	*			trans	-63.5	121.4	162.1	-72.7	-170.4	161.4	0	0	108.2	H615 K619	H615-E617 VanDerWaalsContact C-N 3.32Å; H615-E617 PolarHBondContact O-N 2.99Å; E617-K619 PolarHBondContact O-N 2.85Å
618	A	33.2	Very low	42.3	Very low	93 Å²	93	124.4 Å²	124.4	77%	0.769	62%	0.615	S	S	*	*			trans	-54.5	109	166.6	0	0	0	0	0	107.6	Y616 D620	Y616-A618 PolarHBondContact O-N 3.46Å; A618-D620 VanDerWaalsContact C-N 3.34Å; A618-D620 PolarHBondContact O-N 3.06Å
619	K	29.6	Very low	40.4	Very low	198 Å²	198	134.1 Å²	134.1	86%	0.861	66%	0.657	S	S	*	*			trans	-59.7	99.1	174	-86.5	-177.2	175.8	171.7	0	108.9	E617 K621	E617-K619 PolarHBondContact O-N 2.85Å; K619-K621 PolarHBondContact O-N 3.39Å; K619-K621 VanDerWaalsContact O-N 3.13Å
620	D	30.5	Very low	38.3	Very low	155 Å²	155	141 Å²	141	83%	0.829	69%	0.685	S	S	*	*			trans	-52.5	110.9	156.9	-88	-38	0	0	0	107.7	A618	A618-D620 VanDerWaalsContact C-N 3.34Å; A618-D620 PolarHBondContact O-N 3.06Å
621	K	29	Very low	35.9	Very low	199 Å²	199	143.1 Å²	143.1	87%	0.865	70%	0.7	S	S	*	*			trans	-91.1	118.3	163.6	-86.8	-174.6	177.6	177	0	108.2	K619	K619-K621 PolarHBondContact O-N 3.39Å; K619-K621 VanDerWaalsContact O-N 3.13Å
622	D	29.5	Very low	33.8	Very low	156 Å²	156	151.2 Å²	151.2	83%	0.834	73%	0.734	S	S	*	*			trans	-44.9	150.2	-176	-72.4	-57.7	0	0	0	116.7
623	K	29.4	Very low	32.1	Very low	190 Å²	190	160.2 Å²	160.2	83%	0.826	77%	0.772	S	S	*	*			trans	-63.9	130.7	163.6	-66.7	166.6	176.4	168.9	0	109.9
624	D	26	Very low	30.5	Very low	154 Å²	154	164.8 Å²	164.8	82%	0.824	79%	0.791	S	S	*	*				-173.7	138	117.6	-96.3	-23.6	0	0	0	114.5
625	E	25.6	Very low	28.7	Very low	181 Å²	181	170.8 Å²	170.8	85%	0.846	82%	0.816	S	S	*	*			trans	73	90	154.3	-61.5	-169.3	164.4	0	0	124.1
626	D	26.5	Very low	27.6	Very low	137 Å²	137	173 Å²	173	73%	0.733	83%	0.831	S	S	*	*				74.5	121.4	112	-113	8.9	0	0	0	125
627	K	24.1	Very low	26.8	Very low	170 Å²	170	175.1 Å²	175.1	74%	0.739	84%	0.844	S	S	*	*			trans	69.6	103.5	152.2	-66.7	173.2	-173	160.5	0	121.5
628	D	25	Very low	26.6	Very low	165 Å²	165	176.2 Å²	176.2	88%	0.882	85%	0.846	S	S	*	*				-163.7	136.6	90.7	-110.1	-28.1	0	0	0	113.9	K630	D628-K630 PolarHBondContact O-N 2.88Å
629	K	29.4	Very low	26.3	Very low	210 Å²	210	180.9 Å²	180.9	91%	0.913	85%	0.852	S	S	*	*			trans	-84.5	106.5	-177.1	-87.6	175.4	175.5	167	0	111.1
630	K	25.7	Very low	26.2	Very low	188 Å²	188	175.8 Å²	175.8	82%	0.817	84%	0.837	S	S	*	*			trans	-162.6	96.8	146.1	-155.9	174.9	-179.2	-176.8	0	109.7	D628	D628-K630 PolarHBondContact O-N 2.88Å
631	D	23.2	Very low	26.2	Very low	156 Å²	156	173.9 Å²	173.9	83%	0.834	83%	0.834	S	S	*	*			trans	155.6	83.8	152.1	-76.8	-18.5	0	0	0	109.9
632	K	25.3	Very low	26.6	Very low	214 Å²	214	167.2 Å²	167.2	93%	0.93	82%	0.816	S	S	*	*			trans	-100.7	70.3	176.1	-166.5	178.2	-176.7	177.1	0	108.8
633	K	23.7	Very low	27.2	Very low	200 Å²	200	162.6 Å²	162.6	87%	0.87	79%	0.791	S	S	*	*	S	Bend	trans	-162.6	23.1	162.7	-135.1	-176.2	-179.9	-175.3	0	117
634	D	24.4	Very low	27.8	Very low	166 Å²	166	158.4 Å²	158.4	89%	0.888	78%	0.776	S	S	*	*			trans	-152.3	66	175.8	-107.9	-32.7	0	0	0	112.3
635	K	22.7	Very low	29.1	Very low	202 Å²	202	151.3 Å²	151.3	88%	0.878	74%	0.738	S	S	*	*			trans	-144.3	50.7	176	-152.1	177.1	-175	174.5	0	112.6
636	D	23.1	Very low	30.6	Very low	167 Å²	167	143.5 Å²	143.5	89%	0.893	70%	0.704	S	S	*	*			trans	-133.5	43.6	169.6	-83	-37.5	0	0	0	111.6
637	K	26.6	Very low	32.3	Very low	202 Å²	202	138.7 Å²	138.7	88%	0.878	68%	0.677	S	S	*	*			trans	-123.8	69.7	161.1	-87.6	-176.2	176.1	176.9	0	109.2
638	K	25.2	Very low	34.1	Very low	198 Å²	198	131.3 Å²	131.3	86%	0.861	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-72.6	127.8	156.3	-82.7	-178.8	172.1	-175.1	0	107.1	T640	K638-T640 PolarHBondContact O-N 3.41Å
639	E	26.9	Very low	36	Very low	190 Å²	190	123.5 Å²	123.5	89%	0.888	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-51.7	127.3	170.4	-67.9	171.6	161.9	0	0	109.7
640	T	27.7	Very low	37.8	Very low	91 Å²	91	113.6 Å²	113.6	56%	0.558	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-81.8	131.2	-174.5	34.8	0	0	0	0	111.1	K638 A642	K638-T640 PolarHBondContact O-N 3.41Å; T640-A642 PolarHBondContact O-N 3.19Å
641	P	31.3	Very low	39.7	Very low	116 Å²	116	104.6 Å²	104.6	75%	0.753	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	10	173.2	26.3	-34.1	0	0	0	114.7
642	A	37.4	Very low	42	Very low	59 Å²	59	97.2 Å²	97.2	49%	0.488	48%	0.482	S	S	.	.	H	α-helix	trans	-79.9	-28.9	-179.5	0	0	0	0	0	113.1	T640	T640-A642 PolarHBondContact O-N 3.19Å
643	D	41	Very low	44.1	Very low	58 Å²	58	87.4 Å²	87.4	31%	0.31	44%	0.44	S	S	.	.	H	α-helix	trans	-81.1	-34.8	-174.3	-65.1	-31.8	0	0	0	112.1	S646	D643-S646 PolarHBondContact O-N 2.91Å; D643-S646 PolarHBondContact O-OG 2.86Å
644	M	43	Very low	46.2	Very low	103 Å²	103	77.9 Å²	77.9	51%	0.507	40%	0.398	S	S	.	.	H	α-helix	trans	-76.1	-21.7	174.5	-86.5	163.7	172.9	0	0	113.7	P582 S646 H647	P582-M644 HydrophobicContact CB-CE 4.26Å; P582-M644 HydrophobicContact CB-CG 4.41Å; M644-S646 VanDerWaalsContact C-N 3.28Å; M644-S646 PolarHBondContact O-N 3.14Å; M644-H647 WeakPolarHBondContact O-CB 3.39Å; M644-H647 PolarHBondContact O-N 3.5Å
645	G	53.2	Low	48.4	Very low	4 Å²	4	70 Å²	70	4%	0.041	36%	0.357	C	S	.	.	H	α-helix	trans	-69.9	-23.5	171.1	0	0	0	0	0	113.9	G649	G645-G649 PolarHBondContact O-N 2.91Å
646	S	56.8	Low	50.6	Low	18 Å²	18	60.4 Å²	60.4	13%	0.126	32%	0.315	C	S	.	.	H	α-helix	trans	-70.2	-33.5	176.1	74.2	0	0	0	0	112.3	F586 D643 M644 G649 V650	F586-S646 WeakPolarHBondContact CD2-OG 3.4Å; D643-S646 PolarHBondContact O-N 2.91Å; D643-S646 PolarHBondContact O-OG 2.86Å; M644-S646 VanDerWaalsContact C-N 3.28Å; M644-S646 PolarHBondContact O-N 3.14Å; S646-G649 PolarHBondContact O-N 3.46Å; S646-V650 WeakPolarHBondContact O-CG2 3.37Å; S646-V650 PolarHBondContact O-N 2.99Å
647	H	63.4	Low	52.7	Low	35 Å²	35	52.7 Å²	52.7	16%	0.162	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-48.5	173.9	-178.5	-104	0	0	0	111.7	S585 T589 I611 M644 G649 V650 A651	S585-H647 WeakPolarHBondContact CB-NE2 3.33Å; S585-H647 PolarHBondContact O-CD2 2.99Å; S585-H647 PolarHBondContact O-NE2 3.35Å; T589-H647 WeakPolarHBondContact CG2-NE2 3.42Å; T589-H647 PolarHBondContact OG1-CD2 3.16Å; I611-H647 WeakPolarHBondContact CG2-CE1 3.43Å; M644-H647 WeakPolarHBondContact O-CB 3.39Å; M644-H647 PolarHBondContact O-N 3.5Å; H647-G649 VanDerWaalsContact C-N 3.34Å; H647-V650 PolarHBondContact O-N 2.84Å; H647-A651 PolarHBondContact O-N 2.83Å
648	Q	61.8	Low	54.6	Low	15 Å²	15	43.1 Å²	43.1	7%	0.07	23%	0.232	C	C	.	.	H	α-helix	trans	-67.6	-35.7	176.9	-63.3	179.2	-26	0	0	111.7	E614 A651 V652 L684	E614-Q648 PolarHBondContact O-NE2 3.48Å; Q648-A651 PolarHBondContact O-N 3.15Å; Q648-V652 WeakPolarHBondContact O-CG2 3.33Å; Q648-V652 PolarHBondContact O-N 3.29Å; Q648-L684 HydrophobicContact CB-CD1 3.55Å; Q648-L684 HydrophobicContact CG-CD1 4.49Å
649	G	64.5	Low	56.6	Low	1 Å²	1	34 Å²	34	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-63.3	-40.4	174.4	0	0	0	0	0	113.4	G645 S646 H647 V652 L653	G645-G649 PolarHBondContact O-N 2.91Å; S646-G649 PolarHBondContact O-N 3.46Å; H647-G649 VanDerWaalsContact C-N 3.34Å; G649-V652 PolarHBondContact O-N 3.01Å; G649-L653 PolarHBondContact O-N 2.99Å; G649-L653 VanDerWaalsContact O-N 3.11Å
650	V	66.3	Low	58.3	Low	2 Å²	2	26 Å²	26	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-69.4	-39.5	173.7	167.6	0	0	0	0	111.7	F586 L590 I593 S646 H647 V652 L653 G654 L802	F586-V650 HydrophobicContact CD2-CG2 4Å; F586-V650 HydrophobicContact CE2-CB 4.2Å; F586-V650 HydrophobicContact CE2-CG2 3.24Å; F586-V650 HydrophobicContact CZ-CG2 3.71Å; L590-V650 HydrophobicContact CB-CG1 4.05Å; L590-V650 HydrophobicContact CD1-CG1 3.75Å; L590-V650 HydrophobicContact CG-CG1 4.48Å; I593-V650 HydrophobicContact CD1-CG1 3.86Å; I593-V650 WeakPolarHBondContact CD1-O 3.27Å; S646-V650 WeakPolarHBondContact O-CG2 3.37Å; S646-V650 PolarHBondContact O-N 2.99Å; H647-V650 PolarHBondContact O-N 2.84Å; V650-V652 VanDerWaalsContact C-N 3.28Å; V650-V652 PolarHBondContact O-N 3.22Å; V650-L653 PolarHBondContact O-N 2.93Å; V650-G654 PolarHBondContact O-N 3.44Å; V650-L802 HydrophobicContact CG2-CD1 3.86Å
651	A	66.3	Low	59.7	Low	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.6	-39.2	174.2	0	0	0	0	0	112.4	L608 I611 H647 Q648 G654 I655	L608-A651 HydrophobicContact CD2-CB 4.16Å; I611-A651 HydrophobicContact CG2-CB 4.3Å; H647-A651 PolarHBondContact O-N 2.83Å; Q648-A651 PolarHBondContact O-N 3.15Å; A651-G654 PolarHBondContact O-N 2.73Å; A651-I655 WeakPolarHBondContact O-CG1 3.13Å; A651-I655 PolarHBondContact O-N 2.94Å
652	V	71.1	Confident	61.2	Low	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68	-41.9	175.3	173	0	0	0	0	112.5	Q648 G649 V650 G654 I655 A656 F673 L676 L684 A687 V688 A691	Q648-V652 WeakPolarHBondContact O-CG2 3.33Å; Q648-V652 PolarHBondContact O-N 3.29Å; G649-V652 PolarHBondContact O-N 3.01Å; V650-V652 VanDerWaalsContact C-N 3.28Å; V650-V652 PolarHBondContact O-N 3.22Å; V652-G654 PolarHBondContact O-N 3.19Å; V652-I655 PolarHBondContact O-N 3.45Å; V652-A656 PolarHBondContact O-N 3.1Å; V652-F673 HydrophobicContact CG1-CD1 4.32Å; V652-F673 HydrophobicContact CG1-CE1 3.84Å; V652-F673 HydrophobicContact CG1-CZ 4.31Å; V652-L676 HydrophobicContact CG2-CD2 3.51Å; V652-L684 HydrophobicContact CG2-CD1 3.7Å; V652-L684 HydrophobicContact CG2-CG 3.92Å; V652-A687 HydrophobicContact CB-CB 4.29Å; V652-A687 HydrophobicContact CG1-CB 4.31Å; V652-V688 HydrophobicContact CG1-CB 4.5Å; V652-V688 HydrophobicContact CG1-CG2 3.81Å; V652-A691 HydrophobicContact CG1-CB 3.8Å
653	L	70.3	Confident	62.4	Low	8 Å²	8	21.4 Å²	21.4	4%	0.042	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-34.8	171.5	-72.4	172.6	0	0	0	111.3	G649 V650 A656 L657 L690 A691 L802	G649-L653 PolarHBondContact O-N 2.99Å; G649-L653 VanDerWaalsContact O-N 3.11Å; V650-L653 PolarHBondContact O-N 2.93Å; L653-A656 WeakPolarHBondContact O-CB 3.49Å; L653-A656 PolarHBondContact O-N 3.21Å; L653-L657 WeakPolarHBondContact O-CB 3.35Å; L653-L657 PolarHBondContact O-N 3.24Å; L653-L690 HydrophobicContact CD2-CB 3.89Å; L653-A691 HydrophobicContact CD2-CB 4.3Å; L653-L802 HydrophobicContact CD1-CD1 3.82Å; L653-L802 HydrophobicContact CD1-CD2 4.02Å; L653-L802 HydrophobicContact CD1-CG 4.03Å
654	G	67	Low	63.7	Low	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-70.3	-37.7	177.5	0	0	0	0	0	114.7	V650 A651 V652 A656 L657 I658	V650-G654 PolarHBondContact O-N 3.44Å; A651-G654 PolarHBondContact O-N 2.73Å; V652-G654 PolarHBondContact O-N 3.19Å; G654-A656 PolarHBondContact O-N 2.8Å; G654-L657 PolarHBondContact O-N 2.8Å; G654-I658 VanDerWaalsContact O-CG1 3.28Å; G654-I658 WeakPolarHBondContact O-CG1 3.48Å; G654-I658 PolarHBondContact O-N 3.31Å
655	I	70.8	Confident	64.8	Low	2 Å²	2	18.9 Å²	18.9	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-58	-41.6	170.3	-67.2	161.4	0	0	0	109.9	V605 L608 L609 A651 V652 A659 A669 F673	V605-I655 HydrophobicContact CG1-CG2 4.3Å; L608-I655 HydrophobicContact CB-CD1 4.31Å; L608-I655 HydrophobicContact CB-CG1 3.92Å; L608-I655 HydrophobicContact CD1-CG1 4.3Å; L609-I655 HydrophobicContact CD2-CD1 3.53Å; L609-I655 HydrophobicContact CG-CD1 3.94Å; A651-I655 WeakPolarHBondContact O-CG1 3.13Å; A651-I655 PolarHBondContact O-N 2.94Å; V652-I655 PolarHBondContact O-N 3.45Å; I655-A659 WeakPolarHBondContact O-CB 3.09Å; I655-A659 PolarHBondContact O-N 3.35Å; I655-A669 HydrophobicContact CG2-CB 4.18Å; I655-F673 HydrophobicContact CB-CE1 3.98Å; I655-F673 HydrophobicContact CB-CZ 4.05Å; I655-F673 HydrophobicContact CD1-CE1 4.47Å; I655-F673 HydrophobicContact CG2-CE1 3.72Å; I655-F673 HydrophobicContact CG2-CZ 3.79Å
656	A	68.9	Low	65.3	Low	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.2	-46.9	175.5	0	0	0	0	0	112.1	V652 L653 G654 A659 M660 F673 A691 L694 I695	V652-A656 PolarHBondContact O-N 3.1Å; L653-A656 WeakPolarHBondContact O-CB 3.49Å; L653-A656 PolarHBondContact O-N 3.21Å; G654-A656 PolarHBondContact O-N 2.8Å; A656-A659 CarbonylContact O-C 3.43Å; A656-A659 PolarHBondContact O-N 3.31Å; A656-M660 VanDerWaalsContact O-CG 3.28Å; A656-M660 WeakPolarHBondContact O-CG 3.4Å; A656-M660 PolarHBondContact O-N 2.99Å; A656-F673 HydrophobicContact CB-CE2 4.25Å; A656-F673 HydrophobicContact CB-CZ 4.09Å; A656-A691 HydrophobicContact CB-CB 3.71Å; A656-A691 WeakPolarHBondContact CB-O 3.29Å; A656-L694 HydrophobicContact CB-CB 4.41Å; A656-L694 HydrophobicContact CB-CD2 4.2Å; A656-I695 HydrophobicContact CB-CD1 3.93Å; A656-I695 HydrophobicContact CB-CG1 3.6Å
657	L	66.3	Low	65.9	Low	4 Å²	4	23.7 Å²	23.7	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-64.2	-41.1	-176.6	-166.9	159.9	0	0	0	112.6	I593 A597 L653 G654 M660 L694 L795	I593-L657 HydrophobicContact CG2-CB 4.34Å; I593-L657 HydrophobicContact CG2-CD1 4.14Å; I593-L657 HydrophobicContact CG2-CD2 4.45Å; A597-L657 HydrophobicContact CB-CD2 3.24Å; L653-L657 WeakPolarHBondContact O-CB 3.35Å; L653-L657 PolarHBondContact O-N 3.24Å; G654-L657 PolarHBondContact O-N 2.8Å; L657-M660 PolarHBondContact O-N 3.42Å; L657-L694 HydrophobicContact CB-CD2 4.04Å; L657-L795 HydrophobicContact CD1-CD1 3.7Å; L657-L795 HydrophobicContact CD1-CD2 3.53Å; L657-L795 HydrophobicContact CD1-CG 4.13Å
658	I	67.8	Low	66.2	Low	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-68	-40.2	174	-61.4	165.5	0	0	0	110.3	K604 V605 L608 G654 M660	K604-I658 HydrophobicContact CB-CD1 4.29Å; V605-I658 HydrophobicContact CG2-CB 4.18Å; V605-I658 HydrophobicContact CG2-CD1 4.35Å; V605-I658 HydrophobicContact CG2-CG2 3.73Å; L608-I658 HydrophobicContact CD1-CD1 3.54Å; G654-I658 VanDerWaalsContact O-CG1 3.28Å; G654-I658 WeakPolarHBondContact O-CG1 3.48Å; G654-I658 PolarHBondContact O-N 3.31Å; I658-M660 VanDerWaalsContact C-N 3.29Å; I658-M660 PolarHBondContact O-N 2.91Å
659	A	66.4	Low	66.5	Low	7 Å²	7	27.4 Å²	27.4	6%	0.058	15%	0.148	C	C	.	.	H	α-helix	trans	-76.8	-7.7	-179.5	0	0	0	0	0	114.7	I655 A656 G661 E662 S666 A669	I655-A659 WeakPolarHBondContact O-CB 3.09Å; I655-A659 PolarHBondContact O-N 3.35Å; A656-A659 CarbonylContact O-C 3.43Å; A656-A659 PolarHBondContact O-N 3.31Å; A659-G661 VanDerWaalsContact C-N 3.25Å; A659-G661 PolarHBondContact O-N 3.42Å; A659-E662 VanDerWaalsContact O-O 3.12Å; A659-S666 PolarHBondContact O-N 3.18Å; A659-A669 HydrophobicContact CB-CB 3.83Å
660	M	62.4	Low	66.9	Low	21 Å²	21	29.5 Å²	29.5	10%	0.103	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.4	177.8	-79.6	179.8	88.7	0	0	113	A656 L657 I658 E662 L694 P778 Y779	A656-M660 VanDerWaalsContact O-CG 3.28Å; A656-M660 WeakPolarHBondContact O-CG 3.4Å; A656-M660 PolarHBondContact O-N 2.99Å; L657-M660 PolarHBondContact O-N 3.42Å; I658-M660 VanDerWaalsContact C-N 3.29Å; I658-M660 PolarHBondContact O-N 2.91Å; M660-E662 VanDerWaalsContact C-N 3.34Å; M660-L694 HydrophobicContact CE-CD1 3.8Å; M660-L694 HydrophobicContact CE-CG 4.28Å; M660-L694 WeakPolarHBondContact CE-O 3.49Å; M660-L694 HydrophobicContact CG-CG 4.34Å; M660-L694 HydrophobicContact SD-CD1 3.4Å; M660-L694 WeakPolarHBondContact SD-CD1 3.44Å; M660-L694 HydrophobicContact SD-CD2 4.17Å; M660-L694 HydrophobicContact SD-CG 3.45Å; M660-L694 WeakPolarHBondContact SD-CG 3.07Å; M660-P778 HydrophobicContact CE-CB 4.44Å; M660-P778 HydrophobicContact CE-CG 3.8Å; M660-Y779 HydrophobicContact CB-CE2 3.78Å; M660-Y779 WeakPolarHBondContact CB-OH 3.48Å; M660-Y779 HydrophobicContact CE-CD2 4.27Å; M660-Y779 HydrophobicContact CE-CE2 3.73Å; M660-Y779 HydrophobicContact SD-CE2 4.41Å
661	G	57.6	Low	67.2	Low	27 Å²	27	38.3 Å²	38.3	28%	0.278	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.5	-177.4	0	0	0	0	0	114	A659 Y779	A659-G661 VanDerWaalsContact C-N 3.25Å; A659-G661 PolarHBondContact O-N 3.42Å; G661-Y779 PolarHBondContact N-OH 2.94Å
662	E	63.8	Low	67.5	Low	45 Å²	45	40.3 Å²	40.3	21%	0.21	20%	0.204	C	C	.	.			trans	-129.5	136.9	-173.8	-66.6	-174.8	176	0	0	112.9	A659 M660 I664 G665 S666	A659-E662 VanDerWaalsContact O-O 3.12Å; M660-E662 VanDerWaalsContact C-N 3.34Å; E662-I664 PolarHBondContact O-N 3.41Å; E662-G665 PolarHBondContact O-N 2.94Å; E662-S666 WeakPolarHBondContact O-CB 3.12Å; E662-S666 PolarHBondContact O-N 2.66Å
663	E	62.3	Low	67.5	Low	98 Å²	98	40.4 Å²	40.4	46%	0.458	20%	0.204	S	C	.	.	H	α-helix	trans	-65.4	-39.8	175.9	-177	154.1	-145.1	0	0	112	S666 E667 R701 R783	E663-S666 PolarHBondContact O-N 3.13Å; E663-S666 PolarHBondContact O-OG 3.43Å; E663-E667 PolarHBondContact O-N 2.86Å; E663-E667 VanDerWaalsContact O-N 3.09Å; E663-R701 IonicContact OE1-CZ 3.03Å; E663-R701 IonicContact OE1-NH2 2.82Å; E663-R701 PolarHBondContact OE1-NH2 3.03Å; E663-R783 IonicContact OE1-NH1 3.89Å; E663-R783 IonicContact OE2-NH1 2.96Å
664	I	68.2	Low	67.5	Low	92 Å²	92	41.4 Å²	41.4	47%	0.472	22%	0.216	S	C	.	.	H	α-helix	trans	-66.8	-46.1	177.9	-57.7	172.7	0	0	0	110.2	E662 S666 E667 M668	E662-I664 PolarHBondContact O-N 3.41Å; I664-S666 VanDerWaalsContact C-N 3.3Å; I664-S666 PolarHBondContact O-N 2.85Å; I664-E667 PolarHBondContact O-N 3.39Å; I664-M668 HydrophobicContact CG2-CE 3.62Å; I664-M668 HydrophobicContact CG2-CG 4.49Å; I664-M668 HydrophobicContact CG2-SD 4.34Å; I664-M668 WeakPolarHBondContact O-CG 3.43Å; I664-M668 PolarHBondContact O-N 3.05Å
665	G	64.7	Low	67.7	Low	16 Å²	16	46 Å²	46	17%	0.165	24%	0.237	C	C	.	.	H	α-helix	trans	-56.9	-43.2	173.9	0	0	0	0	0	112.1	E662 E667 M668 A669	E662-G665 PolarHBondContact O-N 2.94Å; G665-E667 PolarHBondContact O-N 3.33Å; G665-M668 PolarHBondContact O-N 2.74Å; G665-A669 VanDerWaalsContact O-CB 3.27Å; G665-A669 WeakPolarHBondContact O-CB 3.22Å; G665-A669 PolarHBondContact O-N 2.84Å
666	S	64.6	Low	67.5	Low	12 Å²	12	47 Å²	47	8%	0.084	24%	0.243	C	C	.	.	H	α-helix	trans	-60.7	-43.3	176.8	82	0	0	0	0	112.5	A659 E662 E663 I664 A669 L670	A659-S666 PolarHBondContact O-N 3.18Å; E662-S666 WeakPolarHBondContact O-CB 3.12Å; E662-S666 PolarHBondContact O-N 2.66Å; E663-S666 PolarHBondContact O-N 3.13Å; E663-S666 PolarHBondContact O-OG 3.43Å; I664-S666 VanDerWaalsContact C-N 3.3Å; I664-S666 PolarHBondContact O-N 2.85Å; S666-A669 PolarHBondContact O-N 2.93Å; S666-L670 VanDerWaalsContact O-CG 3.26Å; S666-L670 WeakPolarHBondContact O-CG 3.24Å; S666-L670 PolarHBondContact O-N 3.43Å
667	E	69.3	Low	67.3	Low	111 Å²	111	48.4 Å²	48.4	52%	0.519	25%	0.25	S	S	.	.	H	α-helix	trans	-70.9	-38.4	178.9	-70.5	-167.3	167.7	0	0	112.6	E663 I664 G665 L670 R671 R701	E663-E667 PolarHBondContact O-N 2.86Å; E663-E667 VanDerWaalsContact O-N 3.09Å; I664-E667 PolarHBondContact O-N 3.39Å; G665-E667 PolarHBondContact O-N 3.33Å; E667-L670 PolarHBondContact O-N 3.09Å; E667-R671 PolarHBondContact O-N 3.22Å; E667-R671 VanDerWaalsContact O-N 3.13Å; E667-R701 IonicContact OE1-NH1 3.93Å
668	M	70.2	Confident	67.4	Low	124 Å²	124	57.8 Å²	57.8	61%	0.611	29%	0.285	S	S	*	.	H	α-helix	trans	-64.1	-41.8	173	-70.4	-171.5	-175.8	0	0	111.5	I664 G665 R671 T672	I664-M668 HydrophobicContact CG2-CE 3.62Å; I664-M668 HydrophobicContact CG2-CG 4.49Å; I664-M668 HydrophobicContact CG2-SD 4.34Å; I664-M668 WeakPolarHBondContact O-CG 3.43Å; I664-M668 PolarHBondContact O-N 3.05Å; G665-M668 PolarHBondContact O-N 2.74Å; M668-R671 PolarHBondContact O-N 2.63Å; M668-T672 WeakPolarHBondContact O-CB 3.32Å; M668-T672 PolarHBondContact O-N 2.79Å; M668-T672 PolarHBondContact O-OG1 3.42Å
669	A	68.3	Low	67.2	Low	5 Å²	5	66 Å²	66	4%	0.041	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-43.5	175	0	0	0	0	0	111.4	I655 A659 G665 S666 R671 T672 F673 I695	I655-A669 HydrophobicContact CG2-CB 4.18Å; A659-A669 HydrophobicContact CB-CB 3.83Å; G665-A669 VanDerWaalsContact O-CB 3.27Å; G665-A669 WeakPolarHBondContact O-CB 3.22Å; G665-A669 PolarHBondContact O-N 2.84Å; S666-A669 PolarHBondContact O-N 2.93Å; A669-R671 VanDerWaalsContact C-N 3.33Å; A669-R671 PolarHBondContact O-N 3.17Å; A669-T672 PolarHBondContact O-N 3.12Å; A669-T672 VanDerWaalsContact O-N 3.12Å; A669-F673 HydrophobicContact CB-CE2 4.3Å; A669-F673 HydrophobicContact CB-CZ 4.49Å; A669-F673 WeakPolarHBondContact O-CB 3.5Å; A669-F673 WeakPolarHBondContact O-CD2 3.41Å; A669-F673 WeakPolarHBondContact O-CG 3.44Å; A669-F673 PolarHBondContact O-N 2.7Å; A669-I695 HydrophobicContact CB-CD1 3.85Å
670	L	71.8	Confident	66.9	Low	44 Å²	44	66.3 Å²	66.3	23%	0.23	32%	0.321	C	S	.	.	H	α-helix	trans	-56.4	-44.7	175.3	-73.5	178.1	0	0	0	112.4	S666 E667 G674 L692 I704	S666-L670 VanDerWaalsContact O-CG 3.26Å; S666-L670 WeakPolarHBondContact O-CG 3.24Å; S666-L670 PolarHBondContact O-N 3.43Å; E667-L670 PolarHBondContact O-N 3.09Å; L670-G674 PolarHBondContact O-N 3.38Å; L670-G674 VanDerWaalsContact O-N 3.14Å; L670-L692 HydrophobicContact CD2-CD2 3.18Å; L670-I704 HydrophobicContact CD1-CD1 4.04Å; L670-I704 HydrophobicContact CD1-CG1 4.2Å; L670-I704 HydrophobicContact CD2-CD1 3.99Å; L670-I704 HydrophobicContact CD2-CG1 4.08Å
671	R	73.4	Confident	67.1	Low	188 Å²	188	68.5 Å²	68.5	71%	0.709	33%	0.331	S	S	*	.	H	α-helix	trans	-64.8	-42.8	176.4	-179.7	176.8	163.6	178.4	-7.7	111.3	E667 M668 A669 G674 H675	E667-R671 PolarHBondContact O-N 3.22Å; E667-R671 VanDerWaalsContact O-N 3.13Å; M668-R671 PolarHBondContact O-N 2.63Å; A669-R671 VanDerWaalsContact C-N 3.33Å; A669-R671 PolarHBondContact O-N 3.17Å; R671-G674 WeakPolarHBondContact O-CA 3.33Å; R671-G674 PolarHBondContact O-N 2.9Å; R671-G674 VanDerWaalsContact O-N 3.15Å; R671-H675 PolarHBondContact O-CD2 3.31Å; R671-H675 VanDerWaalsContact O-CD2 3.31Å; R671-H675 PolarHBondContact O-N 3.47Å
672	T	72.6	Confident	67.5	Low	42 Å²	42	70.2 Å²	70.2	26%	0.258	34%	0.337	S	S	.	.	H	α-helix	trans	-68.3	-39.7	-177.5	-53.2	0	0	0	0	111.7	L609 M668 A669 G674 H675 L676	L609-T672 HydrophobicContact CD1-CG2 4.05Å; L609-T672 HydrophobicContact CD2-CG2 3.42Å; L609-T672 VanDerWaalsContact CD2-CG2 3.42Å; L609-T672 HydrophobicContact CG-CG2 4.41Å; M668-T672 WeakPolarHBondContact O-CB 3.32Å; M668-T672 PolarHBondContact O-N 2.79Å; M668-T672 PolarHBondContact O-OG1 3.42Å; A669-T672 PolarHBondContact O-N 3.12Å; A669-T672 VanDerWaalsContact O-N 3.12Å; T672-G674 VanDerWaalsContact C-N 3.27Å; T672-G674 PolarHBondContact O-N 3.36Å; T672-H675 WeakPolarHBondContact O-CA 3.27Å; T672-H675 WeakPolarHBondContact O-CB 3.21Å; T672-H675 PolarHBondContact O-N 3.03Å; T672-L676 HydrophobicContact CG2-CD1 4.48Å; T672-L676 PolarHBondContact O-N 2.84Å
673	F	71.3	Confident	67.6	Low	1 Å²	1	69.6 Å²	69.6	0%	0.004	34%	0.336	C	S	.	.	H	α-helix	trans	-60.1	-36.1	169.8	-68	-22.2	0	0	0	112.3	V652 I655 A656 A669 H675 L676 L677 V688 A691 L692 I695	V652-F673 HydrophobicContact CG1-CD1 4.32Å; V652-F673 HydrophobicContact CG1-CE1 3.84Å; V652-F673 HydrophobicContact CG1-CZ 4.31Å; I655-F673 HydrophobicContact CB-CE1 3.98Å; I655-F673 HydrophobicContact CB-CZ 4.05Å; I655-F673 HydrophobicContact CD1-CE1 4.47Å; I655-F673 HydrophobicContact CG2-CE1 3.72Å; I655-F673 HydrophobicContact CG2-CZ 3.79Å; A656-F673 HydrophobicContact CB-CE2 4.25Å; A656-F673 HydrophobicContact CB-CZ 4.09Å; A669-F673 HydrophobicContact CB-CE2 4.3Å; A669-F673 HydrophobicContact CB-CZ 4.49Å; A669-F673 WeakPolarHBondContact O-CB 3.5Å; A669-F673 WeakPolarHBondContact O-CD2 3.41Å; A669-F673 WeakPolarHBondContact O-CG 3.44Å; A669-F673 PolarHBondContact O-N 2.7Å; F673-H675 PolarHBondContact O-N 3.46Å; F673-L676 PolarHBondContact O-N 3.03Å; F673-L677 WeakPolarHBondContact O-CB 3.28Å; F673-L677 WeakPolarHBondContact O-CD1 3.4Å; F673-L677 WeakPolarHBondContact O-CG 3.45Å; F673-L677 PolarHBondContact O-N 2.82Å; F673-V688 HydrophobicContact CB-CG1 3.84Å; F673-V688 HydrophobicContact CG-CG1 4.19Å; F673-A691 HydrophobicContact CE2-CB 3.78Å; F673-A691 HydrophobicContact CZ-CB 3.77Å; F673-L692 HydrophobicContact CD2-CD2 3.83Å; F673-L692 HydrophobicContact CD2-CG 4.4Å; F673-I695 HydrophobicContact CD2-CD1 4.24Å; F673-I695 HydrophobicContact CE2-CD1 3.49Å; F673-I695 VanDerWaalsContact CE2-CD1 3.49Å; F673-I695 HydrophobicContact CZ-CD1 4.33Å
674	G	70.2	Confident	67.8	Low	29 Å²	29	65.1 Å²	65.1	30%	0.299	32%	0.316	S	S	.	.	H	α-helix	trans	-58.7	-32.8	171.1	0	0	0	0	0	114.2	L670 R671 T672 R678	L670-G674 PolarHBondContact O-N 3.38Å; L670-G674 VanDerWaalsContact O-N 3.14Å; R671-G674 WeakPolarHBondContact O-CA 3.33Å; R671-G674 PolarHBondContact O-N 2.9Å; R671-G674 VanDerWaalsContact O-N 3.15Å; T672-G674 VanDerWaalsContact C-N 3.27Å; T672-G674 PolarHBondContact O-N 3.36Å; G674-R678 WeakPolarHBondContact O-CG 3.45Å
675	H	70.4	Confident	67.8	Low	96 Å²	96	65 Å²	65	44%	0.444	31%	0.309	S	S	.	.	H	α-helix	trans	-79.4	-44.9	173.6	-74.4	-86.3	0	0	0	111.9	R671 T672 F673 L677 R678 Y679	R671-H675 PolarHBondContact O-CD2 3.31Å; R671-H675 VanDerWaalsContact O-CD2 3.31Å; R671-H675 PolarHBondContact O-N 3.47Å; T672-H675 WeakPolarHBondContact O-CA 3.27Å; T672-H675 WeakPolarHBondContact O-CB 3.21Å; T672-H675 PolarHBondContact O-N 3.03Å; F673-H675 PolarHBondContact O-N 3.46Å; H675-L677 PolarHBondContact O-N 3.29Å; H675-R678 PolarHBondContact O-N 3.06Å; H675-R678 VanDerWaalsContact O-N 3.07Å; H675-Y679 WeakPolarHBondContact O-CD2 3.35Å; H675-Y679 PolarHBondContact O-N 3.37Å
676	L	66.3	Low	68.2	Low	24 Å²	24	67.6 Å²	67.6	13%	0.126	31%	0.314	C	S	.	.	H	α-helix	trans	-57	-35.5	175.6	-112.5	72.9	0	0	0	112.4	L609 C612 V652 T672 F673 G680 L684	L609-L676 HydrophobicContact CD2-CD1 4.23Å; C612-L676 HydrophobicContact CB-CD2 4.2Å; V652-L676 HydrophobicContact CG2-CD2 3.51Å; T672-L676 HydrophobicContact CG2-CD1 4.48Å; T672-L676 PolarHBondContact O-N 2.84Å; F673-L676 PolarHBondContact O-N 3.03Å; L676-G680 WeakPolarHBondContact O-CA 3.46Å; L676-G680 PolarHBondContact O-N 3.1Å; L676-L684 HydrophobicContact CB-CD2 4.02Å; L676-L684 HydrophobicContact CD2-CD2 3.52Å; L676-L684 HydrophobicContact CD2-CG 4.02Å; L676-L684 HydrophobicContact CG-CD2 3.42Å; L676-L684 VanDerWaalsContact CG-CD2 3.42Å; L676-L684 HydrophobicContact CG-CG 4.4Å
677	L	65.4	Low	68.4	Low	30 Å²	30	67 Å²	67	16%	0.157	31%	0.31	C	S	.	.	H	α-helix	trans	-69.2	-31	177.2	-76.8	164.5	0	0	0	113.9	F673 H675 R685 V688 F711	F673-L677 WeakPolarHBondContact O-CB 3.28Å; F673-L677 WeakPolarHBondContact O-CD1 3.4Å; F673-L677 WeakPolarHBondContact O-CG 3.45Å; F673-L677 PolarHBondContact O-N 2.82Å; H675-L677 PolarHBondContact O-N 3.29Å; L677-R685 HydrophobicContact CD2-CG 4.48Å; L677-V688 HydrophobicContact CD1-CB 4.5Å; L677-V688 HydrophobicContact CD1-CG1 3.6Å; L677-V688 HydrophobicContact CD2-CB 3.64Å; L677-V688 HydrophobicContact CD2-CG1 3.67Å; L677-V688 HydrophobicContact CD2-CG2 4.02Å; L677-V688 HydrophobicContact CG-CB 4.01Å; L677-V688 HydrophobicContact CG-CG1 3.59Å; L677-V688 HydrophobicContact CG-CG2 4.1Å; L677-F711 HydrophobicContact CD1-CE1 4.19Å; L677-F711 HydrophobicContact CD1-CE2 3.71Å; L677-F711 HydrophobicContact CD1-CZ 3.4Å; L677-F711 VanDerWaalsContact CD1-CZ 3.4Å; L677-F711 HydrophobicContact CD2-CZ 4.47Å; L677-F711 HydrophobicContact CG-CZ 4.47Å
678	R	68.7	Low	68.5	Low	201 Å²	201	61.8 Å²	61.8	76%	0.758	29%	0.286	S	S	*	.	H	α-helix	trans	-82.4	-33	-177.8	-71.1	178.9	-175	-171.4	3.5	112.6	G674 H675	G674-R678 WeakPolarHBondContact O-CG 3.45Å; H675-R678 PolarHBondContact O-N 3.06Å; H675-R678 VanDerWaalsContact O-N 3.07Å
679	Y	64.2	Low	68.7	Low	174 Å²	174	55.9 Å²	55.9	68%	0.682	26%	0.256	S	S	*	.	H	α-helix	trans	-115	-8.5	-172.3	-62.6	-76.7	0	0	0	113.6	H675	H675-Y679 WeakPolarHBondContact O-CD2 3.35Å; H675-Y679 PolarHBondContact O-N 3.37Å
680	G	60	Low	68.8	Low	12 Å²	12	55.6 Å²	55.6	12%	0.124	26%	0.255	C	S	.	.	S	Bend	trans	-83.1	155.1	-175.3	0	0	0	0	0	115.5	L676 R685	L676-G680 WeakPolarHBondContact O-CA 3.46Å; L676-G680 PolarHBondContact O-N 3.1Å; G680-R685 PolarHBondContact O-NE 3.48Å; G680-R685 VanDerWaalsContact O-NE 3.16Å
681	E	66	Low	68.7	Low	68 Å²	68	53.5 Å²	53.5	32%	0.318	24%	0.244	S	C	.	.			trans	-60.2	160.7	174.2	-68.8	-169.9	178.8	0	0	112.6	T683 L684 R685	E681-T683 PolarHBondContact O-N 3Å; E681-T683 VanDerWaalsContact O-N 3.17Å; E681-L684 WeakPolarHBondContact O-CB 3.12Å; E681-L684 PolarHBondContact O-N 3.35Å; E681-R685 PolarHBondContact O-N 3.02Å
682	P	66.5	Low	68.6	Low	62 Å²	62	44.8 Å²	44.8	40%	0.403	21%	0.211	S	C	.	.	H	α-helix	trans	-53.9	-33	178	-26.6	35.2	0	0	0	114.3	R685 R686	P682-R685 PolarHBondContact O-N 2.95Å; P682-R686 WeakPolarHBondContact O-CD 3.36Å; P682-R686 VanDerWaalsContact O-CG 3.22Å; P682-R686 WeakPolarHBondContact O-CG 3.41Å; P682-R686 PolarHBondContact O-N 3.04Å; P682-R686 VanDerWaalsContact O-N 3.1Å
683	T	65.3	Low	68.5	Low	33 Å²	33	42.8 Å²	42.8	20%	0.202	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-44	175.7	44.6	0	0	0	0	111.9	E681 R686 A687	E681-T683 PolarHBondContact O-N 3Å; E681-T683 VanDerWaalsContact O-N 3.17Å; T683-R686 WeakPolarHBondContact O-CB 3.47Å; T683-R686 PolarHBondContact O-N 3.35Å; T683-A687 PolarHBondContact O-N 2.96Å
684	L	67.4	Low	68.4	Low	4 Å²	4	42.9 Å²	42.9	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-44.2	173.3	-138.6	78.5	0	0	0	111.4	Q648 V652 L676 E681 R686 A687 V688	Q648-L684 HydrophobicContact CB-CD1 3.55Å; Q648-L684 HydrophobicContact CG-CD1 4.49Å; V652-L684 HydrophobicContact CG2-CD1 3.7Å; V652-L684 HydrophobicContact CG2-CG 3.92Å; L676-L684 HydrophobicContact CB-CD2 4.02Å; L676-L684 HydrophobicContact CD2-CD2 3.52Å; L676-L684 HydrophobicContact CD2-CG 4.02Å; L676-L684 HydrophobicContact CG-CD2 3.42Å; L676-L684 VanDerWaalsContact CG-CD2 3.42Å; L676-L684 HydrophobicContact CG-CG 4.4Å; E681-L684 WeakPolarHBondContact O-CB 3.12Å; E681-L684 PolarHBondContact O-N 3.35Å; L684-R686 PolarHBondContact O-N 3.13Å; L684-A687 PolarHBondContact O-N 3.42Å; L684-A687 VanDerWaalsContact O-N 3.12Å; L684-V688 WeakPolarHBondContact O-CG2 3.39Å; L684-V688 PolarHBondContact O-N 3.25Å; L684-V688 VanDerWaalsContact O-N 3.1Å
685	R	68.4	Low	68.4	Low	90 Å²	90	42.5 Å²	42.5	34%	0.34	19%	0.19	S	C	.	.	H	α-helix	trans	-62.2	-26.6	177.1	-74.2	-174.6	-91.4	158	-6.4	113.2	L677 G680 E681 P682 P689 V719	L677-R685 HydrophobicContact CD2-CG 4.48Å; G680-R685 PolarHBondContact O-NE 3.48Å; G680-R685 VanDerWaalsContact O-NE 3.16Å; E681-R685 PolarHBondContact O-N 3.02Å; P682-R685 PolarHBondContact O-N 2.95Å; R685-P689 VanDerWaalsContact O-CD 3.25Å; R685-P689 WeakPolarHBondContact O-CD 3.24Å; R685-V719 HydrophobicContact CB-CG2 4.25Å
686	R	71.2	Confident	68.1	Low	69 Å²	69	38.1 Å²	38.1	26%	0.26	17%	0.17	S	C	.	.	H	α-helix	trans	-78.1	-32.5	174	-68.2	162	-168.7	-166.2	-9	113.2	P682 T683 L684 D716 E718 V719 N722	P682-R686 WeakPolarHBondContact O-CD 3.36Å; P682-R686 VanDerWaalsContact O-CG 3.22Å; P682-R686 WeakPolarHBondContact O-CG 3.41Å; P682-R686 PolarHBondContact O-N 3.04Å; P682-R686 VanDerWaalsContact O-N 3.1Å; T683-R686 WeakPolarHBondContact O-CB 3.47Å; T683-R686 PolarHBondContact O-N 3.35Å; L684-R686 PolarHBondContact O-N 3.13Å; R686-D716 IonicContact CZ-OD2 3.06Å; R686-D716 IonicContact NE-OD2 2.84Å; R686-D716 PolarHBondContact NE-OD2 2.87Å; R686-D716 IonicContact NH2-OD1 3.39Å; R686-D716 IonicContact NH2-OD2 3.04Å; R686-D716 PolarHBondContact NH2-OD2 3.27Å; R686-E718 WeakPolarHBondContact CD-OE2 3.4Å; R686-E718 HydrophobicContact CG-CB 4.11Å; R686-E718 IonicContact CZ-OE1 3.9Å; R686-E718 IonicContact CZ-OE2 3.68Å; R686-E718 IonicContact NE-OE2 3.65Å; R686-E718 PolarHBondContact NE-OE2 3.01Å; R686-E718 IonicContact NH1-OE1 2.9Å; R686-E718 IonicContact NH1-OE2 2.97Å; R686-E718 PolarHBondContact NH1-OE2 3.38Å; R686-E718 IonicContact NH2-OE1 3.82Å; R686-E718 IonicContact NH2-OE2 3.38Å; R686-V719 HydrophobicContact CB-CG2 4.46Å; R686-V719 HydrophobicContact CG-CG2 3.59Å; R686-N722 PolarHBondContact O-ND2 3.5Å
687	A	69.3	Low	68.1	Low	1 Å²	1	37.5 Å²	37.5	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-82.9	-32.3	-177.2	0	0	0	0	0	113.5	V652 T683 L684 L690 A691 L802	V652-A687 HydrophobicContact CB-CB 4.29Å; V652-A687 HydrophobicContact CG1-CB 4.31Å; T683-A687 PolarHBondContact O-N 2.96Å; L684-A687 PolarHBondContact O-N 3.42Å; L684-A687 VanDerWaalsContact O-N 3.12Å; A687-L690 WeakPolarHBondContact O-CB 3.46Å; A687-L690 PolarHBondContact O-N 2.81Å; A687-L690 VanDerWaalsContact O-N 3.11Å; A687-A691 PolarHBondContact O-N 3.26Å; A687-L802 HydrophobicContact CB-CD2 4.27Å
688	V	72.2	Confident	67.9	Low	0 Å²	0	36 Å²	36	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.1	-43.7	-176.8	172.3	0	0	0	0	113.9	V652 F673 L677 L684 L690 A691 L692	V652-V688 HydrophobicContact CG1-CB 4.5Å; V652-V688 HydrophobicContact CG1-CG2 3.81Å; F673-V688 HydrophobicContact CB-CG1 3.84Å; F673-V688 HydrophobicContact CG-CG1 4.19Å; L677-V688 HydrophobicContact CD1-CB 4.5Å; L677-V688 HydrophobicContact CD1-CG1 3.6Å; L677-V688 HydrophobicContact CD2-CB 3.64Å; L677-V688 HydrophobicContact CD2-CG1 3.67Å; L677-V688 HydrophobicContact CD2-CG2 4.02Å; L677-V688 HydrophobicContact CG-CB 4.01Å; L677-V688 HydrophobicContact CG-CG1 3.59Å; L677-V688 HydrophobicContact CG-CG2 4.1Å; L684-V688 WeakPolarHBondContact O-CG2 3.39Å; L684-V688 PolarHBondContact O-N 3.25Å; L684-V688 VanDerWaalsContact O-N 3.1Å; V688-L690 PolarHBondContact O-N 3.42Å; V688-A691 WeakPolarHBondContact O-CB 3.14Å; V688-A691 PolarHBondContact O-N 3.19Å; V688-A691 VanDerWaalsContact O-N 3.17Å; V688-L692 HydrophobicContact CG1-CD1 4.13Å; V688-L692 HydrophobicContact CG1-CG 4.2Å; V688-L692 WeakPolarHBondContact O-CG 3.45Å; V688-L692 PolarHBondContact O-N 3.34Å
689	P	73.6	Confident	67.8	Low	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.4	-35.1	176.6	-24.5	34.1	0	0	0	113.5	R685 L692 A693 L708 N722 S723 A726	R685-P689 VanDerWaalsContact O-CD 3.25Å; R685-P689 WeakPolarHBondContact O-CD 3.24Å; P689-L692 PolarHBondContact O-N 2.93Å; P689-A693 PolarHBondContact O-N 3.39Å; P689-L708 HydrophobicContact CB-CD2 3.89Å; P689-N722 HydrophobicContact CB-CB 4.42Å; P689-S723 WeakPolarHBondContact CG-OG 3.15Å; P689-A726 HydrophobicContact CB-CB 4.21Å; P689-A726 WeakPolarHBondContact O-CB 3.27Å
690	L	70.5	Confident	67.8	Low	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-70.4	-39.7	176.5	-59.2	174.3	0	0	0	111.4	L653 A687 V688 A693 L694 N722 F725 L798 F801	L653-L690 HydrophobicContact CD2-CB 3.89Å; A687-L690 WeakPolarHBondContact O-CB 3.46Å; A687-L690 PolarHBondContact O-N 2.81Å; A687-L690 VanDerWaalsContact O-N 3.11Å; V688-L690 PolarHBondContact O-N 3.42Å; L690-A693 WeakPolarHBondContact O-CB 3.28Å; L690-A693 PolarHBondContact O-N 3.23Å; L690-L694 PolarHBondContact O-N 3.01Å; L690-N722 HydrophobicContact CD2-CB 4.11Å; L690-N722 HydrophobicContact CG-CB 4.15Å; L690-F725 HydrophobicContact CD2-CD1 4.3Å; L690-L798 HydrophobicContact CB-CD2 3.91Å; L690-L798 HydrophobicContact CD2-CD2 4.29Å; L690-F801 HydrophobicContact CD1-CB 3.55Å; L690-F801 HydrophobicContact CD2-CB 3.67Å; L690-F801 HydrophobicContact CD2-CG 4.1Å; L690-F801 HydrophobicContact CG-CB 4.27Å
691	A	70	Confident	68.2	Low	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.8	-39.7	173.7	0	0	0	0	0	111.9	V652 L653 A656 F673 A687 V688 A693 L694 I695	V652-A691 HydrophobicContact CG1-CB 3.8Å; L653-A691 HydrophobicContact CD2-CB 4.3Å; A656-A691 HydrophobicContact CB-CB 3.71Å; A656-A691 WeakPolarHBondContact CB-O 3.29Å; F673-A691 HydrophobicContact CE2-CB 3.78Å; F673-A691 HydrophobicContact CZ-CB 3.77Å; A687-A691 PolarHBondContact O-N 3.26Å; V688-A691 WeakPolarHBondContact O-CB 3.14Å; V688-A691 PolarHBondContact O-N 3.19Å; V688-A691 VanDerWaalsContact O-N 3.17Å; A691-A693 VanDerWaalsContact C-N 3.3Å; A691-A693 PolarHBondContact O-N 3.38Å; A691-L694 PolarHBondContact O-N 3.31Å; A691-I695 WeakPolarHBondContact O-CG1 3.46Å; A691-I695 PolarHBondContact O-N 2.97Å; A691-I695 VanDerWaalsContact O-N 3.08Å
692	L	71.8	Confident	68.4	Low	5 Å²	5	23.7 Å²	23.7	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-63	-36.7	172.1	-67.7	174.9	0	0	0	112.3	L670 F673 V688 P689 S696 I704 L708 F711	L670-L692 HydrophobicContact CD2-CD2 3.18Å; F673-L692 HydrophobicContact CD2-CD2 3.83Å; F673-L692 HydrophobicContact CD2-CG 4.4Å; V688-L692 HydrophobicContact CG1-CD1 4.13Å; V688-L692 HydrophobicContact CG1-CG 4.2Å; V688-L692 WeakPolarHBondContact O-CG 3.45Å; V688-L692 PolarHBondContact O-N 3.34Å; P689-L692 PolarHBondContact O-N 2.93Å; L692-S696 PolarHBondContact O-N 3.38Å; L692-I704 HydrophobicContact CB-CG2 4.31Å; L692-L708 HydrophobicContact CB-CD2 4.32Å; L692-L708 HydrophobicContact CD1-CD2 3.94Å; L692-L708 HydrophobicContact CD1-CG 4.5Å; L692-F711 HydrophobicContact CD1-CE2 4.35Å
693	A	70.4	Confident	68.8	Low	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68	-38.3	176.4	0	0	0	0	0	112.5	P689 L690 A691 S696 A697 A726 M729 V730	P689-A693 PolarHBondContact O-N 3.39Å; L690-A693 WeakPolarHBondContact O-CB 3.28Å; L690-A693 PolarHBondContact O-N 3.23Å; A691-A693 VanDerWaalsContact C-N 3.3Å; A691-A693 PolarHBondContact O-N 3.38Å; A693-S696 CarbonylContact O-C 3.57Å; A693-S696 PolarHBondContact O-N 3.36Å; A693-A697 WeakPolarHBondContact O-CA 3.32Å; A693-A697 PolarHBondContact O-N 3.46Å; A693-A726 HydrophobicContact CB-CB 3.69Å; A693-M729 HydrophobicContact CB-CB 4.24Å; A693-M729 HydrophobicContact CB-CE 3.48Å; A693-M729 VanDerWaalsContact CB-CE 3.48Å; A693-V730 HydrophobicContact CB-CG2 4.32Å
694	L	68.3	Low	69.2	Low	3 Å²	3	25.6 Å²	25.6	2%	0.016	12%	0.123	C	C	.	.	H	α-helix	trans	-66.9	-44.7	177.9	-178.4	58.6	0	0	0	111.5	A656 L657 M660 L690 A691 S696 L794 L795 L798	A656-L694 HydrophobicContact CB-CB 4.41Å; A656-L694 HydrophobicContact CB-CD2 4.2Å; L657-L694 HydrophobicContact CB-CD2 4.04Å; M660-L694 HydrophobicContact CE-CD1 3.8Å; M660-L694 HydrophobicContact CE-CG 4.28Å; M660-L694 WeakPolarHBondContact CE-O 3.49Å; M660-L694 HydrophobicContact CG-CG 4.34Å; M660-L694 HydrophobicContact SD-CD1 3.4Å; M660-L694 WeakPolarHBondContact SD-CD1 3.44Å; M660-L694 HydrophobicContact SD-CD2 4.17Å; M660-L694 HydrophobicContact SD-CG 3.45Å; M660-L694 WeakPolarHBondContact SD-CG 3.07Å; L690-L694 PolarHBondContact O-N 3.01Å; A691-L694 PolarHBondContact O-N 3.31Å; L694-S696 PolarHBondContact O-N 2.76Å; L694-L794 HydrophobicContact CD1-CD1 4.25Å; L694-L795 HydrophobicContact CD2-CD2 4.47Å; L694-L798 HydrophobicContact CB-CD1 3.83Å; L694-L798 HydrophobicContact CD1-CD1 3.54Å; L694-L798 HydrophobicContact CD2-CD1 4.03Å; L694-L798 HydrophobicContact CG-CD1 3.97Å
695	I	70.3	Confident	69.5	Low	21 Å²	21	25.4 Å²	25.4	11%	0.108	12%	0.123	C	C	.	.	H	α-helix	trans	-60.6	-33.6	177.3	-68.7	176.8	0	0	0	112.4	A656 A669 F673 A691	A656-I695 HydrophobicContact CB-CD1 3.93Å; A656-I695 HydrophobicContact CB-CG1 3.6Å; A669-I695 HydrophobicContact CB-CD1 3.85Å; F673-I695 HydrophobicContact CD2-CD1 4.24Å; F673-I695 HydrophobicContact CE2-CD1 3.49Å; F673-I695 VanDerWaalsContact CE2-CD1 3.49Å; F673-I695 HydrophobicContact CZ-CD1 4.33Å; A691-I695 WeakPolarHBondContact O-CG1 3.46Å; A691-I695 PolarHBondContact O-N 2.97Å; A691-I695 VanDerWaalsContact O-N 3.08Å
696	S	63.6	Low	70	Confident	4 Å²	4	23.9 Å²	23.9	3%	0.028	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	41.7	-171.9	-67	0	0	0	0	112.7	L692 A693 L694 S698 N699 I704 V730	L692-S696 PolarHBondContact O-N 3.38Å; A693-S696 CarbonylContact O-C 3.57Å; A693-S696 PolarHBondContact O-N 3.36Å; L694-S696 PolarHBondContact O-N 2.76Å; S696-S698 PolarHBondContact O-N 3.49Å; S696-N699 PolarHBondContact O-N 3.29Å; S696-N699 VanDerWaalsContact O-N 3.08Å; S696-I704 WeakPolarHBondContact OG-CD1 3.19Å; S696-V730 WeakPolarHBondContact O-CA 3.17Å
697	A	66.3	Low	70.2	Confident	10 Å²	10	23 Å²	23	8%	0.083	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	122	174.9	0	0	0	0	0	110.4	A693 N699 C777 L794	A693-A697 WeakPolarHBondContact O-CA 3.32Å; A693-A697 PolarHBondContact O-N 3.46Å; A697-N699 PolarHBondContact O-N 3.11Å; A697-N699 VanDerWaalsContact O-N 3.14Å; A697-C777 PolarHBondContact O-SG 3.19Å; A697-L794 HydrophobicContact CB-CD1 4.22Å
698	S	61.8	Low	70.5	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	22.5	-174.6	-35.9	0	0	0	0	115.9	S696 M729 V730 S732 T734 L776	S696-S698 PolarHBondContact O-N 3.49Å; S698-M729 PolarHBondContact N-O 3.44Å; S698-M729 VanDerWaalsContact N-O 3.15Å; S698-V730 CarbonylContact C-O 3.59Å; S698-V730 VanDerWaalsContact CA-O 3.31Å; S698-V730 WeakPolarHBondContact CA-O 3.33Å; S698-S732 WeakPolarHBondContact CB-O 3.34Å; S698-S732 PolarHBondContact OG-O 2.88Å; S698-T734 WeakPolarHBondContact O-CG2 3.34Å; S698-L776 PolarHBondContact OG-N 3.32Å; S698-L776 VanDerWaalsContact OG-N 3.07Å
699	N	66.1	Low	70.7	Confident	26 Å²	26	24.2 Å²	24.2	14%	0.139	13%	0.132	C	C	.	.			trans	-118.2	95	173.4	-174.2	7.4	0	0	0	111.5	S696 A697 R701 V730 H874	S696-N699 PolarHBondContact O-N 3.29Å; S696-N699 VanDerWaalsContact O-N 3.08Å; A697-N699 PolarHBondContact O-N 3.11Å; A697-N699 VanDerWaalsContact O-N 3.14Å; N699-R701 VanDerWaalsContact C-N 3.29Å; N699-R701 PolarHBondContact O-N 3.05Å; N699-V730 PolarHBondContact N-O 3.03Å; N699-V730 WeakPolarHBondContact O-CG1 3.31Å; N699-H874 VanDerWaalsContact CG-ND1 3.31Å; N699-H874 PolarHBondContact ND2-CE1 3.11Å; N699-H874 VanDerWaalsContact ND2-CE1 3.29Å; N699-H874 PolarHBondContact ND2-ND1 3.16Å
700	P	64.1	Low	70.9	Confident	31 Å²	31	31.6 Å²	31.6	20%	0.201	16%	0.164	C	C	.	.			trans	-76.8	71.4	-175.7	-12	28.9	0	0	0	112.8	L702 L705 T734	P700-L702 PolarHBondContact O-N 3.17Å; P700-L705 HydrophobicContact CB-CD1 4.09Å; P700-T734 HydrophobicContact CG-CG2 3.74Å; P700-T734 VanDerWaalsContact CG-OG1 3.3Å; P700-T734 WeakPolarHBondContact CG-OG1 3.14Å
701	R	69.1	Low	70.9	Confident	58 Å²	58	33.7 Å²	33.7	22%	0.219	17%	0.173	C	C	.	.			trans	-68.9	124.5	169.6	-70.5	-173	174	-166.7	-3.1	109.8	E663 E667 N699 N703 I704 L705	E663-R701 IonicContact OE1-CZ 3.03Å; E663-R701 IonicContact OE1-NH2 2.82Å; E663-R701 PolarHBondContact OE1-NH2 3.03Å; E667-R701 IonicContact OE1-NH1 3.93Å; N699-R701 VanDerWaalsContact C-N 3.29Å; N699-R701 PolarHBondContact O-N 3.05Å; R701-N703 PolarHBondContact O-N 3.46Å; R701-I704 HydrophobicContact CB-CB 4.45Å; R701-I704 HydrophobicContact CB-CD1 3.93Å; R701-I704 HydrophobicContact CB-CG1 4.02Å; R701-I704 HydrophobicContact CG-CD1 4.47Å; R701-I704 PolarHBondContact O-N 2.88Å; R701-L705 PolarHBondContact O-N 3.08Å; R701-L705 VanDerWaalsContact O-N 3.09Å
702	L	69.7	Low	70.7	Confident	81 Å²	81	33.7 Å²	33.7	42%	0.424	17%	0.173	S	C	.	.	H	α-helix	trans	-56.7	-38.1	-177.1	-67.4	176.9	0	0	0	113	P700 I704 L705 D706	P700-L702 PolarHBondContact O-N 3.17Å; L702-I704 VanDerWaalsContact C-N 3.3Å; L702-I704 PolarHBondContact O-N 3.14Å; L702-L705 PolarHBondContact O-N 3.45Å; L702-D706 WeakPolarHBondContact O-CB 3.25Å; L702-D706 PolarHBondContact O-N 3.34Å
703	N	75.4	Confident	70.9	Confident	131 Å²	131	37.6 Å²	37.6	70%	0.701	19%	0.191	S	C	*	.	H	α-helix	trans	-61.6	-40.1	178.9	-64.5	-9.2	0	0	0	111.8	R701 T707	R701-N703 PolarHBondContact O-N 3.46Å; N703-T707 WeakPolarHBondContact O-CG2 3.09Å; N703-T707 PolarHBondContact O-N 3.29Å; N703-T707 PolarHBondContact O-OG1 2.87Å
704	I	74.3	Confident	70.9	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-71.8	-43.9	179.9	-56.8	178.4	0	0	0	109.6	L670 L692 S696 R701 L702 D706 T707 L708	L670-I704 HydrophobicContact CD1-CD1 4.04Å; L670-I704 HydrophobicContact CD1-CG1 4.2Å; L670-I704 HydrophobicContact CD2-CD1 3.99Å; L670-I704 HydrophobicContact CD2-CG1 4.08Å; L692-I704 HydrophobicContact CB-CG2 4.31Å; S696-I704 WeakPolarHBondContact OG-CD1 3.19Å; R701-I704 HydrophobicContact CB-CB 4.45Å; R701-I704 HydrophobicContact CB-CD1 3.93Å; R701-I704 HydrophobicContact CB-CG1 4.02Å; R701-I704 HydrophobicContact CG-CD1 4.47Å; R701-I704 PolarHBondContact O-N 2.88Å; L702-I704 VanDerWaalsContact C-N 3.3Å; L702-I704 PolarHBondContact O-N 3.14Å; I704-D706 PolarHBondContact O-N 2.95Å; I704-T707 WeakPolarHBondContact CA-OG1 3.18Å; I704-T707 PolarHBondContact O-N 3.27Å; I704-T707 VanDerWaalsContact O-N 3.16Å; I704-T707 PolarHBondContact O-OG1 3.1Å; I704-L708 HydrophobicContact CG2-CD1 3.84Å; I704-L708 HydrophobicContact CG2-CG 4.21Å; I704-L708 WeakPolarHBondContact O-CG 3.34Å; I704-L708 PolarHBondContact O-N 3.44Å
705	L	74.3	Confident	70.7	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-43.5	177	-66.4	-177.6	0	0	0	112.7	P700 R701 L702 T707 L708 S709 V730 L739	P700-L705 HydrophobicContact CB-CD1 4.09Å; R701-L705 PolarHBondContact O-N 3.08Å; R701-L705 VanDerWaalsContact O-N 3.09Å; L702-L705 PolarHBondContact O-N 3.45Å; L705-T707 VanDerWaalsContact C-N 3.29Å; L705-T707 PolarHBondContact O-N 2.91Å; L705-L708 PolarHBondContact O-N 2.98Å; L705-S709 VanDerWaalsContact O-CB 3.27Å; L705-S709 WeakPolarHBondContact O-CB 3.16Å; L705-S709 PolarHBondContact O-N 2.95Å; L705-V730 HydrophobicContact CD2-CB 4.46Å; L705-V730 HydrophobicContact CD2-CG1 3.87Å; L705-L739 HydrophobicContact CD1-CB 4.48Å; L705-L739 HydrophobicContact CD1-CD1 4.35Å; L705-L739 HydrophobicContact CD2-CD1 3.71Å; L705-L739 HydrophobicContact CD2-CD2 4.48Å
706	D	77.4	Confident	70.7	Confident	57 Å²	57	46 Å²	46	31%	0.305	25%	0.25	S	C	.	.	H	α-helix	trans	-68.3	-29.6	178.3	-73.8	-17.7	0	0	0	111.7	L702 I704 K710 R738 M742	L702-D706 WeakPolarHBondContact O-CB 3.25Å; L702-D706 PolarHBondContact O-N 3.34Å; I704-D706 PolarHBondContact O-N 2.95Å; D706-K710 WeakPolarHBondContact O-CG 3.39Å; D706-K710 PolarHBondContact O-N 3.43Å; D706-R738 IonicContact OD1-NH2 3.76Å; D706-R738 PolarHBondContact OD1-NH2 3.34Å; D706-R738 IonicContact OD2-NH2 2.77Å; D706-M742 WeakPolarHBondContact OD1-CE 2.95Å
707	T	76.4	Confident	70.9	Confident	51 Å²	51	48.6 Å²	48.6	31%	0.313	27%	0.266	S	S	.	.	H	α-helix	trans	-72.4	-48.3	171.8	56.6	0	0	0	0	112.4	N703 I704 L705 S709 K710 F711	N703-T707 WeakPolarHBondContact O-CG2 3.09Å; N703-T707 PolarHBondContact O-N 3.29Å; N703-T707 PolarHBondContact O-OG1 2.87Å; I704-T707 WeakPolarHBondContact CA-OG1 3.18Å; I704-T707 PolarHBondContact O-N 3.27Å; I704-T707 VanDerWaalsContact O-N 3.16Å; I704-T707 PolarHBondContact O-OG1 3.1Å; L705-T707 VanDerWaalsContact C-N 3.29Å; L705-T707 PolarHBondContact O-N 2.91Å; T707-S709 VanDerWaalsContact C-N 3.3Å; T707-S709 PolarHBondContact O-N 3.24Å; T707-K710 WeakPolarHBondContact O-CB 3.32Å; T707-K710 PolarHBondContact O-N 2.93Å; T707-K710 VanDerWaalsContact O-N 3.13Å; T707-F711 WeakPolarHBondContact O-CD2 3.29Å; T707-F711 WeakPolarHBondContact O-CE2 3.49Å; T707-F711 WeakPolarHBondContact O-CG 3.49Å; T707-F711 PolarHBondContact O-N 2.71Å
708	L	74.4	Confident	71	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-36.6	178.7	-69	172.8	0	0	0	112.1	P689 L692 I704 L705 K710 F711 S712 A726 M727 V730	P689-L708 HydrophobicContact CB-CD2 3.89Å; L692-L708 HydrophobicContact CB-CD2 4.32Å; L692-L708 HydrophobicContact CD1-CD2 3.94Å; L692-L708 HydrophobicContact CD1-CG 4.5Å; I704-L708 HydrophobicContact CG2-CD1 3.84Å; I704-L708 HydrophobicContact CG2-CG 4.21Å; I704-L708 WeakPolarHBondContact O-CG 3.34Å; I704-L708 PolarHBondContact O-N 3.44Å; L705-L708 PolarHBondContact O-N 2.98Å; L708-K710 VanDerWaalsContact C-N 3.34Å; L708-K710 PolarHBondContact O-N 3.42Å; L708-F711 HydrophobicContact CD2-CD2 4.47Å; L708-F711 PolarHBondContact O-N 3.12Å; L708-F711 VanDerWaalsContact O-N 3.17Å; L708-S712 PolarHBondContact O-N 2.64Å; L708-A726 HydrophobicContact CD1-CB 4.13Å; L708-A726 HydrophobicContact CD2-CB 3.88Å; L708-M727 HydrophobicContact CB-CG 3.51Å; L708-M727 HydrophobicContact CB-SD 4.09Å; L708-M727 HydrophobicContact CD1-CG 3.96Å; L708-M727 HydrophobicContact CG-CG 4.37Å; L708-V730 HydrophobicContact CD1-CG2 4.15Å
709	S	77.8	Confident	71.5	Confident	27 Å²	27	49.2 Å²	49.2	19%	0.189	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-40.2	174.5	175.8	0	0	0	0	111.8	L705 T707 F711 S712 H713	L705-S709 VanDerWaalsContact O-CB 3.27Å; L705-S709 WeakPolarHBondContact O-CB 3.16Å; L705-S709 PolarHBondContact O-N 2.95Å; T707-S709 VanDerWaalsContact C-N 3.3Å; T707-S709 PolarHBondContact O-N 3.24Å; S709-F711 VanDerWaalsContact C-N 3.3Å; S709-F711 PolarHBondContact O-N 3.16Å; S709-S712 PolarHBondContact O-N 2.95Å; S709-S712 PolarHBondContact O-OG 3.34Å; S709-H713 PolarHBondContact O-CD2 3.43Å
710	K	77.8	Confident	71.7	Confident	154 Å²	154	48 Å²	48	67%	0.67	26%	0.262	S	S	*	.	H	α-helix	trans	-64.3	-36.8	174.6	-70	168.4	-172.6	170.5	0	111.8	D706 T707 L708 H713	D706-K710 WeakPolarHBondContact O-CG 3.39Å; D706-K710 PolarHBondContact O-N 3.43Å; T707-K710 WeakPolarHBondContact O-CB 3.32Å; T707-K710 PolarHBondContact O-N 2.93Å; T707-K710 VanDerWaalsContact O-N 3.13Å; L708-K710 VanDerWaalsContact C-N 3.34Å; L708-K710 PolarHBondContact O-N 3.42Å; K710-H713 PolarHBondContact O-N 3.46Å
711	F	70.1	Confident	72.1	Confident	45 Å²	45	46.8 Å²	46.8	20%	0.197	25%	0.253	C	S	.	.	H	α-helix	trans	-73.4	-27.1	178.7	-54.6	-38.1	0	0	0	113.4	L677 L692 T707 L708 S709 H713 D714 S723	L677-F711 HydrophobicContact CD1-CE1 4.19Å; L677-F711 HydrophobicContact CD1-CE2 3.71Å; L677-F711 HydrophobicContact CD1-CZ 3.4Å; L677-F711 VanDerWaalsContact CD1-CZ 3.4Å; L677-F711 HydrophobicContact CD2-CZ 4.47Å; L677-F711 HydrophobicContact CG-CZ 4.47Å; L692-F711 HydrophobicContact CD1-CE2 4.35Å; T707-F711 WeakPolarHBondContact O-CD2 3.29Å; T707-F711 WeakPolarHBondContact O-CE2 3.49Å; T707-F711 WeakPolarHBondContact O-CG 3.49Å; T707-F711 PolarHBondContact O-N 2.71Å; L708-F711 HydrophobicContact CD2-CD2 4.47Å; L708-F711 PolarHBondContact O-N 3.12Å; L708-F711 VanDerWaalsContact O-N 3.17Å; S709-F711 VanDerWaalsContact C-N 3.3Å; S709-F711 PolarHBondContact O-N 3.16Å; F711-H713 PolarHBondContact O-N 3.17Å; F711-H713 VanDerWaalsContact O-N 3.16Å; F711-D714 WeakPolarHBondContact O-CB 3.39Å; F711-D714 PolarHBondContact O-N 3.43Å; F711-D714 VanDerWaalsContact O-N 3.09Å; F711-S723 WeakPolarHBondContact CB-OG 3.48Å
712	S	66.3	Low	72.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.5	174.7	70.4	0	0	0	0	114.6	L708 S709 S720 L746 H750	L708-S712 PolarHBondContact O-N 2.64Å; S709-S712 PolarHBondContact O-N 2.95Å; S709-S712 PolarHBondContact O-OG 3.34Å; S712-S720 PolarHBondContact O-OG 3.24Å; S712-L746 WeakPolarHBondContact OG-CD2 3.25Å; S712-H750 PolarHBondContact O-NE2 3.49Å; S712-H750 VanDerWaalsContact O-NE2 3.07Å
713	H	74.3	Confident	72.4	Confident	87 Å²	87	40.3 Å²	40.3	40%	0.403	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	8.3	174.4	-69.6	-68.4	0	0	0	113.7	S709 K710 F711 Y749	S709-H713 PolarHBondContact O-CD2 3.43Å; K710-H713 PolarHBondContact O-N 3.46Å; F711-H713 PolarHBondContact O-N 3.17Å; F711-H713 VanDerWaalsContact O-N 3.16Å; H713-Y749 AromaticContact CE1-CD1 3.77Å; H713-Y749 AromaticContact CE1-CG 3.82Å; H713-Y749 AromaticContact ND1-CD1 3.56Å; H713-Y749 AromaticContact ND1-CE1 3.39Å; H713-Y749 WeakPolarHBondContact ND1-CE1 3.44Å; H713-Y749 AromaticContact ND1-CZ 3.7Å
714	D	71.7	Confident	72.4	Confident	63 Å²	63	34.1 Å²	34.1	34%	0.337	19%	0.19	S	C	.	.			trans	-67.5	154.7	178.4	-156	-12	0	0	0	111.8	F711 V719	F711-D714 WeakPolarHBondContact O-CB 3.39Å; F711-D714 PolarHBondContact O-N 3.43Å; F711-D714 VanDerWaalsContact O-N 3.09Å; D714-V719 HydrophobicContact CB-CG1 4.37Å
715	A	64.4	Low	72.3	Confident	98 Å²	98	34 Å²	34	81%	0.81	19%	0.19	S	C	*	.	S	Bend	trans	-75.1	-21.5	-176.4	0	0	0	0	0	113.3	P717	A715-P717 WeakPolarHBondContact O-CD 3.4Å
716	D	69.9	Low	72.3	Confident	39 Å²	39	34 Å²	34	21%	0.209	19%	0.189	C	C	.	.	S	Bend	trans	-81	115.7	171.1	-172.6	-8	0	0	0	109.7	R686 E718 V719 S720	R686-D716 IonicContact CZ-OD2 3.06Å; R686-D716 IonicContact NE-OD2 2.84Å; R686-D716 PolarHBondContact NE-OD2 2.87Å; R686-D716 IonicContact NH2-OD1 3.39Å; R686-D716 IonicContact NH2-OD2 3.04Å; R686-D716 PolarHBondContact NH2-OD2 3.27Å; D716-E718 PolarHBondContact O-N 3.29Å; D716-E718 PolarHBondContact OD1-N 2.91Å; D716-E718 VanDerWaalsContact OD1-N 3.09Å; D716-V719 HydrophobicContact CB-CB 4.39Å; D716-V719 HydrophobicContact CB-CG2 4.02Å; D716-V719 PolarHBondContact O-N 2.75Å; D716-S720 PolarHBondContact O-N 3.4Å
717	P	68.1	Low	72.1	Confident	58 Å²	58	31.2 Å²	31.2	38%	0.377	18%	0.175	S	C	.	.	H	α-helix	trans	-57.8	-35.5	179.8	22.8	-33.8	0	0	0	112.3	A715 V719 S720 H721	A715-P717 WeakPolarHBondContact O-CD 3.4Å; P717-V719 PolarHBondContact O-N 3.08Å; P717-S720 WeakPolarHBondContact O-CB 3.3Å; P717-S720 PolarHBondContact O-N 2.94Å; P717-H721 VanDerWaalsContact C-ND1 3.35Å; P717-H721 PolarHBondContact O-CE1 3.04Å; P717-H721 PolarHBondContact O-N 3.13Å; P717-H721 PolarHBondContact O-ND1 3.47Å
718	E	67.6	Low	71.8	Confident	19 Å²	19	28.8 Å²	28.8	9%	0.089	16%	0.16	C	C	.	.	H	α-helix	trans	-67.5	-38.5	-177	-71.7	176.7	-143.4	0	0	113	R686 D716 S720 H721 N722 K805	R686-E718 WeakPolarHBondContact CD-OE2 3.4Å; R686-E718 HydrophobicContact CG-CB 4.11Å; R686-E718 IonicContact CZ-OE1 3.9Å; R686-E718 IonicContact CZ-OE2 3.68Å; R686-E718 IonicContact NE-OE2 3.65Å; R686-E718 PolarHBondContact NE-OE2 3.01Å; R686-E718 IonicContact NH1-OE1 2.9Å; R686-E718 IonicContact NH1-OE2 2.97Å; R686-E718 PolarHBondContact NH1-OE2 3.38Å; R686-E718 IonicContact NH2-OE1 3.82Å; R686-E718 IonicContact NH2-OE2 3.38Å; D716-E718 PolarHBondContact O-N 3.29Å; D716-E718 PolarHBondContact OD1-N 2.91Å; D716-E718 VanDerWaalsContact OD1-N 3.09Å; E718-S720 VanDerWaalsContact C-N 3.3Å; E718-S720 PolarHBondContact O-N 3.26Å; E718-H721 PolarHBondContact O-N 3.27Å; E718-N722 PolarHBondContact O-N 3.06Å; E718-N722 VanDerWaalsContact O-N 3.09Å; E718-K805 HydrophobicContact CG-CD 4.31Å; E718-K805 HydrophobicContact CG-CG 4.39Å; E718-K805 VanDerWaalsContact OE1-CD 3.28Å; E718-K805 WeakPolarHBondContact OE1-CD 3.37Å; E718-K805 WeakPolarHBondContact OE1-CE 3.45Å; E718-K805 IonicContact OE1-NZ 2.66Å; E718-K805 PolarHBondContact OE1-NZ 3.31Å
719	V	72.4	Confident	71.7	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.024	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-39.3	173.9	179.1	0	0	0	0	110.4	R685 R686 D714 D716 P717 N722 S723	R685-V719 HydrophobicContact CB-CG2 4.25Å; R686-V719 HydrophobicContact CB-CG2 4.46Å; R686-V719 HydrophobicContact CG-CG2 3.59Å; D714-V719 HydrophobicContact CB-CG1 4.37Å; D716-V719 HydrophobicContact CB-CB 4.39Å; D716-V719 HydrophobicContact CB-CG2 4.02Å; D716-V719 PolarHBondContact O-N 2.75Å; P717-V719 PolarHBondContact O-N 3.08Å; V719-N722 PolarHBondContact O-N 2.73Å; V719-S723 VanDerWaalsContact O-CB 3.3Å; V719-S723 WeakPolarHBondContact O-CB 3.41Å; V719-S723 PolarHBondContact O-N 3.28Å; V719-S723 PolarHBondContact O-OG 3.25Å
720	S	71.2	Confident	71.4	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.007	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-47.1	177	-175.5	0	0	0	0	111.7	S712 D716 P717 E718 N722 S723 I724	S712-S720 PolarHBondContact O-OG 3.24Å; D716-S720 PolarHBondContact O-N 3.4Å; P717-S720 WeakPolarHBondContact O-CB 3.3Å; P717-S720 PolarHBondContact O-N 2.94Å; E718-S720 VanDerWaalsContact C-N 3.3Å; E718-S720 PolarHBondContact O-N 3.26Å; S720-N722 PolarHBondContact O-N 3.09Å; S720-S723 PolarHBondContact O-N 3.5Å; S720-I724 WeakPolarHBondContact O-CB 3.24Å; S720-I724 WeakPolarHBondContact O-CD1 3.34Å; S720-I724 WeakPolarHBondContact O-CG1 3.34Å; S720-I724 PolarHBondContact O-N 3.35Å
721	H	71.8	Confident	70.7	Confident	6 Å²	6	20.5 Å²	20.5	3%	0.028	12%	0.12	C	C	.	.	H	α-helix	trans	-57.8	-48.2	175.5	-65.5	101.2	0	0	0	111.9	P717 E718 S723 I724 F725 N755 N756 M759 V804	P717-H721 VanDerWaalsContact C-ND1 3.35Å; P717-H721 PolarHBondContact O-CE1 3.04Å; P717-H721 PolarHBondContact O-N 3.13Å; P717-H721 PolarHBondContact O-ND1 3.47Å; E718-H721 PolarHBondContact O-N 3.27Å; H721-S723 VanDerWaalsContact C-N 3.32Å; H721-S723 PolarHBondContact O-N 3.48Å; H721-I724 PolarHBondContact O-N 2.98Å; H721-F725 PolarHBondContact O-N 3.49Å; H721-N755 VanDerWaalsContact NE2-CB 3.32Å; H721-N755 WeakPolarHBondContact NE2-CB 3.35Å; H721-N756 PolarHBondContact CD2-OD1 3.08Å; H721-N756 PolarHBondContact CE1-OD1 3.05Å; H721-N756 PolarHBondContact NE2-OD1 3.14Å; H721-M759 HydrophobicContact CB-CE 4.2Å; H721-M759 HydrophobicContact CB-CG 4.45Å; H721-M759 WeakPolarHBondContact O-CG 3.41Å; H721-V804 HydrophobicContact CB-CG1 4.05Å
722	N	71.6	Confident	70.6	Confident	3 Å²	3	18.3 Å²	18.3	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-64.8	-37	-179.9	-76.7	-7	0	0	0	112.3	R686 P689 L690 E718 V719 S720 A726 F801 V804	R686-N722 PolarHBondContact O-ND2 3.5Å; P689-N722 HydrophobicContact CB-CB 4.42Å; L690-N722 HydrophobicContact CD2-CB 4.11Å; L690-N722 HydrophobicContact CG-CB 4.15Å; E718-N722 PolarHBondContact O-N 3.06Å; E718-N722 VanDerWaalsContact O-N 3.09Å; V719-N722 PolarHBondContact O-N 2.73Å; S720-N722 PolarHBondContact O-N 3.09Å; N722-A726 WeakPolarHBondContact O-CB 3.29Å; N722-A726 PolarHBondContact O-N 3.49Å; N722-F801 PolarHBondContact ND2-O 3.21Å; N722-F801 PolarHBondContact OD1-O 3.05Å; N722-V804 WeakPolarHBondContact OD1-CG2 3.49Å
723	S	73.5	Confident	70.4	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69.1	-39.4	177.4	-57.6	0	0	0	0	112.4	P689 F711 V719 S720 H721 A726 M727	P689-S723 WeakPolarHBondContact CG-OG 3.15Å; F711-S723 WeakPolarHBondContact CB-OG 3.48Å; V719-S723 VanDerWaalsContact O-CB 3.3Å; V719-S723 WeakPolarHBondContact O-CB 3.41Å; V719-S723 PolarHBondContact O-N 3.28Å; V719-S723 PolarHBondContact O-OG 3.25Å; S720-S723 PolarHBondContact O-N 3.5Å; H721-S723 VanDerWaalsContact C-N 3.32Å; H721-S723 PolarHBondContact O-N 3.48Å; S723-A726 PolarHBondContact O-N 2.85Å; S723-M727 VanDerWaalsContact O-CG 3.32Å; S723-M727 WeakPolarHBondContact O-CG 3.49Å; S723-M727 PolarHBondContact O-N 3.31Å
724	I	74.2	Confident	69.9	Low	0 Å²	0	16 Å²	16	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.8	-44.6	176.8	-68.2	162	0	0	0	110.5	S720 H721 M727 G728 M759 V760 A763	S720-I724 WeakPolarHBondContact O-CB 3.24Å; S720-I724 WeakPolarHBondContact O-CD1 3.34Å; S720-I724 WeakPolarHBondContact O-CG1 3.34Å; S720-I724 PolarHBondContact O-N 3.35Å; H721-I724 PolarHBondContact O-N 2.98Å; I724-M727 WeakPolarHBondContact O-CB 3.4Å; I724-M727 PolarHBondContact O-N 3Å; I724-G728 PolarHBondContact O-N 3.42Å; I724-M759 HydrophobicContact CB-CG 4.14Å; I724-M759 HydrophobicContact CG2-CB 4.19Å; I724-M759 HydrophobicContact CG2-CG 3.94Å; I724-V760 HydrophobicContact CD1-CG2 3.84Å; I724-V760 HydrophobicContact CG1-CG2 4.29Å; I724-V760 VanDerWaalsContact CG2-CA 3.48Å; I724-V760 HydrophobicContact CG2-CB 4.13Å; I724-V760 HydrophobicContact CG2-CG2 3.63Å; I724-A763 HydrophobicContact CG2-CB 4.12Å; I724-A763 WeakPolarHBondContact O-CB 3.36Å
725	F	72.9	Confident	69.6	Low	1 Å²	1	16.3 Å²	16.3	0%	0.004	11%	0.105	C	C	.	.	H	α-helix	trans	-63.5	-44.3	175.5	-176.3	-105.7	0	0	0	112.1	L690 H721 M727 G728 M729 M759 L762 L766 V797 F801 L816	L690-F725 HydrophobicContact CD2-CD1 4.3Å; H721-F725 PolarHBondContact O-N 3.49Å; F725-M727 VanDerWaalsContact C-N 3.29Å; F725-M727 PolarHBondContact O-N 2.99Å; F725-G728 WeakPolarHBondContact O-CA 3.3Å; F725-G728 PolarHBondContact O-N 3.48Å; F725-M729 HydrophobicContact CD1-CE 3.84Å; F725-M729 HydrophobicContact CD1-CG 4.24Å; F725-M729 HydrophobicContact CD1-SD 4.28Å; F725-M729 HydrophobicContact CE1-CE 3.36Å; F725-M729 HydrophobicContact CE1-CG 3.62Å; F725-M729 HydrophobicContact CE1-SD 3.33Å; F725-M729 WeakPolarHBondContact CE1-SD 3.36Å; F725-M729 HydrophobicContact CE2-CG 4.41Å; F725-M729 HydrophobicContact CZ-CE 4.29Å; F725-M729 HydrophobicContact CZ-CG 3.71Å; F725-M729 HydrophobicContact CZ-SD 3.67Å; F725-M729 PolarHBondContact O-N 2.92Å; F725-M759 HydrophobicContact CB-CG 4.2Å; F725-M759 HydrophobicContact CB-SD 3.78Å; F725-M759 HydrophobicContact CD2-SD 4Å; F725-M759 HydrophobicContact CG-SD 4.26Å; F725-L762 HydrophobicContact CD2-CD2 3.99Å; F725-L762 HydrophobicContact CE2-CD2 3.99Å; F725-L766 HydrophobicContact CD2-CD1 4.18Å; F725-L766 HydrophobicContact CE2-CD1 3.57Å; F725-L766 HydrophobicContact CZ-CD1 4.22Å; F725-V797 HydrophobicContact CE1-CG1 4.15Å; F725-V797 HydrophobicContact CZ-CG1 3.86Å; F725-F801 HydrophobicContact CB-CD1 4.43Å; F725-F801 HydrophobicContact CB-CE1 3.89Å; F725-F801 HydrophobicContact CB-CZ 4.24Å; F725-F801 AromaticContact CD1-CD1 3.98Å; F725-F801 HydrophobicContact CD1-CD1 3.98Å; F725-F801 AromaticContact CD1-CD2 3.72Å; F725-F801 HydrophobicContact CD1-CD2 3.72Å; F725-F801 AromaticContact CD1-CE1 3.67Å; F725-F801 HydrophobicContact CD1-CE1 3.67Å; F725-F801 AromaticContact CD1-CE2 3.46Å; F725-F801 HydrophobicContact CD1-CE2 3.46Å; F725-F801 VanDerWaalsContact CD1-CE2 3.46Å; F725-F801 HydrophobicContact CD1-CG 4.03Å; F725-F801 AromaticContact CD1-CZ 3.42Å; F725-F801 HydrophobicContact CD1-CZ 3.42Å; F725-F801 VanDerWaalsContact CD1-CZ 3.42Å; F725-F801 AromaticContact CD2-CE1 3.78Å; F725-F801 HydrophobicContact CD2-CE1 3.78Å; F725-F801 AromaticContact CD2-CE2 3.94Å; F725-F801 HydrophobicContact CD2-CE2 3.94Å; F725-F801 AromaticContact CD2-CZ 3.26Å; F725-F801 HydrophobicContact CD2-CZ 3.26Å; F725-F801 HydrophobicContact CE1-CD1 4.49Å; F725-F801 AromaticContact CE1-CD2 3.43Å; F725-F801 HydrophobicContact CE1-CD2 3.43Å; F725-F801 VanDerWaalsContact CE1-CD2 3.43Å; F725-F801 HydrophobicContact CE1-CE1 4.14Å; F725-F801 AromaticContact CE1-CE2 3.02Å; F725-F801 HydrophobicContact CE1-CE2 3.02Å; F725-F801 HydrophobicContact CE1-CG 4.2Å; F725-F801 AromaticContact CE1-CZ 3.43Å; F725-F801 HydrophobicContact CE1-CZ 3.43Å; F725-F801 VanDerWaalsContact CE1-CZ 3.43Å; F725-F801 HydrophobicContact CE2-CE1 4.24Å; F725-F801 AromaticContact CE2-CE2 3.57Å; F725-F801 HydrophobicContact CE2-CE2 3.57Å; F725-F801 AromaticContact CE2-CZ 3.28Å; F725-F801 HydrophobicContact CE2-CZ 3.28Å; F725-F801 HydrophobicContact CG-CD1 4.15Å; F725-F801 HydrophobicContact CG-CD2 4.46Å; F725-F801 AromaticContact CG-CE1 3.47Å; F725-F801 HydrophobicContact CG-CE1 3.47Å; F725-F801 VanDerWaalsContact CG-CE1 3.47Å; F725-F801 AromaticContact CG-CE2 3.89Å; F725-F801 HydrophobicContact CG-CE2 3.89Å; F725-F801 AromaticContact CG-CZ 3.34Å; F725-F801 HydrophobicContact CG-CZ 3.34Å; F725-F801 AromaticContact CZ-CD2 3.99Å; F725-F801 HydrophobicContact CZ-CD2 3.99Å; F725-F801 HydrophobicContact CZ-CE1 4.42Å; F725-F801 AromaticContact CZ-CE2 3.11Å; F725-F801 HydrophobicContact CZ-CE2 3.11Å; F725-F801 AromaticContact CZ-CZ 3.38Å; F725-F801 HydrophobicContact CZ-CZ 3.38Å; F725-L816 HydrophobicContact CE2-CD2 4.33Å; F725-L816 HydrophobicContact CZ-CD2 4.5Å
726	A	74.5	Confident	69.8	Low	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-55.6	-43	174.9	0	0	0	0	0	112.2	P689 A693 L708 N722 S723 G728 M729 V730	P689-A726 HydrophobicContact CB-CB 4.21Å; P689-A726 WeakPolarHBondContact O-CB 3.27Å; A693-A726 HydrophobicContact CB-CB 3.69Å; L708-A726 HydrophobicContact CD1-CB 4.13Å; L708-A726 HydrophobicContact CD2-CB 3.88Å; N722-A726 WeakPolarHBondContact O-CB 3.29Å; N722-A726 PolarHBondContact O-N 3.49Å; S723-A726 PolarHBondContact O-N 2.85Å; A726-G728 VanDerWaalsContact C-N 3.29Å; A726-G728 PolarHBondContact O-N 3.43Å; A726-M729 PolarHBondContact O-N 3.1Å; A726-V730 WeakPolarHBondContact O-CB 3.38Å; A726-V730 VanDerWaalsContact O-CG2 3.25Å; A726-V730 WeakPolarHBondContact O-CG2 3.21Å; A726-V730 PolarHBondContact O-N 3.27Å
727	M	73.1	Confident	69.8	Low	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.4	-38.6	173.5	-73.9	178.4	68.2	0	0	112.4	L708 S723 I724 F725 G731 L739 M742 L743 L746	L708-M727 HydrophobicContact CB-CG 3.51Å; L708-M727 HydrophobicContact CB-SD 4.09Å; L708-M727 HydrophobicContact CD1-CG 3.96Å; L708-M727 HydrophobicContact CG-CG 4.37Å; S723-M727 VanDerWaalsContact O-CG 3.32Å; S723-M727 WeakPolarHBondContact O-CG 3.49Å; S723-M727 PolarHBondContact O-N 3.31Å; I724-M727 WeakPolarHBondContact O-CB 3.4Å; I724-M727 PolarHBondContact O-N 3Å; F725-M727 VanDerWaalsContact C-N 3.29Å; F725-M727 PolarHBondContact O-N 2.99Å; M727-G731 PolarHBondContact O-N 3.02Å; M727-G731 VanDerWaalsContact O-N 3.13Å; M727-L739 HydrophobicContact CB-CD1 4.23Å; M727-L739 HydrophobicContact CE-CD1 3.6Å; M727-M742 HydrophobicContact CE-CB 4.13Å; M727-L743 HydrophobicContact CB-CD2 4.38Å; M727-L743 HydrophobicContact CE-CD2 4.44Å; M727-L746 HydrophobicContact CE-CD1 4.13Å; M727-L746 HydrophobicContact SD-CD1 4.06Å
728	G	70.6	Confident	69.9	Low	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.4	-45.7	174.2	0	0	0	0	0	113.1	I724 F725 A726 G731 S732	I724-G728 PolarHBondContact O-N 3.42Å; F725-G728 WeakPolarHBondContact O-CA 3.3Å; F725-G728 PolarHBondContact O-N 3.48Å; A726-G728 VanDerWaalsContact C-N 3.29Å; A726-G728 PolarHBondContact O-N 3.43Å; G728-G731 CarbonylContact O-C 3.57Å; G728-G731 PolarHBondContact O-N 3.04Å; G728-S732 PolarHBondContact O-N 3.42Å; G728-S732 PolarHBondContact O-OG 3.12Å
729	M	71.9	Confident	70	Confident	6 Å²	6	17.2 Å²	17.2	3%	0.03	10%	0.096	C	C	.	.	H	α-helix	trans	-68.4	-41.7	178.2	-74.1	-155.5	-59.7	0	0	113.4	A693 S698 F725 A726 G731 S732 L766 L798	A693-M729 HydrophobicContact CB-CB 4.24Å; A693-M729 HydrophobicContact CB-CE 3.48Å; A693-M729 VanDerWaalsContact CB-CE 3.48Å; S698-M729 PolarHBondContact N-O 3.44Å; S698-M729 VanDerWaalsContact N-O 3.15Å; F725-M729 HydrophobicContact CD1-CE 3.84Å; F725-M729 HydrophobicContact CD1-CG 4.24Å; F725-M729 HydrophobicContact CD1-SD 4.28Å; F725-M729 HydrophobicContact CE1-CE 3.36Å; F725-M729 HydrophobicContact CE1-CG 3.62Å; F725-M729 HydrophobicContact CE1-SD 3.33Å; F725-M729 WeakPolarHBondContact CE1-SD 3.36Å; F725-M729 HydrophobicContact CE2-CG 4.41Å; F725-M729 HydrophobicContact CZ-CE 4.29Å; F725-M729 HydrophobicContact CZ-CG 3.71Å; F725-M729 HydrophobicContact CZ-SD 3.67Å; F725-M729 PolarHBondContact O-N 2.92Å; A726-M729 PolarHBondContact O-N 3.1Å; M729-G731 PolarHBondContact O-N 3.49Å; M729-S732 WeakPolarHBondContact CA-OG 3.11Å; M729-S732 WeakPolarHBondContact O-CB 3.25Å; M729-S732 PolarHBondContact O-N 2.98Å; M729-S732 PolarHBondContact O-OG 3.14Å; M729-L766 HydrophobicContact CG-CD1 4.43Å; M729-L798 HydrophobicContact CE-CD2 3.44Å; M729-L798 VanDerWaalsContact CE-CD2 3.44Å; M729-L798 HydrophobicContact CE-CG 4.19Å
730	V	71.6	Confident	69.8	Low	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.8	-33	176.1	171.8	0	0	0	0	111.4	A693 S696 S698 N699 L705 L708 A726	A693-V730 HydrophobicContact CB-CG2 4.32Å; S696-V730 WeakPolarHBondContact O-CA 3.17Å; S698-V730 CarbonylContact C-O 3.59Å; S698-V730 VanDerWaalsContact CA-O 3.31Å; S698-V730 WeakPolarHBondContact CA-O 3.33Å; N699-V730 PolarHBondContact N-O 3.03Å; N699-V730 WeakPolarHBondContact O-CG1 3.31Å; L705-V730 HydrophobicContact CD2-CB 4.46Å; L705-V730 HydrophobicContact CD2-CG1 3.87Å; L708-V730 HydrophobicContact CD1-CG2 4.15Å; A726-V730 WeakPolarHBondContact O-CB 3.38Å; A726-V730 VanDerWaalsContact O-CG2 3.25Å; A726-V730 WeakPolarHBondContact O-CG2 3.21Å; A726-V730 PolarHBondContact O-N 3.27Å
731	G	62.9	Low	69.9	Low	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	1.1	177.9	0	0	0	0	0	116.1	M727 G728 M729 G733 T734	M727-G731 PolarHBondContact O-N 3.02Å; M727-G731 VanDerWaalsContact O-N 3.13Å; G728-G731 CarbonylContact O-C 3.57Å; G728-G731 PolarHBondContact O-N 3.04Å; M729-G731 PolarHBondContact O-N 3.49Å; G731-G733 PolarHBondContact O-N 2.65Å; G731-T734 PolarHBondContact O-N 2.82Å; G731-T734 VanDerWaalsContact O-N 3.16Å; G731-T734 PolarHBondContact O-OG1 3.2Å
732	S	67.9	Low	70	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	127.8	-167.7	-72.2	0	0	0	0	112.2	S698 G728 M729 T734 L766 L776	S698-S732 WeakPolarHBondContact CB-O 3.34Å; S698-S732 PolarHBondContact OG-O 2.88Å; G728-S732 PolarHBondContact O-N 3.42Å; G728-S732 PolarHBondContact O-OG 3.12Å; M729-S732 WeakPolarHBondContact CA-OG 3.11Å; M729-S732 WeakPolarHBondContact O-CB 3.25Å; M729-S732 PolarHBondContact O-N 2.98Å; M729-S732 PolarHBondContact O-OG 3.14Å; S732-T734 PolarHBondContact O-N 3.31Å; S732-L766 VanDerWaalsContact CA-O 3.26Å; S732-L766 WeakPolarHBondContact CA-O 3.18Å; S732-L776 VanDerWaalsContact CB-CD1 3.43Å; S732-L776 VanDerWaalsContact OG-CD1 3.31Å; S732-L776 WeakPolarHBondContact OG-CD1 3.24Å
733	G	62.3	Low	70	Confident	2 Å²	2	20 Å²	20	2%	0.021	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	0.2	178.7	0	0	0	0	0	116.8	G731 L766 G772 L774	G731-G733 PolarHBondContact O-N 2.65Å; G733-L766 PolarHBondContact N-O 3.1Å; G733-G772 CarbonylContact O-C 3.44Å; G733-G772 VanDerWaalsContact O-CA 3.23Å; G733-G772 WeakPolarHBondContact O-CA 3.37Å; G733-G772 VanDerWaalsContact O-O 3.06Å; G733-L774 WeakPolarHBondContact CA-O 3.4Å
734	T	64.7	Low	69.9	Low	37 Å²	37	23 Å²	23	23%	0.227	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-11.7	-177.2	60.9	0	0	0	0	113	S698 P700 G731 S732 N736	S698-T734 WeakPolarHBondContact O-CG2 3.34Å; P700-T734 HydrophobicContact CG-CG2 3.74Å; P700-T734 VanDerWaalsContact CG-OG1 3.3Å; P700-T734 WeakPolarHBondContact CG-OG1 3.14Å; G731-T734 PolarHBondContact O-N 2.82Å; G731-T734 VanDerWaalsContact O-N 3.16Å; G731-T734 PolarHBondContact O-OG1 3.2Å; S732-T734 PolarHBondContact O-N 3.31Å; T734-N736 PolarHBondContact O-N 3.12Å
735	N	64.3	Low	69.8	Low	68 Å²	68	29.8 Å²	29.8	36%	0.364	16%	0.16	S	C	.	.			trans	45.5	39.9	-179.8	-166.3	9.6	0	0	0	113.2	A737 T767 H768	N735-A737 PolarHBondContact O-N 3.09Å; N735-T767 PolarHBondContact N-O 2.95Å; N735-H768 PolarHBondContact OD1-CE1 3.04Å; N735-H768 PolarHBondContact OD1-ND1 3.18Å
736	N	68.5	Low	69.4	Low	46 Å²	46	29.9 Å²	29.9	25%	0.246	16%	0.16	C	C	.	.			trans	-71.1	116.3	-175.8	-175	-16.1	0	0	0	110.7	T734 R738 L739 A740	T734-N736 PolarHBondContact O-N 3.12Å; N736-R738 VanDerWaalsContact C-N 3.26Å; N736-R738 PolarHBondContact O-N 3.43Å; N736-R738 PolarHBondContact OD1-N 3.45Å; N736-R738 VanDerWaalsContact OD1-N 3.11Å; N736-L739 HydrophobicContact CB-CB 4.11Å; N736-L739 PolarHBondContact O-N 3.05Å; N736-L739 VanDerWaalsContact O-N 3.15Å; N736-A740 PolarHBondContact O-N 3.2Å
737	A	69.2	Low	68.9	Low	76 Å²	76	30 Å²	30	63%	0.628	16%	0.162	S	C	*	.	H	α-helix	trans	-58	-34	-176.8	0	0	0	0	0	113.8	N735 A741	N735-A737 PolarHBondContact O-N 3.09Å; A737-A741 WeakPolarHBondContact O-CB 3.33Å; A737-A741 PolarHBondContact O-N 3.32Å
738	R	71.2	Confident	68.6	Low	111 Å²	111	34 Å²	34	42%	0.419	18%	0.18	S	C	.	.	H	α-helix	trans	-71.9	-41.6	178.7	-175.7	173.8	170.7	-178.2	-9.9	111.3	D706 N736 A741 M742	D706-R738 IonicContact OD1-NH2 3.76Å; D706-R738 PolarHBondContact OD1-NH2 3.34Å; D706-R738 IonicContact OD2-NH2 2.77Å; N736-R738 VanDerWaalsContact C-N 3.26Å; N736-R738 PolarHBondContact O-N 3.43Å; N736-R738 PolarHBondContact OD1-N 3.45Å; N736-R738 VanDerWaalsContact OD1-N 3.11Å; R738-A741 WeakPolarHBondContact O-CB 3.5Å; R738-A741 PolarHBondContact O-N 3.25Å; R738-M742 HydrophobicContact CG-CE 4.28Å; R738-M742 WeakPolarHBondContact O-CG 3.16Å; R738-M742 PolarHBondContact O-N 3.16Å
739	L	70.3	Confident	68.4	Low	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65	-44.4	175.6	-178.5	62.2	0	0	0	111.3	L705 M727 N736 A741 M742 L743 T767	L705-L739 HydrophobicContact CD1-CB 4.48Å; L705-L739 HydrophobicContact CD1-CD1 4.35Å; L705-L739 HydrophobicContact CD2-CD1 3.71Å; L705-L739 HydrophobicContact CD2-CD2 4.48Å; M727-L739 HydrophobicContact CB-CD1 4.23Å; M727-L739 HydrophobicContact CE-CD1 3.6Å; N736-L739 HydrophobicContact CB-CB 4.11Å; N736-L739 PolarHBondContact O-N 3.05Å; N736-L739 VanDerWaalsContact O-N 3.15Å; L739-A741 PolarHBondContact O-N 2.95Å; L739-M742 PolarHBondContact O-N 3.45Å; L739-M742 VanDerWaalsContact O-N 3.13Å; L739-L743 HydrophobicContact CD1-CG 4.45Å; L739-L743 HydrophobicContact CG-CD1 4.22Å; L739-L743 WeakPolarHBondContact O-CG 3.39Å; L739-L743 PolarHBondContact O-N 3.37Å; L739-T767 HydrophobicContact CD2-CG2 3.49Å; L739-T767 VanDerWaalsContact CD2-CG2 3.49Å; L739-T767 HydrophobicContact CG-CG2 4.05Å
740	A	68	Low	67.9	Low	15 Å²	15	41.5 Å²	41.5	12%	0.124	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-32.4	174.9	0	0	0	0	0	112.4	N736 R744	N736-A740 PolarHBondContact O-N 3.2Å; A740-R744 VanDerWaalsContact O-CG 3.3Å; A740-R744 WeakPolarHBondContact O-CG 3.45Å; A740-R744 PolarHBondContact O-N 2.96Å; A740-R744 PolarHBondContact O-NE 2.88Å
741	A	73.5	Confident	67.3	Low	31 Å²	31	43.8 Å²	43.8	26%	0.256	23%	0.229	S	C	.	.	H	α-helix	trans	-69.4	-42.7	171.9	0	0	0	0	0	112.5	A737 R738 L739 R744 Q745	A737-A741 WeakPolarHBondContact O-CB 3.33Å; A737-A741 PolarHBondContact O-N 3.32Å; R738-A741 WeakPolarHBondContact O-CB 3.5Å; R738-A741 PolarHBondContact O-N 3.25Å; L739-A741 PolarHBondContact O-N 2.95Å; A741-R744 PolarHBondContact O-N 3.47Å; A741-Q745 WeakPolarHBondContact O-CG 3.45Å; A741-Q745 PolarHBondContact O-N 3.46Å
742	M	73.8	Confident	67	Low	27 Å²	27	52.9 Å²	52.9	13%	0.133	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-45.1	175.8	-72	173.1	166.5	0	0	111.9	D706 M727 R738 L739 R744 Q745 L746	D706-M742 WeakPolarHBondContact OD1-CE 2.95Å; M727-M742 HydrophobicContact CE-CB 4.13Å; R738-M742 HydrophobicContact CG-CE 4.28Å; R738-M742 WeakPolarHBondContact O-CG 3.16Å; R738-M742 PolarHBondContact O-N 3.16Å; L739-M742 PolarHBondContact O-N 3.45Å; L739-M742 VanDerWaalsContact O-N 3.13Å; M742-R744 VanDerWaalsContact C-N 3.32Å; M742-R744 PolarHBondContact O-N 3Å; M742-Q745 PolarHBondContact O-N 2.99Å; M742-L746 WeakPolarHBondContact O-CG 3.39Å; M742-L746 PolarHBondContact O-N 3.21Å
743	L	71.1	Confident	66.9	Low	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-36.4	177.1	-70.9	173.4	0	0	0	112.3	M727 L739 L746 A747 V760 A763 Q764 T767	M727-L743 HydrophobicContact CB-CD2 4.38Å; M727-L743 HydrophobicContact CE-CD2 4.44Å; L739-L743 HydrophobicContact CD1-CG 4.45Å; L739-L743 HydrophobicContact CG-CD1 4.22Å; L739-L743 WeakPolarHBondContact O-CG 3.39Å; L739-L743 PolarHBondContact O-N 3.37Å; L743-L746 PolarHBondContact O-N 3.47Å; L743-A747 PolarHBondContact O-N 3.29Å; L743-V760 VanDerWaalsContact O-CG1 3.29Å; L743-V760 WeakPolarHBondContact O-CG1 2.72Å; L743-A763 HydrophobicContact CD1-CB 4.33Å; L743-A763 HydrophobicContact CD2-CB 4.01Å; L743-Q764 HydrophobicContact CB-CG 3.85Å; L743-Q764 HydrophobicContact CD1-CG 4.08Å; L743-T767 HydrophobicContact CD1-CG2 3.63Å
744	R	70.3	Confident	66.9	Low	64 Å²	64	59.3 Å²	59.3	24%	0.242	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-40.4	172.8	-76.7	179.1	-68.7	145.3	-3	112.6	A740 A741 M742 L746 A747 Q748	A740-R744 VanDerWaalsContact O-CG 3.3Å; A740-R744 WeakPolarHBondContact O-CG 3.45Å; A740-R744 PolarHBondContact O-N 2.96Å; A740-R744 PolarHBondContact O-NE 2.88Å; A741-R744 PolarHBondContact O-N 3.47Å; M742-R744 VanDerWaalsContact C-N 3.32Å; M742-R744 PolarHBondContact O-N 3Å; R744-L746 VanDerWaalsContact C-N 3.31Å; R744-L746 PolarHBondContact O-N 3.35Å; R744-A747 PolarHBondContact O-N 3.37Å; R744-Q748 PolarHBondContact O-N 3.32Å; R744-Q748 VanDerWaalsContact O-N 3.16Å
745	Q	72.9	Confident	67	Low	142 Å²	142	60 Å²	60	66%	0.664	31%	0.308	S	S	*	.	H	α-helix	trans	-64.2	-38.1	174.3	-71.2	176.4	-2.6	0	0	111.8	A741 M742 Q748 Y749	A741-Q745 WeakPolarHBondContact O-CG 3.45Å; A741-Q745 PolarHBondContact O-N 3.46Å; M742-Q745 PolarHBondContact O-N 2.99Å; Q745-Q748 PolarHBondContact O-N 2.87Å; Q745-Y749 PolarHBondContact O-N 3.27Å; Q745-Y749 VanDerWaalsContact O-N 3.08Å
746	L	65.3	Low	67	Low	3 Å²	3	57.2 Å²	57.2	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-68.5	-38.4	175.7	-72.4	167.2	0	0	0	112.7	S712 M727 M742 L743 R744 Q748 Y749 H750 V760	S712-L746 WeakPolarHBondContact OG-CD2 3.25Å; M727-L746 HydrophobicContact CE-CD1 4.13Å; M727-L746 HydrophobicContact SD-CD1 4.06Å; M742-L746 WeakPolarHBondContact O-CG 3.39Å; M742-L746 PolarHBondContact O-N 3.21Å; L743-L746 PolarHBondContact O-N 3.47Å; R744-L746 VanDerWaalsContact C-N 3.31Å; R744-L746 PolarHBondContact O-N 3.35Å; L746-Q748 VanDerWaalsContact C-N 3.3Å; L746-Q748 PolarHBondContact O-N 3.38Å; L746-Y749 PolarHBondContact O-N 3.45Å; L746-H750 PolarHBondContact O-N 3.33Å; L746-V760 HydrophobicContact CB-CG2 4.36Å
747	A	64.1	Low	66.9	Low	3 Å²	3	55.7 Å²	55.7	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-43.8	173.4	0	0	0	0	0	111.4	L743 R744 A751 L757 V760	L743-A747 PolarHBondContact O-N 3.29Å; R744-A747 PolarHBondContact O-N 3.37Å; A747-A751 PolarHBondContact O-N 3.49Å; A747-A751 VanDerWaalsContact O-N 3.12Å; A747-L757 HydrophobicContact CB-CD1 4.3Å; A747-V760 HydrophobicContact CB-CG1 3.75Å
748	Q	65.4	Low	66.7	Low	84 Å²	84	52.3 Å²	52.3	39%	0.393	26%	0.256	S	S	.	.	H	α-helix	trans	-67	-36	177.7	-173.6	65.5	67	0	0	112.9	R744 Q745 L746	R744-Q748 PolarHBondContact O-N 3.32Å; R744-Q748 VanDerWaalsContact O-N 3.16Å; Q745-Q748 PolarHBondContact O-N 2.87Å; L746-Q748 VanDerWaalsContact C-N 3.3Å; L746-Q748 PolarHBondContact O-N 3.38Å
749	Y	66.1	Low	66.4	Low	147 Å²	147	47 Å²	47	58%	0.576	24%	0.236	S	C	*	.	H	α-helix	trans	-71.2	-43.7	179.3	-176.2	-96.1	0	0	0	111.9	H713 Q745 L746 A751	H713-Y749 AromaticContact CE1-CD1 3.77Å; H713-Y749 AromaticContact CE1-CG 3.82Å; H713-Y749 AromaticContact ND1-CD1 3.56Å; H713-Y749 AromaticContact ND1-CE1 3.39Å; H713-Y749 WeakPolarHBondContact ND1-CE1 3.44Å; H713-Y749 AromaticContact ND1-CZ 3.7Å; Q745-Y749 PolarHBondContact O-N 3.27Å; Q745-Y749 VanDerWaalsContact O-N 3.08Å; L746-Y749 PolarHBondContact O-N 3.45Å; Y749-A751 VanDerWaalsContact C-N 3.33Å; Y749-A751 PolarHBondContact O-N 3.22Å
750	H	62.4	Low	66.3	Low	15 Å²	15	47 Å²	47	7%	0.069	24%	0.236	C	C	.	.	S	Bend	trans	-91.5	16	-179.1	-71.6	-65	0	0	0	113.9	S712 L746 K752 D753 N756	S712-H750 PolarHBondContact O-NE2 3.49Å; S712-H750 VanDerWaalsContact O-NE2 3.07Å; L746-H750 PolarHBondContact O-N 3.33Å; H750-K752 PolarHBondContact O-N 2.81Å; H750-D753 PolarHBondContact O-N 3.18Å; H750-N756 HydrophobicContact CB-CB 3.78Å; H750-N756 PolarHBondContact ND1-ND2 3.44Å
751	A	59	Low	66.4	Low	49 Å²	49	47.6 Å²	47.6	41%	0.405	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.3	-177.3	0	0	0	0	0	114.6	A747 Y749	A747-A751 PolarHBondContact O-N 3.49Å; A747-A751 VanDerWaalsContact O-N 3.12Å; Y749-A751 VanDerWaalsContact C-N 3.33Å; Y749-A751 PolarHBondContact O-N 3.22Å
752	K	57	Low	66.2	Low	190 Å²	190	46.1 Å²	46.1	83%	0.826	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-19.1	178.3	-65.7	-176.4	179.2	-178.9	0	114	H750	H750-K752 PolarHBondContact O-N 2.81Å
753	D	66.2	Low	65.9	Low	84 Å²	84	44.9 Å²	44.9	45%	0.449	22%	0.216	S	C	.	.			trans	-108.9	107.7	-176	-71.4	-33.8	0	0	0	111.2	H750 N755 N756 L757	H750-D753 PolarHBondContact O-N 3.18Å; D753-N755 VanDerWaalsContact C-N 3.27Å; D753-N755 PolarHBondContact O-N 3.3Å; D753-N756 HydrophobicContact CB-CB 4.06Å; D753-N756 PolarHBondContact O-N 3.26Å; D753-N756 PolarHBondContact OD2-ND2 3.41Å; D753-L757 WeakPolarHBondContact O-CB 3.15Å; D753-L757 PolarHBondContact O-N 2.73Å
754	P	62.5	Low	65.8	Low	54 Å²	54	45.1 Å²	45.1	35%	0.351	22%	0.217	S	C	.	.	H	α-helix	trans	-59.6	-30.9	-175.4	-26.9	35.1	0	0	0	115	F758	P754-F758 WeakPolarHBondContact O-CB 3.32Å; P754-F758 PolarHBondContact O-N 3.47Å
755	N	66	Low	65.6	Low	52 Å²	52	42 Å²	42	28%	0.278	21%	0.206	S	C	.	.	H	α-helix	trans	-76.5	-41.9	-178.6	-64.6	-11.4	0	0	0	112.2	R365 H721 D753 L757 F758 M759 L809	R365-N755 PolarHBondContact NH1-OD1 3.48Å; H721-N755 VanDerWaalsContact NE2-CB 3.32Å; H721-N755 WeakPolarHBondContact NE2-CB 3.35Å; D753-N755 VanDerWaalsContact C-N 3.27Å; D753-N755 PolarHBondContact O-N 3.3Å; N755-L757 VanDerWaalsContact C-N 3.33Å; N755-F758 PolarHBondContact O-N 2.99Å; N755-M759 PolarHBondContact O-N 3.37Å; N755-M759 VanDerWaalsContact O-N 3.15Å; N755-L809 HydrophobicContact CB-CD1 4.3Å; N755-L809 HydrophobicContact CB-CD2 3.67Å
756	N	64.6	Low	65.3	Low	8 Å²	8	35.3 Å²	35.3	4%	0.043	17%	0.174	C	C	.	.	H	α-helix	trans	-65.7	-41.3	174.4	-69.9	-18.7	0	0	0	109.9	H721 H750 D753 F758 M759 V760	H721-N756 PolarHBondContact CD2-OD1 3.08Å; H721-N756 PolarHBondContact CE1-OD1 3.05Å; H721-N756 PolarHBondContact NE2-OD1 3.14Å; H750-N756 HydrophobicContact CB-CB 3.78Å; H750-N756 PolarHBondContact ND1-ND2 3.44Å; D753-N756 HydrophobicContact CB-CB 4.06Å; D753-N756 PolarHBondContact O-N 3.26Å; D753-N756 PolarHBondContact OD2-ND2 3.41Å; N756-F758 PolarHBondContact O-N 3.23Å; N756-M759 PolarHBondContact O-N 3.49Å; N756-V760 WeakPolarHBondContact O-CG2 3.46Å; N756-V760 PolarHBondContact O-N 3.41Å
757	L	65.6	Low	65.4	Low	14 Å²	14	35.4 Å²	35.4	7%	0.073	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-39	177.5	-170.8	65.6	0	0	0	112.7	A747 D753 N755 M759 V760 R761	A747-L757 HydrophobicContact CB-CD1 4.3Å; D753-L757 WeakPolarHBondContact O-CB 3.15Å; D753-L757 PolarHBondContact O-N 2.73Å; N755-L757 VanDerWaalsContact C-N 3.33Å; L757-M759 VanDerWaalsContact C-N 3.32Å; L757-M759 PolarHBondContact O-N 2.94Å; L757-V760 PolarHBondContact O-N 3.35Å; L757-R761 WeakPolarHBondContact O-CG 3.43Å; L757-R761 PolarHBondContact O-N 3.11Å; L757-R761 VanDerWaalsContact O-N 3.08Å
758	F	64.5	Low	65.4	Low	6 Å²	6	36.6 Å²	36.6	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-57.4	-46.3	171.7	176.3	-93.5	0	0	0	111.1	R365 L368 A369 F372 P754 N755 N756 R761 L762 H813	R365-F758 WeakPolarHBondContact O-CD2 3.31Å; L368-F758 HydrophobicContact CB-CE2 4.19Å; L368-F758 HydrophobicContact CD2-CE2 4.13Å; L368-F758 HydrophobicContact CD2-CZ 4.42Å; L368-F758 HydrophobicContact CG-CE2 3.95Å; L368-F758 HydrophobicContact CG-CZ 4.45Å; A369-F758 HydrophobicContact CB-CD2 3.53Å; A369-F758 HydrophobicContact CB-CE2 3.83Å; A369-F758 HydrophobicContact CB-CG 4.42Å; F372-F758 HydrophobicContact CD2-CE2 4.39Å; F372-F758 HydrophobicContact CD2-CZ 4.11Å; F372-F758 HydrophobicContact CE2-CZ 4.23Å; P754-F758 WeakPolarHBondContact O-CB 3.32Å; P754-F758 PolarHBondContact O-N 3.47Å; N755-F758 PolarHBondContact O-N 2.99Å; N756-F758 PolarHBondContact O-N 3.23Å; F758-R761 PolarHBondContact O-N 3.07Å; F758-L762 PolarHBondContact O-N 3.36Å; F758-H813 AromaticContact CZ-CD2 3.99Å
759	M	65.9	Low	65.3	Low	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.7	-39.7	-179.6	-161.4	61.6	74.4	0	0	113	H721 I724 F725 N755 N756 L757 R761 L762 A763 F801 V804 I808	H721-M759 HydrophobicContact CB-CE 4.2Å; H721-M759 HydrophobicContact CB-CG 4.45Å; H721-M759 WeakPolarHBondContact O-CG 3.41Å; I724-M759 HydrophobicContact CB-CG 4.14Å; I724-M759 HydrophobicContact CG2-CB 4.19Å; I724-M759 HydrophobicContact CG2-CG 3.94Å; F725-M759 HydrophobicContact CB-CG 4.2Å; F725-M759 HydrophobicContact CB-SD 3.78Å; F725-M759 HydrophobicContact CD2-SD 4Å; F725-M759 HydrophobicContact CG-SD 4.26Å; N755-M759 PolarHBondContact O-N 3.37Å; N755-M759 VanDerWaalsContact O-N 3.15Å; N756-M759 PolarHBondContact O-N 3.49Å; L757-M759 VanDerWaalsContact C-N 3.32Å; L757-M759 PolarHBondContact O-N 2.94Å; M759-R761 VanDerWaalsContact C-N 3.31Å; M759-R761 PolarHBondContact O-N 2.97Å; M759-L762 PolarHBondContact O-N 3.38Å; M759-L762 HydrophobicContact SD-CD2 4.04Å; M759-A763 WeakPolarHBondContact O-CB 3.18Å; M759-A763 PolarHBondContact O-N 2.95Å; M759-F801 HydrophobicContact CE-CE1 3.77Å; M759-F801 HydrophobicContact SD-CE1 3.99Å; M759-F801 HydrophobicContact SD-CZ 4.49Å; M759-V804 HydrophobicContact CE-CG1 3.8Å; M759-I808 HydrophobicContact CE-CG2 4.41Å
760	V	68.4	Low	64.8	Low	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63	-40.7	176.1	176.4	0	0	0	0	110.8	I724 L743 L746 A747 N756 L757 A763 Q764	I724-V760 HydrophobicContact CD1-CG2 3.84Å; I724-V760 HydrophobicContact CG1-CG2 4.29Å; I724-V760 VanDerWaalsContact CG2-CA 3.48Å; I724-V760 HydrophobicContact CG2-CB 4.13Å; I724-V760 HydrophobicContact CG2-CG2 3.63Å; L743-V760 VanDerWaalsContact O-CG1 3.29Å; L743-V760 WeakPolarHBondContact O-CG1 2.72Å; L746-V760 HydrophobicContact CB-CG2 4.36Å; A747-V760 HydrophobicContact CB-CG1 3.75Å; N756-V760 WeakPolarHBondContact O-CG2 3.46Å; N756-V760 PolarHBondContact O-N 3.41Å; L757-V760 PolarHBondContact O-N 3.35Å; V760-A763 PolarHBondContact O-N 3.12Å; V760-Q764 WeakPolarHBondContact O-CG 3.46Å; V760-Q764 PolarHBondContact O-N 3.42Å
761	R	69.3	Low	64.6	Low	26 Å²	26	25.3 Å²	25.3	10%	0.098	13%	0.132	C	C	.	.	H	α-helix	trans	-69	-40.8	178	-72.3	178.6	177.2	166.2	-1.2	112.2	Y345 M366 A369 V373 L757 F758 M759 A763 Q764 G765	Y345-R761 HydrophobicContact CD1-CG 4.4Å; Y345-R761 HydrophobicContact CE1-CB 3.99Å; Y345-R761 HydrophobicContact CE1-CG 3.65Å; M366-R761 PolarHBondContact SD-NH1 2.95Å; A369-R761 HydrophobicContact CB-CB 4.1Å; V373-R761 HydrophobicContact CG2-CB 4.45Å; V373-R761 WeakPolarHBondContact CG2-O 3.28Å; L757-R761 WeakPolarHBondContact O-CG 3.43Å; L757-R761 PolarHBondContact O-N 3.11Å; L757-R761 VanDerWaalsContact O-N 3.08Å; F758-R761 PolarHBondContact O-N 3.07Å; M759-R761 VanDerWaalsContact C-N 3.31Å; M759-R761 PolarHBondContact O-N 2.97Å; R761-A763 VanDerWaalsContact C-N 3.31Å; R761-A763 PolarHBondContact O-N 3.46Å; R761-Q764 WeakPolarHBondContact O-CB 3.38Å; R761-Q764 PolarHBondContact O-N 3.19Å; R761-G765 PolarHBondContact O-N 2.87Å
762	L	68.9	Low	64.5	Low	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-57.6	-46.4	172	-178.5	64.8	0	0	0	111	F372 F376 F725 F758 M759 Q764 G765 L766 L816	F372-L762 HydrophobicContact CB-CD1 4.06Å; F372-L762 HydrophobicContact CG-CD1 4.39Å; F376-L762 HydrophobicContact CD2-CD1 4.08Å; F376-L762 HydrophobicContact CE2-CD1 3.49Å; F376-L762 VanDerWaalsContact CE2-CD1 3.49Å; F376-L762 HydrophobicContact CZ-CD1 4.47Å; F725-L762 HydrophobicContact CD2-CD2 3.99Å; F725-L762 HydrophobicContact CE2-CD2 3.99Å; F758-L762 PolarHBondContact O-N 3.36Å; M759-L762 PolarHBondContact O-N 3.38Å; M759-L762 HydrophobicContact SD-CD2 4.04Å; L762-Q764 VanDerWaalsContact C-N 3.34Å; L762-Q764 PolarHBondContact O-N 3.15Å; L762-G765 PolarHBondContact O-N 3.24Å; L762-L766 HydrophobicContact CG-CD1 4.48Å; L762-L766 WeakPolarHBondContact O-CG 3.44Å; L762-L766 PolarHBondContact O-N 3.12Å; L762-L816 HydrophobicContact CD1-CD1 4.27Å; L762-L816 HydrophobicContact CD2-CD1 3.73Å; L762-L816 HydrophobicContact CD2-CD2 4.32Å
763	A	69.2	Low	64.5	Low	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.2	-40.1	176.1	0	0	0	0	0	112.5	I724 L743 M759 V760 R761 L766 T767	I724-A763 HydrophobicContact CG2-CB 4.12Å; I724-A763 WeakPolarHBondContact O-CB 3.36Å; L743-A763 HydrophobicContact CD1-CB 4.33Å; L743-A763 HydrophobicContact CD2-CB 4.01Å; M759-A763 WeakPolarHBondContact O-CB 3.18Å; M759-A763 PolarHBondContact O-N 2.95Å; V760-A763 PolarHBondContact O-N 3.12Å; R761-A763 VanDerWaalsContact C-N 3.31Å; R761-A763 PolarHBondContact O-N 3.46Å; A763-L766 PolarHBondContact O-N 3.01Å; A763-T767 WeakPolarHBondContact O-CG2 3.42Å; A763-T767 PolarHBondContact O-N 3.12Å; A763-T767 PolarHBondContact O-OG1 2.99Å
764	Q	68.6	Low	64	Low	5 Å²	5	10.7 Å²	10.7	2%	0.023	6%	0.059	C	C	.	.	H	α-helix	trans	-62.5	-43.1	173.5	-72.8	171.3	-14.1	0	0	111.9	I344 Y345 L743 V760 R761 L762 L766 T767 H768	I344-Q764 HydrophobicContact CG2-CB 4.41Å; Y345-Q764 VanDerWaalsContact CD1-OE1 3.3Å; L743-Q764 HydrophobicContact CB-CG 3.85Å; L743-Q764 HydrophobicContact CD1-CG 4.08Å; V760-Q764 WeakPolarHBondContact O-CG 3.46Å; V760-Q764 PolarHBondContact O-N 3.42Å; R761-Q764 WeakPolarHBondContact O-CB 3.38Å; R761-Q764 PolarHBondContact O-N 3.19Å; L762-Q764 VanDerWaalsContact C-N 3.34Å; L762-Q764 PolarHBondContact O-N 3.15Å; Q764-L766 VanDerWaalsContact C-N 3.35Å; Q764-L766 PolarHBondContact O-N 3.49Å; Q764-T767 WeakPolarHBondContact CA-OG1 3.47Å; Q764-T767 PolarHBondContact O-N 3.42Å; Q764-T767 PolarHBondContact O-OG1 3.41Å; Q764-H768 PolarHBondContact O-CD2 3.04Å; Q764-H768 VanDerWaalsContact O-CD2 3.29Å; Q764-H768 PolarHBondContact O-N 3.34Å
765	G	65.3	Low	63.7	Low	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-58	-45.7	173.9	0	0	0	0	0	112.4	R761 L762 H768 L769	R761-G765 PolarHBondContact O-N 2.87Å; L762-G765 PolarHBondContact O-N 3.24Å; G765-H768 CarbonylContact O-C 3.47Å; G765-H768 PolarHBondContact O-N 3.21Å; G765-L769 PolarHBondContact O-N 2.73Å; G765-L769 VanDerWaalsContact O-N 3.16Å
766	L	66.8	Low	63.2	Low	1 Å²	1	6.1 Å²	6.1	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-63.3	-41.3	176.2	-70.1	173.6	0	0	0	112.5	F376 F725 M729 S732 G733 L762 A763 Q764 H768 L769 L819	F376-L766 HydrophobicContact CD1-CD2 4.1Å; F376-L766 HydrophobicContact CD2-CD2 4.29Å; F376-L766 HydrophobicContact CE1-CD2 4.1Å; F376-L766 HydrophobicContact CE2-CD2 4.32Å; F376-L766 HydrophobicContact CG-CD2 4.21Å; F376-L766 HydrophobicContact CZ-CD2 4.22Å; F725-L766 HydrophobicContact CD2-CD1 4.18Å; F725-L766 HydrophobicContact CE2-CD1 3.57Å; F725-L766 HydrophobicContact CZ-CD1 4.22Å; M729-L766 HydrophobicContact CG-CD1 4.43Å; S732-L766 VanDerWaalsContact CA-O 3.26Å; S732-L766 WeakPolarHBondContact CA-O 3.18Å; G733-L766 PolarHBondContact N-O 3.1Å; L762-L766 HydrophobicContact CG-CD1 4.48Å; L762-L766 WeakPolarHBondContact O-CG 3.44Å; L762-L766 PolarHBondContact O-N 3.12Å; A763-L766 PolarHBondContact O-N 3.01Å; Q764-L766 VanDerWaalsContact C-N 3.35Å; Q764-L766 PolarHBondContact O-N 3.49Å; L766-H768 PolarHBondContact O-N 3.44Å; L766-H768 VanDerWaalsContact O-N 3.15Å; L766-L769 VanDerWaalsContact O-CB 3.22Å; L766-L769 WeakPolarHBondContact O-CB 3.47Å; L766-L769 PolarHBondContact O-N 2.96Å; L766-L819 HydrophobicContact CD2-CD2 3.49Å; L766-L819 VanDerWaalsContact CD2-CD2 3.49Å
767	T	67.8	Low	62.5	Low	4 Å²	4	6.2 Å²	6.2	3%	0.025	3%	0.034	C	C	.	.	H	α-helix	trans	-62	-24.6	176.9	54.2	0	0	0	0	114.1	N735 L739 L743 A763 Q764	N735-T767 PolarHBondContact N-O 2.95Å; L739-T767 HydrophobicContact CD2-CG2 3.49Å; L739-T767 VanDerWaalsContact CD2-CG2 3.49Å; L739-T767 HydrophobicContact CG-CG2 4.05Å; L743-T767 HydrophobicContact CD1-CG2 3.63Å; A763-T767 WeakPolarHBondContact O-CG2 3.42Å; A763-T767 PolarHBondContact O-N 3.12Å; A763-T767 PolarHBondContact O-OG1 2.99Å; Q764-T767 WeakPolarHBondContact CA-OG1 3.47Å; Q764-T767 PolarHBondContact O-N 3.42Å; Q764-T767 PolarHBondContact O-OG1 3.41Å
768	H	64.4	Low	61.9	Low	28 Å²	28	5.7 Å²	5.7	13%	0.13	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	20.9	177.6	-65.9	-71.1	0	0	0	112.8	I344 V377 N735 Q764 G765 L766 G770 K771	I344-H768 HydrophobicContact CD1-CB 4.46Å; I344-H768 VanDerWaalsContact CG2-CD2 3.42Å; I344-H768 WeakPolarHBondContact CG2-CD2 3.38Å; V377-H768 HydrophobicContact CG2-CB 4.16Å; N735-H768 PolarHBondContact OD1-CE1 3.04Å; N735-H768 PolarHBondContact OD1-ND1 3.18Å; Q764-H768 PolarHBondContact O-CD2 3.04Å; Q764-H768 VanDerWaalsContact O-CD2 3.29Å; Q764-H768 PolarHBondContact O-N 3.34Å; G765-H768 CarbonylContact O-C 3.47Å; G765-H768 PolarHBondContact O-N 3.21Å; L766-H768 PolarHBondContact O-N 3.44Å; L766-H768 VanDerWaalsContact O-N 3.15Å; H768-G770 PolarHBondContact O-N 3.45Å; H768-K771 WeakPolarHBondContact O-CA 3.39Å; H768-K771 PolarHBondContact O-N 2.94Å
769	L	61.9	Low	61.3	Low	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-49.6	125.9	178.8	-168.5	75.1	0	0	0	111.5	F376 G765 L766 K771 G772 L774 L776 M823	F376-L769 HydrophobicContact CB-CD1 3.81Å; F376-L769 HydrophobicContact CD1-CD1 3.55Å; F376-L769 HydrophobicContact CG-CD1 4.07Å; F376-L769 WeakPolarHBondContact O-CA 3.22Å; G765-L769 PolarHBondContact O-N 2.73Å; G765-L769 VanDerWaalsContact O-N 3.16Å; L766-L769 VanDerWaalsContact O-CB 3.22Å; L766-L769 WeakPolarHBondContact O-CB 3.47Å; L766-L769 PolarHBondContact O-N 2.96Å; L769-K771 PolarHBondContact O-N 3Å; L769-K771 VanDerWaalsContact O-N 3.12Å; L769-G772 PolarHBondContact O-N 3.48Å; L769-L774 HydrophobicContact CD2-CB 3.99Å; L769-L774 HydrophobicContact CG-CB 4.06Å; L769-L776 HydrophobicContact CD2-CD1 4.44Å; L769-L776 HydrophobicContact CD2-CD2 4.03Å; L769-L776 HydrophobicContact CD2-CG 4Å; L769-M823 HydrophobicContact CD1-CE 3.5Å; L769-M823 VanDerWaalsContact CD1-CE 3.5Å; L769-M823 HydrophobicContact CD1-SD 4.1Å; L769-M823 HydrophobicContact CD2-CE 3.93Å; L769-M823 HydrophobicContact CD2-CG 4.22Å; L769-M823 HydrophobicContact CD2-SD 4.44Å; L769-M823 HydrophobicContact CG-CE 3.77Å
770	G	55.7	Low	60.5	Low	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	53.4	31.4	-177.2	0	0	0	0	0	113.3	F376 F381 H768 G772 T773	F376-G770 PolarHBondContact O-N 3.24Å; F381-G770 WeakPolarHBondContact CE2-O 3.42Å; H768-G770 PolarHBondContact O-N 3.45Å; G770-G772 PolarHBondContact O-N 3.41Å; G770-T773 PolarHBondContact O-N 3.03Å; G770-T773 PolarHBondContact O-OG1 3.02Å
771	K	58.3	Low	59.3	Low	10 Å²	10	9 Å²	9	4%	0.043	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	58.5	14.8	-173.8	-52.5	173.1	-172.1	175.8	0	114.4	I335 M336 E337 V377 N378 F381 H768 L769	I335-K771 HydrophobicContact CG2-CB 3.62Å; I335-K771 HydrophobicContact CG2-CD 3.26Å; I335-K771 HydrophobicContact CG2-CG 4.05Å; I335-K771 WeakPolarHBondContact O-CD 3.41Å; I335-K771 PolarHBondContact O-NZ 3.08Å; M336-K771 PolarHBondContact O-NZ 3.41Å; E337-K771 PolarHBondContact O-NZ 3.37Å; V377-K771 HydrophobicContact CG1-CG 4.37Å; V377-K771 WeakPolarHBondContact O-CG 3.21Å; V377-K771 PolarHBondContact O-N 3.03Å; N378-K771 WeakPolarHBondContact OD1-CE 3.48Å; F381-K771 HydrophobicContact CD2-CD 4.38Å; F381-K771 HydrophobicContact CE1-CD 4.43Å; F381-K771 HydrophobicContact CE2-CB 4.48Å; F381-K771 HydrophobicContact CE2-CD 4.08Å; F381-K771 HydrophobicContact CE2-CG 4.17Å; F381-K771 HydrophobicContact CZ-CB 4.49Å; F381-K771 HydrophobicContact CZ-CD 4.11Å; F381-K771 HydrophobicContact CZ-CG 4.46Å; H768-K771 WeakPolarHBondContact O-CA 3.39Å; H768-K771 PolarHBondContact O-N 2.94Å; L769-K771 PolarHBondContact O-N 3Å; L769-K771 VanDerWaalsContact O-N 3.12Å
772	G	58.3	Low	58.2	Low	12 Å²	12	11.8 Å²	11.8	12%	0.124	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	107	4.3	-177.1	0	0	0	0	0	115	G733 L769 G770	G733-G772 CarbonylContact O-C 3.44Å; G733-G772 VanDerWaalsContact O-CA 3.23Å; G733-G772 WeakPolarHBondContact O-CA 3.37Å; G733-G772 VanDerWaalsContact O-O 3.06Å; L769-G772 PolarHBondContact O-N 3.48Å; G770-G772 PolarHBondContact O-N 3.41Å
773	T	55.4	Low	57.3	Low	2 Å²	2	16 Å²	16	1%	0.012	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-14.6	-177	65.8	0	0	0	0	113.8	F326 L329 F381 G770 R826 L871	F326-T773 WeakPolarHBondContact CE2-OG1 3.22Å; F326-T773 WeakPolarHBondContact CZ-OG1 3.13Å; L329-T773 HydrophobicContact CD2-CG2 4.45Å; F381-T773 HydrophobicContact CZ-CG2 4.3Å; G770-T773 PolarHBondContact O-N 3.03Å; G770-T773 PolarHBondContact O-OG1 3.02Å; T773-R826 PolarHBondContact O-N 3.21Å; T773-L871 HydrophobicContact CG2-CD1 4.11Å; T773-L871 HydrophobicContact CG2-CD2 4.11Å
774	L	57.4	Low	56.2	Low	2 Å²	2	19.5 Å²	19.5	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	140.5	-177.1	-61.7	175.4	0	0	0	111	F326 A379 G733 L769 M823 Q824 P825	F326-L774 HydrophobicContact CE2-CD2 4Å; F326-L774 HydrophobicContact CZ-CD2 4.16Å; F326-L774 HydrophobicContact CZ-CG 4.43Å; A379-L774 HydrophobicContact CB-CD1 3.75Å; G733-L774 WeakPolarHBondContact CA-O 3.4Å; L769-L774 HydrophobicContact CD2-CB 3.99Å; L769-L774 HydrophobicContact CG-CB 4.06Å; L774-M823 HydrophobicContact CB-CE 4.44Å; L774-M823 HydrophobicContact CD1-CE 3.41Å; L774-M823 VanDerWaalsContact CD1-CE 3.41Å; L774-Q824 CarbonylContact C-O 3.46Å; L774-Q824 WeakPolarHBondContact CA-O 3.12Å; L774-P825 HydrophobicContact CD2-CB 4Å
775	T	55	Low	55.4	Low	8 Å²	8	19.5 Å²	19.5	5%	0.049	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	160.3	175.9	33.3	0	0	0	0	112.5	M823 Q824 R826	T775-M823 WeakPolarHBondContact O-CA 3.29Å; T775-Q824 PolarHBondContact N-O 3.28Å; T775-Q824 PolarHBondContact O-N 3.37Å; T775-Q824 PolarHBondContact OG1-O 3.45Å; T775-R826 HydrophobicContact CG2-CG 3.33Å; T775-R826 VanDerWaalsContact CG2-CZ 3.46Å; T775-R826 VanDerWaalsContact CG2-NH1 3.29Å; T775-R826 WeakPolarHBondContact OG1-CG 3.49Å
776	L	56.2	Low	54.8	Low	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.105	C	C	.	.			trans	-110	19.7	175.6	-59.2	172.3	0	0	0	112.4	S698 S732 L769 P778 L794 L819 A822 M823	S698-L776 PolarHBondContact OG-N 3.32Å; S698-L776 VanDerWaalsContact OG-N 3.07Å; S732-L776 VanDerWaalsContact CB-CD1 3.43Å; S732-L776 VanDerWaalsContact OG-CD1 3.31Å; S732-L776 WeakPolarHBondContact OG-CD1 3.24Å; L769-L776 HydrophobicContact CD2-CD1 4.44Å; L769-L776 HydrophobicContact CD2-CD2 4.03Å; L769-L776 HydrophobicContact CD2-CG 4Å; L776-P778 WeakPolarHBondContact O-CD 3.47Å; L776-L794 HydrophobicContact CB-CD2 4.45Å; L776-L819 HydrophobicContact CD1-CD1 3.91Å; L776-L819 HydrophobicContact CD1-CD2 3.74Å; L776-L819 HydrophobicContact CD1-CG 4Å; L776-L819 HydrophobicContact CD2-CD1 3.84Å; L776-L819 HydrophobicContact CD2-CD2 4.08Å; L776-L819 HydrophobicContact CD2-CG 3.58Å; L776-L819 HydrophobicContact CG-CD1 4.42Å; L776-L819 HydrophobicContact CG-CG 4.43Å; L776-A822 WeakPolarHBondContact CA-O 3.36Å; L776-A822 HydrophobicContact CD2-CB 4.34Å; L776-M823 HydrophobicContact CD2-CG 3.58Å
777	C	49.1	Very low	54.2	Low	11 Å²	11	21.4 Å²	21.4	7%	0.074	11%	0.106	C	C	.	.			trans	-69.7	120.2	-178.8	-70.8	0	0	0	0	109.5	A697 Y779 H780	A697-C777 PolarHBondContact O-SG 3.19Å; C777-Y779 PolarHBondContact O-N 3.34Å; C777-H780 PolarHBondContact O-CE1 3.44Å
778	P	54.2	Low	53.8	Low	3 Å²	3	22.6 Å²	22.6	2%	0.019	11%	0.111	C	C	.	.	S	Bend	trans	-71.6	-12.4	177.4	-21.9	37	0	0	0	114	M660 L776 S787 A790 V791 L794	M660-P778 HydrophobicContact CE-CB 4.44Å; M660-P778 HydrophobicContact CE-CG 3.8Å; L776-P778 WeakPolarHBondContact O-CD 3.47Å; P778-S787 PolarHBondContact O-N 3.31Å; P778-A790 HydrophobicContact CB-CB 4.2Å; P778-V791 HydrophobicContact CB-CG2 3.51Å; P778-V791 HydrophobicContact CG-CG2 4.34Å; P778-L794 HydrophobicContact CG-CD1 3.22Å; P778-L794 HydrophobicContact CG-CG 4.24Å
779	Y	50.8	Low	53.3	Low	34 Å²	34	22.4 Å²	22.4	13%	0.133	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.1	-177.9	-67.5	-93.9	0	0	0	111.3	M660 G661 C777 R783 L785 M786	M660-Y779 HydrophobicContact CB-CE2 3.78Å; M660-Y779 WeakPolarHBondContact CB-OH 3.48Å; M660-Y779 HydrophobicContact CE-CD2 4.27Å; M660-Y779 HydrophobicContact CE-CE2 3.73Å; M660-Y779 HydrophobicContact SD-CE2 4.41Å; G661-Y779 PolarHBondContact N-OH 2.94Å; C777-Y779 PolarHBondContact O-N 3.34Å; Y779-R783 VanDerWaalsContact CD1-O 3.26Å; Y779-R783 WeakPolarHBondContact CD1-O 3.32Å; Y779-L785 VanDerWaalsContact CA-O 3.26Å; Y779-L785 WeakPolarHBondContact CA-O 2.92Å; Y779-M786 HydrophobicContact CD1-CB 4.12Å; Y779-M786 HydrophobicContact CE1-CB 3.79Å; Y779-M786 HydrophobicContact CE1-CE 4.08Å; Y779-M786 HydrophobicContact CE1-CG 4.18Å; Y779-M786 WeakPolarHBondContact OH-CE 3.35Å
780	H	48.9	Very low	53	Low	25 Å²	25	22.4 Å²	22.4	12%	0.116	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	161.2	173.8	-67.8	77.1	0	0	0	109.8	C777 L785 Q824	C777-H780 PolarHBondContact O-CE1 3.44Å; H780-L785 PolarHBondContact N-O 3.08Å; H780-L785 WeakPolarHBondContact O-CB 3.44Å; H780-L785 PolarHBondContact O-N 3.23Å; H780-Q824 PolarHBondContact CE1-NE2 3.41Å; H780-Q824 VanDerWaalsContact CE1-NE2 3.25Å; H780-Q824 PolarHBondContact CE1-OE1 2.9Å; H780-Q824 PolarHBondContact NE2-OE1 3.49Å
781	S	43.3	Very low	53.1	Low	15 Å²	15	22.5 Å²	22.5	11%	0.105	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	75.6	-179.4	-58.5	0	0	0	0	111.4	R263 R783 Q784 E893	R263-S781 PolarHBondContact NH2-O 3.49Å; S781-R783 VanDerWaalsContact C-N 3.3Å; S781-R783 PolarHBondContact O-N 3.09Å; S781-Q784 PolarHBondContact O-N 3.44Å; S781-Q784 VanDerWaalsContact O-N 3.1Å; S781-E893 WeakPolarHBondContact CA-OE1 3.23Å; S781-E893 WeakPolarHBondContact CA-OE2 3.25Å; S781-E893 PolarHBondContact N-OE2 2.71Å
782	D	46.3	Very low	52.9	Low	85 Å²	85	22.1 Å²	22.1	46%	0.455	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	42.1	170.7	-160.2	27.7	0	0	0	114.3	Q784 E893	D782-Q784 WeakPolarHBondContact O-CG 3.33Å; D782-Q784 PolarHBondContact O-N 3.49Å; D782-E893 PolarHBondContact N-OE1 3.42Å
783	R	50.1	Low	52.7	Low	90 Å²	90	21.5 Å²	21.5	34%	0.34	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	5	-178.5	-60	-173.5	-173.2	150.4	13.9	116.9	E663 Y779 S781 H874	E663-R783 IonicContact OE1-NH1 3.89Å; E663-R783 IonicContact OE2-NH1 2.96Å; Y779-R783 VanDerWaalsContact CD1-O 3.26Å; Y779-R783 WeakPolarHBondContact CD1-O 3.32Å; S781-R783 VanDerWaalsContact C-N 3.3Å; S781-R783 PolarHBondContact O-N 3.09Å; R783-H874 PolarHBondContact NH2-CE1 2.94Å
784	Q	47.1	Very low	52.8	Low	73 Å²	73	21.6 Å²	21.6	34%	0.341	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-23.2	-176.7	-48.2	-169.1	-24.5	0	0	113.6	R263 M267 S781 D782	R263-Q784 VanDerWaalsContact NH1-OE1 3.08Å; R263-Q784 VanDerWaalsContact NH2-CB 3.3Å; M267-Q784 HydrophobicContact CE-CB 3.24Å; M267-Q784 HydrophobicContact CE-CG 4.31Å; M267-Q784 WeakPolarHBondContact CE-O 3.33Å; S781-Q784 PolarHBondContact O-N 3.44Å; S781-Q784 VanDerWaalsContact O-N 3.1Å; D782-Q784 WeakPolarHBondContact O-CG 3.33Å; D782-Q784 PolarHBondContact O-N 3.49Å
785	L	50.2	Low	52.7	Low	6 Å²	6	21.7 Å²	21.7	3%	0.031	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115	174.1	-66.7	176.8	0	0	0	110.4	R263 L266 M267 Y779 H780	R263-L785 HydrophobicContact CG-CD1 3.94Å; R263-L785 HydrophobicContact CG-CD2 3.8Å; R263-L785 HydrophobicContact CG-CG 3.86Å; R263-L785 WeakPolarHBondContact O-CD2 3.25Å; L266-L785 HydrophobicContact CB-CD2 4.03Å; M267-L785 HydrophobicContact CG-CD2 3.88Å; Y779-L785 VanDerWaalsContact CA-O 3.26Å; Y779-L785 WeakPolarHBondContact CA-O 2.92Å; H780-L785 PolarHBondContact N-O 3.08Å; H780-L785 WeakPolarHBondContact O-CB 3.44Å; H780-L785 PolarHBondContact O-N 3.23Å
786	M	53.6	Low	52.8	Low	36 Å²	36	21.3 Å²	21.3	18%	0.177	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.8	165.9	-173.5	-170.1	-74.1	0	0	108.8	H297 A597 Y779 Q788 V791	H297-M786 PolarHBondContact NE2-O 3.25Å; A597-M786 HydrophobicContact CB-CE 4.12Å; A597-M786 HydrophobicContact CB-SD 4.23Å; Y779-M786 HydrophobicContact CD1-CB 4.12Å; Y779-M786 HydrophobicContact CE1-CB 3.79Å; Y779-M786 HydrophobicContact CE1-CE 4.08Å; Y779-M786 HydrophobicContact CE1-CG 4.18Å; Y779-M786 WeakPolarHBondContact OH-CE 3.35Å; M786-Q788 PolarHBondContact O-N 3.48Å; M786-V791 HydrophobicContact CG-CG2 3.61Å; M786-V791 HydrophobicContact SD-CG2 3.87Å
787	S	55.1	Low	53	Low	4 Å²	4	21.3 Å²	21.3	3%	0.028	10%	0.103	C	C	.	.			trans	-80.9	112.2	165.9	178.3	0	0	0	0	108.4	H297 P778 V789 A790 V791	H297-S787 PolarHBondContact O-OG 3.36Å; P778-S787 PolarHBondContact O-N 3.31Å; S787-V789 PolarHBondContact O-N 3.48Å; S787-A790 PolarHBondContact O-N 3.49Å; S787-V791 WeakPolarHBondContact O-CG2 3.38Å; S787-V791 PolarHBondContact O-N 3.25Å; S787-V791 VanDerWaalsContact O-N 3.07Å
788	Q	57.5	Low	53.3	Low	30 Å²	30	20.8 Å²	20.8	14%	0.14	10%	0.1	C	C	.	.	H	α-helix	trans	-61.3	-34.7	-179.2	-73.1	178.5	-2.2	0	0	112	N269 V523 L563 M786 V791 A792	N269-Q788 PolarHBondContact ND2-NE2 2.99Å; V523-Q788 HydrophobicContact CB-CB 4.41Å; V523-Q788 HydrophobicContact CG1-CB 3.62Å; V523-Q788 HydrophobicContact CG1-CG 4.49Å; V523-Q788 PolarHBondContact O-OE1 2.95Å; L563-Q788 HydrophobicContact CD2-CB 3.89Å; L563-Q788 HydrophobicContact CD2-CG 3.98Å; M786-Q788 PolarHBondContact O-N 3.48Å; Q788-V791 PolarHBondContact O-N 3.1Å; Q788-A792 WeakPolarHBondContact O-CB 3.16Å; Q788-A792 PolarHBondContact O-N 3.4Å
789	V	54.8	Low	53.3	Low	23 Å²	23	20.7 Å²	20.7	14%	0.139	10%	0.099	C	C	.	.	H	α-helix	trans	-68.2	-41.2	177.3	179.1	0	0	0	0	112.1	A486 S787 A792 G793 A821	A486-V789 HydrophobicContact CB-CG1 3.73Å; S787-V789 PolarHBondContact O-N 3.48Å; V789-A792 WeakPolarHBondContact O-CB 3.46Å; V789-A792 PolarHBondContact O-N 3Å; V789-G793 PolarHBondContact O-N 3.29Å; V789-A821 HydrophobicContact CG1-CB 4.2Å
790	A	55.7	Low	53.4	Low	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-69.8	-37.5	177.1	0	0	0	0	0	112.1	P778 S787 G793 L794 A822	P778-A790 HydrophobicContact CB-CB 4.2Å; S787-A790 PolarHBondContact O-N 3.49Å; A790-G793 PolarHBondContact O-N 3.21Å; A790-L794 PolarHBondContact O-N 3.07Å; A790-A822 HydrophobicContact CB-CB 4.12Å; A790-A822 WeakPolarHBondContact O-CB 3.49Å
791	V	57.7	Low	53.6	Low	3 Å²	3	18 Å²	18	2%	0.018	9%	0.088	C	C	.	.	H	α-helix	trans	-63.7	-42.4	171.8	173.2	0	0	0	0	110.7	L563 P778 M786 S787 Q788 L794 L795	L563-V791 HydrophobicContact CD1-CG1 4.19Å; L563-V791 HydrophobicContact CD2-CB 4.2Å; L563-V791 HydrophobicContact CD2-CG1 4.04Å; P778-V791 HydrophobicContact CB-CG2 3.51Å; P778-V791 HydrophobicContact CG-CG2 4.34Å; M786-V791 HydrophobicContact CG-CG2 3.61Å; M786-V791 HydrophobicContact SD-CG2 3.87Å; S787-V791 WeakPolarHBondContact O-CG2 3.38Å; S787-V791 PolarHBondContact O-N 3.25Å; S787-V791 VanDerWaalsContact O-N 3.07Å; Q788-V791 PolarHBondContact O-N 3.1Å; V791-L794 PolarHBondContact O-N 3.07Å; V791-L795 HydrophobicContact CG1-CD1 3.55Å; V791-L795 HydrophobicContact CG1-CG 4.11Å; V791-L795 VanDerWaalsContact O-CB 3.32Å; V791-L795 WeakPolarHBondContact O-CB 3.33Å; V791-L795 VanDerWaalsContact O-CG 3.24Å; V791-L795 WeakPolarHBondContact O-CG 3.21Å; V791-L795 PolarHBondContact O-N 3.49Å
792	A	54.3	Low	54.1	Low	1 Å²	1	18.9 Å²	18.9	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-59.1	-49	174.8	0	0	0	0	0	111.7	M520 V523 L560 Q788 V789 L794 L795 T796	M520-A792 HydrophobicContact CG-CB 4.47Å; V523-A792 HydrophobicContact CG2-CB 3.81Å; L560-A792 HydrophobicContact CD1-CB 4.09Å; L560-A792 HydrophobicContact CD2-CB 3.68Å; L560-A792 HydrophobicContact CG-CB 4.42Å; Q788-A792 WeakPolarHBondContact O-CB 3.16Å; Q788-A792 PolarHBondContact O-N 3.4Å; V789-A792 WeakPolarHBondContact O-CB 3.46Å; V789-A792 PolarHBondContact O-N 3Å; A792-L794 PolarHBondContact O-N 2.76Å; A792-L795 PolarHBondContact O-N 3.09Å; A792-T796 WeakPolarHBondContact O-CG2 3.43Å; A792-T796 PolarHBondContact O-N 2.81Å
793	G	53.4	Low	54.5	Low	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-56.4	-46.3	175.6	0	0	0	0	0	113.2	V789 A790 T796 V797 G818	V789-G793 PolarHBondContact O-N 3.29Å; A790-G793 PolarHBondContact O-N 3.21Å; G793-T796 PolarHBondContact O-OG1 3.27Å; G793-V797 WeakPolarHBondContact O-CG2 3.48Å; G793-G818 VanDerWaalsContact CA-O 3.26Å; G793-G818 WeakPolarHBondContact CA-O 3.14Å
794	L	58	Low	54.8	Low	3 Å²	3	11.6 Å²	11.6	2%	0.016	6%	0.059	C	C	.	.	H	α-helix	trans	-66.6	-40.6	175.4	-73.3	-170.6	0	0	0	113.2	L694 A697 L776 P778 A790 V791 A792 V797 L798 L819 A822	L694-L794 HydrophobicContact CD1-CD1 4.25Å; A697-L794 HydrophobicContact CB-CD1 4.22Å; L776-L794 HydrophobicContact CB-CD2 4.45Å; P778-L794 HydrophobicContact CG-CD1 3.22Å; P778-L794 HydrophobicContact CG-CG 4.24Å; A790-L794 PolarHBondContact O-N 3.07Å; V791-L794 PolarHBondContact O-N 3.07Å; A792-L794 PolarHBondContact O-N 2.76Å; L794-V797 PolarHBondContact O-N 2.93Å; L794-L798 HydrophobicContact CB-CD1 4.28Å; L794-L798 WeakPolarHBondContact O-CB 3.44Å; L794-L798 WeakPolarHBondContact O-CD1 3.44Å; L794-L798 WeakPolarHBondContact O-CG 3.33Å; L794-L798 PolarHBondContact O-N 3.3Å; L794-L819 HydrophobicContact CD2-CD1 3.5Å; L794-A822 HydrophobicContact CD2-CB 4.18Å; L794-A822 HydrophobicContact CG-CB 4.05Å
795	L	55.3	Low	55	Low	4 Å²	4	13 Å²	13	2%	0.021	6%	0.064	C	C	.	.	H	α-helix	trans	-68	-37.8	-179.1	-75.5	171	0	0	0	112.4	L556 L560 L657 L694 V791 A792 V797 L798 V799	L556-L795 HydrophobicContact CD1-CB 4.31Å; L560-L795 HydrophobicContact CD2-CD1 3.97Å; L657-L795 HydrophobicContact CD1-CD1 3.7Å; L657-L795 HydrophobicContact CD1-CD2 3.53Å; L657-L795 HydrophobicContact CD1-CG 4.13Å; L694-L795 HydrophobicContact CD2-CD2 4.47Å; V791-L795 HydrophobicContact CG1-CD1 3.55Å; V791-L795 HydrophobicContact CG1-CG 4.11Å; V791-L795 VanDerWaalsContact O-CB 3.32Å; V791-L795 WeakPolarHBondContact O-CB 3.33Å; V791-L795 VanDerWaalsContact O-CG 3.24Å; V791-L795 WeakPolarHBondContact O-CG 3.21Å; V791-L795 PolarHBondContact O-N 3.49Å; A792-L795 PolarHBondContact O-N 3.09Å; L795-V797 PolarHBondContact O-N 2.96Å; L795-L798 PolarHBondContact O-N 2.95Å; L795-V799 WeakPolarHBondContact O-CB 3.34Å; L795-V799 VanDerWaalsContact O-CG2 3.31Å; L795-V799 WeakPolarHBondContact O-CG2 3.45Å; L795-V799 PolarHBondContact O-N 3.33Å
796	T	58.1	Low	55.3	Low	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.3	-41.2	174.5	68.6	0	0	0	0	111.5	L516 M520 L560 A792 G793 S800	L516-T796 HydrophobicContact CD1-CG2 3.48Å; L516-T796 VanDerWaalsContact CD1-CG2 3.48Å; L516-T796 HydrophobicContact CD2-CG2 3.94Å; L516-T796 HydrophobicContact CG-CG2 3.85Å; M520-T796 HydrophobicContact CE-CG2 4.5Å; M520-T796 HydrophobicContact CG-CG2 4.26Å; M520-T796 HydrophobicContact SD-CG2 3.77Å; L560-T796 HydrophobicContact CD1-CG2 4.35Å; A792-T796 WeakPolarHBondContact O-CG2 3.43Å; A792-T796 PolarHBondContact O-N 2.81Å; G793-T796 PolarHBondContact O-OG1 3.27Å; T796-S800 VanDerWaalsContact O-CB 3.32Å; T796-S800 WeakPolarHBondContact O-CB 3.21Å; T796-S800 PolarHBondContact O-N 3.38Å; T796-S800 PolarHBondContact O-OG 3.39Å
797	V	59.8	Low	55.3	Low	1 Å²	1	15.8 Å²	15.8	1%	0.006	8%	0.08	C	C	.	.	H	α-helix	trans	-74.8	-50	179.4	177	0	0	0	0	110.2	F725 G793 L794 L795 V799 S800 F801 I815 L816 L819	F725-V797 HydrophobicContact CE1-CG1 4.15Å; F725-V797 HydrophobicContact CZ-CG1 3.86Å; G793-V797 WeakPolarHBondContact O-CG2 3.48Å; L794-V797 PolarHBondContact O-N 2.93Å; L795-V797 PolarHBondContact O-N 2.96Å; V797-V799 PolarHBondContact O-N 3.2Å; V797-S800 CarbonylContact O-C 3.57Å; V797-S800 WeakPolarHBondContact O-CA 3.45Å; V797-S800 WeakPolarHBondContact O-CB 3.25Å; V797-S800 PolarHBondContact O-N 3.17Å; V797-S800 VanDerWaalsContact O-N 3.08Å; V797-F801 HydrophobicContact CG1-CD2 3.78Å; V797-F801 HydrophobicContact CG1-CE2 3.47Å; V797-F801 VanDerWaalsContact CG1-CE2 3.47Å; V797-F801 WeakPolarHBondContact O-CD2 3.4Å; V797-F801 PolarHBondContact O-N 3.38Å; V797-I815 WeakPolarHBondContact CG2-O 3.48Å; V797-L816 HydrophobicContact CG1-CD2 4.22Å; V797-L819 HydrophobicContact CG2-CB 4.32Å
798	L	54.9	Low	55.4	Low	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.7	-42.2	-177.3	-75.8	164.5	0	0	0	113.9	L690 L694 M729 L794 L795 S800 F801	L690-L798 HydrophobicContact CB-CD2 3.91Å; L690-L798 HydrophobicContact CD2-CD2 4.29Å; L694-L798 HydrophobicContact CB-CD1 3.83Å; L694-L798 HydrophobicContact CD1-CD1 3.54Å; L694-L798 HydrophobicContact CD2-CD1 4.03Å; L694-L798 HydrophobicContact CG-CD1 3.97Å; M729-L798 HydrophobicContact CE-CD2 3.44Å; M729-L798 VanDerWaalsContact CE-CD2 3.44Å; M729-L798 HydrophobicContact CE-CG 4.19Å; L794-L798 HydrophobicContact CB-CD1 4.28Å; L794-L798 WeakPolarHBondContact O-CB 3.44Å; L794-L798 WeakPolarHBondContact O-CD1 3.44Å; L794-L798 WeakPolarHBondContact O-CG 3.33Å; L794-L798 PolarHBondContact O-N 3.3Å; L795-L798 PolarHBondContact O-N 2.95Å; L798-S800 PolarHBondContact O-N 3.41Å; L798-F801 PolarHBondContact O-N 3.44Å; L798-F801 VanDerWaalsContact O-N 3.13Å
799	V	53.5	Low	55.1	Low	2 Å²	2	15 Å²	15	1%	0.012	8%	0.076	C	C	.	.	H	α-helix	trans	-68	-28.7	175.9	174.2	0	0	0	0	110.7	L556 L795 V797 F801 L802	L556-V799 HydrophobicContact CD1-CG2 4.13Å; L556-V799 HydrophobicContact CD2-CB 3.92Å; L556-V799 HydrophobicContact CD2-CG1 4.12Å; L556-V799 HydrophobicContact CD2-CG2 4.09Å; L795-V799 WeakPolarHBondContact O-CB 3.34Å; L795-V799 VanDerWaalsContact O-CG2 3.31Å; L795-V799 WeakPolarHBondContact O-CG2 3.45Å; L795-V799 PolarHBondContact O-N 3.33Å; V797-V799 PolarHBondContact O-N 3.2Å; V799-F801 VanDerWaalsContact C-N 3.33Å; V799-L802 HydrophobicContact CB-CD1 4.34Å; V799-L802 HydrophobicContact CG1-CD1 4.1Å; V799-L802 WeakPolarHBondContact O-CB 3.4Å; V799-L802 PolarHBondContact O-N 3.23Å
800	S	53.5	Low	55.2	Low	1 Å²	1	15.5 Å²	15.5	1%	0.007	9%	0.086	C	C	.	.	H	α-helix	trans	-73.8	-22.9	173.3	-61.2	0	0	0	0	113.1	W553 T796 V797 L798 L802 I815	W553-S800 PolarHBondContact NE1-OG 3.49Å; T796-S800 VanDerWaalsContact O-CB 3.32Å; T796-S800 WeakPolarHBondContact O-CB 3.21Å; T796-S800 PolarHBondContact O-N 3.38Å; T796-S800 PolarHBondContact O-OG 3.39Å; V797-S800 CarbonylContact O-C 3.57Å; V797-S800 WeakPolarHBondContact O-CA 3.45Å; V797-S800 WeakPolarHBondContact O-CB 3.25Å; V797-S800 PolarHBondContact O-N 3.17Å; V797-S800 VanDerWaalsContact O-N 3.08Å; L798-S800 PolarHBondContact O-N 3.41Å; S800-L802 VanDerWaalsContact C-N 3.32Å; S800-I815 WeakPolarHBondContact OG-CG2 3.43Å
801	F	53.5	Low	54.9	Low	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-78.9	-7.4	171.9	-83.7	-81.3	0	0	0	114.2	L690 N722 F725 M759 V797 L798 V799 D803 V804 I808 L816	L690-F801 HydrophobicContact CD1-CB 3.55Å; L690-F801 HydrophobicContact CD2-CB 3.67Å; L690-F801 HydrophobicContact CD2-CG 4.1Å; L690-F801 HydrophobicContact CG-CB 4.27Å; N722-F801 PolarHBondContact ND2-O 3.21Å; N722-F801 PolarHBondContact OD1-O 3.05Å; F725-F801 HydrophobicContact CB-CD1 4.43Å; F725-F801 HydrophobicContact CB-CE1 3.89Å; F725-F801 HydrophobicContact CB-CZ 4.24Å; F725-F801 AromaticContact CD1-CD1 3.98Å; F725-F801 HydrophobicContact CD1-CD1 3.98Å; F725-F801 AromaticContact CD1-CD2 3.72Å; F725-F801 HydrophobicContact CD1-CD2 3.72Å; F725-F801 AromaticContact CD1-CE1 3.67Å; F725-F801 HydrophobicContact CD1-CE1 3.67Å; F725-F801 AromaticContact CD1-CE2 3.46Å; F725-F801 HydrophobicContact CD1-CE2 3.46Å; F725-F801 VanDerWaalsContact CD1-CE2 3.46Å; F725-F801 HydrophobicContact CD1-CG 4.03Å; F725-F801 AromaticContact CD1-CZ 3.42Å; F725-F801 HydrophobicContact CD1-CZ 3.42Å; F725-F801 VanDerWaalsContact CD1-CZ 3.42Å; F725-F801 AromaticContact CD2-CE1 3.78Å; F725-F801 HydrophobicContact CD2-CE1 3.78Å; F725-F801 AromaticContact CD2-CE2 3.94Å; F725-F801 HydrophobicContact CD2-CE2 3.94Å; F725-F801 AromaticContact CD2-CZ 3.26Å; F725-F801 HydrophobicContact CD2-CZ 3.26Å; F725-F801 HydrophobicContact CE1-CD1 4.49Å; F725-F801 AromaticContact CE1-CD2 3.43Å; F725-F801 HydrophobicContact CE1-CD2 3.43Å; F725-F801 VanDerWaalsContact CE1-CD2 3.43Å; F725-F801 HydrophobicContact CE1-CE1 4.14Å; F725-F801 AromaticContact CE1-CE2 3.02Å; F725-F801 HydrophobicContact CE1-CE2 3.02Å; F725-F801 HydrophobicContact CE1-CG 4.2Å; F725-F801 AromaticContact CE1-CZ 3.43Å; F725-F801 HydrophobicContact CE1-CZ 3.43Å; F725-F801 VanDerWaalsContact CE1-CZ 3.43Å; F725-F801 HydrophobicContact CE2-CE1 4.24Å; F725-F801 AromaticContact CE2-CE2 3.57Å; F725-F801 HydrophobicContact CE2-CE2 3.57Å; F725-F801 AromaticContact CE2-CZ 3.28Å; F725-F801 HydrophobicContact CE2-CZ 3.28Å; F725-F801 HydrophobicContact CG-CD1 4.15Å; F725-F801 HydrophobicContact CG-CD2 4.46Å; F725-F801 AromaticContact CG-CE1 3.47Å; F725-F801 HydrophobicContact CG-CE1 3.47Å; F725-F801 VanDerWaalsContact CG-CE1 3.47Å; F725-F801 AromaticContact CG-CE2 3.89Å; F725-F801 HydrophobicContact CG-CE2 3.89Å; F725-F801 AromaticContact CG-CZ 3.34Å; F725-F801 HydrophobicContact CG-CZ 3.34Å; F725-F801 AromaticContact CZ-CD2 3.99Å; F725-F801 HydrophobicContact CZ-CD2 3.99Å; F725-F801 HydrophobicContact CZ-CE1 4.42Å; F725-F801 AromaticContact CZ-CE2 3.11Å; F725-F801 HydrophobicContact CZ-CE2 3.11Å; F725-F801 AromaticContact CZ-CZ 3.38Å; F725-F801 HydrophobicContact CZ-CZ 3.38Å; M759-F801 HydrophobicContact CE-CE1 3.77Å; M759-F801 HydrophobicContact SD-CE1 3.99Å; M759-F801 HydrophobicContact SD-CZ 4.49Å; V797-F801 HydrophobicContact CG1-CD2 3.78Å; V797-F801 HydrophobicContact CG1-CE2 3.47Å; V797-F801 VanDerWaalsContact CG1-CE2 3.47Å; V797-F801 WeakPolarHBondContact O-CD2 3.4Å; V797-F801 PolarHBondContact O-N 3.38Å; L798-F801 PolarHBondContact O-N 3.44Å; L798-F801 VanDerWaalsContact O-N 3.13Å; V799-F801 VanDerWaalsContact C-N 3.33Å; F801-D803 PolarHBondContact O-N 2.66Å; F801-V804 HydrophobicContact CD1-CG2 4.32Å; F801-V804 VanDerWaalsContact O-CG2 3.3Å; F801-V804 WeakPolarHBondContact O-CG2 3.25Å; F801-I808 HydrophobicContact CB-CD1 4.15Å; F801-I808 HydrophobicContact CD1-CD1 3.2Å; F801-I808 HydrophobicContact CD2-CD1 3.54Å; F801-I808 HydrophobicContact CE1-CD1 3.23Å; F801-I808 HydrophobicContact CE1-CG2 4.36Å; F801-I808 HydrophobicContact CE2-CD1 3.51Å; F801-I808 HydrophobicContact CG-CD1 3.34Å; F801-I808 HydrophobicContact CZ-CD1 3.37Å; F801-I808 HydrophobicContact CZ-CG2 4.41Å; F801-L816 HydrophobicContact CE2-CD2 3.73Å; F801-L816 HydrophobicContact CZ-CD2 3.78Å
802	L	54.6	Low	54.6	Low	34 Å²	34	21.1 Å²	21.1	18%	0.178	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-66.9	-17.8	171.1	-70.3	158.3	0	0	0	112.7	V650 L653 A687 V799 S800	V650-L802 HydrophobicContact CG2-CD1 3.86Å; L653-L802 HydrophobicContact CD1-CD1 3.82Å; L653-L802 HydrophobicContact CD1-CD2 4.02Å; L653-L802 HydrophobicContact CD1-CG 4.03Å; A687-L802 HydrophobicContact CB-CD2 4.27Å; V799-L802 HydrophobicContact CB-CD1 4.34Å; V799-L802 HydrophobicContact CG1-CD1 4.1Å; V799-L802 WeakPolarHBondContact O-CB 3.4Å; V799-L802 PolarHBondContact O-N 3.23Å; S800-L802 VanDerWaalsContact C-N 3.32Å
803	D	54.6	Low	54.7	Low	22 Å²	22	21.8 Å²	21.8	12%	0.118	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-137.6	77.6	169.7	-174.6	1.4	0	0	0	111.4	T549 F801 K805 N806 I807	T549-D803 HydrophobicContact CG2-CB 3.97Å; T549-D803 WeakPolarHBondContact CG2-OD2 3.41Å; F801-D803 PolarHBondContact O-N 2.66Å; D803-K805 PolarHBondContact O-N 2.91Å; D803-K805 PolarHBondContact OD1-N 3.43Å; D803-N806 PolarHBondContact OD1-N 3.26Å; D803-N806 WeakPolarHBondContact OD2-CB 3.43Å; D803-N806 PolarHBondContact OD2-ND2 3.15Å; D803-I807 HydrophobicContact CB-CD1 4.27Å; D803-I807 HydrophobicContact CB-CG1 4.42Å; D803-I807 PolarHBondContact O-N 2.93Å
804	V	54.8	Low	54.8	Low	1 Å²	1	22.3 Å²	22.3	1%	0.006	12%	0.116	C	C	.	.	I	π-helix	trans	-60.1	-32.7	-177.2	-164.3	0	0	0	0	112.5	H721 N722 M759 F801 I808 L809	H721-V804 HydrophobicContact CB-CG1 4.05Å; N722-V804 WeakPolarHBondContact OD1-CG2 3.49Å; M759-V804 HydrophobicContact CE-CG1 3.8Å; F801-V804 HydrophobicContact CD1-CG2 4.32Å; F801-V804 VanDerWaalsContact O-CG2 3.3Å; F801-V804 WeakPolarHBondContact O-CG2 3.25Å; V804-I808 HydrophobicContact CG1-CB 4.44Å; V804-I808 PolarHBondContact O-N 3.36Å; V804-L809 HydrophobicContact CG1-CD1 3.77Å; V804-L809 HydrophobicContact CG1-CG 4.25Å; V804-L809 WeakPolarHBondContact O-CB 3.3Å; V804-L809 PolarHBondContact O-N 2.94Å
805	K	52.8	Low	54.8	Low	102 Å²	102	22.4 Å²	22.4	44%	0.443	12%	0.116	S	C	.	.	I	π-helix	trans	-73.3	-40.4	-172.5	-77.9	-179.6	177.8	159.1	0	112.6	E718 D803	E718-K805 HydrophobicContact CG-CD 4.31Å; E718-K805 HydrophobicContact CG-CG 4.39Å; E718-K805 VanDerWaalsContact OE1-CD 3.28Å; E718-K805 WeakPolarHBondContact OE1-CD 3.37Å; E718-K805 WeakPolarHBondContact OE1-CE 3.45Å; E718-K805 IonicContact OE1-NZ 2.66Å; E718-K805 PolarHBondContact OE1-NZ 3.31Å; D803-K805 PolarHBondContact O-N 2.91Å; D803-K805 PolarHBondContact OD1-N 3.43Å
806	N	54.8	Low	54.9	Low	98 Å²	98	22.6 Å²	22.6	52%	0.524	12%	0.117	S	C	.	.	I	π-helix	trans	-92.8	-38.3	-176.3	-65.9	-40.4	0	0	0	113	D803 G810	D803-N806 PolarHBondContact OD1-N 3.26Å; D803-N806 WeakPolarHBondContact OD2-CB 3.43Å; D803-N806 PolarHBondContact OD2-ND2 3.15Å; N806-G810 WeakPolarHBondContact O-CA 2.95Å
807	I	55.3	Low	54.8	Low	3 Å²	3	22.6 Å²	22.6	2%	0.015	12%	0.117	C	C	.	.	I	π-helix	trans	-86.2	-53.1	-172.5	-55.5	178.7	0	0	0	110.9	T549 W553 D803 S812 I815	T549-I807 HydrophobicContact CG2-CD1 3.36Å; T549-I807 HydrophobicContact CG2-CG1 3.53Å; W553-I807 HydrophobicContact CZ2-CD1 4.45Å; W553-I807 HydrophobicContact CZ2-CG2 4.04Å; D803-I807 HydrophobicContact CB-CD1 4.27Å; D803-I807 HydrophobicContact CB-CG1 4.42Å; D803-I807 PolarHBondContact O-N 2.93Å; I807-S812 CarbonylContact O-C 3.58Å; I807-S812 WeakPolarHBondContact O-CA 3.33Å; I807-S812 PolarHBondContact O-N 3.22Å; I807-I815 HydrophobicContact CG2-CD1 3.57Å
808	I	56.2	Low	54.5	Low	4 Å²	4	22.6 Å²	22.6	2%	0.021	12%	0.117	C	C	.	.	I	π-helix	trans	-94.5	-41.3	-167.2	-56.9	178.4	0	0	0	111.9	M759 F801 V804 G810 H813	M759-I808 HydrophobicContact CE-CG2 4.41Å; F801-I808 HydrophobicContact CB-CD1 4.15Å; F801-I808 HydrophobicContact CD1-CD1 3.2Å; F801-I808 HydrophobicContact CD2-CD1 3.54Å; F801-I808 HydrophobicContact CE1-CD1 3.23Å; F801-I808 HydrophobicContact CE1-CG2 4.36Å; F801-I808 HydrophobicContact CE2-CD1 3.51Å; F801-I808 HydrophobicContact CG-CD1 3.34Å; F801-I808 HydrophobicContact CZ-CD1 3.37Å; F801-I808 HydrophobicContact CZ-CG2 4.41Å; V804-I808 HydrophobicContact CG1-CB 4.44Å; V804-I808 PolarHBondContact O-N 3.36Å; I808-G810 VanDerWaalsContact C-N 3.32Å; I808-H813 PolarHBondContact O-CD2 3.38Å; I808-H813 PolarHBondContact O-CE1 2.83Å; I808-H813 PolarHBondContact O-NE2 2.85Å
809	L	51	Low	54.6	Low	12 Å²	12	22.7 Å²	22.7	6%	0.063	12%	0.118	C	C	.	.	I	π-helix	trans	-85.4	-7.1	175.8	-72.5	158.7	0	0	0	113.1	N755 V804	N755-L809 HydrophobicContact CB-CD1 4.3Å; N755-L809 HydrophobicContact CB-CD2 3.67Å; V804-L809 HydrophobicContact CG1-CD1 3.77Å; V804-L809 HydrophobicContact CG1-CG 4.25Å; V804-L809 WeakPolarHBondContact O-CB 3.3Å; V804-L809 PolarHBondContact O-N 2.94Å
810	G	56.8	Low	54.6	Low	34 Å²	34	22.9 Å²	22.9	35%	0.351	12%	0.119	S	C	.	.	I	π-helix	trans	-99.8	-105.9	-176.3	0	0	0	0	0	112.9	N806 I808 H813	N806-G810 WeakPolarHBondContact O-CA 2.95Å; I808-G810 VanDerWaalsContact C-N 3.32Å; G810-H813 PolarHBondContact O-CE1 3.43Å
811	K	50.4	Low	54.6	Low	119 Å²	119	23.8 Å²	23.8	52%	0.517	13%	0.126	S	C	.	.	I	π-helix	trans	-107.8	-25.1	-170	-67.4	179.6	-178.9	176.1	0	114.1	H401 H813	H401-K811 PolarHBondContact CD2-O 3.39Å; K811-H813 PolarHBondContact O-N 3.22Å
812	S	51.6	Low	54.6	Low	2 Å²	2	23.8 Å²	23.8	1%	0.014	13%	0.126	C	C	.	.			trans	-109.7	53.3	-163.5	-55.8	0	0	0	0	113.7	Y550 I807 Y814 I815	Y550-S812 PolarHBondContact OH-OG 3.42Å; I807-S812 CarbonylContact O-C 3.58Å; I807-S812 WeakPolarHBondContact O-CA 3.33Å; I807-S812 PolarHBondContact O-N 3.22Å; S812-Y814 VanDerWaalsContact CA-CE1 3.49Å; S812-Y814 PolarHBondContact O-N 2.96Å; S812-Y814 PolarHBondContact OG-OH 3.42Å; S812-I815 PolarHBondContact O-N 3.4Å
813	H	56.8	Low	54.9	Low	15 Å²	15	22.3 Å²	22.3	7%	0.069	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-67.5	-16.6	176.9	-57.8	80.2	0	0	0	113.2	F372 F758 I808 G810 K811 I815 L816	F372-H813 HydrophobicContact CE2-CB 4.09Å; F372-H813 HydrophobicContact CZ-CB 3.82Å; F758-H813 AromaticContact CZ-CD2 3.99Å; I808-H813 PolarHBondContact O-CD2 3.38Å; I808-H813 PolarHBondContact O-CE1 2.83Å; I808-H813 PolarHBondContact O-NE2 2.85Å; G810-H813 PolarHBondContact O-CE1 3.43Å; K811-H813 PolarHBondContact O-N 3.22Å; H813-I815 PolarHBondContact O-N 3.17Å; H813-L816 PolarHBondContact O-N 3.15Å
814	Y	55.2	Low	55.1	Low	12 Å²	12	22.5 Å²	22.5	5%	0.047	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-67.3	-19	179.7	58.5	-95.1	0	0	0	113.7	I475 F479 V513 S812 L816 Y817	I475-Y814 HydrophobicContact CG2-CE1 4.46Å; I475-Y814 HydrophobicContact CG2-CE2 4.01Å; F479-Y814 HydrophobicContact CD1-CD2 4.19Å; F479-Y814 HydrophobicContact CE1-CD2 4.38Å; V513-Y814 HydrophobicContact CG2-CE2 4.2Å; S812-Y814 VanDerWaalsContact CA-CE1 3.49Å; S812-Y814 PolarHBondContact O-N 2.96Å; S812-Y814 PolarHBondContact OG-OH 3.42Å; Y814-L816 PolarHBondContact O-N 3.27Å; Y814-Y817 VanDerWaalsContact O-CB 3.27Å; Y814-Y817 WeakPolarHBondContact O-CB 3.44Å; Y814-Y817 WeakPolarHBondContact O-CD2 3.46Å; Y814-Y817 PolarHBondContact O-N 3.18Å
815	I	57.6	Low	55.3	Low	5 Å²	5	23.3 Å²	23.3	3%	0.026	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-68.9	-24.2	179.8	-60.7	162.2	0	0	0	111.5	W553 V797 S800 I807 S812 H813 Y817 G818	W553-I815 HydrophobicContact CH2-CD1 3.4Å; W553-I815 VanDerWaalsContact CH2-CD1 3.4Å; W553-I815 HydrophobicContact CH2-CG1 4.46Å; W553-I815 HydrophobicContact CZ2-CD1 3.18Å; W553-I815 HydrophobicContact CZ2-CG1 4.4Å; W553-I815 HydrophobicContact CZ3-CD1 4.47Å; V797-I815 WeakPolarHBondContact CG2-O 3.48Å; S800-I815 WeakPolarHBondContact OG-CG2 3.43Å; I807-I815 HydrophobicContact CG2-CD1 3.57Å; S812-I815 PolarHBondContact O-N 3.4Å; H813-I815 PolarHBondContact O-N 3.17Å; I815-Y817 PolarHBondContact O-N 2.88Å; I815-Y817 VanDerWaalsContact O-N 3.12Å; I815-G818 WeakPolarHBondContact O-CA 3.32Å; I815-G818 PolarHBondContact O-N 2.62Å
816	L	57.6	Low	55.6	Low	8 Å²	8	20 Å²	20	4%	0.042	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-60.9	-19.7	171.7	-64.5	174.1	0	0	0	112.1	F372 F725 L762 V797 F801 H813 Y814 G818 L819	F372-L816 HydrophobicContact CE1-CB 4.33Å; F372-L816 HydrophobicContact CE1-CD1 4.27Å; F372-L816 HydrophobicContact CZ-CD1 4.27Å; F725-L816 HydrophobicContact CE2-CD2 4.33Å; F725-L816 HydrophobicContact CZ-CD2 4.5Å; L762-L816 HydrophobicContact CD1-CD1 4.27Å; L762-L816 HydrophobicContact CD2-CD1 3.73Å; L762-L816 HydrophobicContact CD2-CD2 4.32Å; V797-L816 HydrophobicContact CG1-CD2 4.22Å; F801-L816 HydrophobicContact CE2-CD2 3.73Å; F801-L816 HydrophobicContact CZ-CD2 3.78Å; H813-L816 PolarHBondContact O-N 3.15Å; Y814-L816 PolarHBondContact O-N 3.27Å; L816-G818 VanDerWaalsContact C-N 3.31Å; L816-L819 WeakPolarHBondContact O-CB 3.45Å; L816-L819 PolarHBondContact O-N 2.95Å
817	Y	56.2	Low	56	Low	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-78.2	-11.8	171.9	-59.5	-53.3	0	0	0	113.8	F372 S405 A408 S409 M412 L442 I446 Y814 I815 L819 V820	F372-Y817 HydrophobicContact CD1-CE1 4.04Å; F372-Y817 AromaticContact CD1-CZ 3.93Å; F372-Y817 AromaticContact CE1-CE1 3.77Å; F372-Y817 HydrophobicContact CE1-CE1 3.77Å; F372-Y817 AromaticContact CE1-CE2 3.84Å; F372-Y817 HydrophobicContact CE1-CE2 3.84Å; F372-Y817 AromaticContact CE1-CZ 3.37Å; F372-Y817 VanDerWaalsContact CE1-OH 3.28Å; F372-Y817 WeakPolarHBondContact CE1-OH 3.34Å; F372-Y817 HydrophobicContact CZ-CE2 4.41Å; S405-Y817 PolarHBondContact O-OH 2.69Å; A408-Y817 HydrophobicContact CB-CD2 3.73Å; A408-Y817 HydrophobicContact CB-CE2 3.27Å; S409-Y817 PolarHBondContact N-OH 3Å; M412-Y817 HydrophobicContact CE-CD1 4.02Å; M412-Y817 HydrophobicContact CE-CE1 3.38Å; M412-Y817 HydrophobicContact CG-CD1 3.94Å; M412-Y817 HydrophobicContact CG-CE1 4.04Å; M412-Y817 HydrophobicContact SD-CD1 3.35Å; M412-Y817 WeakPolarHBondContact SD-CD1 3.4Å; M412-Y817 HydrophobicContact SD-CE1 3.4Å; M412-Y817 WeakPolarHBondContact SD-CE1 3.11Å; L442-Y817 HydrophobicContact CD2-CD2 3.99Å; I446-Y817 HydrophobicContact CD1-CD1 4.3Å; I446-Y817 HydrophobicContact CD1-CG 3.97Å; Y814-Y817 VanDerWaalsContact O-CB 3.27Å; Y814-Y817 WeakPolarHBondContact O-CB 3.44Å; Y814-Y817 WeakPolarHBondContact O-CD2 3.46Å; Y814-Y817 PolarHBondContact O-N 3.18Å; I815-Y817 PolarHBondContact O-N 2.88Å; I815-Y817 VanDerWaalsContact O-N 3.12Å; Y817-L819 PolarHBondContact O-N 3.43Å; Y817-L819 VanDerWaalsContact O-N 3.16Å; Y817-V820 VanDerWaalsContact O-CB 3.27Å; Y817-V820 WeakPolarHBondContact O-CB 3.44Å; Y817-V820 VanDerWaalsContact O-CG2 3.26Å; Y817-V820 WeakPolarHBondContact O-CG2 3.25Å; Y817-V820 PolarHBondContact O-N 3.2Å
818	G	52.9	Low	56.2	Low	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-60.3	-19.3	165.3	0	0	0	0	0	113	G793 I815 L816 V820 A821	G793-G818 VanDerWaalsContact CA-O 3.26Å; G793-G818 WeakPolarHBondContact CA-O 3.14Å; I815-G818 WeakPolarHBondContact O-CA 3.32Å; I815-G818 PolarHBondContact O-N 2.62Å; L816-G818 VanDerWaalsContact C-N 3.31Å; G818-V820 PolarHBondContact O-N 3.25Å; G818-A821 PolarHBondContact O-N 3.48Å
819	L	56.9	Low	56.5	Low	3 Å²	3	15.8 Å²	15.8	2%	0.016	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-64.4	-24.5	173.1	-161.1	62.9	0	0	0	113.1	F376 L766 L776 L794 V797 L816 Y817 A821 A822 M823	F376-L819 HydrophobicContact CE1-CD2 4.28Å; L766-L819 HydrophobicContact CD2-CD2 3.49Å; L766-L819 VanDerWaalsContact CD2-CD2 3.49Å; L776-L819 HydrophobicContact CD1-CD1 3.91Å; L776-L819 HydrophobicContact CD1-CD2 3.74Å; L776-L819 HydrophobicContact CD1-CG 4Å; L776-L819 HydrophobicContact CD2-CD1 3.84Å; L776-L819 HydrophobicContact CD2-CD2 4.08Å; L776-L819 HydrophobicContact CD2-CG 3.58Å; L776-L819 HydrophobicContact CG-CD1 4.42Å; L776-L819 HydrophobicContact CG-CG 4.43Å; L794-L819 HydrophobicContact CD2-CD1 3.5Å; V797-L819 HydrophobicContact CG2-CB 4.32Å; L816-L819 WeakPolarHBondContact O-CB 3.45Å; L816-L819 PolarHBondContact O-N 2.95Å; Y817-L819 PolarHBondContact O-N 3.43Å; Y817-L819 VanDerWaalsContact O-N 3.16Å; L819-A821 PolarHBondContact O-N 3.21Å; L819-A822 CarbonylContact O-C 3.56Å; L819-A822 WeakPolarHBondContact O-CA 3.44Å; L819-A822 WeakPolarHBondContact O-CB 3.28Å; L819-A822 PolarHBondContact O-N 3Å; L819-M823 WeakPolarHBondContact O-CG 3.48Å; L819-M823 PolarHBondContact O-N 3.49Å
820	V	54.3	Low	57	Low	6 Å²	6	15.3 Å²	15.3	4%	0.036	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-59.4	-37.5	178.9	174	0	0	0	0	111.2	M412 L415 I446 Y817 G818 A822 M823	M412-V820 HydrophobicContact CG-CG2 3.99Å; M412-V820 HydrophobicContact SD-CG2 4.09Å; L415-V820 HydrophobicContact CD1-CG1 3.43Å; L415-V820 VanDerWaalsContact CD1-CG1 3.43Å; L415-V820 HydrophobicContact CD2-CG1 4.43Å; I446-V820 HydrophobicContact CG2-CG1 4.06Å; I446-V820 HydrophobicContact CG2-CG2 4.1Å; Y817-V820 VanDerWaalsContact O-CB 3.27Å; Y817-V820 WeakPolarHBondContact O-CB 3.44Å; Y817-V820 VanDerWaalsContact O-CG2 3.26Å; Y817-V820 WeakPolarHBondContact O-CG2 3.25Å; Y817-V820 PolarHBondContact O-N 3.2Å; G818-V820 PolarHBondContact O-N 3.25Å; V820-A822 PolarHBondContact O-N 3.45Å; V820-A822 VanDerWaalsContact O-N 3.12Å; V820-M823 HydrophobicContact CG2-SD 4.26Å; V820-M823 WeakPolarHBondContact O-CB 3.3Å; V820-M823 PolarHBondContact O-N 2.88Å
821	A	52.4	Low	57.2	Low	19 Å²	19	13.8 Å²	13.8	16%	0.157	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-63.2	-17.7	176.2	0	0	0	0	0	113.1	L483 M520 V789 G818 L819	L483-A821 HydrophobicContact CD2-CB 4.16Å; M520-A821 HydrophobicContact CE-CB 3.94Å; V789-A821 HydrophobicContact CG1-CB 4.2Å; G818-A821 PolarHBondContact O-N 3.48Å; L819-A821 PolarHBondContact O-N 3.21Å
822	A	54.4	Low	57.7	Low	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-101.8	-1	175.1	0	0	0	0	0	113.5	L776 A790 L794 L819 V820 Q824	L776-A822 WeakPolarHBondContact CA-O 3.36Å; L776-A822 HydrophobicContact CD2-CB 4.34Å; A790-A822 HydrophobicContact CB-CB 4.12Å; A790-A822 WeakPolarHBondContact O-CB 3.49Å; L794-A822 HydrophobicContact CD2-CB 4.18Å; L794-A822 HydrophobicContact CG-CB 4.05Å; L819-A822 CarbonylContact O-C 3.56Å; L819-A822 WeakPolarHBondContact O-CA 3.44Å; L819-A822 WeakPolarHBondContact O-CB 3.28Å; L819-A822 PolarHBondContact O-N 3Å; V820-A822 PolarHBondContact O-N 3.45Å; V820-A822 VanDerWaalsContact O-N 3.12Å; A822-Q824 PolarHBondContact O-N 2.92Å
823	M	61.4	Low	58	Low	4 Å²	4	14.1 Å²	14.1	2%	0.02	7%	0.072	C	C	.	.			trans	-82.4	114.5	-179.1	-70.3	178.4	62.9	0	0	110.8	A379 L769 L774 T775 L776 L819 V820	A379-M823 HydrophobicContact CB-CE 3.71Å; L769-M823 HydrophobicContact CD1-CE 3.5Å; L769-M823 VanDerWaalsContact CD1-CE 3.5Å; L769-M823 HydrophobicContact CD1-SD 4.1Å; L769-M823 HydrophobicContact CD2-CE 3.93Å; L769-M823 HydrophobicContact CD2-CG 4.22Å; L769-M823 HydrophobicContact CD2-SD 4.44Å; L769-M823 HydrophobicContact CG-CE 3.77Å; L774-M823 HydrophobicContact CB-CE 4.44Å; L774-M823 HydrophobicContact CD1-CE 3.41Å; L774-M823 VanDerWaalsContact CD1-CE 3.41Å; T775-M823 WeakPolarHBondContact O-CA 3.29Å; L776-M823 HydrophobicContact CD2-CG 3.58Å; L819-M823 WeakPolarHBondContact O-CG 3.48Å; L819-M823 PolarHBondContact O-N 3.49Å; V820-M823 HydrophobicContact CG2-SD 4.26Å; V820-M823 WeakPolarHBondContact O-CB 3.3Å; V820-M823 PolarHBondContact O-N 2.88Å
824	Q	58.5	Low	57.9	Low	26 Å²	26	19.6 Å²	19.6	12%	0.121	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.8	175.7	-84.8	149.8	-44.2	0	0	112.1	R296 L774 T775 H780 A822	R296-Q824 PolarHBondContact O-NE2 3.33Å; L774-Q824 CarbonylContact C-O 3.46Å; L774-Q824 WeakPolarHBondContact CA-O 3.12Å; T775-Q824 PolarHBondContact N-O 3.28Å; T775-Q824 PolarHBondContact O-N 3.37Å; T775-Q824 PolarHBondContact OG1-O 3.45Å; H780-Q824 PolarHBondContact CE1-NE2 3.41Å; H780-Q824 VanDerWaalsContact CE1-NE2 3.25Å; H780-Q824 PolarHBondContact CE1-OE1 2.9Å; H780-Q824 PolarHBondContact NE2-OE1 3.49Å; A822-Q824 PolarHBondContact O-N 2.92Å
825	P	59.2	Low	58.1	Low	17 Å²	17	20.5 Å²	20.5	11%	0.11	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	131.2	176.9	30.1	-34.3	0	0	0	111.7	L322 F326 L774 M827	L322-P825 HydrophobicContact CD1-CG 4.21Å; L322-P825 HydrophobicContact CD2-CG 4.3Å; F326-P825 HydrophobicContact CD2-CB 3.94Å; F326-P825 HydrophobicContact CE2-CB 4.06Å; L774-P825 HydrophobicContact CD2-CB 4Å; P825-M827 HydrophobicContact CB-CE 4.3Å; P825-M827 HydrophobicContact CB-CG 4.21Å; P825-M827 HydrophobicContact CB-SD 4.39Å; P825-M827 HydrophobicContact CG-CE 3.93Å; P825-M827 HydrophobicContact CG-CG 4.5Å; P825-M827 PolarHBondContact O-N 3.29Å
826	R	57.8	Low	58.3	Low	33 Å²	33	28 Å²	28	13%	0.125	13%	0.131	C	C	.	.			trans	-81.6	43.9	176.6	-56.6	-179.3	81.6	120.2	24.4	112.6	T773 T775 L871 L872	T773-R826 PolarHBondContact O-N 3.21Å; T775-R826 HydrophobicContact CG2-CG 3.33Å; T775-R826 VanDerWaalsContact CG2-CZ 3.46Å; T775-R826 VanDerWaalsContact CG2-NH1 3.29Å; T775-R826 WeakPolarHBondContact OG1-CG 3.49Å; R826-L871 HydrophobicContact CB-CD2 4.24Å; R826-L871 WeakPolarHBondContact O-CA 3.32Å; R826-L871 VanDerWaalsContact O-CD2 3.32Å; R826-L871 WeakPolarHBondContact O-CD2 3.31Å; R826-L872 PolarHBondContact NE-O 3.17Å; R826-L872 PolarHBondContact NH2-O 3Å; R826-L872 PolarHBondContact O-N 2.99Å
827	M	63.9	Low	58.5	Low	5 Å²	5	31.7 Å²	31.7	3%	0.025	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	142.3	-175.2	61.6	-174.8	174.7	0	0	111.9	L322 F326 L329 P825 V829 G894 F895	L322-M827 HydrophobicContact CD1-CE 4.4Å; L322-M827 HydrophobicContact CD2-CE 4.48Å; L322-M827 HydrophobicContact CG-CE 3.93Å; F326-M827 HydrophobicContact CD2-SD 4.45Å; L329-M827 HydrophobicContact CD1-CB 3.34Å; L329-M827 HydrophobicContact CD1-CG 4.4Å; L329-M827 HydrophobicContact CD1-SD 4.21Å; P825-M827 HydrophobicContact CB-CE 4.3Å; P825-M827 HydrophobicContact CB-CG 4.21Å; P825-M827 HydrophobicContact CB-SD 4.39Å; P825-M827 HydrophobicContact CG-CE 3.93Å; P825-M827 HydrophobicContact CG-CG 4.5Å; P825-M827 PolarHBondContact O-N 3.29Å; M827-V829 HydrophobicContact CB-CG2 4.15Å; M827-V829 HydrophobicContact CG-CG2 4.12Å; M827-V829 HydrophobicContact SD-CG2 3.92Å; M827-G894 CarbonylContact O-C 3.38Å; M827-G894 WeakPolarHBondContact O-CA 3.46Å; M827-G894 PolarHBondContact O-N 2.66Å; M827-F895 HydrophobicContact CE-CE1 3.73Å; M827-F895 HydrophobicContact CE-CE2 3.79Å; M827-F895 HydrophobicContact CE-CZ 3.18Å; M827-F895 HydrophobicContact SD-CZ 4.47Å
828	L	59.3	Low	59	Low	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	107.1	157.8	-178.9	68	0	0	0	107.4	V842 T868 P869 V870 L872 A878 L892 G894 V896	L828-V842 HydrophobicContact CD2-CG1 3.94Å; L828-V842 HydrophobicContact CD2-CG2 4.22Å; L828-T868 HydrophobicContact CD2-CG2 4.12Å; L828-T868 HydrophobicContact CG-CG2 4.22Å; L828-P869 WeakPolarHBondContact O-CA 3.49Å; L828-V870 PolarHBondContact N-O 3.21Å; L828-V870 PolarHBondContact O-N 3.13Å; L828-V870 VanDerWaalsContact O-N 3.14Å; L828-L872 HydrophobicContact CB-CD1 3.97Å; L828-L872 HydrophobicContact CB-CG 4.17Å; L828-L872 HydrophobicContact CD2-CD1 4.43Å; L828-A878 HydrophobicContact CD2-CB 3.66Å; L828-L892 HydrophobicContact CD1-CB 4.04Å; L828-L892 HydrophobicContact CD2-CB 4.39Å; L828-G894 CarbonylContact C-O 3.54Å; L828-G894 WeakPolarHBondContact CA-O 3.05Å; L828-V896 HydrophobicContact CD1-CG2 3.88Å
829	V	61.2	Low	59.6	Low	10 Å²	10	38.2 Å²	38.2	6%	0.061	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.1	173.6	-175.9	0	0	0	0	107.8	L329 M827 F831 P869 G894 F895 V896	L329-V829 HydrophobicContact CD1-CG2 4.33Å; M827-V829 HydrophobicContact CB-CG2 4.15Å; M827-V829 HydrophobicContact CG-CG2 4.12Å; M827-V829 HydrophobicContact SD-CG2 3.92Å; V829-F831 HydrophobicContact CG1-CD1 4.38Å; V829-F831 HydrophobicContact CG1-CE1 3.84Å; V829-F831 HydrophobicContact CG1-CE2 4.5Å; V829-F831 HydrophobicContact CG1-CZ 3.9Å; V829-P869 HydrophobicContact CG2-CB 4.25Å; V829-G894 PolarHBondContact N-O 3.04Å; V829-F895 HydrophobicContact CB-CD1 3.91Å; V829-F895 HydrophobicContact CB-CE1 4.07Å; V829-F895 HydrophobicContact CG2-CE1 4.31Å; V829-F895 WeakPolarHBondContact O-CA 3.37Å; V829-V896 PolarHBondContact O-N 2.66Å
830	T	61.6	Low	60.1	Low	3 Å²	3	38.4 Å²	38.4	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.5	175.9	39	0	0	0	0	109.8	P837 L838 T868 V896 L898	T830-P837 WeakPolarHBondContact O-CA 3.26Å; T830-L838 PolarHBondContact O-N 2.63Å; T830-L838 PolarHBondContact OG1-O 3.38Å; T830-T868 HydrophobicContact CG2-CG2 4.06Å; T830-T868 WeakPolarHBondContact OG1-CB 3.46Å; T830-T868 PolarHBondContact OG1-OG1 3.23Å; T830-V896 CarbonylContact C-O 3.59Å; T830-V896 VanDerWaalsContact CA-O 3.32Å; T830-V896 WeakPolarHBondContact CA-O 3.27Å; T830-V896 HydrophobicContact CG2-CB 4.37Å; T830-L898 HydrophobicContact CG2-CD1 3.76Å; T830-L898 HydrophobicContact CG2-CG 4.1Å
831	F	62.5	Low	60.9	Low	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	149.5	176.7	-64	-60.8	0	0	0	111.2	F292 N325 V829 L835 R836 P837 F895 V896 I897 L898	F292-F831 HydrophobicContact CE1-CE2 4.39Å; F292-F831 HydrophobicContact CE2-CD2 4.49Å; F292-F831 HydrophobicContact CZ-CD2 4.42Å; F292-F831 HydrophobicContact CZ-CE2 4.04Å; N325-F831 WeakPolarHBondContact ND2-CZ 3.45Å; V829-F831 HydrophobicContact CG1-CD1 4.38Å; V829-F831 HydrophobicContact CG1-CE1 3.84Å; V829-F831 HydrophobicContact CG1-CE2 4.5Å; V829-F831 HydrophobicContact CG1-CZ 3.9Å; F831-L835 WeakPolarHBondContact CD1-O 3.47Å; F831-R836 WeakPolarHBondContact CA-O 3.48Å; F831-P837 HydrophobicContact CD1-CB 4.45Å; F831-P837 HydrophobicContact CE1-CB 4.38Å; F831-F895 HydrophobicContact CD2-CB 4.28Å; F831-F895 HydrophobicContact CD2-CD1 4.04Å; F831-F895 HydrophobicContact CE2-CB 3.93Å; F831-F895 AromaticContact CE2-CD1 3.05Å; F831-F895 HydrophobicContact CE2-CD1 3.05Å; F831-F895 AromaticContact CE2-CE1 3.58Å; F831-F895 HydrophobicContact CE2-CE1 3.58Å; F831-F895 AromaticContact CE2-CG 3.73Å; F831-F895 HydrophobicContact CE2-CG 3.73Å; F831-F895 AromaticContact CZ-CD1 3.51Å; F831-F895 HydrophobicContact CZ-CD1 3.51Å; F831-F895 AromaticContact CZ-CE1 3.54Å; F831-F895 HydrophobicContact CZ-CE1 3.54Å; F831-V896 PolarHBondContact N-O 2.91Å; F831-I897 HydrophobicContact CB-CG1 4.47Å; F831-I897 WeakPolarHBondContact O-CA 3.28Å; F831-L898 PolarHBondContact O-N 3.28Å
832	D	60.5	Low	61.7	Low	35 Å²	35	39.5 Å²	39.5	19%	0.187	20%	0.204	C	C	.	.			trans	-78.4	173.8	167	-155	-4.2	0	0	0	111	E834 L835 R836	D832-E834 PolarHBondContact O-N 3.43Å; D832-L835 PolarHBondContact O-N 3.37Å; D832-R836 PolarHBondContact N-O 3.5Å
833	E	57.4	Low	62.5	Low	94 Å²	94	43.5 Å²	43.5	44%	0.439	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.9	177.5	-66.6	177.1	-177.4	0	0	113.1	R899	E833-R899 HydrophobicContact CG-CG 4.29Å; E833-R899 WeakPolarHBondContact OE1-CG 3.49Å
834	E	56	Low	62.8	Low	129 Å²	129	43.7 Å²	43.7	60%	0.603	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	21.4	176.6	-60.7	-178.2	-178.2	0	0	114	D832 R836	D832-E834 PolarHBondContact O-N 3.43Å; E834-R836 PolarHBondContact O-N 3.18Å; E834-R836 VanDerWaalsContact O-N 3.11Å; E834-R836 IonicContact OE2-CZ 2.59Å; E834-R836 IonicContact OE2-NE 3.97Å; E834-R836 IonicContact OE2-NH2 3.32Å; E834-R836 PolarHBondContact OE2-NH2 3.31Å
835	L	57.7	Low	63.4	Low	32 Å²	32	42.7 Å²	42.7	17%	0.168	22%	0.217	C	C	.	.	S	Bend	trans	62.8	15.3	176.2	-62.4	163	0	0	0	115.8	K288 F292 I316 F831 D832	K288-L835 HydrophobicContact CD-CD1 4.22Å; F292-L835 HydrophobicContact CE2-CD2 3.72Å; F292-L835 HydrophobicContact CZ-CD2 3.98Å; I316-L835 HydrophobicContact CD1-CD1 3.9Å; I316-L835 HydrophobicContact CD1-CD2 4.15Å; F831-L835 WeakPolarHBondContact CD1-O 3.47Å; D832-L835 PolarHBondContact O-N 3.37Å
836	R	62.9	Low	63.7	Low	161 Å²	161	48.2 Å²	48.2	61%	0.608	24%	0.241	S	C	*	.			trans	-85.8	139.1	174.5	-57.8	-175.3	-150.9	-178.9	9.2	110.5	F831 D832 E834 L838	F831-R836 WeakPolarHBondContact CA-O 3.48Å; D832-R836 PolarHBondContact N-O 3.5Å; E834-R836 PolarHBondContact O-N 3.18Å; E834-R836 VanDerWaalsContact O-N 3.11Å; E834-R836 IonicContact OE2-CZ 2.59Å; E834-R836 IonicContact OE2-NE 3.97Å; E834-R836 IonicContact OE2-NH2 3.32Å; E834-R836 PolarHBondContact OE2-NH2 3.31Å; R836-L838 PolarHBondContact O-N 3.27Å
837	P	62.4	Low	63.9	Low	87 Å²	87	48.4 Å²	48.4	57%	0.565	25%	0.25	S	C	*	.	B	Isolated β-bridge	trans	-64.3	124.4	177.8	26	-33	0	0	0	109.8	T830 F831	T830-P837 WeakPolarHBondContact O-CA 3.26Å; F831-P837 HydrophobicContact CD1-CB 4.45Å; F831-P837 HydrophobicContact CE1-CB 4.38Å
838	L	66.7	Low	63.8	Low	38 Å²	38	50.5 Å²	50.5	20%	0.199	26%	0.263	C	S	.	.			trans	-113.7	118.5	179	-170.5	77	0	0	0	109.4	T830 R836 V840 T868 Y885	T830-L838 PolarHBondContact O-N 2.63Å; T830-L838 PolarHBondContact OG1-O 3.38Å; R836-L838 PolarHBondContact O-N 3.27Å; L838-V840 HydrophobicContact CB-CG2 4.43Å; L838-V840 HydrophobicContact CD2-CG2 3.52Å; L838-V840 HydrophobicContact CG-CG2 3.85Å; L838-V840 PolarHBondContact O-N 3.45Å; L838-V840 VanDerWaalsContact O-N 3.1Å; L838-T868 PolarHBondContact O-OG1 3.06Å; L838-Y885 HydrophobicContact CD2-CD1 4.16Å; L838-Y885 HydrophobicContact CD2-CE1 3.57Å; L838-Y885 HydrophobicContact CD2-CE2 4.07Å
839	P	65.3	Low	63.9	Low	99 Å²	99	56.2 Å²	56.2	64%	0.643	29%	0.293	S	S	*	.			trans	-75.9	100.3	176.1	29.9	-32.7	0	0	0	110
840	V	67.4	Low	63.7	Low	6 Å²	6	57.3 Å²	57.3	4%	0.036	30%	0.3	C	S	.	.			trans	-107.8	144.5	174.4	-176.4	0	0	0	0	110.6	L838 T868 L880 Y885 L898	L838-V840 HydrophobicContact CB-CG2 4.43Å; L838-V840 HydrophobicContact CD2-CG2 3.52Å; L838-V840 HydrophobicContact CG-CG2 3.85Å; L838-V840 PolarHBondContact O-N 3.45Å; L838-V840 VanDerWaalsContact O-N 3.1Å; V840-T868 PolarHBondContact N-OG1 2.84Å; V840-T868 PolarHBondContact O-N 3.09Å; V840-T868 PolarHBondContact O-OG1 3.07Å; V840-L880 HydrophobicContact CB-CD2 4.41Å; V840-L880 HydrophobicContact CG1-CD2 3.63Å; V840-Y885 HydrophobicContact CG1-CD2 4.47Å; V840-Y885 HydrophobicContact CG2-CD2 4.22Å; V840-Y885 HydrophobicContact CG2-CE2 4.41Å; V840-L898 HydrophobicContact CB-CD1 4.01Å; V840-L898 HydrophobicContact CG1-CD1 4.31Å; V840-L898 HydrophobicContact CG2-CD1 3.52Å
841	S	70.3	Confident	63.1	Low	49 Å²	49	60.7 Å²	60.7	34%	0.343	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	125.9	175.8	-67.2	0	0	0	0	110.9	H866 A881	S841-H866 CarbonylContact C-O 3.57Å; S841-H866 WeakPolarHBondContact CA-O 3.46Å; S841-A881 WeakPolarHBondContact O-CB 3.39Å; S841-A881 PolarHBondContact O-N 3.04Å
842	V	68.3	Low	62.5	Low	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.4	-178.9	176.7	0	0	0	0	109.3	L828 V844 T865 H866 T868 A878 E879 L880	L828-V842 HydrophobicContact CD2-CG1 3.94Å; L828-V842 HydrophobicContact CD2-CG2 4.22Å; V842-V844 HydrophobicContact CG1-CG2 4.14Å; V842-T865 WeakPolarHBondContact O-CA 3.36Å; V842-H866 PolarHBondContact N-O 2.65Å; V842-H866 PolarHBondContact O-N 3.5Å; V842-T868 HydrophobicContact CB-CG2 4.38Å; V842-T868 HydrophobicContact CG2-CG2 3.54Å; V842-A878 HydrophobicContact CG1-CB 3.4Å; V842-E879 CarbonylContact C-O 3.6Å; V842-E879 WeakPolarHBondContact CA-O 3.24Å; V842-E879 WeakPolarHBondContact CG1-O 3.36Å; V842-L880 HydrophobicContact CG2-CD2 4.25Å
843	R	72.3	Confident	62.2	Low	83 Å²	83	68 Å²	68	31%	0.313	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	117.6	169	-71.9	177.9	-176.5	162.3	5.6	108.8	F863 Q864 T865 A878 E879 A881	R843-F863 HydrophobicContact CB-CB 4.19Å; R843-F863 HydrophobicContact CG-CD2 4.16Å; R843-Q864 WeakPolarHBondContact CA-O 3.41Å; R843-T865 HydrophobicContact CG-CG2 3.7Å; R843-A878 CarbonylContact O-C 3.6Å; R843-A878 WeakPolarHBondContact O-CA 3.41Å; R843-E879 PolarHBondContact N-O 2.81Å; R843-E879 PolarHBondContact O-N 3.11Å; R843-A881 HydrophobicContact CG-CB 4.11Å
844	V	68.1	Low	61.6	Low	8 Å²	8	68.9 Å²	68.9	5%	0.048	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	133.6	175.3	-175.8	0	0	0	0	108.5	V842 F863 Q864 V870 L872 E876 R877 A878	V842-V844 HydrophobicContact CG1-CG2 4.14Å; V844-F863 CarbonylContact O-C 3.56Å; V844-F863 WeakPolarHBondContact O-CA 3.31Å; V844-Q864 PolarHBondContact N-O 3.01Å; V844-Q864 PolarHBondContact O-N 3.44Å; V844-V870 HydrophobicContact CG2-CG1 4.44Å; V844-L872 HydrophobicContact CG1-CD2 3.78Å; V844-L872 HydrophobicContact CG2-CD2 3.89Å; V844-E876 HydrophobicContact CG1-CB 3.81Å; V844-E876 HydrophobicContact CG1-CG 4.34Å; V844-R877 WeakPolarHBondContact CA-O 2.99Å; V844-A878 HydrophobicContact CG2-CB 4.41Å
845	G	70.1	Confident	61.7	Low	5 Å²	5	66 Å²	66	5%	0.052	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	-175.1	172.9	0	0	0	0	0	111.9	E876 R877	G845-E876 CarbonylContact O-C 3.53Å; G845-E876 WeakPolarHBondContact O-CA 3.31Å; G845-R877 PolarHBondContact N-O 3.27Å; G845-R877 PolarHBondContact O-N 3.34Å
846	Q	66.4	Low	61.5	Low	134 Å²	134	74.7 Å²	74.7	63%	0.626	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	132	-174.9	-169.2	172	-4.1	0	0	111.4	I860 T861	Q846-I860 WeakPolarHBondContact O-CA 3.46Å; Q846-T861 PolarHBondContact N-O 3.45Å; Q846-T861 PolarHBondContact O-N 3.34Å; Q846-T861 PolarHBondContact O-OG1 3.41Å
847	A	62.1	Low	61.2	Low	36 Å²	36	69.2 Å²	69.2	30%	0.298	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	136.6	177.4	0	0	0	0	0	111.2	G875 R877	A847-G875 PolarHBondContact N-O 3.02Å; A847-R877 HydrophobicContact CB-CB 4.09Å
848	V	61.5	Low	61	Low	50 Å²	50	71.4 Å²	71.4	30%	0.303	43%	0.427	S	S	.	.			trans	-126.1	135.9	172.9	177.6	0	0	0	0	109.3	V850 A859 T861	V848-V850 PolarHBondContact O-N 3.02Å; V848-A859 PolarHBondContact N-O 3.38Å; V848-T861 HydrophobicContact CB-CG2 4.45Å; V848-T861 HydrophobicContact CG2-CG2 3.4Å; V848-T861 WeakPolarHBondContact CG2-OG1 3.44Å
849	D	61.3	Low	60.7	Low	120 Å²	120	70.3 Å²	70.3	64%	0.642	42%	0.423	S	S	*	.			trans	-66.8	122.1	173.8	-166.2	-4.6	0	0	0	109.9	V851	D849-V851 WeakPolarHBondContact OD1-CB 2.96Å; D849-V851 WeakPolarHBondContact OD1-CG2 3.37Å; D849-V851 PolarHBondContact OD1-N 2.69Å; D849-V851 VanDerWaalsContact OD1-N 3.07Å
850	V	57.9	Low	60.8	Low	33 Å²	33	66.2 Å²	66.2	20%	0.2	40%	0.395	C	S	.	.			trans	-97.3	-1.4	-176.1	-68.2	0	0	0	0	112.4	V848 G852 Q853 P857 A859	V848-V850 PolarHBondContact O-N 3.02Å; V850-G852 PolarHBondContact O-N 2.82Å; V850-Q853 PolarHBondContact O-N 2.64Å; V850-P857 HydrophobicContact CB-CB 4Å; V850-P857 HydrophobicContact CB-CG 3.73Å; V850-P857 HydrophobicContact CG1-CB 3.88Å; V850-P857 HydrophobicContact CG1-CG 4.04Å; V850-A859 HydrophobicContact CG1-CB 4.14Å
851	V	47.5	Very low	60.6	Low	75 Å²	75	69.3 Å²	69.3	46%	0.455	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	125.6	-179.5	177.3	0	0	0	0	110.2	D849	D849-V851 WeakPolarHBondContact OD1-CB 2.96Å; D849-V851 WeakPolarHBondContact OD1-CG2 3.37Å; D849-V851 PolarHBondContact OD1-N 2.69Å; D849-V851 VanDerWaalsContact OD1-N 3.07Å
852	G	51.6	Low	60.1	Low	82 Å²	82	70.5 Å²	70.5	85%	0.845	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	0.9	176.4	0	0	0	0	0	116.5	V850	V850-G852 PolarHBondContact O-N 2.82Å
853	Q	53.9	Low	59.9	Low	107 Å²	107	76.2 Å²	76.2	50%	0.5	46%	0.459	S	S	.	.			trans	-84.2	130.3	175	-68.4	-173.3	12.1	0	0	112.1	V850 P857	V850-Q853 PolarHBondContact O-N 2.64Å; Q853-P857 HydrophobicContact CB-CB 3.84Å; Q853-P857 HydrophobicContact CB-CG 4.24Å; Q853-P857 VanDerWaalsContact OE1-CB 3.3Å
854	A	44.4	Very low	59.6	Low	112 Å²	112	78.2 Å²	78.2	93%	0.926	47%	0.472	S	S	*	.	S	Bend	trans	-75.4	125.2	174.9	0	0	0	0	0	111.3
855	G	58.1	Low	60	Low	70 Å²	70	82 Å²	82	72%	0.722	50%	0.496	S	S	*	.	S	Bend	trans	119.9	-153.6	175.4	0	0	0	0	0	113.7	P857	G855-P857 WeakPolarHBondContact O-CD 3.48Å
856	K	52.9	Low	60	Low	213 Å²	213	85.1 Å²	85.1	93%	0.926	51%	0.509	S	S	*	.	S	Bend	trans	-95.8	82.6	164.4	-73.6	-173.3	178.2	-175.4	0	108.3
857	P	56.3	Low	60.2	Low	46 Å²	46	83.2 Å²	83.2	30%	0.299	51%	0.506	S	S	.	.			trans	-66.8	136.3	-178.3	28.9	-36.3	0	0	0	110.3	V850 Q853 G855	V850-P857 HydrophobicContact CB-CB 4Å; V850-P857 HydrophobicContact CB-CG 3.73Å; V850-P857 HydrophobicContact CG1-CB 3.88Å; V850-P857 HydrophobicContact CG1-CG 4.04Å; Q853-P857 HydrophobicContact CB-CB 3.84Å; Q853-P857 HydrophobicContact CB-CG 4.24Å; Q853-P857 VanDerWaalsContact OE1-CB 3.3Å; G855-P857 WeakPolarHBondContact O-CD 3.48Å
858	K	59.4	Low	60.2	Low	134 Å²	134	81.7 Å²	81.7	58%	0.583	49%	0.493	S	S	*	.			trans	-76.2	130.2	172.5	-69.3	-175.4	178	-178.8	0	108.6	I860	K858-I860 PolarHBondContact O-N 3.24Å
859	A	60.6	Low	60	Low	14 Å²	14	81 Å²	81	12%	0.116	49%	0.49	C	S	.	.	S	Bend	trans	-79.6	0.6	-179.3	0	0	0	0	0	114.3	V848 V850 R877	V848-A859 PolarHBondContact N-O 3.38Å; V850-A859 HydrophobicContact CG1-CB 4.14Å; A859-R877 VanDerWaalsContact CB-CZ 3.44Å; A859-R877 VanDerWaalsContact CB-NH1 3.32Å
860	I	66.3	Low	60.1	Low	13 Å²	13	76 Å²	76	7%	0.067	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.5	-171.7	-57.8	176.6	0	0	0	110.7	Q846 K858 F863 R877 E879	Q846-I860 WeakPolarHBondContact O-CA 3.46Å; K858-I860 PolarHBondContact O-N 3.24Å; I860-F863 HydrophobicContact CG2-CB 4.3Å; I860-R877 HydrophobicContact CD1-CB 4.36Å; I860-R877 HydrophobicContact CD1-CG 4.27Å; I860-R877 VanDerWaalsContact CD1-O 3.24Å; I860-R877 WeakPolarHBondContact CD1-O 3.47Å; I860-R877 HydrophobicContact CG1-CB 4.02Å; I860-R877 HydrophobicContact CG1-CG 4.1Å; I860-E879 HydrophobicContact CD1-CB 3.41Å; I860-E879 VanDerWaalsContact CD1-CB 3.41Å
861	T	62.7	Low	60.2	Low	72 Å²	72	77 Å²	77	44%	0.442	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145.4	165.9	53.9	0	0	0	0	111.6	Q846 V848	Q846-T861 PolarHBondContact N-O 3.45Å; Q846-T861 PolarHBondContact O-N 3.34Å; Q846-T861 PolarHBondContact O-OG1 3.41Å; V848-T861 HydrophobicContact CB-CG2 4.45Å; V848-T861 HydrophobicContact CG2-CG2 3.4Å; V848-T861 WeakPolarHBondContact CG2-OG1 3.44Å
862	G	59.9	Low	60.9	Low	74 Å²	74	74.3 Å²	74.3	76%	0.763	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	64	57.7	177.8	0	0	0	0	0	114.1
863	F	64.1	Low	61.2	Low	119 Å²	119	72.3 Å²	72.3	52%	0.522	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	140.5	-173.3	63.4	-88.4	0	0	0	113.7	R843 V844 I860	R843-F863 HydrophobicContact CB-CB 4.19Å; R843-F863 HydrophobicContact CG-CD2 4.16Å; V844-F863 CarbonylContact O-C 3.56Å; V844-F863 WeakPolarHBondContact O-CA 3.31Å; I860-F863 HydrophobicContact CG2-CB 4.3Å
864	Q	67.6	Low	61.2	Low	126 Å²	126	70 Å²	70	59%	0.589	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.2	163.6	-171.3	167.9	-3.6	0	0	109	R843 V844 H866	R843-Q864 WeakPolarHBondContact CA-O 3.41Å; V844-Q864 PolarHBondContact N-O 3.01Å; V844-Q864 PolarHBondContact O-N 3.44Å; Q864-H866 WeakPolarHBondContact CG-NE2 3.41Å
865	T	75.3	Confident	61.7	Low	88 Å²	88	66.4 Å²	66.4	54%	0.54	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	121.5	176.3	43.7	0	0	0	0	110.3	V842 R843	V842-T865 WeakPolarHBondContact O-CA 3.36Å; R843-T865 HydrophobicContact CG-CG2 3.7Å
866	H	70.3	Confident	62	Low	70 Å²	70	67 Å²	67	32%	0.324	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	154.6	172.5	-68.3	-83.5	0	0	0	109.7	S841 V842 Q864 V870	S841-H866 CarbonylContact C-O 3.57Å; S841-H866 WeakPolarHBondContact CA-O 3.46Å; V842-H866 PolarHBondContact N-O 2.65Å; V842-H866 PolarHBondContact O-N 3.5Å; Q864-H866 WeakPolarHBondContact CG-NE2 3.41Å; H866-V870 HydrophobicContact CB-CB 4.41Å; H866-V870 HydrophobicContact CB-CG1 3.67Å; H866-V870 HydrophobicContact CB-CG2 3.73Å
867	T	70.3	Confident	62.2	Low	93 Å²	93	60.5 Å²	60.5	57%	0.571	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.6	167.9	44.9	0	0	0	0	108.6
868	T	61.9	Low	62.4	Low	4 Å²	4	58.5 Å²	58.5	3%	0.025	33%	0.331	C	S	.	.	S	Bend	trans	-61.8	143.1	173.7	42.9	0	0	0	0	110.9	L828 T830 L838 V840 V842 V870	L828-T868 HydrophobicContact CD2-CG2 4.12Å; L828-T868 HydrophobicContact CG-CG2 4.22Å; T830-T868 HydrophobicContact CG2-CG2 4.06Å; T830-T868 WeakPolarHBondContact OG1-CB 3.46Å; T830-T868 PolarHBondContact OG1-OG1 3.23Å; L838-T868 PolarHBondContact O-OG1 3.06Å; V840-T868 PolarHBondContact N-OG1 2.84Å; V840-T868 PolarHBondContact O-N 3.09Å; V840-T868 PolarHBondContact O-OG1 3.07Å; V842-T868 HydrophobicContact CB-CG2 4.38Å; V842-T868 HydrophobicContact CG2-CG2 3.54Å; T868-V870 HydrophobicContact CG2-CG2 3.99Å
869	P	57.1	Low	62.5	Low	37 Å²	37	56 Å²	56	24%	0.24	32%	0.321	C	S	.	.	S	Bend	cis	-76.8	138	6.6	30.1	-33.9	0	0	0	114.4	L329 E332 L828 V829	L329-P869 HydrophobicContact CB-CB 4.48Å; L329-P869 HydrophobicContact CD1-CB 3.79Å; L329-P869 HydrophobicContact CG-CB 4.15Å; L329-P869 HydrophobicContact CG-CG 4.4Å; E332-P869 HydrophobicContact CB-CG 4.11Å; E332-P869 HydrophobicContact CG-CG 4.3Å; L828-P869 WeakPolarHBondContact O-CA 3.49Å; V829-P869 HydrophobicContact CG2-CB 4.25Å
870	V	63.3	Low	62.6	Low	13 Å²	13	56.5 Å²	56.5	8%	0.079	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.3	-179.5	-152.6	0	0	0	0	110.8	L828 V844 H866 T868	L828-V870 PolarHBondContact N-O 3.21Å; L828-V870 PolarHBondContact O-N 3.13Å; L828-V870 VanDerWaalsContact O-N 3.14Å; V844-V870 HydrophobicContact CG2-CG1 4.44Å; H866-V870 HydrophobicContact CB-CB 4.41Å; H866-V870 HydrophobicContact CB-CG1 3.67Å; H866-V870 HydrophobicContact CB-CG2 3.73Å; T868-V870 HydrophobicContact CG2-CG2 3.99Å
871	L	61.3	Low	62.2	Low	54 Å²	54	57.1 Å²	57.1	28%	0.283	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.8	166.8	-64.8	171.3	0	0	0	109.6	L329 L333 T773 R826	L329-L871 HydrophobicContact CD2-CD2 4.45Å; L333-L871 HydrophobicContact CD1-CD1 3.95Å; L333-L871 HydrophobicContact CD1-CG 4.08Å; T773-L871 HydrophobicContact CG2-CD1 4.11Å; T773-L871 HydrophobicContact CG2-CD2 4.11Å; R826-L871 HydrophobicContact CB-CD2 4.24Å; R826-L871 WeakPolarHBondContact O-CA 3.32Å; R826-L871 VanDerWaalsContact O-CD2 3.32Å; R826-L871 WeakPolarHBondContact O-CD2 3.31Å
872	L	61.3	Low	62	Low	19 Å²	19	56 Å²	56	10%	0.099	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-94.8	123.2	176.8	-66.9	172.4	0	0	0	110.7	R826 L828 V844 A878 L892	R826-L872 PolarHBondContact NE-O 3.17Å; R826-L872 PolarHBondContact NH2-O 3Å; R826-L872 PolarHBondContact O-N 2.99Å; L828-L872 HydrophobicContact CB-CD1 3.97Å; L828-L872 HydrophobicContact CB-CG 4.17Å; L828-L872 HydrophobicContact CD2-CD1 4.43Å; V844-L872 HydrophobicContact CG1-CD2 3.78Å; V844-L872 HydrophobicContact CG2-CD2 3.89Å; L872-A878 HydrophobicContact CD1-CB 4.43Å; L872-A878 HydrophobicContact CD2-CB 3.84Å; L872-L892 WeakPolarHBondContact CD1-O 3.47Å
873	A	59.1	Low	61.9	Low	41 Å²	41	59.7 Å²	59.7	34%	0.339	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-74.7	167.2	172.9	0	0	0	0	0	111.8	G875 E876	A873-G875 PolarHBondContact O-N 3.28Å; A873-E876 WeakPolarHBondContact CA-OE2 3.44Å; A873-E876 HydrophobicContact CB-CG 3.9Å; A873-E876 WeakPolarHBondContact CB-OE1 3.45Å; A873-E876 WeakPolarHBondContact CB-OE2 3.22Å; A873-E876 PolarHBondContact N-OE2 3.06Å; A873-E876 PolarHBondContact O-N 3.05Å
874	H	53.3	Low	61.4	Low	58 Å²	58	58 Å²	58	27%	0.269	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	118.5	-172	174.8	-87.6	0	0	0	108.8	N699 R783	N699-H874 VanDerWaalsContact CG-ND1 3.31Å; N699-H874 PolarHBondContact ND2-CE1 3.11Å; N699-H874 VanDerWaalsContact ND2-CE1 3.29Å; N699-H874 PolarHBondContact ND2-ND1 3.16Å; R783-H874 PolarHBondContact NH2-CE1 2.94Å
875	G	55.5	Low	61	Low	37 Å²	37	53.9 Å²	53.9	38%	0.381	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	4.4	-171.6	0	0	0	0	0	114.3	A847 A873	A847-G875 PolarHBondContact N-O 3.02Å; A873-G875 PolarHBondContact O-N 3.28Å
876	E	62.8	Low	60.1	Low	82 Å²	82	53.9 Å²	53.9	38%	0.383	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	135.5	168.8	-68	177.3	173	0	0	110.3	V844 G845 A873	V844-E876 HydrophobicContact CG1-CB 3.81Å; V844-E876 HydrophobicContact CG1-CG 4.34Å; G845-E876 CarbonylContact O-C 3.53Å; G845-E876 WeakPolarHBondContact O-CA 3.31Å; A873-E876 WeakPolarHBondContact CA-OE2 3.44Å; A873-E876 HydrophobicContact CB-CG 3.9Å; A873-E876 WeakPolarHBondContact CB-OE1 3.45Å; A873-E876 WeakPolarHBondContact CB-OE2 3.22Å; A873-E876 PolarHBondContact N-OE2 3.06Å; A873-E876 PolarHBondContact O-N 3.05Å
877	R	57.4	Low	59.6	Low	76 Å²	76	52.7 Å²	52.7	29%	0.287	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.3	173.5	-178.5	172.2	-175.8	160.7	2.7	108.9	V844 G845 A847 A859 I860	V844-R877 WeakPolarHBondContact CA-O 2.99Å; G845-R877 PolarHBondContact N-O 3.27Å; G845-R877 PolarHBondContact O-N 3.34Å; A847-R877 HydrophobicContact CB-CB 4.09Å; A859-R877 VanDerWaalsContact CB-CZ 3.44Å; A859-R877 VanDerWaalsContact CB-NH1 3.32Å; I860-R877 HydrophobicContact CD1-CB 4.36Å; I860-R877 HydrophobicContact CD1-CG 4.27Å; I860-R877 VanDerWaalsContact CD1-O 3.24Å; I860-R877 WeakPolarHBondContact CD1-O 3.47Å; I860-R877 HydrophobicContact CG1-CB 4.02Å; I860-R877 HydrophobicContact CG1-CG 4.1Å
878	A	60.3	Low	59	Low	5 Å²	5	49.5 Å²	49.5	4%	0.041	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	140.7	170.9	0	0	0	0	0	110.6	L828 V842 R843 V844 L872 L892	L828-A878 HydrophobicContact CD2-CB 3.66Å; V842-A878 HydrophobicContact CG1-CB 3.4Å; R843-A878 CarbonylContact O-C 3.6Å; R843-A878 WeakPolarHBondContact O-CA 3.41Å; V844-A878 HydrophobicContact CG2-CB 4.41Å; L872-A878 HydrophobicContact CD1-CB 4.43Å; L872-A878 HydrophobicContact CD2-CB 3.84Å; A878-L892 HydrophobicContact CB-CB 3.84Å; A878-L892 HydrophobicContact CB-CD1 4.18Å
879	E	62	Low	58.7	Low	81 Å²	81	50 Å²	50	38%	0.379	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.4	168.8	-173.8	179.7	-170.5	0	0	108.6	V842 R843 I860 A881	V842-E879 CarbonylContact C-O 3.6Å; V842-E879 WeakPolarHBondContact CA-O 3.24Å; V842-E879 WeakPolarHBondContact CG1-O 3.36Å; R843-E879 PolarHBondContact N-O 2.81Å; R843-E879 PolarHBondContact O-N 3.11Å; I860-E879 HydrophobicContact CD1-CB 3.41Å; I860-E879 VanDerWaalsContact CD1-CB 3.41Å; E879-A881 PolarHBondContact O-N 2.93Å
880	L	62.1	Low	58.5	Low	25 Å²	25	51.2 Å²	51.2	13%	0.131	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	137.2	176.9	-73.4	155.9	0	0	0	110.1	V840 V842 P887 L892 L898	V840-L880 HydrophobicContact CB-CD2 4.41Å; V840-L880 HydrophobicContact CG1-CD2 3.63Å; V842-L880 HydrophobicContact CG2-CD2 4.25Å; L880-P887 HydrophobicContact CD1-CB 3.88Å; L880-P887 VanDerWaalsContact CD1-CD 3.43Å; L880-P887 HydrophobicContact CD1-CG 3.59Å; L880-L892 HydrophobicContact CG-CD1 3.9Å; L880-L898 HydrophobicContact CD1-CD2 3.73Å; L880-L898 HydrophobicContact CD2-CD1 4.14Å; L880-L898 HydrophobicContact CD2-CD2 4.05Å; L880-L898 HydrophobicContact CG-CD2 4.48Å
881	A	59	Low	58.1	Low	26 Å²	26	52 Å²	52	22%	0.215	28%	0.281	C	S	.	.	S	Bend	trans	-80.9	-20.8	178.7	0	0	0	0	0	112.7	S841 R843 E879	S841-A881 WeakPolarHBondContact O-CB 3.39Å; S841-A881 PolarHBondContact O-N 3.04Å; R843-A881 HydrophobicContact CG-CB 4.11Å; E879-A881 PolarHBondContact O-N 2.93Å
882	T	58.1	Low	57.9	Low	48 Å²	48	50 Å²	50	29%	0.294	27%	0.271	S	S	.	.			trans	-124.1	143.3	-176.4	55.1	0	0	0	0	111.8	E884	T882-E884 VanDerWaalsContact C-N 3.27Å
883	E	57.7	Low	57.6	Low	152 Å²	152	51.4 Å²	51.4	71%	0.71	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	3.5	176.5	-64	-175.4	173.2	0	0	113.3	Y885 N901 Y904	E883-Y885 PolarHBondContact O-N 3.02Å; E883-N901 WeakPolarHBondContact O-CB 3.45Å; E883-N901 PolarHBondContact O-ND2 3.35Å; E883-Y904 HydrophobicContact CB-CE2 4.42Å
884	E	54.3	Low	57.7	Low	83 Å²	83	49.6 Å²	49.6	39%	0.388	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.5	176.6	-67.7	173	178	0	0	111.9	T882 N901 Y904	T882-E884 VanDerWaalsContact C-N 3.27Å; E884-N901 WeakPolarHBondContact O-CB 3.49Å; E884-N901 PolarHBondContact O-N 3.1Å; E884-Y904 HydrophobicContact CG-CD1 4.12Å; E884-Y904 HydrophobicContact CG-CE1 3.7Å; E884-Y904 HydrophobicContact CG-CE2 4.22Å
885	Y	59.2	Low	57.8	Low	40 Å²	40	47.4 Å²	47.4	16%	0.157	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.3	-178.6	-64.1	-84.9	0	0	0	110.6	L838 V840 E883 L898 R899 K900	L838-Y885 HydrophobicContact CD2-CD1 4.16Å; L838-Y885 HydrophobicContact CD2-CE1 3.57Å; L838-Y885 HydrophobicContact CD2-CE2 4.07Å; V840-Y885 HydrophobicContact CG1-CD2 4.47Å; V840-Y885 HydrophobicContact CG2-CD2 4.22Å; V840-Y885 HydrophobicContact CG2-CE2 4.41Å; E883-Y885 PolarHBondContact O-N 3.02Å; Y885-L898 HydrophobicContact CD1-CB 4.13Å; Y885-L898 HydrophobicContact CG-CB 4.37Å; Y885-L898 HydrophobicContact CG-CD1 4.33Å; Y885-R899 CarbonylContact C-O 3.51Å; Y885-R899 VanDerWaalsContact CA-O 3.26Å; Y885-R899 WeakPolarHBondContact CA-O 3.46Å; Y885-K900 HydrophobicContact CD1-CG 3.95Å; Y885-K900 HydrophobicContact CE1-CD 4.35Å; Y885-K900 HydrophobicContact CE1-CG 3.47Å; Y885-K900 VanDerWaalsContact CE1-CG 3.47Å
886	L	56.8	Low	57.9	Low	88 Å²	88	45.6 Å²	45.6	46%	0.461	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.5	172.3	-71.8	171	0	0	0	109	R899 N901	L886-R899 PolarHBondContact N-O 3Å; L886-R899 PolarHBondContact O-N 3.17Å; L886-N901 HydrophobicContact CD1-CB 4.26Å; L886-N901 HydrophobicContact CG-CB 4.18Å
887	P	58.8	Low	57.9	Low	44 Å²	44	41.9 Å²	41.9	29%	0.286	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	138	175.4	33	-30.6	0	0	0	109.2	L880 T889 L892 V896 L898	L880-P887 HydrophobicContact CD1-CB 3.88Å; L880-P887 VanDerWaalsContact CD1-CD 3.43Å; L880-P887 HydrophobicContact CD1-CG 3.59Å; P887-T889 WeakPolarHBondContact CB-O 3.48Å; P887-T889 PolarHBondContact O-N 3.08Å; P887-L892 HydrophobicContact CB-CD2 3.72Å; P887-L892 HydrophobicContact CG-CD2 4.28Å; P887-V896 HydrophobicContact CB-CG1 3.93Å; P887-L898 HydrophobicContact CB-CD2 3.86Å
888	V	57.4	Low	58	Low	27 Å²	27	38.3 Å²	38.3	16%	0.164	20%	0.203	C	C	.	.	S	Bend	trans	-73.1	-16.3	179	-175	0	0	0	0	111.4	V285 I286 Q289 I897 R899	V285-V888 HydrophobicContact CG1-CG2 4.15Å; I286-V888 HydrophobicContact CB-CG1 4.49Å; I286-V888 HydrophobicContact CG1-CG1 3.65Å; Q289-V888 PolarHBondContact OE1-O 2.96Å; V888-I897 PolarHBondContact N-O 3Å; V888-R899 HydrophobicContact CG2-CG 3.83Å
889	T	56.1	Low	58.1	Low	13 Å²	13	41.4 Å²	41.4	8%	0.08	21%	0.214	C	C	.	.	S	Bend	trans	-114.5	141.6	170.9	179.7	0	0	0	0	111.3	P887 I891 V896	P887-T889 WeakPolarHBondContact CB-O 3.48Å; P887-T889 PolarHBondContact O-N 3.08Å; T889-I891 WeakPolarHBondContact CG2-O 3.24Å; T889-I891 PolarHBondContact O-N 3.45Å; T889-I891 PolarHBondContact OG1-N 2.99Å; T889-I891 PolarHBondContact OG1-O 3.19Å; T889-V896 HydrophobicContact CG2-CG1 4.05Å; T889-V896 HydrophobicContact CG2-CG2 4.11Å
890	P	52.7	Low	57.9	Low	64 Å²	64	43.3 Å²	43.3	42%	0.416	22%	0.221	S	C	.	.	S	Bend	trans	-71.5	-12.9	172.8	31	-37.5	0	0	0	113.9	E260	E260-P890 HydrophobicContact CG-CG 4.27Å; E260-P890 WeakPolarHBondContact OE1-CG 3.21Å
891	I	55.8	Low	57.5	Low	29 Å²	29	43.5 Å²	43.5	15%	0.149	22%	0.222	C	C	.	.	S	Bend	trans	-115.6	112.4	-180	-63.2	176.3	0	0	0	109.6	R263 T889 E893	R263-I891 VanDerWaalsContact NH1-CD1 3.33Å; T889-I891 WeakPolarHBondContact CG2-O 3.24Å; T889-I891 PolarHBondContact O-N 3.45Å; T889-I891 PolarHBondContact OG1-N 2.99Å; T889-I891 PolarHBondContact OG1-O 3.19Å; I891-E893 HydrophobicContact CG2-CB 4.32Å; I891-E893 HydrophobicContact CG2-CG 3.8Å; I891-E893 PolarHBondContact O-N 3.32Å; I891-E893 VanDerWaalsContact O-N 3.12Å
892	L	55.8	Low	57.1	Low	11 Å²	11	47.9 Å²	47.9	6%	0.058	25%	0.248	C	C	.	.			trans	-81.5	86.1	178	-60.2	177.4	0	0	0	110.7	L828 L872 A878 L880 P887 V896	L828-L892 HydrophobicContact CD1-CB 4.04Å; L828-L892 HydrophobicContact CD2-CB 4.39Å; L872-L892 WeakPolarHBondContact CD1-O 3.47Å; A878-L892 HydrophobicContact CB-CB 3.84Å; A878-L892 HydrophobicContact CB-CD1 4.18Å; L880-L892 HydrophobicContact CG-CD1 3.9Å; P887-L892 HydrophobicContact CB-CD2 3.72Å; P887-L892 HydrophobicContact CG-CD2 4.28Å; L892-V896 HydrophobicContact CB-CG2 4.33Å; L892-V896 HydrophobicContact CD2-CB 4.14Å; L892-V896 HydrophobicContact CD2-CG1 3.6Å; L892-V896 HydrophobicContact CD2-CG2 3.78Å
893	E	56.4	Low	56.7	Low	49 Å²	49	52.4 Å²	52.4	23%	0.229	27%	0.27	C	S	.	.			trans	-134.8	138	173.3	-74.1	-175.8	-161.8	0	0	111.3	R296 S781 D782 I891 F895	R296-E893 PolarHBondContact NH1-O 3.3Å; S781-E893 WeakPolarHBondContact CA-OE1 3.23Å; S781-E893 WeakPolarHBondContact CA-OE2 3.25Å; S781-E893 PolarHBondContact N-OE2 2.71Å; D782-E893 PolarHBondContact N-OE1 3.42Å; I891-E893 HydrophobicContact CG2-CB 4.32Å; I891-E893 HydrophobicContact CG2-CG 3.8Å; I891-E893 PolarHBondContact O-N 3.32Å; I891-E893 VanDerWaalsContact O-N 3.12Å; E893-F895 PolarHBondContact O-N 2.86Å
894	G	59.4	Low	55.8	Low	4 Å²	4	50.6 Å²	50.6	4%	0.041	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	71.9	-112.4	176.2	0	0	0	0	0	112.3	R296 M827 L828 V829	R296-G894 VanDerWaalsContact NH1-CA 3.28Å; M827-G894 CarbonylContact O-C 3.38Å; M827-G894 WeakPolarHBondContact O-CA 3.46Å; M827-G894 PolarHBondContact O-N 2.66Å; L828-G894 CarbonylContact C-O 3.54Å; L828-G894 WeakPolarHBondContact CA-O 3.05Å; V829-G894 PolarHBondContact N-O 3.04Å
895	F	57.2	Low	55.1	Low	11 Å²	11	55.6 Å²	55.6	5%	0.048	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.7	179.3	-64.6	-63.8	0	0	0	109.8	F292 L322 N325 M827 V829 F831 E893	F292-F895 HydrophobicContact CB-CB 4.28Å; F292-F895 HydrophobicContact CD1-CB 3.99Å; F292-F895 AromaticContact CD1-CD2 3.6Å; F292-F895 HydrophobicContact CD1-CD2 3.6Å; F292-F895 HydrophobicContact CD1-CE2 4.24Å; F292-F895 AromaticContact CD1-CG 3.97Å; F292-F895 HydrophobicContact CD1-CG 3.97Å; F292-F895 HydrophobicContact CD2-CB 4.42Å; F292-F895 HydrophobicContact CE1-CB 4.43Å; F292-F895 HydrophobicContact CE1-CD2 4.01Å; F292-F895 HydrophobicContact CE1-CE2 4.36Å; F292-F895 HydrophobicContact CE1-CG 4.19Å; F292-F895 HydrophobicContact CG-CB 3.99Å; F292-F895 HydrophobicContact CG-CD2 4.36Å; F292-F895 HydrophobicContact CG-CG 4.47Å; L322-F895 HydrophobicContact CD1-CE2 4.45Å; N325-F895 HydrophobicContact CB-CE1 4.18Å; N325-F895 HydrophobicContact CB-CZ 4.37Å; M827-F895 HydrophobicContact CE-CE1 3.73Å; M827-F895 HydrophobicContact CE-CE2 3.79Å; M827-F895 HydrophobicContact CE-CZ 3.18Å; M827-F895 HydrophobicContact SD-CZ 4.47Å; V829-F895 HydrophobicContact CB-CD1 3.91Å; V829-F895 HydrophobicContact CB-CE1 4.07Å; V829-F895 HydrophobicContact CG2-CE1 4.31Å; V829-F895 WeakPolarHBondContact O-CA 3.37Å; F831-F895 HydrophobicContact CD2-CB 4.28Å; F831-F895 HydrophobicContact CD2-CD1 4.04Å; F831-F895 HydrophobicContact CE2-CB 3.93Å; F831-F895 AromaticContact CE2-CD1 3.05Å; F831-F895 HydrophobicContact CE2-CD1 3.05Å; F831-F895 AromaticContact CE2-CE1 3.58Å; F831-F895 HydrophobicContact CE2-CE1 3.58Å; F831-F895 AromaticContact CE2-CG 3.73Å; F831-F895 HydrophobicContact CE2-CG 3.73Å; F831-F895 AromaticContact CZ-CD1 3.51Å; F831-F895 HydrophobicContact CZ-CD1 3.51Å; F831-F895 AromaticContact CZ-CE1 3.54Å; F831-F895 HydrophobicContact CZ-CE1 3.54Å; E893-F895 PolarHBondContact O-N 2.86Å
896	V	56.5	Low	54	Low	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.6	177.9	179.3	0	0	0	0	108.9	L828 V829 T830 F831 P887 T889 L892 L898	L828-V896 HydrophobicContact CD1-CG2 3.88Å; V829-V896 PolarHBondContact O-N 2.66Å; T830-V896 CarbonylContact C-O 3.59Å; T830-V896 VanDerWaalsContact CA-O 3.32Å; T830-V896 WeakPolarHBondContact CA-O 3.27Å; T830-V896 HydrophobicContact CG2-CB 4.37Å; F831-V896 PolarHBondContact N-O 2.91Å; P887-V896 HydrophobicContact CB-CG1 3.93Å; T889-V896 HydrophobicContact CG2-CG1 4.05Å; T889-V896 HydrophobicContact CG2-CG2 4.11Å; L892-V896 HydrophobicContact CB-CG2 4.33Å; L892-V896 HydrophobicContact CD2-CB 4.14Å; L892-V896 HydrophobicContact CD2-CG1 3.6Å; L892-V896 HydrophobicContact CD2-CG2 3.78Å; V896-L898 HydrophobicContact CG1-CD2 4Å
897	I	62.7	Low	53.9	Low	4 Å²	4	61.9 Å²	61.9	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.8	168.3	-53.1	172.8	0	0	0	108.2	V285 K288 Q289 F292 F831 V888	V285-I897 HydrophobicContact CG1-CB 4.29Å; V285-I897 HydrophobicContact CG1-CD1 4.35Å; V285-I897 HydrophobicContact CG1-CG2 3.64Å; K288-I897 HydrophobicContact CB-CD1 3.82Å; Q289-I897 HydrophobicContact CB-CD1 4.22Å; F292-I897 HydrophobicContact CE2-CD1 4.44Å; F831-I897 HydrophobicContact CB-CG1 4.47Å; F831-I897 WeakPolarHBondContact O-CA 3.28Å; V888-I897 PolarHBondContact N-O 3Å
898	L	59.4	Low	53.6	Low	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.9	177.6	-66.9	-177.4	0	0	0	109	T830 F831 V840 L880 Y885 P887 V896	T830-L898 HydrophobicContact CG2-CD1 3.76Å; T830-L898 HydrophobicContact CG2-CG 4.1Å; F831-L898 PolarHBondContact O-N 3.28Å; V840-L898 HydrophobicContact CB-CD1 4.01Å; V840-L898 HydrophobicContact CG1-CD1 4.31Å; V840-L898 HydrophobicContact CG2-CD1 3.52Å; L880-L898 HydrophobicContact CD1-CD2 3.73Å; L880-L898 HydrophobicContact CD2-CD1 4.14Å; L880-L898 HydrophobicContact CD2-CD2 4.05Å; L880-L898 HydrophobicContact CG-CD2 4.48Å; Y885-L898 HydrophobicContact CD1-CB 4.13Å; Y885-L898 HydrophobicContact CG-CB 4.37Å; Y885-L898 HydrophobicContact CG-CD1 4.33Å; P887-L898 HydrophobicContact CB-CD2 3.86Å; V896-L898 HydrophobicContact CG1-CD2 4Å
899	R	62.9	Low	53.4	Low	71 Å²	71	64.8 Å²	64.8	27%	0.268	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	145.3	166.4	-70.1	-169.3	-171	178.8	2.4	110.1	D283 E833 Y885 L886 V888 N901	D283-R899 IonicContact OD1-CZ 3.59Å; D283-R899 IonicContact OD1-NH2 2.78Å; D283-R899 PolarHBondContact OD1-NH2 3.44Å; D283-R899 IonicContact OD2-CZ 3.89Å; D283-R899 VanDerWaalsContact OD2-CZ 3.28Å; D283-R899 IonicContact OD2-NH1 2.59Å; D283-R899 PolarHBondContact OD2-NH1 3Å; D283-R899 IonicContact OD2-NH2 3.82Å; D283-R899 PolarHBondContact OD2-NH2 3.11Å; E833-R899 HydrophobicContact CG-CG 4.29Å; E833-R899 WeakPolarHBondContact OE1-CG 3.49Å; Y885-R899 CarbonylContact C-O 3.51Å; Y885-R899 VanDerWaalsContact CA-O 3.26Å; Y885-R899 WeakPolarHBondContact CA-O 3.46Å; L886-R899 PolarHBondContact N-O 3Å; L886-R899 PolarHBondContact O-N 3.17Å; V888-R899 HydrophobicContact CG2-CG 3.83Å; R899-N901 PolarHBondContact O-N 2.88Å
900	K	57.6	Low	53.3	Low	120 Å²	120	67.9 Å²	67.9	52%	0.522	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.6	168.4	-76	176.6	-175	164.8	0	109.1	Y885 P902	Y885-K900 HydrophobicContact CD1-CG 3.95Å; Y885-K900 HydrophobicContact CE1-CD 4.35Å; Y885-K900 HydrophobicContact CE1-CG 3.47Å; Y885-K900 VanDerWaalsContact CE1-CG 3.47Å; K900-P902 VanDerWaalsContact O-CD 3.24Å; K900-P902 WeakPolarHBondContact O-CD 3.45Å
901	N	54.4	Low	53.3	Low	30 Å²	30	68.1 Å²	68.1	16%	0.16	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-69.7	116.4	-180	-174.7	-4.2	0	0	0	109.8	E883 E884 L886 R899 N903 Y904	E883-N901 WeakPolarHBondContact O-CB 3.45Å; E883-N901 PolarHBondContact O-ND2 3.35Å; E884-N901 WeakPolarHBondContact O-CB 3.49Å; E884-N901 PolarHBondContact O-N 3.1Å; L886-N901 HydrophobicContact CD1-CB 4.26Å; L886-N901 HydrophobicContact CG-CB 4.18Å; R899-N901 PolarHBondContact O-N 2.88Å; N901-N903 PolarHBondContact O-N 2.92Å; N901-N903 PolarHBondContact OD1-N 2.81Å; N901-N903 VanDerWaalsContact OD1-N 3.09Å; N901-Y904 PolarHBondContact O-N 3.13Å
902	P	50.8	Low	53.2	Low	117 Å²	117	70.7 Å²	70.7	76%	0.76	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.3	180	27.7	-33.7	0	0	0	113.4	K900	K900-P902 VanDerWaalsContact O-CD 3.24Å; K900-P902 WeakPolarHBondContact O-CD 3.45Å
903	N	48.1	Very low	53	Low	143 Å²	143	75 Å²	75	77%	0.765	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	4.9	178.4	-68.2	-19.4	0	0	0	113.8	N901 E905	N901-N903 PolarHBondContact O-N 2.92Å; N901-N903 PolarHBondContact OD1-N 2.81Å; N901-N903 VanDerWaalsContact OD1-N 3.09Å; N903-E905 PolarHBondContact O-N 3.49Å
904	Y	39.9	Very low	52.7	Low	115 Å²	115	77 Å²	77	45%	0.451	40%	0.395	S	S	.	.			trans	-88.4	90.3	176.6	-153.7	-95	0	0	0	109.5	E883 E884 N901	E883-Y904 HydrophobicContact CB-CE2 4.42Å; E884-Y904 HydrophobicContact CG-CD1 4.12Å; E884-Y904 HydrophobicContact CG-CE1 3.7Å; E884-Y904 HydrophobicContact CG-CE2 4.22Å; N901-Y904 PolarHBondContact O-N 3.13Å
905	E	38.3	Very low	52.1	Low	187 Å²	187	83.1 Å²	83.1	87%	0.874	42%	0.424	S	S	*	.			trans	-71	126.7	163.4	-77.4	-170.7	156.9	0	0	108.8	N903	N903-E905 PolarHBondContact O-N 3.49Å
906	T	37.8	Very low	51.7	Low	199 Å²	199	89.6 Å²	89.6	100%	1.221	46%	0.458	S	S	*	.			trans	-47	0	178.7	44.2	0	0	0	0	115.9

Retrieved 906 of 906 residues in 267.2 ms (Link to these results)

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