A0A3Q0KKX2_SCHMA Loading...

Peptidase_M13_N domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KKX2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,162 aa.

						>A0A3Q0KKX2_SCHMA|A0A3Q0KKX2
MKIKNFNKQFSLKSINTTGNIDKIELTSMYTGPPFAIASRQIENGLLDCKELLDSKMFYNISNLTNNNGNTTTTTKNNTTINNSSNVSYIPSGSKYECYHSLLSNEEQVYNTNNLKSIPRRKFLSKQYKSIDVMMKPSSITDYDDITIKTSNKSVAFIECDNYKLDTMETIHNEPEYIQMKNKIKNKTKSIIDNLLHNRSLTCCKPNMNYNLCTNLSDYIHANNRRKQIVMVIIVLSILLLIIIIITMVILYKLYDESSTTSYSLSPTSSPTSSPTLSSSASSLRLSSELLSLEPLHSTLSSLNRIPTYNQQLNISKVLSTNHSNSNNSSSNNSSISISISSIDQKCKTQKFCLNISCLQIASILAERLGRYNRPKLITNLLNNQCTIEHIDQIIKIFYIGDEFHLSTNDNSLYKFKQKRLSTLWLYISNELQNYIIENKKRSSFIWTEKLAYLFQHLIDQSIFKKNMTNINTTKMMIRNDHDDRQSTDGIHSVNKPFNDDNDDIQKKQSKMYENSSIIDSLIQYNTSRIPRPILINKKTYSSLTNSTIKMIQSNEFEMYNLSYKTELEQLNDLLKLGNIAFHGLDTVLINVQLNLRVPLFFSAWIERSHTPGLMDSLIPMLDNCEQPELPTYEELKDYVTDKSKYFVTSSSSKLFNTSPLDYSASSSSSSTPFLWNRVHELRYYIHHLGQLAWKARYSSIADQHFSDGSSKYLNFSGVLPVLYKLQKLNHHSEINRTNAQKITIRELMQITQHTINFPRYLGKLTSRNHLTIMPSDMQVWVTNIDYYDKLGRLLQQTSFSELQDYITFAILHKYGGYVDQKTAQLKNKFLKPYAESLGIDQVSYWPFLLDLASPGLQQILQSRWTSIQLNYAIKQFHHEILTPVQTIMIKLLNRSISETMKCYHLLNKISSMKIQLMSHNGHETMEDFYSELKIQSRQSLLMQLVQFNNFLSQKAISTELSKLIPDLGLSSGGSKLFHYIQSSNILEISLLLLQWPYFMPDLSIPRYLNFGYLWYSVTKILSSLFINDRCLDVSIFYQGEQDEFDLYVRKFLLDSKFIDQWLTWSKTPNVFQSILAIEITGRIYKDYLSIHHNQPDSNLPGIFLTNKELFYQWIFQLICPGFDYSNTITHNKVLLHSIKECDVIRTALKLSPTFRWFMECP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	28.8	Very low	25.2	Very low	244 Å²	244	183.5 Å²	183.5	100%	1.202	88%	0.883	S	S	*	*				0	126.1	0	-81.2	172	162.6	0	0	108.8
2	K	23.1	Very low	24.9	Very low	213 Å²	213	180.8 Å²	180.8	93%	0.926	88%	0.875	S	S	*	*			trans	-81.3	122.8	-179.4	-78.6	176.9	175.2	174.7	0	110.1
3	I	30.1	Very low	24.8	Very low	169 Å²	169	181.2 Å²	181.2	87%	0.867	87%	0.87	S	S	*	*			trans	-125.8	94.2	159.9	-61.6	177.8	0	0	0	107.1
4	K	24.7	Very low	24.6	Very low	198 Å²	198	175.3 Å²	175.3	86%	0.861	86%	0.857	S	S	*	*			trans	-130.8	100.1	166.7	-135.3	-173.1	-172	-176.9	0	104.4
5	N	27.4	Very low	24.3	Very low	147 Å²	147	173.1 Å²	173.1	79%	0.786	85%	0.849	S	S	*	*			trans	156.2	84.5	155.5	-82.3	-9.7	0	0	0	110.7
6	F	27.7	Very low	24.3	Very low	209 Å²	209	171.6 Å²	171.6	92%	0.917	85%	0.845	S	S	*	*			trans	-151.1	84	147.5	-109	-78.7	0	0	0	107.5
7	N	24.2	Very low	24.3	Very low	160 Å²	160	168.6 Å²	168.6	86%	0.856	84%	0.839	S	S	*	*			trans	-150.6	78.7	164.4	-103	-10.4	0	0	0	106.3
8	K	23.7	Very low	24.2	Very low	196 Å²	196	167.4 Å²	167.4	85%	0.852	84%	0.843	S	S	*	*			trans	-174.4	85.8	165.9	-110.5	177.9	-176.6	-176.1	0	109.4
9	Q	23.5	Very low	24.3	Very low	174 Å²	174	162.3 Å²	162.3	81%	0.813	84%	0.836	S	S	*	*	S	Bend	trans	176.8	140.1	137.4	-96.9	165.9	-1.1	0	0	108.4
10	F	23.9	Very low	24.3	Very low	201 Å²	201	162.6 Å²	162.6	88%	0.882	84%	0.839	S	S	*	*			trans	87.8	63.2	179.9	-51.4	-69.6	0	0	0	117.2
11	S	19.9	Very low	24.4	Very low	107 Å²	107	162.8 Å²	162.8	75%	0.748	84%	0.84	S	S	*	*			trans	-94.9	135.8	131	60.4	0	0	0	0	108
12	L	22.2	Very low	24.2	Very low	151 Å²	151	158 Å²	158	79%	0.791	82%	0.819	S	S	*	*			trans	179.2	129.2	141.5	-95.5	160	0	0	0	113.1
13	K	23.3	Very low	24.4	Very low	187 Å²	187	157.5 Å²	157.5	81%	0.813	82%	0.817	S	S	*	*			trans	66.2	114.4	142.6	-76.1	174.8	-174.4	-179	0	122
14	S	21.4	Very low	24.1	Very low	98 Å²	98	156.8 Å²	156.8	69%	0.685	81%	0.813	S	S	*	*			trans	-47.6	151.1	149.4	54.9	0	0	0	0	115.4
15	I	21.3	Very low	24	Very low	143 Å²	143	155.7 Å²	155.7	73%	0.733	81%	0.811	S	S	*	*			trans	128.2	126.8	140.7	-66.8	168.3	0	0	0	115.6
16	N	24.5	Very low	23.8	Very low	148 Å²	148	156.3 Å²	156.3	79%	0.791	81%	0.814	S	S	*	*			trans	74.6	128.2	152.8	-68.9	-6.2	0	0	0	124.2
17	T	23.3	Very low	23.5	Very low	121 Å²	121	153.1 Å²	153.1	74%	0.742	81%	0.812	S	S	*	*			trans	-55.1	130.1	166.3	46.9	0	0	0	0	114
18	T	23.5	Very low	23.5	Very low	148 Å²	148	150.7 Å²	150.7	91%	0.908	81%	0.807	S	S	*	*			trans	144.8	112.3	138	46.8	0	0	0	0	109.9
19	G	25.3	Very low	23.6	Very low	69 Å²	69	149.6 Å²	149.6	71%	0.711	81%	0.807	S	S	*	*	S	Bend	trans	142.3	109.9	171.7	0	0	0	0	0	113	I21	G19-I21 PolarHBondContact O-N 3.37Å
20	N	23.9	Very low	23.6	Very low	169 Å²	169	151.9 Å²	151.9	90%	0.904	81%	0.81	S	S	*	*			trans	-10.5	109.9	167	-77	-17.1	0	0	0	115.8
21	I	27.3	Very low	23.7	Very low	167 Å²	167	148.8 Å²	148.8	86%	0.856	81%	0.808	S	S	*	*			trans	-125.4	124.8	152.3	-63.8	178	0	0	0	107.1	G19	G19-I21 PolarHBondContact O-N 3.37Å
22	D	25.1	Very low	23.9	Very low	143 Å²	143	145.9 Å²	145.9	77%	0.765	80%	0.795	S	S	*	*			trans	-51	149.4	-175	-70.8	-56.1	0	0	0	114.1	I24	D22-I24 PolarHBondContact O-N 2.99Å
23	K	25.5	Very low	24.2	Very low	203 Å²	203	143.4 Å²	143.4	88%	0.883	79%	0.788	S	S	*	*	S	Bend	trans	-29.8	93.1	163	-71.7	171.3	172.4	174.1	0	112.9
24	I	24	Very low	24.8	Very low	153 Å²	153	139.7 Å²	139.7	79%	0.785	78%	0.783	S	S	*	*	S	Bend	trans	-164	132.1	146	-83.5	129.4	0	0	0	104.9	D22	D22-I24 PolarHBondContact O-N 2.99Å
25	E	23.5	Very low	25.1	Very low	175 Å²	175	143.6 Å²	143.6	82%	0.818	79%	0.788	S	S	*	*			trans	80.2	67.4	179.9	-66.1	-180	170.3	0	0	118.1
26	L	22	Very low	25.7	Very low	161 Å²	161	139.6 Å²	139.6	84%	0.843	78%	0.776	S	S	*	*			trans	-134.1	35.4	153.6	-129.1	137.1	0	0	0	112
27	T	22.6	Very low	26.3	Very low	141 Å²	141	136.1 Å²	136.1	87%	0.865	76%	0.757	S	S	*	*			trans	-106.3	18.1	-176.5	46.9	0	0	0	0	114.7
28	S	25	Very low	26.7	Very low	109 Å²	109	132.2 Å²	132.2	76%	0.762	74%	0.737	S	S	*	*	S	Bend	trans	-132.3	56.8	177	67.9	0	0	0	0	113.1
29	M	24	Very low	27.2	Very low	174 Å²	174	128 Å²	128	86%	0.857	71%	0.714	S	S	*	*			trans	-161.2	34.8	170	-113.5	169.8	-161.8	0	0	115.4
30	Y	24.5	Very low	27.7	Very low	221 Å²	221	133.2 Å²	133.2	87%	0.867	71%	0.712	S	S	*	*			trans	-129.8	78.2	168.4	-82.5	-82.8	0	0	0	110.6
31	T	25.6	Very low	28.3	Very low	137 Å²	137	129 Å²	129	84%	0.84	69%	0.687	S	S	*	*			trans	-122.7	95.4	170.4	53.6	0	0	0	0	108.5
32	G	25.4	Very low	28.7	Very low	46 Å²	46	125.5 Å²	125.5	47%	0.474	67%	0.669	S	S	.	*	S	Bend	trans	148.4	144.3	169.9	0	0	0	0	0	113.2
33	P	27.5	Very low	29.3	Very low	98 Å²	98	126 Å²	126	64%	0.636	67%	0.666	S	S	*	*			trans	-59.2	132.6	171.7	-17.1	29.4	0	0	0	109.5	F35 A36	P33-F35 PolarHBondContact O-N 3.37Å; P33-A36 PolarHBondContact O-N 3.12Å
34	P	34.9	Very low	30.1	Very low	109 Å²	109	121.7 Å²	121.7	71%	0.708	65%	0.653	S	S	*	*	H	α-helix	trans	-52.9	-31.4	-170.7	-27	31.9	0	0	0	114.9	A38	P34-A38 WeakPolarHBondContact O-CB 3.46Å; P34-A38 PolarHBondContact O-N 3.2Å; P34-A38 VanDerWaalsContact O-N 3.13Å
35	F	29.1	Very low	30.5	Very low	180 Å²	180	117.5 Å²	117.5	79%	0.789	65%	0.648	S	S	*	*	H	α-helix	trans	-73.9	-34.3	-173.6	-95.9	-85.5	0	0	0	115.1	P33 S39	P33-F35 PolarHBondContact O-N 3.37Å; F35-S39 PolarHBondContact O-N 3.04Å
36	A	34	Very low	31.4	Very low	60 Å²	60	115.6 Å²	115.6	50%	0.496	64%	0.642	S	S	.	*	H	α-helix	trans	-74.6	-29	-179.2	0	0	0	0	0	112.2	P33 S39 R40	P33-A36 PolarHBondContact O-N 3.12Å; A36-S39 PolarHBondContact O-OG 3.5Å; A36-R40 WeakPolarHBondContact O-CB 3.49Å; A36-R40 PolarHBondContact O-N 2.97Å
37	I	36.9	Very low	31.6	Very low	74 Å²	74	110.7 Å²	110.7	38%	0.379	62%	0.617	S	S	.	*	H	α-helix	trans	-78.3	-42.1	175.7	-62.9	173.8	0	0	0	109.9	S39 R40 Q41	I37-S39 VanDerWaalsContact C-N 3.32Å; I37-S39 PolarHBondContact O-N 3.4Å; I37-R40 PolarHBondContact O-N 2.98Å; I37-Q41 HydrophobicContact CG2-CG 4.12Å; I37-Q41 WeakPolarHBondContact O-CB 3.4Å; I37-Q41 WeakPolarHBondContact O-CG 3.38Å; I37-Q41 PolarHBondContact O-N 2.96Å
38	A	30.4	Very low	32.1	Very low	40 Å²	40	109.8 Å²	109.8	33%	0.331	61%	0.606	S	S	.	*	H	α-helix	trans	-57.7	-44.3	174.1	0	0	0	0	0	111.5	P34 R40 Q41 I42	P34-A38 WeakPolarHBondContact O-CB 3.46Å; P34-A38 PolarHBondContact O-N 3.2Å; P34-A38 VanDerWaalsContact O-N 3.13Å; A38-R40 PolarHBondContact O-N 3.49Å; A38-Q41 PolarHBondContact O-N 3.45Å; A38-I42 WeakPolarHBondContact O-CD1 3.34Å; A38-I42 WeakPolarHBondContact O-CG1 3.48Å; A38-I42 PolarHBondContact O-N 3.38Å
39	S	35.1	Very low	32.5	Very low	60 Å²	60	108 Å²	108	42%	0.42	59%	0.594	S	S	.	*	H	α-helix	trans	-64.9	-41.6	177.5	93.8	0	0	0	0	112.4	F35 A36 I37 I42 E43	F35-S39 PolarHBondContact O-N 3.04Å; A36-S39 PolarHBondContact O-OG 3.5Å; I37-S39 VanDerWaalsContact C-N 3.32Å; I37-S39 PolarHBondContact O-N 3.4Å; S39-I42 PolarHBondContact O-N 2.84Å; S39-E43 WeakPolarHBondContact O-CG 3.23Å; S39-E43 PolarHBondContact O-N 3.36Å
40	R	35.8	Very low	32.9	Very low	178 Å²	178	107.8 Å²	107.8	67%	0.672	59%	0.588	S	S	*	*	H	α-helix	trans	-68.5	-33.8	178.6	-108.8	178.3	174.1	160.2	-0.4	113.4	A36 I37 A38 N44	A36-R40 WeakPolarHBondContact O-CB 3.49Å; A36-R40 PolarHBondContact O-N 2.97Å; I37-R40 PolarHBondContact O-N 2.98Å; A38-R40 PolarHBondContact O-N 3.49Å; R40-N44 WeakPolarHBondContact O-CB 3.37Å; R40-N44 PolarHBondContact O-N 3.38Å; R40-N44 VanDerWaalsContact O-N 3.09Å; R40-N44 PolarHBondContact O-ND2 3.49Å
41	Q	36	Very low	33.5	Very low	80 Å²	80	105.3 Å²	105.3	37%	0.374	58%	0.584	S	S	.	*	H	α-helix	trans	-76.8	-29.2	178	-69.4	179.8	-33	0	0	112.2	I37 A38 G45 L46 L47	I37-Q41 HydrophobicContact CG2-CG 4.12Å; I37-Q41 WeakPolarHBondContact O-CB 3.4Å; I37-Q41 WeakPolarHBondContact O-CG 3.38Å; I37-Q41 PolarHBondContact O-N 2.96Å; A38-Q41 PolarHBondContact O-N 3.45Å; Q41-G45 PolarHBondContact O-N 2.89Å; Q41-L46 PolarHBondContact O-N 3.4Å; Q41-L46 VanDerWaalsContact O-N 3.12Å; Q41-L47 HydrophobicContact CB-CB 4.46Å; Q41-L47 HydrophobicContact CB-CD1 3.35Å; Q41-L47 HydrophobicContact CB-CG 4.43Å; Q41-L47 HydrophobicContact CG-CD1 4.15Å; Q41-L47 PolarHBondContact O-N 2.93Å
42	I	36.3	Very low	33.8	Very low	93 Å²	93	102.3 Å²	102.3	48%	0.477	56%	0.562	S	S	.	*	H	α-helix	trans	-66.3	-46.3	167.9	-67.7	164.2	0	0	0	110.4	A38 S39 N44 G45	A38-I42 WeakPolarHBondContact O-CD1 3.34Å; A38-I42 WeakPolarHBondContact O-CG1 3.48Å; A38-I42 PolarHBondContact O-N 3.38Å; S39-I42 PolarHBondContact O-N 2.84Å; I42-N44 VanDerWaalsContact C-N 3.28Å; I42-N44 PolarHBondContact O-N 3.26Å; I42-G45 PolarHBondContact O-N 2.94Å
43	E	37.6	Very low	34.1	Very low	153 Å²	153	107 Å²	107	72%	0.715	58%	0.576	S	S	*	*	H	α-helix	trans	-62.4	-33	178.2	-78.3	-179.5	167.1	0	0	113.2	S39	S39-E43 WeakPolarHBondContact O-CG 3.23Å; S39-E43 PolarHBondContact O-N 3.36Å
44	N	41.5	Very low	34.2	Very low	114 Å²	114	109.7 Å²	109.7	61%	0.61	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	3.7	-179.5	-70	-16.5	0	0	0	114.1	R40 I42 L46	R40-N44 WeakPolarHBondContact O-CB 3.37Å; R40-N44 PolarHBondContact O-N 3.38Å; R40-N44 VanDerWaalsContact O-N 3.09Å; R40-N44 PolarHBondContact O-ND2 3.49Å; I42-N44 VanDerWaalsContact C-N 3.28Å; I42-N44 PolarHBondContact O-N 3.26Å; N44-L46 HydrophobicContact CB-CD1 4.21Å; N44-L46 HydrophobicContact CB-CG 4.45Å; N44-L46 PolarHBondContact O-N 2.92Å
45	G	34	Very low	33.9	Very low	65 Å²	65	106.7 Å²	106.7	67%	0.67	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	65	19.2	178.4	0	0	0	0	0	114.7	Q41 I42	Q41-G45 PolarHBondContact O-N 2.89Å; I42-G45 PolarHBondContact O-N 2.94Å
46	L	41	Very low	33.9	Very low	134 Å²	134	108 Å²	108	70%	0.702	57%	0.572	S	S	*	*			trans	-87	-15.5	179.9	-75.6	166.1	0	0	0	112.9	Q41 N44	Q41-L46 PolarHBondContact O-N 3.4Å; Q41-L46 VanDerWaalsContact O-N 3.12Å; N44-L46 HydrophobicContact CB-CD1 4.21Å; N44-L46 HydrophobicContact CB-CG 4.45Å; N44-L46 PolarHBondContact O-N 2.92Å
47	L	27.5	Very low	33.5	Very low	59 Å²	59	113.4 Å²	113.4	31%	0.309	59%	0.589	S	S	.	*	S	Bend	trans	-113.6	105.2	176.6	-106.1	137.3	0	0	0	109.2	Q41 C49 L52	Q41-L47 HydrophobicContact CB-CB 4.46Å; Q41-L47 HydrophobicContact CB-CD1 3.35Å; Q41-L47 HydrophobicContact CB-CG 4.43Å; Q41-L47 HydrophobicContact CG-CD1 4.15Å; Q41-L47 PolarHBondContact O-N 2.93Å; L47-C49 PolarHBondContact O-N 3.28Å; L47-L52 HydrophobicContact CD2-CD1 3.66Å
48	D	33	Very low	33	Very low	121 Å²	121	117.4 Å²	117.4	65%	0.647	60%	0.604	S	S	*	*			trans	-73.6	114.8	173.5	-156.8	-5.9	0	0	0	108.5	K50 E51	D48-K50 PolarHBondContact O-N 2.91Å; D48-E51 PolarHBondContact O-N 2.86Å
49	C	32.5	Very low	32.6	Very low	73 Å²	73	125.4 Å²	125.4	49%	0.493	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.5	-2.5	-172	-70.1	0	0	0	0	113.8	L47	L47-C49 PolarHBondContact O-N 3.28Å
50	K	32.5	Very low	32	Very low	168 Å²	168	130 Å²	130	73%	0.73	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-32	173.1	-95.2	-179.3	173.6	178.8	0	113.7	D48	D48-K50 PolarHBondContact O-N 2.91Å
51	E	36.8	Very low	31.3	Very low	170 Å²	170	129.3 Å²	129.3	79%	0.794	66%	0.655	S	S	*	*	S	Bend	trans	-81	-19.4	-178.7	-70.9	-173.1	163.3	0	0	113.4	D48 L53	D48-E51 PolarHBondContact O-N 2.86Å; E51-L53 VanDerWaalsContact C-N 3.35Å; E51-L53 PolarHBondContact O-N 3.46Å
52	L	33.1	Very low	30.7	Very low	73 Å²	73	130.4 Å²	130.4	38%	0.382	67%	0.671	S	S	.	*	G	3₁₀ helix	trans	-76.7	-20.3	-178.4	-113.6	145.7	0	0	0	113.6	L47 D54 S55 F58	L47-L52 HydrophobicContact CD2-CD1 3.66Å; L52-D54 VanDerWaalsContact C-N 3.28Å; L52-D54 PolarHBondContact O-N 3.45Å; L52-S55 PolarHBondContact O-N 2.92Å; L52-S55 PolarHBondContact O-OG 2.9Å; L52-F58 HydrophobicContact CD2-CE2 4.05Å
53	L	30.2	Very low	30.1	Very low	146 Å²	146	134 Å²	134	76%	0.764	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-68	-21.7	179.5	-92.8	139.2	0	0	0	113.9	E51	E51-L53 VanDerWaalsContact C-N 3.35Å; E51-L53 PolarHBondContact O-N 3.46Å
54	D	30.5	Very low	29.3	Very low	153 Å²	153	134.5 Å²	134.5	82%	0.818	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-97.7	3.4	179.8	-75.8	-17.1	0	0	0	113.9	L52 K56	L52-D54 VanDerWaalsContact C-N 3.28Å; L52-D54 PolarHBondContact O-N 3.45Å; D54-K56 PolarHBondContact O-N 3.41Å
55	S	28.9	Very low	28.4	Very low	46 Å²	46	134.6 Å²	134.6	32%	0.322	70%	0.703	S	S	.	*			trans	-81.1	116.3	174.1	70.2	0	0	0	0	110.8	L52 M57 F58	L52-S55 PolarHBondContact O-N 2.92Å; L52-S55 PolarHBondContact O-OG 2.9Å; S55-M57 PolarHBondContact O-N 2.96Å; S55-F58 PolarHBondContact O-N 3.24Å
56	K	29.1	Very low	27.9	Very low	207 Å²	207	139 Å²	139	90%	0.9	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	12.7	175.5	-85.5	-176.8	176.5	178	0	115.5	D54	D54-K56 PolarHBondContact O-N 3.41Å
57	M	25.5	Very low	26.9	Very low	175 Å²	175	139.8 Å²	139.8	86%	0.862	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-8.8	173.4	-87.9	-169.6	159.4	0	0	114.1	S55	S55-M57 PolarHBondContact O-N 2.96Å
58	F	24.9	Very low	26.7	Very low	157 Å²	157	144.8 Å²	144.8	69%	0.689	74%	0.743	S	S	*	*	S	Bend	trans	-114	31	-176.8	-73.8	-76.5	0	0	0	115.8	L52 S55	L52-F58 HydrophobicContact CD2-CE2 4.05Å; S55-F58 PolarHBondContact O-N 3.24Å
59	Y	22.9	Very low	26.1	Very low	209 Å²	209	142.6 Å²	142.6	82%	0.82	75%	0.75	S	S	*	*			trans	-124.8	100.4	165.4	-88.9	-83.4	0	0	0	111
60	N	23.2	Very low	25.5	Very low	157 Å²	157	146.9 Å²	146.9	84%	0.84	77%	0.768	S	S	*	*			trans	177.4	66.2	135.5	-92.6	-15.3	0	0	0	110.5
61	I	20.8	Very low	25	Very low	163 Å²	163	145 Å²	145	84%	0.836	77%	0.77	S	S	*	*	S	Bend	trans	-117.8	133.7	152.6	-65.6	175.3	0	0	0	105.4
62	S	22.6	Very low	24.2	Very low	102 Å²	102	142.2 Å²	142.2	71%	0.713	77%	0.765	S	S	*	*			trans	73.2	84.1	-174.1	78.3	0	0	0	0	116.7
63	N	24.8	Very low	23.5	Very low	168 Å²	168	144.1 Å²	144.1	90%	0.898	78%	0.78	S	S	*	*				-141.2	65.7	129.4	-98.2	-14.1	0	0	0	108.7
64	L	19.9	Very low	23	Very low	164 Å²	164	142.5 Å²	142.5	86%	0.859	78%	0.776	S	S	*	*			trans	-113.1	69.8	162.5	-162.5	103.4	0	0	0	107.7
65	T	22.7	Very low	22.5	Very low	117 Å²	117	140.4 Å²	140.4	72%	0.718	77%	0.769	S	S	*	*			trans	180	98.3	154.8	42.5	0	0	0	0	108.9
66	N	24.4	Very low	22.1	Very low	158 Å²	158	146.6 Å²	146.6	85%	0.845	79%	0.79	S	S	*	*				168.9	95.4	125.6	-85.9	-9	0	0	0	109.7
67	N	19.1	Very low	21.9	Very low	149 Å²	149	142.8 Å²	142.8	80%	0.797	78%	0.78	S	S	*	*			trans	-66.8	148.6	143	-86.6	-18	0	0	0	108.8
68	N	22.5	Very low	21.7	Very low	164 Å²	164	141 Å²	141	88%	0.877	77%	0.773	S	S	*	*			trans	97.3	114.7	165.2	-57.4	-13.9	0	0	0	116.6
69	G	21.4	Very low	21.7	Very low	76 Å²	76	139.1 Å²	139.1	78%	0.784	78%	0.775	S	S	*	*			trans	163.8	53.6	163.3	0	0	0	0	0	115.1	T71	G69-T71 PolarHBondContact O-N 3.49Å
70	N	20.6	Very low	21.6	Very low	163 Å²	163	134.5 Å²	134.5	87%	0.872	77%	0.769	S	S	*	*			trans	-54.8	126.1	153.8	-79.4	-21.8	0	0	0	108.6
71	T	20.9	Very low	21.5	Very low	127 Å²	127	133.5 Å²	133.5	78%	0.779	76%	0.762	S	S	*	*			trans	179.9	108.1	139.4	28.1	0	0	0	0	110.7	G69	G69-T71 PolarHBondContact O-N 3.49Å
72	T	19.5	Very low	21.6	Very low	112 Å²	112	132 Å²	132	69%	0.687	76%	0.756	S	S	*	*				47.3	133.2	122.9	52.9	0	0	0	0	121.2
73	T	19.4	Very low	21.6	Very low	114 Å²	114	133.5 Å²	133.5	70%	0.699	76%	0.756	S	S	*	*			trans	91.6	124.2	131.5	46.4	0	0	0	0	120.1
74	T	19.8	Very low	21.4	Very low	112 Å²	112	130.1 Å²	130.1	69%	0.687	75%	0.745	S	S	*	*			trans	81	107	133.4	51.4	0	0	0	0	118.3
75	T	20.4	Very low	21.4	Very low	109 Å²	109	127 Å²	127	67%	0.669	74%	0.737	S	S	*	*				132.5	125.5	92.6	36	0	0	0	0	114.6
76	K	20.5	Very low	21.4	Very low	176 Å²	176	128.7 Å²	128.7	77%	0.765	74%	0.742	S	S	*	*			trans	68.9	113.8	132	-72.6	177.1	179.3	-179.4	0	118.9
77	N	24	Very low	21.3	Very low	127 Å²	127	126.8 Å²	126.8	68%	0.679	74%	0.736	S	S	*	*				173.6	126.3	89.2	-92.9	-29.8	0	0	0	112.6
78	N	22.3	Very low	21.3	Very low	136 Å²	136	125.3 Å²	125.3	73%	0.727	74%	0.737	S	S	*	*				56.3	127.6	130	-56.4	-14.9	0	0	0	118.5
79	T	23.3	Very low	21.2	Very low	119 Å²	119	127.7 Å²	127.7	73%	0.73	74%	0.735	S	S	*	*				-170	133.1	53.8	38.7	0	0	0	0	111.4
80	T	21.3	Very low	21.2	Very low	112 Å²	112	130.1 Å²	130.1	69%	0.687	73%	0.729	S	S	*	*			trans	60.9	118.4	132.7	62.6	0	0	0	0	124.1
81	I	21.6	Very low	21.2	Very low	136 Å²	136	128.8 Å²	128.8	70%	0.697	73%	0.729	S	S	*	*				95.5	114.7	115.8	-68.6	172.5	0	0	0	119.8
82	N	22.5	Very low	21.2	Very low	131 Å²	131	127 Å²	127	70%	0.701	72%	0.721	S	S	*	*			trans	85.4	125.1	140.3	-69.8	-1.2	0	0	0	123.5
83	N	22.4	Very low	21.2	Very low	134 Å²	134	124.8 Å²	124.8	72%	0.717	72%	0.721	S	S	*	*			trans	77.9	103.6	135.9	-70	-0.5	0	0	0	119.6
84	S	20.2	Very low	21.3	Very low	96 Å²	96	124 Å²	124	67%	0.671	72%	0.721	S	S	*	*				40.2	119.3	120.2	62.6	0	0	0	0	118.9
85	S	20.8	Very low	21.3	Very low	100 Å²	100	127.5 Å²	127.5	70%	0.699	73%	0.726	S	S	*	*			trans	53.9	93.6	144.5	61	0	0	0	0	117.5
86	N	22.3	Very low	21.2	Very low	152 Å²	152	133.8 Å²	133.8	81%	0.813	74%	0.739	S	S	*	*				179.2	120.4	101.5	-92.1	-18.5	0	0	0	111.3
87	V	22.2	Very low	21.1	Very low	118 Å²	118	134 Å²	134	72%	0.715	74%	0.743	S	S	*	*			trans	50.1	86.9	153.2	-165.9	0	0	0	0	115.9	Y89	V87-Y89 PolarHBondContact O-N 2.87Å; V87-Y89 VanDerWaalsContact O-N 3.16Å
88	S	20.3	Very low	20.8	Very low	117 Å²	117	133.3 Å²	133.3	82%	0.818	75%	0.747	S	S	*	*			trans	-63.8	108.1	164	52.6	0	0	0	0	110.3
89	Y	20	Very low	20.6	Very low	215 Å²	215	137 Å²	137	84%	0.843	75%	0.752	S	S	*	*			trans	-65.8	127.3	158.9	-92.8	-94.2	0	0	0	110.1	V87	V87-Y89 PolarHBondContact O-N 2.87Å; V87-Y89 VanDerWaalsContact O-N 3.16Å
90	I	20.7	Very low	20.4	Very low	126 Å²	126	139.6 Å²	139.6	65%	0.646	76%	0.756	S	S	*	*			trans	-37.2	146	171	-50	170.2	0	0	0	113.7	S92	I90-S92 PolarHBondContact O-N 3.32Å
91	P	20.7	Very low	20.4	Very low	136 Å²	136	139.4 Å²	139.4	88%	0.883	76%	0.759	S	S	*	*			trans	-74.9	77.8	152.9	32.5	-27.9	0	0	0	108.3	G93	P91-G93 PolarHBondContact O-N 3.35Å
92	S	22	Very low	20.2	Very low	88 Å²	88	140 Å²	140	62%	0.615	76%	0.763	S	S	*	*			trans	-77.6	119.1	172.8	54.5	0	0	0	0	108.5	I90 S94	I90-S92 PolarHBondContact O-N 3.32Å; S92-S94 PolarHBondContact O-N 3Å
93	G	18.8	Very low	20.1	Very low	66 Å²	66	141.2 Å²	141.2	68%	0.68	77%	0.769	S	S	*	*			trans	-52.1	122	150.6	0	0	0	0	0	108.3	P91	P91-G93 PolarHBondContact O-N 3.35Å
94	S	21.4	Very low	20.1	Very low	99 Å²	99	140 Å²	140	69%	0.692	77%	0.77	S	S	*	*			trans	26.2	104.9	144	53	0	0	0	0	115.3	S92	S92-S94 PolarHBondContact O-N 3Å
95	K	19.4	Very low	20.1	Very low	185 Å²	185	142.8 Å²	142.8	80%	0.804	78%	0.778	S	S	*	*				52.4	91.7	94.2	-70	-176.8	175.9	-178.7	0	112.7
96	Y	18.8	Very low	20.2	Very low	240 Å²	240	147.3 Å²	147.3	94%	0.941	79%	0.788	S	S	*	*				-114.3	73.1	122.9	-79.7	-79	0	0	0	107.8
97	E	17.6	Very low	20	Very low	181 Å²	181	149 Å²	149	85%	0.846	79%	0.791	S	S	*	*			trans	-122	85.5	151.4	-79.1	-172.4	173.1	0	0	106.1
98	C	18.5	Very low	20	Very low	113 Å²	113	152.1 Å²	152.1	76%	0.764	80%	0.798	S	S	*	*			trans	-122.9	103.7	157	-91.7	0	0	0	0	105.9
99	Y	18.5	Very low	20.1	Very low	212 Å²	212	153.1 Å²	153.1	83%	0.831	80%	0.798	S	S	*	*			trans	58.3	93.6	161.2	-67.8	-84.6	0	0	0	116.7	S101	Y99-S101 PolarHBondContact O-N 3.13Å
100	H	18.1	Very low	20.2	Very low	175 Å²	175	153.4 Å²	153.4	81%	0.81	80%	0.8	S	S	*	*				-40	98.4	126.2	-120.7	-78.3	0	0	0	109.4
101	S	20.6	Very low	20.3	Very low	107 Å²	107	154.3 Å²	154.3	75%	0.748	81%	0.806	S	S	*	*			trans	-83.2	113.8	144.4	36.9	0	0	0	0	106.8	Y99	Y99-S101 PolarHBondContact O-N 3.13Å
102	L	19.2	Very low	20.2	Very low	148 Å²	148	154.1 Å²	154.1	78%	0.775	80%	0.802	S	S	*	*			trans	-26.8	124.3	171.9	-66.5	84.1	0	0	0	114.5
103	L	20.3	Very low	20.1	Very low	158 Å²	158	157.1 Å²	157.1	83%	0.827	81%	0.811	S	S	*	*				-169.2	133.9	108.6	-97	147.6	0	0	0	111.1
104	S	21.7	Very low	20.1	Very low	107 Å²	107	161.3 Å²	161.3	75%	0.748	82%	0.818	S	S	*	*			trans	71.4	103.6	156.4	49.1	0	0	0	0	119.7
105	N	20.9	Very low	20.1	Very low	155 Å²	155	165.1 Å²	165.1	83%	0.829	83%	0.83	S	S	*	*			trans	-15.1	128.6	133	-66.3	-15	0	0	0	113.7
106	E	21.6	Very low	20.1	Very low	196 Å²	196	165.4 Å²	165.4	92%	0.916	83%	0.831	S	S	*	*				168.3	80.2	129.2	-91	172.5	-168.8	0	0	109.2
107	E	19.5	Very low	20.3	Very low	188 Å²	188	159 Å²	159	88%	0.879	82%	0.821	S	S	*	*			trans	-80.3	124.6	149.1	-80.1	-174.8	158.7	0	0	107.9
108	Q	21.9	Very low	20.5	Very low	183 Å²	183	158.1 Å²	158.1	86%	0.855	82%	0.82	S	S	*	*			trans	142.7	100.5	140.6	-75.6	-173	3.9	0	0	113.6
109	V	22.2	Very low	20.8	Very low	137 Å²	137	158.6 Å²	158.6	83%	0.83	82%	0.822	S	S	*	*			trans	-132.4	105.5	133.5	174.1	0	0	0	0	107.1
110	Y	21.1	Very low	20.8	Very low	222 Å²	222	160.2 Å²	160.2	87%	0.871	83%	0.827	S	S	*	*			trans	-141.8	134.2	134.7	-108.4	-78.8	0	0	0	108.7	T112	Y110-T112 PolarHBondContact O-N 3.06Å
111	N	23.1	Very low	21.1	Very low	145 Å²	145	164 Å²	164	78%	0.775	83%	0.834	S	S	*	*			trans	-33.5	123.1	164.7	-75.1	-39.9	0	0	0	113.6
112	T	19.7	Very low	21.1	Very low	131 Å²	131	168.5 Å²	168.5	80%	0.804	84%	0.84	S	S	*	*				-148.3	128.8	106.7	40.5	0	0	0	0	109.3	Y110	Y110-T112 PolarHBondContact O-N 3.06Å
113	N	19.3	Very low	21.1	Very low	152 Å²	152	171 Å²	171	81%	0.813	85%	0.845	S	S	*	*	S	Bend	trans	33.9	124.1	159.4	-60.7	-16	0	0	0	121.9
114	N	19.1	Very low	21.2	Very low	154 Å²	154	170.9 Å²	170.9	82%	0.824	84%	0.844	S	S	*	*			trans	71.6	95.4	157.7	-68.3	-17	0	0	0	119.4
115	L	21	Very low	21.1	Very low	178 Å²	178	170.8 Å²	170.8	93%	0.932	84%	0.844	S	S	*	*				-171.6	159.7	115.6	-119.2	81.6	0	0	0	111.4
116	K	20.1	Very low	21.3	Very low	192 Å²	192	172.5 Å²	172.5	84%	0.835	84%	0.844	S	S	*	*			trans	-84	160.8	-159	-67.3	166	172.4	174.1	0	115.9
117	S	22.5	Very low	21.2	Very low	105 Å²	105	171.1 Å²	171.1	73%	0.734	84%	0.838	S	S	*	*			trans	67.3	111.8	157.6	52.2	0	0	0	0	119.4
118	I	22.5	Very low	21.3	Very low	162 Å²	162	173.5 Å²	173.5	83%	0.831	84%	0.84	S	S	*	*				68.2	134.7	81.5	-67.6	171.7	0	0	0	113.2
119	P	24.9	Very low	21.2	Very low	124 Å²	124	173.2 Å²	173.2	81%	0.805	84%	0.836	S	S	*	*			cis	-138.7	167.7	32.3	25.5	0.3	0	0	0	120.1
120	R	17.3	Very low	21	Very low	245 Å²	245	171.5 Å²	171.5	93%	0.925	83%	0.83	S	S	*	*			trans	-61.1	142.8	175.7	-66.4	167.3	166.6	162.4	-5.3	115.7
121	R	23.9	Very low	21	Very low	255 Å²	255	169.2 Å²	169.2	96%	0.962	83%	0.831	S	S	*	*			trans	-137.2	146.2	146.9	-98	-176.3	-176.2	168	2.2	111.8
122	K	22.1	Very low	20.7	Very low	202 Å²	202	169.1 Å²	169.1	88%	0.878	83%	0.831	S	S	*	*			trans	-90.3	149	-150.4	-69.4	171	172	176.9	0	114.9
123	F	17.6	Very low	20.6	Very low	200 Å²	200	169 Å²	169	88%	0.877	83%	0.829	S	S	*	*			trans	-42.9	134.8	150.5	-93.3	-99.6	0	0	0	112.9
124	L	22.3	Very low	20.6	Very low	155 Å²	155	170.7 Å²	170.7	81%	0.812	84%	0.835	S	S	*	*			trans	-139.5	96.6	152.9	-85.5	172.4	0	0	0	109.5	K126	L124-K126 PolarHBondContact O-N 3.24Å
125	S	20.3	Very low	20.5	Very low	106 Å²	106	171.8 Å²	171.8	74%	0.741	84%	0.837	S	S	*	*			trans	-63	111.8	156.6	49.7	0	0	0	0	109.3
126	K	25	Very low	20.3	Very low	190 Å²	190	173.1 Å²	173.1	83%	0.826	84%	0.836	S	S	*	*			trans	-91.4	103.1	167.6	-84.6	-178	176.2	178	0	109.1	L124	L124-K126 PolarHBondContact O-N 3.24Å
127	Q	20.3	Very low	20.3	Very low	167 Å²	167	170.1 Å²	170.1	78%	0.78	84%	0.835	S	S	*	*			trans	-63.9	128.4	160.1	-73.8	177.6	-27.7	0	0	109	K129	Q127-K129 PolarHBondContact O-N 3.02Å; Q127-K129 VanDerWaalsContact O-N 3.15Å
128	Y	21.2	Very low	20.1	Very low	238 Å²	238	170.2 Å²	170.2	93%	0.933	84%	0.836	S	S	*	*			trans	-67.5	103	162.5	-82.7	-93.9	0	0	0	108.1
129	K	19.5	Very low	19.9	Very low	178 Å²	178	167.3 Å²	167.3	77%	0.774	83%	0.83	S	S	*	*			trans	-95	138.2	161.7	-98.1	-176.1	176.7	-178.1	0	109.3	Q127	Q127-K129 PolarHBondContact O-N 3.02Å; Q127-K129 VanDerWaalsContact O-N 3.15Å
130	S	18.6	Very low	19.7	Very low	101 Å²	101	169.7 Å²	169.7	71%	0.706	84%	0.835	S	S	*	*			trans	-39.5	132.3	171.9	44	0	0	0	0	113.8	D132	S130-D132 PolarHBondContact O-N 3.47Å
131	I	21	Very low	19.7	Very low	173 Å²	173	163.6 Å²	163.6	89%	0.887	82%	0.824	S	S	*	*			trans	-79.1	100.4	171	-65.8	163.5	0	0	0	106.6
132	D	17.5	Very low	19.5	Very low	144 Å²	144	158.2 Å²	158.2	77%	0.77	82%	0.815	S	S	*	*			trans	-89.1	144.9	163.8	-99.3	-34.1	0	0	0	110.7	S130	S130-D132 PolarHBondContact O-N 3.47Å
133	V	17.5	Very low	19.6	Very low	127 Å²	127	159.7 Å²	159.7	77%	0.77	82%	0.816	S	S	*	*			trans	-54.1	128.4	-177.2	175.8	0	0	0	0	112.4
134	M	18.5	Very low	19.7	Very low	188 Å²	188	157 Å²	157	93%	0.926	81%	0.811	S	S	*	*			trans	-129.7	121.8	153.1	-92.2	-155.4	157.5	0	0	111.7
135	M	17.8	Very low	19.6	Very low	178 Å²	178	156.2 Å²	156.2	88%	0.877	81%	0.808	S	S	*	*			trans	-60	147.4	165.7	-74.4	174.3	151.9	0	0	111.2
136	K	16.9	Very low	19.6	Very low	206 Å²	206	158.5 Å²	158.5	90%	0.896	81%	0.81	S	S	*	*			trans	-46.2	148.8	173.6	-71.3	174.9	173.1	178.5	0	114
137	P	18.9	Very low	19.3	Very low	128 Å²	128	155.8 Å²	155.8	83%	0.831	81%	0.81	S	S	*	*			trans	-118.3	164.6	135.2	31.7	-18.3	0	0	0	112
138	S	18.1	Very low	19.3	Very low	107 Å²	107	155 Å²	155	75%	0.748	81%	0.81	S	S	*	*			trans	-88.1	163.7	-160.4	46.1	0	0	0	0	116.3
139	S	18.1	Very low	19.2	Very low	102 Å²	102	152.9 Å²	152.9	71%	0.713	81%	0.805	S	S	*	*			trans	61.7	111.3	140.9	60.8	0	0	0	0	120.8
140	I	22	Very low	19.1	Very low	174 Å²	174	151.2 Å²	151.2	89%	0.892	81%	0.81	S	S	*	*			trans	-135.4	125.3	145.8	-65.8	177	0	0	0	107.3
141	T	17.6	Very low	19.2	Very low	116 Å²	116	151.4 Å²	151.4	71%	0.712	81%	0.811	S	S	*	*			trans	-97.8	163.7	169.3	42.5	0	0	0	0	110.1
142	D	19	Very low	19.1	Very low	142 Å²	142	150.9 Å²	150.9	76%	0.759	81%	0.81	S	S	*	*			trans	96.6	103.3	169.1	-53	-16.4	0	0	0	117
143	Y	24.3	Very low	19.2	Very low	233 Å²	233	153 Å²	153	91%	0.914	81%	0.812	S	S	*	*				-175.7	137.4	119.3	-108.3	-78	0	0	0	111.1
144	D	19.8	Very low	19.3	Very low	143 Å²	143	152.2 Å²	152.2	77%	0.765	81%	0.813	S	S	*	*			trans	-73.6	161.5	-172.5	-66.4	-52.4	0	0	0	116.2
145	D	19.2	Very low	19.5	Very low	139 Å²	139	150.5 Å²	150.5	74%	0.743	81%	0.813	S	S	*	*			trans	55.5	89.5	148.6	-72.4	-14.1	0	0	0	120.9
146	I	21.9	Very low	19.5	Very low	155 Å²	155	145.9 Å²	145.9	80%	0.795	80%	0.803	S	S	*	*			trans	-137.6	90.2	135.5	-54.6	179.3	0	0	0	109.1	I148	I146-I148 HydrophobicContact CG2-CD1 4.03Å; I146-I148 HydrophobicContact CG2-CG1 3.92Å; I146-I148 PolarHBondContact O-N 3.48Å
147	T	16.9	Very low	19.5	Very low	132 Å²	132	145.8 Å²	145.8	81%	0.81	80%	0.803	S	S	*	*			trans	-83.4	101.7	160.1	50.6	0	0	0	0	109.3
148	I	21.1	Very low	19.6	Very low	152 Å²	152	147.3 Å²	147.3	78%	0.779	80%	0.802	S	S	*	*			trans	-125.1	126.9	162.2	-61.2	178.4	0	0	0	109.2	I146	I146-I148 HydrophobicContact CG2-CD1 4.03Å; I146-I148 HydrophobicContact CG2-CG1 3.92Å; I146-I148 PolarHBondContact O-N 3.48Å
149	K	18.6	Very low	19.6	Very low	192 Å²	192	150 Å²	150	84%	0.835	80%	0.803	S	S	*	*			trans	-60.5	142.6	-162.9	-71.2	168.9	172.7	172.3	0	114.7	S151	K149-S151 PolarHBondContact O-N 3.34Å
150	T	17.7	Very low	19.6	Very low	144 Å²	144	151.3 Å²	151.3	88%	0.883	81%	0.811	S	S	*	*			trans	-57.7	112.8	151.8	48.9	0	0	0	0	111.2
151	S	20.8	Very low	19.4	Very low	104 Å²	104	149 Å²	149	73%	0.727	80%	0.8	S	S	*	*			trans	-167.9	126.7	147.7	58.1	0	0	0	0	111.6	K149 K153	K149-S151 PolarHBondContact O-N 3.34Å; S151-K153 PolarHBondContact O-N 3.05Å
152	N	18.4	Very low	19.5	Very low	163 Å²	163	149.2 Å²	149.2	87%	0.872	80%	0.797	S	S	*	*			trans	-44	124.4	160.3	-70.7	-30.6	0	0	0	111.7
153	K	20.6	Very low	19.5	Very low	187 Å²	187	153.9 Å²	153.9	81%	0.813	81%	0.806	S	S	*	*			trans	-167.3	116.8	149.4	-107.7	168.3	-173	-175.2	0	110.8	S151	S151-K153 PolarHBondContact O-N 3.05Å
154	S	20.2	Very low	19.3	Very low	112 Å²	112	151.6 Å²	151.6	78%	0.783	80%	0.801	S	S	*	*			trans	20	104.6	138.5	54.6	0	0	0	0	116.8
155	V	20.8	Very low	19.2	Very low	151 Å²	151	151.3 Å²	151.3	92%	0.915	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-84	140.2	159.9	175	0	0	0	0	108.7
156	A	19.3	Very low	19.2	Very low	82 Å²	82	152.7 Å²	152.7	68%	0.678	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-71.7	155.5	-157.5	0	0	0	0	0	115.6
157	F	17	Very low	19	Very low	204 Å²	204	150.5 Å²	150.5	90%	0.895	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-50.8	132.9	159.4	-74.1	-98.7	0	0	0	111.1
158	I	20	Very low	19.2	Very low	159 Å²	159	152.3 Å²	152.3	82%	0.815	80%	0.801	S	S	*	*			trans	-115.7	107.8	155.8	-65.8	175	0	0	0	105
159	E	17.3	Very low	19.2	Very low	164 Å²	164	152.4 Å²	152.4	77%	0.766	80%	0.798	S	S	*	*			trans	-61.2	125.6	170.1	-77.1	163.9	141.3	0	0	109.4
160	C	18	Very low	19.2	Very low	129 Å²	129	149 Å²	149	87%	0.872	79%	0.793	S	S	*	*			trans	-103.9	107.4	150.2	-74.4	0	0	0	0	106.7
161	D	18.8	Very low	19.5	Very low	127 Å²	127	149.9 Å²	149.9	68%	0.679	79%	0.791	S	S	*	*			trans	-54.9	144.4	168.7	-86.1	-46.3	0	0	0	112.6
162	N	19	Very low	19.4	Very low	120 Å²	120	152.5 Å²	152.5	64%	0.642	79%	0.791	S	S	*	*			trans	51	96.4	141.9	-63.6	-38.7	0	0	0	118
163	Y	20.1	Very low	19.9	Very low	240 Å²	240	152.3 Å²	152.3	94%	0.941	79%	0.79	S	S	*	*				-123.9	114.3	124.9	-95.4	-84.9	0	0	0	110.3
164	K	19.2	Very low	20	Very low	185 Å²	185	151.9 Å²	151.9	80%	0.804	79%	0.792	S	S	*	*			trans	-62.3	129.9	171.1	-78.9	172.8	171.8	175.3	0	110
165	L	17.9	Very low	20.3	Very low	137 Å²	137	152.7 Å²	152.7	72%	0.717	79%	0.794	S	S	*	*			trans	12.2	113.2	132.6	-145.8	79.5	0	0	0	116.5	T167	L165-T167 HydrophobicContact CD1-CG2 4.2Å; L165-T167 HydrophobicContact CG-CG2 4.28Å
166	D	19.9	Very low	20.5	Very low	168 Å²	168	154.9 Å²	154.9	90%	0.898	79%	0.794	S	S	*	*			trans	-131.5	91.7	137	-90.7	-28.5	0	0	0	108.1
167	T	17.9	Very low	20.8	Very low	109 Å²	109	161.4 Å²	161.4	67%	0.669	80%	0.803	S	S	*	*			trans	-65.6	119.2	150.3	42.7	0	0	0	0	108.5	L165	L165-T167 HydrophobicContact CD1-CG2 4.2Å; L165-T167 HydrophobicContact CG-CG2 4.28Å
168	M	20.3	Very low	21.6	Very low	170 Å²	170	158.4 Å²	158.4	84%	0.837	80%	0.795	S	S	*	*			trans	-122.4	100.3	152.1	-135.6	-164.1	174.8	0	0	109.8
169	E	20.9	Very low	21.9	Very low	153 Å²	153	160.6 Å²	160.6	72%	0.715	80%	0.802	S	S	*	*			trans	37.8	107.4	139.3	-66.1	176.9	155.3	0	0	120
170	T	19.2	Very low	22.6	Very low	120 Å²	120	161.1 Å²	161.1	74%	0.736	81%	0.806	S	S	*	*				2.1	118.6	125.3	50	0	0	0	0	117.9
171	I	23.6	Very low	23.3	Very low	164 Å²	164	163.1 Å²	163.1	84%	0.841	80%	0.8	S	S	*	*			trans	-134.6	108.1	137	-63.4	-176.6	0	0	0	108.7
172	H	19.8	Very low	23.8	Very low	158 Å²	158	164.3 Å²	164.3	73%	0.731	81%	0.806	S	S	*	*			trans	-58.9	140.7	157.2	-89.3	-87.1	0	0	0	110.3
173	N	28	Very low	24.3	Very low	159 Å²	159	167.7 Å²	167.7	85%	0.85	82%	0.815	S	S	*	*			trans	-168.3	91.9	134.7	-90.3	-19.4	0	0	0	109.1
174	E	22.9	Very low	25	Very low	179 Å²	179	162.1 Å²	162.1	84%	0.836	80%	0.8	S	S	*	*			trans	-82.4	136.7	157.2	-81.3	-177.7	148.1	0	0	108.8
175	P	25.6	Very low	25.4	Very low	128 Å²	128	161.3 Å²	161.3	83%	0.831	80%	0.797	S	S	*	*			trans	-81.3	150.2	179.7	30.8	-32	0	0	0	113.8	Y177	P175-Y177 PolarHBondContact O-N 3.03Å
176	E	24.9	Very low	26.1	Very low	198 Å²	198	161.9 Å²	161.9	93%	0.925	80%	0.801	S	S	*	*			trans	-90.8	44.3	-151.5	-145.3	178.3	-159.4	0	0	116.1
177	Y	25.8	Very low	26.8	Very low	218 Å²	218	162.1 Å²	162.1	86%	0.855	79%	0.794	S	S	*	*			trans	-123	101.2	178.7	-130.4	-98.3	0	0	0	111.3	P175	P175-Y177 PolarHBondContact O-N 3.03Å
178	I	35.3	Very low	27.7	Very low	142 Å²	142	161.2 Å²	161.2	73%	0.728	79%	0.788	S	S	*	*	S	Bend	trans	158.8	-1.9	145.2	-77.8	156.4	0	0	0	114.1	M180	I178-M180 PolarHBondContact O-N 3.24Å
179	Q	25.9	Very low	28.2	Very low	205 Å²	205	161.4 Å²	161.4	96%	0.958	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	1.1	170	-83.7	-165.8	9	0	0	115.8
180	M	32.7	Very low	28.7	Very low	174 Å²	174	158.4 Å²	158.4	86%	0.857	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	3.9	179.1	-126.8	-179.6	-164.3	0	0	116.5	I178	I178-M180 PolarHBondContact O-N 3.24Å
181	K	30.8	Very low	29.3	Very low	172 Å²	172	157.9 Å²	157.9	75%	0.748	77%	0.772	S	S	*	*	S	Bend	trans	-94.1	-14	179.5	-141	172.5	-175.8	176.7	0	115.2	K183	K181-K183 VanDerWaalsContact C-N 3.27Å; K181-K183 PolarHBondContact O-N 3.39Å
182	N	29.4	Very low	29.7	Very low	152 Å²	152	156.4 Å²	156.4	81%	0.813	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-0.9	177.6	-84.5	-11	0	0	0	114.9
183	K	30.7	Very low	30.1	Very low	191 Å²	191	155.2 Å²	155.2	83%	0.83	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-9.7	176.2	-117.4	176.6	-178.6	175.7	0	115.4	K181	K181-K183 VanDerWaalsContact C-N 3.27Å; K181-K183 PolarHBondContact O-N 3.39Å
184	I	35.4	Very low	30.2	Very low	122 Å²	122	154.8 Å²	154.8	63%	0.626	76%	0.761	S	S	*	*	S	Bend	trans	-94.3	-6.8	-178.3	-64.8	172.1	0	0	0	112.3	N186	I184-N186 PolarHBondContact O-N 2.97Å
185	K	27.5	Very low	30.5	Very low	168 Å²	168	152.6 Å²	152.6	73%	0.73	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-8.1	-178.2	-147.8	173.9	-177.4	180	0	115.4
186	N	31.8	Very low	30.7	Very low	149 Å²	149	154.9 Å²	154.9	80%	0.797	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.3	4.9	-175.2	-75.8	0.5	0	0	0	115.9	I184	I184-N186 PolarHBondContact O-N 2.97Å
187	K	35.4	Very low	30.8	Very low	173 Å²	173	154.2 Å²	154.2	75%	0.752	76%	0.755	S	S	*	*	S	Bend	trans	-117.9	-4.6	-179.1	-130	178	-177.1	-178.8	0	116.3
188	T	35.1	Very low	30.9	Very low	90 Å²	90	151 Å²	151	55%	0.552	75%	0.753	S	S	*	*	S	Bend	trans	-100.7	-7.6	177.7	44.9	0	0	0	0	114.2
189	K	30.5	Very low	30.3	Very low	175 Å²	175	155.1 Å²	155.1	76%	0.761	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-8.4	179.8	-143.2	178.5	-178.5	-174.1	0	114.7
190	S	31.8	Very low	30.1	Very low	90 Å²	90	150.1 Å²	150.1	63%	0.629	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	-2.9	-178.8	78.6	0	0	0	0	115
191	I	33.4	Very low	29.6	Very low	108 Å²	108	149.9 Å²	149.9	55%	0.554	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	-24.2	-177.6	-62.8	173.8	0	0	0	111.2
192	I	31.5	Very low	29.2	Very low	134 Å²	134	147.3 Å²	147.3	69%	0.687	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-84.5	-22.9	-174.9	-62.4	177.1	0	0	0	112.1	N194	I192-N194 VanDerWaalsContact C-N 3.3Å; I192-N194 PolarHBondContact O-N 3.44Å
193	D	28	Very low	28.8	Very low	133 Å²	133	145.5 Å²	145.5	71%	0.711	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-79.2	-5.6	-178.4	-74.9	-13	0	0	0	114.7
194	N	29.8	Very low	28.3	Very low	150 Å²	150	142 Å²	142	80%	0.802	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-121.1	7.7	-173.8	-93.4	-7.4	0	0	0	116.6	I192	I192-N194 VanDerWaalsContact C-N 3.3Å; I192-N194 PolarHBondContact O-N 3.44Å
195	L	28.2	Very low	27.9	Very low	132 Å²	132	145.9 Å²	145.9	69%	0.691	76%	0.755	S	S	*	*	S	Bend	trans	-123.8	-0.2	-169.3	-90.3	171.3	0	0	0	120
196	L	31	Very low	28.2	Very low	176 Å²	176	143.2 Å²	143.2	92%	0.921	76%	0.756	S	S	*	*			trans	-137.2	39	179	-72.9	172.2	0	0	0	116.2
197	H	26.5	Very low	28	Very low	184 Å²	184	144 Å²	144	85%	0.852	76%	0.759	S	S	*	*			trans	-102.1	94.8	147.4	-99.2	-56.1	0	0	0	109
198	N	27.2	Very low	27.6	Very low	150 Å²	150	143.8 Å²	143.8	80%	0.802	76%	0.763	S	S	*	*			trans	165.1	125.2	136.4	-89	-27.9	0	0	0	113.3
199	R	22.9	Very low	27.4	Very low	229 Å²	229	146.2 Å²	146.2	86%	0.864	77%	0.773	S	S	*	*			trans	30.8	115.7	140.3	-75	-177.4	176.8	177.6	-0.5	119.9
200	S	21.9	Very low	27.4	Very low	100 Å²	100	148.4 Å²	148.4	70%	0.699	78%	0.778	S	S	*	*				33.3	105.4	127.3	63.7	0	0	0	0	118.7
201	L	23.8	Very low	27.4	Very low	169 Å²	169	150.4 Å²	150.4	89%	0.885	78%	0.782	S	S	*	*				-177.2	166.4	117.4	-122.8	80.4	0	0	0	112.1
202	T	22.2	Very low	27.4	Very low	118 Å²	118	152.1 Å²	152.1	72%	0.724	79%	0.791	S	S	*	*			trans	-80.9	156.7	-165.4	46.6	0	0	0	0	117.1
203	C	19.4	Very low	27.4	Very low	115 Å²	115	150.4 Å²	150.4	78%	0.777	79%	0.79	S	S	*	*			trans	94.6	121.1	147.7	-74.1	0	0	0	0	122
204	C	22	Very low	27.8	Very low	116 Å²	116	148 Å²	148	78%	0.784	78%	0.78	S	S	*	*			trans	82.9	106.4	141.9	-66.5	0	0	0	0	121.5
205	K	26.3	Very low	28.2	Very low	204 Å²	204	146.2 Å²	146.2	89%	0.887	77%	0.77	S	S	*	*				167.4	157.7	90	-105.7	-179	-179.1	178.5	0	112.3
206	P	33.3	Very low	28.5	Very low	113 Å²	113	144.7 Å²	144.7	73%	0.734	76%	0.763	S	S	*	*			trans	-107.6	140.2	-168.6	37.7	-26.9	0	0	0	114.2
207	N	27.5	Very low	29	Very low	164 Å²	164	139 Å²	139	88%	0.877	74%	0.737	S	S	*	*			trans	179.2	98.6	144.4	-106.2	-9.2	0	0	0	110
208	M	27.3	Very low	29.7	Very low	169 Å²	169	135.3 Å²	135.3	83%	0.833	72%	0.724	S	S	*	*	S	Bend	trans	-177.7	121.9	143.2	-94.7	-58.7	169.4	0	0	108
209	N	31.9	Very low	30.4	Very low	142 Å²	142	135.1 Å²	135.1	76%	0.759	71%	0.713	S	S	*	*			trans	69.7	85.7	155.4	-58.9	-14.5	0	0	0	118.8	N211	N209-N211 PolarHBondContact O-N 2.95Å; N209-N211 VanDerWaalsContact O-N 3.16Å
210	Y	28.6	Very low	31.4	Very low	221 Å²	221	128.6 Å²	128.6	87%	0.867	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.2	107.9	146.6	-88.6	-99	0	0	0	110.7
211	N	32.9	Very low	32.5	Very low	132 Å²	132	129.7 Å²	129.7	71%	0.706	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	179.5	5.5	145.2	-91.1	-13.3	0	0	0	113.2	N209	N209-N211 PolarHBondContact O-N 2.95Å; N209-N211 VanDerWaalsContact O-N 3.16Å
212	L	32.3	Very low	33.9	Very low	144 Å²	144	123.7 Å²	123.7	75%	0.754	66%	0.663	S	S	*	*	S	Bend	trans	-94.9	-21.2	169.1	-146.8	79.1	0	0	0	113.6	L216	L212-L216 PolarHBondContact O-N 3.38Å
213	C	32.4	Very low	35.7	Very low	97 Å²	97	121.4 Å²	121.4	66%	0.655	65%	0.646	S	S	*	*	H	α-helix	trans	-81.6	-20.6	-174.6	-73.3	0	0	0	0	115	S217	C213-S217 WeakPolarHBondContact O-CB 3.43Å; C213-S217 PolarHBondContact O-N 3.29Å; C213-S217 VanDerWaalsContact O-N 3.09Å
214	T	36.1	Very low	37.9	Very low	82 Å²	82	120 Å²	120	50%	0.503	63%	0.631	S	S	.	*	H	α-helix	trans	-71.9	-42.6	173	45.6	0	0	0	0	110.9	L216 S217 D218	T214-L216 VanDerWaalsContact C-N 3.28Å; T214-L216 PolarHBondContact O-N 3.46Å; T214-S217 PolarHBondContact O-N 3.42Å; T214-D218 PolarHBondContact O-N 3.12Å
215	N	38.7	Very low	40.2	Very low	113 Å²	113	123.2 Å²	123.2	60%	0.604	63%	0.627	S	S	*	*	H	α-helix	trans	-64.7	-30.3	176.2	-76.6	-12.1	0	0	0	113.1	Y219	N215-Y219 VanDerWaalsContact O-CB 3.29Å; N215-Y219 WeakPolarHBondContact O-CB 3.33Å; N215-Y219 PolarHBondContact O-N 3.11Å
216	L	34.4	Very low	42.2	Very low	101 Å²	101	121.1 Å²	121.1	53%	0.529	61%	0.613	S	S	.	*	H	α-helix	trans	-79.1	-35.6	176	-156.5	79.7	0	0	0	112.5	L212 T214 Y219 I220	L212-L216 PolarHBondContact O-N 3.38Å; T214-L216 VanDerWaalsContact C-N 3.28Å; T214-L216 PolarHBondContact O-N 3.46Å; L216-Y219 PolarHBondContact O-N 2.99Å; L216-I220 HydrophobicContact CD2-CD1 4.41Å; L216-I220 HydrophobicContact CG-CD1 4.31Å; L216-I220 WeakPolarHBondContact O-CB 3.49Å; L216-I220 VanDerWaalsContact O-CG1 3.24Å; L216-I220 WeakPolarHBondContact O-CG1 3.29Å; L216-I220 PolarHBondContact O-N 3.47Å
217	S	41.2	Very low	43.9	Very low	55 Å²	55	122 Å²	122	39%	0.385	61%	0.606	S	S	.	*	H	α-helix	trans	-60.4	-46	171.5	171.2	0	0	0	0	111.1	C213 T214 Y219 I220 H221	C213-S217 WeakPolarHBondContact O-CB 3.43Å; C213-S217 PolarHBondContact O-N 3.29Å; C213-S217 VanDerWaalsContact O-N 3.09Å; T214-S217 PolarHBondContact O-N 3.42Å; S217-Y219 VanDerWaalsContact C-N 3.3Å; S217-Y219 PolarHBondContact O-N 3.01Å; S217-I220 PolarHBondContact O-N 3.14Å; S217-H221 PolarHBondContact O-CD2 2.98Å; S217-H221 PolarHBondContact O-N 3.5Å
218	D	41	Very low	46.2	Very low	107 Å²	107	120.5 Å²	120.5	57%	0.572	59%	0.593	S	S	*	*	H	α-helix	trans	-65.5	-34.9	175.9	-71.1	-15	0	0	0	111.7	T214 A222	T214-D218 PolarHBondContact O-N 3.12Å; D218-A222 VanDerWaalsContact O-CB 3.26Å; D218-A222 WeakPolarHBondContact O-CB 3.34Å; D218-A222 PolarHBondContact O-N 3.43Å
219	Y	41.7	Very low	48.7	Very low	146 Å²	146	117.3 Å²	117.3	57%	0.573	58%	0.579	S	S	*	*	H	α-helix	trans	-67.5	-38.4	173.9	-168.7	-99	0	0	0	112.8	N215 L216 S217 A222 N223	N215-Y219 VanDerWaalsContact O-CB 3.29Å; N215-Y219 WeakPolarHBondContact O-CB 3.33Å; N215-Y219 PolarHBondContact O-N 3.11Å; L216-Y219 PolarHBondContact O-N 2.99Å; S217-Y219 VanDerWaalsContact C-N 3.3Å; S217-Y219 PolarHBondContact O-N 3.01Å; Y219-A222 PolarHBondContact O-N 3.06Å; Y219-N223 WeakPolarHBondContact O-CB 3.35Å; Y219-N223 PolarHBondContact O-N 3.34Å
220	I	45.5	Very low	51.1	Low	92 Å²	92	114.4 Å²	114.4	47%	0.472	57%	0.566	S	S	.	*	H	α-helix	trans	-69.8	-41.4	176.7	-69	164.7	0	0	0	110.4	L216 S217 N223 N224	L216-I220 HydrophobicContact CD2-CD1 4.41Å; L216-I220 HydrophobicContact CG-CD1 4.31Å; L216-I220 WeakPolarHBondContact O-CB 3.49Å; L216-I220 VanDerWaalsContact O-CG1 3.24Å; L216-I220 WeakPolarHBondContact O-CG1 3.29Å; L216-I220 PolarHBondContact O-N 3.47Å; S217-I220 PolarHBondContact O-N 3.14Å; I220-N223 PolarHBondContact O-N 2.91Å; I220-N224 PolarHBondContact O-N 3.42Å
221	H	43.9	Very low	53.5	Low	123 Å²	123	109.8 Å²	109.8	57%	0.569	55%	0.554	S	S	*	*	H	α-helix	trans	-65.2	-37.6	173.5	-84.3	-66.5	0	0	0	112.4	S217 N223 N224 R225	S217-H221 PolarHBondContact O-CD2 2.98Å; S217-H221 PolarHBondContact O-N 3.5Å; H221-N223 VanDerWaalsContact C-N 3.32Å; H221-N223 PolarHBondContact O-N 2.93Å; H221-N224 PolarHBondContact O-N 2.91Å; H221-R225 PolarHBondContact O-N 2.88Å
222	A	53.6	Low	56	Low	43 Å²	43	107.6 Å²	107.6	36%	0.355	55%	0.545	S	S	.	.	H	α-helix	trans	-63.9	-36.9	173.2	0	0	0	0	0	112.1	D218 Y219 R225 R226	D218-A222 VanDerWaalsContact O-CB 3.26Å; D218-A222 WeakPolarHBondContact O-CB 3.34Å; D218-A222 PolarHBondContact O-N 3.43Å; Y219-A222 PolarHBondContact O-N 3.06Å; A222-R225 PolarHBondContact O-N 3.42Å; A222-R226 WeakPolarHBondContact O-CG 3.31Å; A222-R226 PolarHBondContact O-N 2.76Å
223	N	60.4	Low	58.5	Low	71 Å²	71	105.6 Å²	105.6	38%	0.38	53%	0.534	S	S	.	.	H	α-helix	trans	-72.4	-36.1	179.7	-150.8	24.6	0	0	0	112.4	Y219 I220 H221 R226 K227	Y219-N223 WeakPolarHBondContact O-CB 3.35Å; Y219-N223 PolarHBondContact O-N 3.34Å; I220-N223 PolarHBondContact O-N 2.91Å; H221-N223 VanDerWaalsContact C-N 3.32Å; H221-N223 PolarHBondContact O-N 2.93Å; N223-R226 PolarHBondContact O-N 3.34Å; N223-K227 PolarHBondContact O-N 3.19Å
224	N	65.9	Low	61	Low	86 Å²	86	104.8 Å²	104.8	46%	0.46	52%	0.522	S	S	.	.	H	α-helix	trans	-68.2	-37.9	172.5	-83.6	-7.6	0	0	0	112.3	I220 H221 K227 Q228	I220-N224 PolarHBondContact O-N 3.42Å; H221-N224 PolarHBondContact O-N 2.91Å; N224-K227 PolarHBondContact O-N 3.02Å; N224-Q228 WeakPolarHBondContact O-CG 3.35Å; N224-Q228 PolarHBondContact O-N 3.4Å
225	R	68.4	Low	63.5	Low	182 Å²	182	105.1 Å²	105.1	69%	0.687	52%	0.524	S	S	*	.	H	α-helix	trans	-63.5	-39.5	170.7	-80.2	-172.2	176.3	178.7	1.1	112.2	H221 A222 Q228 I229	H221-R225 PolarHBondContact O-N 2.88Å; A222-R225 PolarHBondContact O-N 3.42Å; R225-Q228 PolarHBondContact O-N 3.4Å; R225-I229 VanDerWaalsContact O-CG1 3.26Å; R225-I229 WeakPolarHBondContact O-CG1 3.26Å; R225-I229 PolarHBondContact O-N 3.46Å
226	R	69	Low	65.9	Low	161 Å²	161	105 Å²	105	61%	0.608	52%	0.523	S	S	*	.	H	α-helix	trans	-62.4	-42.7	174	-77.4	-179	-176.1	-179.5	2.6	112	A222 N223 I229 V230	A222-R226 WeakPolarHBondContact O-CG 3.31Å; A222-R226 PolarHBondContact O-N 2.76Å; N223-R226 PolarHBondContact O-N 3.34Å; R226-I229 PolarHBondContact O-N 3.12Å; R226-V230 VanDerWaalsContact O-CG2 3.3Å; R226-V230 WeakPolarHBondContact O-CG2 3.35Å; R226-V230 PolarHBondContact O-N 3.41Å
227	K	69.4	Low	68.3	Low	131 Å²	131	103.5 Å²	103.5	57%	0.57	52%	0.52	S	S	*	.	H	α-helix	trans	-61.8	-42.2	174.4	-75.6	-176.9	178.4	-178.8	0	112.1	N223 N224 V230 M231	N223-K227 PolarHBondContact O-N 3.19Å; N224-K227 PolarHBondContact O-N 3.02Å; K227-V230 PolarHBondContact O-N 3.38Å; K227-M231 WeakPolarHBondContact O-CB 3.48Å; K227-M231 VanDerWaalsContact O-CG 3.3Å; K227-M231 WeakPolarHBondContact O-CG 3.33Å; K227-M231 PolarHBondContact O-N 3.2Å
228	Q	76.1	Confident	70.7	Confident	133 Å²	133	105.2 Å²	105.2	62%	0.621	52%	0.524	S	S	*	.	H	α-helix	trans	-63.3	-43.4	175.3	-74.6	177.9	-13.6	0	0	112.1	N224 R225 M231 V232	N224-Q228 WeakPolarHBondContact O-CG 3.35Å; N224-Q228 PolarHBondContact O-N 3.4Å; R225-Q228 PolarHBondContact O-N 3.4Å; Q228-M231 PolarHBondContact O-N 3.04Å; Q228-V232 WeakPolarHBondContact O-CB 3.32Å; Q228-V232 VanDerWaalsContact O-CG2 3.24Å; Q228-V232 WeakPolarHBondContact O-CG2 3.31Å; Q228-V232 PolarHBondContact O-N 3.41Å
229	I	79.8	Confident	73	Confident	102 Å²	102	104.7 Å²	104.7	52%	0.523	52%	0.521	S	S	.	.	H	α-helix	trans	-63.7	-43.3	177.3	-68	164	0	0	0	111.2	R225 R226 V232 I233	R225-I229 VanDerWaalsContact O-CG1 3.26Å; R225-I229 WeakPolarHBondContact O-CG1 3.26Å; R225-I229 PolarHBondContact O-N 3.46Å; R226-I229 PolarHBondContact O-N 3.12Å; I229-V232 PolarHBondContact O-N 2.88Å; I229-I233 HydrophobicContact CG2-CD1 3.87Å; I229-I233 VanDerWaalsContact O-CG1 3.28Å; I229-I233 WeakPolarHBondContact O-CG1 3.35Å; I229-I233 PolarHBondContact O-N 2.95Å
230	V	81.4	Confident	75.3	Confident	80 Å²	80	102.9 Å²	102.9	49%	0.485	52%	0.521	S	S	.	.	H	α-helix	trans	-64.5	-42.3	177.3	172.2	0	0	0	0	111.1	R226 K227 V232 I233 I234	R226-V230 VanDerWaalsContact O-CG2 3.3Å; R226-V230 WeakPolarHBondContact O-CG2 3.35Å; R226-V230 PolarHBondContact O-N 3.41Å; K227-V230 PolarHBondContact O-N 3.38Å; V230-V232 VanDerWaalsContact C-N 3.35Å; V230-V232 PolarHBondContact O-N 3.26Å; V230-I233 PolarHBondContact O-N 3.43Å; V230-I234 HydrophobicContact CG1-CD1 3.81Å; V230-I234 HydrophobicContact CG1-CG1 4.46Å; V230-I234 VanDerWaalsContact O-CG1 3.3Å; V230-I234 WeakPolarHBondContact O-CG1 3.26Å; V230-I234 PolarHBondContact O-N 2.86Å
231	M	80.1	Confident	77.5	Confident	125 Å²	125	103.5 Å²	103.5	62%	0.616	52%	0.524	S	S	*	.	H	α-helix	trans	-63.1	-40.3	174.9	-72.2	-64	-109.9	0	0	111.9	K227 Q228 I233 I234 V235	K227-M231 WeakPolarHBondContact O-CB 3.48Å; K227-M231 VanDerWaalsContact O-CG 3.3Å; K227-M231 WeakPolarHBondContact O-CG 3.33Å; K227-M231 PolarHBondContact O-N 3.2Å; Q228-M231 PolarHBondContact O-N 3.04Å; M231-I233 PolarHBondContact O-N 2.88Å; M231-I234 PolarHBondContact O-N 3.16Å; M231-V235 WeakPolarHBondContact O-CB 3.33Å; M231-V235 VanDerWaalsContact O-CG2 3.24Å; M231-V235 WeakPolarHBondContact O-CG2 3.42Å; M231-V235 PolarHBondContact O-N 3.41Å
232	V	85.7	Confident	79.7	Confident	86 Å²	86	101.7 Å²	101.7	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-63.6	-40.1	175.1	170	0	0	0	0	111.5	Q228 I229 V230 V235 L236	Q228-V232 WeakPolarHBondContact O-CB 3.32Å; Q228-V232 VanDerWaalsContact O-CG2 3.24Å; Q228-V232 WeakPolarHBondContact O-CG2 3.31Å; Q228-V232 PolarHBondContact O-N 3.41Å; I229-V232 PolarHBondContact O-N 2.88Å; V230-V232 VanDerWaalsContact C-N 3.35Å; V230-V232 PolarHBondContact O-N 3.26Å; V232-V235 PolarHBondContact O-N 2.71Å; V232-L236 HydrophobicContact CG1-CD1 3.98Å; V232-L236 WeakPolarHBondContact O-CB 3.2Å; V232-L236 PolarHBondContact O-N 3.13Å
233	I	83.6	Confident	81.4	Confident	102 Å²	102	104 Å²	104	52%	0.523	52%	0.523	S	S	.	.	H	α-helix	trans	-64.9	-42.6	175.9	-68.9	165.5	0	0	0	111.1	I229 V230 M231 L236 S237	I229-I233 HydrophobicContact CG2-CD1 3.87Å; I229-I233 VanDerWaalsContact O-CG1 3.28Å; I229-I233 WeakPolarHBondContact O-CG1 3.35Å; I229-I233 PolarHBondContact O-N 2.95Å; V230-I233 PolarHBondContact O-N 3.43Å; M231-I233 PolarHBondContact O-N 2.88Å; I233-L236 PolarHBondContact O-N 3.23Å; I233-S237 PolarHBondContact O-N 3.33Å; I233-S237 PolarHBondContact O-OG 3.43Å
234	I	86.1	Confident	82.9	Confident	79 Å²	79	104.8 Å²	104.8	41%	0.405	53%	0.527	S	S	.	.	H	α-helix	trans	-65.5	-40.6	177.2	-68.1	167	0	0	0	110.8	V230 M231 S237 I238	V230-I234 HydrophobicContact CG1-CD1 3.81Å; V230-I234 HydrophobicContact CG1-CG1 4.46Å; V230-I234 VanDerWaalsContact O-CG1 3.3Å; V230-I234 WeakPolarHBondContact O-CG1 3.26Å; V230-I234 PolarHBondContact O-N 2.86Å; M231-I234 PolarHBondContact O-N 3.16Å; I234-S237 WeakPolarHBondContact CA-OG 3.36Å; I234-S237 PolarHBondContact O-N 3.5Å; I234-S237 PolarHBondContact O-OG 3.22Å; I234-I238 HydrophobicContact CG2-CD1 3.83Å; I234-I238 WeakPolarHBondContact O-CD1 3.47Å; I234-I238 VanDerWaalsContact O-CG1 3.25Å; I234-I238 WeakPolarHBondContact O-CG1 3.49Å; I234-I238 PolarHBondContact O-N 2.58Å
235	V	88.2	Confident	84	Confident	89 Å²	89	105.1 Å²	105.1	54%	0.539	53%	0.527	S	S	.	.	H	α-helix	trans	-65.5	-42.2	176	171.6	0	0	0	0	110.8	M231 V232 I238 L239	M231-V235 WeakPolarHBondContact O-CB 3.33Å; M231-V235 VanDerWaalsContact O-CG2 3.24Å; M231-V235 WeakPolarHBondContact O-CG2 3.42Å; M231-V235 PolarHBondContact O-N 3.41Å; V232-V235 PolarHBondContact O-N 2.71Å; V235-I238 PolarHBondContact O-N 3.29Å; V235-L239 VanDerWaalsContact O-CB 3.32Å; V235-L239 WeakPolarHBondContact O-CB 3.25Å; V235-L239 PolarHBondContact O-N 3.19Å
236	L	87.9	Confident	85	Confident	112 Å²	112	100.9 Å²	100.9	59%	0.586	52%	0.518	S	S	*	.	H	α-helix	trans	-63.2	-40	175.7	-96.4	154.1	0	0	0	112.7	V232 I233 L239 L240	V232-L236 HydrophobicContact CG1-CD1 3.98Å; V232-L236 WeakPolarHBondContact O-CB 3.2Å; V232-L236 PolarHBondContact O-N 3.13Å; I233-L236 PolarHBondContact O-N 3.23Å; L236-L239 PolarHBondContact O-N 3.3Å; L236-L240 WeakPolarHBondContact O-CB 3.39Å; L236-L240 PolarHBondContact O-N 3.24Å
237	S	86.4	Confident	85.8	Confident	68 Å²	68	96.2 Å²	96.2	48%	0.476	51%	0.507	S	S	.	.	H	α-helix	trans	-69.1	-38.4	178.3	63.2	0	0	0	0	112.3	I233 I234 L240 L241	I233-S237 PolarHBondContact O-N 3.33Å; I233-S237 PolarHBondContact O-OG 3.43Å; I234-S237 WeakPolarHBondContact CA-OG 3.36Å; I234-S237 PolarHBondContact O-N 3.5Å; I234-S237 PolarHBondContact O-OG 3.22Å; S237-L240 PolarHBondContact O-N 2.87Å; S237-L241 PolarHBondContact O-N 3.16Å
238	I	90	Very high	86.4	Confident	92 Å²	92	95.2 Å²	95.2	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-65.1	-43.2	173.8	-68	166.5	0	0	0	110.7	I234 V235 L240 L241 I242	I234-I238 HydrophobicContact CG2-CD1 3.83Å; I234-I238 WeakPolarHBondContact O-CD1 3.47Å; I234-I238 VanDerWaalsContact O-CG1 3.25Å; I234-I238 WeakPolarHBondContact O-CG1 3.49Å; I234-I238 PolarHBondContact O-N 2.58Å; V235-I238 PolarHBondContact O-N 3.29Å; I238-L240 VanDerWaalsContact C-N 3.33Å; I238-L240 PolarHBondContact O-N 3.5Å; I238-L241 WeakPolarHBondContact O-CB 3.24Å; I238-L241 PolarHBondContact O-N 3.36Å; I238-I242 HydrophobicContact CG2-CD1 3.95Å; I238-I242 WeakPolarHBondContact O-CG1 3.47Å; I238-I242 PolarHBondContact O-N 3.28Å
239	L	89.2	Confident	86.9	Confident	96 Å²	96	92.8 Å²	92.8	50%	0.503	50%	0.5	S	S	.	.	H	α-helix	trans	-66	-37.7	-179.6	-154.7	146.7	0	0	0	111.5	V235 L236 I242 I243	V235-L239 VanDerWaalsContact O-CB 3.32Å; V235-L239 WeakPolarHBondContact O-CB 3.25Å; V235-L239 PolarHBondContact O-N 3.19Å; L236-L239 PolarHBondContact O-N 3.3Å; L239-I242 PolarHBondContact O-N 2.87Å; L239-I243 HydrophobicContact CD2-CD1 3.75Å; L239-I243 HydrophobicContact CD2-CG1 4.45Å; L239-I243 WeakPolarHBondContact O-CG1 3.41Å; L239-I243 PolarHBondContact O-N 3.48Å
240	L	90.4	Very high	87	Confident	108 Å²	108	92.4 Å²	92.4	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-67	-38.5	174.1	-165.7	137.8	0	0	0	112.2	L236 S237 I238 I243 I244	L236-L240 WeakPolarHBondContact O-CB 3.39Å; L236-L240 PolarHBondContact O-N 3.24Å; S237-L240 PolarHBondContact O-N 2.87Å; I238-L240 VanDerWaalsContact C-N 3.33Å; I238-L240 PolarHBondContact O-N 3.5Å; L240-I243 PolarHBondContact O-N 3.32Å; L240-I244 HydrophobicContact CD2-CD1 3.65Å; L240-I244 HydrophobicContact CD2-CG1 4.47Å; L240-I244 WeakPolarHBondContact O-CG1 2.98Å; L240-I244 PolarHBondContact O-N 2.83Å
241	L	91.8	Very high	86.9	Confident	105 Å²	105	93.3 Å²	93.3	55%	0.55	50%	0.5	S	S	.	.	H	α-helix	trans	-63.8	-41.7	173.9	-169.1	112.6	0	0	0	111.8	S237 I238 I243 I244 I245	S237-L241 PolarHBondContact O-N 3.16Å; I238-L241 WeakPolarHBondContact O-CB 3.24Å; I238-L241 PolarHBondContact O-N 3.36Å; L241-I243 VanDerWaalsContact C-N 3.35Å; L241-I243 PolarHBondContact O-N 3.2Å; L241-I244 PolarHBondContact O-N 3.45Å; L241-I245 HydrophobicContact CD2-CD1 3.8Å; L241-I245 HydrophobicContact CG-CD1 4.25Å; L241-I245 WeakPolarHBondContact O-CG1 3.25Å; L241-I245 PolarHBondContact O-N 3.33Å
242	I	90.1	Very high	86.8	Confident	85 Å²	85	95 Å²	95	44%	0.436	50%	0.5	S	S	.	.	H	α-helix	trans	-62.1	-42.1	175.6	-68.8	166.3	0	0	0	110.9	I238 L239 I244 I245 I246	I238-I242 HydrophobicContact CG2-CD1 3.95Å; I238-I242 WeakPolarHBondContact O-CG1 3.47Å; I238-I242 PolarHBondContact O-N 3.28Å; L239-I242 PolarHBondContact O-N 2.87Å; I242-I244 VanDerWaalsContact C-N 3.34Å; I242-I244 PolarHBondContact O-N 2.97Å; I242-I245 PolarHBondContact O-N 3.13Å; I242-I246 HydrophobicContact CG2-CD1 3.75Å; I242-I246 HydrophobicContact CG2-CG1 4.37Å; I242-I246 VanDerWaalsContact O-CG1 3.31Å; I242-I246 WeakPolarHBondContact O-CG1 3.25Å; I242-I246 PolarHBondContact O-N 3.36Å
243	I	90.4	Very high	85.8	Confident	90 Å²	90	98.4 Å²	98.4	46%	0.462	51%	0.508	S	S	.	.	H	α-helix	trans	-62.2	-41.3	175.6	-68.8	166.7	0	0	0	111.1	L239 L240 L241 I245 I246 T247	L239-I243 HydrophobicContact CD2-CD1 3.75Å; L239-I243 HydrophobicContact CD2-CG1 4.45Å; L239-I243 WeakPolarHBondContact O-CG1 3.41Å; L239-I243 PolarHBondContact O-N 3.48Å; L240-I243 PolarHBondContact O-N 3.32Å; L241-I243 VanDerWaalsContact C-N 3.35Å; L241-I243 PolarHBondContact O-N 3.2Å; I243-I245 VanDerWaalsContact C-N 3.34Å; I243-I245 PolarHBondContact O-N 3.43Å; I243-I246 PolarHBondContact O-N 3.12Å; I243-T247 HydrophobicContact CG2-CG2 4.46Å; I243-T247 WeakPolarHBondContact O-CB 3.4Å; I243-T247 WeakPolarHBondContact O-CG2 3.12Å; I243-T247 PolarHBondContact O-N 3.38Å; I243-T247 PolarHBondContact O-OG1 3.3Å
244	I	90.3	Very high	84.9	Confident	88 Å²	88	99.2 Å²	99.2	45%	0.451	51%	0.512	S	S	.	.	H	α-helix	trans	-62.7	-41.9	175.6	-68.5	168.1	0	0	0	110.9	L240 L241 I242 T247 M248	L240-I244 HydrophobicContact CD2-CD1 3.65Å; L240-I244 HydrophobicContact CD2-CG1 4.47Å; L240-I244 WeakPolarHBondContact O-CG1 2.98Å; L240-I244 PolarHBondContact O-N 2.83Å; L241-I244 PolarHBondContact O-N 3.45Å; I242-I244 VanDerWaalsContact C-N 3.34Å; I242-I244 PolarHBondContact O-N 2.97Å; I244-T247 WeakPolarHBondContact CA-OG1 3.46Å; I244-T247 PolarHBondContact O-N 3.32Å; I244-T247 PolarHBondContact O-OG1 3.26Å; I244-M248 HydrophobicContact CG2-CG 4.46Å; I244-M248 WeakPolarHBondContact O-CB 3.33Å; I244-M248 VanDerWaalsContact O-CG 3.23Å; I244-M248 WeakPolarHBondContact O-CG 3.43Å; I244-M248 PolarHBondContact O-N 3.49Å
245	I	89.9	Confident	83.7	Confident	93 Å²	93	103.5 Å²	103.5	48%	0.477	53%	0.525	S	S	.	.	H	α-helix	trans	-66.1	-44.4	178	-67.2	165.7	0	0	0	110.9	L241 I242 I243 T247 M248 V249	L241-I245 HydrophobicContact CD2-CD1 3.8Å; L241-I245 HydrophobicContact CG-CD1 4.25Å; L241-I245 WeakPolarHBondContact O-CG1 3.25Å; L241-I245 PolarHBondContact O-N 3.33Å; I242-I245 PolarHBondContact O-N 3.13Å; I243-I245 VanDerWaalsContact C-N 3.34Å; I243-I245 PolarHBondContact O-N 3.43Å; I245-T247 PolarHBondContact O-N 2.94Å; I245-M248 PolarHBondContact O-N 3.26Å; I245-V249 HydrophobicContact CG2-CG2 4.49Å; I245-V249 WeakPolarHBondContact O-CG2 3.45Å; I245-V249 PolarHBondContact O-N 3.31Å
246	I	88.4	Confident	81.6	Confident	94 Å²	94	103.9 Å²	103.9	48%	0.482	52%	0.524	S	S	.	.	H	α-helix	trans	-62	-43.8	177.7	-68.7	168.2	0	0	0	110.7	I242 I243 M248 V249 I250	I242-I246 HydrophobicContact CG2-CD1 3.75Å; I242-I246 HydrophobicContact CG2-CG1 4.37Å; I242-I246 VanDerWaalsContact O-CG1 3.31Å; I242-I246 WeakPolarHBondContact O-CG1 3.25Å; I242-I246 PolarHBondContact O-N 3.36Å; I243-I246 PolarHBondContact O-N 3.12Å; I246-M248 PolarHBondContact O-N 2.93Å; I246-V249 PolarHBondContact O-N 2.9Å; I246-I250 HydrophobicContact CG2-CD1 3.76Å; I246-I250 HydrophobicContact CG2-CG1 4.43Å; I246-I250 VanDerWaalsContact O-CG1 3.29Å; I246-I250 WeakPolarHBondContact O-CG1 3.43Å; I246-I250 PolarHBondContact O-N 3.36Å
247	T	86	Confident	79.4	Confident	62 Å²	62	106.8 Å²	106.8	38%	0.38	54%	0.535	S	S	.	.	H	α-helix	trans	-64.5	-39	177.1	49.7	0	0	0	0	112.1	I243 I244 I245 I250 L251	I243-T247 HydrophobicContact CG2-CG2 4.46Å; I243-T247 WeakPolarHBondContact O-CB 3.4Å; I243-T247 WeakPolarHBondContact O-CG2 3.12Å; I243-T247 PolarHBondContact O-N 3.38Å; I243-T247 PolarHBondContact O-OG1 3.3Å; I244-T247 WeakPolarHBondContact CA-OG1 3.46Å; I244-T247 PolarHBondContact O-N 3.32Å; I244-T247 PolarHBondContact O-OG1 3.26Å; I245-T247 PolarHBondContact O-N 2.94Å; T247-I250 PolarHBondContact O-N 2.93Å; T247-L251 WeakPolarHBondContact O-CB 3.44Å; T247-L251 PolarHBondContact O-N 3.43Å
248	M	83	Confident	77.1	Confident	110 Å²	110	107.7 Å²	107.7	54%	0.542	54%	0.541	S	S	.	.	H	α-helix	trans	-62.5	-41.4	172.5	-73.4	-74.1	101.1	0	0	112.6	I244 I245 I246 L251 Y252	I244-M248 HydrophobicContact CG2-CG 4.46Å; I244-M248 WeakPolarHBondContact O-CB 3.33Å; I244-M248 VanDerWaalsContact O-CG 3.23Å; I244-M248 WeakPolarHBondContact O-CG 3.43Å; I244-M248 PolarHBondContact O-N 3.49Å; I245-M248 PolarHBondContact O-N 3.26Å; I246-M248 PolarHBondContact O-N 2.93Å; M248-L251 HydrophobicContact CE-CD1 3.7Å; M248-L251 PolarHBondContact O-N 3.48Å; M248-Y252 WeakPolarHBondContact O-CB 3.41Å; M248-Y252 PolarHBondContact O-N 3.11Å
249	V	86.2	Confident	74.4	Confident	83 Å²	83	107.1 Å²	107.1	50%	0.503	55%	0.545	S	S	.	.	H	α-helix	trans	-67.6	-38.9	177.2	172.2	0	0	0	0	111.6	I245 I246 Y252 K253	I245-V249 HydrophobicContact CG2-CG2 4.49Å; I245-V249 WeakPolarHBondContact O-CG2 3.45Å; I245-V249 PolarHBondContact O-N 3.31Å; I246-V249 PolarHBondContact O-N 2.9Å; V249-Y252 PolarHBondContact O-N 3.49Å; V249-K253 PolarHBondContact O-N 3.43Å
250	I	82.6	Confident	71.3	Confident	93 Å²	93	108.3 Å²	108.3	48%	0.477	56%	0.556	S	S	.	*	H	α-helix	trans	-65.1	-43.3	174.6	-68.4	167.5	0	0	0	110.5	I246 T247 Y252 K253 L254	I246-I250 HydrophobicContact CG2-CD1 3.76Å; I246-I250 HydrophobicContact CG2-CG1 4.43Å; I246-I250 VanDerWaalsContact O-CG1 3.29Å; I246-I250 WeakPolarHBondContact O-CG1 3.43Å; I246-I250 PolarHBondContact O-N 3.36Å; T247-I250 PolarHBondContact O-N 2.93Å; I250-Y252 VanDerWaalsContact C-N 3.34Å; I250-Y252 PolarHBondContact O-N 3.3Å; I250-K253 PolarHBondContact O-N 3.49Å; I250-L254 HydrophobicContact CG2-CD1 3.92Å; I250-L254 WeakPolarHBondContact O-CB 3.44Å; I250-L254 PolarHBondContact O-N 2.89Å
251	L	77.5	Confident	68.2	Low	100 Å²	100	109.4 Å²	109.4	52%	0.524	57%	0.567	S	S	.	*	H	α-helix	trans	-61.2	-41.5	174	-94.2	147.6	0	0	0	111.8	T247 M248 L254 Y255	T247-L251 WeakPolarHBondContact O-CB 3.44Å; T247-L251 PolarHBondContact O-N 3.43Å; M248-L251 HydrophobicContact CE-CD1 3.7Å; M248-L251 PolarHBondContact O-N 3.48Å; L251-L254 PolarHBondContact O-N 2.85Å; L251-Y255 WeakPolarHBondContact O-CB 3.41Å; L251-Y255 PolarHBondContact O-N 3.17Å
252	Y	78.3	Confident	64.9	Low	159 Å²	159	108.6 Å²	108.6	62%	0.624	57%	0.571	S	S	*	*	H	α-helix	trans	-65.4	-43.4	178.3	-165.3	-87	0	0	0	111.8	M248 V249 I250 L254 Y255 D256	M248-Y252 WeakPolarHBondContact O-CB 3.41Å; M248-Y252 PolarHBondContact O-N 3.11Å; V249-Y252 PolarHBondContact O-N 3.49Å; I250-Y252 VanDerWaalsContact C-N 3.34Å; I250-Y252 PolarHBondContact O-N 3.3Å; Y252-L254 PolarHBondContact O-N 2.89Å; Y252-Y255 WeakPolarHBondContact O-CB 3.39Å; Y252-Y255 PolarHBondContact O-N 3.21Å; Y252-Y255 VanDerWaalsContact O-N 3.12Å; Y252-D256 WeakPolarHBondContact CE1-OD2 3.35Å; Y252-D256 PolarHBondContact O-N 2.97Å
253	K	66.1	Low	61.8	Low	159 Å²	159	116 Å²	116	69%	0.691	60%	0.595	S	S	*	*	H	α-helix	trans	-64.1	-38.8	174.6	-91.4	-166.7	171.7	-170.5	0	113.2	V249 I250 Y255	V249-K253 PolarHBondContact O-N 3.43Å; I250-K253 PolarHBondContact O-N 3.49Å; K253-Y255 PolarHBondContact O-N 3.48Å
254	L	64.6	Low	58.4	Low	118 Å²	118	116.6 Å²	116.6	62%	0.618	61%	0.607	S	S	*	*	H	α-helix	trans	-66.6	-28.1	173.7	-84.7	157.6	0	0	0	112.2	I250 L251 Y252	I250-L254 HydrophobicContact CG2-CD1 3.92Å; I250-L254 WeakPolarHBondContact O-CB 3.44Å; I250-L254 PolarHBondContact O-N 2.89Å; L251-L254 PolarHBondContact O-N 2.85Å; Y252-L254 PolarHBondContact O-N 2.89Å
255	Y	60.5	Low	55.3	Low	170 Å²	170	120.7 Å²	120.7	67%	0.667	63%	0.629	S	S	*	*	H	α-helix	trans	-76.8	-39.4	179	-143.9	-96.6	0	0	0	112.2	L251 Y252 K253 E257 S258	L251-Y255 WeakPolarHBondContact O-CB 3.41Å; L251-Y255 PolarHBondContact O-N 3.17Å; Y252-Y255 WeakPolarHBondContact O-CB 3.39Å; Y252-Y255 PolarHBondContact O-N 3.21Å; Y252-Y255 VanDerWaalsContact O-N 3.12Å; K253-Y255 PolarHBondContact O-N 3.48Å; Y255-E257 VanDerWaalsContact C-N 3.33Å; Y255-E257 PolarHBondContact O-N 2.7Å; Y255-S258 PolarHBondContact O-N 2.98Å; Y255-S258 PolarHBondContact O-OG 3.25Å
256	D	43.1	Very low	52	Low	97 Å²	97	121.5 Å²	121.5	52%	0.519	64%	0.643	S	S	.	*	H	α-helix	trans	-67.3	-27.5	-177.3	-106.1	-8.2	0	0	0	113.7	Y252 S258	Y252-D256 WeakPolarHBondContact CE1-OD2 3.35Å; Y252-D256 PolarHBondContact O-N 2.97Å; D256-S258 VanDerWaalsContact C-N 3.27Å; D256-S258 PolarHBondContact O-N 3.44Å
257	E	42.6	Very low	49.2	Very low	173 Å²	173	122.9 Å²	122.9	81%	0.808	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-9.8	176.5	-78	-173.4	168.5	0	0	114	Y255	Y255-E257 VanDerWaalsContact C-N 3.33Å; Y255-E257 PolarHBondContact O-N 2.7Å
258	S	37.1	Very low	46.3	Very low	86 Å²	86	126.8 Å²	126.8	60%	0.601	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	2.2	-173.9	68.7	0	0	0	0	115.8	Y255 D256	Y255-S258 PolarHBondContact O-N 2.98Å; Y255-S258 PolarHBondContact O-OG 3.25Å; D256-S258 VanDerWaalsContact C-N 3.27Å; D256-S258 PolarHBondContact O-N 3.44Å
259	S	34.1	Very low	43.4	Very low	81 Å²	81	126.8 Å²	126.8	57%	0.566	69%	0.693	S	S	*	*			trans	-126.3	55.4	-178.1	63.3	0	0	0	0	114.1
260	T	24.3	Very low	40.1	Very low	120 Å²	120	128 Å²	128	74%	0.736	71%	0.705	S	S	*	*			trans	-110.9	99.7	157.9	48.3	0	0	0	0	108.9
261	T	25.6	Very low	37.3	Very low	131 Å²	131	128.9 Å²	128.9	80%	0.804	72%	0.717	S	S	*	*			trans	-168.8	108.7	154.2	15.3	0	0	0	0	111.3
262	S	22.5	Very low	34.6	Very low	89 Å²	89	130 Å²	130	62%	0.622	73%	0.728	S	S	*	*			trans	52	102.9	140.7	62.5	0	0	0	0	119.4
263	Y	24.2	Very low	31.8	Very low	240 Å²	240	127.4 Å²	127.4	94%	0.941	73%	0.733	S	S	*	*				-146.8	91.2	125.2	-88.5	-74.6	0	0	0	108.6
264	S	19.1	Very low	29.8	Very low	103 Å²	103	125.4 Å²	125.4	72%	0.72	74%	0.739	S	S	*	*			trans	-104.4	122.5	163.4	48.2	0	0	0	0	108
265	L	24.4	Very low	28.6	Very low	174 Å²	174	125 Å²	125	91%	0.911	74%	0.744	S	S	*	*			trans	-140.4	105.3	154.7	-97.9	128.1	0	0	0	107.3
266	S	21.3	Very low	26.6	Very low	110 Å²	110	122.8 Å²	122.8	77%	0.769	75%	0.748	S	S	*	*			trans	-86.2	170.1	-177.4	51.4	0	0	0	0	111.5
267	P	30.2	Very low	25.6	Very low	122 Å²	122	125.4 Å²	125.4	79%	0.792	76%	0.761	S	S	*	*			trans	-99	157.5	-138.3	37.9	-36	0	0	0	114.1
268	T	24.8	Very low	24.5	Very low	144 Å²	144	122 Å²	122	88%	0.883	76%	0.756	S	S	*	*			trans	-122.5	139.5	161.1	44.5	0	0	0	0	110
269	S	22.1	Very low	23.8	Very low	111 Å²	111	123.1 Å²	123.1	78%	0.776	76%	0.764	S	S	*	*			trans	-73.1	146.7	-169.5	42.9	0	0	0	0	114.6
270	S	17	Very low	23.3	Very low	109 Å²	109	124.6 Å²	124.6	76%	0.762	78%	0.775	S	S	*	*			trans	-46.8	148.6	153.4	51.1	0	0	0	0	113.4
271	P	24	Very low	23.1	Very low	111 Å²	111	123.4 Å²	123.4	72%	0.721	78%	0.777	S	S	*	*				-145.6	145.5	96.8	38.3	-22.1	0	0	0	115.9
272	T	20.4	Very low	23	Very low	123 Å²	123	122.5 Å²	122.5	76%	0.755	78%	0.776	S	S	*	*			trans	39.5	122.5	138.6	62.6	0	0	0	0	123.2
273	S	20.4	Very low	22.9	Very low	104 Å²	104	123.9 Å²	123.9	73%	0.727	79%	0.785	S	S	*	*				76	124.5	127.8	65.1	0	0	0	0	123
274	S	22.7	Very low	22.9	Very low	117 Å²	117	120.9 Å²	120.9	82%	0.818	79%	0.785	S	S	*	*			trans	117.7	148.6	133.4	78.2	0	0	0	0	117.2
275	P	39.8	Very low	22.8	Very low	110 Å²	110	127.3 Å²	127.3	71%	0.714	79%	0.793	S	S	*	*			trans	-123	-176	-140.4	34.2	-15.1	0	0	0	115.6
276	T	19.5	Very low	22.8	Very low	124 Å²	124	127.1 Å²	127.1	76%	0.761	79%	0.792	S	S	*	*			trans	99.6	133.3	155	68	0	0	0	0	121
277	L	21.4	Very low	22.9	Very low	152 Å²	152	127.1 Å²	127.1	80%	0.796	79%	0.792	S	S	*	*			trans	76.1	112.2	147.8	-97.9	82.9	0	0	0	122.7
278	S	20	Very low	22.4	Very low	100 Å²	100	126.7 Å²	126.7	70%	0.699	79%	0.792	S	S	*	*			trans	51.7	117.8	130.3	62.8	0	0	0	0	121.7
279	S	22.5	Very low	22.3	Very low	111 Å²	111	129 Å²	129	78%	0.776	79%	0.793	S	S	*	*				161.9	134.6	107.5	53.2	0	0	0	0	114.2
280	S	21.9	Very low	22.7	Very low	112 Å²	112	132.1 Å²	132.1	78%	0.783	80%	0.8	S	S	*	*			trans	45.2	116.8	147.5	52.9	0	0	0	0	124.2
281	A	20.7	Very low	22.8	Very low	94 Å²	94	135.5 Å²	135.5	78%	0.777	81%	0.809	S	S	*	*			trans	0.3	132.7	135.3	0	0	0	0	0	120.9
282	S	23.2	Very low	22.6	Very low	112 Å²	112	135.2 Å²	135.2	78%	0.783	81%	0.809	S	S	*	*				170.3	132.5	97.6	47	0	0	0	0	114.3
283	S	20.9	Very low	22.8	Very low	118 Å²	118	138 Å²	138	83%	0.825	82%	0.818	S	S	*	*			trans	16.3	126.3	150.7	57.5	0	0	0	0	122.6
284	L	23.5	Very low	23	Very low	178 Å²	178	142 Å²	142	93%	0.932	83%	0.826	S	S	*	*			trans	-114.9	131.8	156.8	-90	154.9	0	0	0	110.7
285	R	18.6	Very low	23	Very low	237 Å²	237	141.8 Å²	141.8	89%	0.894	82%	0.822	S	S	*	*			trans	-84.3	151	173.9	-78.6	172.9	167.1	165.3	-5.6	111.4
286	L	23.6	Very low	22.2	Very low	171 Å²	171	144.4 Å²	144.4	90%	0.895	83%	0.829	S	S	*	*			trans	-172.6	139.5	150.8	-91.2	135.5	0	0	0	105.7
287	S	23	Very low	22.3	Very low	109 Å²	109	147.2 Å²	147.2	76%	0.762	83%	0.833	S	S	*	*			cis	-170.6	141.6	-16.4	35.3	0	0	0	0	104.9
288	S	20.4	Very low	22.4	Very low	114 Å²	114	144.9 Å²	144.9	80%	0.797	83%	0.829	S	S	*	*			trans	-95.2	126.3	176.8	49.6	0	0	0	0	110.8
289	E	23.4	Very low	22.6	Very low	193 Å²	193	146.3 Å²	146.3	90%	0.902	83%	0.834	S	S	*	*			trans	-175.1	102.5	156.2	-110.4	169.7	-161.1	0	0	109.9
290	L	29	Very low	22.6	Very low	176 Å²	176	149.3 Å²	149.3	92%	0.921	84%	0.84	S	S	*	*			trans	176.2	81.3	132.1	-144.9	78.5	0	0	0	109.4
291	L	19.2	Very low	22.7	Very low	180 Å²	180	149.7 Å²	149.7	94%	0.942	84%	0.843	S	S	*	*			trans	-126.4	104.5	169.8	-107.4	158.5	0	0	0	106.6
292	S	21.3	Very low	22.8	Very low	104 Å²	104	150.4 Å²	150.4	73%	0.727	84%	0.842	S	S	*	*			trans	-168.9	103.8	158.4	59.4	0	0	0	0	110.5
293	L	23.6	Very low	22.8	Very low	182 Å²	182	153.6 Å²	153.6	95%	0.953	85%	0.849	S	S	*	*			trans	-160.8	110.9	141.2	-123.7	82.9	0	0	0	107
294	E	23.9	Very low	22.9	Very low	189 Å²	189	155.7 Å²	155.7	88%	0.883	85%	0.851	S	S	*	*			trans	-71.8	156.2	-173.7	-85	175.9	139.6	0	0	114.5
295	P	23.9	Very low	22.8	Very low	112 Å²	112	158.4 Å²	158.4	73%	0.727	85%	0.849	S	S	*	*			trans	-89	125.1	179.8	34	-29.7	0	0	0	112.9	H297	P295-H297 PolarHBondContact O-N 3.21Å; P295-H297 VanDerWaalsContact O-N 3.16Å
296	L	22.9	Very low	23	Very low	165 Å²	165	154 Å²	154	86%	0.864	84%	0.842	S	S	*	*			trans	-77.2	90.5	170.7	-88.4	150.9	0	0	0	110.8
297	H	21.5	Very low	22.8	Very low	183 Å²	183	152.1 Å²	152.1	85%	0.847	84%	0.84	S	S	*	*			trans	-116.7	67.6	169.9	-110.2	-65.2	0	0	0	110.4	P295	P295-H297 PolarHBondContact O-N 3.21Å; P295-H297 VanDerWaalsContact O-N 3.16Å
298	S	23.4	Very low	22.8	Very low	103 Å²	103	152.7 Å²	152.7	72%	0.72	84%	0.839	S	S	*	*	S	Bend	trans	-169.8	53.8	161.7	65.4	0	0	0	0	114.1
299	T	24.4	Very low	22.8	Very low	130 Å²	130	158 Å²	158	80%	0.798	84%	0.843	S	S	*	*			trans	-146	52.3	158.2	55.7	0	0	0	0	110.1
300	L	22.3	Very low	22.6	Very low	174 Å²	174	156.1 Å²	156.1	91%	0.911	84%	0.839	S	S	*	*			trans	-131.7	55.5	178.6	-141.3	91.5	0	0	0	111
301	S	23.8	Very low	22.3	Very low	119 Å²	119	156.4 Å²	156.4	83%	0.832	84%	0.836	S	S	*	*	S	Bend	trans	-157.3	41.3	168.9	57.6	0	0	0	0	113.9
302	S	22.4	Very low	22.5	Very low	109 Å²	109	156.9 Å²	156.9	76%	0.762	83%	0.833	S	S	*	*	S	Bend	trans	-169	68.5	154.1	63.2	0	0	0	0	113
303	L	23	Very low	22.4	Very low	180 Å²	180	160.4 Å²	160.4	94%	0.942	84%	0.843	S	S	*	*			trans	-150.9	54.5	160	-102.7	126.3	0	0	0	110.6
304	N	23.1	Very low	22.3	Very low	161 Å²	161	158.7 Å²	158.7	86%	0.861	84%	0.835	S	S	*	*			trans	-103	96.2	155.3	-98.9	-13.3	0	0	0	107.2
305	R	22.7	Very low	22.1	Very low	235 Å²	235	156.4 Å²	156.4	89%	0.887	83%	0.827	S	S	*	*			trans	171.8	104.1	140.6	-95.2	172.7	-142	-163.6	5.8	111.2
306	I	22.2	Very low	21.9	Very low	145 Å²	145	155.7 Å²	155.7	74%	0.744	83%	0.825	S	S	*	*				13.6	117.5	129.9	-55.3	164.8	0	0	0	114.9	T308	I306-T308 PolarHBondContact O-N 3.29Å
307	P	20.5	Very low	21.8	Very low	131 Å²	131	156.9 Å²	156.9	85%	0.851	82%	0.823	S	S	*	*			trans	-83.4	107.4	169.4	31.3	-27.2	0	0	0	110.1
308	T	22.8	Very low	21.7	Very low	122 Å²	122	154.3 Å²	154.3	75%	0.748	82%	0.82	S	S	*	*			trans	-89.6	131.6	159.6	43.6	0	0	0	0	109.7	I306 N310	I306-T308 PolarHBondContact O-N 3.29Å; T308-N310 PolarHBondContact O-N 3.29Å; T308-N310 VanDerWaalsContact O-N 3.11Å
309	Y	19	Very low	21.6	Very low	226 Å²	226	156.6 Å²	156.6	89%	0.886	82%	0.823	S	S	*	*	S	Bend	trans	-22	101.7	158.7	-120.1	-105.6	0	0	0	114.5
310	N	20.5	Very low	21.4	Very low	153 Å²	153	154.6 Å²	154.6	82%	0.818	81%	0.814	S	S	*	*			trans	-170.4	144	130.4	-97.4	-15.3	0	0	0	109.3	T308	T308-N310 PolarHBondContact O-N 3.29Å; T308-N310 VanDerWaalsContact O-N 3.11Å
311	Q	22.3	Very low	21.2	Very low	182 Å²	182	152.2 Å²	152.2	85%	0.85	81%	0.808	S	S	*	*			trans	-71.6	158.3	-159.5	-68.5	163.5	-28	0	0	113.9
312	Q	22	Very low	21.1	Very low	190 Å²	190	153.6 Å²	153.6	89%	0.888	81%	0.806	S	S	*	*			trans	78.8	84.7	168.7	-62.9	175.3	-24.5	0	0	116.9
313	L	20.3	Very low	21	Very low	178 Å²	178	156.6 Å²	156.6	93%	0.932	81%	0.807	S	S	*	*			trans	-134.3	90.2	155.4	-105.1	149.1	0	0	0	109.3
314	N	21.5	Very low	20.8	Very low	145 Å²	145	152.3 Å²	152.3	78%	0.775	79%	0.792	S	S	*	*			trans	-97.7	127.9	162.8	-96.1	-14.6	0	0	0	108.7
315	I	19.9	Very low	20.7	Very low	141 Å²	141	151.7 Å²	151.7	72%	0.723	79%	0.789	S	S	*	*			trans	69.2	101	136.1	-53.4	167.4	0	0	0	119.4
316	S	19.7	Very low	20.6	Very low	98 Å²	98	145.2 Å²	145.2	69%	0.685	78%	0.78	S	S	*	*			trans	69.5	150	134.5	79.5	0	0	0	0	123.1
317	K	21.2	Very low	20.5	Very low	190 Å²	190	144.9 Å²	144.9	83%	0.826	78%	0.78	S	S	*	*			trans	87.7	111.1	170.3	-63.3	176.7	177.8	176.2	0	115.1
318	V	19.5	Very low	20.6	Very low	129 Å²	129	145.3 Å²	145.3	78%	0.782	78%	0.775	S	S	*	*				67.7	120.3	72.3	177.5	0	0	0	0	112.5
319	L	20.6	Very low	20.5	Very low	151 Å²	151	144.6 Å²	144.6	79%	0.791	78%	0.775	S	S	*	*			trans	88.1	116.8	162.8	-108.7	80.4	0	0	0	120.2
320	S	19.7	Very low	20.6	Very low	87 Å²	87	139.8 Å²	139.8	61%	0.608	77%	0.774	S	S	*	*			trans	50.4	127.1	130.3	59.8	0	0	0	0	122.9
321	T	19	Very low	20.7	Very low	125 Å²	125	137.3 Å²	137.3	77%	0.767	77%	0.769	S	S	*	*			trans	75.7	119.3	141.4	55.1	0	0	0	0	122.6
322	N	20.3	Very low	20.6	Very low	148 Å²	148	136.6 Å²	136.6	79%	0.791	77%	0.771	S	S	*	*			trans	67.4	140.1	140.2	-70.3	-3.5	0	0	0	124.5
323	H	20.5	Very low	20.6	Very low	171 Å²	171	135 Å²	135	79%	0.792	77%	0.769	S	S	*	*			trans	83.1	117.1	151.2	-85.9	-63	0	0	0	123.2
324	S	19.6	Very low	20.7	Very low	91 Å²	91	132.5 Å²	132.5	64%	0.636	77%	0.766	S	S	*	*				60.3	135.2	129.9	67.6	0	0	0	0	124.2
325	N	20.3	Very low	20.6	Very low	147 Å²	147	130.9 Å²	130.9	79%	0.786	77%	0.766	S	S	*	*			trans	84.4	124.1	131.7	-77.5	-0.7	0	0	0	123.2
326	S	20.6	Very low	20.8	Very low	99 Å²	99	131.9 Å²	131.9	69%	0.692	77%	0.771	S	S	*	*				96.6	126.8	122.6	73.3	0	0	0	0	122.6
327	N	21.2	Very low	20.8	Very low	139 Å²	139	132.5 Å²	132.5	74%	0.743	78%	0.775	S	S	*	*			trans	83.5	122.6	130.2	-68.1	-0.2	0	0	0	124.6
328	N	22.2	Very low	20.8	Very low	139 Å²	139	131.3 Å²	131.3	74%	0.743	78%	0.776	S	S	*	*				83.5	122.7	126.1	-71.3	-2.9	0	0	0	125.2
329	S	20.7	Very low	20.9	Very low	107 Å²	107	129.7 Å²	129.7	75%	0.748	77%	0.771	S	S	*	*			trans	62.6	122.4	132.3	67	0	0	0	0	123.5
330	S	21.4	Very low	20.9	Very low	125 Å²	125	130 Å²	130	87%	0.874	77%	0.772	S	S	*	*				153.7	152.9	111.5	58	0	0	0	0	114
331	S	21	Very low	21.1	Very low	102 Å²	102	130.4 Å²	130.4	71%	0.713	77%	0.774	S	S	*	*			trans	-92.8	155.1	-172	48.8	0	0	0	0	114.9
332	N	22.1	Very low	21.3	Very low	167 Å²	167	129.9 Å²	129.9	89%	0.893	78%	0.776	S	S	*	*			trans	-178.5	148.9	137	-96.8	-15.5	0	0	0	116.3
333	N	20.3	Very low	21.6	Very low	157 Å²	157	129.3 Å²	129.3	84%	0.84	77%	0.771	S	S	*	*			trans	-78.1	157	176.6	-72	-36.7	0	0	0	114.7
334	S	22.9	Very low	21.7	Very low	125 Å²	125	129.4 Å²	129.4	87%	0.874	78%	0.777	S	S	*	*			trans	173.6	147.4	130.1	48	0	0	0	0	114.4
335	S	19.5	Very low	22.1	Very low	110 Å²	110	131.7 Å²	131.7	77%	0.769	78%	0.778	S	S	*	*			trans	-96	142.6	-176.5	49.5	0	0	0	0	113.5
336	I	23.5	Very low	22.3	Very low	162 Å²	162	134.3 Å²	134.3	83%	0.831	78%	0.782	S	S	*	*			trans	-143.4	124.2	157.7	-62.3	-177.4	0	0	0	111.4	I338	I336-I338 HydrophobicContact CG2-CG1 4.29Å
337	S	19.6	Very low	22.5	Very low	112 Å²	112	135.6 Å²	135.6	78%	0.783	79%	0.79	S	S	*	*			trans	-88.4	139.2	170.2	50.9	0	0	0	0	112.1
338	I	22.1	Very low	22.7	Very low	164 Å²	164	137.1 Å²	137.1	84%	0.841	79%	0.79	S	S	*	*			trans	-137.7	135.6	165.5	-61.8	178.9	0	0	0	110.2	I336	I336-I338 HydrophobicContact CG2-CG1 4.29Å
339	S	22.2	Very low	22.8	Very low	96 Å²	96	137 Å²	137	67%	0.671	80%	0.795	S	S	*	*			trans	-104.6	168.3	179.9	50.5	0	0	0	0	112.1
340	I	20.8	Very low	23.2	Very low	158 Å²	158	138.8 Å²	138.8	81%	0.81	79%	0.791	S	S	*	*			trans	102.4	141.4	157.5	-55	166.8	0	0	0	117.2
341	S	22.4	Very low	23.6	Very low	95 Å²	95	142.7 Å²	142.7	66%	0.664	79%	0.793	S	S	*	*			trans	-58.1	162.7	-165.9	48.5	0	0	0	0	119.6
342	S	24	Very low	24.1	Very low	113 Å²	113	144.1 Å²	144.1	79%	0.79	79%	0.786	S	S	*	*			trans	59.6	83.2	157.2	62.7	0	0	0	0	116.8
343	I	26.7	Very low	24.7	Very low	137 Å²	137	140.7 Å²	140.7	70%	0.703	77%	0.774	S	S	*	*			trans	-103.7	105.7	152.4	-66.5	173.2	0	0	0	106.9	Q345	I343-Q345 VanDerWaalsContact C-N 3.28Å; I343-Q345 HydrophobicContact CG2-CB 4.06Å; I343-Q345 HydrophobicContact CG2-CG 3.57Å; I343-Q345 PolarHBondContact O-N 3.3Å
344	D	23.4	Very low	25.3	Very low	172 Å²	172	139.3 Å²	139.3	92%	0.92	77%	0.766	S	S	*	*			trans	-52.9	95.1	153.8	-86	-34.1	0	0	0	108.4
345	Q	28	Very low	25.9	Very low	140 Å²	140	137.5 Å²	137.5	65%	0.654	75%	0.747	S	S	*	*			trans	-116.9	91.2	165.9	-99.6	174.5	17.6	0	0	108.1	I343 C347	I343-Q345 VanDerWaalsContact C-N 3.28Å; I343-Q345 HydrophobicContact CG2-CB 4.06Å; I343-Q345 HydrophobicContact CG2-CG 3.57Å; I343-Q345 PolarHBondContact O-N 3.3Å; Q345-C347 PolarHBondContact O-N 3.12Å; Q345-C347 VanDerWaalsContact O-N 3.09Å
346	K	24.3	Very low	27	Very low	201 Å²	201	138.2 Å²	138.2	87%	0.874	74%	0.741	S	S	*	*			trans	-19.1	112.8	149.9	-74	176	174.9	177.1	0	109.3	K348	K346-K348 PolarHBondContact O-N 2.9Å
347	C	24.5	Very low	27.8	Very low	127 Å²	127	133 Å²	133	86%	0.858	72%	0.718	S	S	*	*			trans	-39.2	98.1	-179.5	-75.6	0	0	0	0	110.6	Q345 T349	Q345-C347 PolarHBondContact O-N 3.12Å; Q345-C347 VanDerWaalsContact O-N 3.09Å; C347-T349 PolarHBondContact O-N 3.3Å
348	K	24	Very low	28.7	Very low	170 Å²	170	129.7 Å²	129.7	74%	0.739	70%	0.695	S	S	*	*			trans	-60.4	113.7	162.6	-84.6	179.7	176.9	174.1	0	104.6	K346 Q350	K346-K348 PolarHBondContact O-N 2.9Å; K348-Q350 VanDerWaalsContact C-N 3.32Å; K348-Q350 PolarHBondContact O-N 2.56Å
349	T	25.3	Very low	29.7	Very low	136 Å²	136	126.3 Å²	126.3	83%	0.834	68%	0.678	S	S	*	*			trans	-30.6	90.9	172.4	50.3	0	0	0	0	111	C347 K351	C347-T349 PolarHBondContact O-N 3.3Å; T349-K351 PolarHBondContact O-N 3.09Å
350	Q	28.1	Very low	30.7	Very low	146 Å²	146	127.5 Å²	127.5	68%	0.682	67%	0.673	S	S	*	*			trans	-66.1	122.1	168.7	-87.5	175.7	-22.4	0	0	105.1	K348 F352	K348-Q350 VanDerWaalsContact C-N 3.32Å; K348-Q350 PolarHBondContact O-N 2.56Å; Q350-F352 PolarHBondContact O-N 3Å
351	K	30.6	Very low	31.7	Very low	207 Å²	207	123.5 Å²	123.5	90%	0.9	65%	0.652	S	S	*	*			trans	-53.1	111.4	175	-73.7	178.6	175.3	178.6	0	107.7	T349 C353	T349-K351 PolarHBondContact O-N 3.09Å; K351-C353 PolarHBondContact O-N 3.12Å
352	F	32.8	Very low	32.6	Very low	132 Å²	132	119.6 Å²	119.6	58%	0.579	63%	0.626	S	S	*	*			trans	-58.8	119.8	174.2	-79.6	-90.9	0	0	0	109.1	Q350 L354	Q350-F352 PolarHBondContact O-N 3Å; F352-L354 PolarHBondContact O-N 3.38Å
353	C	34.2	Very low	33.6	Very low	94 Å²	94	117.6 Å²	117.6	64%	0.635	61%	0.612	S	S	*	*			trans	-81.7	95.2	176	-161.6	0	0	0	0	109.3	K351 N355	K351-C353 PolarHBondContact O-N 3.12Å; C353-N355 PolarHBondContact O-N 2.89Å; C353-N355 VanDerWaalsContact O-N 3.1Å
354	L	31.6	Very low	34.5	Very low	128 Å²	128	114.6 Å²	114.6	67%	0.67	60%	0.596	S	S	*	*			trans	-81.2	51.4	171.6	-81	157.4	0	0	0	111.2	F352 L359	F352-L354 PolarHBondContact O-N 3.38Å; L354-L359 HydrophobicContact CD2-CD1 4.39Å
355	N	36.4	Very low	35.5	Very low	88 Å²	88	107.3 Å²	107.3	47%	0.471	56%	0.557	S	S	.	*			trans	-77.1	144.1	172	-164.7	-7.5	0	0	0	110.4	C353 S357 C358 L359	C353-N355 PolarHBondContact O-N 2.89Å; C353-N355 VanDerWaalsContact O-N 3.1Å; N355-S357 VanDerWaalsContact CG-OG 3.27Å; N355-S357 PolarHBondContact ND2-OG 2.77Å; N355-S357 PolarHBondContact O-N 3.02Å; N355-C358 WeakPolarHBondContact O-CB 3.42Å; N355-C358 PolarHBondContact O-N 2.98Å; N355-L359 PolarHBondContact O-N 2.86Å
356	I	42.3	Very low	36.3	Very low	125 Å²	125	102.2 Å²	102.2	64%	0.641	54%	0.539	S	S	*	.	H	α-helix	trans	-52.3	-35.4	176.8	-87.2	161.7	0	0	0	112	L359 Q360	I356-L359 PolarHBondContact O-N 3.29Å; I356-Q360 PolarHBondContact O-N 3.23Å
357	S	39.6	Very low	37.4	Very low	52 Å²	52	98.1 Å²	98.1	36%	0.364	52%	0.523	S	S	.	.	H	α-helix	trans	-62.7	-42.5	175.2	43.5	0	0	0	0	112.6	N355 L359 I361	N355-S357 VanDerWaalsContact CG-OG 3.27Å; N355-S357 PolarHBondContact ND2-OG 2.77Å; N355-S357 PolarHBondContact O-N 3.02Å; S357-L359 VanDerWaalsContact C-N 3.33Å; S357-L359 PolarHBondContact O-N 2.95Å; S357-I361 WeakPolarHBondContact O-CB 3.27Å; S357-I361 WeakPolarHBondContact O-CD1 3.42Å; S357-I361 WeakPolarHBondContact O-CG1 3.49Å; S357-I361 PolarHBondContact O-N 2.99Å
358	C	40.3	Very low	38.3	Very low	42 Å²	42	98.4 Å²	98.4	28%	0.284	51%	0.506	S	S	.	.	H	α-helix	trans	-63.9	-38.4	174.6	-80.4	0	0	0	0	112.1	N355 A362	N355-C358 WeakPolarHBondContact O-CB 3.42Å; N355-C358 PolarHBondContact O-N 2.98Å; C358-A362 VanDerWaalsContact O-CB 3.24Å; C358-A362 WeakPolarHBondContact O-CB 3.3Å; C358-A362 PolarHBondContact O-N 3.09Å
359	L	41.6	Very low	39.3	Very low	94 Å²	94	93.3 Å²	93.3	49%	0.492	49%	0.487	S	S	.	.	H	α-helix	trans	-70.5	-41.4	-179.9	-119	148.4	0	0	0	112.2	L354 N355 I356 S357 S363	L354-L359 HydrophobicContact CD2-CD1 4.39Å; N355-L359 PolarHBondContact O-N 2.86Å; I356-L359 PolarHBondContact O-N 3.29Å; S357-L359 VanDerWaalsContact C-N 3.33Å; S357-L359 PolarHBondContact O-N 2.95Å; L359-S363 PolarHBondContact O-N 3.49Å
360	Q	43.3	Very low	40.3	Very low	121 Å²	121	87.3 Å²	87.3	57%	0.565	45%	0.452	S	S	*	.	H	α-helix	trans	-63.2	-45.9	172.8	-82.9	-178.9	-25.1	0	0	111.6	I356 A362 S363 I364	I356-Q360 PolarHBondContact O-N 3.23Å; Q360-A362 PolarHBondContact O-N 2.72Å; Q360-S363 PolarHBondContact O-N 2.92Å; Q360-S363 VanDerWaalsContact O-N 3.16Å; Q360-S363 PolarHBondContact O-OG 3.38Å; Q360-I364 WeakPolarHBondContact O-CG1 3.3Å; Q360-I364 PolarHBondContact O-N 3.25Å
361	I	41.7	Very low	41.1	Very low	73 Å²	73	89.5 Å²	89.5	37%	0.374	45%	0.454	S	S	.	.	H	α-helix	trans	-65	-41.6	179.9	-66.3	165.2	0	0	0	110.8	S357 S363 I364 L365 F455	S357-I361 WeakPolarHBondContact O-CB 3.27Å; S357-I361 WeakPolarHBondContact O-CD1 3.42Å; S357-I361 WeakPolarHBondContact O-CG1 3.49Å; S357-I361 PolarHBondContact O-N 2.99Å; I361-S363 VanDerWaalsContact C-N 3.28Å; I361-S363 PolarHBondContact O-N 3.26Å; I361-I364 PolarHBondContact O-N 2.97Å; I361-L365 WeakPolarHBondContact O-CB 3.24Å; I361-L365 PolarHBondContact O-N 3.36Å; I361-F455 HydrophobicContact CG2-CD2 4.49Å; I361-F455 HydrophobicContact CG2-CE1 4.12Å; I361-F455 HydrophobicContact CG2-CE2 3.75Å; I361-F455 HydrophobicContact CG2-CZ 3.54Å
362	A	41.8	Very low	41.7	Very low	14 Å²	14	84.4 Å²	84.4	12%	0.116	43%	0.43	C	S	.	.	H	α-helix	trans	-58.3	-39.2	173.9	0	0	0	0	0	112.3	C358 Q360 L365 A366 L451	C358-A362 VanDerWaalsContact O-CB 3.24Å; C358-A362 WeakPolarHBondContact O-CB 3.3Å; C358-A362 PolarHBondContact O-N 3.09Å; Q360-A362 PolarHBondContact O-N 2.72Å; A362-L365 WeakPolarHBondContact O-CB 3.49Å; A362-L365 PolarHBondContact O-N 3.12Å; A362-A366 PolarHBondContact O-N 3.45Å; A362-L451 HydrophobicContact CB-CD2 3.75Å; A362-L451 WeakPolarHBondContact O-CD2 3.29Å
363	S	45.3	Very low	42.3	Very low	70 Å²	70	83.2 Å²	83.2	49%	0.49	43%	0.429	S	S	.	.	H	α-helix	trans	-67.3	-41.2	176.4	78.6	0	0	0	0	112.6	L359 Q360 I361 L365 A366 E367	L359-S363 PolarHBondContact O-N 3.49Å; Q360-S363 PolarHBondContact O-N 2.92Å; Q360-S363 VanDerWaalsContact O-N 3.16Å; Q360-S363 PolarHBondContact O-OG 3.38Å; I361-S363 VanDerWaalsContact C-N 3.28Å; I361-S363 PolarHBondContact O-N 3.26Å; S363-L365 VanDerWaalsContact C-N 3.29Å; S363-L365 PolarHBondContact O-N 3.19Å; S363-A366 PolarHBondContact O-N 2.99Å; S363-E367 PolarHBondContact O-N 3.32Å
364	I	46.1	Very low	42.8	Very low	74 Å²	74	86.4 Å²	86.4	38%	0.379	43%	0.428	S	S	.	.	H	α-helix	trans	-63.7	-39.1	174.3	-66.3	165.4	0	0	0	110	Q360 I361 E367 R368	Q360-I364 WeakPolarHBondContact O-CG1 3.3Å; Q360-I364 PolarHBondContact O-N 3.25Å; I361-I364 PolarHBondContact O-N 2.97Å; I364-E367 PolarHBondContact O-N 2.94Å; I364-R368 HydrophobicContact CG2-CG 4.19Å; I364-R368 VanDerWaalsContact O-CB 3.31Å; I364-R368 WeakPolarHBondContact O-CB 3.46Å; I364-R368 VanDerWaalsContact O-CG 3.29Å; I364-R368 WeakPolarHBondContact O-CG 3.46Å; I364-R368 PolarHBondContact O-N 2.91Å
365	L	43.1	Very low	43.3	Very low	20 Å²	20	83.4 Å²	83.4	11%	0.105	42%	0.416	C	S	.	.	H	α-helix	trans	-63	-44.5	177.7	-134.7	155.1	0	0	0	111.3	I361 A362 S363 R368 L369 F455	I361-L365 WeakPolarHBondContact O-CB 3.24Å; I361-L365 PolarHBondContact O-N 3.36Å; A362-L365 WeakPolarHBondContact O-CB 3.49Å; A362-L365 PolarHBondContact O-N 3.12Å; S363-L365 VanDerWaalsContact C-N 3.29Å; S363-L365 PolarHBondContact O-N 3.19Å; L365-R368 PolarHBondContact O-N 3.31Å; L365-L369 HydrophobicContact CD2-CD1 3.44Å; L365-L369 VanDerWaalsContact CD2-CD1 3.44Å; L365-L369 HydrophobicContact CD2-CG 3.99Å; L365-L369 WeakPolarHBondContact O-CB 3.37Å; L365-L369 WeakPolarHBondContact O-CG 3.4Å; L365-L369 PolarHBondContact O-N 2.96Å; L365-F455 HydrophobicContact CD1-CD2 3.33Å; L365-F455 HydrophobicContact CD1-CE2 3.76Å; L365-F455 HydrophobicContact CD1-CG 4.35Å
366	A	46.5	Very low	43.7	Very low	32 Å²	32	87.4 Å²	87.4	26%	0.264	43%	0.43	S	S	.	.	H	α-helix	trans	-64.4	-41.9	176	0	0	0	0	0	112.2	A362 S363 G370	A362-A366 PolarHBondContact O-N 3.45Å; S363-A366 PolarHBondContact O-N 2.99Å; A366-G370 PolarHBondContact O-N 2.92Å
367	E	46	Very low	43.9	Very low	116 Å²	116	82.5 Å²	82.5	54%	0.542	40%	0.404	S	S	.	.	H	α-helix	trans	-66.1	-43.9	177.6	-163.6	-168.6	157.3	0	0	111.9	S363 I364 G370 R371	S363-E367 PolarHBondContact O-N 3.32Å; I364-E367 PolarHBondContact O-N 2.94Å; E367-G370 PolarHBondContact O-N 3.33Å; E367-R371 IonicContact OE1-CZ 2.81Å; E367-R371 IonicContact OE1-NH2 2.99Å; E367-R371 PolarHBondContact OE1-NH2 3.06Å
368	R	43.1	Very low	44.3	Very low	132 Å²	132	81.9 Å²	81.9	50%	0.498	40%	0.397	S	S	.	.	H	α-helix	trans	-73.4	-38.8	-176.9	-71.8	-174.9	176.8	-169.4	-6.2	112.9	I364 L365 G370 R371 F398	I364-R368 HydrophobicContact CG2-CG 4.19Å; I364-R368 VanDerWaalsContact O-CB 3.31Å; I364-R368 WeakPolarHBondContact O-CB 3.46Å; I364-R368 VanDerWaalsContact O-CG 3.29Å; I364-R368 WeakPolarHBondContact O-CG 3.46Å; I364-R368 PolarHBondContact O-N 2.91Å; L365-R368 PolarHBondContact O-N 3.31Å; R368-G370 VanDerWaalsContact C-N 3.27Å; R368-G370 PolarHBondContact O-N 2.94Å; R368-R371 PolarHBondContact O-N 3.45Å; R368-R371 VanDerWaalsContact O-N 3.17Å; R368-F398 HydrophobicContact CB-CE1 4.47Å
369	L	45.6	Very low	44.5	Very low	64 Å²	64	81.6 Å²	81.6	34%	0.335	39%	0.394	S	S	.	.	H	α-helix	trans	-63.8	-33.3	174.7	-79.6	173.1	0	0	0	112.4	L365 R371 Y372 I378 L424	L365-L369 HydrophobicContact CD2-CD1 3.44Å; L365-L369 VanDerWaalsContact CD2-CD1 3.44Å; L365-L369 HydrophobicContact CD2-CG 3.99Å; L365-L369 WeakPolarHBondContact O-CB 3.37Å; L365-L369 WeakPolarHBondContact O-CG 3.4Å; L365-L369 PolarHBondContact O-N 2.96Å; L369-R371 PolarHBondContact O-N 3.06Å; L369-Y372 PolarHBondContact O-N 3.46Å; L369-I378 HydrophobicContact CD2-CD1 4.43Å; L369-L424 WeakPolarHBondContact O-CD2 3.21Å
370	G	46.5	Very low	44.7	Very low	10 Å²	10	79.6 Å²	79.6	10%	0.103	38%	0.383	C	S	.	.	H	α-helix	trans	-55.6	-34.9	174.6	0	0	0	0	0	112.5	A366 E367 R368 Y372 L421	A366-G370 PolarHBondContact O-N 2.92Å; E367-G370 PolarHBondContact O-N 3.33Å; R368-G370 VanDerWaalsContact C-N 3.27Å; R368-G370 PolarHBondContact O-N 2.94Å; G370-Y372 VanDerWaalsContact C-N 3.32Å; G370-Y372 PolarHBondContact O-N 3.32Å; G370-L421 WeakPolarHBondContact O-CD1 3.02Å
371	R	44.2	Very low	44.8	Very low	192 Å²	192	76 Å²	76	73%	0.725	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-4	-172.9	-61	-172	-172	-178.3	4.9	114.7	E367 R368 L369	E367-R371 IonicContact OE1-CZ 2.81Å; E367-R371 IonicContact OE1-NH2 2.99Å; E367-R371 PolarHBondContact OE1-NH2 3.06Å; R368-R371 PolarHBondContact O-N 3.45Å; R368-R371 VanDerWaalsContact O-N 3.17Å; L369-R371 PolarHBondContact O-N 3.06Å
372	Y	44.3	Very low	44.9	Very low	100 Å²	100	76.1 Å²	76.1	39%	0.392	37%	0.369	S	S	.	.			trans	-108.4	146.3	-170.4	-143.9	-99.4	0	0	0	115.8	L369 G370 I397 L424	L369-Y372 PolarHBondContact O-N 3.46Å; G370-Y372 VanDerWaalsContact C-N 3.32Å; G370-Y372 PolarHBondContact O-N 3.32Å; Y372-I397 HydrophobicContact CD1-CD1 3.8Å; Y372-I397 HydrophobicContact CD1-CG1 4.28Å; Y372-I397 HydrophobicContact CD1-CG2 4.39Å; Y372-I397 HydrophobicContact CD2-CB 4.48Å; Y372-I397 HydrophobicContact CD2-CG1 4.24Å; Y372-I397 HydrophobicContact CD2-CG2 3.54Å; Y372-I397 HydrophobicContact CE1-CD1 3.38Å; Y372-I397 HydrophobicContact CE1-CG1 3.71Å; Y372-I397 HydrophobicContact CE2-CB 4.23Å; Y372-I397 HydrophobicContact CE2-CD1 4.27Å; Y372-I397 HydrophobicContact CE2-CG1 3.68Å; Y372-I397 HydrophobicContact CE2-CG2 3.76Å; Y372-I397 HydrophobicContact CG-CD1 4.39Å; Y372-I397 HydrophobicContact CG-CG2 3.89Å; Y372-I397 WeakPolarHBondContact OH-CG1 3.45Å; Y372-L424 WeakPolarHBondContact O-CD1 3.46Å
373	N	44.7	Very low	45.2	Very low	107 Å²	107	81.1 Å²	81.1	57%	0.572	39%	0.394	S	S	*	.			trans	-112.2	36.7	-160.1	-158.9	22.8	0	0	0	114.6
374	R	44.2	Very low	45.3	Very low	160 Å²	160	83.4 Å²	83.4	60%	0.604	40%	0.4	S	S	*	.			trans	-141.6	97.1	175.4	-72	-165.4	177.1	175.8	0.9	113.8	K376	R374-K376 PolarHBondContact O-N 3.17Å
375	P	42.8	Very low	45.2	Very low	65 Å²	65	86.4 Å²	86.4	42%	0.422	41%	0.413	S	S	.	.	H	α-helix	trans	-68.3	-29.7	178.9	24.1	-31.7	0	0	0	113.9	L377 I378 T379	P375-L377 VanDerWaalsContact C-N 3.26Å; P375-L377 PolarHBondContact O-N 3.02Å; P375-I378 PolarHBondContact O-N 3.46Å; P375-I378 VanDerWaalsContact O-N 3.14Å; P375-T379 PolarHBondContact O-N 3.06Å; P375-T379 VanDerWaalsContact O-N 3.17Å
376	K	44.7	Very low	45.1	Very low	173 Å²	173	86.7 Å²	86.7	75%	0.752	42%	0.416	S	S	*	.	H	α-helix	trans	-65	-24.2	-178.2	-67.8	-175	178.7	-176.3	0	114.4	R374 T379	R374-K376 PolarHBondContact O-N 3.17Å; K376-T379 VanDerWaalsContact C-OG1 3.29Å; K376-T379 WeakPolarHBondContact CA-OG1 3.39Å; K376-T379 PolarHBondContact O-OG1 2.79Å
377	L	46.7	Very low	45	Very low	22 Å²	22	88.8 Å²	88.8	12%	0.115	43%	0.426	C	S	.	.	H	α-helix	trans	-74.4	-33.9	176.9	-138.7	89.1	0	0	0	111	P375 L381 Q393 I394 I397	P375-L377 VanDerWaalsContact C-N 3.26Å; P375-L377 PolarHBondContact O-N 3.02Å; L377-L381 PolarHBondContact O-N 3.21Å; L377-Q393 HydrophobicContact CD2-CB 4.47Å; L377-I394 HydrophobicContact CD2-CD1 4.42Å; L377-I394 HydrophobicContact CD2-CG1 3.93Å; L377-I397 HydrophobicContact CD2-CD1 4.28Å
378	I	47.9	Very low	44.9	Very low	39 Å²	39	90.1 Å²	90.1	20%	0.2	44%	0.435	C	S	.	.	H	α-helix	trans	-75.8	-35.2	179.9	-58.1	173.3	0	0	0	110.3	L369 P375 N380 L381 L382	L369-I378 HydrophobicContact CD2-CD1 4.43Å; P375-I378 PolarHBondContact O-N 3.46Å; P375-I378 VanDerWaalsContact O-N 3.14Å; I378-N380 VanDerWaalsContact C-N 3.34Å; I378-N380 PolarHBondContact O-N 2.64Å; I378-L381 VanDerWaalsContact O-CB 3.25Å; I378-L381 WeakPolarHBondContact O-CB 3.14Å; I378-L381 PolarHBondContact O-N 3.04Å; I378-L382 HydrophobicContact CG2-CD1 4.08Å; I378-L382 PolarHBondContact O-N 3.47Å
379	T	45.5	Very low	45.2	Very low	36 Å²	36	90.7 Å²	90.7	22%	0.221	44%	0.443	C	S	.	.	H	α-helix	trans	-61.6	-38.7	175.7	49.6	0	0	0	0	112.8	P375 K376 L381 L382 N383 Y427	P375-T379 PolarHBondContact O-N 3.06Å; P375-T379 VanDerWaalsContact O-N 3.17Å; K376-T379 VanDerWaalsContact C-OG1 3.29Å; K376-T379 WeakPolarHBondContact CA-OG1 3.39Å; K376-T379 PolarHBondContact O-OG1 2.79Å; T379-L381 VanDerWaalsContact C-N 3.3Å; T379-L381 PolarHBondContact O-N 2.68Å; T379-L382 PolarHBondContact O-N 3.38Å; T379-N383 WeakPolarHBondContact O-CB 3.37Å; T379-N383 PolarHBondContact O-N 3.38Å; T379-Y427 HydrophobicContact CG2-CE1 4.4Å
380	N	45.2	Very low	45.2	Very low	51 Å²	51	89.6 Å²	89.6	27%	0.273	44%	0.436	S	S	.	.	H	α-helix	trans	-69.4	-30.9	177.2	-74.9	0.8	0	0	0	112.3	I378 Q385	I378-N380 VanDerWaalsContact C-N 3.34Å; I378-N380 PolarHBondContact O-N 2.64Å; N380-Q385 CarbonylContact O-C 3.43Å; N380-Q385 PolarHBondContact O-N 2.95Å
381	L	45	Very low	45.1	Very low	47 Å²	47	93.1 Å²	93.1	25%	0.246	45%	0.452	C	S	.	.	H	α-helix	trans	-67.8	-41	174.1	-118.1	164.5	0	0	0	112.1	L377 I378 T379 I394 L458	L377-L381 PolarHBondContact O-N 3.21Å; I378-L381 VanDerWaalsContact O-CB 3.25Å; I378-L381 WeakPolarHBondContact O-CB 3.14Å; I378-L381 PolarHBondContact O-N 3.04Å; T379-L381 VanDerWaalsContact C-N 3.3Å; T379-L381 PolarHBondContact O-N 2.68Å; L381-I394 HydrophobicContact CD1-CD1 3.39Å; L381-I394 HydrophobicContact CG-CD1 4.46Å; L381-L458 HydrophobicContact CD2-CD2 3.55Å
382	L	43.7	Very low	45.1	Very low	75 Å²	75	87.3 Å²	87.3	39%	0.393	44%	0.436	S	S	.	.	H	α-helix	trans	-76.4	-33.4	178.4	-70.8	167.3	0	0	0	112.8	I378 T379 N384 E431 L454	I378-L382 HydrophobicContact CG2-CD1 4.08Å; I378-L382 PolarHBondContact O-N 3.47Å; T379-L382 PolarHBondContact O-N 3.38Å; L382-N384 VanDerWaalsContact C-N 3.35Å; L382-N384 PolarHBondContact O-N 2.81Å; L382-E431 HydrophobicContact CD1-CB 4.41Å; L382-L454 HydrophobicContact CD2-CD1 4.18Å
383	N	47.4	Very low	45	Very low	119 Å²	119	86.3 Å²	86.3	64%	0.636	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	24.5	-177.5	-72.9	-10	0	0	0	114.6	T379 Q385	T379-N383 WeakPolarHBondContact O-CB 3.37Å; T379-N383 PolarHBondContact O-N 3.38Å; N383-Q385 PolarHBondContact O-N 3.24Å; N383-Q385 VanDerWaalsContact O-N 3.08Å
384	N	49.1	Very low	45	Very low	117 Å²	117	83.2 Å²	83.2	63%	0.626	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	14.6	177.4	-73	-24.5	0	0	0	116.4	L382	L382-N384 VanDerWaalsContact C-N 3.35Å; L382-N384 PolarHBondContact O-N 2.81Å
385	Q	42.9	Very low	44.9	Very low	137 Å²	137	80 Å²	80	64%	0.64	41%	0.411	S	S	*	.			trans	-103.9	69.2	177.9	-68.6	-174.1	-7.3	0	0	110.8	N380 N383	N380-Q385 CarbonylContact O-C 3.43Å; N380-Q385 PolarHBondContact O-N 2.95Å; N383-Q385 PolarHBondContact O-N 3.24Å; N383-Q385 VanDerWaalsContact O-N 3.08Å
386	C	41.2	Very low	44.6	Very low	27 Å²	27	82.2 Å²	82.2	18%	0.182	41%	0.414	C	S	.	.			trans	-105.3	114.8	-178.3	-154	0	0	0	0	112
387	T	43.7	Very low	44.3	Very low	76 Å²	76	75.9 Å²	75.9	47%	0.466	39%	0.388	S	S	.	.			trans	-98.3	157.9	170.3	60.1	0	0	0	0	111.2	E389 H390	T387-E389 VanDerWaalsContact C-N 3.25Å; T387-E389 PolarHBondContact O-N 3.19Å; T387-H390 WeakPolarHBondContact O-CB 3.36Å; T387-H390 PolarHBondContact O-N 2.99Å; T387-H390 PolarHBondContact OG1-CE1 2.95Å; T387-H390 PolarHBondContact OG1-ND1 3.13Å
388	I	44.4	Very low	43.7	Very low	144 Å²	144	79.1 Å²	79.1	74%	0.738	40%	0.401	S	S	*	.	H	α-helix	trans	-56	-36.7	-176.2	-72.6	160	0	0	0	112.6	H390 I391 D392	I388-H390 VanDerWaalsContact C-N 3.27Å; I388-H390 PolarHBondContact O-N 2.78Å; I388-I391 PolarHBondContact O-N 3.38Å; I388-D392 PolarHBondContact O-N 3.46Å
389	E	49.4	Very low	43.1	Very low	143 Å²	143	85.1 Å²	85.1	67%	0.668	42%	0.423	S	S	*	.	H	α-helix	trans	-61.2	-33.8	177.1	-66.8	178.3	174.8	0	0	112.9	T387 Q393	T387-E389 VanDerWaalsContact C-N 3.25Å; T387-E389 PolarHBondContact O-N 3.19Å; E389-Q393 WeakPolarHBondContact O-CB 3.22Å; E389-Q393 VanDerWaalsContact O-CG 3.27Å; E389-Q393 WeakPolarHBondContact O-CG 3.4Å; E389-Q393 PolarHBondContact O-N 3.45Å
390	H	45.7	Very low	42.4	Very low	41 Å²	41	88.2 Å²	88.2	19%	0.19	44%	0.437	C	S	.	.	H	α-helix	trans	-70.8	-35	177.8	-66	117.2	0	0	0	111.9	T387 I388 I394	T387-H390 WeakPolarHBondContact O-CB 3.36Å; T387-H390 PolarHBondContact O-N 2.99Å; T387-H390 PolarHBondContact OG1-CE1 2.95Å; T387-H390 PolarHBondContact OG1-ND1 3.13Å; I388-H390 VanDerWaalsContact C-N 3.27Å; I388-H390 PolarHBondContact O-N 2.78Å; H390-I394 WeakPolarHBondContact O-CD1 3.38Å; H390-I394 VanDerWaalsContact O-CG1 3.26Å; H390-I394 WeakPolarHBondContact O-CG1 3.24Å; H390-I394 PolarHBondContact O-N 2.86Å; H390-I394 VanDerWaalsContact O-N 3.13Å
391	I	43.8	Very low	41.6	Very low	85 Å²	85	88.3 Å²	88.3	44%	0.436	45%	0.45	S	S	.	.	H	α-helix	trans	-71.9	-44.1	177.7	-62	176.3	0	0	0	110.6	I388 Q393 I394 I395	I388-I391 PolarHBondContact O-N 3.38Å; I391-Q393 VanDerWaalsContact C-N 3.3Å; I391-Q393 PolarHBondContact O-N 2.82Å; I391-I394 WeakPolarHBondContact O-CB 3.42Å; I391-I394 PolarHBondContact O-N 2.91Å; I391-I395 HydrophobicContact CG2-CD1 4.13Å; I391-I395 WeakPolarHBondContact O-CG1 3.46Å; I391-I395 PolarHBondContact O-N 2.92Å
392	D	44.2	Very low	40.8	Very low	70 Å²	70	92.4 Å²	92.4	37%	0.374	47%	0.472	S	S	.	.	H	α-helix	trans	-64.5	-36.5	177.5	-167.9	55.3	0	0	0	111.7	I388 I394 I395 K396	I388-D392 PolarHBondContact O-N 3.46Å; D392-I394 VanDerWaalsContact C-N 3.33Å; D392-I394 PolarHBondContact O-N 3.3Å; D392-I395 PolarHBondContact O-N 3.49Å; D392-K396 WeakPolarHBondContact O-CB 3.41Å; D392-K396 WeakPolarHBondContact O-CG 3.32Å; D392-K396 PolarHBondContact O-N 3.47Å; D392-K396 WeakPolarHBondContact OD2-CE 3.41Å; D392-K396 IonicContact OD2-NZ 3.13Å; D392-K396 PolarHBondContact OD2-NZ 3.49Å
393	Q	43.2	Very low	40.2	Very low	78 Å²	78	97.1 Å²	97.1	36%	0.364	49%	0.492	S	S	.	.	H	α-helix	trans	-62.5	-39	170.7	-76.9	179.2	15.9	0	0	112	L377 E389 I391 K396 I397	L377-Q393 HydrophobicContact CD2-CB 4.47Å; E389-Q393 WeakPolarHBondContact O-CB 3.22Å; E389-Q393 VanDerWaalsContact O-CG 3.27Å; E389-Q393 WeakPolarHBondContact O-CG 3.4Å; E389-Q393 PolarHBondContact O-N 3.45Å; I391-Q393 VanDerWaalsContact C-N 3.3Å; I391-Q393 PolarHBondContact O-N 2.82Å; Q393-K396 PolarHBondContact O-N 3.23Å; Q393-I397 WeakPolarHBondContact O-CB 3.23Å; Q393-I397 WeakPolarHBondContact O-CD1 3.28Å; Q393-I397 WeakPolarHBondContact O-CG1 3.47Å; Q393-I397 PolarHBondContact O-N 3.16Å
394	I	44.5	Very low	39.3	Very low	42 Å²	42	100 Å²	100	22%	0.215	50%	0.499	C	S	.	.	H	α-helix	trans	-66.7	-39.3	175.6	-69.4	163.5	0	0	0	111.6	L377 L381 H390 I391 D392 I397 F398	L377-I394 HydrophobicContact CD2-CD1 4.42Å; L377-I394 HydrophobicContact CD2-CG1 3.93Å; L381-I394 HydrophobicContact CD1-CD1 3.39Å; L381-I394 HydrophobicContact CG-CD1 4.46Å; H390-I394 WeakPolarHBondContact O-CD1 3.38Å; H390-I394 VanDerWaalsContact O-CG1 3.26Å; H390-I394 WeakPolarHBondContact O-CG1 3.24Å; H390-I394 PolarHBondContact O-N 2.86Å; H390-I394 VanDerWaalsContact O-N 3.13Å; I391-I394 WeakPolarHBondContact O-CB 3.42Å; I391-I394 PolarHBondContact O-N 2.91Å; D392-I394 VanDerWaalsContact C-N 3.33Å; D392-I394 PolarHBondContact O-N 3.3Å; I394-I397 WeakPolarHBondContact O-CB 3.43Å; I394-I397 PolarHBondContact O-N 3.41Å; I394-F398 HydrophobicContact CG2-CD2 3.98Å; I394-F398 HydrophobicContact CG2-CE2 3.54Å; I394-F398 HydrophobicContact CG2-CZ 4.49Å; I394-F398 WeakPolarHBondContact O-CD2 3.26Å; I394-F398 PolarHBondContact O-N 2.93Å
395	I	42.7	Very low	38.4	Very low	94 Å²	94	102.1 Å²	102.1	48%	0.482	51%	0.505	S	S	.	.	H	α-helix	trans	-63.9	-42.8	174.3	-65.6	169.1	0	0	0	110.5	I391 D392 I397 F398 Y399	I391-I395 HydrophobicContact CG2-CD1 4.13Å; I391-I395 WeakPolarHBondContact O-CG1 3.46Å; I391-I395 PolarHBondContact O-N 2.92Å; D392-I395 PolarHBondContact O-N 3.49Å; I395-I397 VanDerWaalsContact C-N 3.29Å; I395-I397 PolarHBondContact O-N 2.93Å; I395-F398 WeakPolarHBondContact O-CB 3.3Å; I395-F398 PolarHBondContact O-N 3.31Å; I395-F398 VanDerWaalsContact O-N 3.12Å; I395-Y399 PolarHBondContact O-N 3.45Å
396	K	36.4	Very low	37.7	Very low	111 Å²	111	104 Å²	104	48%	0.483	52%	0.518	S	S	.	.	H	α-helix	trans	-63	-34.1	172.5	-76.9	168.5	174.5	153.1	0	112.6	D392 Q393 F398 Y399 I400	D392-K396 WeakPolarHBondContact O-CB 3.41Å; D392-K396 WeakPolarHBondContact O-CG 3.32Å; D392-K396 PolarHBondContact O-N 3.47Å; D392-K396 WeakPolarHBondContact OD2-CE 3.41Å; D392-K396 IonicContact OD2-NZ 3.13Å; D392-K396 PolarHBondContact OD2-NZ 3.49Å; Q393-K396 PolarHBondContact O-N 3.23Å; K396-F398 VanDerWaalsContact C-N 3.3Å; K396-F398 PolarHBondContact O-N 2.98Å; K396-Y399 PolarHBondContact O-N 3.26Å; K396-I400 HydrophobicContact CB-CD1 4.4Å; K396-I400 WeakPolarHBondContact O-CG1 3.5Å; K396-I400 PolarHBondContact O-N 2.86Å
397	I	37.9	Very low	37.2	Very low	40 Å²	40	106.1 Å²	106.1	21%	0.205	53%	0.534	C	S	.	.	H	α-helix	trans	-63.9	-36.7	173.3	-71.3	165.3	0	0	0	111.2	Y372 L377 Q393 I394 I395 Y399	Y372-I397 HydrophobicContact CD1-CD1 3.8Å; Y372-I397 HydrophobicContact CD1-CG1 4.28Å; Y372-I397 HydrophobicContact CD1-CG2 4.39Å; Y372-I397 HydrophobicContact CD2-CB 4.48Å; Y372-I397 HydrophobicContact CD2-CG1 4.24Å; Y372-I397 HydrophobicContact CD2-CG2 3.54Å; Y372-I397 HydrophobicContact CE1-CD1 3.38Å; Y372-I397 HydrophobicContact CE1-CG1 3.71Å; Y372-I397 HydrophobicContact CE2-CB 4.23Å; Y372-I397 HydrophobicContact CE2-CD1 4.27Å; Y372-I397 HydrophobicContact CE2-CG1 3.68Å; Y372-I397 HydrophobicContact CE2-CG2 3.76Å; Y372-I397 HydrophobicContact CG-CD1 4.39Å; Y372-I397 HydrophobicContact CG-CG2 3.89Å; Y372-I397 WeakPolarHBondContact OH-CG1 3.45Å; L377-I397 HydrophobicContact CD2-CD1 4.28Å; Q393-I397 WeakPolarHBondContact O-CB 3.23Å; Q393-I397 WeakPolarHBondContact O-CD1 3.28Å; Q393-I397 WeakPolarHBondContact O-CG1 3.47Å; Q393-I397 PolarHBondContact O-N 3.16Å; I394-I397 WeakPolarHBondContact O-CB 3.43Å; I394-I397 PolarHBondContact O-N 3.41Å; I395-I397 VanDerWaalsContact C-N 3.29Å; I395-I397 PolarHBondContact O-N 2.93Å; I397-Y399 PolarHBondContact O-N 3Å
398	F	35	Very low	36.8	Very low	89 Å²	89	108.7 Å²	108.7	39%	0.39	55%	0.55	S	S	.	.	H	α-helix	trans	-68.1	-24	172.3	-73.5	-64.9	0	0	0	113.2	R368 I394 I395 K396	R368-F398 HydrophobicContact CB-CE1 4.47Å; I394-F398 HydrophobicContact CG2-CD2 3.98Å; I394-F398 HydrophobicContact CG2-CE2 3.54Å; I394-F398 HydrophobicContact CG2-CZ 4.49Å; I394-F398 WeakPolarHBondContact O-CD2 3.26Å; I394-F398 PolarHBondContact O-N 2.93Å; I395-F398 WeakPolarHBondContact O-CB 3.3Å; I395-F398 PolarHBondContact O-N 3.31Å; I395-F398 VanDerWaalsContact O-N 3.12Å; K396-F398 VanDerWaalsContact C-N 3.3Å; K396-F398 PolarHBondContact O-N 2.98Å
399	Y	35.2	Very low	36.7	Very low	165 Å²	165	107.3 Å²	107.3	65%	0.647	54%	0.544	S	S	*	.	H	α-helix	trans	-93.1	-33.8	-177.2	-127.2	-85.9	0	0	0	114.3	I395 K396 I397 G401	I395-Y399 PolarHBondContact O-N 3.45Å; K396-Y399 PolarHBondContact O-N 3.26Å; I397-Y399 PolarHBondContact O-N 3Å; Y399-G401 PolarHBondContact O-N 3.26Å
400	I	30.5	Very low	36.3	Very low	101 Å²	101	108 Å²	108	52%	0.518	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-78.9	1	-176.9	-65.1	165.5	0	0	0	112.3	K396 D402	K396-I400 HydrophobicContact CB-CD1 4.4Å; K396-I400 WeakPolarHBondContact O-CG1 3.5Å; K396-I400 PolarHBondContact O-N 2.86Å; I400-D402 VanDerWaalsContact C-N 3.26Å; I400-D402 PolarHBondContact O-N 2.98Å
401	G	27.5	Very low	35.8	Very low	53 Å²	53	111.9 Å²	111.9	55%	0.546	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-66.3	-18.8	180	0	0	0	0	0	115.8	Y399	Y399-G401 PolarHBondContact O-N 3.26Å
402	D	29.3	Very low	35.6	Very low	134 Å²	134	112.8 Å²	112.8	72%	0.717	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-88.6	-10.5	-171.4	-73.5	-10.8	0	0	0	114.7	I400 H405	I400-D402 VanDerWaalsContact C-N 3.26Å; I400-D402 PolarHBondContact O-N 2.98Å; D402-H405 PolarHBondContact O-CD2 3.4Å
403	E	29.8	Very low	35.1	Very low	174 Å²	174	114.3 Å²	114.3	81%	0.813	60%	0.596	S	S	*	*	S	Bend	trans	-103.6	14.6	-169.5	-80.7	-160.5	156.4	0	0	117.6
404	F	28.4	Very low	34.9	Very low	179 Å²	179	115.6 Å²	115.6	79%	0.785	60%	0.598	S	S	*	*			trans	-123.1	56	177.9	-69.5	-78.6	0	0	0	113.7
405	H	30	Very low	34.7	Very low	161 Å²	161	121.7 Å²	121.7	75%	0.745	62%	0.623	S	S	*	*			trans	-86.6	7.6	178.3	-85.8	-80.7	0	0	0	116	D402	D402-H405 PolarHBondContact O-CD2 3.4Å
406	L	29.8	Very low	34.5	Very low	176 Å²	176	122.3 Å²	122.3	92%	0.921	62%	0.622	S	S	*	*			trans	-119.9	80.9	-175.5	-69.5	162.1	0	0	0	112.1
407	S	31.1	Very low	34.5	Very low	73 Å²	73	122.6 Å²	122.6	51%	0.51	62%	0.624	S	S	.	*			trans	-156.3	111.5	151.1	66.2	0	0	0	0	111.4
408	T	34.5	Very low	34.7	Very low	129 Å²	129	125.7 Å²	125.7	79%	0.791	64%	0.637	S	S	*	*			trans	-61.5	154.1	173.6	46.4	0	0	0	0	112.4	D410	T408-D410 PolarHBondContact O-N 3.28Å; T408-D410 VanDerWaalsContact O-N 3.12Å
409	N	43	Very low	35.2	Very low	115 Å²	115	129.1 Å²	129.1	62%	0.615	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	3	-154.2	-107	-10.9	0	0	0	118.6
410	D	39.5	Very low	35.5	Very low	158 Å²	158	127.1 Å²	127.1	85%	0.845	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	6.4	-168.8	-74.9	-24.7	0	0	0	116.5	T408	T408-D410 PolarHBondContact O-N 3.28Å; T408-D410 VanDerWaalsContact O-N 3.12Å
411	N	36.5	Very low	36	Very low	122 Å²	122	125.9 Å²	125.9	65%	0.652	64%	0.637	S	S	*	*	S	Bend	trans	-90.8	140.9	174.6	-77.3	-16.6	0	0	0	112.9	L413 Y414	N411-L413 PolarHBondContact O-N 2.95Å; N411-Y414 PolarHBondContact O-N 3.17Å
412	S	39.6	Very low	36.8	Very low	105 Å²	105	126.5 Å²	126.5	73%	0.734	63%	0.633	S	S	*	*	H	α-helix	trans	-44.6	-23.6	176.5	55.7	0	0	0	0	114.9	Y414 K415 F416	S412-Y414 PolarHBondContact O-N 3.09Å; S412-K415 PolarHBondContact O-N 3.11Å; S412-F416 WeakPolarHBondContact O-CB 3.22Å; S412-F416 PolarHBondContact O-N 2.91Å
413	L	32.6	Very low	37.4	Very low	101 Å²	101	124.3 Å²	124.3	53%	0.529	63%	0.625	S	S	.	*	H	α-helix	trans	-60.6	-37	173.4	-160.8	73	0	0	0	113.2	N411 F416 K417	N411-L413 PolarHBondContact O-N 2.95Å; L413-F416 PolarHBondContact O-N 3.43Å; L413-K417 WeakPolarHBondContact O-CG 3.33Å; L413-K417 PolarHBondContact O-N 2.82Å
414	Y	39	Very low	37.8	Very low	106 Å²	106	117 Å²	117	42%	0.416	59%	0.591	S	S	.	*	H	α-helix	trans	-67.9	-44.5	177.1	-177.8	-93.4	0	0	0	111.7	N411 S412 F416 K417 Q418	N411-Y414 PolarHBondContact O-N 3.17Å; S412-Y414 PolarHBondContact O-N 3.09Å; Y414-F416 VanDerWaalsContact C-N 3.27Å; Y414-F416 PolarHBondContact O-N 3.27Å; Y414-K417 WeakPolarHBondContact O-CB 3.02Å; Y414-K417 PolarHBondContact O-N 3.18Å; Y414-K417 VanDerWaalsContact O-N 3.13Å; Y414-Q418 HydrophobicContact CE1-CG 4.24Å; Y414-Q418 PolarHBondContact O-N 3.34Å
415	K	40.4	Very low	38.5	Very low	169 Å²	169	114.5 Å²	114.5	74%	0.735	58%	0.577	S	S	*	*	H	α-helix	trans	-62.5	-36.2	174.3	-114.4	177	-179.4	172.3	0	111.9	S412 K419	S412-K415 PolarHBondContact O-N 3.11Å; K415-K419 PolarHBondContact O-N 3.33Å
416	F	39.1	Very low	39.4	Very low	108 Å²	108	112.5 Å²	112.5	47%	0.474	57%	0.571	S	S	.	*	H	α-helix	trans	-67.6	-38.9	173.4	-170.4	-102.9	0	0	0	112.3	S412 L413 Y414 K419 R420	S412-F416 WeakPolarHBondContact O-CB 3.22Å; S412-F416 PolarHBondContact O-N 2.91Å; L413-F416 PolarHBondContact O-N 3.43Å; Y414-F416 VanDerWaalsContact C-N 3.27Å; Y414-F416 PolarHBondContact O-N 3.27Å; F416-K419 PolarHBondContact O-N 3.05Å; F416-R420 PolarHBondContact O-N 3.29Å; F416-R420 VanDerWaalsContact O-N 3.16Å
417	K	35.4	Very low	40.1	Very low	116 Å²	116	109 Å²	109	50%	0.504	55%	0.546	S	S	.	.	H	α-helix	trans	-61.5	-47.5	173.9	-77.1	176.5	179.3	-177.8	0	112.1	L413 Y414 K419 R420 L421	L413-K417 WeakPolarHBondContact O-CG 3.33Å; L413-K417 PolarHBondContact O-N 2.82Å; Y414-K417 WeakPolarHBondContact O-CB 3.02Å; Y414-K417 PolarHBondContact O-N 3.18Å; Y414-K417 VanDerWaalsContact O-N 3.13Å; K417-K419 PolarHBondContact O-N 3.49Å; K417-R420 PolarHBondContact O-N 2.98Å; K417-L421 WeakPolarHBondContact O-CB 3.31Å; K417-L421 PolarHBondContact O-N 2.86Å
418	Q	41.9	Very low	40.7	Very low	106 Å²	106	107.7 Å²	107.7	50%	0.495	53%	0.533	S	S	.	.	H	α-helix	trans	-62.1	-43.4	176.8	-90.3	-168.6	-8.2	0	0	112.9	Y414 R420 L421 S422	Y414-Q418 HydrophobicContact CE1-CG 4.24Å; Y414-Q418 PolarHBondContact O-N 3.34Å; Q418-R420 VanDerWaalsContact C-N 3.28Å; Q418-R420 PolarHBondContact O-N 3.3Å; Q418-L421 WeakPolarHBondContact O-CB 3.45Å; Q418-L421 PolarHBondContact O-N 2.98Å; Q418-S422 PolarHBondContact O-N 3.36Å; Q418-S422 VanDerWaalsContact O-N 3.12Å
419	K	45.1	Very low	41.5	Very low	160 Å²	160	102.6 Å²	102.6	70%	0.696	50%	0.503	S	S	*	.	H	α-helix	trans	-63.4	-37.2	-179.3	-149	174.4	-174.3	-178	0	111.2	K415 F416 K417 S422 T423	K415-K419 PolarHBondContact O-N 3.33Å; F416-K419 PolarHBondContact O-N 3.05Å; K417-K419 PolarHBondContact O-N 3.49Å; K419-S422 PolarHBondContact O-OG 2.99Å; K419-T423 PolarHBondContact O-N 3.02Å
420	R	41.5	Very low	41.7	Very low	123 Å²	123	101.1 Å²	101.1	46%	0.464	50%	0.495	S	S	.	.	H	α-helix	trans	-74.6	-37.2	175.8	-81.4	-171.6	156.9	177.8	-3.6	114.2	F416 K417 Q418 S422 T423 L424	F416-R420 PolarHBondContact O-N 3.29Å; F416-R420 VanDerWaalsContact O-N 3.16Å; K417-R420 PolarHBondContact O-N 2.98Å; Q418-R420 VanDerWaalsContact C-N 3.28Å; Q418-R420 PolarHBondContact O-N 3.3Å; R420-S422 PolarHBondContact O-N 2.86Å; R420-T423 WeakPolarHBondContact CA-OG1 3.12Å; R420-T423 PolarHBondContact O-N 3.1Å; R420-T423 VanDerWaalsContact O-N 3.11Å; R420-T423 PolarHBondContact O-OG1 3.39Å; R420-L424 PolarHBondContact O-N 2.92Å; R420-L424 VanDerWaalsContact O-N 3.08Å
421	L	41.3	Very low	41.9	Very low	76 Å²	76	97.3 Å²	97.3	40%	0.398	47%	0.472	S	S	.	.	H	α-helix	trans	-53.3	-45.7	171.2	179.9	69.9	0	0	0	110.5	G370 K417 Q418 T423 L424 W425	G370-L421 WeakPolarHBondContact O-CD1 3.02Å; K417-L421 WeakPolarHBondContact O-CB 3.31Å; K417-L421 PolarHBondContact O-N 2.86Å; Q418-L421 WeakPolarHBondContact O-CB 3.45Å; Q418-L421 PolarHBondContact O-N 2.98Å; L421-T423 VanDerWaalsContact C-N 3.34Å; L421-T423 PolarHBondContact O-N 2.95Å; L421-L424 PolarHBondContact O-N 3.23Å; L421-W425 PolarHBondContact O-N 2.73Å
422	S	44.3	Very low	42.2	Very low	66 Å²	66	93 Å²	93	46%	0.462	45%	0.449	S	S	.	.	H	α-helix	trans	-62.1	-37.8	178.2	80.3	0	0	0	0	113.2	Q418 K419 R420 W425 L426	Q418-S422 PolarHBondContact O-N 3.36Å; Q418-S422 VanDerWaalsContact O-N 3.12Å; K419-S422 PolarHBondContact O-OG 2.99Å; R420-S422 PolarHBondContact O-N 2.86Å; S422-W425 PolarHBondContact O-N 3.49Å; S422-L426 WeakPolarHBondContact O-CB 3.3Å; S422-L426 PolarHBondContact O-N 3.35Å
423	T	43	Very low	42.7	Very low	87 Å²	87	93.7 Å²	93.7	53%	0.534	44%	0.44	S	S	.	.	H	α-helix	trans	-70.1	-36.5	178.7	52.6	0	0	0	0	112.8	K419 R420 L421 L426 Y427	K419-T423 PolarHBondContact O-N 3.02Å; R420-T423 WeakPolarHBondContact CA-OG1 3.12Å; R420-T423 PolarHBondContact O-N 3.1Å; R420-T423 VanDerWaalsContact O-N 3.11Å; R420-T423 PolarHBondContact O-OG1 3.39Å; L421-T423 VanDerWaalsContact C-N 3.34Å; L421-T423 PolarHBondContact O-N 2.95Å; T423-L426 PolarHBondContact O-N 3.49Å; T423-Y427 PolarHBondContact O-N 3.01Å; T423-Y427 VanDerWaalsContact O-N 3.11Å
424	L	37.4	Very low	43.4	Very low	22 Å²	22	94.7 Å²	94.7	12%	0.115	45%	0.446	C	S	.	.	H	α-helix	trans	-68.8	-41.4	177.6	-156.9	110	0	0	0	110.6	L369 Y372 R420 L421 Y427 I428	L369-L424 WeakPolarHBondContact O-CD2 3.21Å; Y372-L424 WeakPolarHBondContact O-CD1 3.46Å; R420-L424 PolarHBondContact O-N 2.92Å; R420-L424 VanDerWaalsContact O-N 3.08Å; L421-L424 PolarHBondContact O-N 3.23Å; L424-Y427 PolarHBondContact O-N 3.11Å; L424-I428 HydrophobicContact CD2-CD1 3.95Å; L424-I428 HydrophobicContact CG-CD1 4.5Å; L424-I428 WeakPolarHBondContact O-CG1 3.44Å; L424-I428 PolarHBondContact O-N 3.31Å
425	W	44.2	Very low	43.8	Very low	125 Å²	125	95.2 Å²	95.2	47%	0.473	45%	0.448	S	S	.	.	H	α-helix	trans	-63.8	-42.5	174.9	-123.1	96.7	0	0	0	112.4	L421 S422 Y427 S429 W447	L421-W425 PolarHBondContact O-N 2.73Å; S422-W425 PolarHBondContact O-N 3.49Å; W425-Y427 VanDerWaalsContact C-N 3.27Å; W425-Y427 PolarHBondContact O-N 3.1Å; W425-S429 VanDerWaalsContact O-CB 3.22Å; W425-S429 WeakPolarHBondContact O-CB 3.42Å; W425-S429 PolarHBondContact O-N 3.02Å; W425-W447 HydrophobicContact CZ3-CH2 4.38Å
426	L	47.3	Very low	43.9	Very low	120 Å²	120	94.2 Å²	94.2	63%	0.628	45%	0.45	S	S	*	.	H	α-helix	trans	-61.3	-38.3	176.1	-153.7	90.8	0	0	0	111.5	S422 T423 S429 N430	S422-L426 WeakPolarHBondContact O-CB 3.3Å; S422-L426 PolarHBondContact O-N 3.35Å; T423-L426 PolarHBondContact O-N 3.49Å; L426-S429 PolarHBondContact O-N 3.49Å; L426-N430 PolarHBondContact O-N 3.5Å
427	Y	45.1	Very low	44.3	Very low	103 Å²	103	92 Å²	92	40%	0.404	44%	0.442	S	S	.	.	H	α-helix	trans	-70.7	-47.7	179.7	-171.2	-99.8	0	0	0	112.6	T379 T423 L424 W425 S429 N430 E431	T379-Y427 HydrophobicContact CG2-CE1 4.4Å; T423-Y427 PolarHBondContact O-N 3.01Å; T423-Y427 VanDerWaalsContact O-N 3.11Å; L424-Y427 PolarHBondContact O-N 3.11Å; W425-Y427 VanDerWaalsContact C-N 3.27Å; W425-Y427 PolarHBondContact O-N 3.1Å; Y427-S429 PolarHBondContact O-N 2.94Å; Y427-N430 PolarHBondContact O-N 3.39Å; Y427-E431 HydrophobicContact CE1-CG 4.29Å; Y427-E431 PolarHBondContact O-N 2.87Å; Y427-E431 VanDerWaalsContact O-N 3.12Å
428	I	44.5	Very low	44.8	Very low	44 Å²	44	95.5 Å²	95.5	23%	0.226	46%	0.46	C	S	.	.	H	α-helix	trans	-59.3	-38.8	174	-67	169.3	0	0	0	110.2	L424 L432	L424-I428 HydrophobicContact CD2-CD1 3.95Å; L424-I428 HydrophobicContact CG-CD1 4.5Å; L424-I428 WeakPolarHBondContact O-CG1 3.44Å; L424-I428 PolarHBondContact O-N 3.31Å; I428-L432 HydrophobicContact CG2-CD1 3.77Å; I428-L432 HydrophobicContact CG2-CG 4.41Å; I428-L432 WeakPolarHBondContact O-CB 3.45Å; I428-L432 VanDerWaalsContact O-CG 3.32Å; I428-L432 WeakPolarHBondContact O-CG 3.37Å; I428-L432 PolarHBondContact O-N 3.42Å
429	S	49.9	Very low	44.8	Very low	23 Å²	23	96.5 Å²	96.5	16%	0.161	47%	0.469	C	S	.	.	H	α-helix	trans	-64.5	-41.4	176.5	-174.4	0	0	0	0	113	W425 L426 Y427 L432 Q433	W425-S429 VanDerWaalsContact O-CB 3.22Å; W425-S429 WeakPolarHBondContact O-CB 3.42Å; W425-S429 PolarHBondContact O-N 3.02Å; L426-S429 PolarHBondContact O-N 3.49Å; Y427-S429 PolarHBondContact O-N 2.94Å; S429-L432 PolarHBondContact O-N 2.7Å; S429-Q433 WeakPolarHBondContact O-CB 3.47Å; S429-Q433 WeakPolarHBondContact O-CG 3.44Å; S429-Q433 PolarHBondContact O-N 2.97Å
430	N	47.6	Very low	44.8	Very low	84 Å²	84	98.5 Å²	98.5	45%	0.449	48%	0.477	S	S	.	.	H	α-helix	trans	-65.6	-43.9	178	-85.3	2.3	0	0	0	112.1	L426 Y427 Q433 N434	L426-N430 PolarHBondContact O-N 3.5Å; Y427-N430 PolarHBondContact O-N 3.39Å; N430-Q433 PolarHBondContact O-N 3.47Å; N430-N434 PolarHBondContact O-N 3.14Å
431	E	43.9	Very low	45.2	Very low	77 Å²	77	102.1 Å²	102.1	36%	0.36	50%	0.496	S	S	.	.	H	α-helix	trans	-65.2	-41.2	177	-74.4	-63.7	157.5	0	0	111.7	L382 Y427 Q433 N434	L382-E431 HydrophobicContact CD1-CB 4.41Å; Y427-E431 HydrophobicContact CE1-CG 4.29Å; Y427-E431 PolarHBondContact O-N 2.87Å; Y427-E431 VanDerWaalsContact O-N 3.12Å; E431-Q433 VanDerWaalsContact C-N 3.28Å; E431-Q433 PolarHBondContact O-N 3.38Å; E431-N434 PolarHBondContact O-N 2.87Å
432	L	43.8	Very low	45.4	Very low	31 Å²	31	106.1 Å²	106.1	16%	0.162	51%	0.506	C	S	.	.	H	α-helix	trans	-67.7	-26.5	175.8	-74.2	172.2	0	0	0	112.8	I428 S429 Y435 W447 K450	I428-L432 HydrophobicContact CG2-CD1 3.77Å; I428-L432 HydrophobicContact CG2-CG 4.41Å; I428-L432 WeakPolarHBondContact O-CB 3.45Å; I428-L432 VanDerWaalsContact O-CG 3.32Å; I428-L432 WeakPolarHBondContact O-CG 3.37Å; I428-L432 PolarHBondContact O-N 3.42Å; S429-L432 PolarHBondContact O-N 2.7Å; L432-Y435 PolarHBondContact O-N 3.23Å; L432-W447 HydrophobicContact CB-CH2 4.49Å; L432-W447 HydrophobicContact CD1-CH2 4.24Å; L432-W447 HydrophobicContact CD1-CZ3 3.69Å; L432-K450 PolarHBondContact O-NZ 3.41Å
433	Q	48.8	Very low	45.4	Very low	121 Å²	121	107.8 Å²	107.8	57%	0.565	52%	0.518	S	S	*	.	H	α-helix	trans	-69.5	-31.8	174.3	-88.4	172.2	-35.9	0	0	112.9	S429 N430 E431 Y435	S429-Q433 WeakPolarHBondContact O-CB 3.47Å; S429-Q433 WeakPolarHBondContact O-CG 3.44Å; S429-Q433 PolarHBondContact O-N 2.97Å; N430-Q433 PolarHBondContact O-N 3.47Å; E431-Q433 VanDerWaalsContact C-N 3.28Å; E431-Q433 PolarHBondContact O-N 3.38Å; Q433-Y435 PolarHBondContact O-N 2.91Å
434	N	47.3	Very low	45.4	Very low	121 Å²	121	108 Å²	108	65%	0.647	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.9	177.2	-69.7	-17.2	0	0	0	113.3	N430 E431 I436	N430-N434 PolarHBondContact O-N 3.14Å; E431-N434 PolarHBondContact O-N 2.87Å; N434-I436 PolarHBondContact O-N 3.49Å
435	Y	47.2	Very low	46.1	Very low	117 Å²	117	112.4 Å²	112.4	46%	0.459	54%	0.542	S	S	.	.			trans	-79.9	107	177.3	-147.2	-97.2	0	0	0	111.4	L432 Q433 I437 K450 Y453	L432-Y435 PolarHBondContact O-N 3.23Å; Q433-Y435 PolarHBondContact O-N 2.91Å; Y435-I437 HydrophobicContact CD1-CG1 4.42Å; Y435-K450 WeakPolarHBondContact O-CE 3.21Å; Y435-K450 PolarHBondContact O-NZ 3.12Å; Y435-Y453 HydrophobicContact CE1-CD1 4.44Å; Y435-Y453 HydrophobicContact CE1-CE1 4.12Å; Y435-Y453 AromaticContact CZ-CE1 3.84Å; Y435-Y453 PolarHBondContact OH-OH 2.96Å; Y435-Y453 VanDerWaalsContact OH-OH 3.1Å
436	I	43	Very low	46.4	Very low	149 Å²	149	109.5 Å²	109.5	76%	0.764	54%	0.535	S	S	*	.			trans	-82.7	113.6	180	-59	172	0	0	0	109.3	N434	N434-I436 PolarHBondContact O-N 3.49Å
437	I	48.1	Very low	46.4	Very low	62 Å²	62	109 Å²	109	32%	0.318	53%	0.525	S	S	.	.			trans	-96	117.4	167.9	-60.9	173	0	0	0	106.7	Y435 N439 K450	Y435-I437 HydrophobicContact CD1-CG1 4.42Å; I437-N439 PolarHBondContact O-N 2.63Å; I437-N439 VanDerWaalsContact O-N 3.12Å; I437-K450 HydrophobicContact CD1-CD 4.37Å; I437-K450 HydrophobicContact CD1-CG 3.64Å
438	E	45.5	Very low	46.6	Very low	188 Å²	188	106.9 Å²	106.9	88%	0.879	52%	0.522	S	S	*	.	S	Bend	trans	-66.3	-13.5	-172.1	-72.8	-174.7	156.7	0	0	114.5	K440	E438-K440 PolarHBondContact O-N 3.11Å; E438-K440 VanDerWaalsContact O-N 3.14Å
439	N	42.7	Very low	46.7	Very low	127 Å²	127	107 Å²	107	68%	0.679	52%	0.522	S	S	*	.			trans	-91.7	77.2	-173.3	-139.9	-8.4	0	0	0	113.3	I437 K441	I437-N439 PolarHBondContact O-N 2.63Å; I437-N439 VanDerWaalsContact O-N 3.12Å; N439-K441 PolarHBondContact O-N 3.09Å
440	K	44.2	Very low	46.5	Very low	202 Å²	202	107.1 Å²	107.1	88%	0.878	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-2.9	-178.1	-85	-175.7	177.6	177.8	0	116.5	E438 R442	E438-K440 PolarHBondContact O-N 3.11Å; E438-K440 VanDerWaalsContact O-N 3.14Å; K440-R442 PolarHBondContact O-N 3.49Å
441	K	49.5	Very low	46.5	Very low	199 Å²	199	105.3 Å²	105.3	87%	0.865	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.6	-178.1	-80.9	-172.8	177.6	-179.1	0	115.6	N439	N439-K441 PolarHBondContact O-N 3.09Å
442	R	45.9	Very low	46.6	Very low	160 Å²	160	103.4 Å²	103.4	60%	0.604	51%	0.507	S	S	*	.			trans	-129.9	80.7	174.8	-72.6	-176.1	176.8	176.2	-1.6	111.6	K440 S444 I446	K440-R442 PolarHBondContact O-N 3.49Å; R442-S444 VanDerWaalsContact C-N 3.3Å; R442-S444 PolarHBondContact O-N 2.71Å; R442-I446 WeakPolarHBondContact O-CG1 3.28Å
443	S	44.2	Very low	47	Very low	102 Å²	102	106.4 Å²	106.4	71%	0.713	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-68	-28.7	177.9	72.3	0	0	0	0	113.4	F445	S443-F445 VanDerWaalsContact C-N 3.34Å; S443-F445 PolarHBondContact O-N 3.3Å
444	S	43.5	Very low	47	Very low	92 Å²	92	103.4 Å²	103.4	64%	0.643	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-75.4	-16.4	-171.1	59.6	0	0	0	0	115	R442	R442-S444 VanDerWaalsContact C-N 3.3Å; R442-S444 PolarHBondContact O-N 2.71Å
445	F	52.2	Low	47	Very low	113 Å²	113	99.7 Å²	99.7	50%	0.496	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-118.6	8.7	-173.9	-68	-72.7	0	0	0	114.1	S443 W447 T448 E449	S443-F445 VanDerWaalsContact C-N 3.34Å; S443-F445 PolarHBondContact O-N 3.3Å; F445-W447 VanDerWaalsContact C-N 3.26Å; F445-W447 PolarHBondContact O-N 3.01Å; F445-T448 PolarHBondContact O-N 3.04Å; F445-T448 PolarHBondContact O-OG1 3.38Å; F445-E449 WeakPolarHBondContact O-CB 3.33Å; F445-E449 PolarHBondContact O-N 3.35Å
446	I	50.1	Low	46.8	Very low	64 Å²	64	97.8 Å²	97.8	33%	0.328	48%	0.478	S	S	.	.	H	α-helix	trans	-55.6	-42.2	-177.9	-66.2	171.8	0	0	0	111.2	R442 K450	R442-I446 WeakPolarHBondContact O-CG1 3.28Å; I446-K450 HydrophobicContact CG2-CD 3.98Å; I446-K450 HydrophobicContact CG2-CG 4.48Å; I446-K450 WeakPolarHBondContact O-CB 3.38Å; I446-K450 VanDerWaalsContact O-CG 3.23Å; I446-K450 WeakPolarHBondContact O-CG 3.38Å; I446-K450 PolarHBondContact O-N 3.13Å
447	W	48.5	Very low	47.2	Very low	111 Å²	111	93.9 Å²	93.9	42%	0.42	46%	0.456	S	S	.	.	H	α-helix	trans	-72.3	-41.4	-177.2	-87.9	97.8	0	0	0	113.5	W425 L432 F445 E449 K450 L451	W425-W447 HydrophobicContact CZ3-CH2 4.38Å; L432-W447 HydrophobicContact CB-CH2 4.49Å; L432-W447 HydrophobicContact CD1-CH2 4.24Å; L432-W447 HydrophobicContact CD1-CZ3 3.69Å; F445-W447 VanDerWaalsContact C-N 3.26Å; F445-W447 PolarHBondContact O-N 3.01Å; W447-E449 VanDerWaalsContact C-N 3.33Å; W447-K450 PolarHBondContact O-N 3.46Å; W447-L451 PolarHBondContact O-N 2.93Å
448	T	47.4	Very low	47	Very low	57 Å²	57	93.8 Å²	93.8	35%	0.35	46%	0.456	S	S	.	.	H	α-helix	trans	-65.8	-38.3	176.4	46	0	0	0	0	111.4	F445 A452	F445-T448 PolarHBondContact O-N 3.04Å; F445-T448 PolarHBondContact O-OG1 3.38Å; T448-A452 WeakPolarHBondContact O-CB 3.45Å; T448-A452 PolarHBondContact O-N 3.14Å
449	E	47.1	Very low	47	Very low	48 Å²	48	87.2 Å²	87.2	22%	0.224	43%	0.427	C	S	.	.	H	α-helix	trans	-66.9	-41.7	174.9	-75.4	-179.8	172.7	0	0	111.6	F445 W447 A452 Y453	F445-E449 WeakPolarHBondContact O-CB 3.33Å; F445-E449 PolarHBondContact O-N 3.35Å; W447-E449 VanDerWaalsContact C-N 3.33Å; E449-A452 PolarHBondContact O-N 3.14Å; E449-Y453 VanDerWaalsContact O-CB 3.29Å; E449-Y453 WeakPolarHBondContact O-CB 3.5Å; E449-Y453 PolarHBondContact O-N 3.25Å
450	K	45.2	Very low	47.1	Very low	24 Å²	24	84 Å²	84	10%	0.104	41%	0.409	C	S	.	.	H	α-helix	trans	-62.7	-43.3	176.7	-77.5	-179.5	177.8	-165.1	0	112.9	L432 Y435 I437 I446 W447 Y453 L454	L432-K450 PolarHBondContact O-NZ 3.41Å; Y435-K450 WeakPolarHBondContact O-CE 3.21Å; Y435-K450 PolarHBondContact O-NZ 3.12Å; I437-K450 HydrophobicContact CD1-CD 4.37Å; I437-K450 HydrophobicContact CD1-CG 3.64Å; I446-K450 HydrophobicContact CG2-CD 3.98Å; I446-K450 HydrophobicContact CG2-CG 4.48Å; I446-K450 WeakPolarHBondContact O-CB 3.38Å; I446-K450 VanDerWaalsContact O-CG 3.23Å; I446-K450 WeakPolarHBondContact O-CG 3.38Å; I446-K450 PolarHBondContact O-N 3.13Å; W447-K450 PolarHBondContact O-N 3.46Å; K450-Y453 PolarHBondContact O-N 3.43Å; K450-L454 PolarHBondContact O-N 2.79Å; K450-L454 VanDerWaalsContact O-N 3.1Å
451	L	47.7	Very low	46.9	Very low	46 Å²	46	77.7 Å²	77.7	24%	0.241	38%	0.383	C	S	.	.	H	α-helix	trans	-71.9	-38.9	179.9	-126.4	138	0	0	0	111.8	A362 W447 L454 F455	A362-L451 HydrophobicContact CB-CD2 3.75Å; A362-L451 WeakPolarHBondContact O-CD2 3.29Å; W447-L451 PolarHBondContact O-N 2.93Å; L451-L454 PolarHBondContact O-N 3.22Å; L451-F455 PolarHBondContact O-N 3.02Å
452	A	47.3	Very low	46.4	Very low	38 Å²	38	71.5 Å²	71.5	31%	0.314	37%	0.365	S	S	.	.	H	α-helix	trans	-64.6	-39	172.9	0	0	0	0	0	112.1	T448 E449 F455 Q456	T448-A452 WeakPolarHBondContact O-CB 3.45Å; T448-A452 PolarHBondContact O-N 3.14Å; E449-A452 PolarHBondContact O-N 3.14Å; A452-F455 PolarHBondContact O-N 3.42Å; A452-Q456 WeakPolarHBondContact O-CB 3.29Å; A452-Q456 PolarHBondContact O-N 3.44Å
453	Y	52.7	Low	46.1	Very low	94 Å²	94	67.8 Å²	67.8	37%	0.369	36%	0.356	S	S	.	.	H	α-helix	trans	-61.5	-46.4	174.8	178.1	-96.3	0	0	0	111.9	Y435 E449 K450 F455 Q456 H457	Y435-Y453 HydrophobicContact CE1-CD1 4.44Å; Y435-Y453 HydrophobicContact CE1-CE1 4.12Å; Y435-Y453 AromaticContact CZ-CE1 3.84Å; Y435-Y453 PolarHBondContact OH-OH 2.96Å; Y435-Y453 VanDerWaalsContact OH-OH 3.1Å; E449-Y453 VanDerWaalsContact O-CB 3.29Å; E449-Y453 WeakPolarHBondContact O-CB 3.5Å; E449-Y453 PolarHBondContact O-N 3.25Å; K450-Y453 PolarHBondContact O-N 3.43Å; Y453-F455 VanDerWaalsContact C-N 3.27Å; Y453-F455 PolarHBondContact O-N 2.94Å; Y453-Q456 PolarHBondContact O-N 2.84Å; Y453-H457 VanDerWaalsContact O-CB 3.3Å; Y453-H457 WeakPolarHBondContact O-CB 3.22Å; Y453-H457 PolarHBondContact O-N 3.02Å
454	L	48	Very low	45.6	Very low	58 Å²	58	70.7 Å²	70.7	30%	0.304	36%	0.356	S	S	.	.	H	α-helix	trans	-57.8	-42.7	177	-166.3	105.6	0	0	0	111.3	L382 K450 L451 L458	L382-L454 HydrophobicContact CD2-CD1 4.18Å; K450-L454 PolarHBondContact O-N 2.79Å; K450-L454 VanDerWaalsContact O-N 3.1Å; L451-L454 PolarHBondContact O-N 3.22Å; L454-L458 HydrophobicContact CD2-CD1 4.43Å; L454-L458 VanDerWaalsContact O-CG 3.31Å; L454-L458 WeakPolarHBondContact O-CG 3.49Å; L454-L458 PolarHBondContact O-N 2.77Å
455	F	46.4	Very low	45.1	Very low	43 Å²	43	72.9 Å²	72.9	19%	0.189	35%	0.354	C	S	.	.	H	α-helix	trans	-71	-42.9	179.2	-169.4	-111.2	0	0	0	112.9	I361 L365 L451 A452 Y453 H457 L458 I459	I361-F455 HydrophobicContact CG2-CD2 4.49Å; I361-F455 HydrophobicContact CG2-CE1 4.12Å; I361-F455 HydrophobicContact CG2-CE2 3.75Å; I361-F455 HydrophobicContact CG2-CZ 3.54Å; L365-F455 HydrophobicContact CD1-CD2 3.33Å; L365-F455 HydrophobicContact CD1-CE2 3.76Å; L365-F455 HydrophobicContact CD1-CG 4.35Å; L451-F455 PolarHBondContact O-N 3.02Å; A452-F455 PolarHBondContact O-N 3.42Å; Y453-F455 VanDerWaalsContact C-N 3.27Å; Y453-F455 PolarHBondContact O-N 2.94Å; F455-H457 VanDerWaalsContact C-N 3.27Å; F455-H457 PolarHBondContact O-N 3.1Å; F455-L458 WeakPolarHBondContact O-CB 3.39Å; F455-L458 PolarHBondContact O-N 3.04Å; F455-I459 HydrophobicContact CD1-CD1 3.68Å; F455-I459 HydrophobicContact CD1-CG1 4.42Å; F455-I459 HydrophobicContact CE1-CD1 3.26Å; F455-I459 HydrophobicContact CE1-CG1 4.14Å; F455-I459 HydrophobicContact CZ-CD1 3.81Å; F455-I459 HydrophobicContact CZ-CG1 4.3Å; F455-I459 WeakPolarHBondContact O-CG1 3.47Å; F455-I459 PolarHBondContact O-N 2.98Å
456	Q	44.4	Very low	44.3	Very low	77 Å²	77	74.5 Å²	74.5	36%	0.36	36%	0.361	S	S	.	.	H	α-helix	trans	-61.7	-39.1	175.5	-170	64.2	34.6	0	0	110.8	A452 Y453 L458 I459 D460	A452-Q456 WeakPolarHBondContact O-CB 3.29Å; A452-Q456 PolarHBondContact O-N 3.44Å; Y453-Q456 PolarHBondContact O-N 2.84Å; Q456-L458 PolarHBondContact O-N 2.98Å; Q456-I459 PolarHBondContact O-N 3.24Å; Q456-D460 PolarHBondContact NE2-OD1 3.44Å; Q456-D460 WeakPolarHBondContact O-CB 3.24Å; Q456-D460 PolarHBondContact O-N 3.24Å
457	H	50.3	Low	43.5	Very low	66 Å²	66	75.8 Å²	75.8	31%	0.306	37%	0.369	S	S	.	.	H	α-helix	trans	-66.7	-36.2	176.2	-163.9	-81.1	0	0	0	112.7	Y453 F455 Q461	Y453-H457 VanDerWaalsContact O-CB 3.3Å; Y453-H457 WeakPolarHBondContact O-CB 3.22Å; Y453-H457 PolarHBondContact O-N 3.02Å; F455-H457 VanDerWaalsContact C-N 3.27Å; F455-H457 PolarHBondContact O-N 3.1Å; H457-Q461 PolarHBondContact CE1-NE2 3.24Å; H457-Q461 WeakPolarHBondContact O-CB 3.49Å; H457-Q461 WeakPolarHBondContact O-CG 2.97Å; H457-Q461 PolarHBondContact O-N 3.06Å
458	L	44.9	Very low	42.4	Very low	60 Å²	60	75.8 Å²	75.8	31%	0.314	37%	0.374	S	S	.	.	H	α-helix	trans	-64.4	-43.3	172.3	-74	169.3	0	0	0	111.6	L381 L454 F455 Q456 S462	L381-L458 HydrophobicContact CD2-CD2 3.55Å; L454-L458 HydrophobicContact CD2-CD1 4.43Å; L454-L458 VanDerWaalsContact O-CG 3.31Å; L454-L458 WeakPolarHBondContact O-CG 3.49Å; L454-L458 PolarHBondContact O-N 2.77Å; F455-L458 WeakPolarHBondContact O-CB 3.39Å; F455-L458 PolarHBondContact O-N 3.04Å; Q456-L458 PolarHBondContact O-N 2.98Å; L458-S462 WeakPolarHBondContact O-CB 3.32Å; L458-S462 PolarHBondContact O-N 3.44Å; L458-S462 PolarHBondContact O-OG 3.37Å
459	I	44.7	Very low	41.7	Very low	51 Å²	51	76.8 Å²	76.8	26%	0.262	38%	0.381	S	S	.	.	H	α-helix	trans	-63.7	-51.3	175.4	-72.3	176.1	0	0	0	110	F455 Q456 Q461 S462 I463	F455-I459 HydrophobicContact CD1-CD1 3.68Å; F455-I459 HydrophobicContact CD1-CG1 4.42Å; F455-I459 HydrophobicContact CE1-CD1 3.26Å; F455-I459 HydrophobicContact CE1-CG1 4.14Å; F455-I459 HydrophobicContact CZ-CD1 3.81Å; F455-I459 HydrophobicContact CZ-CG1 4.3Å; F455-I459 WeakPolarHBondContact O-CG1 3.47Å; F455-I459 PolarHBondContact O-N 2.98Å; Q456-I459 PolarHBondContact O-N 3.24Å; I459-Q461 VanDerWaalsContact C-N 3.34Å; I459-Q461 PolarHBondContact O-N 2.92Å; I459-S462 CarbonylContact O-C 3.54Å; I459-S462 WeakPolarHBondContact O-CA 3.37Å; I459-S462 WeakPolarHBondContact O-CB 3.22Å; I459-S462 PolarHBondContact O-N 3.45Å; I459-S462 PolarHBondContact O-OG 2.96Å; I459-I463 HydrophobicContact CG2-CD1 3.37Å; I459-I463 HydrophobicContact CG2-CG1 4.06Å; I459-I463 WeakPolarHBondContact O-CB 3.41Å; I459-I463 WeakPolarHBondContact O-CG1 3.42Å; I459-I463 PolarHBondContact O-N 2.71Å
460	D	44.1	Very low	40.9	Very low	58 Å²	58	78.8 Å²	78.8	31%	0.31	39%	0.393	S	S	.	.	H	α-helix	trans	-61.7	-42.1	-176.9	-70.4	-14.8	0	0	0	110.5	Q456 S462 I463 F464	Q456-D460 PolarHBondContact NE2-OD1 3.44Å; Q456-D460 WeakPolarHBondContact O-CB 3.24Å; Q456-D460 PolarHBondContact O-N 3.24Å; D460-S462 PolarHBondContact O-N 3.22Å; D460-I463 PolarHBondContact O-N 2.96Å; D460-F464 VanDerWaalsContact O-CB 3.26Å; D460-F464 WeakPolarHBondContact O-CB 3.23Å; D460-F464 PolarHBondContact O-N 3.21Å
461	Q	41.7	Very low	40.3	Very low	70 Å²	70	81.9 Å²	81.9	33%	0.327	41%	0.41	S	S	.	.	H	α-helix	trans	-64.7	-36.6	173.5	-76.7	-165.9	-11.7	0	0	113.2	H457 I459 K465	H457-Q461 PolarHBondContact CE1-NE2 3.24Å; H457-Q461 WeakPolarHBondContact O-CB 3.49Å; H457-Q461 WeakPolarHBondContact O-CG 2.97Å; H457-Q461 PolarHBondContact O-N 3.06Å; I459-Q461 VanDerWaalsContact C-N 3.34Å; I459-Q461 PolarHBondContact O-N 2.92Å; Q461-K465 PolarHBondContact O-N 3.46Å
462	S	38.8	Very low	39.4	Very low	69 Å²	69	84.6 Å²	84.6	48%	0.483	42%	0.424	S	S	.	.	H	α-helix	trans	-67.9	-39	175.7	79	0	0	0	0	112.2	L458 I459 D460 K466	L458-S462 WeakPolarHBondContact O-CB 3.32Å; L458-S462 PolarHBondContact O-N 3.44Å; L458-S462 PolarHBondContact O-OG 3.37Å; I459-S462 CarbonylContact O-C 3.54Å; I459-S462 WeakPolarHBondContact O-CA 3.37Å; I459-S462 WeakPolarHBondContact O-CB 3.22Å; I459-S462 PolarHBondContact O-N 3.45Å; I459-S462 PolarHBondContact O-OG 2.96Å; D460-S462 PolarHBondContact O-N 3.22Å; S462-K466 WeakPolarHBondContact O-CB 2.97Å; S462-K466 PolarHBondContact O-N 2.73Å
463	I	39.7	Very low	38.5	Very low	82 Å²	82	86 Å²	86	42%	0.421	43%	0.429	S	S	.	.	H	α-helix	trans	-77.1	-42.1	-179.2	-66.1	177	0	0	0	110.7	I459 D460 K465 K466 N467	I459-I463 HydrophobicContact CG2-CD1 3.37Å; I459-I463 HydrophobicContact CG2-CG1 4.06Å; I459-I463 WeakPolarHBondContact O-CB 3.41Å; I459-I463 WeakPolarHBondContact O-CG1 3.42Å; I459-I463 PolarHBondContact O-N 2.71Å; D460-I463 PolarHBondContact O-N 2.96Å; I463-K465 VanDerWaalsContact C-N 3.27Å; I463-K465 PolarHBondContact O-N 3.46Å; I463-K466 PolarHBondContact O-N 2.8Å; I463-N467 WeakPolarHBondContact O-CB 3.29Å; I463-N467 PolarHBondContact O-N 3.45Å
464	F	32.7	Very low	37.2	Very low	164 Å²	164	85.3 Å²	85.3	72%	0.719	44%	0.435	S	S	*	.	H	α-helix	trans	-60.7	-37.9	177.9	-127	-89.9	0	0	0	111.4	D460 M468	D460-F464 VanDerWaalsContact O-CB 3.26Å; D460-F464 WeakPolarHBondContact O-CB 3.23Å; D460-F464 PolarHBondContact O-N 3.21Å; F464-M468 PolarHBondContact O-N 3.35Å; F464-M468 VanDerWaalsContact O-N 3.14Å
465	K	34.4	Very low	36	Very low	138 Å²	138	90.9 Å²	90.9	60%	0.6	46%	0.457	S	S	*	.	H	α-helix	trans	-79.4	-33.6	175.3	-86.6	-176.2	177.5	176.9	0	113.6	Q461 I463 N467 M468 T469	Q461-K465 PolarHBondContact O-N 3.46Å; I463-K465 VanDerWaalsContact C-N 3.27Å; I463-K465 PolarHBondContact O-N 3.46Å; K465-N467 VanDerWaalsContact C-N 3.25Å; K465-N467 PolarHBondContact O-N 3.04Å; K465-M468 PolarHBondContact O-N 3.16Å; K465-M468 VanDerWaalsContact O-N 3.14Å; K465-T469 PolarHBondContact O-N 2.98Å; K465-T469 PolarHBondContact O-OG1 3.15Å
466	K	33.6	Very low	35	Very low	147 Å²	147	96.6 Å²	96.6	64%	0.639	49%	0.486	S	S	*	.	H	α-helix	trans	-60.8	-36.6	170.3	-109.3	-176.5	177.7	-179.8	0	112	S462 I463 T469 N470	S462-K466 WeakPolarHBondContact O-CB 2.97Å; S462-K466 PolarHBondContact O-N 2.73Å; I463-K466 PolarHBondContact O-N 2.8Å; K466-T469 VanDerWaalsContact CA-OG1 3.3Å; K466-T469 WeakPolarHBondContact CA-OG1 3.47Å; K466-T469 PolarHBondContact O-N 3.22Å; K466-T469 PolarHBondContact O-OG1 2.94Å; K466-N470 WeakPolarHBondContact O-CB 3.3Å; K466-N470 PolarHBondContact O-N 3.44Å
467	N	33.6	Very low	34.1	Very low	91 Å²	91	100.7 Å²	100.7	49%	0.487	51%	0.507	S	S	.	.	H	α-helix	trans	-70.5	-35.6	173.8	-78.4	-9.7	0	0	0	112.2	I463 K465 N470 I471	I463-N467 WeakPolarHBondContact O-CB 3.29Å; I463-N467 PolarHBondContact O-N 3.45Å; K465-N467 VanDerWaalsContact C-N 3.25Å; K465-N467 PolarHBondContact O-N 3.04Å; N467-N470 PolarHBondContact O-N 3.16Å; N467-I471 WeakPolarHBondContact O-CB 3.37Å; N467-I471 WeakPolarHBondContact O-CD1 3.24Å; N467-I471 WeakPolarHBondContact O-CG1 3.33Å; N467-I471 PolarHBondContact O-N 2.96Å
468	M	25.9	Very low	32.9	Very low	110 Å²	110	105 Å²	105	54%	0.542	53%	0.531	S	S	.	.	H	α-helix	trans	-66.3	-39.8	170.2	-91.3	-69.6	-149.6	0	0	112.9	F464 K465 N470 I471 N472	F464-M468 PolarHBondContact O-N 3.35Å; F464-M468 VanDerWaalsContact O-N 3.14Å; K465-M468 PolarHBondContact O-N 3.16Å; K465-M468 VanDerWaalsContact O-N 3.14Å; M468-N470 VanDerWaalsContact C-N 3.31Å; M468-N470 PolarHBondContact O-N 3.42Å; M468-I471 PolarHBondContact O-N 3.47Å; M468-N472 WeakPolarHBondContact O-CB 3.46Å; M468-N472 PolarHBondContact O-N 3.27Å
469	T	32.5	Very low	31.8	Very low	78 Å²	78	112.2 Å²	112.2	48%	0.479	55%	0.554	S	S	.	*	H	α-helix	trans	-65.5	-37.5	173.9	53.3	0	0	0	0	111	K465 K466 N472 T473	K465-T469 PolarHBondContact O-N 2.98Å; K465-T469 PolarHBondContact O-OG1 3.15Å; K466-T469 VanDerWaalsContact CA-OG1 3.3Å; K466-T469 WeakPolarHBondContact CA-OG1 3.47Å; K466-T469 PolarHBondContact O-N 3.22Å; K466-T469 PolarHBondContact O-OG1 2.94Å; T469-N472 PolarHBondContact O-N 2.63Å; T469-T473 WeakPolarHBondContact O-CG2 3.2Å; T469-T473 PolarHBondContact O-N 3.43Å; T469-T473 PolarHBondContact O-OG1 2.91Å
470	N	30.2	Very low	30.8	Very low	90 Å²	90	116.2 Å²	116.2	48%	0.481	58%	0.576	S	S	.	*	H	α-helix	trans	-72.7	-31.2	176.1	-81.6	-0.8	0	0	0	113.8	K466 N467 M468 T473 T474	K466-N470 WeakPolarHBondContact O-CB 3.3Å; K466-N470 PolarHBondContact O-N 3.44Å; N467-N470 PolarHBondContact O-N 3.16Å; M468-N470 VanDerWaalsContact C-N 3.31Å; M468-N470 PolarHBondContact O-N 3.42Å; N470-T473 VanDerWaalsContact CA-OG1 3.31Å; N470-T473 WeakPolarHBondContact CA-OG1 3.48Å; N470-T473 PolarHBondContact O-OG1 3.32Å; N470-T474 WeakPolarHBondContact O-CB 3.49Å; N470-T474 VanDerWaalsContact O-CG2 3.27Å; N470-T474 WeakPolarHBondContact O-CG2 3.14Å; N470-T474 PolarHBondContact O-N 3.05Å; N470-T474 PolarHBondContact O-OG1 3.05Å
471	I	31.8	Very low	29.8	Very low	90 Å²	90	120.4 Å²	120.4	46%	0.462	60%	0.598	S	S	.	*	H	α-helix	trans	-73.8	-33.6	174.5	-68.8	162.8	0	0	0	110.7	N467 M468 T474 K475	N467-I471 WeakPolarHBondContact O-CB 3.37Å; N467-I471 WeakPolarHBondContact O-CD1 3.24Å; N467-I471 WeakPolarHBondContact O-CG1 3.33Å; N467-I471 PolarHBondContact O-N 2.96Å; M468-I471 PolarHBondContact O-N 3.47Å; I471-T474 WeakPolarHBondContact CA-OG1 3.46Å; I471-T474 PolarHBondContact O-OG1 3.17Å; I471-K475 PolarHBondContact O-N 2.75Å
472	N	29.3	Very low	28.9	Very low	102 Å²	102	125.1 Å²	125.1	55%	0.545	62%	0.62	S	S	.	*	H	α-helix	trans	-74.6	-32.4	174.2	-74.8	-9	0	0	0	112.6	M468 T469 M476	M468-N472 WeakPolarHBondContact O-CB 3.46Å; M468-N472 PolarHBondContact O-N 3.27Å; T469-N472 PolarHBondContact O-N 2.63Å; N472-M476 PolarHBondContact O-N 3.07Å
473	T	27.8	Very low	28.1	Very low	67 Å²	67	128.2 Å²	128.2	41%	0.411	63%	0.631	S	S	.	*	H	α-helix	trans	-78.3	-33.7	174.3	53.5	0	0	0	0	113	T469 N470 K475 M476 M477	T469-T473 WeakPolarHBondContact O-CG2 3.2Å; T469-T473 PolarHBondContact O-N 3.43Å; T469-T473 PolarHBondContact O-OG1 2.91Å; N470-T473 VanDerWaalsContact CA-OG1 3.31Å; N470-T473 WeakPolarHBondContact CA-OG1 3.48Å; N470-T473 PolarHBondContact O-OG1 3.32Å; T473-K475 VanDerWaalsContact C-N 3.32Å; T473-K475 PolarHBondContact O-N 3.29Å; T473-M476 CarbonylContact O-C 3.56Å; T473-M476 PolarHBondContact O-N 3.49Å; T473-M477 PolarHBondContact O-N 3.36Å
474	T	27	Very low	27.3	Very low	81 Å²	81	130.3 Å²	130.3	50%	0.497	64%	0.643	S	S	.	*	H	α-helix	trans	-70	-26.7	174.3	47.5	0	0	0	0	113	N470 I471 M476	N470-T474 WeakPolarHBondContact O-CB 3.49Å; N470-T474 VanDerWaalsContact O-CG2 3.27Å; N470-T474 WeakPolarHBondContact O-CG2 3.14Å; N470-T474 PolarHBondContact O-N 3.05Å; N470-T474 PolarHBondContact O-OG1 3.05Å; I471-T474 WeakPolarHBondContact CA-OG1 3.46Å; I471-T474 PolarHBondContact O-OG1 3.17Å; T474-M476 VanDerWaalsContact C-N 3.28Å
475	K	22.6	Very low	26.8	Very low	174 Å²	174	132.1 Å²	132.1	76%	0.757	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-18.2	167.3	-79.6	-175.9	177.4	-179.7	0	113.9	I471 T473	I471-K475 PolarHBondContact O-N 2.75Å; T473-K475 VanDerWaalsContact C-N 3.32Å; T473-K475 PolarHBondContact O-N 3.29Å
476	M	25.1	Very low	26.2	Very low	164 Å²	164	133 Å²	133	81%	0.808	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-12.7	178.9	-101.4	-177.4	166.5	0	0	114.4	N472 T473 T474	N472-M476 PolarHBondContact O-N 3.07Å; T473-M476 CarbonylContact O-C 3.56Å; T473-M476 PolarHBondContact O-N 3.49Å; T474-M476 VanDerWaalsContact C-N 3.28Å
477	M	24.7	Very low	25.6	Very low	163 Å²	163	130.7 Å²	130.7	80%	0.803	65%	0.654	S	S	*	*	S	Bend	trans	-110.5	11.7	-177.5	-73	-174.3	168.6	0	0	115.4	T473 R479	T473-M477 PolarHBondContact O-N 3.36Å; M477-R479 PolarHBondContact O-N 3.4Å
478	I	26.6	Very low	25.1	Very low	156 Å²	156	132.1 Å²	132.1	80%	0.8	67%	0.666	S	S	*	*	S	Bend	trans	-92.2	32.8	166.4	-56.4	171.2	0	0	0	110.6
479	R	21.8	Very low	24.9	Very low	211 Å²	211	134.3 Å²	134.3	80%	0.796	68%	0.68	S	S	*	*			trans	-138.6	119	174.4	-124.1	178	-177.1	173.9	-0.1	109.1	M477	M477-R479 PolarHBondContact O-N 3.4Å
480	N	23.7	Very low	24.3	Very low	135 Å²	135	133.6 Å²	133.6	72%	0.722	69%	0.688	S	S	*	*			trans	84.6	127.8	169.9	-45.6	-1.1	0	0	0	113.8
481	D	22.8	Very low	23.8	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	70%	0.701	S	S	*	*			cis	-157.9	152.1	-5	-98.6	-37.7	0	0	0	108
482	H	21.3	Very low	23.3	Very low	169 Å²	169	140.8 Å²	140.8	78%	0.782	72%	0.72	S	S	*	*			trans	-65.1	147.9	169.4	-79.1	-91.3	0	0	0	112.1
483	D	22.2	Very low	22.9	Very low	133 Å²	133	140.5 Å²	140.5	71%	0.711	73%	0.726	S	S	*	*				156.8	154.1	110.6	-89.8	-36.5	0	0	0	114.6
484	D	23.6	Very low	22.7	Very low	127 Å²	127	143.9 Å²	143.9	68%	0.679	75%	0.746	S	S	*	*			trans	85.2	96.5	167.2	-60.1	-29.4	0	0	0	118.9
485	R	22.1	Very low	22.4	Very low	201 Å²	201	146.3 Å²	146.3	76%	0.758	76%	0.756	S	S	*	*				69.3	135.6	73.9	-69.9	178.1	-174.8	-169.9	4.8	111.5
486	Q	22.9	Very low	22.3	Very low	157 Å²	157	147.1 Å²	147.1	73%	0.734	76%	0.76	S	S	*	*			cis	-169.6	130.3	16.2	-109.5	164.8	-0.2	0	0	105.6
487	S	20.3	Very low	22.3	Very low	98 Å²	98	144.2 Å²	144.2	69%	0.685	75%	0.753	S	S	*	*				45.7	121.5	106.9	70.2	0	0	0	0	118.2
488	T	22.6	Very low	22.1	Very low	122 Å²	122	146.7 Å²	146.7	75%	0.748	76%	0.759	S	S	*	*				-168.4	125.6	122	36.5	0	0	0	0	111.6
489	D	21.8	Very low	21.8	Very low	155 Å²	155	145.3 Å²	145.3	83%	0.829	75%	0.754	S	S	*	*			trans	50.6	131.7	135.8	-48.7	-27.4	0	0	0	120.8
490	G	19.7	Very low	21.8	Very low	64 Å²	64	141.3 Å²	141.3	66%	0.66	75%	0.748	S	S	*	*			cis	103.9	118.1	23.4	0	0	0	0	0	111.3
491	I	20.7	Very low	21.7	Very low	147 Å²	147	143 Å²	143	75%	0.754	76%	0.757	S	S	*	*			trans	92.1	105.9	159.3	-49.2	162.1	0	0	0	117.2
492	H	22	Very low	21.7	Very low	183 Å²	183	142.4 Å²	142.4	85%	0.847	75%	0.754	S	S	*	*				-150.6	98.5	119.7	-103.2	-60.2	0	0	0	110.7
493	S	19.9	Very low	21.7	Very low	97 Å²	97	141.3 Å²	141.3	68%	0.678	75%	0.754	S	S	*	*			trans	-92.8	120.6	158.8	52.8	0	0	0	0	108.4
494	V	23.9	Very low	21.7	Very low	138 Å²	138	142.1 Å²	142.1	84%	0.836	76%	0.759	S	S	*	*			trans	-122.2	126.5	157	176.2	0	0	0	0	108.1
495	N	20.3	Very low	21.7	Very low	132 Å²	132	144 Å²	144	71%	0.706	77%	0.766	S	S	*	*			trans	-91.4	154.8	-171.7	-102.9	-30.5	0	0	0	110.9
496	K	21.4	Very low	21.7	Very low	191 Å²	191	143.8 Å²	143.8	83%	0.83	77%	0.774	S	S	*	*			trans	90.4	153.3	136.3	-83.1	-173.4	175.4	-178.7	0	120.6
497	P	25	Very low	21.6	Very low	102 Å²	102	145.3 Å²	145.3	66%	0.662	78%	0.778	S	S	*	*			trans	-117.4	165.4	-138.4	41.1	-27.8	0	0	0	113.1
498	F	20.1	Very low	21.7	Very low	215 Å²	215	150.1 Å²	150.1	94%	0.943	79%	0.787	S	S	*	*			trans	-93.8	124	167	-88.5	-88	0	0	0	110.5
499	N	19.9	Very low	21.6	Very low	127 Å²	127	153.2 Å²	153.2	68%	0.679	79%	0.793	S	S	*	*			trans	-79.4	156.4	171.7	-96.2	14.9	0	0	0	111.6
500	D	21.4	Very low	21.6	Very low	128 Å²	128	151.7 Å²	151.7	68%	0.684	79%	0.794	S	S	*	*			trans	48.9	103.8	141.2	-54.8	-30.8	0	0	0	119.1
501	D	23	Very low	21.6	Very low	170 Å²	170	158 Å²	158	91%	0.909	80%	0.804	S	S	*	*			trans	-143.6	136.6	135.3	-95.2	-35.2	0	0	0	110.2
502	N	21.8	Very low	21.5	Very low	135 Å²	135	159.6 Å²	159.6	72%	0.722	81%	0.81	S	S	*	*			trans	-78.9	155.6	-167.1	-76.5	-46.4	0	0	0	114.4
503	D	21.4	Very low	21.4	Very low	146 Å²	146	161.9 Å²	161.9	78%	0.781	81%	0.813	S	S	*	*			trans	63.6	141.4	140.5	-64.4	-30.4	0	0	0	121.8
504	D	22.4	Very low	21.4	Very low	150 Å²	150	166.2 Å²	166.2	80%	0.802	82%	0.823	S	S	*	*			trans	72.1	82.1	171.4	-68.5	-23.9	0	0	0	117.6
505	I	23.9	Very low	21.2	Very low	165 Å²	165	167.1 Å²	167.1	85%	0.846	82%	0.823	S	S	*	*				-168.2	69.7	122.2	-82	142.4	0	0	0	107.3
506	Q	21.7	Very low	21.2	Very low	197 Å²	197	164.9 Å²	164.9	92%	0.921	82%	0.817	S	S	*	*			trans	-110.9	60.6	158.2	-85	-163.9	-4.4	0	0	109.7
507	K	21.2	Very low	21.2	Very low	189 Å²	189	161.7 Å²	161.7	82%	0.822	82%	0.819	S	S	*	*			trans	-147.3	120.8	161.1	-78.1	-174.8	-179.8	160.8	0	108.6
508	K	20.8	Very low	21.1	Very low	199 Å²	199	163.5 Å²	163.5	87%	0.865	82%	0.821	S	S	*	*	S	Bend	trans	86	93.8	-172	-55.2	171.7	178.7	178	0	110.8
509	Q	22.1	Very low	21.2	Very low	188 Å²	188	160.5 Å²	160.5	88%	0.879	81%	0.814	S	S	*	*	S	Bend		-169.3	32.1	63.4	-98.6	171.3	-8.1	0	0	112.7	K511	Q509-K511 VanDerWaalsContact C-N 3.33Å; Q509-K511 PolarHBondContact O-N 3.18Å
510	S	20.8	Very low	21.2	Very low	122 Å²	122	162.3 Å²	162.3	85%	0.853	82%	0.823	S	S	*	*	S	Bend	trans	-93.7	59	166.9	52.3	0	0	0	0	111.5
511	K	19.4	Very low	21.2	Very low	197 Å²	197	160.6 Å²	160.6	86%	0.857	82%	0.821	S	S	*	*			trans	-144.7	66.6	161.3	-78.6	-165.2	178.2	-177.5	0	109.3	Q509	Q509-K511 VanDerWaalsContact C-N 3.33Å; Q509-K511 PolarHBondContact O-N 3.18Å
512	M	19.4	Very low	21	Very low	181 Å²	181	159.7 Å²	159.7	89%	0.892	82%	0.816	S	S	*	*	S	Bend	trans	-146.9	55	156.4	-89.9	-147.1	158	0	0	109.1
513	Y	19.4	Very low	21.1	Very low	230 Å²	230	160.6 Å²	160.6	90%	0.902	82%	0.819	S	S	*	*	S	Bend	trans	-145	136.5	147.2	-88.7	-80.8	0	0	0	104.7
514	E	19.6	Very low	20.9	Very low	189 Å²	189	161.8 Å²	161.8	88%	0.883	82%	0.82	S	S	*	*			trans	83.9	75.4	-169.9	-53.9	-175.6	174.4	0	0	115.5
515	N	20.4	Very low	20.8	Very low	157 Å²	157	163 Å²	163	84%	0.84	82%	0.815	S	S	*	*			trans	-142.7	119.7	136.4	-101	-15.9	0	0	0	108.5
516	S	21	Very low	20.6	Very low	84 Å²	84	162.1 Å²	162.1	59%	0.587	81%	0.811	S	S	*	*			trans	60.1	115.8	160.6	61.7	0	0	0	0	116.6	I518	S516-I518 VanDerWaalsContact C-N 3.28Å
517	S	21.3	Very low	20.5	Very low	124 Å²	124	159 Å²	159	87%	0.867	81%	0.806	S	S	*	*			cis	39.7	44.2	25.1	70.9	0	0	0	0	114.9
518	I	22.1	Very low	20.5	Very low	140 Å²	140	154.2 Å²	154.2	72%	0.718	80%	0.797	S	S	*	*			trans	-153.1	94.4	147.8	-75.2	117.6	0	0	0	105	S516	S516-I518 VanDerWaalsContact C-N 3.28Å
519	I	22.7	Very low	20.6	Very low	153 Å²	153	155.6 Å²	155.6	79%	0.785	80%	0.796	S	S	*	*				-171.5	58.8	127.1	-77.1	146.8	0	0	0	103.9
520	D	19.1	Very low	20.6	Very low	164 Å²	164	154.3 Å²	154.3	88%	0.877	79%	0.794	S	S	*	*			trans	-92.3	94.7	143.6	-93.7	-32.9	0	0	0	104.5
521	S	20.8	Very low	20.7	Very low	92 Å²	92	153.7 Å²	153.7	64%	0.643	79%	0.787	S	S	*	*			trans	164.9	138.4	149.2	49.3	0	0	0	0	109.8
522	L	20.8	Very low	20.7	Very low	152 Å²	152	155.4 Å²	155.4	80%	0.796	79%	0.788	S	S	*	*	S	Bend	trans	73.1	106.5	-178.5	-71.5	103.5	0	0	0	113.7
523	I	21.8	Very low	20.9	Very low	153 Å²	153	152.4 Å²	152.4	79%	0.785	78%	0.782	S	S	*	*			cis	-150.3	112.5	37.9	-74.9	116.3	0	0	0	109.5
524	Q	18.1	Very low	21.1	Very low	172 Å²	172	148.5 Å²	148.5	80%	0.804	78%	0.775	S	S	*	*			trans	-94.2	130.7	155.1	-137	179.5	-9	0	0	106.9
525	Y	20	Very low	21.3	Very low	176 Å²	176	147.3 Å²	147.3	69%	0.69	77%	0.774	S	S	*	*			trans	61.8	116.3	170.9	-70.2	-82.3	0	0	0	119.5
526	N	20.6	Very low	21.5	Very low	145 Å²	145	146.7 Å²	146.7	78%	0.775	77%	0.769	S	S	*	*				-160.9	105.4	115.3	-97.6	-28.5	0	0	0	112.5	S528	N526-S528 VanDerWaalsContact C-N 3.3Å; N526-S528 PolarHBondContact O-N 2.89Å
527	T	19.4	Very low	21.7	Very low	131 Å²	131	149.7 Å²	149.7	80%	0.804	78%	0.779	S	S	*	*			trans	-65.9	84.9	153	37.2	0	0	0	0	109.3
528	S	22	Very low	22.1	Very low	90 Å²	90	153.5 Å²	153.5	63%	0.629	78%	0.78	S	S	*	*			trans	-176.7	147	148.4	52.8	0	0	0	0	111.4	N526	N526-S528 VanDerWaalsContact C-N 3.3Å; N526-S528 PolarHBondContact O-N 2.89Å
529	R	21.9	Very low	22.5	Very low	228 Å²	228	156 Å²	156	86%	0.86	79%	0.786	S	S	*	*			trans	83.5	75	177.9	-55.9	-175.7	-172.6	-174.2	3.1	115	P531	R529-P531 VanDerWaalsContact O-CD 3.31Å; R529-P531 WeakPolarHBondContact O-CD 3.21Å
530	I	22.3	Very low	22.9	Very low	160 Å²	160	154.1 Å²	154.1	82%	0.821	78%	0.781	S	S	*	*			trans	-41.8	114.9	131.1	-63.1	166.1	0	0	0	107.3	R532	I530-R532 PolarHBondContact O-N 3.49Å; I530-R532 VanDerWaalsContact O-N 3.13Å
531	P	21.9	Very low	23.2	Very low	110 Å²	110	155.3 Å²	155.3	71%	0.714	78%	0.775	S	S	*	*			trans	-67.9	113.9	174.2	25.7	-28.5	0	0	0	107.5	R529 P533	R529-P531 VanDerWaalsContact O-CD 3.31Å; R529-P531 WeakPolarHBondContact O-CD 3.21Å; P531-P533 VanDerWaalsContact O-CD 3.26Å; P531-P533 WeakPolarHBondContact O-CD 3.28Å
532	R	19.5	Very low	23.6	Very low	233 Å²	233	154.8 Å²	154.8	88%	0.879	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-60.5	117.5	166.2	-76.8	178.6	174.5	163.7	-2	107.3	I530 I534	I530-R532 PolarHBondContact O-N 3.49Å; I530-R532 VanDerWaalsContact O-N 3.13Å; R532-I534 PolarHBondContact O-N 3.1Å
533	P	24.2	Very low	24.2	Very low	118 Å²	118	151.7 Å²	151.7	77%	0.766	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-65.8	130	169.5	26.7	-29.9	0	0	0	107.9	P531 L535	P531-P533 VanDerWaalsContact O-CD 3.26Å; P531-P533 WeakPolarHBondContact O-CD 3.28Å; P533-L535 PolarHBondContact O-N 3.2Å
534	I	24.2	Very low	24.6	Very low	147 Å²	147	149.5 Å²	149.5	75%	0.754	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-51	128.5	175.2	-64.5	160.3	0	0	0	108	R532 I536	R532-I534 PolarHBondContact O-N 3.1Å; I534-I536 VanDerWaalsContact C-N 3.33Å; I534-I536 HydrophobicContact CG2-CD1 4.28Å; I534-I536 HydrophobicContact CG2-CG1 3.94Å; I534-I536 PolarHBondContact O-N 3.23Å
535	L	22.8	Very low	25.3	Very low	165 Å²	165	144.9 Å²	144.9	86%	0.864	74%	0.735	S	S	*	*			trans	-65	87.8	-179.6	-145.5	106.3	0	0	0	108.9	P533	P533-L535 PolarHBondContact O-N 3.2Å
536	I	26	Very low	25.8	Very low	144 Å²	144	141 Å²	141	74%	0.738	73%	0.726	S	S	*	*			trans	-109.3	108.2	171.8	-57.2	179.7	0	0	0	108.2	I534	I534-I536 VanDerWaalsContact C-N 3.33Å; I534-I536 HydrophobicContact CG2-CD1 4.28Å; I534-I536 HydrophobicContact CG2-CG1 3.94Å; I534-I536 PolarHBondContact O-N 3.23Å
537	N	24.8	Very low	26.3	Very low	147 Å²	147	136.8 Å²	136.8	79%	0.786	71%	0.708	S	S	*	*			trans	40.4	96.7	165.9	-84.8	-14.2	0	0	0	119.3	K539	N537-K539 VanDerWaalsContact C-N 3.28Å; N537-K539 PolarHBondContact O-N 3.46Å
538	K	29.1	Very low	26.8	Very low	203 Å²	203	134 Å²	134	88%	0.883	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	41.1	179.4	-138.8	178.8	-169.1	-178.1	0	115.1
539	K	30.7	Very low	27.3	Very low	194 Å²	194	134.1 Å²	134.1	84%	0.843	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.9	2.1	-178.7	-84.9	-169.8	178.3	-179.4	0	119	N537	N537-K539 VanDerWaalsContact C-N 3.28Å; N537-K539 PolarHBondContact O-N 3.46Å
540	T	31.5	Very low	27.6	Very low	112 Å²	112	130.8 Å²	130.8	69%	0.687	68%	0.675	S	S	*	*	S	Bend	trans	-130.9	4.3	-176.1	24.1	0	0	0	0	118.3
541	Y	25.8	Very low	28	Very low	190 Å²	190	127.4 Å²	127.4	75%	0.745	66%	0.657	S	S	*	*	S	Bend	trans	-127.2	11.2	176.8	-84.4	-79.5	0	0	0	116.9
542	S	28.4	Very low	28.6	Very low	80 Å²	80	126.1 Å²	126.1	56%	0.559	64%	0.643	S	S	*	*	H	α-helix	trans	-83.1	-9.4	174	58.9	0	0	0	0	114.7	N546	S542-N546 PolarHBondContact O-ND2 3.33Å
543	S	33.4	Very low	29.1	Very low	87 Å²	87	119.5 Å²	119.5	61%	0.608	62%	0.622	S	S	*	*	H	α-helix	trans	-82.1	-35.8	177.8	56.6	0	0	0	0	112.6	S547	S543-S547 PolarHBondContact O-N 2.86Å; S543-S547 PolarHBondContact O-OG 3.18Å
544	L	30.4	Very low	29.7	Very low	108 Å²	108	116.2 Å²	116.2	57%	0.565	60%	0.602	S	S	*	*	H	α-helix	trans	-81.6	-30.4	-172.2	-152.9	71.4	0	0	0	113.5	S547 T548	L544-S547 PolarHBondContact O-OG 3.34Å; L544-S547 VanDerWaalsContact O-OG 3.12Å; L544-T548 PolarHBondContact O-N 3.07Å; L544-T548 PolarHBondContact O-OG1 3.12Å
545	T	33.1	Very low	30.6	Very low	74 Å²	74	110.7 Å²	110.7	45%	0.454	57%	0.574	S	S	.	*	H	α-helix	trans	-76	-34.3	174.7	56	0	0	0	0	111.9	T548 I549	T545-T548 WeakPolarHBondContact CA-OG1 3.47Å; T545-T548 PolarHBondContact O-OG1 3.43Å; T545-T548 VanDerWaalsContact O-OG1 3.11Å; T545-I549 WeakPolarHBondContact O-CB 3.45Å; T545-I549 WeakPolarHBondContact O-CD1 3.25Å; T545-I549 WeakPolarHBondContact O-CG1 3.39Å; T545-I549 PolarHBondContact O-N 2.87Å
546	N	28.9	Very low	31.7	Very low	96 Å²	96	107.4 Å²	107.4	51%	0.513	55%	0.554	S	S	.	*	H	α-helix	trans	-73.7	-32.2	178.6	-78.1	-8.1	0	0	0	112.8	S542 K550	S542-N546 PolarHBondContact O-ND2 3.33Å; N546-K550 VanDerWaalsContact O-CB 3.26Å; N546-K550 WeakPolarHBondContact O-CB 3.37Å; N546-K550 WeakPolarHBondContact O-CG 3.33Å; N546-K550 PolarHBondContact O-N 3.4Å; N546-K550 VanDerWaalsContact O-N 3.12Å
547	S	32	Very low	32.6	Very low	56 Å²	56	106 Å²	106	39%	0.392	54%	0.543	S	S	.	.	H	α-helix	trans	-71.4	-39.6	174	61.4	0	0	0	0	111.8	S543 L544 M551	S543-S547 PolarHBondContact O-N 2.86Å; S543-S547 PolarHBondContact O-OG 3.18Å; L544-S547 PolarHBondContact O-OG 3.34Å; L544-S547 VanDerWaalsContact O-OG 3.12Å; S547-M551 VanDerWaalsContact O-CB 3.25Å; S547-M551 WeakPolarHBondContact O-CB 3.34Å; S547-M551 WeakPolarHBondContact O-CG 2.89Å; S547-M551 PolarHBondContact O-N 3.33Å
548	T	30.5	Very low	33.8	Very low	72 Å²	72	103.6 Å²	103.6	44%	0.442	53%	0.527	S	S	.	.	H	α-helix	trans	-70.6	-42.4	178.9	43	0	0	0	0	112.1	L544 T545 M551 I552	L544-T548 PolarHBondContact O-N 3.07Å; L544-T548 PolarHBondContact O-OG1 3.12Å; T545-T548 WeakPolarHBondContact CA-OG1 3.47Å; T545-T548 PolarHBondContact O-OG1 3.43Å; T545-T548 VanDerWaalsContact O-OG1 3.11Å; T548-M551 PolarHBondContact O-N 3.34Å; T548-I552 WeakPolarHBondContact O-CD1 3.05Å; T548-I552 VanDerWaalsContact O-CG1 3.25Å; T548-I552 WeakPolarHBondContact O-CG1 3.34Å; T548-I552 PolarHBondContact O-N 3.37Å
549	I	30.9	Very low	34.8	Very low	93 Å²	93	95.6 Å²	95.6	48%	0.477	49%	0.493	S	S	.	.	H	α-helix	trans	-70.2	-40.7	179.1	-65.8	167.4	0	0	0	111.9	T545 M551 Q553	T545-I549 WeakPolarHBondContact O-CB 3.45Å; T545-I549 WeakPolarHBondContact O-CD1 3.25Å; T545-I549 WeakPolarHBondContact O-CG1 3.39Å; T545-I549 PolarHBondContact O-N 2.87Å; I549-M551 VanDerWaalsContact C-N 3.28Å; I549-M551 PolarHBondContact O-N 3.4Å; I549-Q553 PolarHBondContact O-N 3.06Å
550	K	29.2	Very low	35.8	Very low	158 Å²	158	91.7 Å²	91.7	69%	0.687	47%	0.474	S	S	*	.	H	α-helix	trans	-66	-29.6	175.4	-78.8	-175.9	174.6	-175.4	0	113.1	N546 S554	N546-K550 VanDerWaalsContact O-CB 3.26Å; N546-K550 WeakPolarHBondContact O-CB 3.37Å; N546-K550 WeakPolarHBondContact O-CG 3.33Å; N546-K550 PolarHBondContact O-N 3.4Å; N546-K550 VanDerWaalsContact O-N 3.12Å; K550-S554 PolarHBondContact O-N 3.32Å
551	M	31.4	Very low	36.8	Very low	88 Å²	88	91.4 Å²	91.4	43%	0.433	47%	0.468	S	S	.	.	H	α-helix	trans	-85.2	-31.2	-178.6	-69	-86.8	-90.6	0	0	113.1	S547 T548 I549 Q553 S554 L771	S547-M551 VanDerWaalsContact O-CB 3.25Å; S547-M551 WeakPolarHBondContact O-CB 3.34Å; S547-M551 WeakPolarHBondContact O-CG 2.89Å; S547-M551 PolarHBondContact O-N 3.33Å; T548-M551 PolarHBondContact O-N 3.34Å; I549-M551 VanDerWaalsContact C-N 3.28Å; I549-M551 PolarHBondContact O-N 3.4Å; M551-Q553 PolarHBondContact O-N 3.33Å; M551-S554 PolarHBondContact O-N 2.68Å; M551-S554 PolarHBondContact O-OG 3.11Å; M551-L771 HydrophobicContact CE-CD1 3.6Å
552	I	34.1	Very low	38.2	Very low	84 Å²	84	82.7 Å²	82.7	43%	0.431	43%	0.434	S	S	.	.	H	α-helix	trans	-62.8	-35.1	170.7	-68.9	162.3	0	0	0	110.1	T548	T548-I552 WeakPolarHBondContact O-CD1 3.05Å; T548-I552 VanDerWaalsContact O-CG1 3.25Å; T548-I552 WeakPolarHBondContact O-CG1 3.34Å; T548-I552 PolarHBondContact O-N 3.37Å
553	Q	29.3	Very low	39.6	Very low	93 Å²	93	80.3 Å²	80.3	44%	0.435	42%	0.418	S	S	.	.	H	α-helix	trans	-67.5	-40.4	177.4	-84.1	-179.1	-18.4	0	0	113.2	I549 M551 N555 E556 F557	I549-Q553 PolarHBondContact O-N 3.06Å; M551-Q553 PolarHBondContact O-N 3.33Å; Q553-N555 VanDerWaalsContact C-N 3.34Å; Q553-N555 PolarHBondContact O-N 3.42Å; Q553-E556 PolarHBondContact O-N 3.19Å; Q553-F557 HydrophobicContact CB-CD2 3.76Å; Q553-F557 HydrophobicContact CB-CE2 3.78Å; Q553-F557 HydrophobicContact CG-CD2 4.32Å; Q553-F557 HydrophobicContact CG-CE2 3.88Å; Q553-F557 WeakPolarHBondContact O-CB 3.48Å; Q553-F557 WeakPolarHBondContact O-CD2 3.42Å; Q553-F557 PolarHBondContact O-N 3.08Å
554	S	36.4	Very low	40.8	Very low	49 Å²	49	85.6 Å²	85.6	34%	0.343	43%	0.426	S	S	.	.	H	α-helix	trans	-58.1	-39.6	-169.9	61.3	0	0	0	0	114.3	K550 M551 E558	K550-S554 PolarHBondContact O-N 3.32Å; M551-S554 PolarHBondContact O-N 2.68Å; M551-S554 PolarHBondContact O-OG 3.11Å; S554-E558 WeakPolarHBondContact O-CG 3.3Å; S554-E558 PolarHBondContact O-N 3.17Å
555	N	44.7	Very low	42.9	Very low	32 Å²	32	84 Å²	84	17%	0.171	41%	0.414	C	S	.	.	H	α-helix	trans	-81	-34.4	-178.8	-73.1	14.7	0	0	0	113.1	Q553 F557 E558 M559 R768 N769	Q553-N555 VanDerWaalsContact C-N 3.34Å; Q553-N555 PolarHBondContact O-N 3.42Å; N555-F557 VanDerWaalsContact C-N 3.29Å; N555-E558 PolarHBondContact O-N 2.98Å; N555-M559 PolarHBondContact O-N 2.93Å; N555-M559 VanDerWaalsContact O-N 3.11Å; N555-R768 PolarHBondContact ND2-O 3.36Å; N555-N769 WeakPolarHBondContact ND2-CA 3.26Å
556	E	45.1	Very low	45.2	Very low	96 Å²	96	84.1 Å²	84.1	45%	0.449	42%	0.415	S	S	.	.	H	α-helix	trans	-64.6	-38.5	171.2	-70.9	-172.4	168.8	0	0	110.2	Q553 Y560 R768	Q553-E556 PolarHBondContact O-N 3.19Å; E556-Y560 WeakPolarHBondContact O-CB 3.23Å; E556-Y560 PolarHBondContact O-N 3.16Å; E556-R768 IonicContact OE1-NH2 3.94Å
557	F	44.8	Very low	47.8	Very low	113 Å²	113	83.4 Å²	83.4	50%	0.496	41%	0.409	S	S	.	.	H	α-helix	trans	-68.2	-38.8	174	-84.2	-71.7	0	0	0	113.5	Q553 N555 Y560 N561	Q553-F557 HydrophobicContact CB-CD2 3.76Å; Q553-F557 HydrophobicContact CB-CE2 3.78Å; Q553-F557 HydrophobicContact CG-CD2 4.32Å; Q553-F557 HydrophobicContact CG-CE2 3.88Å; Q553-F557 WeakPolarHBondContact O-CB 3.48Å; Q553-F557 WeakPolarHBondContact O-CD2 3.42Å; Q553-F557 PolarHBondContact O-N 3.08Å; N555-F557 VanDerWaalsContact C-N 3.29Å; F557-Y560 PolarHBondContact O-N 3.49Å; F557-N561 WeakPolarHBondContact O-CB 3.07Å; F557-N561 PolarHBondContact O-N 3.48Å
558	E	49.4	Very low	50.3	Low	98 Å²	98	82.9 Å²	82.9	46%	0.458	40%	0.401	S	S	.	.	H	α-helix	trans	-60.8	-46.2	173.9	-81	-178.5	-174.3	0	0	111.4	S554 N555 Y560 N561 L562	S554-E558 WeakPolarHBondContact O-CG 3.3Å; S554-E558 PolarHBondContact O-N 3.17Å; N555-E558 PolarHBondContact O-N 2.98Å; E558-Y560 VanDerWaalsContact C-N 3.33Å; E558-Y560 PolarHBondContact O-N 3.01Å; E558-N561 PolarHBondContact O-N 3.49Å; E558-L562 WeakPolarHBondContact O-CD1 3.4Å; E558-L562 PolarHBondContact O-N 3.17Å
559	M	51.2	Low	52.9	Low	34 Å²	34	82.1 Å²	82.1	17%	0.167	39%	0.393	C	S	.	.	H	α-helix	trans	-66.3	-33.2	173.8	-70.5	-64.5	110	0	0	112.6	N555 L562 L577 M943	N555-M559 PolarHBondContact O-N 2.93Å; N555-M559 VanDerWaalsContact O-N 3.11Å; M559-L562 HydrophobicContact CE-CD1 3.2Å; M559-L562 WeakPolarHBondContact O-CB 3.42Å; M559-L562 PolarHBondContact O-N 3.37Å; M559-L562 HydrophobicContact SD-CD1 3.99Å; M559-L577 HydrophobicContact CE-CD1 4.46Å; M559-M943 HydrophobicContact SD-SD 3.72Å
560	Y	50.9	Low	55.5	Low	113 Å²	113	77.8 Å²	77.8	44%	0.443	37%	0.371	S	S	.	.	H	α-helix	trans	-66	-44.2	175.3	-133.9	-88.9	0	0	0	111.8	E556 F557 E558 L562 S563	E556-Y560 WeakPolarHBondContact O-CB 3.23Å; E556-Y560 PolarHBondContact O-N 3.16Å; F557-Y560 PolarHBondContact O-N 3.49Å; E558-Y560 VanDerWaalsContact C-N 3.33Å; E558-Y560 PolarHBondContact O-N 3.01Å; Y560-L562 PolarHBondContact O-N 3.07Å; Y560-S563 WeakPolarHBondContact O-CB 3.18Å; Y560-S563 PolarHBondContact O-N 3.48Å; Y560-S563 VanDerWaalsContact O-N 3.13Å; Y560-S563 PolarHBondContact O-OG 3.17Å
561	N	53.4	Low	58.2	Low	105 Å²	105	70.3 Å²	70.3	56%	0.561	34%	0.338	S	S	*	.	H	α-helix	trans	-64.2	-29.2	178.2	-76.7	-13.6	0	0	0	112.5	F557 E558 S563	F557-N561 WeakPolarHBondContact O-CB 3.07Å; F557-N561 PolarHBondContact O-N 3.48Å; E558-N561 PolarHBondContact O-N 3.49Å; N561-S563 VanDerWaalsContact C-N 3.32Å; N561-S563 PolarHBondContact O-N 3.25Å
562	L	53.7	Low	60.7	Low	7 Å²	7	66.4 Å²	66.4	4%	0.037	32%	0.319	C	S	.	.	H	α-helix	trans	-67.4	-27.6	174.6	-87.3	152.8	0	0	0	113.6	E558 M559 Y560 Y564 K565 Q570 D573 M943	E558-L562 WeakPolarHBondContact O-CD1 3.4Å; E558-L562 PolarHBondContact O-N 3.17Å; M559-L562 HydrophobicContact CE-CD1 3.2Å; M559-L562 WeakPolarHBondContact O-CB 3.42Å; M559-L562 PolarHBondContact O-N 3.37Å; M559-L562 HydrophobicContact SD-CD1 3.99Å; Y560-L562 PolarHBondContact O-N 3.07Å; L562-Y564 VanDerWaalsContact C-N 3.28Å; L562-Y564 PolarHBondContact O-N 3.14Å; L562-K565 HydrophobicContact CD2-CD 4.43Å; L562-K565 WeakPolarHBondContact O-CB 3.19Å; L562-K565 PolarHBondContact O-N 3.23Å; L562-Q570 HydrophobicContact CD2-CB 4.17Å; L562-Q570 HydrophobicContact CD2-CG 3.98Å; L562-Q570 WeakPolarHBondContact O-CG 3.47Å; L562-Q570 PolarHBondContact O-NE2 3.41Å; L562-D573 HydrophobicContact CD2-CB 3.6Å; L562-D573 WeakPolarHBondContact CD2-OD2 3.47Å; L562-M943 HydrophobicContact CB-CE 3.73Å; L562-M943 HydrophobicContact CB-SD 4.31Å; L562-M943 HydrophobicContact CD1-CE 4.03Å; L562-M943 HydrophobicContact CD1-SD 4.48Å; L562-M943 HydrophobicContact CD2-CE 3.8Å; L562-M943 HydrophobicContact CG-CE 4.09Å
563	S	58	Low	63	Low	30 Å²	30	63.7 Å²	63.7	21%	0.21	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-27	-174.6	70.7	0	0	0	0	114.2	Y560 N561	Y560-S563 WeakPolarHBondContact O-CB 3.18Å; Y560-S563 PolarHBondContact O-N 3.48Å; Y560-S563 VanDerWaalsContact O-N 3.13Å; Y560-S563 PolarHBondContact O-OG 3.17Å; N561-S563 VanDerWaalsContact C-N 3.32Å; N561-S563 PolarHBondContact O-N 3.25Å
564	Y	60.2	Low	65.4	Low	198 Å²	198	59.8 Å²	59.8	78%	0.776	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-8.2	178.3	-66.6	-78.7	0	0	0	113.8	L562	L562-Y564 VanDerWaalsContact C-N 3.28Å; L562-Y564 PolarHBondContact O-N 3.14Å
565	K	73.8	Confident	67.5	Low	74 Å²	74	58.6 Å²	58.6	32%	0.322	28%	0.277	S	S	.	.	S	Bend	trans	-82.4	153.5	-178.6	-68.8	-176.2	-178	-175.4	0	111.4	L562 E569 Q570 D573	L562-K565 HydrophobicContact CD2-CD 4.43Å; L562-K565 WeakPolarHBondContact O-CB 3.19Å; L562-K565 PolarHBondContact O-N 3.23Å; K565-E569 WeakPolarHBondContact CA-OE2 3.47Å; K565-E569 HydrophobicContact CB-CB 3.82Å; K565-E569 WeakPolarHBondContact CB-OE2 3.44Å; K565-E569 HydrophobicContact CD-CB 4.19Å; K565-E569 HydrophobicContact CG-CB 4.33Å; K565-Q570 HydrophobicContact CB-CG 3.97Å; K565-Q570 PolarHBondContact O-NE2 3.35Å; K565-D573 WeakPolarHBondContact CD-OD2 3.32Å; K565-D573 WeakPolarHBondContact CE-OD2 3.44Å; K565-D573 VanDerWaalsContact NZ-CG 3.32Å; K565-D573 IonicContact NZ-OD1 2.58Å; K565-D573 PolarHBondContact NZ-OD1 2.84Å; K565-D573 IonicContact NZ-OD2 3.88Å; K565-D573 PolarHBondContact NZ-OD2 3.05Å
566	T	81.7	Confident	69.1	Low	78 Å²	78	64 Å²	64	48%	0.479	30%	0.299	S	S	.	.			trans	-62.4	156.5	169.2	63.4	0	0	0	0	110.5	L568 E569 Q570	T566-L568 PolarHBondContact O-N 3.25Å; T566-L568 VanDerWaalsContact O-N 3.12Å; T566-E569 PolarHBondContact N-OE2 3.36Å; T566-E569 PolarHBondContact O-N 2.99Å; T566-E569 VanDerWaalsContact O-N 3.09Å; T566-E569 WeakPolarHBondContact OG1-CB 3.41Å; T566-E569 VanDerWaalsContact OG1-CG 3.27Å; T566-E569 WeakPolarHBondContact OG1-CG 3.27Å; T566-E569 PolarHBondContact OG1-N 3.42Å; T566-E569 PolarHBondContact OG1-OE2 3.19Å; T566-Q570 WeakPolarHBondContact O-CG 3.28Å; T566-Q570 PolarHBondContact O-N 2.95Å
567	E	84.1	Confident	70.1	Confident	81 Å²	81	62.3 Å²	62.3	38%	0.379	29%	0.293	S	S	.	.	H	α-helix	trans	-57.5	-29.9	178	-62.8	-178	160.3	0	0	112.5	L571 V819	E567-L571 WeakPolarHBondContact O-CB 3.15Å; E567-L571 PolarHBondContact O-N 2.79Å; E567-V819 HydrophobicContact CB-CG1 4.02Å; E567-V819 HydrophobicContact CB-CG2 4.4Å
568	L	84.3	Confident	70.9	Confident	45 Å²	45	58.3 Å²	58.3	24%	0.236	28%	0.283	C	S	.	.	H	α-helix	trans	-74.1	-38.9	178.4	-168.4	63.9	0	0	0	112.5	T566 L571 N572 L692 K695 A696 V819	T566-L568 PolarHBondContact O-N 3.25Å; T566-L568 VanDerWaalsContact O-N 3.12Å; L568-L571 PolarHBondContact O-N 3.08Å; L568-N572 PolarHBondContact O-N 2.79Å; L568-L692 HydrophobicContact CD1-CD1 4.23Å; L568-K695 HydrophobicContact CD1-CB 4.11Å; L568-K695 HydrophobicContact CD2-CB 4.13Å; L568-K695 WeakPolarHBondContact CD2-O 3.45Å; L568-A696 HydrophobicContact CD1-CB 3.93Å; L568-V819 HydrophobicContact CD1-CG1 4.36Å
569	E	85	Confident	70.7	Confident	55 Å²	55	54.3 Å²	54.3	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-68.7	-39.6	171.5	-74.7	170.2	154.8	0	0	111.5	K565 T566 L571 N572 D573	K565-E569 WeakPolarHBondContact CA-OE2 3.47Å; K565-E569 HydrophobicContact CB-CB 3.82Å; K565-E569 WeakPolarHBondContact CB-OE2 3.44Å; K565-E569 HydrophobicContact CD-CB 4.19Å; K565-E569 HydrophobicContact CG-CB 4.33Å; T566-E569 PolarHBondContact N-OE2 3.36Å; T566-E569 PolarHBondContact O-N 2.99Å; T566-E569 VanDerWaalsContact O-N 3.09Å; T566-E569 WeakPolarHBondContact OG1-CB 3.41Å; T566-E569 VanDerWaalsContact OG1-CG 3.27Å; T566-E569 WeakPolarHBondContact OG1-CG 3.27Å; T566-E569 PolarHBondContact OG1-N 3.42Å; T566-E569 PolarHBondContact OG1-OE2 3.19Å; E569-L571 VanDerWaalsContact C-N 3.32Å; E569-L571 PolarHBondContact O-N 3.09Å; E569-N572 VanDerWaalsContact O-CB 3.32Å; E569-N572 WeakPolarHBondContact O-CB 3.44Å; E569-N572 PolarHBondContact O-N 3.26Å; E569-D573 PolarHBondContact O-N 2.84Å
570	Q	84.7	Confident	70.4	Confident	3 Å²	3	55.1 Å²	55.1	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-42.5	172.7	-69.2	170.5	-4.8	0	0	111.1	L562 K565 T566 N572 D573 L574 S940 L942 M943	L562-Q570 HydrophobicContact CD2-CB 4.17Å; L562-Q570 HydrophobicContact CD2-CG 3.98Å; L562-Q570 WeakPolarHBondContact O-CG 3.47Å; L562-Q570 PolarHBondContact O-NE2 3.41Å; K565-Q570 HydrophobicContact CB-CG 3.97Å; K565-Q570 PolarHBondContact O-NE2 3.35Å; T566-Q570 WeakPolarHBondContact O-CG 3.28Å; T566-Q570 PolarHBondContact O-N 2.95Å; Q570-N572 VanDerWaalsContact C-N 3.33Å; Q570-N572 PolarHBondContact O-N 3.03Å; Q570-D573 PolarHBondContact O-N 3.33Å; Q570-L574 WeakPolarHBondContact O-CG 3.41Å; Q570-L574 PolarHBondContact O-N 3.47Å; Q570-S940 PolarHBondContact NE2-OG 3.04Å; Q570-S940 PolarHBondContact OE1-OG 2.85Å; Q570-L942 HydrophobicContact CB-CD2 3.91Å; Q570-M943 HydrophobicContact CB-CE 4.33Å; Q570-M943 HydrophobicContact CG-CE 4.2Å
571	L	85.4	Confident	69.9	Low	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-41.6	173.6	-177.1	61.2	0	0	0	111.6	E567 L568 E569 D573 L574 L575 L692 A696 L812 V819 L942	E567-L571 WeakPolarHBondContact O-CB 3.15Å; E567-L571 PolarHBondContact O-N 2.79Å; L568-L571 PolarHBondContact O-N 3.08Å; E569-L571 VanDerWaalsContact C-N 3.32Å; E569-L571 PolarHBondContact O-N 3.09Å; L571-D573 VanDerWaalsContact C-N 3.34Å; L571-D573 PolarHBondContact O-N 3.25Å; L571-L574 WeakPolarHBondContact O-CB 3.41Å; L571-L574 PolarHBondContact O-N 3.12Å; L571-L575 WeakPolarHBondContact O-CG 3.42Å; L571-L575 PolarHBondContact O-N 2.64Å; L571-L692 HydrophobicContact CD2-CD1 4.28Å; L571-L692 HydrophobicContact CD2-CD2 4.07Å; L571-L692 HydrophobicContact CD2-CG 3.98Å; L571-A696 HydrophobicContact CB-CB 4.45Å; L571-A696 HydrophobicContact CD2-CB 4.12Å; L571-A696 HydrophobicContact CG-CB 4.17Å; L571-L812 HydrophobicContact CD1-CD2 4.34Å; L571-L812 HydrophobicContact CD2-CD2 4.04Å; L571-L812 HydrophobicContact CG-CD2 4.42Å; L571-V819 HydrophobicContact CB-CG2 4.31Å; L571-V819 HydrophobicContact CD2-CB 4.33Å; L571-V819 HydrophobicContact CD2-CG1 4.27Å; L571-V819 HydrophobicContact CD2-CG2 4.23Å; L571-L942 HydrophobicContact CB-CD2 4.33Å
572	N	85.3	Confident	69.3	Low	7 Å²	7	45.6 Å²	45.6	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-44.1	175.2	-168.3	17	0	0	0	112	L568 E569 Q570 L574 L575 K576 A696 R697	L568-N572 PolarHBondContact O-N 2.79Å; E569-N572 VanDerWaalsContact O-CB 3.32Å; E569-N572 WeakPolarHBondContact O-CB 3.44Å; E569-N572 PolarHBondContact O-N 3.26Å; Q570-N572 VanDerWaalsContact C-N 3.33Å; Q570-N572 PolarHBondContact O-N 3.03Å; N572-L574 VanDerWaalsContact C-N 3.31Å; N572-L574 PolarHBondContact O-N 3.45Å; N572-L575 WeakPolarHBondContact O-CB 3.4Å; N572-L575 PolarHBondContact O-N 3.48Å; N572-L575 VanDerWaalsContact O-N 3.16Å; N572-K576 WeakPolarHBondContact O-CG 3.3Å; N572-K576 PolarHBondContact O-N 2.95Å; N572-A696 HydrophobicContact CB-CB 4.35Å; N572-A696 WeakPolarHBondContact CB-O 3.26Å; N572-A696 PolarHBondContact ND2-O 2.73Å; N572-R697 PolarHBondContact ND2-O 3.24Å; N572-R697 WeakPolarHBondContact OD1-CA 3.4Å
573	D	81.8	Confident	68.6	Low	26 Å²	26	45.5 Å²	45.5	14%	0.139	23%	0.226	C	C	.	.	H	α-helix	trans	-63	-38.6	176.9	-71.3	-19.5	0	0	0	111.5	L562 K565 E569 Q570 L571 L575 K576 L577	L562-D573 HydrophobicContact CD2-CB 3.6Å; L562-D573 WeakPolarHBondContact CD2-OD2 3.47Å; K565-D573 WeakPolarHBondContact CD-OD2 3.32Å; K565-D573 WeakPolarHBondContact CE-OD2 3.44Å; K565-D573 VanDerWaalsContact NZ-CG 3.32Å; K565-D573 IonicContact NZ-OD1 2.58Å; K565-D573 PolarHBondContact NZ-OD1 2.84Å; K565-D573 IonicContact NZ-OD2 3.88Å; K565-D573 PolarHBondContact NZ-OD2 3.05Å; E569-D573 PolarHBondContact O-N 2.84Å; Q570-D573 PolarHBondContact O-N 3.33Å; L571-D573 VanDerWaalsContact C-N 3.34Å; L571-D573 PolarHBondContact O-N 3.25Å; D573-L575 VanDerWaalsContact C-N 3.34Å; D573-L575 PolarHBondContact O-N 3.41Å; D573-K576 PolarHBondContact O-N 3.3Å; D573-L577 VanDerWaalsContact O-CB 3.3Å; D573-L577 WeakPolarHBondContact O-CB 3.31Å; D573-L577 WeakPolarHBondContact O-CG 3.47Å; D573-L577 PolarHBondContact O-N 2.92Å
574	L	80.1	Confident	67.4	Low	11 Å²	11	44.4 Å²	44.4	6%	0.058	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-42.4	172.4	-67.7	172.5	0	0	0	112	Q570 L571 N572 K576 G578 Y815 L942 V946	Q570-L574 WeakPolarHBondContact O-CG 3.41Å; Q570-L574 PolarHBondContact O-N 3.47Å; L571-L574 WeakPolarHBondContact O-CB 3.41Å; L571-L574 PolarHBondContact O-N 3.12Å; N572-L574 VanDerWaalsContact C-N 3.31Å; N572-L574 PolarHBondContact O-N 3.45Å; L574-K576 VanDerWaalsContact C-N 3.31Å; L574-K576 PolarHBondContact O-N 2.69Å; L574-G578 PolarHBondContact O-N 3.3Å; L574-Y815 HydrophobicContact CD1-CD2 3.89Å; L574-Y815 HydrophobicContact CD1-CE2 4.15Å; L574-Y815 HydrophobicContact CD1-CG 4.43Å; L574-L942 HydrophobicContact CD1-CD1 3.87Å; L574-L942 HydrophobicContact CD1-CD2 4.05Å; L574-L942 HydrophobicContact CD1-CG 4.11Å; L574-V946 HydrophobicContact CD1-CG2 3.63Å; L574-V946 HydrophobicContact CD2-CB 4.43Å; L574-V946 HydrophobicContact CD2-CG1 3.85Å; L574-V946 HydrophobicContact CD2-CG2 3.7Å; L574-V946 HydrophobicContact CG-CG2 4.29Å
575	L	81	Confident	66.1	Low	24 Å²	24	36.6 Å²	36.6	13%	0.126	19%	0.191	C	C	.	.	H	α-helix	trans	-63.7	-36.2	175.4	-67.3	175.6	0	0	0	112	L571 N572 D573 A696 T808 I811 L812	L571-L575 WeakPolarHBondContact O-CG 3.42Å; L571-L575 PolarHBondContact O-N 2.64Å; N572-L575 WeakPolarHBondContact O-CB 3.4Å; N572-L575 PolarHBondContact O-N 3.48Å; N572-L575 VanDerWaalsContact O-N 3.16Å; D573-L575 VanDerWaalsContact C-N 3.34Å; D573-L575 PolarHBondContact O-N 3.41Å; L575-A696 HydrophobicContact CD1-CB 4.06Å; L575-T808 HydrophobicContact CD2-CG2 3.97Å; L575-I811 HydrophobicContact CD2-CB 3.98Å; L575-I811 HydrophobicContact CD2-CD1 4.26Å; L575-I811 HydrophobicContact CD2-CG2 3.77Å; L575-L812 HydrophobicContact CD1-CD2 4.28Å; L575-L812 HydrophobicContact CD2-CD2 4.36Å; L575-L812 HydrophobicContact CD2-CG 4.14Å
576	K	76.4	Confident	64.4	Low	146 Å²	146	33.7 Å²	33.7	64%	0.635	18%	0.179	S	C	*	.	H	α-helix	trans	-74.9	-41.6	177.4	-74	175.2	-178.8	173.5	0	112.9	N572 D573 L574 G578	N572-K576 WeakPolarHBondContact O-CG 3.3Å; N572-K576 PolarHBondContact O-N 2.95Å; D573-K576 PolarHBondContact O-N 3.3Å; L574-K576 VanDerWaalsContact C-N 3.31Å; L574-K576 PolarHBondContact O-N 2.69Å; K576-G578 PolarHBondContact O-N 2.95Å
577	L	67.7	Low	62	Low	60 Å²	60	31.3 Å²	31.3	31%	0.314	16%	0.164	S	C	.	.	H	α-helix	trans	-59.7	-30.1	176.4	-77.7	167.6	0	0	0	110.5	M559 D573 N579	M559-L577 HydrophobicContact CE-CD1 4.46Å; D573-L577 VanDerWaalsContact O-CB 3.3Å; D573-L577 WeakPolarHBondContact O-CB 3.31Å; D573-L577 WeakPolarHBondContact O-CG 3.47Å; D573-L577 PolarHBondContact O-N 2.92Å; L577-N579 HydrophobicContact CB-CB 4.19Å; L577-N579 PolarHBondContact O-N 3.07Å
578	G	60.1	Low	59.5	Low	29 Å²	29	27.7 Å²	27.7	30%	0.299	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	21.6	-176.3	0	0	0	0	0	111.5	L574 K576 I580	L574-G578 PolarHBondContact O-N 3.3Å; K576-G578 PolarHBondContact O-N 2.95Å; G578-I580 WeakPolarHBondContact O-CG1 3.42Å; G578-I580 PolarHBondContact O-N 2.9Å
579	N	45.3	Very low	57.2	Low	15 Å²	15	26.3 Å²	26.3	8%	0.08	14%	0.14	C	C	.	.			trans	-65.3	99.7	-170.5	-96.5	-9.4	0	0	0	107.2	L577 A581 H583 K764	L577-N579 HydrophobicContact CB-CB 4.19Å; L577-N579 PolarHBondContact O-N 3.07Å; N579-A581 PolarHBondContact O-N 2.91Å; N579-H583 PolarHBondContact O-CD2 3.46Å; N579-H583 PolarHBondContact O-NE2 2.78Å; N579-K764 WeakPolarHBondContact OD1-CE 3.39Å
580	I	44.6	Very low	54.8	Low	51 Å²	51	25.1 Å²	25.1	26%	0.262	14%	0.136	S	C	.	.			trans	-67.5	18.3	-173.8	-38.8	168.1	0	0	0	112	G578 F582 H583 Y761 L765	G578-I580 WeakPolarHBondContact O-CG1 3.42Å; G578-I580 PolarHBondContact O-N 2.9Å; I580-F582 WeakPolarHBondContact O-CA 3.49Å; I580-F582 PolarHBondContact O-N 3.34Å; I580-H583 PolarHBondContact O-N 3.3Å; I580-Y761 HydrophobicContact CB-CE2 4.01Å; I580-Y761 HydrophobicContact CD1-CD2 4.04Å; I580-Y761 HydrophobicContact CD1-CE2 4.01Å; I580-Y761 HydrophobicContact CG2-CE2 3.62Å; I580-L765 VanDerWaalsContact O-CD2 3.26Å; I580-L765 WeakPolarHBondContact O-CD2 3.41Å
581	A	40.8	Very low	52.3	Low	8 Å²	8	25.9 Å²	25.9	7%	0.066	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40	-41.7	-169.7	0	0	0	0	0	111.4	N579 L765	N579-A581 PolarHBondContact O-N 2.91Å; A581-L765 VanDerWaalsContact CA-CD2 3.41Å; A581-L765 WeakPolarHBondContact O-CD2 3.49Å
582	F	41.8	Very low	49.8	Very low	9 Å²	9	26.1 Å²	26.1	4%	0.039	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-161.7	73	159.9	-70.7	-89.2	0	0	0	109.9	I580 F602 W605 I606 K814	I580-F582 WeakPolarHBondContact O-CA 3.49Å; I580-F582 PolarHBondContact O-N 3.34Å; F582-F602 AromaticContact CE1-CD1 3.91Å; F582-F602 HydrophobicContact CE1-CD1 3.91Å; F582-F602 AromaticContact CZ-CD1 3.82Å; F582-F602 HydrophobicContact CZ-CD1 3.82Å; F582-F602 AromaticContact CZ-CE1 3.99Å; F582-F602 HydrophobicContact CZ-CE1 3.99Å; F582-W605 HydrophobicContact CB-CE3 4.45Å; F582-W605 HydrophobicContact CB-CH2 4.47Å; F582-W605 HydrophobicContact CB-CZ3 3.6Å; F582-W605 AromaticContact CD1-CE3 3.91Å; F582-W605 HydrophobicContact CD1-CE3 3.91Å; F582-W605 AromaticContact CD1-CZ3 3.84Å; F582-W605 HydrophobicContact CD1-CZ3 3.84Å; F582-W605 HydrophobicContact CD2-CE3 4Å; F582-W605 HydrophobicContact CD2-CH2 4.03Å; F582-W605 AromaticContact CD2-CZ3 3.35Å; F582-W605 HydrophobicContact CD2-CZ3 3.35Å; F582-W605 HydrophobicContact CE1-CE3 4.08Å; F582-W605 HydrophobicContact CE1-CZ3 4.34Å; F582-W605 HydrophobicContact CE2-CE3 4.22Å; F582-W605 AromaticContact CE2-CZ3 3.96Å; F582-W605 HydrophobicContact CE2-CZ3 3.96Å; F582-W605 AromaticContact CG-CE3 3.88Å; F582-W605 HydrophobicContact CG-CE3 3.88Å; F582-W605 HydrophobicContact CG-CH2 4.33Å; F582-W605 AromaticContact CG-CZ3 3.32Å; F582-W605 HydrophobicContact CG-CZ3 3.32Å; F582-W605 HydrophobicContact CZ-CE3 4.25Å; F582-W605 HydrophobicContact CZ-CZ3 4.41Å; F582-I606 HydrophobicContact CD1-CD1 3.68Å; F582-I606 HydrophobicContact CD1-CG1 3.65Å; F582-I606 HydrophobicContact CE1-CD1 3.95Å; F582-I606 HydrophobicContact CE1-CG1 4.05Å; F582-K814 PolarHBondContact O-NZ 3.34Å
583	H	39.2	Very low	47.7	Very low	6 Å²	6	26.6 Å²	26.6	3%	0.028	14%	0.143	C	C	.	.	S	Bend	trans	-121.8	92.9	-175.5	-64	-64.6	0	0	0	112.3	N579 I580 L585 A810 I811 Y815	N579-H583 PolarHBondContact O-CD2 3.46Å; N579-H583 PolarHBondContact O-NE2 2.78Å; I580-H583 PolarHBondContact O-N 3.3Å; H583-L585 PolarHBondContact O-N 3.46Å; H583-A810 HydrophobicContact CB-CB 4.09Å; H583-I811 HydrophobicContact CB-CG1 3.8Å; H583-I811 WeakPolarHBondContact ND1-CA 3.4Å; H583-Y815 AromaticContact CE1-CD2 3.76Å; H583-Y815 AromaticContact CE1-CE2 3.25Å; H583-Y815 WeakPolarHBondContact CE1-CE2 3.4Å; H583-Y815 AromaticContact NE2-CE2 3.59Å
584	G	32.1	Very low	45.5	Very low	6 Å²	6	25.9 Å²	25.9	6%	0.062	14%	0.139	C	C	.	.	S	Bend	trans	93.8	-31.1	157.4	0	0	0	0	0	115	D586 Y806 A810	G584-D586 PolarHBondContact N-OD1 3.05Å; G584-D586 PolarHBondContact O-N 3.39Å; G584-Y806 WeakPolarHBondContact O-CE1 3.49Å; G584-Y806 PolarHBondContact O-OH 3.21Å; G584-A810 VanDerWaalsContact CA-CB 3.44Å
585	L	32.1	Very low	43.2	Very low	34 Å²	34	28.1 Å²	28.1	18%	0.178	15%	0.151	C	C	.	.			trans	-88.1	39.7	172.5	-76.2	151.7	0	0	0	111.5	H583 T587 V588 L589 L791	H583-L585 PolarHBondContact O-N 3.46Å; L585-T587 VanDerWaalsContact C-N 3.3Å; L585-T587 PolarHBondContact O-N 2.97Å; L585-V588 HydrophobicContact CB-CB 4.04Å; L585-V588 HydrophobicContact CB-CG2 3.8Å; L585-V588 HydrophobicContact CD2-CB 4.42Å; L585-V588 HydrophobicContact CD2-CG2 3.42Å; L585-V588 VanDerWaalsContact CD2-CG2 3.42Å; L585-V588 HydrophobicContact CG-CG2 4.21Å; L585-V588 WeakPolarHBondContact O-CA 3.25Å; L585-V588 WeakPolarHBondContact O-CB 3.26Å; L585-V588 PolarHBondContact O-N 3.27Å; L585-L589 PolarHBondContact O-N 3.36Å; L585-L791 HydrophobicContact CD2-CD1 4.35Å
586	D	38.2	Very low	40.8	Very low	14 Å²	14	29.5 Å²	29.5	8%	0.075	16%	0.159	C	C	.	.	H	α-helix	trans	-55	-45.4	-172.9	-86.5	22.9	0	0	0	110.5	G584 V588 L589 I590 I606 H610	G584-D586 PolarHBondContact N-OD1 3.05Å; G584-D586 PolarHBondContact O-N 3.39Å; D586-V588 PolarHBondContact O-N 3.49Å; D586-L589 PolarHBondContact O-N 3.31Å; D586-I590 WeakPolarHBondContact O-CD1 3.32Å; D586-I590 VanDerWaalsContact O-CG1 3.26Å; D586-I590 WeakPolarHBondContact O-CG1 3.29Å; D586-I590 PolarHBondContact O-N 2.82Å; D586-I606 VanDerWaalsContact C-CG2 3.45Å; D586-I606 HydrophobicContact CB-CB 4.4Å; D586-I606 HydrophobicContact CB-CG2 3.06Å; D586-I606 VanDerWaalsContact CG-CG2 3.41Å; D586-I606 WeakPolarHBondContact O-CD1 3.08Å; D586-I606 WeakPolarHBondContact O-CG2 3.47Å; D586-H610 IonicContact OD2-CD2 2.75Å; D586-H610 PolarHBondContact OD2-CD2 3.22Å; D586-H610 IonicContact OD2-NE2 3.09Å
587	T	31.9	Very low	38.4	Very low	28 Å²	28	32.8 Å²	32.8	17%	0.172	17%	0.167	C	C	.	.	H	α-helix	trans	-72.4	-11.4	176	53	0	0	0	0	115.2	L585 I590 N591 N730 Y787	L585-T587 VanDerWaalsContact C-N 3.3Å; L585-T587 PolarHBondContact O-N 2.97Å; T587-I590 HydrophobicContact CG2-CD1 3.74Å; T587-N591 PolarHBondContact O-ND2 3.5Å; T587-N730 WeakPolarHBondContact CB-OD1 3.24Å; T587-N730 WeakPolarHBondContact CG2-ND2 3.4Å; T587-N730 VanDerWaalsContact CG2-OD1 3.26Å; T587-N730 WeakPolarHBondContact CG2-OD1 3.32Å; T587-N730 PolarHBondContact OG1-OD1 3.37Å; T587-Y787 VanDerWaalsContact C-OH 3.3Å; T587-Y787 VanDerWaalsContact CB-OH 3.31Å; T587-Y787 WeakPolarHBondContact CB-OH 3.31Å; T587-Y787 WeakPolarHBondContact O-CE1 3.4Å; T587-Y787 PolarHBondContact O-OH 3.48Å; T587-Y787 PolarHBondContact OG1-OH 2.98Å
588	V	32.8	Very low	36.6	Very low	5 Å²	5	30.2 Å²	30.2	3%	0.03	15%	0.154	C	C	.	.	H	α-helix	trans	-87.6	-24.5	178.6	-171.9	0	0	0	0	112.6	L585 D586 I756 F758 Y787 Y788 L791	L585-V588 HydrophobicContact CB-CB 4.04Å; L585-V588 HydrophobicContact CB-CG2 3.8Å; L585-V588 HydrophobicContact CD2-CB 4.42Å; L585-V588 HydrophobicContact CD2-CG2 3.42Å; L585-V588 VanDerWaalsContact CD2-CG2 3.42Å; L585-V588 HydrophobicContact CG-CG2 4.21Å; L585-V588 WeakPolarHBondContact O-CA 3.25Å; L585-V588 WeakPolarHBondContact O-CB 3.26Å; L585-V588 PolarHBondContact O-N 3.27Å; D586-V588 PolarHBondContact O-N 3.49Å; V588-I756 HydrophobicContact CG1-CD1 4.24Å; V588-F758 HydrophobicContact CG1-CE1 4.49Å; V588-Y787 HydrophobicContact CG2-CE1 4.33Å; V588-Y787 WeakPolarHBondContact CG2-OH 3.15Å; V588-Y788 HydrophobicContact CG1-CD1 4.44Å; V588-Y788 HydrophobicContact CG1-CE1 3.69Å; V588-Y788 WeakPolarHBondContact O-CE1 3.16Å; V588-Y788 PolarHBondContact O-OH 3.48Å; V588-L791 HydrophobicContact CB-CD2 3.93Å; V588-L791 HydrophobicContact CG1-CD2 3.37Å; V588-L791 HydrophobicContact CG2-CD1 3.86Å; V588-L791 HydrophobicContact CG2-CD2 3.32Å; V588-L791 HydrophobicContact CG2-CG 4.22Å
589	L	34.1	Very low	35	Very low	15 Å²	15	30.8 Å²	30.8	8%	0.079	15%	0.152	C	C	.	.	H	α-helix	trans	-87.3	-28.2	167.1	-96.4	137.6	0	0	0	111.4	L585 D586 N591 V592 I606 Y761 L762 L765	L585-L589 PolarHBondContact O-N 3.36Å; D586-L589 PolarHBondContact O-N 3.31Å; L589-N591 PolarHBondContact O-N 2.96Å; L589-N591 VanDerWaalsContact O-N 3.09Å; L589-V592 PolarHBondContact O-N 2.82Å; L589-I606 HydrophobicContact CB-CD1 3.63Å; L589-Y761 HydrophobicContact CD1-CE1 3.77Å; L589-Y761 WeakPolarHBondContact CD1-OH 3.28Å; L589-Y761 HydrophobicContact CG-CE1 4.23Å; L589-L762 HydrophobicContact CD2-CD2 4.36Å; L589-L765 HydrophobicContact CD1-CD1 3.81Å; L589-L765 HydrophobicContact CD2-CD1 4.35Å
590	I	36.3	Very low	34.3	Very low	31 Å²	31	31.6 Å²	31.6	16%	0.159	16%	0.156	C	C	.	.	H	α-helix	trans	-49.6	-37.7	174.1	-76.6	163	0	0	0	112.1	D586 T587 S603 I606	D586-I590 WeakPolarHBondContact O-CD1 3.32Å; D586-I590 VanDerWaalsContact O-CG1 3.26Å; D586-I590 WeakPolarHBondContact O-CG1 3.29Å; D586-I590 PolarHBondContact O-N 2.82Å; T587-I590 HydrophobicContact CG2-CD1 3.74Å; I590-S603 VanDerWaalsContact CA-CB 3.44Å; I590-S603 WeakPolarHBondContact CD1-O 3.46Å; I590-S603 WeakPolarHBondContact CG1-O 3.4Å; I590-S603 VanDerWaalsContact CG2-CB 3.5Å; I590-S603 WeakPolarHBondContact O-CB 3.31Å; I590-I606 HydrophobicContact CD1-CB 4.35Å; I590-I606 HydrophobicContact CD1-CG2 3.7Å; I590-I606 HydrophobicContact CG1-CB 4.32Å; I590-I606 HydrophobicContact CG1-CG2 4.09Å
591	N	30.6	Very low	33.5	Very low	18 Å²	18	29.5 Å²	29.5	10%	0.096	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-5.5	-174.3	-56.9	-45.6	0	0	0	115.6	T587 L589 V782 T783 Y787 Y788	T587-N591 PolarHBondContact O-ND2 3.5Å; L589-N591 PolarHBondContact O-N 2.96Å; L589-N591 VanDerWaalsContact O-N 3.09Å; N591-V782 CarbonylContact O-C 3.57Å; N591-V782 WeakPolarHBondContact O-CA 3.48Å; N591-T783 WeakPolarHBondContact CA-OG1 3.08Å; N591-T783 WeakPolarHBondContact CB-OG1 3.13Å; N591-T783 VanDerWaalsContact CG-OG1 3.28Å; N591-T783 PolarHBondContact O-N 3.44Å; N591-T783 PolarHBondContact OD1-OG1 3.33Å; N591-Y787 HydrophobicContact CB-CD1 4.3Å; N591-Y787 WeakPolarHBondContact ND2-CD1 3.36Å; N591-Y788 WeakPolarHBondContact CA-OH 3.21Å; N591-Y788 HydrophobicContact CB-CD2 4.38Å; N591-Y788 HydrophobicContact CB-CE2 3.27Å; N591-Y788 WeakPolarHBondContact CB-OH 3.04Å; N591-Y788 PolarHBondContact N-OH 3.28Å; N591-Y788 WeakPolarHBondContact O-CE2 3.33Å
592	V	34	Very low	33.1	Very low	6 Å²	6	29.7 Å²	29.7	4%	0.036	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	105.1	175.5	-171.4	0	0	0	0	108.6	L589 L748 F758 V780 Y788	L589-V592 PolarHBondContact O-N 2.82Å; V592-L748 HydrophobicContact CB-CD2 4.38Å; V592-L748 HydrophobicContact CG1-CD2 3.79Å; V592-L748 HydrophobicContact CG2-CD2 3.54Å; V592-F758 HydrophobicContact CG2-CE1 3.99Å; V592-V780 HydrophobicContact CG1-CB 4.11Å; V592-V780 HydrophobicContact CG1-CG1 4.35Å; V592-V780 HydrophobicContact CG1-CG2 4.18Å; V592-Y788 HydrophobicContact CG2-CD1 4.34Å; V592-Y788 HydrophobicContact CG2-CE1 3.37Å; V592-Y788 HydrophobicContact CG2-CE2 3.87Å; V592-Y788 WeakPolarHBondContact CG2-OH 3.28Å; V592-Y788 PolarHBondContact N-OH 3.21Å
593	Q	41.7	Very low	32.5	Very low	16 Å²	16	29.8 Å²	29.8	8%	0.075	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.4	177.4	-55.5	176.8	-30	0	0	109.1	P599 V780 W781 T783	Q593-P599 HydrophobicContact CB-CB 4.08Å; Q593-P599 VanDerWaalsContact CD-CA 3.44Å; Q593-P599 HydrophobicContact CG-CB 3.96Å; Q593-P599 WeakPolarHBondContact CG-O 3.33Å; Q593-P599 VanDerWaalsContact NE2-C 3.25Å; Q593-P599 VanDerWaalsContact NE2-CB 3.33Å; Q593-P599 PolarHBondContact NE2-O 3.46Å; Q593-P599 VanDerWaalsContact OE1-CB 3.29Å; Q593-V780 CarbonylContact O-C 3.39Å; Q593-V780 VanDerWaalsContact O-C 3.31Å; Q593-V780 WeakPolarHBondContact O-CA 3.4Å; Q593-V780 WeakPolarHBondContact O-CB 3.39Å; Q593-W781 WeakPolarHBondContact CA-O 3.37Å; Q593-W781 HydrophobicContact CB-CB 3.85Å; Q593-W781 WeakPolarHBondContact CB-O 3.5Å; Q593-W781 PolarHBondContact N-O 3.11Å; Q593-W781 PolarHBondContact O-N 3.05Å; Q593-W781 VanDerWaalsContact O-O 3.11Å; Q593-T783 VanDerWaalsContact CD-CG2 3.48Å; Q593-T783 HydrophobicContact CG-CG2 4.08Å
594	L	35.2	Very low	32.2	Very low	11 Å²	11	29.8 Å²	29.8	6%	0.058	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	147.7	174.4	-63.4	171.4	0	0	0	110.2	L596 L762 M774 M778 V780 I957	L594-L596 CarbonylContact C-O 3.13Å; L594-L596 CarbonylContact O-C 3.58Å; L594-L596 PolarHBondContact O-N 3.43Å; L594-L596 VanDerWaalsContact O-N 3.11Å; L594-L762 HydrophobicContact CD2-CD1 4.19Å; L594-M774 HydrophobicContact CD1-CE 3.78Å; L594-M774 HydrophobicContact CD2-CE 4.12Å; L594-M774 HydrophobicContact CD2-SD 4.14Å; L594-M778 HydrophobicContact CB-CE 4.02Å; L594-M778 HydrophobicContact CD1-CE 4.46Å; L594-M778 HydrophobicContact CD2-CE 3.93Å; L594-M778 HydrophobicContact CD2-SD 4.13Å; L594-M778 HydrophobicContact CG-CE 4.35Å; L594-V780 HydrophobicContact CD2-CG1 3.72Å; L594-I957 HydrophobicContact CD1-CG1 4.06Å
595	N	32.1	Very low	32.2	Very low	58 Å²	58	31.1 Å²	31.1	31%	0.31	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	2.8	179.3	-169.7	44.7	0	0	0	113.9	K742 Q779 W781	N595-K742 WeakPolarHBondContact ND2-CE 3.16Å; N595-K742 VanDerWaalsContact OD1-CE 3.27Å; N595-K742 WeakPolarHBondContact OD1-CE 3.42Å; N595-Q779 HydrophobicContact CB-CB 3.84Å; N595-Q779 WeakPolarHBondContact CB-O 3.39Å; N595-Q779 PolarHBondContact N-O 2.97Å; N595-Q779 VanDerWaalsContact N-O 3.11Å; N595-Q779 WeakPolarHBondContact ND2-CB 3.25Å; N595-Q779 PolarHBondContact ND2-OE1 3.3Å; N595-W781 PolarHBondContact OD1-NE1 2.65Å
596	L	29	Very low	32.4	Very low	54 Å²	54	29.5 Å²	29.5	28%	0.283	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	118.8	158.1	-64.6	156.4	0	0	0	104.2	L594 V598 M778 I957 T959	L594-L596 CarbonylContact C-O 3.13Å; L594-L596 CarbonylContact O-C 3.58Å; L594-L596 PolarHBondContact O-N 3.43Å; L594-L596 VanDerWaalsContact O-N 3.11Å; L596-V598 PolarHBondContact O-N 3.22Å; L596-M778 HydrophobicContact CD1-CE 3.63Å; L596-M778 HydrophobicContact CG-CE 4.21Å; L596-I957 HydrophobicContact CD1-CB 4.49Å; L596-I957 HydrophobicContact CD1-CG2 3.46Å; L596-I957 VanDerWaalsContact CD1-CG2 3.46Å; L596-I957 WeakPolarHBondContact CD1-O 3.36Å; L596-T959 HydrophobicContact CD2-CG2 3.8Å
597	R	26.2	Very low	32.1	Very low	215 Å²	215	32.3 Å²	32.3	81%	0.811	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-43.1	56.5	-170.8	-72.7	-178.8	173	165.1	-2.7	116.4	P599 S962	R597-P599 VanDerWaalsContact O-CD 3.31Å; R597-P599 WeakPolarHBondContact O-CD 3.46Å; R597-S962 WeakPolarHBondContact O-CB 3.44Å
598	V	30.2	Very low	32.2	Very low	5 Å²	5	38.8 Å²	38.8	3%	0.03	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-124.1	62	-179.1	-164.1	0	0	0	0	106.8	L596 F601 F602 A956 L961	L596-V598 PolarHBondContact O-N 3.22Å; V598-F601 HydrophobicContact CG1-CB 4.43Å; V598-F602 HydrophobicContact CB-CE2 4.05Å; V598-F602 HydrophobicContact CG1-CD2 3.89Å; V598-F602 HydrophobicContact CG1-CE2 3.23Å; V598-F602 HydrophobicContact CG1-CZ 3.96Å; V598-A956 WeakPolarHBondContact CG2-O 3.32Å; V598-L961 HydrophobicContact CG1-CD2 4.06Å
599	P	27.8	Very low	32.3	Very low	41 Å²	41	39.8 Å²	39.8	27%	0.266	18%	0.183	S	C	.	.			trans	-87.4	-29.6	-167.4	-1.5	25.1	0	0	0	110.2	Q593 R597	Q593-P599 HydrophobicContact CB-CB 4.08Å; Q593-P599 VanDerWaalsContact CD-CA 3.44Å; Q593-P599 HydrophobicContact CG-CB 3.96Å; Q593-P599 WeakPolarHBondContact CG-O 3.33Å; Q593-P599 VanDerWaalsContact NE2-C 3.25Å; Q593-P599 VanDerWaalsContact NE2-CB 3.33Å; Q593-P599 PolarHBondContact NE2-O 3.46Å; Q593-P599 VanDerWaalsContact OE1-CB 3.29Å; R597-P599 VanDerWaalsContact O-CD 3.31Å; R597-P599 WeakPolarHBondContact O-CD 3.46Å
600	L	29	Very low	32.3	Very low	32 Å²	32	41.1 Å²	41.1	17%	0.168	19%	0.189	C	C	.	.	S	Bend	trans	-109.6	-36.3	-163.5	-66.9	164.9	0	0	0	112.8	F602 S603 D967 L970	L600-F602 PolarHBondContact O-N 3.13Å; L600-S603 PolarHBondContact O-N 2.83Å; L600-S603 PolarHBondContact O-OG 2.88Å; L600-D967 WeakPolarHBondContact CD1-OD1 3.25Å; L600-L970 HydrophobicContact CB-CB 4.4Å; L600-L970 HydrophobicContact CB-CD1 4.21Å; L600-L970 WeakPolarHBondContact O-CD1 3.38Å
601	F	28.8	Very low	32.3	Very low	8 Å²	8	40.2 Å²	40.2	4%	0.035	19%	0.185	C	C	.	.	H	α-helix	trans	-54	-44.5	-176.2	-179.7	-97	0	0	0	114.9	V598 S603 A604 W605 P855 L952 L961 I965 L968	V598-F601 HydrophobicContact CG1-CB 4.43Å; F601-S603 VanDerWaalsContact C-N 3.29Å; F601-S603 PolarHBondContact O-N 3.24Å; F601-A604 PolarHBondContact O-N 2.79Å; F601-W605 HydrophobicContact CE1-CB 4.36Å; F601-W605 HydrophobicContact CZ-CB 4.27Å; F601-W605 HydrophobicContact CZ-CG 4.38Å; F601-W605 PolarHBondContact O-N 2.92Å; F601-W605 VanDerWaalsContact O-N 3.13Å; F601-P855 HydrophobicContact CE2-CB 4.03Å; F601-P855 HydrophobicContact CZ-CB 4.32Å; F601-L952 HydrophobicContact CZ-CD1 4.3Å; F601-L961 HydrophobicContact CD1-CD2 3.78Å; F601-L961 HydrophobicContact CE1-CD2 4.1Å; F601-L961 HydrophobicContact CG-CD2 4.3Å; F601-I965 HydrophobicContact CD2-CD1 3.76Å; F601-I965 HydrophobicContact CD2-CG2 4.19Å; F601-I965 HydrophobicContact CE2-CD1 3.64Å; F601-L968 HydrophobicContact CD2-CD1 4.01Å; F601-L968 HydrophobicContact CE2-CD1 4.36Å
602	F	32.3	Very low	32.6	Very low	12 Å²	12	41.4 Å²	41.4	5%	0.053	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-33.1	-175	-71.4	-58.4	0	0	0	113.6	F582 V598 L600 A604 I606 A956 L961	F582-F602 AromaticContact CE1-CD1 3.91Å; F582-F602 HydrophobicContact CE1-CD1 3.91Å; F582-F602 AromaticContact CZ-CD1 3.82Å; F582-F602 HydrophobicContact CZ-CD1 3.82Å; F582-F602 AromaticContact CZ-CE1 3.99Å; F582-F602 HydrophobicContact CZ-CE1 3.99Å; V598-F602 HydrophobicContact CB-CE2 4.05Å; V598-F602 HydrophobicContact CG1-CD2 3.89Å; V598-F602 HydrophobicContact CG1-CE2 3.23Å; V598-F602 HydrophobicContact CG1-CZ 3.96Å; L600-F602 PolarHBondContact O-N 3.13Å; F602-A604 VanDerWaalsContact C-N 3.34Å; F602-I606 WeakPolarHBondContact O-CB 3.12Å; F602-I606 WeakPolarHBondContact O-CD1 3.33Å; F602-I606 WeakPolarHBondContact O-CG1 3.26Å; F602-A956 HydrophobicContact CE1-CB 3.47Å; F602-A956 VanDerWaalsContact CE1-CB 3.47Å; F602-A956 HydrophobicContact CE2-CB 3.6Å; F602-A956 HydrophobicContact CZ-CB 2.93Å; F602-L961 HydrophobicContact CZ-CD2 3.8Å
603	S	29.8	Very low	32.6	Very low	10 Å²	10	41.3 Å²	41.3	7%	0.07	19%	0.194	C	C	.	.	H	α-helix	trans	-68.5	-37.2	179.3	56.7	0	0	0	0	113	I590 L600 F601 I606 E607	I590-S603 VanDerWaalsContact CA-CB 3.44Å; I590-S603 WeakPolarHBondContact CD1-O 3.46Å; I590-S603 WeakPolarHBondContact CG1-O 3.4Å; I590-S603 VanDerWaalsContact CG2-CB 3.5Å; I590-S603 WeakPolarHBondContact O-CB 3.31Å; L600-S603 PolarHBondContact O-N 2.83Å; L600-S603 PolarHBondContact O-OG 2.88Å; F601-S603 VanDerWaalsContact C-N 3.29Å; F601-S603 PolarHBondContact O-N 3.24Å; S603-I606 WeakPolarHBondContact O-CB 3.33Å; S603-E607 PolarHBondContact O-N 3.48Å
604	A	32.9	Very low	32.6	Very low	7 Å²	7	40.6 Å²	40.6	6%	0.058	19%	0.191	C	C	.	.	H	α-helix	trans	-96.6	-29.6	-170.9	0	0	0	0	0	117.3	F601 F602 I606 E607 R608 L970	F601-A604 PolarHBondContact O-N 2.79Å; F602-A604 VanDerWaalsContact C-N 3.34Å; A604-I606 PolarHBondContact O-N 3.19Å; A604-E607 PolarHBondContact O-N 2.84Å; A604-E607 VanDerWaalsContact O-N 3.15Å; A604-R608 WeakPolarHBondContact O-CB 3.24Å; A604-R608 PolarHBondContact O-N 3.26Å; A604-L970 HydrophobicContact CB-CB 3.66Å; A604-L970 HydrophobicContact CB-CD1 3.06Å; A604-L970 HydrophobicContact CB-CD2 2.85Å; A604-L970 HydrophobicContact CB-CG 3.21Å
605	W	32.2	Very low	33	Very low	34 Å²	34	40.5 Å²	40.5	13%	0.129	19%	0.19	C	C	.	.	H	α-helix	trans	-56.2	-36	170	-173	78.8	0	0	0	108.6	F582 F601 S609 N949	F582-W605 HydrophobicContact CB-CE3 4.45Å; F582-W605 HydrophobicContact CB-CH2 4.47Å; F582-W605 HydrophobicContact CB-CZ3 3.6Å; F582-W605 AromaticContact CD1-CE3 3.91Å; F582-W605 HydrophobicContact CD1-CE3 3.91Å; F582-W605 AromaticContact CD1-CZ3 3.84Å; F582-W605 HydrophobicContact CD1-CZ3 3.84Å; F582-W605 HydrophobicContact CD2-CE3 4Å; F582-W605 HydrophobicContact CD2-CH2 4.03Å; F582-W605 AromaticContact CD2-CZ3 3.35Å; F582-W605 HydrophobicContact CD2-CZ3 3.35Å; F582-W605 HydrophobicContact CE1-CE3 4.08Å; F582-W605 HydrophobicContact CE1-CZ3 4.34Å; F582-W605 HydrophobicContact CE2-CE3 4.22Å; F582-W605 AromaticContact CE2-CZ3 3.96Å; F582-W605 HydrophobicContact CE2-CZ3 3.96Å; F582-W605 AromaticContact CG-CE3 3.88Å; F582-W605 HydrophobicContact CG-CE3 3.88Å; F582-W605 HydrophobicContact CG-CH2 4.33Å; F582-W605 AromaticContact CG-CZ3 3.32Å; F582-W605 HydrophobicContact CG-CZ3 3.32Å; F582-W605 HydrophobicContact CZ-CE3 4.25Å; F582-W605 HydrophobicContact CZ-CZ3 4.41Å; F601-W605 HydrophobicContact CE1-CB 4.36Å; F601-W605 HydrophobicContact CZ-CB 4.27Å; F601-W605 HydrophobicContact CZ-CG 4.38Å; F601-W605 PolarHBondContact O-N 2.92Å; F601-W605 VanDerWaalsContact O-N 3.13Å; W605-S609 WeakPolarHBondContact O-CA 3.5Å; W605-S609 WeakPolarHBondContact O-CB 3.45Å; W605-S609 PolarHBondContact O-N 3.43Å; W605-S609 PolarHBondContact O-OG 3.2Å; W605-N949 VanDerWaalsContact CH2-OD1 3.26Å; W605-N949 WeakPolarHBondContact CH2-OD1 3.43Å; W605-N949 WeakPolarHBondContact CZ2-OD1 3.41Å
606	I	35.9	Very low	33.5	Very low	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.7	-56.2	168.2	-69.2	177.2	0	0	0	113.2	F582 D586 L589 I590 F602 S603 A604 R608 S609 H610	F582-I606 HydrophobicContact CD1-CD1 3.68Å; F582-I606 HydrophobicContact CD1-CG1 3.65Å; F582-I606 HydrophobicContact CE1-CD1 3.95Å; F582-I606 HydrophobicContact CE1-CG1 4.05Å; D586-I606 VanDerWaalsContact C-CG2 3.45Å; D586-I606 HydrophobicContact CB-CB 4.4Å; D586-I606 HydrophobicContact CB-CG2 3.06Å; D586-I606 VanDerWaalsContact CG-CG2 3.41Å; D586-I606 WeakPolarHBondContact O-CD1 3.08Å; D586-I606 WeakPolarHBondContact O-CG2 3.47Å; L589-I606 HydrophobicContact CB-CD1 3.63Å; I590-I606 HydrophobicContact CD1-CB 4.35Å; I590-I606 HydrophobicContact CD1-CG2 3.7Å; I590-I606 HydrophobicContact CG1-CB 4.32Å; I590-I606 HydrophobicContact CG1-CG2 4.09Å; F602-I606 WeakPolarHBondContact O-CB 3.12Å; F602-I606 WeakPolarHBondContact O-CD1 3.33Å; F602-I606 WeakPolarHBondContact O-CG1 3.26Å; S603-I606 WeakPolarHBondContact O-CB 3.33Å; A604-I606 PolarHBondContact O-N 3.19Å; I606-R608 PolarHBondContact O-N 3.3Å; I606-R608 VanDerWaalsContact O-N 3.16Å; I606-S609 WeakPolarHBondContact CA-OG 3.41Å; I606-S609 PolarHBondContact O-N 2.72Å; I606-S609 PolarHBondContact O-OG 3.18Å; I606-S609 VanDerWaalsContact O-OG 3.09Å; I606-H610 PolarHBondContact O-N 3.19Å
607	E	32.4	Very low	34.1	Very low	73 Å²	73	37.9 Å²	37.9	34%	0.341	18%	0.178	S	C	.	.	H	α-helix	trans	-58.2	-29.5	-179.5	-164	173.4	-169.3	0	0	113	S603 A604 K1133	S603-E607 PolarHBondContact O-N 3.48Å; A604-E607 PolarHBondContact O-N 2.84Å; A604-E607 VanDerWaalsContact O-N 3.15Å; E607-K1133 IonicContact OE1-NZ 2.79Å; E607-K1133 PolarHBondContact OE1-NZ 2.62Å
608	R	32.9	Very low	34.9	Very low	163 Å²	163	28 Å²	28	62%	0.615	14%	0.141	S	C	*	.	H	α-helix	trans	-93	-26.6	179	-162.2	175.2	177.5	104.8	-6.5	113.7	A604 I606 H610 D851	A604-R608 WeakPolarHBondContact O-CB 3.24Å; A604-R608 PolarHBondContact O-N 3.26Å; I606-R608 PolarHBondContact O-N 3.3Å; I606-R608 VanDerWaalsContact O-N 3.16Å; R608-H610 VanDerWaalsContact C-N 3.35Å; R608-H610 CarbonylContact C-O 3.41Å; R608-D851 IonicContact CZ-OD2 2.7Å; R608-D851 VanDerWaalsContact CZ-OD2 3.22Å; R608-D851 IonicContact NE-OD2 2.74Å; R608-D851 PolarHBondContact NE-OD2 3.26Å; R608-D851 IonicContact NH2-OD2 3.36Å; R608-D851 PolarHBondContact NH2-OD2 2.81Å
609	S	34.6	Very low	35.4	Very low	26 Å²	26	28.2 Å²	28.2	18%	0.182	14%	0.142	C	C	.	.	H	α-helix	trans	-76.2	-27.4	170.3	68.4	0	0	0	0	111.8	W605 I606 T611	W605-S609 WeakPolarHBondContact O-CA 3.5Å; W605-S609 WeakPolarHBondContact O-CB 3.45Å; W605-S609 PolarHBondContact O-N 3.43Å; W605-S609 PolarHBondContact O-OG 3.2Å; I606-S609 WeakPolarHBondContact CA-OG 3.41Å; I606-S609 PolarHBondContact O-N 2.72Å; I606-S609 PolarHBondContact O-OG 3.18Å; I606-S609 VanDerWaalsContact O-OG 3.09Å; S609-T611 PolarHBondContact O-N 3.43Å
610	H	34.9	Very low	36	Very low	43 Å²	43	27.4 Å²	27.4	20%	0.199	14%	0.137	C	C	.	.	S	Bend	trans	-59.5	122.2	153.4	-108.1	-85.8	0	0	0	107.9	D586 I606 R608 P612	D586-H610 IonicContact OD2-CD2 2.75Å; D586-H610 PolarHBondContact OD2-CD2 3.22Å; D586-H610 IonicContact OD2-NE2 3.09Å; I606-H610 PolarHBondContact O-N 3.19Å; R608-H610 VanDerWaalsContact C-N 3.35Å; R608-H610 CarbonylContact C-O 3.41Å; H610-P612 WeakPolarHBondContact O-CD 3.42Å; H610-P612 WeakPolarHBondContact O-CG 3.37Å
611	T	36.8	Very low	36.4	Very low	13 Å²	13	27 Å²	27	8%	0.08	13%	0.134	C	C	.	.			trans	-60.4	105.7	164.8	47.7	0	0	0	0	107.4	S609 G613 L614 K827 L831	S609-T611 PolarHBondContact O-N 3.43Å; T611-G613 PolarHBondContact O-N 2.75Å; T611-L614 PolarHBondContact O-N 3.3Å; T611-L614 VanDerWaalsContact O-N 3.17Å; T611-L614 WeakPolarHBondContact OG1-CB 3.29Å; T611-K827 VanDerWaalsContact CG2-CE 3.46Å; T611-K827 HydrophobicContact CG2-CG 4.49Å; T611-L831 HydrophobicContact CG2-CD1 4Å; T611-L831 HydrophobicContact CG2-CD2 3.65Å; T611-L831 HydrophobicContact CG2-CG 4.04Å
612	P	35.3	Very low	37	Very low	43 Å²	43	28 Å²	28	28%	0.279	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	23.7	-173.2	-11.8	29.4	0	0	0	113.1	H610 D616 Y834	H610-P612 WeakPolarHBondContact O-CD 3.42Å; H610-P612 WeakPolarHBondContact O-CG 3.37Å; P612-D616 WeakPolarHBondContact O-CB 3.43Å; P612-Y834 WeakPolarHBondContact O-CE2 3.26Å
613	G	35.4	Very low	37.4	Very low	3 Å²	3	30.9 Å²	30.9	3%	0.031	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-23.6	176.4	0	0	0	0	0	113.4	T611 S617	T611-G613 PolarHBondContact O-N 2.75Å; G613-S617 VanDerWaalsContact O-CB 3.26Å; G613-S617 WeakPolarHBondContact O-CB 3.4Å; G613-S617 PolarHBondContact O-N 3.47Å; G613-S617 PolarHBondContact O-OG 3.4Å
614	L	40.8	Very low	38	Very low	2 Å²	2	36.8 Å²	36.8	1%	0.01	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-44.4	-174.6	-168.7	142.3	0	0	0	111.8	T611 L618 L682 F830	T611-L614 PolarHBondContact O-N 3.3Å; T611-L614 VanDerWaalsContact O-N 3.17Å; T611-L614 WeakPolarHBondContact OG1-CB 3.29Å; L614-L618 WeakPolarHBondContact O-CD1 3.29Å; L614-L618 WeakPolarHBondContact O-CG 3.47Å; L614-L682 HydrophobicContact CD2-CD1 3.82Å; L614-F830 HydrophobicContact CB-CB 4.42Å; L614-F830 HydrophobicContact CD1-CB 3.67Å; L614-F830 HydrophobicContact CD1-CD1 3.86Å; L614-F830 HydrophobicContact CD1-CD2 3.37Å; L614-F830 HydrophobicContact CD1-CE1 4.28Å; L614-F830 HydrophobicContact CD1-CE2 3.86Å; L614-F830 HydrophobicContact CD1-CG 3.37Å; L614-F830 HydrophobicContact CD1-CZ 4.27Å; L614-F830 HydrophobicContact CG-CB 4.22Å; L614-F830 HydrophobicContact CG-CD1 4.1Å; L614-F830 HydrophobicContact CG-CD2 4.45Å; L614-F830 HydrophobicContact CG-CG 4.03Å
615	M	42.8	Very low	38.1	Very low	8 Å²	8	37.9 Å²	37.9	4%	0.039	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-37.8	177.4	-59.1	-50.8	176.6	0	0	112.2	S617 L618 L723 F809	M615-S617 PolarHBondContact O-N 3.36Å; M615-L618 WeakPolarHBondContact O-CB 3.45Å; M615-L618 PolarHBondContact O-N 2.8Å; M615-L618 HydrophobicContact SD-CD1 4.3Å; M615-L723 HydrophobicContact CE-CD1 3.33Å; M615-L723 HydrophobicContact CE-CD2 3.37Å; M615-L723 HydrophobicContact CE-CG 3.91Å; M615-L723 HydrophobicContact CG-CD1 4.31Å; M615-L723 HydrophobicContact SD-CD1 3.6Å; M615-L723 VanDerWaalsContact SD-CD1 3.6Å; M615-L723 HydrophobicContact SD-CD2 3.48Å; M615-L723 WeakPolarHBondContact SD-CD2 3.47Å; M615-L723 HydrophobicContact SD-CG 3.89Å; M615-F809 HydrophobicContact CE-CZ 4.49Å
616	D	43.1	Very low	38.3	Very low	37 Å²	37	44.6 Å²	44.6	20%	0.198	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.1	-179.1	-71.9	5	0	0	0	113.3	P612 L618 H1131	P612-D616 WeakPolarHBondContact O-CB 3.43Å; D616-L618 VanDerWaalsContact C-N 3.34Å; D616-H1131 HydrophobicContact CB-CB 3.84Å; D616-H1131 PolarHBondContact O-CE1 2.89Å; D616-H1131 PolarHBondContact O-ND1 3.18Å
617	S	42.7	Very low	38.3	Very low	20 Å²	20	53.7 Å²	53.7	14%	0.14	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-11	174.6	63	0	0	0	0	114.2	G613 M615	G613-S617 VanDerWaalsContact O-CB 3.26Å; G613-S617 WeakPolarHBondContact O-CB 3.4Å; G613-S617 PolarHBondContact O-N 3.47Å; G613-S617 PolarHBondContact O-OG 3.4Å; M615-S617 PolarHBondContact O-N 3.36Å
618	L	42.1	Very low	38.6	Very low	9 Å²	9	53 Å²	53	5%	0.047	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-15.8	-177	-66.7	169.2	0	0	0	113.7	L614 M615 D616 P620 M621 L622 R678 V679 L682	L614-L618 WeakPolarHBondContact O-CD1 3.29Å; L614-L618 WeakPolarHBondContact O-CG 3.47Å; M615-L618 WeakPolarHBondContact O-CB 3.45Å; M615-L618 PolarHBondContact O-N 2.8Å; M615-L618 HydrophobicContact SD-CD1 4.3Å; D616-L618 VanDerWaalsContact C-N 3.34Å; L618-P620 VanDerWaalsContact C-CD 3.45Å; L618-M621 WeakPolarHBondContact O-CB 3.41Å; L618-M621 PolarHBondContact O-N 2.9Å; L618-L622 PolarHBondContact O-N 3.45Å; L618-R678 HydrophobicContact CD2-CB 3.84Å; L618-V679 HydrophobicContact CD2-CG2 3.79Å; L618-L682 HydrophobicContact CD1-CD2 3.55Å; L618-L682 HydrophobicContact CD1-CG 4.46Å
619	I	41.5	Very low	38.6	Very low	8 Å²	8	54.2 Å²	54.2	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-52.2	-44.6	-176.6	-66.4	162.7	0	0	0	113.8	M621 L622 D623 Q727 H1131	I619-M621 PolarHBondContact O-N 3.02Å; I619-M621 VanDerWaalsContact O-N 3.16Å; I619-L622 PolarHBondContact O-N 2.87Å; I619-D623 WeakPolarHBondContact CG2-OD2 3.36Å; I619-D623 PolarHBondContact O-N 3.24Å; I619-Q727 HydrophobicContact CG1-CG 3.96Å; I619-H1131 HydrophobicContact CD1-CB 4.44Å; I619-H1131 VanDerWaalsContact CD1-CD2 3.43Å; I619-H1131 WeakPolarHBondContact CD1-CD2 3.45Å; I619-H1131 VanDerWaalsContact CD1-CE1 3.44Å; I619-H1131 WeakPolarHBondContact CD1-CE1 3.21Å; I619-H1131 WeakPolarHBondContact CD1-NE2 3.13Å
620	P	38.8	Very low	38.8	Very low	25 Å²	25	56.6 Å²	56.6	16%	0.162	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-25.9	178.2	-19	29.7	0	0	0	113.7	L618 N624 L675 I1129	L618-P620 VanDerWaalsContact C-CD 3.45Å; P620-N624 WeakPolarHBondContact O-CB 3.36Å; P620-N624 PolarHBondContact O-N 3.41Å; P620-N624 PolarHBondContact O-ND2 2.89Å; P620-N624 VanDerWaalsContact O-ND2 3.17Å; P620-L675 HydrophobicContact CB-CD1 4.16Å; P620-L675 HydrophobicContact CB-CD2 4.31Å; P620-L675 HydrophobicContact CG-CD2 4.36Å; P620-I1129 HydrophobicContact CB-CD1 4.21Å; P620-I1129 HydrophobicContact CG-CD1 3.54Å; P620-I1129 HydrophobicContact CG-CG2 3.71Å
621	M	39	Very low	38.9	Very low	22 Å²	22	55.9 Å²	55.9	11%	0.108	29%	0.293	C	S	.	.	H	α-helix	trans	-73.9	-44.7	171.6	-73.2	-169.6	70.8	0	0	110.8	L618 I619 D623 N624 C625 L675 W676 V679	L618-M621 WeakPolarHBondContact O-CB 3.41Å; L618-M621 PolarHBondContact O-N 2.9Å; I619-M621 PolarHBondContact O-N 3.02Å; I619-M621 VanDerWaalsContact O-N 3.16Å; M621-D623 VanDerWaalsContact C-N 3.33Å; M621-D623 PolarHBondContact O-N 3.12Å; M621-N624 PolarHBondContact O-N 2.91Å; M621-C625 VanDerWaalsContact O-CB 3.24Å; M621-C625 WeakPolarHBondContact O-CB 3.22Å; M621-C625 PolarHBondContact O-N 3.48Å; M621-C625 VanDerWaalsContact O-N 3.1Å; M621-C625 PolarHBondContact O-SG 3.33Å; M621-L675 HydrophobicContact CG-CB 3.7Å; M621-L675 HydrophobicContact CG-CD1 4.35Å; M621-L675 HydrophobicContact CG-CD2 4.21Å; M621-L675 HydrophobicContact CG-CG 4.3Å; M621-L675 HydrophobicContact SD-CB 3.82Å; M621-W676 HydrophobicContact CE-CD2 4.33Å; M621-W676 HydrophobicContact CE-CE3 4.29Å; M621-V679 HydrophobicContact CE-CB 3.95Å; M621-V679 HydrophobicContact CE-CG2 3.42Å; M621-V679 VanDerWaalsContact CE-CG2 3.42Å; M621-V679 HydrophobicContact SD-CB 4.05Å; M621-V679 HydrophobicContact SD-CG2 3.24Å; M621-V679 WeakPolarHBondContact SD-CG2 3.08Å
622	L	40.2	Very low	38.8	Very low	31 Å²	31	59 Å²	59	16%	0.162	31%	0.312	C	S	.	.	H	α-helix	trans	-64.9	-37.6	-175.6	-69.5	179.5	0	0	0	111.8	L618 I619 C625 Y724 Q727	L618-L622 PolarHBondContact O-N 3.45Å; I619-L622 PolarHBondContact O-N 2.87Å; L622-C625 PolarHBondContact O-N 3.44Å; L622-Y724 HydrophobicContact CB-CD2 3.52Å; L622-Y724 HydrophobicContact CB-CE2 3.5Å; L622-Y724 VanDerWaalsContact CB-CE2 3.5Å; L622-Y724 HydrophobicContact CD1-CD2 3.91Å; L622-Y724 HydrophobicContact CD2-CD2 3.16Å; L622-Y724 HydrophobicContact CD2-CE2 3.87Å; L622-Y724 HydrophobicContact CD2-CG 3.85Å; L622-Y724 HydrophobicContact CG-CD2 3.63Å; L622-Y724 HydrophobicContact CG-CE2 4.13Å; L622-Y724 WeakPolarHBondContact O-CE2 3.38Å; L622-Y724 PolarHBondContact O-OH 2.87Å; L622-Y724 VanDerWaalsContact O-OH 3.12Å; L622-Q727 HydrophobicContact CD1-CB 4.07Å; L622-Q727 HydrophobicContact CD1-CG 4.08Å
623	D	41.3	Very low	39	Very low	72 Å²	72	65.8 Å²	65.8	39%	0.385	33%	0.333	S	S	.	.	H	α-helix	trans	-74.4	-35	178.1	-69.9	-24.7	0	0	0	113.2	I619 M621 C625	I619-D623 WeakPolarHBondContact CG2-OD2 3.36Å; I619-D623 PolarHBondContact O-N 3.24Å; M621-D623 VanDerWaalsContact C-N 3.33Å; M621-D623 PolarHBondContact O-N 3.12Å; D623-C625 PolarHBondContact O-N 2.8Å
624	N	42.1	Very low	39.4	Very low	133 Å²	133	72.7 Å²	72.7	71%	0.711	37%	0.365	S	S	*	.	H	α-helix	trans	-76.7	-7.9	173.8	-72.3	-23.2	0	0	0	113.3	P620 M621 E626	P620-N624 WeakPolarHBondContact O-CB 3.36Å; P620-N624 PolarHBondContact O-N 3.41Å; P620-N624 PolarHBondContact O-ND2 2.89Å; P620-N624 VanDerWaalsContact O-ND2 3.17Å; M621-N624 PolarHBondContact O-N 2.91Å; N624-E626 PolarHBondContact O-N 2.89Å
625	C	34.5	Very low	39.7	Very low	31 Å²	31	77.7 Å²	77.7	21%	0.209	39%	0.388	C	S	.	.			trans	-94.1	62.2	177	-75.9	0	0	0	0	109.5	M621 L622 D623 Q627 P628 Y724	M621-C625 VanDerWaalsContact O-CB 3.24Å; M621-C625 WeakPolarHBondContact O-CB 3.22Å; M621-C625 PolarHBondContact O-N 3.48Å; M621-C625 VanDerWaalsContact O-N 3.1Å; M621-C625 PolarHBondContact O-SG 3.33Å; L622-C625 PolarHBondContact O-N 3.44Å; D623-C625 PolarHBondContact O-N 2.8Å; C625-Q627 PolarHBondContact O-N 3.32Å; C625-P628 VanDerWaalsContact CB-CD 3.44Å; C625-P628 HydrophobicContact CB-CG 3.32Å; C625-P628 WeakPolarHBondContact SG-CG 3.44Å; C625-Y724 PolarHBondContact O-OH 3.32Å; C625-Y724 VanDerWaalsContact O-OH 3.07Å
626	E	36.2	Very low	39.7	Very low	174 Å²	174	78.7 Å²	78.7	81%	0.813	39%	0.393	S	S	*	.	S	Bend	trans	-60.9	-29.3	178.6	-98	-169.4	157.8	0	0	112.8	N624	N624-E626 PolarHBondContact O-N 2.89Å
627	Q	37.9	Very low	39.6	Very low	192 Å²	192	83.5 Å²	83.5	90%	0.897	41%	0.413	S	S	*	.	S	Bend	trans	-163.6	107.7	153.3	-68.9	-161.6	-12.9	0	0	107.6	C625	C625-Q627 PolarHBondContact O-N 3.32Å
628	P	36.9	Very low	39.7	Very low	57 Å²	57	87.8 Å²	87.8	37%	0.37	43%	0.434	S	S	.	.			trans	-112.8	123.3	158.7	19.3	-0.4	0	0	0	106.6	C625 L630	C625-P628 VanDerWaalsContact CB-CD 3.44Å; C625-P628 HydrophobicContact CB-CG 3.32Å; C625-P628 WeakPolarHBondContact SG-CG 3.44Å; P628-L630 PolarHBondContact O-N 3.47Å
629	E	34.6	Very low	39.6	Very low	189 Å²	189	96.3 Å²	96.3	88%	0.883	47%	0.467	S	S	*	.			trans	-45.9	102	135.7	-68.9	178.6	166.1	0	0	106.1	P631	E629-P631 WeakPolarHBondContact O-CD 3.27Å; E629-P631 VanDerWaalsContact O-N 3.11Å
630	L	38.2	Very low	39.7	Very low	77 Å²	77	100.7 Å²	100.7	40%	0.403	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-50.8	119.4	175.8	-89.8	151.4	0	0	0	106.1	P628 T632 L720	P628-L630 PolarHBondContact O-N 3.47Å; L630-T632 PolarHBondContact O-N 3.15Å; L630-L720 HydrophobicContact CD1-CD2 3.75Å; L630-L720 HydrophobicContact CD1-CG 4.35Å; L630-L720 HydrophobicContact CD2-CD2 4Å
631	P	35.9	Very low	39.9	Very low	28 Å²	28	104.4 Å²	104.4	18%	0.182	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-56.1	138	-168.3	15.9	-28.6	0	0	0	110.5	E629 E635 L636 W676	E629-P631 WeakPolarHBondContact O-CD 3.27Å; E629-P631 VanDerWaalsContact O-N 3.11Å; P631-E635 WeakPolarHBondContact CA-OE2 3.26Å; P631-E635 HydrophobicContact CB-CB 4.13Å; P631-E635 WeakPolarHBondContact CB-OE2 3.46Å; P631-L636 HydrophobicContact CB-CG 4.42Å; P631-W676 HydrophobicContact CG-CH2 3.65Å; P631-W676 HydrophobicContact CG-CZ3 3.88Å
632	T	35.2	Very low	39.6	Very low	77 Å²	77	107.8 Å²	107.8	47%	0.472	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-66	160.4	-179.7	57	0	0	0	0	109.7	L630 E634 E635 L636	L630-T632 PolarHBondContact O-N 3.15Å; T632-E634 PolarHBondContact O-N 3.2Å; T632-E634 VanDerWaalsContact O-N 3.11Å; T632-E635 PolarHBondContact N-OE2 2.8Å; T632-E635 PolarHBondContact O-N 2.98Å; T632-E635 WeakPolarHBondContact OG1-CG 3.34Å; T632-E635 PolarHBondContact OG1-OE2 3.45Å; T632-L636 PolarHBondContact O-N 2.91Å
633	Y	40.6	Very low	39.4	Very low	186 Å²	186	115 Å²	115	73%	0.729	57%	0.565	S	S	*	*	H	α-helix	trans	-56.3	-28	178.5	-179.7	-99	0	0	0	112.6	K637	Y633-K637 PolarHBondContact O-N 3.43Å
634	E	43.7	Very low	39.1	Very low	149 Å²	149	116.4 Å²	116.4	70%	0.696	58%	0.58	S	S	*	*	H	α-helix	trans	-74.6	-48.2	179.7	-66.4	179	173.9	0	0	112	T632 L636 K637 D638	T632-E634 PolarHBondContact O-N 3.2Å; T632-E634 VanDerWaalsContact O-N 3.11Å; E634-L636 PolarHBondContact O-N 2.9Å; E634-K637 WeakPolarHBondContact O-CB 3.18Å; E634-K637 PolarHBondContact O-N 3.11Å; E634-D638 PolarHBondContact O-N 3.42Å
635	E	45.6	Very low	38.7	Very low	107 Å²	107	117.3 Å²	117.3	50%	0.5	58%	0.578	S	S	.	*	H	α-helix	trans	-58.9	-33.9	175.1	-69.9	168.7	147.4	0	0	112.3	P631 T632 Y639	P631-E635 WeakPolarHBondContact CA-OE2 3.26Å; P631-E635 HydrophobicContact CB-CB 4.13Å; P631-E635 WeakPolarHBondContact CB-OE2 3.46Å; T632-E635 PolarHBondContact N-OE2 2.8Å; T632-E635 PolarHBondContact O-N 2.98Å; T632-E635 WeakPolarHBondContact OG1-CG 3.34Å; T632-E635 PolarHBondContact OG1-OE2 3.45Å; E635-Y639 PolarHBondContact O-N 3.37Å; E635-Y639 VanDerWaalsContact O-N 3.14Å
636	L	43	Very low	38.5	Very low	29 Å²	29	125.9 Å²	125.9	15%	0.152	61%	0.607	C	S	.	*	H	α-helix	trans	-69.5	-32.6	175.3	-79.4	160.5	0	0	0	113.1	P631 T632 E634 V640	P631-L636 HydrophobicContact CB-CG 4.42Å; T632-L636 PolarHBondContact O-N 2.91Å; E634-L636 PolarHBondContact O-N 2.9Å; L636-V640 WeakPolarHBondContact O-CG2 3.24Å; L636-V640 PolarHBondContact O-N 3.28Å
637	K	42.7	Very low	38.1	Very low	138 Å²	138	127.7 Å²	127.7	60%	0.6	61%	0.613	S	S	*	*	H	α-helix	trans	-69.1	-39.9	178	-158.2	178.9	-178.3	-173.5	0	110.4	Y633 E634 V640 T641	Y633-K637 PolarHBondContact O-N 3.43Å; E634-K637 WeakPolarHBondContact O-CB 3.18Å; E634-K637 PolarHBondContact O-N 3.11Å; K637-V640 PolarHBondContact O-N 3.18Å; K637-T641 PolarHBondContact O-N 2.9Å
638	D	43.2	Very low	37.6	Very low	110 Å²	110	124.6 Å²	124.6	59%	0.588	61%	0.607	S	S	*	*	H	α-helix	trans	-67.5	-39.4	177.2	-69.1	-13.7	0	0	0	111.4	E634 V640 T641 D642	E634-D638 PolarHBondContact O-N 3.42Å; D638-V640 VanDerWaalsContact C-N 3.35Å; D638-V640 PolarHBondContact O-N 3.28Å; D638-T641 WeakPolarHBondContact CA-OG1 3.4Å; D638-T641 PolarHBondContact O-N 2.89Å; D638-T641 VanDerWaalsContact O-N 3.1Å; D638-T641 PolarHBondContact O-OG1 2.92Å; D638-D642 PolarHBondContact O-N 3.34Å
639	Y	40.5	Very low	37.2	Very low	188 Å²	188	128.3 Å²	128.3	74%	0.737	63%	0.628	S	S	*	*	H	α-helix	trans	-64.3	-35.3	178.3	-157.4	-94.4	0	0	0	113.6	E635 T641	E635-Y639 PolarHBondContact O-N 3.37Å; E635-Y639 VanDerWaalsContact O-N 3.14Å; Y639-T641 VanDerWaalsContact C-N 3.3Å; Y639-T641 PolarHBondContact O-N 3.25Å
640	V	43.5	Very low	36.9	Very low	100 Å²	100	124.6 Å²	124.6	61%	0.606	62%	0.623	S	S	*	*	H	α-helix	trans	-70.2	-29.3	175.9	174.9	0	0	0	0	111.5	L636 K637 D638	L636-V640 WeakPolarHBondContact O-CG2 3.24Å; L636-V640 PolarHBondContact O-N 3.28Å; K637-V640 PolarHBondContact O-N 3.18Å; D638-V640 VanDerWaalsContact C-N 3.35Å; D638-V640 PolarHBondContact O-N 3.28Å
641	T	42.7	Very low	36.3	Very low	102 Å²	102	126.5 Å²	126.5	63%	0.626	64%	0.643	S	S	*	*	H	α-helix	trans	-77.2	-26.1	179	57.1	0	0	0	0	113.8	K637 D638 Y639 K643	K637-T641 PolarHBondContact O-N 2.9Å; D638-T641 WeakPolarHBondContact CA-OG1 3.4Å; D638-T641 PolarHBondContact O-N 2.89Å; D638-T641 VanDerWaalsContact O-N 3.1Å; D638-T641 PolarHBondContact O-OG1 2.92Å; Y639-T641 VanDerWaalsContact C-N 3.3Å; Y639-T641 PolarHBondContact O-N 3.25Å; T641-K643 VanDerWaalsContact C-N 3.28Å; T641-K643 PolarHBondContact O-N 2.91Å
642	D	33.8	Very low	35.8	Very low	94 Å²	94	130.6 Å²	130.6	50%	0.503	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.3	27.1	-174.4	-119.3	-0.2	0	0	0	114.8	D638 S644	D638-D642 PolarHBondContact O-N 3.34Å; D642-S644 PolarHBondContact O-N 3.26Å
643	K	36.5	Very low	35.4	Very low	182 Å²	182	132.2 Å²	132.2	79%	0.791	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	1.2	172.7	-83.2	-174	176.5	-179.6	0	115.2	T641	T641-K643 VanDerWaalsContact C-N 3.28Å; T641-K643 PolarHBondContact O-N 2.91Å
644	S	33.7	Very low	34.9	Very low	102 Å²	102	132.4 Å²	132.4	71%	0.713	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-1.9	-173.6	69.8	0	0	0	0	116	D642	D642-S644 PolarHBondContact O-N 3.26Å
645	K	34.2	Very low	34.1	Very low	151 Å²	151	132.8 Å²	132.8	66%	0.657	70%	0.698	S	S	*	*	S	Bend	trans	-115.1	-4.5	-172.6	-83.1	179.3	-178.8	168.2	0	118.1
646	Y	30.9	Very low	33.2	Very low	212 Å²	212	135.5 Å²	135.5	83%	0.831	71%	0.708	S	S	*	*			trans	-114.7	67.4	176.7	-71.4	-81.6	0	0	0	112.6
647	F	27.3	Very low	32.4	Very low	212 Å²	212	140.9 Å²	140.9	93%	0.93	74%	0.737	S	S	*	*			trans	-138	70.9	153.8	-98.3	-83.7	0	0	0	107.4
648	V	27.7	Very low	31.6	Very low	127 Å²	127	139.2 Å²	139.2	77%	0.77	74%	0.738	S	S	*	*			trans	-134	107.3	160.1	-177.4	0	0	0	0	107.2	S650	V648-S650 PolarHBondContact O-N 2.97Å
649	T	27	Very low	30.8	Very low	135 Å²	135	138.4 Å²	138.4	83%	0.828	74%	0.741	S	S	*	*			trans	-54.6	108.5	166.2	47.3	0	0	0	0	109.8
650	S	28.8	Very low	30.3	Very low	110 Å²	110	135.5 Å²	135.5	77%	0.769	75%	0.746	S	S	*	*			trans	-104.4	101.3	159.8	49.7	0	0	0	0	108.9	V648 S652	V648-S650 PolarHBondContact O-N 2.97Å; S650-S652 PolarHBondContact O-N 3.46Å
651	S	25.1	Very low	29.5	Very low	118 Å²	118	138.7 Å²	138.7	83%	0.825	76%	0.758	S	S	*	*			trans	-45.3	112.6	154.4	38.6	0	0	0	0	111.2
652	S	26.8	Very low	28.6	Very low	114 Å²	114	139.6 Å²	139.6	80%	0.797	76%	0.759	S	S	*	*			trans	-170.2	132	134.3	50.8	0	0	0	0	110.9	S650	S650-S652 PolarHBondContact O-N 3.46Å
653	S	27	Very low	28.2	Very low	111 Å²	111	147.1 Å²	147.1	78%	0.776	78%	0.782	S	S	*	*			trans	-59	140	178.4	40.9	0	0	0	0	114.1
654	K	28.7	Very low	27.6	Very low	189 Å²	189	141.1 Å²	141.1	82%	0.822	76%	0.763	S	S	*	*			trans	-163.1	100.5	138.9	-106.6	166.8	-169.5	-179.9	0	111.1	F656	K654-F656 HydrophobicContact CG-CE2 4.5Å
655	L	27	Very low	27.7	Very low	158 Å²	158	139.8 Å²	139.8	83%	0.827	76%	0.759	S	S	*	*			trans	-62.6	131.9	157.9	-153	83.8	0	0	0	108.9
656	F	28.1	Very low	27.4	Very low	164 Å²	164	138.5 Å²	138.5	72%	0.719	77%	0.768	S	S	*	*			trans	-154.8	110.6	154.2	-89.9	-68.1	0	0	0	112.4	K654	K654-F656 HydrophobicContact CG-CE2 4.5Å
657	N	25.8	Very low	27.3	Very low	142 Å²	142	132.7 Å²	132.7	76%	0.759	76%	0.759	S	S	*	*			trans	19.3	114.7	135.3	-61.6	-9.6	0	0	0	118.9
658	T	25.7	Very low	27.6	Very low	102 Å²	102	125.9 Å²	125.9	63%	0.626	74%	0.738	S	S	*	*			trans	-132.2	134	150.8	50.3	0	0	0	0	111
659	S	25	Very low	27.9	Very low	93 Å²	93	125 Å²	125	65%	0.65	74%	0.738	S	S	*	*			trans	-59.2	157	173.1	41.2	0	0	0	0	112.5	L661	S659-L661 VanDerWaalsContact C-N 3.33Å; S659-L661 PolarHBondContact O-N 2.94Å
660	P	31	Very low	28.3	Very low	128 Å²	128	123.1 Å²	123.1	83%	0.831	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	81.3	-173.7	33.1	-32.5	0	0	0	110.4
661	L	27.2	Very low	28.8	Very low	166 Å²	166	119.4 Å²	119.4	87%	0.869	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-170.4	41.6	147.2	-129.1	84	0	0	0	112.5	S659	S659-L661 VanDerWaalsContact C-N 3.33Å; S659-L661 PolarHBondContact O-N 2.94Å
662	D	22.9	Very low	29.4	Very low	121 Å²	121	117 Å²	117	65%	0.647	68%	0.684	S	S	*	*			trans	-136	114	165.5	-80.9	-41.5	0	0	0	108.9	S664	D662-S664 PolarHBondContact O-N 3Å
663	Y	25.6	Very low	30.1	Very low	252 Å²	252	115 Å²	115	99%	0.988	67%	0.669	S	S	*	*			trans	-69.7	61.2	160.6	-84	-87.3	0	0	0	108.5	A665	Y663-A665 PolarHBondContact O-N 3.07Å
664	S	24.2	Very low	31.2	Very low	56 Å²	56	114.4 Å²	114.4	39%	0.392	65%	0.652	S	S	.	*			trans	-87.9	93.6	175.8	62	0	0	0	0	109.7	D662 S666	D662-S664 PolarHBondContact O-N 3Å; S664-S666 VanDerWaalsContact C-N 3.31Å; S664-S666 PolarHBondContact O-N 3.16Å
665	A	35.7	Very low	32.3	Very low	75 Å²	75	106 Å²	106	62%	0.62	62%	0.616	S	S	*	*			trans	47.7	25.1	134.8	0	0	0	0	0	121	Y663 S667 S668	Y663-A665 PolarHBondContact O-N 3.07Å; A665-S667 PolarHBondContact O-N 3.46Å; A665-S668 PolarHBondContact O-OG 3.36Å
666	S	28.5	Very low	33.6	Very low	123 Å²	123	103.5 Å²	103.5	86%	0.86	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	16.4	178.8	57.3	0	0	0	0	115.5	S664	S664-S666 VanDerWaalsContact C-N 3.31Å; S664-S666 PolarHBondContact O-N 3.16Å
667	S	29	Very low	35.3	Very low	90 Å²	90	100.5 Å²	100.5	63%	0.629	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.3	49.2	165	59	0	0	0	0	112	A665 S671	A665-S667 PolarHBondContact O-N 3.46Å; S667-S671 PolarHBondContact O-OG 3Å
668	S	32.9	Very low	37.3	Very low	69 Å²	69	95 Å²	95	48%	0.483	56%	0.556	S	S	.	*	H	α-helix	trans	-90.4	0.7	-176.7	49.3	0	0	0	0	115.5	A665 T672	A665-S668 PolarHBondContact O-OG 3.36Å; S668-T672 WeakPolarHBondContact O-CG2 3.49Å
669	S	33.4	Very low	39.3	Very low	110 Å²	110	90.9 Å²	90.9	77%	0.769	53%	0.53	S	S	*	.	H	α-helix	trans	-87.8	-32.1	179.5	60.4	0	0	0	0	114.3
670	S	35.3	Very low	41.5	Very low	94 Å²	94	90.3 Å²	90.3	66%	0.657	52%	0.517	S	S	*	.	H	α-helix	trans	-93.3	-20.8	179.1	57.5	0	0	0	0	114
671	S	40.2	Very low	43.7	Very low	33 Å²	33	86 Å²	86	23%	0.231	49%	0.486	C	S	.	.	H	α-helix	trans	-85.1	-29.1	-174.3	50.6	0	0	0	0	113.8	S667 F674 L675	S667-S671 PolarHBondContact O-OG 3Å; S671-F674 PolarHBondContact O-N 3.01Å; S671-L675 WeakPolarHBondContact O-CB 3.35Å; S671-L675 WeakPolarHBondContact O-CG 3.44Å; S671-L675 PolarHBondContact O-N 2.86Å
672	T	37.2	Very low	46	Very low	66 Å²	66	78.1 Å²	78.1	41%	0.405	45%	0.445	S	S	.	.	H	α-helix	trans	-60.4	-45	-176.3	48.6	0	0	0	0	114	S668 F674 L675 W676	S668-T672 WeakPolarHBondContact O-CG2 3.49Å; T672-F674 PolarHBondContact O-N 3.34Å; T672-L675 PolarHBondContact O-N 3.45Å; T672-W676 PolarHBondContact O-N 3.22Å
673	P	42.3	Very low	48.8	Very low	74 Å²	74	76 Å²	76	48%	0.481	43%	0.428	S	S	.	.	H	α-helix	trans	-68.7	-36.4	-179.5	-14.2	30.3	0	0	0	112.3	N677	P673-N677 WeakPolarHBondContact O-CB 3.31Å; P673-N677 VanDerWaalsContact O-CG 3.3Å; P673-N677 PolarHBondContact O-N 3.5Å; P673-N677 VanDerWaalsContact O-N 3.17Å; P673-N677 PolarHBondContact O-ND2 2.65Å
674	F	49.7	Very low	51.6	Low	97 Å²	97	69.5 Å²	69.5	43%	0.425	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-45	176.8	175.5	-96.3	0	0	0	111.3	S671 T672 R678	S671-F674 PolarHBondContact O-N 3.01Å; T672-F674 PolarHBondContact O-N 3.34Å; F674-R678 PolarHBondContact O-N 2.98Å
675	L	52.2	Low	54.5	Low	14 Å²	14	66.9 Å²	66.9	7%	0.073	38%	0.384	C	S	.	.	H	α-helix	trans	-66.7	-47.2	178.8	-70.8	172.5	0	0	0	111.8	P620 M621 S671 T672 N677 R678 V679	P620-L675 HydrophobicContact CB-CD1 4.16Å; P620-L675 HydrophobicContact CB-CD2 4.31Å; P620-L675 HydrophobicContact CG-CD2 4.36Å; M621-L675 HydrophobicContact CG-CB 3.7Å; M621-L675 HydrophobicContact CG-CD1 4.35Å; M621-L675 HydrophobicContact CG-CD2 4.21Å; M621-L675 HydrophobicContact CG-CG 4.3Å; M621-L675 HydrophobicContact SD-CB 3.82Å; S671-L675 WeakPolarHBondContact O-CB 3.35Å; S671-L675 WeakPolarHBondContact O-CG 3.44Å; S671-L675 PolarHBondContact O-N 2.86Å; T672-L675 PolarHBondContact O-N 3.45Å; L675-N677 VanDerWaalsContact C-N 3.3Å; L675-N677 PolarHBondContact O-N 2.99Å; L675-R678 WeakPolarHBondContact O-CB 3.45Å; L675-R678 PolarHBondContact O-N 3.37Å; L675-V679 PolarHBondContact O-N 3.47Å
676	W	53	Low	56.9	Low	104 Å²	104	64 Å²	64	39%	0.394	36%	0.358	S	S	.	.	H	α-helix	trans	-57.2	-41.7	176.8	-83.8	109.8	0	0	0	112.8	M621 P631 T672 R678 V679 H680	M621-W676 HydrophobicContact CE-CD2 4.33Å; M621-W676 HydrophobicContact CE-CE3 4.29Å; P631-W676 HydrophobicContact CG-CH2 3.65Å; P631-W676 HydrophobicContact CG-CZ3 3.88Å; T672-W676 PolarHBondContact O-N 3.22Å; W676-R678 PolarHBondContact O-N 3.33Å; W676-V679 PolarHBondContact O-N 2.76Å; W676-H680 PolarHBondContact O-CD2 2.88Å; W676-H680 VanDerWaalsContact O-CD2 3.25Å; W676-H680 PolarHBondContact O-N 2.69Å
677	N	64.9	Low	59.7	Low	101 Å²	101	61.2 Å²	61.2	54%	0.54	33%	0.331	S	S	.	.	H	α-helix	trans	-58.5	-34.8	175.3	-77.8	-21.3	0	0	0	112.2	P673 L675 H680 E681	P673-N677 WeakPolarHBondContact O-CB 3.31Å; P673-N677 VanDerWaalsContact O-CG 3.3Å; P673-N677 PolarHBondContact O-N 3.5Å; P673-N677 VanDerWaalsContact O-N 3.17Å; P673-N677 PolarHBondContact O-ND2 2.65Å; L675-N677 VanDerWaalsContact C-N 3.3Å; L675-N677 PolarHBondContact O-N 2.99Å; N677-H680 PolarHBondContact O-N 3.03Å; N677-E681 WeakPolarHBondContact O-CG 3.42Å; N677-E681 PolarHBondContact O-N 2.81Å
678	R	66.7	Low	62.5	Low	28 Å²	28	57.4 Å²	57.4	11%	0.106	30%	0.303	C	S	.	.	H	α-helix	trans	-70	-39.2	179.8	-75.8	-73.2	142.4	87.5	19.7	113.6	L618 F674 L675 W676 H680 E681 L682 P833	L618-R678 HydrophobicContact CD2-CB 3.84Å; F674-R678 PolarHBondContact O-N 2.98Å; L675-R678 WeakPolarHBondContact O-CB 3.45Å; L675-R678 PolarHBondContact O-N 3.37Å; W676-R678 PolarHBondContact O-N 3.33Å; R678-H680 VanDerWaalsContact C-N 3.35Å; R678-E681 IonicContact CZ-OE2 2.8Å; R678-E681 IonicContact NE-OE2 3.95Å; R678-E681 PolarHBondContact NE-OE2 2.95Å; R678-E681 PolarHBondContact O-N 3.32Å; R678-L682 PolarHBondContact O-N 3.49Å; R678-P833 VanDerWaalsContact CZ-CG 3.45Å
679	V	68.3	Low	65.2	Low	14 Å²	14	54.1 Å²	54.1	9%	0.085	28%	0.28	C	S	.	.	H	α-helix	trans	-67.5	-37.4	174.8	164.7	0	0	0	0	111.5	L618 M621 L675 W676 L682 R683	L618-V679 HydrophobicContact CD2-CG2 3.79Å; M621-V679 HydrophobicContact CE-CB 3.95Å; M621-V679 HydrophobicContact CE-CG2 3.42Å; M621-V679 VanDerWaalsContact CE-CG2 3.42Å; M621-V679 HydrophobicContact SD-CB 4.05Å; M621-V679 HydrophobicContact SD-CG2 3.24Å; M621-V679 WeakPolarHBondContact SD-CG2 3.08Å; L675-V679 PolarHBondContact O-N 3.47Å; W676-V679 PolarHBondContact O-N 2.76Å; V679-L682 PolarHBondContact O-N 3.2Å; V679-R683 WeakPolarHBondContact O-CG 3.24Å; V679-R683 PolarHBondContact O-N 3.17Å
680	H	72	Confident	67.8	Low	81 Å²	81	48.9 Å²	48.9	38%	0.375	24%	0.244	S	C	.	.	H	α-helix	trans	-62.4	-43.3	172.3	-80.5	-67.3	0	0	0	112.4	W676 N677 R678 L682 R683 Y684	W676-H680 PolarHBondContact O-CD2 2.88Å; W676-H680 VanDerWaalsContact O-CD2 3.25Å; W676-H680 PolarHBondContact O-N 2.69Å; N677-H680 PolarHBondContact O-N 3.03Å; R678-H680 VanDerWaalsContact C-N 3.35Å; H680-L682 VanDerWaalsContact C-N 3.33Å; H680-L682 PolarHBondContact O-N 3.38Å; H680-R683 PolarHBondContact O-N 3.33Å; H680-Y684 WeakPolarHBondContact O-CB 3.38Å; H680-Y684 PolarHBondContact O-N 3.4Å
681	E	75.8	Confident	70.4	Confident	37 Å²	37	46.2 Å²	46.2	17%	0.173	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-45.5	173.8	-72.7	178.7	152.9	0	0	110.8	N677 R678 Y684 Y685 K829 F830	N677-E681 WeakPolarHBondContact O-CG 3.42Å; N677-E681 PolarHBondContact O-N 2.81Å; R678-E681 IonicContact CZ-OE2 2.8Å; R678-E681 IonicContact NE-OE2 3.95Å; R678-E681 PolarHBondContact NE-OE2 2.95Å; R678-E681 PolarHBondContact O-N 3.32Å; E681-Y684 WeakPolarHBondContact O-CB 3.41Å; E681-Y684 PolarHBondContact O-N 3.27Å; E681-Y685 WeakPolarHBondContact O-CB 3.18Å; E681-Y685 PolarHBondContact O-N 2.98Å; E681-K829 WeakPolarHBondContact OE1-CE 3.29Å; E681-K829 IonicContact OE1-NZ 3.29Å; E681-K829 PolarHBondContact OE1-NZ 2.96Å; E681-F830 HydrophobicContact CB-CD1 4.43Å; E681-F830 HydrophobicContact CB-CE1 3.51Å; E681-F830 HydrophobicContact CB-CZ 3.82Å; E681-F830 VanDerWaalsContact O-CZ 3.31Å; E681-F830 WeakPolarHBondContact O-CZ 3.37Å
682	L	77.4	Confident	72.7	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-46.8	178	-178.2	65	0	0	0	112.1	L614 L618 R678 V679 H680 Y684 Y685 I686 L720 L723 F830	L614-L682 HydrophobicContact CD2-CD1 3.82Å; L618-L682 HydrophobicContact CD1-CD2 3.55Å; L618-L682 HydrophobicContact CD1-CG 4.46Å; R678-L682 PolarHBondContact O-N 3.49Å; V679-L682 PolarHBondContact O-N 3.2Å; H680-L682 VanDerWaalsContact C-N 3.33Å; H680-L682 PolarHBondContact O-N 3.38Å; L682-Y684 VanDerWaalsContact C-N 3.29Å; L682-Y684 PolarHBondContact O-N 2.95Å; L682-Y685 HydrophobicContact CD1-CD1 4.47Å; L682-Y685 WeakPolarHBondContact O-CB 3.43Å; L682-Y685 PolarHBondContact O-N 3.2Å; L682-Y685 VanDerWaalsContact O-N 3.16Å; L682-I686 HydrophobicContact CD1-CD1 4.21Å; L682-I686 HydrophobicContact CD1-CG1 4.31Å; L682-I686 HydrophobicContact CD2-CD1 4.35Å; L682-I686 HydrophobicContact CG-CD1 3.87Å; L682-I686 HydrophobicContact CG-CG1 4.39Å; L682-I686 WeakPolarHBondContact O-CG1 3.37Å; L682-I686 PolarHBondContact O-N 3.33Å; L682-L720 HydrophobicContact CD2-CD1 3.77Å; L682-L723 HydrophobicContact CD2-CD2 4.08Å; L682-F830 HydrophobicContact CB-CE1 4.47Å
683	R	80.2	Confident	75.1	Confident	78 Å²	78	41.8 Å²	41.8	29%	0.294	19%	0.192	S	C	.	.	H	α-helix	trans	-59.5	-42.8	175.9	-74.3	-173.4	-177.4	-168	8.1	111.2	V679 H680 Y685 I686 H687	V679-R683 WeakPolarHBondContact O-CG 3.24Å; V679-R683 PolarHBondContact O-N 3.17Å; H680-R683 PolarHBondContact O-N 3.33Å; R683-Y685 VanDerWaalsContact C-N 3.31Å; R683-Y685 PolarHBondContact O-N 3.13Å; R683-I686 PolarHBondContact O-N 3.45Å; R683-H687 VanDerWaalsContact O-CB 3.31Å; R683-H687 WeakPolarHBondContact O-CB 3.42Å; R683-H687 PolarHBondContact O-N 3.04Å
684	Y	84	Confident	77.2	Confident	115 Å²	115	40.9 Å²	40.9	45%	0.451	18%	0.179	S	C	.	.	H	α-helix	trans	-62.3	-39.9	176.3	-176.3	-97.3	0	0	0	111.9	H680 E681 L682 H687 H688 K822 L826	H680-Y684 WeakPolarHBondContact O-CB 3.38Å; H680-Y684 PolarHBondContact O-N 3.4Å; E681-Y684 WeakPolarHBondContact O-CB 3.41Å; E681-Y684 PolarHBondContact O-N 3.27Å; L682-Y684 VanDerWaalsContact C-N 3.29Å; L682-Y684 PolarHBondContact O-N 2.95Å; Y684-H687 PolarHBondContact O-N 3.31Å; Y684-H688 WeakPolarHBondContact O-CB 3.39Å; Y684-H688 PolarHBondContact O-N 2.9Å; Y684-K822 PolarHBondContact OH-NZ 2.87Å; Y684-L826 HydrophobicContact CD1-CD1 4.02Å; Y684-L826 HydrophobicContact CD1-CD2 3.84Å; Y684-L826 HydrophobicContact CE1-CD1 3.69Å; Y684-L826 HydrophobicContact CE1-CD2 3.58Å; Y684-L826 HydrophobicContact CE1-CG 4.28Å
685	Y	85.9	Confident	79	Confident	0 Å²	0	42 Å²	42	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-46.7	176.1	179.2	-110.1	0	0	0	112.7	E681 L682 R683 H687 H688 L689 F809 H813 T823 L826 K827 F830	E681-Y685 WeakPolarHBondContact O-CB 3.18Å; E681-Y685 PolarHBondContact O-N 2.98Å; L682-Y685 HydrophobicContact CD1-CD1 4.47Å; L682-Y685 WeakPolarHBondContact O-CB 3.43Å; L682-Y685 PolarHBondContact O-N 3.2Å; L682-Y685 VanDerWaalsContact O-N 3.16Å; R683-Y685 VanDerWaalsContact C-N 3.31Å; R683-Y685 PolarHBondContact O-N 3.13Å; Y685-H687 VanDerWaalsContact C-N 3.3Å; Y685-H687 PolarHBondContact O-N 3.39Å; Y685-H688 WeakPolarHBondContact O-CB 3.43Å; Y685-H688 PolarHBondContact O-N 3.42Å; Y685-H688 VanDerWaalsContact O-N 3.12Å; Y685-L689 HydrophobicContact CD1-CD1 4.17Å; Y685-L689 HydrophobicContact CE1-CD1 3.56Å; Y685-L689 HydrophobicContact CE1-CG 4.2Å; Y685-L689 HydrophobicContact CE2-CD1 4.48Å; Y685-L689 HydrophobicContact CE2-CD2 4.32Å; Y685-L689 HydrophobicContact CE2-CG 4.33Å; Y685-L689 WeakPolarHBondContact O-CG 3.49Å; Y685-L689 PolarHBondContact O-N 3.44Å; Y685-F809 HydrophobicContact CD1-CE2 4.33Å; Y685-F809 HydrophobicContact CE1-CE2 4.14Å; Y685-F809 HydrophobicContact CE1-CZ 4.48Å; Y685-H813 AromaticContact CE1-ND1 3.37Å; Y685-H813 WeakPolarHBondContact CE1-ND1 3.44Å; Y685-H813 AromaticContact CZ-ND1 3.51Å; Y685-H813 PolarHBondContact OH-ND1 2.77Å; Y685-T823 HydrophobicContact CE2-CG2 4.05Å; Y685-L826 HydrophobicContact CD2-CB 3.82Å; Y685-L826 HydrophobicContact CD2-CD1 4.47Å; Y685-L826 HydrophobicContact CE2-CB 4.35Å; Y685-K827 HydrophobicContact CE2-CB 4.45Å; Y685-F830 HydrophobicContact CD1-CE2 4.18Å; Y685-F830 AromaticContact CD2-CE2 3.92Å; Y685-F830 HydrophobicContact CD2-CE2 3.92Å; Y685-F830 AromaticContact CG-CE2 3.6Å; Y685-F830 HydrophobicContact CG-CE2 3.6Å; Y685-F830 HydrophobicContact CG-CZ 4.17Å
686	I	85	Confident	80.6	Confident	16 Å²	16	41.3 Å²	41.3	8%	0.082	18%	0.18	C	C	.	.	H	α-helix	trans	-58.6	-44.8	175	-68.5	168.2	0	0	0	110.1	L682 R683 H688 L689 G690 F716 V719 F809	L682-I686 HydrophobicContact CD1-CD1 4.21Å; L682-I686 HydrophobicContact CD1-CG1 4.31Å; L682-I686 HydrophobicContact CD2-CD1 4.35Å; L682-I686 HydrophobicContact CG-CD1 3.87Å; L682-I686 HydrophobicContact CG-CG1 4.39Å; L682-I686 WeakPolarHBondContact O-CG1 3.37Å; L682-I686 PolarHBondContact O-N 3.33Å; R683-I686 PolarHBondContact O-N 3.45Å; I686-H688 VanDerWaalsContact C-N 3.33Å; I686-H688 PolarHBondContact O-N 2.93Å; I686-L689 PolarHBondContact O-N 3.31Å; I686-G690 PolarHBondContact O-N 3.25Å; I686-F716 HydrophobicContact CG2-CB 3.59Å; I686-F716 HydrophobicContact CG2-CD2 4.41Å; I686-V719 HydrophobicContact CD1-CB 4.48Å; I686-V719 HydrophobicContact CD1-CG1 4.11Å; I686-F809 HydrophobicContact CG1-CD2 4.15Å; I686-F809 HydrophobicContact CG1-CE2 3.74Å
687	H	88	Confident	82	Confident	64 Å²	64	40.7 Å²	40.7	30%	0.296	18%	0.178	S	C	.	.	H	α-helix	trans	-61.8	-40.4	175.9	-179.8	-95.2	0	0	0	112.1	R683 Y684 Y685 G690 Q691 Y713	R683-H687 VanDerWaalsContact O-CB 3.31Å; R683-H687 WeakPolarHBondContact O-CB 3.42Å; R683-H687 PolarHBondContact O-N 3.04Å; Y684-H687 PolarHBondContact O-N 3.31Å; Y685-H687 VanDerWaalsContact C-N 3.3Å; Y685-H687 PolarHBondContact O-N 3.39Å; H687-G690 WeakPolarHBondContact O-CA 3.45Å; H687-G690 PolarHBondContact O-N 3.36Å; H687-G690 VanDerWaalsContact O-N 3.16Å; H687-Q691 PolarHBondContact CE1-NE2 3.41Å; H687-Q691 PolarHBondContact O-N 2.87Å; H687-Y713 AromaticContact CD2-CD2 3.9Å; H687-Y713 AromaticContact CD2-CE2 3.85Å; H687-Y713 AromaticContact CD2-CZ 3.99Å; H687-Y713 AromaticContact NE2-CD1 3.47Å; H687-Y713 WeakPolarHBondContact NE2-CD1 3.4Å; H687-Y713 AromaticContact NE2-CE1 3.47Å; H687-Y713 WeakPolarHBondContact NE2-CE1 3.31Å; H687-Y713 AromaticContact NE2-CG 3.81Å; H687-Y713 AromaticContact NE2-CZ 3.76Å
688	H	88.7	Confident	82.8	Confident	9 Å²	9	39.9 Å²	39.9	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-63.6	-41.4	175.1	-163.9	-86.4	0	0	0	112.5	Y684 Y685 I686 G690 Q691 L692 D820 K822 T823 L826	Y684-H688 WeakPolarHBondContact O-CB 3.39Å; Y684-H688 PolarHBondContact O-N 2.9Å; Y685-H688 WeakPolarHBondContact O-CB 3.43Å; Y685-H688 PolarHBondContact O-N 3.42Å; Y685-H688 VanDerWaalsContact O-N 3.12Å; I686-H688 VanDerWaalsContact C-N 3.33Å; I686-H688 PolarHBondContact O-N 2.93Å; H688-G690 VanDerWaalsContact C-N 3.26Å; H688-G690 PolarHBondContact O-N 2.89Å; H688-Q691 WeakPolarHBondContact O-CB 3.33Å; H688-Q691 PolarHBondContact O-N 3.48Å; H688-Q691 VanDerWaalsContact O-N 3.16Å; H688-L692 PolarHBondContact O-N 3.35Å; H688-D820 IonicContact CE1-OD2 3.89Å; H688-D820 PolarHBondContact CE1-OD2 3.06Å; H688-D820 IonicContact ND1-OD2 2.73Å; H688-K822 WeakPolarHBondContact CD2-CE 3.49Å; H688-K822 PolarHBondContact CD2-NZ 3.01Å; H688-K822 WeakPolarHBondContact NE2-CD 3.48Å; H688-K822 VanDerWaalsContact NE2-CE 3.28Å; H688-K822 WeakPolarHBondContact NE2-CE 3.33Å; H688-K822 WeakPolarHBondContact NE2-CG 3.49Å; H688-K822 PolarHBondContact NE2-NZ 3.39Å; H688-T823 PolarHBondContact CE1-OG1 3.18Å; H688-T823 PolarHBondContact ND1-OG1 3.02Å; H688-L826 HydrophobicContact CB-CD1 3.69Å
689	L	88.7	Confident	83.3	Confident	0 Å²	0	40 Å²	40	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-35.6	173	-67.4	-175.9	0	0	0	111.3	Y685 I686 Q691 L692 A693 F716 F809 L812 H813 T823	Y685-L689 HydrophobicContact CD1-CD1 4.17Å; Y685-L689 HydrophobicContact CE1-CD1 3.56Å; Y685-L689 HydrophobicContact CE1-CG 4.2Å; Y685-L689 HydrophobicContact CE2-CD1 4.48Å; Y685-L689 HydrophobicContact CE2-CD2 4.32Å; Y685-L689 HydrophobicContact CE2-CG 4.33Å; Y685-L689 WeakPolarHBondContact O-CG 3.49Å; Y685-L689 PolarHBondContact O-N 3.44Å; I686-L689 PolarHBondContact O-N 3.31Å; L689-Q691 VanDerWaalsContact C-N 3.32Å; L689-Q691 PolarHBondContact O-N 3.45Å; L689-L692 HydrophobicContact CD2-CD2 4.4Å; L689-L692 PolarHBondContact O-N 3.11Å; L689-A693 VanDerWaalsContact O-CB 3.26Å; L689-A693 WeakPolarHBondContact O-CB 3.34Å; L689-A693 PolarHBondContact O-N 3.08Å; L689-F716 HydrophobicContact CB-CE2 4.37Å; L689-F809 HydrophobicContact CD1-CD2 3.61Å; L689-F809 HydrophobicContact CD1-CE2 3.62Å; L689-L812 HydrophobicContact CB-CB 4.32Å; L689-L812 HydrophobicContact CB-CD1 4.34Å; L689-L812 HydrophobicContact CD1-CB 4.13Å; L689-L812 HydrophobicContact CD2-CB 4.08Å; L689-L812 HydrophobicContact CG-CB 4.4Å; L689-H813 HydrophobicContact CD1-CB 4.33Å; L689-T823 HydrophobicContact CD2-CG2 3.49Å; L689-T823 VanDerWaalsContact CD2-CG2 3.49Å
690	G	89.3	Confident	83.3	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.9	-40.5	171.3	0	0	0	0	0	113	I686 H687 H688 W694 L714 F716	I686-G690 PolarHBondContact O-N 3.25Å; H687-G690 WeakPolarHBondContact O-CA 3.45Å; H687-G690 PolarHBondContact O-N 3.36Å; H687-G690 VanDerWaalsContact O-N 3.16Å; H688-G690 VanDerWaalsContact C-N 3.26Å; H688-G690 PolarHBondContact O-N 2.89Å; G690-W694 PolarHBondContact O-N 2.59Å; G690-L714 VanDerWaalsContact CA-O 3.23Å; G690-L714 WeakPolarHBondContact CA-O 3.42Å; G690-L714 PolarHBondContact O-N 2.94Å; G690-F716 VanDerWaalsContact CA-CE2 3.48Å
691	Q	88.6	Confident	83.3	Confident	38 Å²	38	43.1 Å²	43.1	18%	0.178	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-43.2	173.1	-68.3	176.8	-5.9	0	0	111.8	H687 H688 L689 A693 W694 K695	H687-Q691 PolarHBondContact CE1-NE2 3.41Å; H687-Q691 PolarHBondContact O-N 2.87Å; H688-Q691 WeakPolarHBondContact O-CB 3.33Å; H688-Q691 PolarHBondContact O-N 3.48Å; H688-Q691 VanDerWaalsContact O-N 3.16Å; L689-Q691 VanDerWaalsContact C-N 3.32Å; L689-Q691 PolarHBondContact O-N 3.45Å; Q691-A693 VanDerWaalsContact C-N 3.33Å; Q691-A693 PolarHBondContact O-N 3.21Å; Q691-W694 WeakPolarHBondContact O-CB 2.83Å; Q691-W694 PolarHBondContact O-N 3.17Å; Q691-K695 WeakPolarHBondContact O-CG 3.38Å; Q691-K695 PolarHBondContact O-N 3.36Å
692	L	88.8	Confident	82.5	Confident	6 Å²	6	44.5 Å²	44.5	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-62.9	-41.5	177	-178.1	61.9	0	0	0	111.5	L568 L571 H688 L689 W694 K695 A696 L812 D820	L568-L692 HydrophobicContact CD1-CD1 4.23Å; L571-L692 HydrophobicContact CD2-CD1 4.28Å; L571-L692 HydrophobicContact CD2-CD2 4.07Å; L571-L692 HydrophobicContact CD2-CG 3.98Å; H688-L692 PolarHBondContact O-N 3.35Å; L689-L692 HydrophobicContact CD2-CD2 4.4Å; L689-L692 PolarHBondContact O-N 3.11Å; L692-W694 VanDerWaalsContact C-N 3.34Å; L692-K695 PolarHBondContact O-N 3.11Å; L692-A696 WeakPolarHBondContact O-CB 3.42Å; L692-A696 PolarHBondContact O-N 2.53Å; L692-L812 HydrophobicContact CD2-CD2 4.24Å; L692-L812 HydrophobicContact CG-CD2 4.36Å; L692-D820 HydrophobicContact CD1-CB 3.73Å; L692-D820 HydrophobicContact CD2-CB 4.21Å
693	A	87.5	Confident	81.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.8	-40.5	177.3	0	0	0	0	0	111.9	L689 Q691 A696 R697 L714 F716 L812	L689-A693 VanDerWaalsContact O-CB 3.26Å; L689-A693 WeakPolarHBondContact O-CB 3.34Å; L689-A693 PolarHBondContact O-N 3.08Å; Q691-A693 VanDerWaalsContact C-N 3.33Å; Q691-A693 PolarHBondContact O-N 3.21Å; A693-A696 PolarHBondContact O-N 3.16Å; A693-R697 WeakPolarHBondContact O-CG 3.39Å; A693-R697 PolarHBondContact O-N 3.36Å; A693-L714 HydrophobicContact CB-CB 4.42Å; A693-L714 HydrophobicContact CB-CD1 3.58Å; A693-L714 HydrophobicContact CB-CG 4.47Å; A693-F716 HydrophobicContact CB-CE2 4.07Å; A693-F716 HydrophobicContact CB-CZ 3.74Å; A693-L812 HydrophobicContact CB-CD1 3.55Å; A693-L812 HydrophobicContact CB-CD2 4.38Å
694	W	86.8	Confident	80.1	Confident	56 Å²	56	56.3 Å²	56.3	21%	0.212	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-52.1	172.4	-178.6	-80.9	0	0	0	110.9	G690 Q691 L692 A696 R697 Y698 K712 L714	G690-W694 PolarHBondContact O-N 2.59Å; Q691-W694 WeakPolarHBondContact O-CB 2.83Å; Q691-W694 PolarHBondContact O-N 3.17Å; L692-W694 VanDerWaalsContact C-N 3.34Å; W694-A696 VanDerWaalsContact C-N 3.29Å; W694-A696 PolarHBondContact O-N 3.25Å; W694-R697 PolarHBondContact O-N 3.22Å; W694-Y698 AromaticContact CD1-CD2 3.92Å; W694-Y698 AromaticContact CD2-CD2 3.67Å; W694-Y698 HydrophobicContact CD2-CD2 3.67Å; W694-Y698 AromaticContact CD2-CE2 3.53Å; W694-Y698 HydrophobicContact CD2-CE2 3.53Å; W694-Y698 AromaticContact CE2-CD2 3.33Å; W694-Y698 AromaticContact CE2-CE2 3.37Å; W694-Y698 HydrophobicContact CE3-CD2 4.27Å; W694-Y698 AromaticContact CE3-CE2 3.65Å; W694-Y698 HydrophobicContact CE3-CE2 3.65Å; W694-Y698 AromaticContact CG-CD2 3.98Å; W694-Y698 HydrophobicContact CG-CD2 3.98Å; W694-Y698 HydrophobicContact CG-CE2 4.26Å; W694-Y698 HydrophobicContact CH2-CD2 4.28Å; W694-Y698 AromaticContact CH2-CE2 3.49Å; W694-Y698 HydrophobicContact CH2-CE2 3.49Å; W694-Y698 VanDerWaalsContact CH2-CE2 3.49Å; W694-Y698 AromaticContact CH2-CZ 3.93Å; W694-Y698 AromaticContact CZ2-CD2 3.66Å; W694-Y698 HydrophobicContact CZ2-CD2 3.66Å; W694-Y698 AromaticContact CZ2-CE2 3.34Å; W694-Y698 HydrophobicContact CZ2-CE2 3.34Å; W694-Y698 AromaticContact CZ3-CE2 3.65Å; W694-Y698 HydrophobicContact CZ3-CE2 3.65Å; W694-Y698 AromaticContact NE1-CD2 3.52Å; W694-Y698 VanDerWaalsContact O-CD2 3.24Å; W694-Y698 WeakPolarHBondContact O-CD2 3.39Å; W694-Y698 PolarHBondContact O-N 3.49Å; W694-Y698 VanDerWaalsContact O-N 3.12Å; W694-K712 HydrophobicContact CD2-CB 3.65Å; W694-K712 HydrophobicContact CE3-CB 4.27Å; W694-K712 HydrophobicContact CG-CB 4.02Å; W694-K712 HydrophobicContact CH2-CB 4.33Å; W694-K712 HydrophobicContact CH2-CD 4.28Å; W694-K712 HydrophobicContact CZ2-CB 3.73Å; W694-K712 HydrophobicContact CZ2-CD 3.5Å; W694-K712 HydrophobicContact CZ2-CG 4.12Å; W694-L714 HydrophobicContact CE3-CD2 4.41Å; W694-L714 HydrophobicContact CE3-CG 4.37Å
695	K	86.6	Confident	78.6	Confident	119 Å²	119	58 Å²	58	52%	0.517	29%	0.291	S	S	.	.	H	α-helix	trans	-56.7	-43	177	-71.2	178.6	179.5	-174.4	0	111.9	L568 Q691 L692 S699	L568-K695 HydrophobicContact CD1-CB 4.11Å; L568-K695 HydrophobicContact CD2-CB 4.13Å; L568-K695 WeakPolarHBondContact CD2-O 3.45Å; Q691-K695 WeakPolarHBondContact O-CG 3.38Å; Q691-K695 PolarHBondContact O-N 3.36Å; L692-K695 PolarHBondContact O-N 3.11Å; K695-S699 WeakPolarHBondContact O-CA 3.47Å; K695-S699 PolarHBondContact O-N 2.87Å
696	A	86.1	Confident	77	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.6	-53.5	176.9	0	0	0	0	0	111.4	L568 L571 N572 L575 L692 A693 W694 Y698 S699	L568-A696 HydrophobicContact CD1-CB 3.93Å; L571-A696 HydrophobicContact CB-CB 4.45Å; L571-A696 HydrophobicContact CD2-CB 4.12Å; L571-A696 HydrophobicContact CG-CB 4.17Å; N572-A696 HydrophobicContact CB-CB 4.35Å; N572-A696 WeakPolarHBondContact CB-O 3.26Å; N572-A696 PolarHBondContact ND2-O 2.73Å; L575-A696 HydrophobicContact CD1-CB 4.06Å; L692-A696 WeakPolarHBondContact O-CB 3.42Å; L692-A696 PolarHBondContact O-N 2.53Å; A693-A696 PolarHBondContact O-N 3.16Å; W694-A696 VanDerWaalsContact C-N 3.29Å; W694-A696 PolarHBondContact O-N 3.25Å; A696-Y698 VanDerWaalsContact C-N 3.29Å; A696-Y698 PolarHBondContact O-N 3.19Å; A696-S699 WeakPolarHBondContact O-CB 3.41Å; A696-S699 PolarHBondContact O-N 3.31Å; A696-S699 PolarHBondContact O-OG 3.39Å
697	R	82.8	Confident	75.2	Confident	91 Å²	91	65.5 Å²	65.5	34%	0.343	34%	0.337	S	S	.	.	H	α-helix	trans	-59.3	-38.9	-177.2	-76.3	-165.8	-176.6	160.9	0.2	113.6	N572 A693 W694	N572-R697 PolarHBondContact ND2-O 3.24Å; N572-R697 WeakPolarHBondContact OD1-CA 3.4Å; A693-R697 WeakPolarHBondContact O-CG 3.39Å; A693-R697 PolarHBondContact O-N 3.36Å; W694-R697 PolarHBondContact O-N 3.22Å
698	Y	81.6	Confident	73.5	Confident	84 Å²	84	67.6 Å²	67.6	33%	0.329	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	15.3	-176	-59.1	-69.7	0	0	0	114.1	W694 A696 S700 I701 F706	W694-Y698 AromaticContact CD1-CD2 3.92Å; W694-Y698 AromaticContact CD2-CD2 3.67Å; W694-Y698 HydrophobicContact CD2-CD2 3.67Å; W694-Y698 AromaticContact CD2-CE2 3.53Å; W694-Y698 HydrophobicContact CD2-CE2 3.53Å; W694-Y698 AromaticContact CE2-CD2 3.33Å; W694-Y698 AromaticContact CE2-CE2 3.37Å; W694-Y698 HydrophobicContact CE3-CD2 4.27Å; W694-Y698 AromaticContact CE3-CE2 3.65Å; W694-Y698 HydrophobicContact CE3-CE2 3.65Å; W694-Y698 AromaticContact CG-CD2 3.98Å; W694-Y698 HydrophobicContact CG-CD2 3.98Å; W694-Y698 HydrophobicContact CG-CE2 4.26Å; W694-Y698 HydrophobicContact CH2-CD2 4.28Å; W694-Y698 AromaticContact CH2-CE2 3.49Å; W694-Y698 HydrophobicContact CH2-CE2 3.49Å; W694-Y698 VanDerWaalsContact CH2-CE2 3.49Å; W694-Y698 AromaticContact CH2-CZ 3.93Å; W694-Y698 AromaticContact CZ2-CD2 3.66Å; W694-Y698 HydrophobicContact CZ2-CD2 3.66Å; W694-Y698 AromaticContact CZ2-CE2 3.34Å; W694-Y698 HydrophobicContact CZ2-CE2 3.34Å; W694-Y698 AromaticContact CZ3-CE2 3.65Å; W694-Y698 HydrophobicContact CZ3-CE2 3.65Å; W694-Y698 AromaticContact NE1-CD2 3.52Å; W694-Y698 VanDerWaalsContact O-CD2 3.24Å; W694-Y698 WeakPolarHBondContact O-CD2 3.39Å; W694-Y698 PolarHBondContact O-N 3.49Å; W694-Y698 VanDerWaalsContact O-N 3.12Å; A696-Y698 VanDerWaalsContact C-N 3.29Å; A696-Y698 PolarHBondContact O-N 3.19Å; Y698-S700 PolarHBondContact O-N 2.86Å; Y698-S700 VanDerWaalsContact O-N 3.16Å; Y698-I701 HydrophobicContact CD1-CD1 3.68Å; Y698-I701 HydrophobicContact CE1-CD1 4.49Å; Y698-I701 PolarHBondContact O-N 3.31Å; Y698-F706 HydrophobicContact CG-CZ 4.39Å
699	S	76.4	Confident	71.8	Confident	31 Å²	31	71.6 Å²	71.6	22%	0.217	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.8	178.7	48.8	0	0	0	0	114.6	K695 A696 I701	K695-S699 WeakPolarHBondContact O-CA 3.47Å; K695-S699 PolarHBondContact O-N 2.87Å; A696-S699 WeakPolarHBondContact O-CB 3.41Å; A696-S699 PolarHBondContact O-N 3.31Å; A696-S699 PolarHBondContact O-OG 3.39Å; S699-I701 VanDerWaalsContact C-N 3.29Å; S699-I701 PolarHBondContact O-N 3.22Å
700	S	69.9	Low	70.1	Confident	93 Å²	93	75.5 Å²	75.5	65%	0.65	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-9.6	177.3	62.9	0	0	0	0	114	Y698	Y698-S700 PolarHBondContact O-N 2.86Å; Y698-S700 VanDerWaalsContact O-N 3.16Å
701	I	71.4	Confident	68.8	Low	68 Å²	68	79 Å²	79	35%	0.349	45%	0.446	S	S	.	.	S	Bend	trans	-96.8	121.4	-179.1	-55.7	-176.5	0	0	0	107.9	Y698 S699 D703 H705 F706	Y698-I701 HydrophobicContact CD1-CD1 3.68Å; Y698-I701 HydrophobicContact CE1-CD1 4.49Å; Y698-I701 PolarHBondContact O-N 3.31Å; S699-I701 VanDerWaalsContact C-N 3.29Å; S699-I701 PolarHBondContact O-N 3.22Å; I701-D703 PolarHBondContact O-N 3.27Å; I701-H705 HydrophobicContact CG2-CB 4.48Å; I701-F706 HydrophobicContact CB-CE2 3.91Å; I701-F706 HydrophobicContact CB-CZ 3.87Å; I701-F706 HydrophobicContact CD1-CZ 4.15Å; I701-F706 HydrophobicContact CG2-CE2 3.67Å; I701-F706 HydrophobicContact CG2-CZ 3.64Å
702	A	58.3	Low	68.3	Low	65 Å²	65	80.1 Å²	80.1	54%	0.537	45%	0.45	S	S	.	.			trans	-56	136.4	177.4	0	0	0	0	0	111.3	Q704 H705	A702-Q704 PolarHBondContact O-N 3.09Å; A702-H705 PolarHBondContact O-N 3.18Å
703	D	56.3	Low	68	Low	151 Å²	151	84.4 Å²	84.4	81%	0.807	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-51	-19.7	-176.1	-76.7	-32.8	0	0	0	114.4	I701 H705 F706	I701-D703 PolarHBondContact O-N 3.27Å; D703-H705 PolarHBondContact O-N 3.26Å; D703-H705 VanDerWaalsContact O-N 3.13Å; D703-F706 PolarHBondContact O-N 3.44Å
704	Q	52.3	Low	67.8	Low	177 Å²	177	85.9 Å²	85.9	83%	0.827	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-60.9	-19.7	-178.1	-67.4	-176.6	-6.3	0	0	114.7	A702	A702-Q704 PolarHBondContact O-N 3.09Å
705	H	51.3	Low	67.7	Low	150 Å²	150	88.1 Å²	88.1	69%	0.694	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-96.3	6.5	-178.4	-74.3	-67.3	0	0	0	115.4	I701 A702 D703	I701-H705 HydrophobicContact CG2-CB 4.48Å; A702-H705 PolarHBondContact O-N 3.18Å; D703-H705 PolarHBondContact O-N 3.26Å; D703-H705 VanDerWaalsContact O-N 3.13Å
706	F	53.2	Low	67.6	Low	64 Å²	64	82.9 Å²	82.9	28%	0.281	47%	0.468	S	S	.	.			trans	-115.8	56.7	-176.2	-56.5	-67.2	0	0	0	113.1	Y698 I701 D703 D708 K712	Y698-F706 HydrophobicContact CG-CZ 4.39Å; I701-F706 HydrophobicContact CB-CE2 3.91Å; I701-F706 HydrophobicContact CB-CZ 3.87Å; I701-F706 HydrophobicContact CD1-CZ 4.15Å; I701-F706 HydrophobicContact CG2-CE2 3.67Å; I701-F706 HydrophobicContact CG2-CZ 3.64Å; D703-F706 PolarHBondContact O-N 3.44Å; F706-D708 PolarHBondContact O-N 2.68Å; F706-K712 HydrophobicContact CD1-CD 4.23Å
707	S	47.2	Very low	67.4	Low	109 Å²	109	86.7 Å²	86.7	76%	0.762	49%	0.494	S	S	*	.			trans	-90.7	33.4	179.9	62.3	0	0	0	0	115
708	D	52.7	Low	67.4	Low	108 Å²	108	82.6 Å²	82.6	58%	0.578	48%	0.481	S	S	*	.			trans	-109.7	118.9	169.8	-70.4	-32.7	0	0	0	108.6	F706 S710	F706-D708 PolarHBondContact O-N 2.68Å; D708-S710 PolarHBondContact O-N 3.13Å
709	G	51.4	Low	67.4	Low	94 Å²	94	78.6 Å²	78.6	97%	0.969	47%	0.465	S	S	*	.			trans	-65.1	7.4	-176	0	0	0	0	0	116
710	S	53.9	Low	67.5	Low	81 Å²	81	78.4 Å²	78.4	57%	0.566	46%	0.462	S	S	*	.	S	Bend	trans	-74.2	125	167	58.2	0	0	0	0	108.6	D708 K712	D708-S710 PolarHBondContact O-N 3.13Å; S710-K712 PolarHBondContact O-N 3.28Å
711	S	61.3	Low	68.1	Low	74 Å²	74	76.1 Å²	76.1	52%	0.517	44%	0.444	S	S	.	.			trans	-58.5	105.9	171.4	57.4	0	0	0	0	107.7	Y713	S711-Y713 WeakPolarHBondContact O-CD1 3.43Å; S711-Y713 PolarHBondContact O-N 3.23Å
712	K	78.3	Confident	68.4	Low	61 Å²	61	73 Å²	73	27%	0.265	43%	0.428	S	S	.	.			trans	-74.6	123.6	179.9	-58.9	-173.8	178.7	-178.4	0	108.8	W694 F706 S710	W694-K712 HydrophobicContact CD2-CB 3.65Å; W694-K712 HydrophobicContact CE3-CB 4.27Å; W694-K712 HydrophobicContact CG-CB 4.02Å; W694-K712 HydrophobicContact CH2-CB 4.33Å; W694-K712 HydrophobicContact CH2-CD 4.28Å; W694-K712 HydrophobicContact CZ2-CB 3.73Å; W694-K712 HydrophobicContact CZ2-CD 3.5Å; W694-K712 HydrophobicContact CZ2-CG 4.12Å; F706-K712 HydrophobicContact CD1-CD 4.23Å; S710-K712 PolarHBondContact O-N 3.28Å
713	Y	82.7	Confident	69.2	Low	97 Å²	97	70.3 Å²	70.3	38%	0.38	41%	0.405	S	S	.	.			trans	-143	154.6	178.5	65.5	-90.5	0	0	0	110.1	H687 S711 N715	H687-Y713 AromaticContact CD2-CD2 3.9Å; H687-Y713 AromaticContact CD2-CE2 3.85Å; H687-Y713 AromaticContact CD2-CZ 3.99Å; H687-Y713 AromaticContact NE2-CD1 3.47Å; H687-Y713 WeakPolarHBondContact NE2-CD1 3.4Å; H687-Y713 AromaticContact NE2-CE1 3.47Å; H687-Y713 WeakPolarHBondContact NE2-CE1 3.31Å; H687-Y713 AromaticContact NE2-CG 3.81Å; H687-Y713 AromaticContact NE2-CZ 3.76Å; S711-Y713 WeakPolarHBondContact O-CD1 3.43Å; S711-Y713 PolarHBondContact O-N 3.23Å; Y713-N715 HydrophobicContact CE2-CB 4.2Å
714	L	83.1	Confident	70.2	Confident	31 Å²	31	65.7 Å²	65.7	16%	0.162	38%	0.376	C	S	.	.			trans	-82.6	124.2	166	-72.3	168.1	0	0	0	109	G690 A693 W694 F716	G690-L714 VanDerWaalsContact CA-O 3.23Å; G690-L714 WeakPolarHBondContact CA-O 3.42Å; G690-L714 PolarHBondContact O-N 2.94Å; A693-L714 HydrophobicContact CB-CB 4.42Å; A693-L714 HydrophobicContact CB-CD1 3.58Å; A693-L714 HydrophobicContact CB-CG 4.47Å; W694-L714 HydrophobicContact CE3-CD2 4.41Å; W694-L714 HydrophobicContact CE3-CG 4.37Å; L714-F716 HydrophobicContact CB-CE1 4.22Å; L714-F716 HydrophobicContact CB-CZ 4.2Å; L714-F716 PolarHBondContact O-N 3.22Å
715	N	84.8	Confident	71.4	Confident	102 Å²	102	60.2 Å²	60.2	55%	0.545	35%	0.35	S	S	.	.			trans	-73.3	125.3	175.9	-172.4	8.7	0	0	0	109.4	Y713 S717	Y713-N715 HydrophobicContact CE2-CB 4.2Å; N715-S717 PolarHBondContact OD1-N 3.19Å
716	F	85.1	Confident	72.5	Confident	10 Å²	10	53.4 Å²	53.4	4%	0.044	32%	0.319	C	S	.	.			trans	-113.7	42.6	179.6	-73.9	-34.3	0	0	0	110.7	I686 L689 G690 A693 L714 G718 V719 D805 T808 L812	I686-F716 HydrophobicContact CG2-CB 3.59Å; I686-F716 HydrophobicContact CG2-CD2 4.41Å; L689-F716 HydrophobicContact CB-CE2 4.37Å; G690-F716 VanDerWaalsContact CA-CE2 3.48Å; A693-F716 HydrophobicContact CB-CE2 4.07Å; A693-F716 HydrophobicContact CB-CZ 3.74Å; L714-F716 HydrophobicContact CB-CE1 4.22Å; L714-F716 HydrophobicContact CB-CZ 4.2Å; L714-F716 PolarHBondContact O-N 3.22Å; F716-G718 PolarHBondContact O-N 3.03Å; F716-V719 HydrophobicContact CB-CG2 3.7Å; F716-V719 HydrophobicContact CG-CG2 4.28Å; F716-V719 WeakPolarHBondContact O-CB 2.87Å; F716-V719 WeakPolarHBondContact O-CG2 2.76Å; F716-V719 PolarHBondContact O-N 3.18Å; F716-D805 HydrophobicContact CD1-CB 4.19Å; F716-T808 HydrophobicContact CE1-CG2 3.64Å; F716-T808 HydrophobicContact CZ-CG2 3.47Å; F716-T808 VanDerWaalsContact CZ-CG2 3.47Å; F716-L812 HydrophobicContact CE2-CD1 3.62Å; F716-L812 HydrophobicContact CZ-CD1 3.68Å
717	S	82.6	Confident	73.2	Confident	79 Å²	79	51.6 Å²	51.6	55%	0.552	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.6	-179.2	49.6	0	0	0	0	112.8	N715 V719 P721	N715-S717 PolarHBondContact OD1-N 3.19Å; S717-V719 VanDerWaalsContact C-N 3.3Å; S717-V719 PolarHBondContact O-N 3.43Å; S717-P721 VanDerWaalsContact O-CD 3.32Å; S717-P721 WeakPolarHBondContact O-CD 3.33Å
718	G	82.5	Confident	74.4	Confident	6 Å²	6	50.9 Å²	50.9	6%	0.062	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.4	178.5	0	0	0	0	0	115.3	F716 P721 V722 D805	F716-G718 PolarHBondContact O-N 3.03Å; G718-P721 WeakPolarHBondContact O-CD 3.48Å; G718-V722 WeakPolarHBondContact O-CG2 3.33Å; G718-V722 PolarHBondContact O-N 2.69Å; G718-D805 PolarHBondContact N-OD2 2.98Å
719	V	79.8	Confident	75.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.2	-48.1	-175.3	175.2	0	0	0	0	112.2	I686 F716 S717 V722 L723 D805 Y806 F809	I686-V719 HydrophobicContact CD1-CB 4.48Å; I686-V719 HydrophobicContact CD1-CG1 4.11Å; F716-V719 HydrophobicContact CB-CG2 3.7Å; F716-V719 HydrophobicContact CG-CG2 4.28Å; F716-V719 WeakPolarHBondContact O-CB 2.87Å; F716-V719 WeakPolarHBondContact O-CG2 2.76Å; F716-V719 PolarHBondContact O-N 3.18Å; S717-V719 VanDerWaalsContact C-N 3.3Å; S717-V719 PolarHBondContact O-N 3.43Å; V719-V722 PolarHBondContact O-N 3.23Å; V719-L723 WeakPolarHBondContact O-CB 3.43Å; V719-L723 PolarHBondContact O-N 3.27Å; V719-D805 HydrophobicContact CG2-CB 4.02Å; V719-Y806 HydrophobicContact CG1-CD2 4.47Å; V719-F809 HydrophobicContact CB-CB 4.47Å; V719-F809 HydrophobicContact CB-CG 4.44Å; V719-F809 HydrophobicContact CG1-CB 4.02Å; V719-F809 HydrophobicContact CG1-CD1 3.6Å; V719-F809 HydrophobicContact CG1-CD2 3.87Å; V719-F809 HydrophobicContact CG1-CE1 4Å; V719-F809 HydrophobicContact CG1-CE2 4.24Å; V719-F809 HydrophobicContact CG1-CG 3.54Å; V719-F809 HydrophobicContact CG1-CZ 4.3Å; V719-F809 HydrophobicContact CG2-CB 3.54Å; V719-F809 HydrophobicContact CG2-CD2 4.43Å; V719-F809 HydrophobicContact CG2-CG 3.99Å
720	L	80.5	Confident	75.9	Confident	27 Å²	27	43.2 Å²	43.2	14%	0.141	23%	0.231	C	C	.	.	H	α-helix	trans	-65.1	-42.4	-172.5	-173	63.1	0	0	0	112.6	L630 L682 L723 Y724	L630-L720 HydrophobicContact CD1-CD2 3.75Å; L630-L720 HydrophobicContact CD1-CG 4.35Å; L630-L720 HydrophobicContact CD2-CD2 4Å; L682-L720 HydrophobicContact CD2-CD1 3.77Å; L720-L723 HydrophobicContact CD1-CD2 4.45Å; L720-L723 PolarHBondContact O-N 2.94Å; L720-Y724 WeakPolarHBondContact O-CB 3.18Å; L720-Y724 PolarHBondContact O-N 3.2Å
721	P	82	Confident	76.3	Confident	45 Å²	45	42 Å²	42	29%	0.292	22%	0.217	S	C	.	.	H	α-helix	trans	-60.2	-44.6	172.1	-25.6	34.6	0	0	0	114.1	S717 G718 L723 Y724 K725	S717-P721 VanDerWaalsContact O-CD 3.32Å; S717-P721 WeakPolarHBondContact O-CD 3.33Å; G718-P721 WeakPolarHBondContact O-CD 3.48Å; P721-L723 VanDerWaalsContact C-N 3.35Å; P721-Y724 PolarHBondContact O-N 2.85Å; P721-K725 WeakPolarHBondContact O-CB 3.47Å; P721-K725 WeakPolarHBondContact O-CG 3.27Å; P721-K725 PolarHBondContact O-N 3.46Å
722	V	77.3	Confident	76.4	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.012	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-43.3	179.1	175.5	0	0	0	0	110.6	G718 V719 Y724 K725 L726 T798 E802 Y806	G718-V722 WeakPolarHBondContact O-CG2 3.33Å; G718-V722 PolarHBondContact O-N 2.69Å; V719-V722 PolarHBondContact O-N 3.23Å; V722-Y724 VanDerWaalsContact C-N 3.34Å; V722-Y724 PolarHBondContact O-N 3.16Å; V722-K725 WeakPolarHBondContact O-CB 3.46Å; V722-K725 PolarHBondContact O-N 3.17Å; V722-L726 HydrophobicContact CG1-CD1 3.9Å; V722-L726 HydrophobicContact CG1-CG 4.33Å; V722-L726 WeakPolarHBondContact O-CG 3.12Å; V722-L726 PolarHBondContact O-N 3.24Å; V722-T798 HydrophobicContact CG2-CG2 4.39Å; V722-E802 HydrophobicContact CG2-CB 3.71Å; V722-Y806 HydrophobicContact CB-CD2 4.01Å; V722-Y806 HydrophobicContact CB-CG 4.1Å; V722-Y806 HydrophobicContact CG1-CD1 3.88Å; V722-Y806 HydrophobicContact CG1-CD2 3.63Å; V722-Y806 HydrophobicContact CG1-CE1 4.35Å; V722-Y806 HydrophobicContact CG1-CE2 4.15Å; V722-Y806 HydrophobicContact CG1-CG 3.48Å; V722-Y806 VanDerWaalsContact CG1-CG 3.48Å
723	L	75.8	Confident	75.6	Confident	8 Å²	8	40.3 Å²	40.3	4%	0.042	20%	0.203	C	C	.	.	H	α-helix	trans	-60.8	-44.3	178.1	-179	66	0	0	0	111.7	M615 L682 V719 L720 P721 L726 Q727 Y806	M615-L723 HydrophobicContact CE-CD1 3.33Å; M615-L723 HydrophobicContact CE-CD2 3.37Å; M615-L723 HydrophobicContact CE-CG 3.91Å; M615-L723 HydrophobicContact CG-CD1 4.31Å; M615-L723 HydrophobicContact SD-CD1 3.6Å; M615-L723 VanDerWaalsContact SD-CD1 3.6Å; M615-L723 HydrophobicContact SD-CD2 3.48Å; M615-L723 WeakPolarHBondContact SD-CD2 3.47Å; M615-L723 HydrophobicContact SD-CG 3.89Å; L682-L723 HydrophobicContact CD2-CD2 4.08Å; V719-L723 WeakPolarHBondContact O-CB 3.43Å; V719-L723 PolarHBondContact O-N 3.27Å; L720-L723 HydrophobicContact CD1-CD2 4.45Å; L720-L723 PolarHBondContact O-N 2.94Å; P721-L723 VanDerWaalsContact C-N 3.35Å; L723-L726 PolarHBondContact O-N 3.09Å; L723-Q727 WeakPolarHBondContact O-CB 3.15Å; L723-Q727 PolarHBondContact O-N 2.84Å; L723-Y806 HydrophobicContact CD1-CE2 4.41Å
724	Y	75.8	Confident	74.4	Confident	54 Å²	54	39.4 Å²	39.4	21%	0.212	20%	0.202	C	C	.	.	H	α-helix	trans	-59.1	-50.4	174.7	173.2	-123.5	0	0	0	112.1	L622 C625 L720 P721 V722 L726 Q727 K728	L622-Y724 HydrophobicContact CB-CD2 3.52Å; L622-Y724 HydrophobicContact CB-CE2 3.5Å; L622-Y724 VanDerWaalsContact CB-CE2 3.5Å; L622-Y724 HydrophobicContact CD1-CD2 3.91Å; L622-Y724 HydrophobicContact CD2-CD2 3.16Å; L622-Y724 HydrophobicContact CD2-CE2 3.87Å; L622-Y724 HydrophobicContact CD2-CG 3.85Å; L622-Y724 HydrophobicContact CG-CD2 3.63Å; L622-Y724 HydrophobicContact CG-CE2 4.13Å; L622-Y724 WeakPolarHBondContact O-CE2 3.38Å; L622-Y724 PolarHBondContact O-OH 2.87Å; L622-Y724 VanDerWaalsContact O-OH 3.12Å; C625-Y724 PolarHBondContact O-OH 3.32Å; C625-Y724 VanDerWaalsContact O-OH 3.07Å; L720-Y724 WeakPolarHBondContact O-CB 3.18Å; L720-Y724 PolarHBondContact O-N 3.2Å; P721-Y724 PolarHBondContact O-N 2.85Å; V722-Y724 VanDerWaalsContact C-N 3.34Å; V722-Y724 PolarHBondContact O-N 3.16Å; Y724-L726 PolarHBondContact O-N 3.36Å; Y724-Q727 PolarHBondContact O-N 3.12Å; Y724-K728 PolarHBondContact O-N 2.95Å
725	K	78.4	Confident	73.3	Confident	63 Å²	63	43.2 Å²	43.2	27%	0.274	22%	0.222	S	C	.	.	H	α-helix	trans	-53.9	-49.9	177.5	-86.4	177.4	-172.7	175.7	0	112	P721 V722 L729 L794 T798 E802	P721-K725 WeakPolarHBondContact O-CB 3.47Å; P721-K725 WeakPolarHBondContact O-CG 3.27Å; P721-K725 PolarHBondContact O-N 3.46Å; V722-K725 WeakPolarHBondContact O-CB 3.46Å; V722-K725 PolarHBondContact O-N 3.17Å; K725-L729 PolarHBondContact O-N 2.92Å; K725-L794 HydrophobicContact CB-CD1 3.57Å; K725-L794 HydrophobicContact CB-CD2 4.13Å; K725-L794 HydrophobicContact CB-CG 4.16Å; K725-L794 HydrophobicContact CD-CD2 4.46Å; K725-L794 HydrophobicContact CD-CG 4.41Å; K725-L794 HydrophobicContact CG-CD1 4.18Å; K725-L794 WeakPolarHBondContact O-CD1 3.47Å; K725-T798 HydrophobicContact CD-CG2 3.69Å; K725-E802 IonicContact NZ-OE2 3.24Å
726	L	74.9	Confident	71.9	Confident	7 Å²	7	42.8 Å²	42.8	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-65.2	-39.4	177.9	-71.5	172.1	0	0	0	112.2	V722 L723 Y724 L729 N730 L791 L794 Y806	V722-L726 HydrophobicContact CG1-CD1 3.9Å; V722-L726 HydrophobicContact CG1-CG 4.33Å; V722-L726 WeakPolarHBondContact O-CG 3.12Å; V722-L726 PolarHBondContact O-N 3.24Å; L723-L726 PolarHBondContact O-N 3.09Å; Y724-L726 PolarHBondContact O-N 3.36Å; L726-L729 WeakPolarHBondContact O-CB 3.21Å; L726-L729 PolarHBondContact O-N 3.1Å; L726-N730 VanDerWaalsContact O-CG 3.23Å; L726-N730 PolarHBondContact O-N 2.85Å; L726-N730 PolarHBondContact O-ND2 3.41Å; L726-N730 PolarHBondContact O-OD1 3.42Å; L726-L791 HydrophobicContact CD2-CD1 3.97Å; L726-L794 HydrophobicContact CD2-CD2 4.45Å; L726-Y806 HydrophobicContact CD1-CD1 4.47Å; L726-Y806 HydrophobicContact CD1-CE1 3.65Å; L726-Y806 HydrophobicContact CD1-CE2 4.03Å; L726-Y806 VanDerWaalsContact CD1-OH 3.29Å; L726-Y806 WeakPolarHBondContact CD1-OH 3.41Å
727	Q	67.3	Low	70.6	Confident	26 Å²	26	50 Å²	50	12%	0.121	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-40.4	180	-165.5	63.4	10.1	0	0	112.2	I619 L622 L723 Y724 L729 N730 H731	I619-Q727 HydrophobicContact CG1-CG 3.96Å; L622-Q727 HydrophobicContact CD1-CB 4.07Å; L622-Q727 HydrophobicContact CD1-CG 4.08Å; L723-Q727 WeakPolarHBondContact O-CB 3.15Å; L723-Q727 PolarHBondContact O-N 2.84Å; Y724-Q727 PolarHBondContact O-N 3.12Å; Q727-L729 VanDerWaalsContact C-N 3.3Å; Q727-L729 PolarHBondContact O-N 2.74Å; Q727-N730 WeakPolarHBondContact O-CB 3.45Å; Q727-N730 PolarHBondContact O-N 3.41Å; Q727-N730 VanDerWaalsContact O-N 3.16Å; Q727-N730 PolarHBondContact OE1-ND2 3.23Å; Q727-H731 PolarHBondContact O-N 3.1Å
728	K	71.8	Confident	69.6	Low	93 Å²	93	48.5 Å²	48.5	40%	0.404	23%	0.234	S	C	.	.	H	α-helix	trans	-59.9	-40.5	173.7	-173.2	171.4	-176.1	167.5	0	111.7	Y724 H732	Y724-K728 PolarHBondContact O-N 2.95Å; K728-H732 PolarHBondContact O-CD2 3.07Å; K728-H732 PolarHBondContact O-N 3.3Å; K728-H732 VanDerWaalsContact O-N 3.14Å
729	L	69.6	Low	68.8	Low	18 Å²	18	55 Å²	55	9%	0.094	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-44.7	173.3	-70.6	-176.9	0	0	0	112.2	K725 L726 Q727 H732 S733 Y787 K790 L791 L794	K725-L729 PolarHBondContact O-N 2.92Å; L726-L729 WeakPolarHBondContact O-CB 3.21Å; L726-L729 PolarHBondContact O-N 3.1Å; Q727-L729 VanDerWaalsContact C-N 3.3Å; Q727-L729 PolarHBondContact O-N 2.74Å; L729-H732 PolarHBondContact O-N 2.85Å; L729-S733 WeakPolarHBondContact O-CB 3.45Å; L729-S733 PolarHBondContact O-N 3.41Å; L729-Y787 HydrophobicContact CB-CD2 4.45Å; L729-Y787 HydrophobicContact CB-CE2 4.14Å; L729-K790 HydrophobicContact CD2-CB 3.54Å; L729-K790 HydrophobicContact CD2-CD 4.24Å; L729-K790 HydrophobicContact CD2-CG 4.48Å; L729-L791 HydrophobicContact CD1-CB 4.29Å; L729-L791 HydrophobicContact CD1-CD1 4.19Å; L729-L794 HydrophobicContact CD1-CB 4Å; L729-L794 HydrophobicContact CD1-CD1 3.34Å; L729-L794 HydrophobicContact CD1-CG 4.15Å; L729-L794 HydrophobicContact CD2-CD1 4.25Å; L729-L794 HydrophobicContact CG-CD1 3.61Å
730	N	66.4	Low	68.3	Low	24 Å²	24	57 Å²	57	13%	0.128	28%	0.284	C	S	.	.	H	α-helix	trans	-60.8	-47.4	178.8	-65	-21.1	0	0	0	110.8	T587 L726 Q727 H732 S733 E734 Y787	T587-N730 WeakPolarHBondContact CB-OD1 3.24Å; T587-N730 WeakPolarHBondContact CG2-ND2 3.4Å; T587-N730 VanDerWaalsContact CG2-OD1 3.26Å; T587-N730 WeakPolarHBondContact CG2-OD1 3.32Å; T587-N730 PolarHBondContact OG1-OD1 3.37Å; L726-N730 VanDerWaalsContact O-CG 3.23Å; L726-N730 PolarHBondContact O-N 2.85Å; L726-N730 PolarHBondContact O-ND2 3.41Å; L726-N730 PolarHBondContact O-OD1 3.42Å; Q727-N730 WeakPolarHBondContact O-CB 3.45Å; Q727-N730 PolarHBondContact O-N 3.41Å; Q727-N730 VanDerWaalsContact O-N 3.16Å; Q727-N730 PolarHBondContact OE1-ND2 3.23Å; N730-H732 PolarHBondContact O-N 3.16Å; N730-S733 WeakPolarHBondContact O-CB 3.29Å; N730-S733 PolarHBondContact O-N 2.87Å; N730-S733 PolarHBondContact O-OG 3.25Å; N730-E734 WeakPolarHBondContact O-CG 3.44Å; N730-E734 PolarHBondContact O-N 2.94Å; N730-Y787 WeakPolarHBondContact OD1-CE2 3.32Å
731	H	62.6	Low	68.1	Low	56 Å²	56	60.4 Å²	60.4	26%	0.259	30%	0.299	S	S	.	.	H	α-helix	trans	-60.8	-44.2	179.5	-164.2	60.2	0	0	0	112.2	Q727 S733 E734 I735	Q727-H731 PolarHBondContact O-N 3.1Å; H731-S733 VanDerWaalsContact C-N 3.28Å; H731-S733 PolarHBondContact O-N 3.45Å; H731-E734 PolarHBondContact O-N 3.41Å; H731-I735 WeakPolarHBondContact O-CG1 3.4Å; H731-I735 PolarHBondContact O-N 3.16Å
732	H	62.9	Low	68.1	Low	78 Å²	78	62.8 Å²	62.8	36%	0.361	31%	0.305	S	S	.	.	H	α-helix	trans	-61.4	-34.6	173.4	-76.4	-55	0	0	0	113.3	K728 L729 N730 E734 N736	K728-H732 PolarHBondContact O-CD2 3.07Å; K728-H732 PolarHBondContact O-N 3.3Å; K728-H732 VanDerWaalsContact O-N 3.14Å; L729-H732 PolarHBondContact O-N 2.85Å; N730-H732 PolarHBondContact O-N 3.16Å; H732-E734 VanDerWaalsContact C-N 3.35Å; H732-N736 PolarHBondContact O-N 2.87Å
733	S	61.6	Low	68.6	Low	21 Å²	21	63.5 Å²	63.5	15%	0.147	31%	0.309	C	S	.	.	H	α-helix	trans	-71.7	-28.5	178.2	78.8	0	0	0	0	113.2	L729 N730 H731 N736 N784	L729-S733 WeakPolarHBondContact O-CB 3.45Å; L729-S733 PolarHBondContact O-N 3.41Å; N730-S733 WeakPolarHBondContact O-CB 3.29Å; N730-S733 PolarHBondContact O-N 2.87Å; N730-S733 PolarHBondContact O-OG 3.25Å; H731-S733 VanDerWaalsContact C-N 3.28Å; H731-S733 PolarHBondContact O-N 3.45Å; S733-N736 CarbonylContact O-C 3.53Å; S733-N784 PolarHBondContact O-ND2 3.26Å
734	E	57.3	Low	69.3	Low	77 Å²	77	64 Å²	64	36%	0.36	31%	0.312	S	S	.	.	H	α-helix	trans	-74.3	-34.7	177.9	-70.1	-167.4	147.1	0	0	112.6	N730 H731 H732 K1133	N730-E734 WeakPolarHBondContact O-CG 3.44Å; N730-E734 PolarHBondContact O-N 2.94Å; H731-E734 PolarHBondContact O-N 3.41Å; H732-E734 VanDerWaalsContact C-N 3.35Å; E734-K1133 WeakPolarHBondContact OE1-CE 3.35Å; E734-K1133 IonicContact OE1-NZ 3.07Å; E734-K1133 PolarHBondContact OE1-NZ 3.4Å
735	I	59.7	Low	69.8	Low	112 Å²	112	61.5 Å²	61.5	57%	0.574	30%	0.302	S	S	*	.	H	α-helix	trans	-72.3	-42.1	176.6	-60.7	166.2	0	0	0	110.2	H731	H731-I735 WeakPolarHBondContact O-CG1 3.4Å; H731-I735 PolarHBondContact O-N 3.16Å
736	N	57.3	Low	70.3	Confident	92 Å²	92	63.6 Å²	63.6	49%	0.492	31%	0.309	S	S	.	.	S	Bend	trans	-107.8	72.3	-178.6	-67.5	-5.3	0	0	0	111.2	H732 S733 T738 N784	H732-N736 PolarHBondContact O-N 2.87Å; S733-N736 CarbonylContact O-C 3.53Å; N736-T738 PolarHBondContact O-N 3.48Å; N736-N784 PolarHBondContact O-ND2 3.34Å
737	R	57	Low	71.1	Confident	162 Å²	162	67.3 Å²	67.3	61%	0.611	33%	0.326	S	S	*	.			trans	-72.4	112.8	171.5	-67.6	-173.7	-176.3	-176.8	-1.9	109.8
738	T	62.1	Low	72.1	Confident	47 Å²	47	66.1 Å²	66.1	29%	0.288	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-87	157.8	169.3	47.2	0	0	0	0	110.2	N736 T783 N784	N736-T738 PolarHBondContact O-N 3.48Å; T738-T783 VanDerWaalsContact O-O 3.1Å; T738-N784 WeakPolarHBondContact OG1-CA 3.17Å; T738-N784 PolarHBondContact OG1-OD1 2.93Å
739	N	64.1	Low	73.1	Confident	142 Å²	142	63 Å²	63	76%	0.759	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-68.4	142.6	173.8	-72.8	-17.1	0	0	0	109.6	Q741	N739-Q741 WeakPolarHBondContact O-CG 3.36Å; N739-Q741 PolarHBondContact O-N 2.82Å
740	A	70.2	Confident	74.2	Confident	44 Å²	44	67.7 Å²	67.7	36%	0.364	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-59.8	130.3	175.3	0	0	0	0	0	110.5	W781 V782	A740-W781 HydrophobicContact CB-CE3 4.15Å; A740-V782 CarbonylContact C-O 3.58Å; A740-V782 VanDerWaalsContact CA-O 3.22Å; A740-V782 WeakPolarHBondContact CA-O 3.18Å
741	Q	77	Confident	75.3	Confident	97 Å²	97	68.5 Å²	68.5	45%	0.453	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139.7	-179.2	-63.1	-166	9.6	0	0	110.9	N739 I743 W781 V782 I785	N739-Q741 WeakPolarHBondContact O-CG 3.36Å; N739-Q741 PolarHBondContact O-N 2.82Å; Q741-I743 HydrophobicContact CB-CG2 4.41Å; Q741-W781 CarbonylContact O-C 3.43Å; Q741-W781 WeakPolarHBondContact O-CA 3.45Å; Q741-V782 PolarHBondContact N-O 3.33Å; Q741-V782 PolarHBondContact O-N 3.21Å; Q741-I785 HydrophobicContact CB-CD1 3.77Å; Q741-I785 HydrophobicContact CB-CG1 4.49Å; Q741-I785 HydrophobicContact CG-CD1 3.83Å
742	K	82.3	Confident	76.5	Confident	96 Å²	96	65.9 Å²	65.9	42%	0.417	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	111.2	176.7	-172.4	-179.9	175	-169.7	0	109.5	N595 V780 W781	N595-K742 WeakPolarHBondContact ND2-CE 3.16Å; N595-K742 VanDerWaalsContact OD1-CE 3.27Å; N595-K742 WeakPolarHBondContact OD1-CE 3.42Å; K742-V780 WeakPolarHBondContact CA-O 3.46Å; K742-W781 HydrophobicContact CB-CD2 4.01Å; K742-W781 HydrophobicContact CB-CE3 4.05Å; K742-W781 HydrophobicContact CB-CH2 4.15Å; K742-W781 HydrophobicContact CB-CZ2 4.1Å; K742-W781 HydrophobicContact CB-CZ3 4.13Å; K742-W781 HydrophobicContact CD-CZ2 3.99Å; K742-W781 HydrophobicContact CG-CD2 4.43Å; K742-W781 HydrophobicContact CG-CZ2 4.41Å
743	I	86.4	Confident	77.7	Confident	17 Å²	17	65.9 Å²	65.9	9%	0.087	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	167	-178.6	64.4	172.3	0	0	0	110.9	Q741 E747 L748 I751 Q779 V780 V782	Q741-I743 HydrophobicContact CB-CG2 4.41Å; I743-E747 WeakPolarHBondContact CA-OE2 3.2Å; I743-E747 HydrophobicContact CB-CB 4.24Å; I743-E747 WeakPolarHBondContact CB-OE2 3.37Å; I743-L748 HydrophobicContact CD1-CB 3.84Å; I743-L748 HydrophobicContact CD1-CD1 4.16Å; I743-I751 HydrophobicContact CD1-CD1 3.66Å; I743-Q779 CarbonylContact O-C 3.54Å; I743-Q779 WeakPolarHBondContact O-CA 3.27Å; I743-V780 HydrophobicContact CG1-CG2 4.13Å; I743-V780 PolarHBondContact N-O 2.69Å; I743-V780 WeakPolarHBondContact O-CG2 3.01Å; I743-V780 PolarHBondContact O-N 2.79Å; I743-V782 HydrophobicContact CD1-CB 4.3Å; I743-V782 HydrophobicContact CD1-CG2 3.76Å; I743-V782 HydrophobicContact CG1-CB 4.41Å; I743-V782 HydrophobicContact CG1-CG2 3.76Å
744	T	89.9	Confident	78.8	Confident	19 Å²	19	70.5 Å²	70.5	12%	0.117	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	156.2	172.2	61.4	0	0	0	0	111.7	R746 E747 L748 M778 Q779	T744-R746 PolarHBondContact O-N 3.36Å; T744-E747 PolarHBondContact N-OE2 3.49Å; T744-E747 PolarHBondContact O-N 2.86Å; T744-E747 VanDerWaalsContact O-N 3.11Å; T744-E747 VanDerWaalsContact OG1-CD 3.29Å; T744-E747 VanDerWaalsContact OG1-CG 3.3Å; T744-E747 WeakPolarHBondContact OG1-CG 3.48Å; T744-E747 PolarHBondContact OG1-N 2.84Å; T744-E747 PolarHBondContact OG1-OE2 3.12Å; T744-L748 PolarHBondContact O-N 3.48Å; T744-M778 WeakPolarHBondContact CA-O 3.37Å; T744-Q779 HydrophobicContact CG2-CG 4.15Å
745	I	86.4	Confident	80.1	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-56	-35	172.7	-67.4	177.9	0	0	0	110.8	L748 M749 F758 P759 L762 M774 S776 M778 V780	I745-L748 PolarHBondContact O-N 3.14Å; I745-M749 HydrophobicContact CG2-CG 4.49Å; I745-M749 VanDerWaalsContact O-CG 3.31Å; I745-M749 WeakPolarHBondContact O-CG 3.37Å; I745-M749 PolarHBondContact O-N 3.33Å; I745-F758 HydrophobicContact CG2-CB 3.65Å; I745-P759 HydrophobicContact CG2-CG 3.78Å; I745-L762 HydrophobicContact CD1-CD1 3.85Å; I745-M774 HydrophobicContact CD1-CB 4.41Å; I745-M774 HydrophobicContact CD1-SD 4.06Å; I745-S776 PolarHBondContact N-O 2.79Å; I745-M778 HydrophobicContact CD1-CB 3.88Å; I745-M778 HydrophobicContact CD1-CG 4.4Å; I745-M778 HydrophobicContact CD1-SD 4.4Å; I745-M778 HydrophobicContact CG1-CB 4.38Å; I745-M778 PolarHBondContact N-O 3.14Å; I745-V780 HydrophobicContact CD1-CG1 4.23Å; I745-V780 HydrophobicContact CG1-CG1 3.68Å; I745-V780 HydrophobicContact CG1-CG2 4.41Å
746	R	90.6	Very high	81.2	Confident	108 Å²	108	65 Å²	65	41%	0.408	32%	0.315	S	S	.	.	H	α-helix	trans	-62.8	-45.8	175.4	-170.1	-178.6	-53	102.8	6.4	112.7	T744 L748 M749 Q750 S776	T744-R746 PolarHBondContact O-N 3.36Å; R746-L748 VanDerWaalsContact C-N 3.32Å; R746-M749 WeakPolarHBondContact O-CB 3.35Å; R746-M749 PolarHBondContact O-N 3.28Å; R746-Q750 WeakPolarHBondContact O-CG 3.44Å; R746-Q750 PolarHBondContact O-N 2.82Å; R746-S776 WeakPolarHBondContact CB-O 3.47Å; R746-S776 PolarHBondContact N-O 2.49Å; R746-S776 PolarHBondContact NH2-OG 3.26Å
747	E	91.4	Very high	82.5	Confident	85 Å²	85	64.3 Å²	64.3	40%	0.397	31%	0.312	S	S	.	.	H	α-helix	trans	-63.8	-40.3	175	-73.7	160.3	177.1	0	0	110.9	I743 T744 M749 Q750 I751	I743-E747 WeakPolarHBondContact CA-OE2 3.2Å; I743-E747 HydrophobicContact CB-CB 4.24Å; I743-E747 WeakPolarHBondContact CB-OE2 3.37Å; T744-E747 PolarHBondContact N-OE2 3.49Å; T744-E747 PolarHBondContact O-N 2.86Å; T744-E747 VanDerWaalsContact O-N 3.11Å; T744-E747 VanDerWaalsContact OG1-CD 3.29Å; T744-E747 VanDerWaalsContact OG1-CG 3.3Å; T744-E747 WeakPolarHBondContact OG1-CG 3.48Å; T744-E747 PolarHBondContact OG1-N 2.84Å; T744-E747 PolarHBondContact OG1-OE2 3.12Å; E747-M749 VanDerWaalsContact C-N 3.31Å; E747-M749 PolarHBondContact O-N 3.14Å; E747-Q750 WeakPolarHBondContact O-CA 3.21Å; E747-Q750 WeakPolarHBondContact O-CB 3.34Å; E747-Q750 PolarHBondContact O-N 3.4Å; E747-I751 WeakPolarHBondContact O-CG1 3.48Å; E747-I751 PolarHBondContact O-N 2.9Å
748	L	88.6	Confident	83.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-38.6	174.4	-177.9	61.5	0	0	0	112.4	V592 I743 T744 I745 R746 Q750 I751 T752 F758 V782 Y788	V592-L748 HydrophobicContact CB-CD2 4.38Å; V592-L748 HydrophobicContact CG1-CD2 3.79Å; V592-L748 HydrophobicContact CG2-CD2 3.54Å; I743-L748 HydrophobicContact CD1-CB 3.84Å; I743-L748 HydrophobicContact CD1-CD1 4.16Å; T744-L748 PolarHBondContact O-N 3.48Å; I745-L748 PolarHBondContact O-N 3.14Å; R746-L748 VanDerWaalsContact C-N 3.32Å; L748-Q750 VanDerWaalsContact C-N 3.3Å; L748-Q750 PolarHBondContact O-N 3.18Å; L748-I751 PolarHBondContact O-N 3.47Å; L748-T752 PolarHBondContact O-N 3.23Å; L748-T752 PolarHBondContact O-OG1 3.03Å; L748-F758 HydrophobicContact CD1-CE2 4.38Å; L748-F758 HydrophobicContact CD1-CZ 4.45Å; L748-F758 HydrophobicContact CD2-CD1 4.14Å; L748-F758 HydrophobicContact CD2-CD2 3.96Å; L748-F758 HydrophobicContact CD2-CE1 3.97Å; L748-F758 HydrophobicContact CD2-CE2 3.78Å; L748-F758 HydrophobicContact CD2-CG 4.14Å; L748-F758 HydrophobicContact CD2-CZ 3.78Å; L748-F758 HydrophobicContact CG-CD2 3.95Å; L748-F758 HydrophobicContact CG-CE2 3.57Å; L748-F758 HydrophobicContact CG-CZ 3.92Å; L748-V782 HydrophobicContact CD1-CG2 4.19Å; L748-V782 HydrophobicContact CD2-CG2 4.36Å; L748-Y788 HydrophobicContact CD1-CD1 4.08Å; L748-Y788 HydrophobicContact CD1-CD2 4.04Å; L748-Y788 HydrophobicContact CD1-CG 3.75Å
749	M	91.9	Very high	85	Confident	28 Å²	28	54.9 Å²	54.9	14%	0.138	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-38.5	171.7	-73.4	-179.9	71.8	0	0	111.5	I745 R746 E747 T752 Q753 H754 F758 P759	I745-M749 HydrophobicContact CG2-CG 4.49Å; I745-M749 VanDerWaalsContact O-CG 3.31Å; I745-M749 WeakPolarHBondContact O-CG 3.37Å; I745-M749 PolarHBondContact O-N 3.33Å; R746-M749 WeakPolarHBondContact O-CB 3.35Å; R746-M749 PolarHBondContact O-N 3.28Å; E747-M749 VanDerWaalsContact C-N 3.31Å; E747-M749 PolarHBondContact O-N 3.14Å; M749-T752 WeakPolarHBondContact CA-OG1 3.44Å; M749-T752 CarbonylContact O-C 3.59Å; M749-T752 PolarHBondContact O-N 3.29Å; M749-T752 PolarHBondContact O-OG1 2.83Å; M749-T752 VanDerWaalsContact O-OG1 3.11Å; M749-Q753 PolarHBondContact O-N 3.01Å; M749-Q753 VanDerWaalsContact O-N 3.15Å; M749-H754 WeakPolarHBondContact O-CA 3.44Å; M749-H754 PolarHBondContact O-N 3.26Å; M749-F758 HydrophobicContact CG-CB 4.42Å; M749-F758 HydrophobicContact CG-CD2 3.86Å; M749-P759 WeakPolarHBondContact SD-CD 3.4Å; M749-P759 HydrophobicContact SD-CG 3.65Å
750	Q	91.7	Very high	85.8	Confident	116 Å²	116	56.7 Å²	56.7	54%	0.542	27%	0.269	S	S	.	.	H	α-helix	trans	-65.5	-43.4	175.5	-69.1	171	-19.1	0	0	111.8	R746 E747 L748 T752 Q753	R746-Q750 WeakPolarHBondContact O-CG 3.44Å; R746-Q750 PolarHBondContact O-N 2.82Å; E747-Q750 WeakPolarHBondContact O-CA 3.21Å; E747-Q750 WeakPolarHBondContact O-CB 3.34Å; E747-Q750 PolarHBondContact O-N 3.4Å; L748-Q750 VanDerWaalsContact C-N 3.3Å; L748-Q750 PolarHBondContact O-N 3.18Å; Q750-T752 VanDerWaalsContact C-N 3.29Å; Q750-T752 PolarHBondContact O-N 3.13Å; Q750-Q753 WeakPolarHBondContact O-CA 3.31Å; Q750-Q753 PolarHBondContact O-N 3.34Å
751	I	89.5	Confident	86.1	Confident	42 Å²	42	56 Å²	56	22%	0.215	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-41.3	176.4	-68.8	162.9	0	0	0	110.8	I743 E747 L748 Q753 I785 D789	I743-I751 HydrophobicContact CD1-CD1 3.66Å; E747-I751 WeakPolarHBondContact O-CG1 3.48Å; E747-I751 PolarHBondContact O-N 2.9Å; L748-I751 PolarHBondContact O-N 3.47Å; I751-Q753 PolarHBondContact O-N 3.23Å; I751-I785 HydrophobicContact CD1-CG2 4.04Å; I751-I785 HydrophobicContact CG2-CG2 4.1Å; I751-D789 HydrophobicContact CG2-CB 3.92Å
752	T	88.3	Confident	86.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	9.1	175.5	56.9	0	0	0	0	113.7	L748 M749 Q750 H754 T755 I756 F758 Y788	L748-T752 PolarHBondContact O-N 3.23Å; L748-T752 PolarHBondContact O-OG1 3.03Å; M749-T752 WeakPolarHBondContact CA-OG1 3.44Å; M749-T752 CarbonylContact O-C 3.59Å; M749-T752 PolarHBondContact O-N 3.29Å; M749-T752 PolarHBondContact O-OG1 2.83Å; M749-T752 VanDerWaalsContact O-OG1 3.11Å; Q750-T752 VanDerWaalsContact C-N 3.29Å; Q750-T752 PolarHBondContact O-N 3.13Å; T752-H754 PolarHBondContact O-N 3.22Å; T752-T755 WeakPolarHBondContact O-CB 3.07Å; T752-T755 WeakPolarHBondContact O-CG2 3.3Å; T752-T755 PolarHBondContact O-N 2.75Å; T752-T755 VanDerWaalsContact O-N 3.16Å; T752-T755 PolarHBondContact O-OG1 2.79Å; T752-I756 HydrophobicContact CG2-CD1 4.24Å; T752-F758 HydrophobicContact CG2-CE2 3.69Å; T752-F758 HydrophobicContact CG2-CZ 3.94Å; T752-Y788 HydrophobicContact CG2-CD1 4.17Å; T752-Y788 HydrophobicContact CG2-CG 4.48Å
753	Q	88.3	Confident	85.8	Confident	78 Å²	78	47.2 Å²	47.2	36%	0.364	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	35.1	-178.8	-51.8	176.6	9.8	0	0	113.6	M749 Q750 I751 T755 Q796	M749-Q753 PolarHBondContact O-N 3.01Å; M749-Q753 VanDerWaalsContact O-N 3.15Å; Q750-Q753 WeakPolarHBondContact O-CA 3.31Å; Q750-Q753 PolarHBondContact O-N 3.34Å; I751-Q753 PolarHBondContact O-N 3.23Å; Q753-T755 HydrophobicContact CB-CG2 4.34Å; Q753-T755 PolarHBondContact O-N 3.16Å; Q753-Q796 VanDerWaalsContact OE1-OE1 3.13Å
754	H	85.8	Confident	85.2	Confident	119 Å²	119	50.3 Å²	50.3	55%	0.551	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	12.7	-178.4	-58.6	-82.7	0	0	0	115.5	M749 T752 I756	M749-H754 WeakPolarHBondContact O-CA 3.44Å; M749-H754 PolarHBondContact O-N 3.26Å; T752-H754 PolarHBondContact O-N 3.22Å; H754-I756 VanDerWaalsContact C-N 3.27Å; H754-I756 PolarHBondContact O-N 3.35Å
755	T	84	Confident	84.2	Confident	50 Å²	50	49.9 Å²	49.9	31%	0.307	23%	0.227	S	C	.	.			trans	-66.2	-33.7	179.9	58.1	0	0	0	0	111.8	T752 Q753 G792 Q796	T752-T755 WeakPolarHBondContact O-CB 3.07Å; T752-T755 WeakPolarHBondContact O-CG2 3.3Å; T752-T755 PolarHBondContact O-N 2.75Å; T752-T755 VanDerWaalsContact O-N 3.16Å; T752-T755 PolarHBondContact O-OG1 2.79Å; Q753-T755 HydrophobicContact CB-CG2 4.34Å; Q753-T755 PolarHBondContact O-N 3.16Å; T755-G792 WeakPolarHBondContact OG1-CA 3.2Å; T755-Q796 HydrophobicContact CG2-CG 3.25Å
756	I	83.1	Confident	83.5	Confident	22 Å²	22	50.7 Å²	50.7	11%	0.113	23%	0.232	C	C	.	.	S	Bend	trans	-107.7	119.9	177.1	-54.9	172	0	0	0	108.6	V588 T752 H754 F758 L791 L795	V588-I756 HydrophobicContact CG1-CD1 4.24Å; T752-I756 HydrophobicContact CG2-CD1 4.24Å; H754-I756 VanDerWaalsContact C-N 3.27Å; H754-I756 PolarHBondContact O-N 3.35Å; I756-F758 VanDerWaalsContact C-N 3.32Å; I756-F758 HydrophobicContact CB-CD2 4.15Å; I756-F758 HydrophobicContact CB-CE1 4.41Å; I756-F758 HydrophobicContact CB-CE2 3.76Å; I756-F758 HydrophobicContact CB-CZ 3.91Å; I756-F758 HydrophobicContact CD1-CE1 4.43Å; I756-F758 HydrophobicContact CD1-CE2 4.37Å; I756-F758 HydrophobicContact CD1-CZ 3.82Å; I756-F758 HydrophobicContact CG1-CZ 4.48Å; I756-F758 HydrophobicContact CG2-CD1 3.85Å; I756-F758 HydrophobicContact CG2-CD2 4.01Å; I756-F758 HydrophobicContact CG2-CE1 3.72Å; I756-F758 HydrophobicContact CG2-CE2 3.87Å; I756-F758 HydrophobicContact CG2-CG 3.99Å; I756-F758 HydrophobicContact CG2-CZ 3.73Å; I756-F758 PolarHBondContact O-N 3.11Å; I756-F758 VanDerWaalsContact O-N 3.08Å; I756-L791 HydrophobicContact CD1-CD2 3.63Å; I756-L791 HydrophobicContact CD1-CG 4.24Å; I756-L795 HydrophobicContact CD1-CD1 3.61Å; I756-L795 HydrophobicContact CG1-CD1 3.54Å
757	N	84.7	Confident	82.3	Confident	78 Å²	78	46 Å²	46	42%	0.417	22%	0.216	S	C	.	.			trans	-83.1	78.9	170	-171.5	-28.6	0	0	0	109.9	P759 R760 Y761	N757-P759 WeakPolarHBondContact OD1-CD 3.29Å; N757-R760 HydrophobicContact CB-CB 4.21Å; N757-R760 PolarHBondContact O-N 2.79Å; N757-R760 VanDerWaalsContact OD1-CB 3.28Å; N757-R760 WeakPolarHBondContact OD1-CB 3.39Å; N757-R760 PolarHBondContact OD1-N 2.96Å; N757-Y761 VanDerWaalsContact O-CB 3.25Å; N757-Y761 WeakPolarHBondContact O-CB 3.47Å; N757-Y761 PolarHBondContact O-N 3.26Å
758	F	85.3	Confident	80.7	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.009	22%	0.218	C	C	.	.	H	α-helix	trans	-55.3	-43.1	178.9	-70.2	-75.1	0	0	0	114.1	V588 V592 I745 L748 M749 T752 I756 R760 Y761 L762 Y788	V588-F758 HydrophobicContact CG1-CE1 4.49Å; V592-F758 HydrophobicContact CG2-CE1 3.99Å; I745-F758 HydrophobicContact CG2-CB 3.65Å; L748-F758 HydrophobicContact CD1-CE2 4.38Å; L748-F758 HydrophobicContact CD1-CZ 4.45Å; L748-F758 HydrophobicContact CD2-CD1 4.14Å; L748-F758 HydrophobicContact CD2-CD2 3.96Å; L748-F758 HydrophobicContact CD2-CE1 3.97Å; L748-F758 HydrophobicContact CD2-CE2 3.78Å; L748-F758 HydrophobicContact CD2-CG 4.14Å; L748-F758 HydrophobicContact CD2-CZ 3.78Å; L748-F758 HydrophobicContact CG-CD2 3.95Å; L748-F758 HydrophobicContact CG-CE2 3.57Å; L748-F758 HydrophobicContact CG-CZ 3.92Å; M749-F758 HydrophobicContact CG-CB 4.42Å; M749-F758 HydrophobicContact CG-CD2 3.86Å; T752-F758 HydrophobicContact CG2-CE2 3.69Å; T752-F758 HydrophobicContact CG2-CZ 3.94Å; I756-F758 VanDerWaalsContact C-N 3.32Å; I756-F758 HydrophobicContact CB-CD2 4.15Å; I756-F758 HydrophobicContact CB-CE1 4.41Å; I756-F758 HydrophobicContact CB-CE2 3.76Å; I756-F758 HydrophobicContact CB-CZ 3.91Å; I756-F758 HydrophobicContact CD1-CE1 4.43Å; I756-F758 HydrophobicContact CD1-CE2 4.37Å; I756-F758 HydrophobicContact CD1-CZ 3.82Å; I756-F758 HydrophobicContact CG1-CZ 4.48Å; I756-F758 HydrophobicContact CG2-CD1 3.85Å; I756-F758 HydrophobicContact CG2-CD2 4.01Å; I756-F758 HydrophobicContact CG2-CE1 3.72Å; I756-F758 HydrophobicContact CG2-CE2 3.87Å; I756-F758 HydrophobicContact CG2-CG 3.99Å; I756-F758 HydrophobicContact CG2-CZ 3.73Å; I756-F758 PolarHBondContact O-N 3.11Å; I756-F758 VanDerWaalsContact O-N 3.08Å; F758-R760 VanDerWaalsContact C-N 3.31Å; F758-R760 PolarHBondContact O-N 3.42Å; F758-Y761 PolarHBondContact O-N 2.86Å; F758-L762 HydrophobicContact CB-CD1 4.21Å; F758-L762 VanDerWaalsContact O-CB 3.28Å; F758-L762 WeakPolarHBondContact O-CB 3.09Å; F758-L762 WeakPolarHBondContact O-CG 3.33Å; F758-L762 PolarHBondContact O-N 3.35Å; F758-Y788 HydrophobicContact CE1-CE1 4.36Å; F758-Y788 AromaticContact CZ-CD1 3.99Å; F758-Y788 HydrophobicContact CZ-CD1 3.99Å; F758-Y788 HydrophobicContact CZ-CE1 4.13Å
759	P	84.9	Confident	79.3	Confident	10 Å²	10	49.8 Å²	49.8	7%	0.065	23%	0.23	C	C	.	.	H	α-helix	trans	-53.5	-46.3	175.6	-32.3	39	0	0	0	113.6	I745 M749 N757 G763 I773 M774	I745-P759 HydrophobicContact CG2-CG 3.78Å; M749-P759 WeakPolarHBondContact SD-CD 3.4Å; M749-P759 HydrophobicContact SD-CG 3.65Å; N757-P759 WeakPolarHBondContact OD1-CD 3.29Å; P759-G763 WeakPolarHBondContact O-CA 3.39Å; P759-G763 PolarHBondContact O-N 2.92Å; P759-I773 HydrophobicContact CB-CG2 3.63Å; P759-M774 WeakPolarHBondContact CB-O 3.42Å; P759-M774 PolarHBondContact O-N 3.18Å
760	R	80.8	Confident	77.6	Confident	179 Å²	179	50.3 Å²	50.3	68%	0.675	23%	0.232	S	C	*	.	H	α-helix	trans	-72.7	-42.7	178.2	-175.3	178.7	-178.8	179	0.4	111.5	N757 F758 K764	N757-R760 HydrophobicContact CB-CB 4.21Å; N757-R760 PolarHBondContact O-N 2.79Å; N757-R760 VanDerWaalsContact OD1-CB 3.28Å; N757-R760 WeakPolarHBondContact OD1-CB 3.39Å; N757-R760 PolarHBondContact OD1-N 2.96Å; F758-R760 VanDerWaalsContact C-N 3.31Å; F758-R760 PolarHBondContact O-N 3.42Å; R760-K764 VanDerWaalsContact O-CB 3.29Å; R760-K764 WeakPolarHBondContact O-CB 3.31Å; R760-K764 PolarHBondContact O-N 2.76Å
761	Y	77.3	Confident	76	Confident	31 Å²	31	50.5 Å²	50.5	12%	0.122	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-60	-179.5	178.6	-110.6	0	0	0	111.1	I580 L589 N757 F758 G763 K764 L765	I580-Y761 HydrophobicContact CB-CE2 4.01Å; I580-Y761 HydrophobicContact CD1-CD2 4.04Å; I580-Y761 HydrophobicContact CD1-CE2 4.01Å; I580-Y761 HydrophobicContact CG2-CE2 3.62Å; L589-Y761 HydrophobicContact CD1-CE1 3.77Å; L589-Y761 WeakPolarHBondContact CD1-OH 3.28Å; L589-Y761 HydrophobicContact CG-CE1 4.23Å; N757-Y761 VanDerWaalsContact O-CB 3.25Å; N757-Y761 WeakPolarHBondContact O-CB 3.47Å; N757-Y761 PolarHBondContact O-N 3.26Å; F758-Y761 PolarHBondContact O-N 2.86Å; Y761-G763 VanDerWaalsContact C-N 3.28Å; Y761-G763 PolarHBondContact O-N 3.06Å; Y761-K764 WeakPolarHBondContact O-CB 3.15Å; Y761-K764 PolarHBondContact O-N 3.22Å; Y761-K764 VanDerWaalsContact O-N 3.14Å; Y761-L765 HydrophobicContact CD1-CD1 3.9Å; Y761-L765 HydrophobicContact CE1-CD1 3.47Å; Y761-L765 VanDerWaalsContact CE1-CD1 3.47Å; Y761-L765 HydrophobicContact CE2-CD1 4.2Å; Y761-L765 HydrophobicContact CE2-CG 4.49Å; Y761-L765 HydrophobicContact CG-CD1 4.43Å; Y761-L765 VanDerWaalsContact O-CG 3.31Å; Y761-L765 WeakPolarHBondContact O-CG 3.46Å; Y761-L765 PolarHBondContact O-N 3.15Å
762	L	77.1	Confident	74.9	Confident	7 Å²	7	52.5 Å²	52.5	4%	0.037	25%	0.25	C	S	.	.	H	α-helix	trans	-62.1	-38.2	178.8	-62.8	168.2	0	0	0	111.4	L589 L594 I745 F758 L765 T766 M774	L589-L762 HydrophobicContact CD2-CD2 4.36Å; L594-L762 HydrophobicContact CD2-CD1 4.19Å; I745-L762 HydrophobicContact CD1-CD1 3.85Å; F758-L762 HydrophobicContact CB-CD1 4.21Å; F758-L762 VanDerWaalsContact O-CB 3.28Å; F758-L762 WeakPolarHBondContact O-CB 3.09Å; F758-L762 WeakPolarHBondContact O-CG 3.33Å; F758-L762 PolarHBondContact O-N 3.35Å; L762-L765 HydrophobicContact CD2-CD1 4.43Å; L762-L765 PolarHBondContact O-N 2.94Å; L762-T766 WeakPolarHBondContact O-CB 3.47Å; L762-T766 VanDerWaalsContact O-CG2 3.25Å; L762-T766 WeakPolarHBondContact O-CG2 3.41Å; L762-T766 PolarHBondContact O-N 3.48Å; L762-T766 VanDerWaalsContact O-N 3.09Å; L762-T766 PolarHBondContact O-OG1 3.42Å; L762-M774 HydrophobicContact CB-CE 4Å; L762-M774 HydrophobicContact CB-CG 4.05Å; L762-M774 HydrophobicContact CB-SD 3.33Å; L762-M774 WeakPolarHBondContact CB-SD 3.3Å; L762-M774 HydrophobicContact CD1-SD 3.81Å; L762-M774 HydrophobicContact CG-SD 4.18Å
763	G	76.4	Confident	74.2	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-44.3	173.4	0	0	0	0	0	113.7	P759 Y761 S767 T772	P759-G763 WeakPolarHBondContact O-CA 3.39Å; P759-G763 PolarHBondContact O-N 2.92Å; Y761-G763 VanDerWaalsContact C-N 3.28Å; Y761-G763 PolarHBondContact O-N 3.06Å; G763-S767 VanDerWaalsContact O-CB 3.23Å; G763-S767 WeakPolarHBondContact O-CB 3.07Å; G763-S767 PolarHBondContact O-N 3.03Å; G763-S767 VanDerWaalsContact O-N 3.12Å; G763-S767 PolarHBondContact O-OG 3.06Å; G763-T772 CarbonylContact C-O 3.35Å; G763-T772 WeakPolarHBondContact CA-O 3.46Å
764	K	72.3	Confident	73.8	Confident	82 Å²	82	55.4 Å²	55.4	36%	0.357	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-40.5	175.3	-173.1	81.9	-165.5	176.5	0	111.4	N579 R760 Y761 T766 H770	N579-K764 WeakPolarHBondContact OD1-CE 3.39Å; R760-K764 VanDerWaalsContact O-CB 3.29Å; R760-K764 WeakPolarHBondContact O-CB 3.31Å; R760-K764 PolarHBondContact O-N 2.76Å; Y761-K764 WeakPolarHBondContact O-CB 3.15Å; Y761-K764 PolarHBondContact O-N 3.22Å; Y761-K764 VanDerWaalsContact O-N 3.14Å; K764-T766 VanDerWaalsContact C-N 3.34Å; K764-T766 PolarHBondContact O-N 3.11Å; K764-H770 HydrophobicContact CD-CB 3.74Å; K764-H770 VanDerWaalsContact CE-CB 3.48Å; K764-H770 VanDerWaalsContact NZ-CB 3.28Å; K764-H770 PolarHBondContact O-ND1 2.64Å
765	L	70.4	Confident	73.6	Confident	11 Å²	11	53.3 Å²	53.3	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-65.2	-37.5	-178.9	-69.9	176.8	0	0	0	113.1	I580 A581 L589 Y761 L762 S953	I580-L765 VanDerWaalsContact O-CD2 3.26Å; I580-L765 WeakPolarHBondContact O-CD2 3.41Å; A581-L765 VanDerWaalsContact CA-CD2 3.41Å; A581-L765 WeakPolarHBondContact O-CD2 3.49Å; L589-L765 HydrophobicContact CD1-CD1 3.81Å; L589-L765 HydrophobicContact CD2-CD1 4.35Å; Y761-L765 HydrophobicContact CD1-CD1 3.9Å; Y761-L765 HydrophobicContact CE1-CD1 3.47Å; Y761-L765 VanDerWaalsContact CE1-CD1 3.47Å; Y761-L765 HydrophobicContact CE2-CD1 4.2Å; Y761-L765 HydrophobicContact CE2-CG 4.49Å; Y761-L765 HydrophobicContact CG-CD1 4.43Å; Y761-L765 VanDerWaalsContact O-CG 3.31Å; Y761-L765 WeakPolarHBondContact O-CG 3.46Å; Y761-L765 PolarHBondContact O-N 3.15Å; L762-L765 HydrophobicContact CD2-CD1 4.43Å; L762-L765 PolarHBondContact O-N 2.94Å; L765-S953 WeakPolarHBondContact O-CB 3.5Å; L765-S953 PolarHBondContact O-OG 3.32Å
766	T	70.6	Confident	73.7	Confident	17 Å²	17	53 Å²	53	10%	0.104	26%	0.264	C	S	.	.	H	α-helix	trans	-107.1	-16.9	-162.7	56.8	0	0	0	0	114.2	L762 K764 M774 S953 I957	L762-T766 WeakPolarHBondContact O-CB 3.47Å; L762-T766 VanDerWaalsContact O-CG2 3.25Å; L762-T766 WeakPolarHBondContact O-CG2 3.41Å; L762-T766 PolarHBondContact O-N 3.48Å; L762-T766 VanDerWaalsContact O-N 3.09Å; L762-T766 PolarHBondContact O-OG1 3.42Å; K764-T766 VanDerWaalsContact C-N 3.34Å; K764-T766 PolarHBondContact O-N 3.11Å; T766-M774 HydrophobicContact CG2-CE 4.15Å; T766-S953 WeakPolarHBondContact CA-O 3.26Å; T766-I957 HydrophobicContact CG2-CD1 3.57Å; T766-I957 HydrophobicContact CG2-CG1 3.47Å; T766-I957 VanDerWaalsContact CG2-CG1 3.47Å; T766-I957 WeakPolarHBondContact OG1-CD1 2.77Å
767	S	66.1	Low	73.8	Confident	9 Å²	9	56.7 Å²	56.7	6%	0.063	28%	0.284	C	S	.	.			trans	-91.3	134.3	-176.3	65.4	0	0	0	0	112.6	G763 N769 H770 L771 T772	G763-S767 VanDerWaalsContact O-CB 3.23Å; G763-S767 WeakPolarHBondContact O-CB 3.07Å; G763-S767 PolarHBondContact O-N 3.03Å; G763-S767 VanDerWaalsContact O-N 3.12Å; G763-S767 PolarHBondContact O-OG 3.06Å; S767-N769 PolarHBondContact O-N 2.98Å; S767-H770 PolarHBondContact O-N 2.99Å; S767-H770 VanDerWaalsContact OG-C 3.29Å; S767-H770 WeakPolarHBondContact OG-CA 3.5Å; S767-H770 PolarHBondContact OG-N 3.24Å; S767-L771 PolarHBondContact OG-N 3.44Å; S767-T772 WeakPolarHBondContact CB-OG1 3.33Å; S767-T772 PolarHBondContact OG-OG1 2.7Å
768	R	58.8	Low	73.8	Confident	117 Å²	117	54.8 Å²	54.8	44%	0.442	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-35.1	176.2	-158.4	175.7	-171.3	146.4	0.2	112.5	N555 E556	N555-R768 PolarHBondContact ND2-O 3.36Å; E556-R768 IonicContact OE1-NH2 3.94Å
769	N	57.4	Low	73.6	Confident	48 Å²	48	58.8 Å²	58.8	26%	0.257	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-2.1	179.1	-65.7	4.4	0	0	0	112.9	N555 S767 L771	N555-N769 WeakPolarHBondContact ND2-CA 3.26Å; S767-N769 PolarHBondContact O-N 2.98Å; N769-L771 HydrophobicContact CB-CB 4.31Å; N769-L771 HydrophobicContact CB-CD1 4.31Å; N769-L771 VanDerWaalsContact O-CG 3.22Å; N769-L771 WeakPolarHBondContact O-CG 3.34Å; N769-L771 PolarHBondContact O-N 3.37Å
770	H	57.8	Low	73.3	Confident	38 Å²	38	58.3 Å²	58.3	18%	0.176	29%	0.288	C	S	.	.	S	Bend	trans	54.9	20.2	-175.3	-62.8	-59.2	0	0	0	115.1	K764 S767	K764-H770 HydrophobicContact CD-CB 3.74Å; K764-H770 VanDerWaalsContact CE-CB 3.48Å; K764-H770 VanDerWaalsContact NZ-CB 3.28Å; K764-H770 PolarHBondContact O-ND1 2.64Å; S767-H770 PolarHBondContact O-N 2.99Å; S767-H770 VanDerWaalsContact OG-C 3.29Å; S767-H770 WeakPolarHBondContact OG-CA 3.5Å; S767-H770 PolarHBondContact OG-N 3.24Å
771	L	57	Low	73	Confident	120 Å²	120	54.6 Å²	54.6	63%	0.628	28%	0.275	S	S	*	.			trans	-122.7	-8.3	-168.4	-77	166.3	0	0	0	113.5	M551 S767 N769	M551-L771 HydrophobicContact CE-CD1 3.6Å; S767-L771 PolarHBondContact OG-N 3.44Å; N769-L771 HydrophobicContact CB-CB 4.31Å; N769-L771 HydrophobicContact CB-CD1 4.31Å; N769-L771 VanDerWaalsContact O-CG 3.22Å; N769-L771 WeakPolarHBondContact O-CG 3.34Å; N769-L771 PolarHBondContact O-N 3.37Å
772	T	66.9	Low	73	Confident	84 Å²	84	53.1 Å²	53.1	52%	0.515	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-85.8	122.3	177.4	64.9	0	0	0	0	109.4	G763 S767	G763-T772 CarbonylContact C-O 3.35Å; G763-T772 WeakPolarHBondContact CA-O 3.46Å; S767-T772 WeakPolarHBondContact CB-OG1 3.33Å; S767-T772 PolarHBondContact OG-OG1 2.7Å
773	I	74.3	Confident	72.7	Confident	128 Å²	128	54.4 Å²	54.4	66%	0.656	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-79.3	129.9	169.8	-61	167.6	0	0	0	107.2	P759	P759-I773 HydrophobicContact CB-CG2 3.63Å
774	M	78.1	Confident	72.7	Confident	12 Å²	12	54.8 Å²	54.8	6%	0.059	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-65.6	145.5	176.1	-92.4	-159.8	173	0	0	111.7	L594 I745 P759 L762 T766 S776 M778 I957	L594-M774 HydrophobicContact CD1-CE 3.78Å; L594-M774 HydrophobicContact CD2-CE 4.12Å; L594-M774 HydrophobicContact CD2-SD 4.14Å; I745-M774 HydrophobicContact CD1-CB 4.41Å; I745-M774 HydrophobicContact CD1-SD 4.06Å; P759-M774 WeakPolarHBondContact CB-O 3.42Å; P759-M774 PolarHBondContact O-N 3.18Å; L762-M774 HydrophobicContact CB-CE 4Å; L762-M774 HydrophobicContact CB-CG 4.05Å; L762-M774 HydrophobicContact CB-SD 3.33Å; L762-M774 WeakPolarHBondContact CB-SD 3.3Å; L762-M774 HydrophobicContact CD1-SD 3.81Å; L762-M774 HydrophobicContact CG-SD 4.18Å; T766-M774 HydrophobicContact CG2-CE 4.15Å; M774-S776 PolarHBondContact O-N 3.24Å; M774-M778 HydrophobicContact CE-SD 4.3Å; M774-M778 HydrophobicContact SD-SD 3.98Å; M774-I957 HydrophobicContact CE-CD1 3.26Å; M774-I957 HydrophobicContact CE-CG1 3.69Å
775	P	83.1	Confident	73.3	Confident	75 Å²	75	52.1 Å²	52.1	49%	0.487	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-61.6	129.3	174.6	-18.3	30.6	0	0	0	111.3	D777 M778	P775-D777 WeakPolarHBondContact CB-OD1 3.37Å; P775-D777 PolarHBondContact O-N 2.91Å; P775-M778 HydrophobicContact CB-CB 4.47Å; P775-M778 VanDerWaalsContact O-CB 3.24Å; P775-M778 WeakPolarHBondContact O-CB 3.46Å; P775-M778 PolarHBondContact O-N 2.71Å
776	S	85.1	Confident	74	Confident	44 Å²	44	55.1 Å²	55.1	31%	0.308	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.7	-178.4	58.2	0	0	0	0	113.7	I745 R746 M774 M778	I745-S776 PolarHBondContact N-O 2.79Å; R746-S776 WeakPolarHBondContact CB-O 3.47Å; R746-S776 PolarHBondContact N-O 2.49Å; R746-S776 PolarHBondContact NH2-OG 3.26Å; M774-S776 PolarHBondContact O-N 3.24Å; S776-M778 VanDerWaalsContact C-N 3.33Å
777	D	86.4	Confident	74.6	Confident	99 Å²	99	54.5 Å²	54.5	53%	0.529	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.6	174.4	58.8	-42.8	0	0	0	113.4	P775 Q779	P775-D777 WeakPolarHBondContact CB-OD1 3.37Å; P775-D777 PolarHBondContact O-N 2.91Å; D777-Q779 PolarHBondContact O-N 3.5Å
778	M	83.7	Confident	75.5	Confident	38 Å²	38	54.1 Å²	54.1	19%	0.187	28%	0.277	C	S	.	.			trans	-57	128.5	176.1	-174.8	176.1	-176.3	0	0	109.9	L594 L596 T744 I745 M774 P775 S776	L594-M778 HydrophobicContact CB-CE 4.02Å; L594-M778 HydrophobicContact CD1-CE 4.46Å; L594-M778 HydrophobicContact CD2-CE 3.93Å; L594-M778 HydrophobicContact CD2-SD 4.13Å; L594-M778 HydrophobicContact CG-CE 4.35Å; L596-M778 HydrophobicContact CD1-CE 3.63Å; L596-M778 HydrophobicContact CG-CE 4.21Å; T744-M778 WeakPolarHBondContact CA-O 3.37Å; I745-M778 HydrophobicContact CD1-CB 3.88Å; I745-M778 HydrophobicContact CD1-CG 4.4Å; I745-M778 HydrophobicContact CD1-SD 4.4Å; I745-M778 HydrophobicContact CG1-CB 4.38Å; I745-M778 PolarHBondContact N-O 3.14Å; M774-M778 HydrophobicContact CE-SD 4.3Å; M774-M778 HydrophobicContact SD-SD 3.98Å; P775-M778 HydrophobicContact CB-CB 4.47Å; P775-M778 VanDerWaalsContact O-CB 3.24Å; P775-M778 WeakPolarHBondContact O-CB 3.46Å; P775-M778 PolarHBondContact O-N 2.71Å; S776-M778 VanDerWaalsContact C-N 3.33Å
779	Q	81.7	Confident	76.8	Confident	85 Å²	85	50.5 Å²	50.5	40%	0.397	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	146.6	175	-72.1	177.7	-14.4	0	0	110	N595 I743 T744 D777	N595-Q779 HydrophobicContact CB-CB 3.84Å; N595-Q779 WeakPolarHBondContact CB-O 3.39Å; N595-Q779 PolarHBondContact N-O 2.97Å; N595-Q779 VanDerWaalsContact N-O 3.11Å; N595-Q779 WeakPolarHBondContact ND2-CB 3.25Å; N595-Q779 PolarHBondContact ND2-OE1 3.3Å; I743-Q779 CarbonylContact O-C 3.54Å; I743-Q779 WeakPolarHBondContact O-CA 3.27Å; T744-Q779 HydrophobicContact CG2-CG 4.15Å; D777-Q779 PolarHBondContact O-N 3.5Å
780	V	77.9	Confident	78.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.3	-179.8	-62.1	0	0	0	0	108.8	V592 Q593 L594 K742 I743 I745 V782	V592-V780 HydrophobicContact CG1-CB 4.11Å; V592-V780 HydrophobicContact CG1-CG1 4.35Å; V592-V780 HydrophobicContact CG1-CG2 4.18Å; Q593-V780 CarbonylContact O-C 3.39Å; Q593-V780 VanDerWaalsContact O-C 3.31Å; Q593-V780 WeakPolarHBondContact O-CA 3.4Å; Q593-V780 WeakPolarHBondContact O-CB 3.39Å; L594-V780 HydrophobicContact CD2-CG1 3.72Å; K742-V780 WeakPolarHBondContact CA-O 3.46Å; I743-V780 HydrophobicContact CG1-CG2 4.13Å; I743-V780 PolarHBondContact N-O 2.69Å; I743-V780 WeakPolarHBondContact O-CG2 3.01Å; I743-V780 PolarHBondContact O-N 2.79Å; I745-V780 HydrophobicContact CD1-CG1 4.23Å; I745-V780 HydrophobicContact CG1-CG1 3.68Å; I745-V780 HydrophobicContact CG1-CG2 4.41Å; V780-V782 HydrophobicContact CG2-CG2 4.06Å
781	W	75.3	Confident	79.6	Confident	102 Å²	102	50.1 Å²	50.1	39%	0.386	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	128.6	166.8	-72.4	89.4	0	0	0	108.8	Q593 N595 A740 Q741 K742	Q593-W781 WeakPolarHBondContact CA-O 3.37Å; Q593-W781 HydrophobicContact CB-CB 3.85Å; Q593-W781 WeakPolarHBondContact CB-O 3.5Å; Q593-W781 PolarHBondContact N-O 3.11Å; Q593-W781 PolarHBondContact O-N 3.05Å; Q593-W781 VanDerWaalsContact O-O 3.11Å; N595-W781 PolarHBondContact OD1-NE1 2.65Å; A740-W781 HydrophobicContact CB-CE3 4.15Å; Q741-W781 CarbonylContact O-C 3.43Å; Q741-W781 WeakPolarHBondContact O-CA 3.45Å; K742-W781 HydrophobicContact CB-CD2 4.01Å; K742-W781 HydrophobicContact CB-CE3 4.05Å; K742-W781 HydrophobicContact CB-CH2 4.15Å; K742-W781 HydrophobicContact CB-CZ2 4.1Å; K742-W781 HydrophobicContact CB-CZ3 4.13Å; K742-W781 HydrophobicContact CD-CZ2 3.99Å; K742-W781 HydrophobicContact CG-CD2 4.43Å; K742-W781 HydrophobicContact CG-CZ2 4.41Å
782	V	76.3	Confident	81	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.2	179.1	173.9	0	0	0	0	108.1	N591 A740 Q741 I743 L748 V780 I785 Y788	N591-V782 CarbonylContact O-C 3.57Å; N591-V782 WeakPolarHBondContact O-CA 3.48Å; A740-V782 CarbonylContact C-O 3.58Å; A740-V782 VanDerWaalsContact CA-O 3.22Å; A740-V782 WeakPolarHBondContact CA-O 3.18Å; Q741-V782 PolarHBondContact N-O 3.33Å; Q741-V782 PolarHBondContact O-N 3.21Å; I743-V782 HydrophobicContact CD1-CB 4.3Å; I743-V782 HydrophobicContact CD1-CG2 3.76Å; I743-V782 HydrophobicContact CG1-CB 4.41Å; I743-V782 HydrophobicContact CG1-CG2 3.76Å; L748-V782 HydrophobicContact CD1-CG2 4.19Å; L748-V782 HydrophobicContact CD2-CG2 4.36Å; V780-V782 HydrophobicContact CG2-CG2 4.06Å; V782-I785 HydrophobicContact CB-CG1 4.35Å; V782-I785 HydrophobicContact CG1-CG1 3.87Å; V782-Y788 HydrophobicContact CG1-CD2 3.48Å; V782-Y788 VanDerWaalsContact CG1-CD2 3.48Å; V782-Y788 HydrophobicContact CG1-CE2 3.56Å
783	T	71.7	Confident	82.1	Confident	33 Å²	33	45.2 Å²	45.2	20%	0.202	23%	0.226	C	C	.	.	S	Bend	trans	-71.2	-31.6	-173.9	58.6	0	0	0	0	112.6	N591 Q593 T738	N591-T783 WeakPolarHBondContact CA-OG1 3.08Å; N591-T783 WeakPolarHBondContact CB-OG1 3.13Å; N591-T783 VanDerWaalsContact CG-OG1 3.28Å; N591-T783 PolarHBondContact O-N 3.44Å; N591-T783 PolarHBondContact OD1-OG1 3.33Å; Q593-T783 VanDerWaalsContact CD-CG2 3.48Å; Q593-T783 HydrophobicContact CG-CG2 4.08Å; T738-T783 VanDerWaalsContact O-O 3.1Å
784	N	76.8	Confident	82.6	Confident	8 Å²	8	40 Å²	40	4%	0.043	20%	0.199	C	C	.	.			trans	-143.7	100.3	178.8	-166.6	-30.7	0	0	0	111	S733 N736 T738 D786 Y787 Y788	S733-N784 PolarHBondContact O-ND2 3.26Å; N736-N784 PolarHBondContact O-ND2 3.34Å; T738-N784 WeakPolarHBondContact OG1-CA 3.17Å; T738-N784 PolarHBondContact OG1-OD1 2.93Å; N784-D786 PolarHBondContact OD1-N 3.23Å; N784-Y787 PolarHBondContact OD1-N 2.83Å; N784-Y787 VanDerWaalsContact OD1-N 3.08Å; N784-Y788 WeakPolarHBondContact O-CD2 3.32Å
785	I	83.6	Confident	82.9	Confident	26 Å²	26	40.7 Å²	40.7	13%	0.133	20%	0.203	C	C	.	.	H	α-helix	trans	-66.9	-43.6	-179.6	-71.3	-177.1	0	0	0	111.8	Q741 I751 V782 Y787 Y788 D789	Q741-I785 HydrophobicContact CB-CD1 3.77Å; Q741-I785 HydrophobicContact CB-CG1 4.49Å; Q741-I785 HydrophobicContact CG-CD1 3.83Å; I751-I785 HydrophobicContact CD1-CG2 4.04Å; I751-I785 HydrophobicContact CG2-CG2 4.1Å; V782-I785 HydrophobicContact CB-CG1 4.35Å; V782-I785 HydrophobicContact CG1-CG1 3.87Å; I785-Y787 PolarHBondContact O-N 3.09Å; I785-Y788 PolarHBondContact O-N 3.24Å; I785-D789 PolarHBondContact O-N 3.42Å; I785-D789 VanDerWaalsContact O-N 3.1Å
786	D	85	Confident	83.1	Confident	74 Å²	74	42.1 Å²	42.1	40%	0.396	20%	0.203	S	C	.	.	H	α-helix	trans	-60.7	-33.5	-177.5	-63.8	-12.5	0	0	0	111.5	N784 K790	N784-D786 PolarHBondContact OD1-N 3.23Å; D786-K790 WeakPolarHBondContact O-CB 3.11Å; D786-K790 WeakPolarHBondContact O-CG 3.07Å; D786-K790 PolarHBondContact O-N 2.97Å; D786-K790 VanDerWaalsContact O-N 3.08Å
787	Y	83.6	Confident	83.3	Confident	5 Å²	5	47.2 Å²	47.2	2%	0.02	22%	0.222	C	C	.	.	H	α-helix	trans	-59.8	-45.4	172.6	172.4	-89.3	0	0	0	111.7	T587 V588 N591 L729 N730 N784 I785 K790 L791	T587-Y787 VanDerWaalsContact C-OH 3.3Å; T587-Y787 VanDerWaalsContact CB-OH 3.31Å; T587-Y787 WeakPolarHBondContact CB-OH 3.31Å; T587-Y787 WeakPolarHBondContact O-CE1 3.4Å; T587-Y787 PolarHBondContact O-OH 3.48Å; T587-Y787 PolarHBondContact OG1-OH 2.98Å; V588-Y787 HydrophobicContact CG2-CE1 4.33Å; V588-Y787 WeakPolarHBondContact CG2-OH 3.15Å; N591-Y787 HydrophobicContact CB-CD1 4.3Å; N591-Y787 WeakPolarHBondContact ND2-CD1 3.36Å; L729-Y787 HydrophobicContact CB-CD2 4.45Å; L729-Y787 HydrophobicContact CB-CE2 4.14Å; N730-Y787 WeakPolarHBondContact OD1-CE2 3.32Å; N784-Y787 PolarHBondContact OD1-N 2.83Å; N784-Y787 VanDerWaalsContact OD1-N 3.08Å; I785-Y787 PolarHBondContact O-N 3.09Å; Y787-K790 PolarHBondContact O-N 3.46Å; Y787-L791 HydrophobicContact CE1-CB 4.46Å; Y787-L791 HydrophobicContact CE1-CD2 4.11Å; Y787-L791 WeakPolarHBondContact O-CB 3.07Å; Y787-L791 PolarHBondContact O-N 2.89Å
788	Y	84.7	Confident	83.3	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.5	-40	179.6	-76.8	-74.9	0	0	0	113.4	V588 N591 V592 L748 T752 F758 V782 N784 I785 L791 G792	V588-Y788 HydrophobicContact CG1-CD1 4.44Å; V588-Y788 HydrophobicContact CG1-CE1 3.69Å; V588-Y788 WeakPolarHBondContact O-CE1 3.16Å; V588-Y788 PolarHBondContact O-OH 3.48Å; N591-Y788 WeakPolarHBondContact CA-OH 3.21Å; N591-Y788 HydrophobicContact CB-CD2 4.38Å; N591-Y788 HydrophobicContact CB-CE2 3.27Å; N591-Y788 WeakPolarHBondContact CB-OH 3.04Å; N591-Y788 PolarHBondContact N-OH 3.28Å; N591-Y788 WeakPolarHBondContact O-CE2 3.33Å; V592-Y788 HydrophobicContact CG2-CD1 4.34Å; V592-Y788 HydrophobicContact CG2-CE1 3.37Å; V592-Y788 HydrophobicContact CG2-CE2 3.87Å; V592-Y788 WeakPolarHBondContact CG2-OH 3.28Å; V592-Y788 PolarHBondContact N-OH 3.21Å; L748-Y788 HydrophobicContact CD1-CD1 4.08Å; L748-Y788 HydrophobicContact CD1-CD2 4.04Å; L748-Y788 HydrophobicContact CD1-CG 3.75Å; T752-Y788 HydrophobicContact CG2-CD1 4.17Å; T752-Y788 HydrophobicContact CG2-CG 4.48Å; F758-Y788 HydrophobicContact CE1-CE1 4.36Å; F758-Y788 AromaticContact CZ-CD1 3.99Å; F758-Y788 HydrophobicContact CZ-CD1 3.99Å; F758-Y788 HydrophobicContact CZ-CE1 4.13Å; V782-Y788 HydrophobicContact CG1-CD2 3.48Å; V782-Y788 VanDerWaalsContact CG1-CD2 3.48Å; V782-Y788 HydrophobicContact CG1-CE2 3.56Å; N784-Y788 WeakPolarHBondContact O-CD2 3.32Å; I785-Y788 PolarHBondContact O-N 3.24Å; Y788-L791 HydrophobicContact CD1-CD2 4.14Å; Y788-L791 HydrophobicContact CE1-CD2 4.39Å; Y788-L791 PolarHBondContact O-N 2.75Å; Y788-G792 PolarHBondContact O-N 3.31Å
789	D	87.3	Confident	83.5	Confident	41 Å²	41	43.8 Å²	43.8	22%	0.219	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-48.5	175.4	177.6	37.5	0	0	0	110.6	I751 I785 L791 G792 R793	I751-D789 HydrophobicContact CG2-CB 3.92Å; I785-D789 PolarHBondContact O-N 3.42Å; I785-D789 VanDerWaalsContact O-N 3.1Å; D789-L791 PolarHBondContact O-N 3.31Å; D789-G792 PolarHBondContact O-N 2.8Å; D789-R793 VanDerWaalsContact CG-CZ 3.47Å; D789-R793 PolarHBondContact O-N 2.93Å; D789-R793 IonicContact OD1-CZ 2.82Å; D789-R793 IonicContact OD1-NE 3.68Å; D789-R793 IonicContact OD1-NH1 2.68Å; D789-R793 PolarHBondContact OD1-NH1 3.46Å; D789-R793 IonicContact OD1-NH2 2.59Å; D789-R793 PolarHBondContact OD1-NH2 2.98Å; D789-R793 IonicContact OD2-CZ 2.8Å; D789-R793 IonicContact OD2-NH1 2.79Å; D789-R793 PolarHBondContact OD2-NH1 3.42Å; D789-R793 IonicContact OD2-NH2 3.9Å; D789-R793 PolarHBondContact OD2-NH2 3.48Å
790	K	86.9	Confident	83.7	Confident	78 Å²	78	47.4 Å²	47.4	34%	0.339	22%	0.224	S	C	.	.	H	α-helix	trans	-65.8	-37.8	176.5	-68.2	177.8	-179.1	178.4	0	112.9	L729 D786 Y787 R793 L794	L729-K790 HydrophobicContact CD2-CB 3.54Å; L729-K790 HydrophobicContact CD2-CD 4.24Å; L729-K790 HydrophobicContact CD2-CG 4.48Å; D786-K790 WeakPolarHBondContact O-CB 3.11Å; D786-K790 WeakPolarHBondContact O-CG 3.07Å; D786-K790 PolarHBondContact O-N 2.97Å; D786-K790 VanDerWaalsContact O-N 3.08Å; Y787-K790 PolarHBondContact O-N 3.46Å; K790-R793 PolarHBondContact O-N 3.11Å; K790-L794 WeakPolarHBondContact O-CB 3.37Å; K790-L794 PolarHBondContact O-N 3.15Å
791	L	86.3	Confident	84.2	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-45	175.4	175.9	73.8	0	0	0	111.5	L585 V588 L726 L729 I756 Y787 Y788 D789 R793 L794 L795	L585-L791 HydrophobicContact CD2-CD1 4.35Å; V588-L791 HydrophobicContact CB-CD2 3.93Å; V588-L791 HydrophobicContact CG1-CD2 3.37Å; V588-L791 HydrophobicContact CG2-CD1 3.86Å; V588-L791 HydrophobicContact CG2-CD2 3.32Å; V588-L791 HydrophobicContact CG2-CG 4.22Å; L726-L791 HydrophobicContact CD2-CD1 3.97Å; L729-L791 HydrophobicContact CD1-CB 4.29Å; L729-L791 HydrophobicContact CD1-CD1 4.19Å; I756-L791 HydrophobicContact CD1-CD2 3.63Å; I756-L791 HydrophobicContact CD1-CG 4.24Å; Y787-L791 HydrophobicContact CE1-CB 4.46Å; Y787-L791 HydrophobicContact CE1-CD2 4.11Å; Y787-L791 WeakPolarHBondContact O-CB 3.07Å; Y787-L791 PolarHBondContact O-N 2.89Å; Y788-L791 HydrophobicContact CD1-CD2 4.14Å; Y788-L791 HydrophobicContact CE1-CD2 4.39Å; Y788-L791 PolarHBondContact O-N 2.75Å; D789-L791 PolarHBondContact O-N 3.31Å; L791-R793 VanDerWaalsContact C-N 3.32Å; L791-R793 PolarHBondContact O-N 2.79Å; L791-L794 WeakPolarHBondContact O-CB 3.44Å; L791-L794 PolarHBondContact O-N 2.91Å; L791-L794 VanDerWaalsContact O-N 3.14Å; L791-L795 HydrophobicContact CD1-CD1 4.29Å; L791-L795 HydrophobicContact CD1-CG 4.25Å; L791-L795 HydrophobicContact CG-CD1 4.08Å; L791-L795 HydrophobicContact CG-CG 4.38Å; L791-L795 WeakPolarHBondContact O-CG 3.5Å; L791-L795 PolarHBondContact O-N 2.95Å
792	G	86.9	Confident	84.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.4	-46.9	177.6	0	0	0	0	0	111.5	T755 Y788 D789 L794 L795 Q796	T755-G792 WeakPolarHBondContact OG1-CA 3.2Å; Y788-G792 PolarHBondContact O-N 3.31Å; D789-G792 PolarHBondContact O-N 2.8Å; G792-L794 VanDerWaalsContact C-N 3.34Å; G792-L794 PolarHBondContact O-N 3.29Å; G792-L795 PolarHBondContact O-N 3.33Å; G792-Q796 PolarHBondContact O-N 3.01Å
793	R	88.2	Confident	84.8	Confident	102 Å²	102	50.3 Å²	50.3	39%	0.385	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-41.6	174.6	-64.5	-172	-168.9	102.9	4.7	112.5	D789 K790 L791 L795 Q796 Q797	D789-R793 VanDerWaalsContact CG-CZ 3.47Å; D789-R793 PolarHBondContact O-N 2.93Å; D789-R793 IonicContact OD1-CZ 2.82Å; D789-R793 IonicContact OD1-NE 3.68Å; D789-R793 IonicContact OD1-NH1 2.68Å; D789-R793 PolarHBondContact OD1-NH1 3.46Å; D789-R793 IonicContact OD1-NH2 2.59Å; D789-R793 PolarHBondContact OD1-NH2 2.98Å; D789-R793 IonicContact OD2-CZ 2.8Å; D789-R793 IonicContact OD2-NH1 2.79Å; D789-R793 PolarHBondContact OD2-NH1 3.42Å; D789-R793 IonicContact OD2-NH2 3.9Å; D789-R793 PolarHBondContact OD2-NH2 3.48Å; K790-R793 PolarHBondContact O-N 3.11Å; L791-R793 VanDerWaalsContact C-N 3.32Å; L791-R793 PolarHBondContact O-N 2.79Å; R793-L795 PolarHBondContact O-N 3.4Å; R793-Q796 PolarHBondContact O-N 3.37Å; R793-Q797 WeakPolarHBondContact O-CG 3.41Å; R793-Q797 PolarHBondContact O-N 3.49Å
794	L	84.8	Confident	85.3	Confident	17 Å²	17	53 Å²	53	9%	0.089	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-43.9	179.6	-171.5	143.9	0	0	0	111.6	K725 L726 L729 K790 L791 G792 Q796 Q797 T798	K725-L794 HydrophobicContact CB-CD1 3.57Å; K725-L794 HydrophobicContact CB-CD2 4.13Å; K725-L794 HydrophobicContact CB-CG 4.16Å; K725-L794 HydrophobicContact CD-CD2 4.46Å; K725-L794 HydrophobicContact CD-CG 4.41Å; K725-L794 HydrophobicContact CG-CD1 4.18Å; K725-L794 WeakPolarHBondContact O-CD1 3.47Å; L726-L794 HydrophobicContact CD2-CD2 4.45Å; L729-L794 HydrophobicContact CD1-CB 4Å; L729-L794 HydrophobicContact CD1-CD1 3.34Å; L729-L794 HydrophobicContact CD1-CG 4.15Å; L729-L794 HydrophobicContact CD2-CD1 4.25Å; L729-L794 HydrophobicContact CG-CD1 3.61Å; K790-L794 WeakPolarHBondContact O-CB 3.37Å; K790-L794 PolarHBondContact O-N 3.15Å; L791-L794 WeakPolarHBondContact O-CB 3.44Å; L791-L794 PolarHBondContact O-N 2.91Å; L791-L794 VanDerWaalsContact O-N 3.14Å; G792-L794 VanDerWaalsContact C-N 3.34Å; G792-L794 PolarHBondContact O-N 3.29Å; L794-Q796 VanDerWaalsContact C-N 3.32Å; L794-Q796 PolarHBondContact O-N 3.37Å; L794-Q797 PolarHBondContact O-N 2.91Å; L794-Q797 VanDerWaalsContact O-N 3.11Å; L794-T798 HydrophobicContact CD2-CG2 3.91Å; L794-T798 WeakPolarHBondContact O-CG2 3.37Å; L794-T798 PolarHBondContact O-N 3.22Å; L794-T798 PolarHBondContact O-OG1 2.93Å
795	L	85.2	Confident	85.7	Confident	28 Å²	28	53.7 Å²	53.7	15%	0.147	27%	0.265	C	S	.	.	H	α-helix	trans	-66	-32.4	179.1	-69.1	176	0	0	0	112.7	I756 L791 G792 R793 Q797 T798 L803	I756-L795 HydrophobicContact CD1-CD1 3.61Å; I756-L795 HydrophobicContact CG1-CD1 3.54Å; L791-L795 HydrophobicContact CD1-CD1 4.29Å; L791-L795 HydrophobicContact CD1-CG 4.25Å; L791-L795 HydrophobicContact CG-CD1 4.08Å; L791-L795 HydrophobicContact CG-CG 4.38Å; L791-L795 WeakPolarHBondContact O-CG 3.5Å; L791-L795 PolarHBondContact O-N 2.95Å; G792-L795 PolarHBondContact O-N 3.33Å; R793-L795 PolarHBondContact O-N 3.4Å; L795-Q797 VanDerWaalsContact C-N 3.31Å; L795-T798 WeakPolarHBondContact CA-OG1 3.43Å; L795-T798 PolarHBondContact O-OG1 3.33Å; L795-L803 HydrophobicContact CD2-CD2 3.84Å
796	Q	87.2	Confident	85.5	Confident	105 Å²	105	53.1 Å²	53.1	49%	0.491	26%	0.261	S	S	.	.	H	α-helix	trans	-66.1	-34.7	171.5	-71.3	170.6	-9.3	0	0	112.5	Q753 T755 G792 R793 L794	Q753-Q796 VanDerWaalsContact OE1-OE1 3.13Å; T755-Q796 HydrophobicContact CG2-CG 3.25Å; G792-Q796 PolarHBondContact O-N 3.01Å; R793-Q796 PolarHBondContact O-N 3.37Å; L794-Q796 VanDerWaalsContact C-N 3.32Å; L794-Q796 PolarHBondContact O-N 3.37Å
797	Q	88.7	Confident	85.3	Confident	151 Å²	151	52.2 Å²	52.2	71%	0.706	26%	0.256	S	S	*	.	H	α-helix	trans	-86.1	-12.9	-176.7	-68.5	176.3	-10.6	0	0	113.5	R793 L794 L795	R793-Q797 WeakPolarHBondContact O-CG 3.41Å; R793-Q797 PolarHBondContact O-N 3.49Å; L794-Q797 PolarHBondContact O-N 2.91Å; L794-Q797 VanDerWaalsContact O-N 3.11Å; L795-Q797 VanDerWaalsContact C-N 3.31Å
798	T	86.4	Confident	85.2	Confident	9 Å²	9	52.6 Å²	52.6	6%	0.055	26%	0.259	C	S	.	.	S	Bend	trans	-88.3	134.9	175.1	47.3	0	0	0	0	111.1	V722 K725 L794 L795	V722-T798 HydrophobicContact CG2-CG2 4.39Å; K725-T798 HydrophobicContact CD-CG2 3.69Å; L794-T798 HydrophobicContact CD2-CG2 3.91Å; L794-T798 WeakPolarHBondContact O-CG2 3.37Å; L794-T798 PolarHBondContact O-N 3.22Å; L794-T798 PolarHBondContact O-OG1 2.93Å; L795-T798 WeakPolarHBondContact CA-OG1 3.43Å; L795-T798 PolarHBondContact O-OG1 3.33Å
799	S	89.2	Confident	85.1	Confident	55 Å²	55	52.8 Å²	52.8	39%	0.385	26%	0.26	S	S	.	.			trans	-68.8	152.1	178.2	74.3	0	0	0	0	111.5	S801 E802 L803	S799-S801 PolarHBondContact O-N 3.15Å; S799-E802 WeakPolarHBondContact O-CB 3.43Å; S799-E802 PolarHBondContact O-N 3.17Å; S799-E802 WeakPolarHBondContact OG-CB 3.26Å; S799-E802 VanDerWaalsContact OG-CG 3.27Å; S799-E802 WeakPolarHBondContact OG-CG 3.41Å; S799-E802 PolarHBondContact OG-N 2.87Å; S799-L803 PolarHBondContact O-N 3.31Å; S799-L803 VanDerWaalsContact O-N 3.09Å
800	F	86.1	Confident	84.6	Confident	161 Å²	161	51.3 Å²	51.3	71%	0.706	25%	0.253	S	S	*	.	H	α-helix	trans	-58	-37.3	177.2	179.5	-97.9	0	0	0	112.5	L803 Q804	F800-L803 PolarHBondContact O-N 3.24Å; F800-Q804 WeakPolarHBondContact O-CB 3.38Å; F800-Q804 PolarHBondContact O-N 3.12Å
801	S	87.3	Confident	84.3	Confident	74 Å²	74	47.8 Å²	47.8	52%	0.517	24%	0.238	S	C	.	.	H	α-helix	trans	-64.1	-43.7	177.2	-168.3	0	0	0	0	112	S799 L803 Q804 D805	S799-S801 PolarHBondContact O-N 3.15Å; S801-L803 VanDerWaalsContact C-N 3.32Å; S801-L803 PolarHBondContact O-N 3Å; S801-Q804 PolarHBondContact O-N 2.9Å; S801-D805 PolarHBondContact O-N 2.74Å
802	E	83	Confident	84.2	Confident	50 Å²	50	47.8 Å²	47.8	23%	0.234	24%	0.238	C	C	.	.	H	α-helix	trans	-60	-43.6	175.7	-79.5	171.1	-160.3	0	0	111.7	V722 K725 S799 D805 Y806	V722-E802 HydrophobicContact CG2-CB 3.71Å; K725-E802 IonicContact NZ-OE2 3.24Å; S799-E802 WeakPolarHBondContact O-CB 3.43Å; S799-E802 PolarHBondContact O-N 3.17Å; S799-E802 WeakPolarHBondContact OG-CB 3.26Å; S799-E802 VanDerWaalsContact OG-CG 3.27Å; S799-E802 WeakPolarHBondContact OG-CG 3.41Å; S799-E802 PolarHBondContact OG-N 2.87Å; E802-D805 PolarHBondContact O-N 3.27Å; E802-Y806 WeakPolarHBondContact O-CB 3.31Å; E802-Y806 PolarHBondContact O-N 3.19Å
803	L	81.4	Confident	83.9	Confident	39 Å²	39	48.5 Å²	48.5	20%	0.204	24%	0.241	C	C	.	.	H	α-helix	trans	-65.8	-40.2	177.6	-68.4	174.4	0	0	0	112	L795 S799 F800 S801 Y806 I807	L795-L803 HydrophobicContact CD2-CD2 3.84Å; S799-L803 PolarHBondContact O-N 3.31Å; S799-L803 VanDerWaalsContact O-N 3.09Å; F800-L803 PolarHBondContact O-N 3.24Å; S801-L803 VanDerWaalsContact C-N 3.32Å; S801-L803 PolarHBondContact O-N 3Å; L803-Y806 PolarHBondContact O-N 3.21Å; L803-I807 WeakPolarHBondContact O-CB 3.07Å; L803-I807 VanDerWaalsContact O-CG1 3.24Å; L803-I807 WeakPolarHBondContact O-CG1 3.26Å; L803-I807 PolarHBondContact O-N 3.43Å
804	Q	82.8	Confident	83.3	Confident	90 Å²	90	45.1 Å²	45.1	42%	0.421	23%	0.229	S	C	.	.	H	α-helix	trans	-64.8	-43.4	177.2	-175.6	176.2	-12.1	0	0	111.8	F800 S801 Y806 I807 T808	F800-Q804 WeakPolarHBondContact O-CB 3.38Å; F800-Q804 PolarHBondContact O-N 3.12Å; S801-Q804 PolarHBondContact O-N 2.9Å; Q804-Y806 VanDerWaalsContact C-N 3.33Å; Q804-I807 PolarHBondContact O-N 3.3Å; Q804-T808 WeakPolarHBondContact O-CB 3.36Å; Q804-T808 PolarHBondContact O-N 2.97Å; Q804-T808 PolarHBondContact O-OG1 3.14Å
805	D	84.4	Confident	83.2	Confident	23 Å²	23	44.5 Å²	44.5	12%	0.123	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-46.2	174.2	-76.3	-6.2	0	0	0	110.7	F716 G718 V719 S801 E802 T808 F809	F716-D805 HydrophobicContact CD1-CB 4.19Å; G718-D805 PolarHBondContact N-OD2 2.98Å; V719-D805 HydrophobicContact CG2-CB 4.02Å; S801-D805 PolarHBondContact O-N 2.74Å; E802-D805 PolarHBondContact O-N 3.27Å; D805-T808 PolarHBondContact O-N 3.13Å; D805-F809 VanDerWaalsContact O-CB 3.29Å; D805-F809 WeakPolarHBondContact O-CB 3.46Å; D805-F809 PolarHBondContact O-N 3.33Å
806	Y	80.6	Confident	83.1	Confident	14 Å²	14	43.1 Å²	43.1	6%	0.055	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-46.7	179.3	-178.8	-103.8	0	0	0	113	G584 V719 V722 L723 L726 E802 L803 Q804 T808 F809 A810	G584-Y806 WeakPolarHBondContact O-CE1 3.49Å; G584-Y806 PolarHBondContact O-OH 3.21Å; V719-Y806 HydrophobicContact CG1-CD2 4.47Å; V722-Y806 HydrophobicContact CB-CD2 4.01Å; V722-Y806 HydrophobicContact CB-CG 4.1Å; V722-Y806 HydrophobicContact CG1-CD1 3.88Å; V722-Y806 HydrophobicContact CG1-CD2 3.63Å; V722-Y806 HydrophobicContact CG1-CE1 4.35Å; V722-Y806 HydrophobicContact CG1-CE2 4.15Å; V722-Y806 HydrophobicContact CG1-CG 3.48Å; V722-Y806 VanDerWaalsContact CG1-CG 3.48Å; L723-Y806 HydrophobicContact CD1-CE2 4.41Å; L726-Y806 HydrophobicContact CD1-CD1 4.47Å; L726-Y806 HydrophobicContact CD1-CE1 3.65Å; L726-Y806 HydrophobicContact CD1-CE2 4.03Å; L726-Y806 VanDerWaalsContact CD1-OH 3.29Å; L726-Y806 WeakPolarHBondContact CD1-OH 3.41Å; E802-Y806 WeakPolarHBondContact O-CB 3.31Å; E802-Y806 PolarHBondContact O-N 3.19Å; L803-Y806 PolarHBondContact O-N 3.21Å; Q804-Y806 VanDerWaalsContact C-N 3.33Å; Y806-T808 VanDerWaalsContact C-N 3.34Å; Y806-T808 PolarHBondContact O-N 2.79Å; Y806-F809 WeakPolarHBondContact O-CB 2.98Å; Y806-F809 PolarHBondContact O-N 3.43Å; Y806-A810 WeakPolarHBondContact O-CB 3.15Å; Y806-A810 PolarHBondContact O-N 3.29Å
807	I	79.9	Confident	83	Confident	54 Å²	54	39.1 Å²	39.1	28%	0.277	21%	0.206	S	C	.	.	H	α-helix	trans	-63.3	-43.2	177.9	-68	164.5	0	0	0	110.2	L803 Q804 F809 A810 I811	L803-I807 WeakPolarHBondContact O-CB 3.07Å; L803-I807 VanDerWaalsContact O-CG1 3.24Å; L803-I807 WeakPolarHBondContact O-CG1 3.26Å; L803-I807 PolarHBondContact O-N 3.43Å; Q804-I807 PolarHBondContact O-N 3.3Å; I807-F809 PolarHBondContact O-N 3.11Å; I807-A810 PolarHBondContact O-N 3.23Å; I807-I811 HydrophobicContact CG2-CD1 4.17Å; I807-I811 WeakPolarHBondContact O-CG1 3.41Å; I807-I811 PolarHBondContact O-N 3.22Å
808	T	81.1	Confident	82.7	Confident	13 Å²	13	34.4 Å²	34.4	8%	0.08	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-46.7	176.9	-55	0	0	0	0	110.6	L575 F716 Q804 D805 Y806 A810 I811 L812	L575-T808 HydrophobicContact CD2-CG2 3.97Å; F716-T808 HydrophobicContact CE1-CG2 3.64Å; F716-T808 HydrophobicContact CZ-CG2 3.47Å; F716-T808 VanDerWaalsContact CZ-CG2 3.47Å; Q804-T808 WeakPolarHBondContact O-CB 3.36Å; Q804-T808 PolarHBondContact O-N 2.97Å; Q804-T808 PolarHBondContact O-OG1 3.14Å; D805-T808 PolarHBondContact O-N 3.13Å; Y806-T808 VanDerWaalsContact C-N 3.34Å; Y806-T808 PolarHBondContact O-N 2.79Å; T808-A810 VanDerWaalsContact C-N 3.35Å; T808-A810 PolarHBondContact O-N 3.29Å; T808-I811 PolarHBondContact O-N 2.77Å; T808-L812 HydrophobicContact CG2-CD1 3.94Å; T808-L812 WeakPolarHBondContact O-CD1 3.32Å; T808-L812 VanDerWaalsContact O-CG 3.3Å; T808-L812 WeakPolarHBondContact O-CG 3.36Å; T808-L812 PolarHBondContact O-N 2.65Å
809	F	83.4	Confident	82.7	Confident	5 Å²	5	35.3 Å²	35.3	2%	0.022	19%	0.187	C	C	.	.	H	α-helix	trans	-58.3	-43.8	173.9	166.2	-94	0	0	0	112	M615 Y685 I686 L689 V719 D805 Y806 I807 I811 L812 H813	M615-F809 HydrophobicContact CE-CZ 4.49Å; Y685-F809 HydrophobicContact CD1-CE2 4.33Å; Y685-F809 HydrophobicContact CE1-CE2 4.14Å; Y685-F809 HydrophobicContact CE1-CZ 4.48Å; I686-F809 HydrophobicContact CG1-CD2 4.15Å; I686-F809 HydrophobicContact CG1-CE2 3.74Å; L689-F809 HydrophobicContact CD1-CD2 3.61Å; L689-F809 HydrophobicContact CD1-CE2 3.62Å; V719-F809 HydrophobicContact CB-CB 4.47Å; V719-F809 HydrophobicContact CB-CG 4.44Å; V719-F809 HydrophobicContact CG1-CB 4.02Å; V719-F809 HydrophobicContact CG1-CD1 3.6Å; V719-F809 HydrophobicContact CG1-CD2 3.87Å; V719-F809 HydrophobicContact CG1-CE1 4Å; V719-F809 HydrophobicContact CG1-CE2 4.24Å; V719-F809 HydrophobicContact CG1-CG 3.54Å; V719-F809 HydrophobicContact CG1-CZ 4.3Å; V719-F809 HydrophobicContact CG2-CB 3.54Å; V719-F809 HydrophobicContact CG2-CD2 4.43Å; V719-F809 HydrophobicContact CG2-CG 3.99Å; D805-F809 VanDerWaalsContact O-CB 3.29Å; D805-F809 WeakPolarHBondContact O-CB 3.46Å; D805-F809 PolarHBondContact O-N 3.33Å; Y806-F809 WeakPolarHBondContact O-CB 2.98Å; Y806-F809 PolarHBondContact O-N 3.43Å; I807-F809 PolarHBondContact O-N 3.11Å; F809-I811 VanDerWaalsContact C-N 3.34Å; F809-I811 PolarHBondContact O-N 2.94Å; F809-L812 CarbonylContact O-C 2.97Å; F809-L812 PolarHBondContact O-N 3.44Å; F809-H813 HydrophobicContact CE1-CB 4.29Å; F809-H813 HydrophobicContact CE2-CB 4.48Å; F809-H813 HydrophobicContact CZ-CB 4.2Å; F809-H813 VanDerWaalsContact O-CB 3.22Å; F809-H813 WeakPolarHBondContact O-CB 3.22Å; F809-H813 PolarHBondContact O-N 3.06Å
810	A	77.3	Confident	82.7	Confident	10 Å²	10	34.3 Å²	34.3	8%	0.083	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-38.1	-179.6	0	0	0	0	0	112.5	H583 G584 Y806 I807 T808 K814	H583-A810 HydrophobicContact CB-CB 4.09Å; G584-A810 VanDerWaalsContact CA-CB 3.44Å; Y806-A810 WeakPolarHBondContact O-CB 3.15Å; Y806-A810 PolarHBondContact O-N 3.29Å; I807-A810 PolarHBondContact O-N 3.23Å; T808-A810 VanDerWaalsContact C-N 3.35Å; T808-A810 PolarHBondContact O-N 3.29Å; A810-K814 WeakPolarHBondContact O-CB 3.16Å; A810-K814 PolarHBondContact O-N 3.2Å
811	I	79.5	Confident	82.7	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-62.5	-48	172.7	-62.2	163.6	0	0	0	110.7	L575 H583 I807 T808 F809 K814 Y815	L575-I811 HydrophobicContact CD2-CB 3.98Å; L575-I811 HydrophobicContact CD2-CD1 4.26Å; L575-I811 HydrophobicContact CD2-CG2 3.77Å; H583-I811 HydrophobicContact CB-CG1 3.8Å; H583-I811 WeakPolarHBondContact ND1-CA 3.4Å; I807-I811 HydrophobicContact CG2-CD1 4.17Å; I807-I811 WeakPolarHBondContact O-CG1 3.41Å; I807-I811 PolarHBondContact O-N 3.22Å; T808-I811 PolarHBondContact O-N 2.77Å; F809-I811 VanDerWaalsContact C-N 3.34Å; F809-I811 PolarHBondContact O-N 2.94Å; I811-K814 PolarHBondContact O-N 3.4Å; I811-Y815 HydrophobicContact CG2-CD2 4.13Å; I811-Y815 PolarHBondContact O-N 2.68Å
812	L	84.2	Confident	82.7	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-69.4	-37.3	-178.6	-70.1	164.5	0	0	0	113.2	L571 L575 L689 L692 A693 F716 T808 F809 K814 G816	L571-L812 HydrophobicContact CD1-CD2 4.34Å; L571-L812 HydrophobicContact CD2-CD2 4.04Å; L571-L812 HydrophobicContact CG-CD2 4.42Å; L575-L812 HydrophobicContact CD1-CD2 4.28Å; L575-L812 HydrophobicContact CD2-CD2 4.36Å; L575-L812 HydrophobicContact CD2-CG 4.14Å; L689-L812 HydrophobicContact CB-CB 4.32Å; L689-L812 HydrophobicContact CB-CD1 4.34Å; L689-L812 HydrophobicContact CD1-CB 4.13Å; L689-L812 HydrophobicContact CD2-CB 4.08Å; L689-L812 HydrophobicContact CG-CB 4.4Å; L692-L812 HydrophobicContact CD2-CD2 4.24Å; L692-L812 HydrophobicContact CG-CD2 4.36Å; A693-L812 HydrophobicContact CB-CD1 3.55Å; A693-L812 HydrophobicContact CB-CD2 4.38Å; F716-L812 HydrophobicContact CE2-CD1 3.62Å; F716-L812 HydrophobicContact CZ-CD1 3.68Å; T808-L812 HydrophobicContact CG2-CD1 3.94Å; T808-L812 WeakPolarHBondContact O-CD1 3.32Å; T808-L812 VanDerWaalsContact O-CG 3.3Å; T808-L812 WeakPolarHBondContact O-CG 3.36Å; T808-L812 PolarHBondContact O-N 2.65Å; F809-L812 CarbonylContact O-C 2.97Å; F809-L812 PolarHBondContact O-N 3.44Å; L812-K814 VanDerWaalsContact C-N 3.26Å; L812-K814 PolarHBondContact O-N 3.23Å; L812-G816 WeakPolarHBondContact O-CA 3.2Å; L812-G816 PolarHBondContact O-N 2.87Å
813	H	81.6	Confident	82.9	Confident	15 Å²	15	31.6 Å²	31.6	7%	0.069	16%	0.158	C	C	.	.	H	α-helix	trans	-64.7	-35.7	176.7	179.9	58	0	0	0	111.5	Y685 L689 F809 K827	Y685-H813 AromaticContact CE1-ND1 3.37Å; Y685-H813 WeakPolarHBondContact CE1-ND1 3.44Å; Y685-H813 AromaticContact CZ-ND1 3.51Å; Y685-H813 PolarHBondContact OH-ND1 2.77Å; L689-H813 HydrophobicContact CD1-CB 4.33Å; F809-H813 HydrophobicContact CE1-CB 4.29Å; F809-H813 HydrophobicContact CE2-CB 4.48Å; F809-H813 HydrophobicContact CZ-CB 4.2Å; F809-H813 VanDerWaalsContact O-CB 3.22Å; F809-H813 WeakPolarHBondContact O-CB 3.22Å; F809-H813 PolarHBondContact O-N 3.06Å; H813-K827 PolarHBondContact O-NZ 3.23Å
814	K	75.7	Confident	83	Confident	30 Å²	30	30.4 Å²	30.4	13%	0.13	15%	0.154	C	C	.	.	H	α-helix	trans	-74.1	-50.5	176.9	-174.8	170.9	177.4	-177.4	0	112.5	F582 A810 I811 L812 Y818 N949	F582-K814 PolarHBondContact O-NZ 3.34Å; A810-K814 WeakPolarHBondContact O-CB 3.16Å; A810-K814 PolarHBondContact O-N 3.2Å; I811-K814 PolarHBondContact O-N 3.4Å; L812-K814 VanDerWaalsContact C-N 3.26Å; L812-K814 PolarHBondContact O-N 3.23Å; K814-Y818 WeakPolarHBondContact O-CE2 3.46Å; K814-N949 WeakPolarHBondContact CE-ND2 3.38Å
815	Y	81.5	Confident	83.1	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-104.4	-20.4	-170	-66.4	-51.5	0	0	0	115.6	L574 H583 I811 G817 Y818 L942 V946 N949	L574-Y815 HydrophobicContact CD1-CD2 3.89Å; L574-Y815 HydrophobicContact CD1-CE2 4.15Å; L574-Y815 HydrophobicContact CD1-CG 4.43Å; H583-Y815 AromaticContact CE1-CD2 3.76Å; H583-Y815 AromaticContact CE1-CE2 3.25Å; H583-Y815 WeakPolarHBondContact CE1-CE2 3.4Å; H583-Y815 AromaticContact NE2-CE2 3.59Å; I811-Y815 HydrophobicContact CG2-CD2 4.13Å; I811-Y815 PolarHBondContact O-N 2.68Å; Y815-G817 PolarHBondContact O-N 3.27Å; Y815-G817 VanDerWaalsContact O-N 3.15Å; Y815-Y818 HydrophobicContact CD1-CD2 4.3Å; Y815-Y818 HydrophobicContact CD1-CE2 4.37Å; Y815-Y818 WeakPolarHBondContact O-CD2 3.48Å; Y815-Y818 PolarHBondContact O-N 2.92Å; Y815-L942 HydrophobicContact CD1-CD1 3.67Å; Y815-L942 HydrophobicContact CD2-CD1 4.46Å; Y815-L942 HydrophobicContact CE1-CD1 4.48Å; Y815-L942 HydrophobicContact CG-CD1 3.69Å; Y815-V946 HydrophobicContact CE1-CG2 4.12Å; Y815-V946 HydrophobicContact CE2-CG2 4.16Å; Y815-N949 PolarHBondContact OH-ND2 3.19Å
816	G	84.7	Confident	83.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.6	-28.8	-172.1	0	0	0	0	0	114	L812 Y818 V819 D820	L812-G816 WeakPolarHBondContact O-CA 3.2Å; L812-G816 PolarHBondContact O-N 2.87Å; G816-Y818 PolarHBondContact O-N 3.5Å; G816-V819 PolarHBondContact O-N 2.84Å; G816-D820 PolarHBondContact O-N 3.43Å
817	G	84.1	Confident	82.8	Confident	21 Å²	21	32 Å²	32	22%	0.216	16%	0.161	C	C	.	.	H	α-helix	trans	-67.6	-18.7	175.2	0	0	0	0	0	114.7	Y815 A824	Y815-G817 PolarHBondContact O-N 3.27Å; Y815-G817 VanDerWaalsContact O-N 3.15Å; G817-A824 WeakPolarHBondContact O-CB 3.21Å
818	Y	83.1	Confident	82.5	Confident	51 Å²	51	31.3 Å²	31.3	20%	0.2	16%	0.158	C	C	.	.	H	α-helix	trans	-88.7	-17.5	176.5	-54.7	-69.3	0	0	0	113.2	K814 Y815 G816 F848 L849 L941 L945	K814-Y818 WeakPolarHBondContact O-CE2 3.46Å; Y815-Y818 HydrophobicContact CD1-CD2 4.3Å; Y815-Y818 HydrophobicContact CD1-CE2 4.37Å; Y815-Y818 WeakPolarHBondContact O-CD2 3.48Å; Y815-Y818 PolarHBondContact O-N 2.92Å; G816-Y818 PolarHBondContact O-N 3.5Å; Y818-F848 VanDerWaalsContact OH-CE1 3.26Å; Y818-F848 WeakPolarHBondContact OH-CE1 3.44Å; Y818-L849 HydrophobicContact CE1-CD2 4.28Å; Y818-L941 HydrophobicContact CD1-CD2 3.79Å; Y818-L941 HydrophobicContact CD1-CG 4.43Å; Y818-L941 HydrophobicContact CE1-CD2 4.42Å; Y818-L945 HydrophobicContact CD1-CD1 3.97Å; Y818-L945 HydrophobicContact CD2-CD1 3.75Å; Y818-L945 HydrophobicContact CE1-CD1 3.61Å; Y818-L945 HydrophobicContact CE2-CD1 3.4Å; Y818-L945 HydrophobicContact CG-CD1 4.02Å
819	V	86.6	Confident	82.3	Confident	28 Å²	28	36 Å²	36	17%	0.17	18%	0.177	C	C	.	.	H	α-helix	trans	-101.9	-33.6	-177.4	-177.1	0	0	0	0	111	E567 L568 L571 G816 L942	E567-V819 HydrophobicContact CB-CG1 4.02Å; E567-V819 HydrophobicContact CB-CG2 4.4Å; L568-V819 HydrophobicContact CD1-CG1 4.36Å; L571-V819 HydrophobicContact CB-CG2 4.31Å; L571-V819 HydrophobicContact CD2-CB 4.33Å; L571-V819 HydrophobicContact CD2-CG1 4.27Å; L571-V819 HydrophobicContact CD2-CG2 4.23Å; G816-V819 PolarHBondContact O-N 2.84Å; V819-L942 HydrophobicContact CG2-CD2 3.76Å
820	D	87.9	Confident	81.5	Confident	34 Å²	34	36.2 Å²	36.2	18%	0.182	18%	0.178	C	C	.	.			trans	-129.4	118.7	-175.6	171.4	60.9	0	0	0	112.1	H688 L692 G816 K822 T823 A824	H688-D820 IonicContact CE1-OD2 3.89Å; H688-D820 PolarHBondContact CE1-OD2 3.06Å; H688-D820 IonicContact ND1-OD2 2.73Å; L692-D820 HydrophobicContact CD1-CB 3.73Å; L692-D820 HydrophobicContact CD2-CB 4.21Å; G816-D820 PolarHBondContact O-N 3.43Å; D820-K822 VanDerWaalsContact C-N 3.26Å; D820-K822 PolarHBondContact O-N 3.43Å; D820-K822 PolarHBondContact OD2-N 2.93Å; D820-T823 WeakPolarHBondContact O-CB 3.36Å; D820-T823 PolarHBondContact O-N 3.12Å; D820-T823 VanDerWaalsContact OD2-CB 3.27Å; D820-T823 WeakPolarHBondContact OD2-CB 3.4Å; D820-T823 PolarHBondContact OD2-N 3.41Å; D820-T823 PolarHBondContact OD2-OG1 3.48Å; D820-A824 PolarHBondContact O-N 2.83Å
821	Q	86.6	Confident	80.9	Confident	149 Å²	149	37.1 Å²	37.1	70%	0.696	18%	0.181	S	C	*	.	H	α-helix	trans	-61	-35.1	-178.2	-172.4	178.7	10.5	0	0	112.2	A824 Q825	Q821-A824 WeakPolarHBondContact O-CB 3.46Å; Q821-A824 PolarHBondContact O-N 2.89Å; Q821-Q825 VanDerWaalsContact O-CG 3.32Å; Q821-Q825 WeakPolarHBondContact O-CG 3.42Å; Q821-Q825 PolarHBondContact O-N 3.35Å
822	K	88.4	Confident	80.3	Confident	80 Å²	80	41.8 Å²	41.8	35%	0.348	20%	0.201	S	C	.	.	H	α-helix	trans	-68.3	-39.8	179.2	-175.5	168.5	165.1	-154.7	0	111	Y684 H688 D820 A824 Q825 L826	Y684-K822 PolarHBondContact OH-NZ 2.87Å; H688-K822 WeakPolarHBondContact CD2-CE 3.49Å; H688-K822 PolarHBondContact CD2-NZ 3.01Å; H688-K822 WeakPolarHBondContact NE2-CD 3.48Å; H688-K822 VanDerWaalsContact NE2-CE 3.28Å; H688-K822 WeakPolarHBondContact NE2-CE 3.33Å; H688-K822 WeakPolarHBondContact NE2-CG 3.49Å; H688-K822 PolarHBondContact NE2-NZ 3.39Å; D820-K822 VanDerWaalsContact C-N 3.26Å; D820-K822 PolarHBondContact O-N 3.43Å; D820-K822 PolarHBondContact OD2-N 2.93Å; K822-A824 VanDerWaalsContact C-N 3.32Å; K822-A824 PolarHBondContact O-N 3.45Å; K822-Q825 PolarHBondContact O-N 2.96Å; K822-L826 HydrophobicContact CG-CD1 4.38Å; K822-L826 VanDerWaalsContact O-CG 3.29Å; K822-L826 WeakPolarHBondContact O-CG 2.94Å; K822-L826 PolarHBondContact O-N 3.4Å
823	T	86.4	Confident	79.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-41	172.1	-60.4	0	0	0	0	111.2	Y685 H688 L689 D820 L826 K827	Y685-T823 HydrophobicContact CE2-CG2 4.05Å; H688-T823 PolarHBondContact CE1-OG1 3.18Å; H688-T823 PolarHBondContact ND1-OG1 3.02Å; L689-T823 HydrophobicContact CD2-CG2 3.49Å; L689-T823 VanDerWaalsContact CD2-CG2 3.49Å; D820-T823 WeakPolarHBondContact O-CB 3.36Å; D820-T823 PolarHBondContact O-N 3.12Å; D820-T823 VanDerWaalsContact OD2-CB 3.27Å; D820-T823 WeakPolarHBondContact OD2-CB 3.4Å; D820-T823 PolarHBondContact OD2-N 3.41Å; D820-T823 PolarHBondContact OD2-OG1 3.48Å; T823-L826 PolarHBondContact O-N 3.31Å; T823-K827 WeakPolarHBondContact O-CB 3.39Å; T823-K827 PolarHBondContact O-N 3.05Å
824	A	84	Confident	77.8	Confident	14 Å²	14	44.3 Å²	44.3	12%	0.116	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-42.7	173.7	0	0	0	0	0	112.6	G817 D820 Q821 K822 K827 N828 Y845	G817-A824 WeakPolarHBondContact O-CB 3.21Å; D820-A824 PolarHBondContact O-N 2.83Å; Q821-A824 WeakPolarHBondContact O-CB 3.46Å; Q821-A824 PolarHBondContact O-N 2.89Å; K822-A824 VanDerWaalsContact C-N 3.32Å; K822-A824 PolarHBondContact O-N 3.45Å; A824-K827 PolarHBondContact O-N 2.86Å; A824-N828 WeakPolarHBondContact O-CB 3.48Å; A824-N828 PolarHBondContact O-N 3.23Å; A824-Y845 PolarHBondContact O-OH 3.36Å
825	Q	84.8	Confident	76.8	Confident	113 Å²	113	43.2 Å²	43.2	53%	0.528	21%	0.211	S	C	.	.	H	α-helix	trans	-64.8	-41.9	176.6	-73.3	172	-3.3	0	0	112.2	Q821 K822 N828 K829	Q821-Q825 VanDerWaalsContact O-CG 3.32Å; Q821-Q825 WeakPolarHBondContact O-CG 3.42Å; Q821-Q825 PolarHBondContact O-N 3.35Å; K822-Q825 PolarHBondContact O-N 2.96Å; Q825-N828 WeakPolarHBondContact O-CB 3.2Å; Q825-N828 PolarHBondContact O-N 3.46Å; Q825-K829 PolarHBondContact O-N 2.99Å
826	L	84.2	Confident	75.8	Confident	23 Å²	23	47.5 Å²	47.5	12%	0.12	23%	0.231	C	C	.	.	H	α-helix	trans	-66.4	-43.2	176.6	-67.2	173.2	0	0	0	111.4	Y684 Y685 H688 K822 T823 N828 K829 F830	Y684-L826 HydrophobicContact CD1-CD1 4.02Å; Y684-L826 HydrophobicContact CD1-CD2 3.84Å; Y684-L826 HydrophobicContact CE1-CD1 3.69Å; Y684-L826 HydrophobicContact CE1-CD2 3.58Å; Y684-L826 HydrophobicContact CE1-CG 4.28Å; Y685-L826 HydrophobicContact CD2-CB 3.82Å; Y685-L826 HydrophobicContact CD2-CD1 4.47Å; Y685-L826 HydrophobicContact CE2-CB 4.35Å; H688-L826 HydrophobicContact CB-CD1 3.69Å; K822-L826 HydrophobicContact CG-CD1 4.38Å; K822-L826 VanDerWaalsContact O-CG 3.29Å; K822-L826 WeakPolarHBondContact O-CG 2.94Å; K822-L826 PolarHBondContact O-N 3.4Å; T823-L826 PolarHBondContact O-N 3.31Å; L826-N828 VanDerWaalsContact C-N 3.3Å; L826-N828 PolarHBondContact O-N 3.04Å; L826-K829 VanDerWaalsContact O-CB 3.3Å; L826-K829 WeakPolarHBondContact O-CB 3.28Å; L826-K829 PolarHBondContact O-N 3.05Å; L826-K829 VanDerWaalsContact O-N 3.07Å; L826-F830 WeakPolarHBondContact O-CD2 3.25Å; L826-F830 PolarHBondContact O-N 3.33Å
827	K	74.6	Confident	74.2	Confident	24 Å²	24	48.6 Å²	48.6	10%	0.104	24%	0.238	C	C	.	.	H	α-helix	trans	-58.4	-43.2	173.4	-168.8	170.4	-176.5	170.1	0	111.2	T611 Y685 H813 T823 A824 K829 F830 L831	T611-K827 VanDerWaalsContact CG2-CE 3.46Å; T611-K827 HydrophobicContact CG2-CG 4.49Å; Y685-K827 HydrophobicContact CE2-CB 4.45Å; H813-K827 PolarHBondContact O-NZ 3.23Å; T823-K827 WeakPolarHBondContact O-CB 3.39Å; T823-K827 PolarHBondContact O-N 3.05Å; A824-K827 PolarHBondContact O-N 2.86Å; K827-K829 VanDerWaalsContact C-N 3.32Å; K827-K829 PolarHBondContact O-N 3.37Å; K827-F830 PolarHBondContact O-N 3.39Å; K827-L831 PolarHBondContact O-N 2.75Å; K827-L831 VanDerWaalsContact O-N 3.16Å
828	N	72.8	Confident	72.6	Confident	39 Å²	39	50.5 Å²	50.5	21%	0.209	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-37.6	173.2	-85.9	-10.4	0	0	0	113.5	A824 Q825 L826 F830 L831 K832 Y845	A824-N828 WeakPolarHBondContact O-CB 3.48Å; A824-N828 PolarHBondContact O-N 3.23Å; Q825-N828 WeakPolarHBondContact O-CB 3.2Å; Q825-N828 PolarHBondContact O-N 3.46Å; L826-N828 VanDerWaalsContact C-N 3.3Å; L826-N828 PolarHBondContact O-N 3.04Å; N828-F830 PolarHBondContact O-N 2.95Å; N828-L831 PolarHBondContact O-N 3.38Å; N828-L831 VanDerWaalsContact O-N 3.12Å; N828-K832 WeakPolarHBondContact O-CB 3.36Å; N828-K832 PolarHBondContact O-N 3.1Å; N828-Y845 WeakPolarHBondContact ND2-CE2 3.45Å; N828-Y845 PolarHBondContact ND2-OH 3.45Å; N828-Y845 WeakPolarHBondContact OD1-CE2 3.46Å; N828-Y845 PolarHBondContact OD1-OH 3.28Å
829	K	77.2	Confident	71.3	Confident	112 Å²	112	50.9 Å²	50.9	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-60	-36.1	177.5	-161	-169	-174.7	-154.1	0	111.8	E681 Q825 L826 K827 P833	E681-K829 WeakPolarHBondContact OE1-CE 3.29Å; E681-K829 IonicContact OE1-NZ 3.29Å; E681-K829 PolarHBondContact OE1-NZ 2.96Å; Q825-K829 PolarHBondContact O-N 2.99Å; L826-K829 VanDerWaalsContact O-CB 3.3Å; L826-K829 WeakPolarHBondContact O-CB 3.28Å; L826-K829 PolarHBondContact O-N 3.05Å; L826-K829 VanDerWaalsContact O-N 3.07Å; K827-K829 VanDerWaalsContact C-N 3.32Å; K827-K829 PolarHBondContact O-N 3.37Å; K829-P833 WeakPolarHBondContact O-CD 3.39Å
830	F	66.5	Low	70	Confident	9 Å²	9	53.2 Å²	53.2	4%	0.039	27%	0.274	C	S	.	.	H	α-helix	trans	-73.6	-35.3	173.6	-66.4	-76.8	0	0	0	113.6	L614 E681 L682 Y685 L826 K827 N828	L614-F830 HydrophobicContact CB-CB 4.42Å; L614-F830 HydrophobicContact CD1-CB 3.67Å; L614-F830 HydrophobicContact CD1-CD1 3.86Å; L614-F830 HydrophobicContact CD1-CD2 3.37Å; L614-F830 HydrophobicContact CD1-CE1 4.28Å; L614-F830 HydrophobicContact CD1-CE2 3.86Å; L614-F830 HydrophobicContact CD1-CG 3.37Å; L614-F830 HydrophobicContact CD1-CZ 4.27Å; L614-F830 HydrophobicContact CG-CB 4.22Å; L614-F830 HydrophobicContact CG-CD1 4.1Å; L614-F830 HydrophobicContact CG-CD2 4.45Å; L614-F830 HydrophobicContact CG-CG 4.03Å; E681-F830 HydrophobicContact CB-CD1 4.43Å; E681-F830 HydrophobicContact CB-CE1 3.51Å; E681-F830 HydrophobicContact CB-CZ 3.82Å; E681-F830 VanDerWaalsContact O-CZ 3.31Å; E681-F830 WeakPolarHBondContact O-CZ 3.37Å; L682-F830 HydrophobicContact CB-CE1 4.47Å; Y685-F830 HydrophobicContact CD1-CE2 4.18Å; Y685-F830 AromaticContact CD2-CE2 3.92Å; Y685-F830 HydrophobicContact CD2-CE2 3.92Å; Y685-F830 AromaticContact CG-CE2 3.6Å; Y685-F830 HydrophobicContact CG-CE2 3.6Å; Y685-F830 HydrophobicContact CG-CZ 4.17Å; L826-F830 WeakPolarHBondContact O-CD2 3.25Å; L826-F830 PolarHBondContact O-N 3.33Å; K827-F830 PolarHBondContact O-N 3.39Å; N828-F830 PolarHBondContact O-N 2.95Å
831	L	63.7	Low	68.7	Low	29 Å²	29	58.3 Å²	58.3	15%	0.152	30%	0.301	C	S	.	.	H	α-helix	trans	-74.1	-28.4	178.7	-74	174.3	0	0	0	112.6	T611 K827 N828 Y834 A835 V843	T611-L831 HydrophobicContact CG2-CD1 4Å; T611-L831 HydrophobicContact CG2-CD2 3.65Å; T611-L831 HydrophobicContact CG2-CG 4.04Å; K827-L831 PolarHBondContact O-N 2.75Å; K827-L831 VanDerWaalsContact O-N 3.16Å; N828-L831 PolarHBondContact O-N 3.38Å; N828-L831 VanDerWaalsContact O-N 3.12Å; L831-Y834 CarbonylContact O-C 3.56Å; L831-Y834 WeakPolarHBondContact O-CB 3.07Å; L831-Y834 PolarHBondContact O-N 3.48Å; L831-Y834 VanDerWaalsContact O-N 3.14Å; L831-A835 WeakPolarHBondContact O-CB 3.32Å; L831-A835 PolarHBondContact O-N 2.88Å; L831-V843 HydrophobicContact CB-CG1 4.11Å; L831-V843 HydrophobicContact CB-CG2 4.21Å; L831-V843 HydrophobicContact CD1-CG1 4.26Å
832	K	66.9	Low	67.7	Low	103 Å²	103	58.8 Å²	58.8	45%	0.448	30%	0.303	S	S	.	.	H	α-helix	trans	-58.8	-50.7	-174.5	-177.2	-178.1	-166.1	-103.7	0	113.3	N828 Y834 A835 E836 V843	N828-K832 WeakPolarHBondContact O-CB 3.36Å; N828-K832 PolarHBondContact O-N 3.1Å; K832-Y834 PolarHBondContact O-N 3.36Å; K832-A835 PolarHBondContact O-N 3.42Å; K832-A835 VanDerWaalsContact O-N 3.13Å; K832-E836 VanDerWaalsContact CE-OE1 3.22Å; K832-E836 WeakPolarHBondContact CE-OE1 3.41Å; K832-E836 HydrophobicContact CG-CG 4.27Å; K832-E836 WeakPolarHBondContact CG-OE1 3.48Å; K832-E836 IonicContact NZ-OE1 3.75Å; K832-E836 PolarHBondContact NZ-OE1 2.67Å; K832-E836 WeakPolarHBondContact O-CB 3.44Å; K832-E836 VanDerWaalsContact O-CG 3.27Å; K832-E836 WeakPolarHBondContact O-CG 3.27Å; K832-E836 PolarHBondContact O-N 3.24Å; K832-V843 HydrophobicContact CB-CG2 4.23Å
833	P	58.9	Low	66.5	Low	27 Å²	27	57 Å²	57	18%	0.175	30%	0.299	C	S	.	.	H	α-helix	trans	-58.9	-36.4	175.1	-21.2	29.1	0	0	0	112.9	R678 K829 S837	R678-P833 VanDerWaalsContact CZ-CG 3.45Å; K829-P833 WeakPolarHBondContact O-CD 3.39Å; P833-S837 VanDerWaalsContact O-CB 3.31Å; P833-S837 WeakPolarHBondContact O-CB 3.37Å; P833-S837 PolarHBondContact O-N 2.77Å
834	Y	54.5	Low	65.5	Low	41 Å²	41	59.8 Å²	59.8	16%	0.161	32%	0.318	C	S	.	.	H	α-helix	trans	-68.8	-41.9	176.2	179.6	-94.4	0	0	0	111.4	P612 L831 K832 S837 L838 N1132	P612-Y834 WeakPolarHBondContact O-CE2 3.26Å; L831-Y834 CarbonylContact O-C 3.56Å; L831-Y834 WeakPolarHBondContact O-CB 3.07Å; L831-Y834 PolarHBondContact O-N 3.48Å; L831-Y834 VanDerWaalsContact O-N 3.14Å; K832-Y834 PolarHBondContact O-N 3.36Å; Y834-S837 WeakPolarHBondContact CA-OG 3.34Å; Y834-S837 CarbonylContact O-C 3.58Å; Y834-S837 WeakPolarHBondContact O-CB 3.16Å; Y834-S837 PolarHBondContact O-N 2.93Å; Y834-S837 PolarHBondContact O-OG 3.33Å; Y834-L838 HydrophobicContact CD1-CD1 4.11Å; Y834-L838 HydrophobicContact CE1-CD1 3.56Å; Y834-L838 HydrophobicContact CE1-CG 4.42Å; Y834-L838 PolarHBondContact O-N 3.46Å; Y834-L838 VanDerWaalsContact O-N 3.15Å; Y834-N1132 PolarHBondContact OH-ND2 3.04Å; Y834-N1132 VanDerWaalsContact OH-ND2 3.1Å
835	A	56.4	Low	64.6	Low	7 Å²	7	63.2 Å²	63.2	6%	0.058	33%	0.329	C	S	.	.	H	α-helix	trans	-67	-42.3	174.9	0	0	0	0	0	112.1	L831 K832 S837 L838 G839 I840 V843	L831-A835 WeakPolarHBondContact O-CB 3.32Å; L831-A835 PolarHBondContact O-N 2.88Å; K832-A835 PolarHBondContact O-N 3.42Å; K832-A835 VanDerWaalsContact O-N 3.13Å; A835-S837 PolarHBondContact O-N 2.83Å; A835-L838 CarbonylContact O-C 3.42Å; A835-L838 WeakPolarHBondContact O-CA 3.27Å; A835-L838 WeakPolarHBondContact O-CB 3.35Å; A835-L838 PolarHBondContact O-N 3.08Å; A835-G839 PolarHBondContact O-N 3.42Å; A835-I840 CarbonylContact C-O 3.2Å; A835-I840 HydrophobicContact CB-CB 4.08Å; A835-I840 HydrophobicContact CB-CG2 4.36Å; A835-I840 WeakPolarHBondContact O-CA 3.22Å; A835-I840 WeakPolarHBondContact O-CB 3.31Å; A835-I840 PolarHBondContact O-N 3.42Å; A835-V843 HydrophobicContact CB-CG2 3.54Å
836	E	59.3	Low	63.6	Low	94 Å²	94	65.8 Å²	65.8	44%	0.439	33%	0.334	S	S	.	.	H	α-helix	trans	-58.1	-39.6	170.4	-72.6	170.4	172.3	0	0	110.5	K832 L838 G839	K832-E836 VanDerWaalsContact CE-OE1 3.22Å; K832-E836 WeakPolarHBondContact CE-OE1 3.41Å; K832-E836 HydrophobicContact CG-CG 4.27Å; K832-E836 WeakPolarHBondContact CG-OE1 3.48Å; K832-E836 IonicContact NZ-OE1 3.75Å; K832-E836 PolarHBondContact NZ-OE1 2.67Å; K832-E836 WeakPolarHBondContact O-CB 3.44Å; K832-E836 VanDerWaalsContact O-CG 3.27Å; K832-E836 WeakPolarHBondContact O-CG 3.27Å; K832-E836 PolarHBondContact O-N 3.24Å; E836-L838 PolarHBondContact O-N 2.94Å; E836-G839 PolarHBondContact O-N 3.25Å
837	S	51.2	Low	62.4	Low	22 Å²	22	66.9 Å²	66.9	15%	0.154	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-9.7	173.5	82.6	0	0	0	0	114.3	P833 Y834 A835 F1123	P833-S837 VanDerWaalsContact O-CB 3.31Å; P833-S837 WeakPolarHBondContact O-CB 3.37Å; P833-S837 PolarHBondContact O-N 2.77Å; Y834-S837 WeakPolarHBondContact CA-OG 3.34Å; Y834-S837 CarbonylContact O-C 3.58Å; Y834-S837 WeakPolarHBondContact O-CB 3.16Å; Y834-S837 PolarHBondContact O-N 2.93Å; Y834-S837 PolarHBondContact O-OG 3.33Å; A835-S837 PolarHBondContact O-N 2.83Å; S837-F1123 WeakPolarHBondContact O-CD1 3.46Å; S837-F1123 WeakPolarHBondContact O-CE1 3.42Å; S837-F1123 VanDerWaalsContact O-CZ 3.32Å; S837-F1123 WeakPolarHBondContact O-CZ 3.44Å
838	L	51.1	Low	61.6	Low	61 Å²	61	68.9 Å²	68.9	32%	0.319	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	4.8	170.6	-67.1	174.7	0	0	0	112.3	Y834 A835 E836 I840 F1123 L1135	Y834-L838 HydrophobicContact CD1-CD1 4.11Å; Y834-L838 HydrophobicContact CE1-CD1 3.56Å; Y834-L838 HydrophobicContact CE1-CG 4.42Å; Y834-L838 PolarHBondContact O-N 3.46Å; Y834-L838 VanDerWaalsContact O-N 3.15Å; A835-L838 CarbonylContact O-C 3.42Å; A835-L838 WeakPolarHBondContact O-CA 3.27Å; A835-L838 WeakPolarHBondContact O-CB 3.35Å; A835-L838 PolarHBondContact O-N 3.08Å; E836-L838 PolarHBondContact O-N 2.94Å; L838-I840 VanDerWaalsContact C-N 3.34Å; L838-I840 HydrophobicContact CB-CD1 3.98Å; L838-I840 HydrophobicContact CB-CG1 4.17Å; L838-I840 HydrophobicContact CD1-CD1 4.41Å; L838-F1123 VanDerWaalsContact C-CE1 3.49Å; L838-F1123 VanDerWaalsContact CA-CE1 3.43Å; L838-F1123 HydrophobicContact CD2-CZ 4.17Å; L838-L1135 HydrophobicContact CD2-CD2 4.41Å
839	G	54.3	Low	61.1	Low	59 Å²	59	70.3 Å²	70.3	61%	0.608	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	20.5	-176.1	0	0	0	0	0	113.8	A835 E836	A835-G839 PolarHBondContact O-N 3.42Å; E836-G839 PolarHBondContact O-N 3.25Å
840	I	59.7	Low	60.2	Low	78 Å²	78	68.7 Å²	68.7	40%	0.4	35%	0.354	S	S	.	.			trans	-102.5	109.1	-178.2	-56.8	170	0	0	0	109.1	A835 L838 Q842	A835-I840 CarbonylContact C-O 3.2Å; A835-I840 HydrophobicContact CB-CB 4.08Å; A835-I840 HydrophobicContact CB-CG2 4.36Å; A835-I840 WeakPolarHBondContact O-CA 3.22Å; A835-I840 WeakPolarHBondContact O-CB 3.31Å; A835-I840 PolarHBondContact O-N 3.42Å; L838-I840 VanDerWaalsContact C-N 3.34Å; L838-I840 HydrophobicContact CB-CD1 3.98Å; L838-I840 HydrophobicContact CB-CG1 4.17Å; L838-I840 HydrophobicContact CD1-CD1 4.41Å; I840-Q842 VanDerWaalsContact C-N 3.32Å; I840-Q842 VanDerWaalsContact CG2-O 3.25Å; I840-Q842 WeakPolarHBondContact CG2-O 3.3Å; I840-Q842 PolarHBondContact O-N 3.24Å
841	D	61.2	Low	59.6	Low	140 Å²	140	71.4 Å²	71.4	75%	0.749	37%	0.369	S	S	*	.	S	Bend	trans	-67.2	-30	-177.9	-67.5	-19.3	0	0	0	113.7
842	Q	65.3	Low	59.2	Low	160 Å²	160	70.7 Å²	70.7	75%	0.748	37%	0.365	S	S	*	.	S	Bend	trans	-130.9	118.7	-177.8	-65	-174.7	3.3	0	0	111.2	I840 S844	I840-Q842 VanDerWaalsContact C-N 3.32Å; I840-Q842 VanDerWaalsContact CG2-O 3.25Å; I840-Q842 WeakPolarHBondContact CG2-O 3.3Å; I840-Q842 PolarHBondContact O-N 3.24Å; Q842-S844 PolarHBondContact O-N 3.03Å
843	V	64	Low	58.7	Low	42 Å²	42	68.9 Å²	68.9	26%	0.255	37%	0.37	S	S	.	.			trans	-66.9	98.6	168.7	-173.8	0	0	0	0	108.1	L831 K832 A835	L831-V843 HydrophobicContact CB-CG1 4.11Å; L831-V843 HydrophobicContact CB-CG2 4.21Å; L831-V843 HydrophobicContact CD1-CG1 4.26Å; K832-V843 HydrophobicContact CB-CG2 4.23Å; A835-V843 HydrophobicContact CB-CG2 3.54Å
844	S	65.9	Low	58.7	Low	59 Å²	59	68.5 Å²	68.5	41%	0.413	37%	0.368	S	S	.	.			trans	-89.9	137.6	173.4	68.1	0	0	0	0	110.2	Q842 W846 P847	Q842-S844 PolarHBondContact O-N 3.03Å; S844-W846 PolarHBondContact OG-NE1 3.46Å; S844-P847 WeakPolarHBondContact O-CD 3.35Å
845	Y	64.1	Low	58.7	Low	85 Å²	85	67.7 Å²	67.7	33%	0.333	37%	0.367	S	S	.	.	S	Bend	trans	-83.8	-21	-178.8	-80.9	-72.5	0	0	0	113.7	A824 N828 F848 L849	A824-Y845 PolarHBondContact O-OH 3.36Å; N828-Y845 WeakPolarHBondContact ND2-CE2 3.45Å; N828-Y845 PolarHBondContact ND2-OH 3.45Å; N828-Y845 WeakPolarHBondContact OD1-CE2 3.46Å; N828-Y845 PolarHBondContact OD1-OH 3.28Å; Y845-F848 WeakPolarHBondContact O-CB 3.34Å; Y845-F848 PolarHBondContact O-N 3.41Å; Y845-F848 VanDerWaalsContact O-N 3.15Å; Y845-L849 WeakPolarHBondContact O-CG 3.27Å; Y845-L849 PolarHBondContact O-N 2.99Å
846	W	63.5	Low	58.7	Low	168 Å²	168	67.4 Å²	67.4	64%	0.636	37%	0.365	S	S	*	.	H	α-helix	trans	-60.3	-35.3	-173.5	77.2	-96.8	0	0	0	114	S844 F848 L849 L850	S844-W846 PolarHBondContact OG-NE1 3.46Å; W846-F848 VanDerWaalsContact C-N 3.32Å; W846-F848 PolarHBondContact O-N 3.47Å; W846-L849 PolarHBondContact O-N 2.94Å; W846-L850 HydrophobicContact CE3-CB 4.45Å; W846-L850 HydrophobicContact CE3-CD2 4.4Å; W846-L850 HydrophobicContact CZ3-CD2 3.91Å; W846-L850 VanDerWaalsContact O-CB 3.24Å; W846-L850 WeakPolarHBondContact O-CB 3.42Å; W846-L850 PolarHBondContact O-N 3.19Å
847	P	58.8	Low	58.7	Low	45 Å²	45	64.8 Å²	64.8	29%	0.292	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-39.1	177.4	-17.5	31.8	0	0	0	111.1	S844 L850 D851	S844-P847 WeakPolarHBondContact O-CD 3.35Å; P847-L850 PolarHBondContact O-N 2.97Å; P847-D851 WeakPolarHBondContact O-CB 3.44Å; P847-D851 PolarHBondContact O-N 2.76Å
848	F	57.3	Low	59.2	Low	67 Å²	67	66.9 Å²	66.9	29%	0.294	36%	0.361	S	S	.	.	H	α-helix	trans	-66.9	-42.9	175.6	-178.6	-88	0	0	0	111.6	Y818 Y845 W846 L850 D851 L852	Y818-F848 VanDerWaalsContact OH-CE1 3.26Å; Y818-F848 WeakPolarHBondContact OH-CE1 3.44Å; Y845-F848 WeakPolarHBondContact O-CB 3.34Å; Y845-F848 PolarHBondContact O-N 3.41Å; Y845-F848 VanDerWaalsContact O-N 3.15Å; W846-F848 VanDerWaalsContact C-N 3.32Å; W846-F848 PolarHBondContact O-N 3.47Å; F848-L850 VanDerWaalsContact C-N 3.28Å; F848-L850 PolarHBondContact O-N 3.16Å; F848-D851 PolarHBondContact O-N 2.85Å; F848-L852 HydrophobicContact CD1-CD1 4.43Å; F848-L852 HydrophobicContact CE1-CB 4.46Å; F848-L852 HydrophobicContact CE1-CD1 3.5Å; F848-L852 HydrophobicContact CZ-CD1 3.85Å; F848-L852 WeakPolarHBondContact O-CB 3.43Å; F848-L852 PolarHBondContact O-N 3.22Å
849	L	63	Low	59.8	Low	69 Å²	69	64.5 Å²	64.5	36%	0.361	35%	0.349	S	S	.	.	H	α-helix	trans	-64.3	-34.4	174.6	-68.7	174.4	0	0	0	111.8	Y818 Y845 W846 A853	Y818-L849 HydrophobicContact CE1-CD2 4.28Å; Y845-L849 WeakPolarHBondContact O-CG 3.27Å; Y845-L849 PolarHBondContact O-N 2.99Å; W846-L849 PolarHBondContact O-N 2.94Å; L849-A853 WeakPolarHBondContact O-CB 3.37Å; L849-A853 PolarHBondContact O-N 2.79Å
850	L	59.2	Low	60.3	Low	77 Å²	77	64.3 Å²	64.3	40%	0.403	33%	0.333	S	S	.	.	H	α-helix	trans	-68.8	-48.5	176.5	-170.3	75.2	0	0	0	111.3	W846 P847 F848 L852 A853 S854 L857	W846-L850 HydrophobicContact CE3-CB 4.45Å; W846-L850 HydrophobicContact CE3-CD2 4.4Å; W846-L850 HydrophobicContact CZ3-CD2 3.91Å; W846-L850 VanDerWaalsContact O-CB 3.24Å; W846-L850 WeakPolarHBondContact O-CB 3.42Å; W846-L850 PolarHBondContact O-N 3.19Å; P847-L850 PolarHBondContact O-N 2.97Å; F848-L850 VanDerWaalsContact C-N 3.28Å; F848-L850 PolarHBondContact O-N 3.16Å; L850-L852 VanDerWaalsContact C-N 3.26Å; L850-L852 PolarHBondContact O-N 3.44Å; L850-A853 PolarHBondContact O-N 2.84Å; L850-S854 PolarHBondContact O-N 2.8Å; L850-L857 HydrophobicContact CD1-CD2 3.48Å; L850-L857 VanDerWaalsContact CD1-CD2 3.48Å; L850-L857 HydrophobicContact CD2-CD2 3.62Å; L850-L857 HydrophobicContact CG-CD2 3.4Å; L850-L857 VanDerWaalsContact CG-CD2 3.4Å
851	D	53.4	Low	60.6	Low	66 Å²	66	65.1 Å²	65.1	35%	0.353	34%	0.338	S	S	.	.	H	α-helix	trans	-57.5	-42.4	174.6	-79.4	-4.8	0	0	0	110.9	R608 P847 F848	R608-D851 IonicContact CZ-OD2 2.7Å; R608-D851 VanDerWaalsContact CZ-OD2 3.22Å; R608-D851 IonicContact NE-OD2 2.74Å; R608-D851 PolarHBondContact NE-OD2 3.26Å; R608-D851 IonicContact NH2-OD2 3.36Å; R608-D851 PolarHBondContact NH2-OD2 2.81Å; P847-D851 WeakPolarHBondContact O-CB 3.44Å; P847-D851 PolarHBondContact O-N 2.76Å; F848-D851 PolarHBondContact O-N 2.85Å
852	L	55.1	Low	60.8	Low	14 Å²	14	58.9 Å²	58.9	7%	0.073	30%	0.304	C	S	.	.	H	α-helix	trans	-73.6	-41.4	-179.4	-163	154.2	0	0	0	111.8	F848 L850 S854 L945 F948	F848-L852 HydrophobicContact CD1-CD1 4.43Å; F848-L852 HydrophobicContact CE1-CB 4.46Å; F848-L852 HydrophobicContact CE1-CD1 3.5Å; F848-L852 HydrophobicContact CZ-CD1 3.85Å; F848-L852 WeakPolarHBondContact O-CB 3.43Å; F848-L852 PolarHBondContact O-N 3.22Å; L850-L852 VanDerWaalsContact C-N 3.26Å; L850-L852 PolarHBondContact O-N 3.44Å; L852-S854 PolarHBondContact O-N 3.07Å; L852-L945 HydrophobicContact CD2-CD1 4.31Å; L852-L945 HydrophobicContact CD2-CD2 3.28Å; L852-L945 HydrophobicContact CD2-CG 4.19Å; L852-F948 HydrophobicContact CD2-CD1 4.37Å; L852-F948 WeakPolarHBondContact O-CD1 3.26Å; L852-F948 WeakPolarHBondContact O-CE1 3.43Å
853	A	57.5	Low	60.9	Low	65 Å²	65	52.8 Å²	52.8	54%	0.537	28%	0.279	S	S	.	.	H	α-helix	trans	-65.8	-25.4	-179.5	0	0	0	0	0	112.7	L849 L850	L849-A853 WeakPolarHBondContact O-CB 3.37Å; L849-A853 PolarHBondContact O-N 2.79Å; L850-A853 PolarHBondContact O-N 2.84Å
854	S	58.6	Low	61.4	Low	19 Å²	19	59.6 Å²	59.6	13%	0.133	30%	0.3	C	S	.	.			trans	-158.9	84.2	-172.4	-172.5	0	0	0	0	112.9	L850 L852 G856 L857	L850-S854 PolarHBondContact O-N 2.8Å; L852-S854 PolarHBondContact O-N 3.07Å; S854-G856 PolarHBondContact O-N 2.89Å; S854-L857 WeakPolarHBondContact O-CB 3.37Å; S854-L857 PolarHBondContact O-N 3.41Å; S854-L857 WeakPolarHBondContact OG-CA 3.4Å; S854-L857 WeakPolarHBondContact OG-CB 3.21Å; S854-L857 PolarHBondContact OG-N 3.04Å
855	P	53.2	Low	61.7	Low	24 Å²	24	60.9 Å²	60.9	16%	0.156	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.7	164.5	25.1	-32	0	0	0	112.1	F601 F948 L952 I965	F601-P855 HydrophobicContact CE2-CB 4.03Å; F601-P855 HydrophobicContact CZ-CB 4.32Å; P855-F948 HydrophobicContact CG-CE1 4.26Å; P855-F948 HydrophobicContact CG-CZ 3.73Å; P855-L952 HydrophobicContact CG-CD1 4.07Å; P855-L952 HydrophobicContact CG-CD2 3.75Å; P855-I965 HydrophobicContact CB-CD1 4.06Å
856	G	56.4	Low	62.3	Low	1 Å²	1	60.3 Å²	60.3	1%	0.01	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-0.5	169.2	0	0	0	0	0	114.2	S854 Q858 Q859 I860 Y930	S854-G856 PolarHBondContact O-N 2.89Å; G856-Q858 PolarHBondContact O-N 3.36Å; G856-Q859 CarbonylContact O-C 3.5Å; G856-Q859 WeakPolarHBondContact O-CA 3.15Å; G856-Q859 WeakPolarHBondContact O-CB 3.22Å; G856-Q859 PolarHBondContact O-N 3.2Å; G856-I860 WeakPolarHBondContact O-CG1 3.2Å; G856-I860 PolarHBondContact O-N 3.42Å; G856-Y930 WeakPolarHBondContact CA-OH 3.48Å; G856-Y930 PolarHBondContact N-OH 2.57Å
857	L	60.6	Low	63	Low	39 Å²	39	56.2 Å²	56.2	20%	0.204	30%	0.299	C	S	.	.	H	α-helix	trans	-60.1	-40.3	-174.7	-174.3	61.5	0	0	0	111.2	L850 S854 Q859 I860 L861	L850-L857 HydrophobicContact CD1-CD2 3.48Å; L850-L857 VanDerWaalsContact CD1-CD2 3.48Å; L850-L857 HydrophobicContact CD2-CD2 3.62Å; L850-L857 HydrophobicContact CG-CD2 3.4Å; L850-L857 VanDerWaalsContact CG-CD2 3.4Å; S854-L857 WeakPolarHBondContact O-CB 3.37Å; S854-L857 PolarHBondContact O-N 3.41Å; S854-L857 WeakPolarHBondContact OG-CA 3.4Å; S854-L857 WeakPolarHBondContact OG-CB 3.21Å; S854-L857 PolarHBondContact OG-N 3.04Å; L857-Q859 PolarHBondContact O-N 3.37Å; L857-I860 HydrophobicContact CD1-CB 4.48Å; L857-I860 PolarHBondContact O-N 2.94Å; L857-I860 VanDerWaalsContact O-N 3.13Å; L857-L861 HydrophobicContact CD1-CD1 4.39Å; L857-L861 HydrophobicContact CD1-CG 4.08Å; L857-L861 HydrophobicContact CD2-CD1 4.27Å; L857-L861 HydrophobicContact CG-CD1 3.84Å; L857-L861 HydrophobicContact CG-CG 3.99Å; L857-L861 WeakPolarHBondContact O-CB 3.2Å; L857-L861 VanDerWaalsContact O-CG 3.27Å; L857-L861 WeakPolarHBondContact O-CG 3.48Å; L857-L861 PolarHBondContact O-N 3.1Å
858	Q	60.6	Low	64.2	Low	66 Å²	66	60.4 Å²	60.4	31%	0.308	32%	0.317	S	S	.	.	H	α-helix	trans	-53.2	-43.9	175.5	-176.5	179.8	-3	0	0	110.5	G856 Q862 L992	G856-Q858 PolarHBondContact O-N 3.36Å; Q858-Q862 WeakPolarHBondContact O-CB 3.38Å; Q858-Q862 WeakPolarHBondContact O-CG 3.36Å; Q858-Q862 PolarHBondContact O-N 2.93Å; Q858-L992 HydrophobicContact CG-CD1 4.42Å
859	Q	63.7	Low	65.4	Low	12 Å²	12	63.1 Å²	63.1	6%	0.056	33%	0.33	C	S	.	.	H	α-helix	trans	-74.6	-37.1	176.6	-68.2	-147.7	-18.1	0	0	113.4	G856 L857 L861 Q862 S863 M926 L964	G856-Q859 CarbonylContact O-C 3.5Å; G856-Q859 WeakPolarHBondContact O-CA 3.15Å; G856-Q859 WeakPolarHBondContact O-CB 3.22Å; G856-Q859 PolarHBondContact O-N 3.2Å; L857-Q859 PolarHBondContact O-N 3.37Å; Q859-L861 VanDerWaalsContact C-N 3.32Å; Q859-L861 PolarHBondContact O-N 2.89Å; Q859-Q862 CarbonylContact O-C 3.59Å; Q859-Q862 WeakPolarHBondContact O-CB 3.49Å; Q859-Q862 PolarHBondContact O-N 3.06Å; Q859-S863 WeakPolarHBondContact O-CB 3.09Å; Q859-S863 PolarHBondContact O-N 3.36Å; Q859-M926 HydrophobicContact CB-CE 3.19Å; Q859-M926 HydrophobicContact CG-CE 4.02Å; Q859-L964 PolarHBondContact NE2-O 3.06Å; Q859-L964 VanDerWaalsContact OE1-CG 3.29Å
860	I	65.9	Low	66.5	Low	55 Å²	55	60.9 Å²	60.9	28%	0.282	32%	0.319	S	S	.	.	H	α-helix	trans	-59.6	-46.6	173.3	-65.7	170.3	0	0	0	109.6	G856 L857 S863 R864 M926 Y930	G856-I860 WeakPolarHBondContact O-CG1 3.2Å; G856-I860 PolarHBondContact O-N 3.42Å; L857-I860 HydrophobicContact CD1-CB 4.48Å; L857-I860 PolarHBondContact O-N 2.94Å; L857-I860 VanDerWaalsContact O-N 3.13Å; I860-S863 PolarHBondContact O-N 3.36Å; I860-S863 PolarHBondContact O-OG 3.21Å; I860-R864 WeakPolarHBondContact O-CG 3.45Å; I860-R864 PolarHBondContact O-N 2.99Å; I860-M926 HydrophobicContact CG1-CG 4.29Å; I860-M926 HydrophobicContact CG1-SD 4.45Å; I860-Y930 HydrophobicContact CD1-CE2 4.18Å
861	L	64.8	Low	67.8	Low	95 Å²	95	61.3 Å²	61.3	50%	0.497	32%	0.321	S	S	.	.	H	α-helix	trans	-62.6	-42.7	175.4	-69.3	173.9	0	0	0	111.2	L857 Q859 S863 R864	L857-L861 HydrophobicContact CD1-CD1 4.39Å; L857-L861 HydrophobicContact CD1-CG 4.08Å; L857-L861 HydrophobicContact CD2-CD1 4.27Å; L857-L861 HydrophobicContact CG-CD1 3.84Å; L857-L861 HydrophobicContact CG-CG 3.99Å; L857-L861 WeakPolarHBondContact O-CB 3.2Å; L857-L861 VanDerWaalsContact O-CG 3.27Å; L857-L861 WeakPolarHBondContact O-CG 3.48Å; L857-L861 PolarHBondContact O-N 3.1Å; Q859-L861 VanDerWaalsContact C-N 3.32Å; Q859-L861 PolarHBondContact O-N 2.89Å; L861-S863 VanDerWaalsContact C-N 3.32Å; L861-S863 PolarHBondContact O-N 2.85Å; L861-R864 PolarHBondContact O-N 3.46Å
862	Q	65	Low	69.6	Low	9 Å²	9	63.9 Å²	63.9	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-58.6	-41.2	172.7	-76.6	166.8	-1.7	0	0	112.4	Q858 Q859 R864 W865 L991	Q858-Q862 WeakPolarHBondContact O-CB 3.38Å; Q858-Q862 WeakPolarHBondContact O-CG 3.36Å; Q858-Q862 PolarHBondContact O-N 2.93Å; Q859-Q862 CarbonylContact O-C 3.59Å; Q859-Q862 WeakPolarHBondContact O-CB 3.49Å; Q859-Q862 PolarHBondContact O-N 3.06Å; Q862-R864 PolarHBondContact O-N 2.97Å; Q862-W865 PolarHBondContact O-N 3.25Å; Q862-L991 HydrophobicContact CB-CD2 4.27Å; Q862-L991 HydrophobicContact CG-CB 4.06Å; Q862-L991 HydrophobicContact CG-CD1 4.32Å; Q862-L991 HydrophobicContact CG-CD2 3.54Å; Q862-L991 HydrophobicContact CG-CG 4.18Å
863	S	69	Low	71.3	Confident	31 Å²	31	63.4 Å²	63.4	22%	0.217	33%	0.325	C	S	.	.	H	α-helix	trans	-66.2	-20.7	180	79.3	0	0	0	0	113.3	Q859 I860 L861	Q859-S863 WeakPolarHBondContact O-CB 3.09Å; Q859-S863 PolarHBondContact O-N 3.36Å; I860-S863 PolarHBondContact O-N 3.36Å; I860-S863 PolarHBondContact O-OG 3.21Å; L861-S863 VanDerWaalsContact C-N 3.32Å; L861-S863 PolarHBondContact O-N 2.85Å
864	R	73.4	Confident	72.9	Confident	186 Å²	186	61.8 Å²	61.8	70%	0.702	31%	0.307	S	S	*	.	H	α-helix	trans	-83.3	-16.8	177.2	-65.4	-64.4	179.9	171.5	-3.7	113.3	I860 L861 Q862	I860-R864 WeakPolarHBondContact O-CG 3.45Å; I860-R864 PolarHBondContact O-N 2.99Å; L861-R864 PolarHBondContact O-N 3.46Å; Q862-R864 PolarHBondContact O-N 2.97Å
865	W	73.3	Confident	74.5	Confident	86 Å²	86	68.2 Å²	68.2	33%	0.326	33%	0.333	S	S	.	.	S	Bend	trans	-73.9	136.5	175.2	-81	23.8	0	0	0	110.5	Q862 L870 L991 L994	Q862-W865 PolarHBondContact O-N 3.25Å; W865-L870 HydrophobicContact CE3-CD1 3.64Å; W865-L870 HydrophobicContact CZ3-CD1 4.04Å; W865-L991 HydrophobicContact CD2-CD1 3.8Å; W865-L991 HydrophobicContact CD2-CD2 3.87Å; W865-L991 HydrophobicContact CD2-CG 4.11Å; W865-L991 HydrophobicContact CE3-CD1 3.2Å; W865-L991 HydrophobicContact CE3-CD2 4.14Å; W865-L991 HydrophobicContact CE3-CG 3.85Å; W865-L991 HydrophobicContact CG-CD2 4.4Å; W865-L991 HydrophobicContact CH2-CD1 3.8Å; W865-L991 HydrophobicContact CH2-CD2 4.11Å; W865-L991 HydrophobicContact CH2-CG 3.59Å; W865-L991 HydrophobicContact CZ2-CD1 4.35Å; W865-L991 HydrophobicContact CZ2-CD2 3.89Å; W865-L991 HydrophobicContact CZ2-CG 3.9Å; W865-L991 HydrophobicContact CZ3-CD1 3.18Å; W865-L991 HydrophobicContact CZ3-CD2 4.24Å; W865-L991 HydrophobicContact CZ3-CG 3.57Å; W865-L994 HydrophobicContact CH2-CB 3.79Å; W865-L994 HydrophobicContact CZ3-CB 3.87Å; W865-L994 HydrophobicContact CZ3-CD1 3.96Å
866	T	76.2	Confident	76.4	Confident	72 Å²	72	68.2 Å²	68.2	44%	0.442	33%	0.331	S	S	.	.			trans	-70.6	136.9	174.3	63	0	0	0	0	109.5	I868 Q869 L870	T866-I868 PolarHBondContact O-N 3.26Å; T866-I868 VanDerWaalsContact O-N 3.1Å; T866-Q869 PolarHBondContact O-N 3.4Å; T866-Q869 VanDerWaalsContact O-N 3.12Å; T866-Q869 WeakPolarHBondContact OG1-CB 3.42Å; T866-Q869 VanDerWaalsContact OG1-CD 3.24Å; T866-Q869 WeakPolarHBondContact OG1-CG 3.45Å; T866-Q869 PolarHBondContact OG1-N 3.28Å; T866-Q869 PolarHBondContact OG1-OE1 3.05Å; T866-L870 PolarHBondContact O-N 3.1Å; T866-L870 VanDerWaalsContact O-N 3.1Å
867	S	79.2	Confident	78.2	Confident	83 Å²	83	68.2 Å²	68.2	58%	0.58	33%	0.33	S	S	*	.	H	α-helix	trans	-54.9	-31.3	176.7	57.6	0	0	0	0	112.2	N871	S867-N871 VanDerWaalsContact O-CB 3.22Å; S867-N871 WeakPolarHBondContact O-CB 3.34Å; S867-N871 PolarHBondContact O-N 3.05Å; S867-N871 PolarHBondContact O-ND2 2.98Å; S867-N871 VanDerWaalsContact O-ND2 3.11Å
868	I	83	Confident	79.7	Confident	133 Å²	133	69.9 Å²	69.9	68%	0.682	34%	0.337	S	S	*	.	H	α-helix	trans	-65.3	-51.1	177.3	-59.7	172.1	0	0	0	111.4	T866 L870 N871 Y872	T866-I868 PolarHBondContact O-N 3.26Å; T866-I868 VanDerWaalsContact O-N 3.1Å; I868-L870 VanDerWaalsContact C-N 3.34Å; I868-L870 PolarHBondContact O-N 2.9Å; I868-N871 PolarHBondContact O-N 2.69Å; I868-Y872 WeakPolarHBondContact O-CB 3.35Å; I868-Y872 PolarHBondContact O-N 3.3Å
869	Q	83	Confident	81.3	Confident	123 Å²	123	72.4 Å²	72.4	58%	0.575	35%	0.348	S	S	*	.	H	α-helix	trans	-63.3	-42.3	179.6	-75.9	169.5	-31.6	0	0	111.5	T866 Y872 A873	T866-Q869 PolarHBondContact O-N 3.4Å; T866-Q869 VanDerWaalsContact O-N 3.12Å; T866-Q869 WeakPolarHBondContact OG1-CB 3.42Å; T866-Q869 VanDerWaalsContact OG1-CD 3.24Å; T866-Q869 WeakPolarHBondContact OG1-CG 3.45Å; T866-Q869 PolarHBondContact OG1-N 3.28Å; T866-Q869 PolarHBondContact OG1-OE1 3.05Å; Q869-Y872 PolarHBondContact O-N 3.14Å; Q869-A873 WeakPolarHBondContact O-CB 3.4Å; Q869-A873 PolarHBondContact O-N 2.96Å
870	L	84.7	Confident	82.7	Confident	23 Å²	23	73.4 Å²	73.4	12%	0.12	35%	0.353	C	S	.	.	H	α-helix	trans	-61.5	-48.6	177	-170.8	92.7	0	0	0	111.2	W865 T866 I868 Y872 A873 I874 L917 L991 L994	W865-L870 HydrophobicContact CE3-CD1 3.64Å; W865-L870 HydrophobicContact CZ3-CD1 4.04Å; T866-L870 PolarHBondContact O-N 3.1Å; T866-L870 VanDerWaalsContact O-N 3.1Å; I868-L870 VanDerWaalsContact C-N 3.34Å; I868-L870 PolarHBondContact O-N 2.9Å; L870-Y872 VanDerWaalsContact C-N 3.3Å; L870-Y872 PolarHBondContact O-N 3.26Å; L870-A873 PolarHBondContact O-N 3.33Å; L870-I874 HydrophobicContact CD2-CD1 3.9Å; L870-I874 HydrophobicContact CG-CD1 3.87Å; L870-I874 VanDerWaalsContact O-CG1 3.29Å; L870-I874 WeakPolarHBondContact O-CG1 3.47Å; L870-I874 PolarHBondContact O-N 3.35Å; L870-L917 HydrophobicContact CD1-CD1 4.09Å; L870-L917 HydrophobicContact CD1-CD2 3.87Å; L870-L917 HydrophobicContact CD2-CD2 3.94Å; L870-L917 HydrophobicContact CG-CD2 4.48Å; L870-L991 HydrophobicContact CD1-CD1 3.31Å; L870-L994 HydrophobicContact CD1-CD1 4.27Å
871	N	88.4	Confident	84	Confident	85 Å²	85	70.8 Å²	70.8	46%	0.455	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-38.1	179.1	-75.2	-22.9	0	0	0	112.1	S867 I868 K875	S867-N871 VanDerWaalsContact O-CB 3.22Å; S867-N871 WeakPolarHBondContact O-CB 3.34Å; S867-N871 PolarHBondContact O-N 3.05Å; S867-N871 PolarHBondContact O-ND2 2.98Å; S867-N871 VanDerWaalsContact O-ND2 3.11Å; I868-N871 PolarHBondContact O-N 2.69Å; N871-K875 WeakPolarHBondContact O-CB 3.45Å; N871-K875 VanDerWaalsContact O-CG 3.25Å; N871-K875 WeakPolarHBondContact O-CG 3.43Å; N871-K875 PolarHBondContact O-N 3.25Å
872	Y	91	Very high	85.4	Confident	121 Å²	121	66.2 Å²	66.2	48%	0.475	32%	0.316	S	S	.	.	H	α-helix	trans	-62.8	-48.6	173.5	176.9	-95.9	0	0	0	111.3	I868 Q869 L870 I874 K875 Q876 P1001	I868-Y872 WeakPolarHBondContact O-CB 3.35Å; I868-Y872 PolarHBondContact O-N 3.3Å; Q869-Y872 PolarHBondContact O-N 3.14Å; L870-Y872 VanDerWaalsContact C-N 3.3Å; L870-Y872 PolarHBondContact O-N 3.26Å; Y872-I874 PolarHBondContact O-N 3.34Å; Y872-K875 WeakPolarHBondContact O-CB 3.29Å; Y872-K875 PolarHBondContact O-N 3.22Å; Y872-Q876 PolarHBondContact O-N 3.18Å; Y872-P1001 HydrophobicContact CD1-CB 4.46Å; Y872-P1001 HydrophobicContact CE1-CB 4.34Å; Y872-P1001 WeakPolarHBondContact CE1-O 3.24Å
873	A	90	Very high	86.9	Confident	4 Å²	4	67.9 Å²	67.9	3%	0.033	33%	0.327	C	S	.	.	H	α-helix	trans	-62.2	-40.5	179.7	0	0	0	0	0	112.7	Q869 L870 Q876 F877 L994 P1001	Q869-A873 WeakPolarHBondContact O-CB 3.4Å; Q869-A873 PolarHBondContact O-N 2.96Å; L870-A873 PolarHBondContact O-N 3.33Å; A873-Q876 PolarHBondContact O-N 2.97Å; A873-F877 WeakPolarHBondContact O-CB 3.45Å; A873-F877 PolarHBondContact O-N 2.87Å; A873-L994 HydrophobicContact CB-CD1 4.03Å; A873-L994 HydrophobicContact CB-CD2 4.15Å; A873-P1001 HydrophobicContact CB-CB 3.79Å; A873-P1001 HydrophobicContact CB-CG 3.96Å
874	I	90.9	Very high	88.1	Confident	30 Å²	30	68.1 Å²	68.1	15%	0.154	33%	0.327	C	S	.	.	H	α-helix	trans	-64.1	-43.4	175.2	-67.3	164.6	0	0	0	111	L870 Y872 Q876 F877 H878 I915 L917 I989	L870-I874 HydrophobicContact CD2-CD1 3.9Å; L870-I874 HydrophobicContact CG-CD1 3.87Å; L870-I874 VanDerWaalsContact O-CG1 3.29Å; L870-I874 WeakPolarHBondContact O-CG1 3.47Å; L870-I874 PolarHBondContact O-N 3.35Å; Y872-I874 PolarHBondContact O-N 3.34Å; I874-Q876 VanDerWaalsContact C-N 3.33Å; I874-F877 PolarHBondContact O-N 3.36Å; I874-H878 WeakPolarHBondContact O-CB 3.49Å; I874-H878 PolarHBondContact O-N 2.86Å; I874-I915 HydrophobicContact CG2-CG2 4.09Å; I874-L917 HydrophobicContact CD1-CB 4.33Å; I874-I989 HydrophobicContact CG1-CD1 4.24Å
875	K	92.8	Very high	89.1	Confident	155 Å²	155	59.2 Å²	59.2	67%	0.674	29%	0.294	S	S	*	.	H	α-helix	trans	-61.6	-43.2	175.8	-76.9	176.2	179.7	-174.3	0	111.4	N871 Y872 H878 H879	N871-K875 WeakPolarHBondContact O-CB 3.45Å; N871-K875 VanDerWaalsContact O-CG 3.25Å; N871-K875 WeakPolarHBondContact O-CG 3.43Å; N871-K875 PolarHBondContact O-N 3.25Å; Y872-K875 WeakPolarHBondContact O-CB 3.29Å; Y872-K875 PolarHBondContact O-N 3.22Å; K875-H878 WeakPolarHBondContact O-CB 3.25Å; K875-H878 PolarHBondContact O-N 2.78Å; K875-H879 PolarHBondContact O-N 2.86Å
876	Q	92.8	Very high	90.1	Very high	24 Å²	24	56 Å²	56	11%	0.112	28%	0.282	C	S	.	.	H	α-helix	trans	-64.6	-43.4	178	-164.4	63.4	13.8	0	0	111.4	Y872 A873 I874 H878 H879 E880 F999 P1001	Y872-Q876 PolarHBondContact O-N 3.18Å; A873-Q876 PolarHBondContact O-N 2.97Å; I874-Q876 VanDerWaalsContact C-N 3.33Å; Q876-H878 VanDerWaalsContact C-N 3.31Å; Q876-H878 PolarHBondContact O-N 3.37Å; Q876-H879 PolarHBondContact O-N 2.84Å; Q876-E880 HydrophobicContact CG-CG 4.03Å; Q876-E880 PolarHBondContact NE2-OE1 3.17Å; Q876-E880 WeakPolarHBondContact O-CB 3.15Å; Q876-E880 WeakPolarHBondContact O-CG 3.5Å; Q876-E880 PolarHBondContact O-N 2.88Å; Q876-F999 HydrophobicContact CB-CE1 4.43Å; Q876-F999 HydrophobicContact CB-CZ 4.14Å; Q876-F999 HydrophobicContact CG-CZ 3.95Å; Q876-P1001 HydrophobicContact CB-CB 4.43Å
877	F	93.1	Very high	90.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-42.1	174.8	-168.9	-82.9	0	0	0	111.6	A873 I874 I881 L882 I915 L987 I989 L993 F999 L1014 V1018	A873-F877 WeakPolarHBondContact O-CB 3.45Å; A873-F877 PolarHBondContact O-N 2.87Å; I874-F877 PolarHBondContact O-N 3.36Å; F877-I881 HydrophobicContact CD1-CB 4.32Å; F877-I881 HydrophobicContact CD2-CG1 4.08Å; F877-I881 HydrophobicContact CE1-CB 4.21Å; F877-I881 HydrophobicContact CE1-CG2 4.16Å; F877-I881 HydrophobicContact CE2-CB 4.45Å; F877-I881 HydrophobicContact CE2-CG1 4.15Å; F877-I881 HydrophobicContact CE2-CG2 4.44Å; F877-I881 HydrophobicContact CG-CB 4.48Å; F877-I881 HydrophobicContact CG-CG1 4.35Å; F877-I881 HydrophobicContact CZ-CB 4.28Å; F877-I881 HydrophobicContact CZ-CG1 4.48Å; F877-I881 HydrophobicContact CZ-CG2 3.99Å; F877-I881 WeakPolarHBondContact O-CA 3.48Å; F877-I881 WeakPolarHBondContact O-CB 2.78Å; F877-I881 PolarHBondContact O-N 3.15Å; F877-L882 PolarHBondContact O-N 3.2Å; F877-I915 HydrophobicContact CD1-CD1 3.71Å; F877-I915 HydrophobicContact CE1-CD1 4.25Å; F877-L987 HydrophobicContact CE1-CD2 4.25Å; F877-I989 HydrophobicContact CD1-CD1 4.49Å; F877-I989 HydrophobicContact CD1-CG2 4.39Å; F877-I989 HydrophobicContact CE1-CG2 3.92Å; F877-I989 HydrophobicContact CG-CD1 4.39Å; F877-I989 HydrophobicContact CZ-CG2 4.09Å; F877-L993 HydrophobicContact CD2-CD2 4.33Å; F877-L993 HydrophobicContact CE2-CD2 3.44Å; F877-L993 VanDerWaalsContact CE2-CD2 3.44Å; F877-L993 HydrophobicContact CE2-CG 4.36Å; F877-L993 HydrophobicContact CZ-CD2 3.81Å; F877-F999 HydrophobicContact CB-CE1 4Å; F877-F999 HydrophobicContact CB-CZ 4.19Å; F877-F999 HydrophobicContact CD2-CD1 4.11Å; F877-F999 HydrophobicContact CD2-CD2 4.49Å; F877-F999 HydrophobicContact CD2-CE1 4.18Å; F877-F999 HydrophobicContact CD2-CG 4.25Å; F877-F999 HydrophobicContact CD2-CZ 4.4Å; F877-L1014 HydrophobicContact CD2-CD1 4.39Å; F877-L1014 HydrophobicContact CE2-CD1 3.9Å; F877-L1014 HydrophobicContact CE2-CD2 3.95Å; F877-L1014 HydrophobicContact CE2-CG 4.4Å; F877-L1014 HydrophobicContact CZ-CD2 4.45Å; F877-V1018 HydrophobicContact CZ-CG2 4.38Å
878	H	94	Very high	91.5	Very high	74 Å²	74	53 Å²	53	34%	0.343	26%	0.26	S	S	.	.	I	π-helix	trans	-61.8	-47.1	175.7	-175.3	-68.9	0	0	0	112.2	I874 K875 Q876 L882 T883 I915	I874-H878 WeakPolarHBondContact O-CB 3.49Å; I874-H878 PolarHBondContact O-N 2.86Å; K875-H878 WeakPolarHBondContact O-CB 3.25Å; K875-H878 PolarHBondContact O-N 2.78Å; Q876-H878 VanDerWaalsContact C-N 3.31Å; Q876-H878 PolarHBondContact O-N 3.37Å; H878-L882 PolarHBondContact O-N 3.32Å; H878-T883 PolarHBondContact ND1-OG1 3.22Å; H878-T883 PolarHBondContact O-N 3.37Å; H878-T883 PolarHBondContact O-OG1 3.47Å; H878-I915 VanDerWaalsContact CA-CD1 3.48Å; H878-I915 HydrophobicContact CB-CD1 3.66Å
879	H	93.8	Very high	91.8	Very high	119 Å²	119	46.6 Å²	46.6	55%	0.551	23%	0.227	S	C	*	.	I	π-helix	trans	-70.5	-47.3	-175.9	-172	61.6	0	0	0	112.4	K875 Q876 T883 P884	K875-H879 PolarHBondContact O-N 2.86Å; Q876-H879 PolarHBondContact O-N 2.84Å; H879-T883 WeakPolarHBondContact O-CB 3.26Å; H879-P884 WeakPolarHBondContact O-CD 3.5Å
880	E	92.6	Very high	92.1	Very high	33 Å²	33	42.6 Å²	42.6	15%	0.154	21%	0.209	C	C	.	.	I	π-helix	trans	-86.2	-29.3	-173.1	-59.7	-63.6	165.1	0	0	113.4	Q876 P884 F1011 W1015	Q876-E880 HydrophobicContact CG-CG 4.03Å; Q876-E880 PolarHBondContact NE2-OE1 3.17Å; Q876-E880 WeakPolarHBondContact O-CB 3.15Å; Q876-E880 WeakPolarHBondContact O-CG 3.5Å; Q876-E880 PolarHBondContact O-N 2.88Å; E880-P884 WeakPolarHBondContact O-CG 3.41Å; E880-F1011 HydrophobicContact CB-CD1 4.41Å; E880-F1011 HydrophobicContact CB-CE1 3.89Å; E880-F1011 HydrophobicContact CB-CE2 4.03Å; E880-F1011 HydrophobicContact CB-CZ 3.66Å; E880-F1011 HydrophobicContact CG-CE1 4.2Å; E880-F1011 HydrophobicContact CG-CE2 4.25Å; E880-F1011 HydrophobicContact CG-CZ 3.68Å; E880-F1011 WeakPolarHBondContact OE2-CE2 3.44Å; E880-W1015 PolarHBondContact O-NE1 2.61Å
881	I	93.6	Very high	92.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	I	π-helix	trans	-107.3	-58	-174.1	-51.8	-54.4	0	0	0	111.9	F877 V885 F999 F1011 L1014 V1018	F877-I881 HydrophobicContact CD1-CB 4.32Å; F877-I881 HydrophobicContact CD2-CG1 4.08Å; F877-I881 HydrophobicContact CE1-CB 4.21Å; F877-I881 HydrophobicContact CE1-CG2 4.16Å; F877-I881 HydrophobicContact CE2-CB 4.45Å; F877-I881 HydrophobicContact CE2-CG1 4.15Å; F877-I881 HydrophobicContact CE2-CG2 4.44Å; F877-I881 HydrophobicContact CG-CB 4.48Å; F877-I881 HydrophobicContact CG-CG1 4.35Å; F877-I881 HydrophobicContact CZ-CB 4.28Å; F877-I881 HydrophobicContact CZ-CG1 4.48Å; F877-I881 HydrophobicContact CZ-CG2 3.99Å; F877-I881 WeakPolarHBondContact O-CA 3.48Å; F877-I881 WeakPolarHBondContact O-CB 2.78Å; F877-I881 PolarHBondContact O-N 3.15Å; I881-V885 WeakPolarHBondContact O-CG2 3.41Å; I881-F999 HydrophobicContact CD1-CE2 4.46Å; I881-F999 HydrophobicContact CG1-CE2 4.25Å; I881-F1011 HydrophobicContact CD1-CB 3.66Å; I881-F1011 HydrophobicContact CD1-CD1 3.57Å; I881-F1011 HydrophobicContact CD1-CE1 4.43Å; I881-F1011 HydrophobicContact CD1-CG 3.77Å; I881-L1014 HydrophobicContact CD1-CB 3.81Å; I881-L1014 HydrophobicContact CD1-CD1 3.81Å; I881-L1014 HydrophobicContact CD1-CG 4.47Å; I881-L1014 HydrophobicContact CG1-CB 4.06Å; I881-L1014 HydrophobicContact CG1-CD1 3.87Å; I881-L1014 HydrophobicContact CG2-CB 3.7Å; I881-V1018 HydrophobicContact CG2-CB 4.5Å; I881-V1018 HydrophobicContact CG2-CG2 3.91Å
882	L	94.5	Very high	91.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.199	C	C	.	.	I	π-helix	trans	-73.6	-43	-171.8	-179.4	64.2	0	0	0	112.2	F877 H878 V885 Q886 M913 I915 V1018 L1022	F877-L882 PolarHBondContact O-N 3.2Å; H878-L882 PolarHBondContact O-N 3.32Å; L882-V885 PolarHBondContact O-N 3.3Å; L882-Q886 HydrophobicContact CD1-CG 3.92Å; L882-Q886 HydrophobicContact CG-CG 4.02Å; L882-Q886 WeakPolarHBondContact O-CB 3.37Å; L882-Q886 WeakPolarHBondContact O-CG 3.24Å; L882-Q886 PolarHBondContact O-N 3.39Å; L882-M913 HydrophobicContact CD1-SD 4.31Å; L882-I915 HydrophobicContact CB-CD1 3.68Å; L882-I915 HydrophobicContact CD2-CD1 3.49Å; L882-I915 VanDerWaalsContact CD2-CD1 3.49Å; L882-I915 HydrophobicContact CD2-CG1 3.62Å; L882-I915 HydrophobicContact CG-CD1 4.2Å; L882-V1018 HydrophobicContact CD1-CG1 4.15Å; L882-L1022 HydrophobicContact CD1-CD1 4.39Å
883	T	95.2	Very high	91.6	Very high	44 Å²	44	35.6 Å²	35.6	27%	0.27	18%	0.177	S	C	.	.	H	α-helix	trans	-60.3	-47.9	-176.3	-52.3	0	0	0	0	111.9	H878 H879 V885 Q886 T887	H878-T883 PolarHBondContact ND1-OG1 3.22Å; H878-T883 PolarHBondContact O-N 3.37Å; H878-T883 PolarHBondContact O-OG1 3.47Å; H879-T883 WeakPolarHBondContact O-CB 3.26Å; T883-V885 VanDerWaalsContact C-N 3.34Å; T883-V885 PolarHBondContact O-N 3.23Å; T883-Q886 PolarHBondContact O-N 3.22Å; T883-T887 WeakPolarHBondContact O-CB 3.36Å; T883-T887 PolarHBondContact O-N 3.06Å; T883-T887 PolarHBondContact O-OG1 2.89Å
884	P	94.9	Very high	91.3	Very high	35 Å²	35	39.9 Å²	39.9	23%	0.227	20%	0.199	C	C	.	.	H	α-helix	trans	-63.6	-38.6	178.3	-25.3	38.2	0	0	0	112.8	H879 E880 T887 I888 I1084	H879-P884 WeakPolarHBondContact O-CD 3.5Å; E880-P884 WeakPolarHBondContact O-CG 3.41Å; P884-T887 PolarHBondContact O-N 3.02Å; P884-I888 PolarHBondContact O-N 3.49Å; P884-I888 VanDerWaalsContact O-N 3.11Å; P884-I1084 HydrophobicContact CB-CG2 3.54Å
885	V	94.8	Very high	90.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.4	-47.8	175.8	177.3	0	0	0	0	110.6	I881 L882 T883 T887 I888 M889 V1018 T1019 L1022 I1084	I881-V885 WeakPolarHBondContact O-CG2 3.41Å; L882-V885 PolarHBondContact O-N 3.3Å; T883-V885 VanDerWaalsContact C-N 3.34Å; T883-V885 PolarHBondContact O-N 3.23Å; V885-T887 PolarHBondContact O-N 3.49Å; V885-I888 PolarHBondContact O-N 2.71Å; V885-M889 HydrophobicContact CG1-CE 4.24Å; V885-M889 HydrophobicContact CG1-CG 4.33Å; V885-M889 HydrophobicContact CG1-SD 4.21Å; V885-M889 VanDerWaalsContact O-CB 3.26Å; V885-M889 WeakPolarHBondContact O-CB 3.17Å; V885-M889 VanDerWaalsContact O-CG 3.25Å; V885-M889 WeakPolarHBondContact O-CG 3.5Å; V885-M889 PolarHBondContact O-N 3.1Å; V885-V1018 HydrophobicContact CB-CG1 4.42Å; V885-V1018 HydrophobicContact CG1-CG1 4.15Å; V885-V1018 HydrophobicContact CG2-CG1 4.34Å; V885-T1019 WeakPolarHBondContact CG1-OG1 3.44Å; V885-L1022 HydrophobicContact CG1-CD1 3.86Å; V885-I1084 HydrophobicContact CB-CD1 4.1Å; V885-I1084 HydrophobicContact CG2-CD1 3.44Å; V885-I1084 VanDerWaalsContact CG2-CD1 3.44Å
886	Q	94.1	Very high	89.5	Confident	18 Å²	18	34.5 Å²	34.5	8%	0.084	17%	0.174	C	C	.	.	H	α-helix	trans	-59.2	-47.4	176.6	-76.1	174.3	-38.4	0	0	111.5	L882 T883 I888 M889 I890 I910 M913	L882-Q886 HydrophobicContact CD1-CG 3.92Å; L882-Q886 HydrophobicContact CG-CG 4.02Å; L882-Q886 WeakPolarHBondContact O-CB 3.37Å; L882-Q886 WeakPolarHBondContact O-CG 3.24Å; L882-Q886 PolarHBondContact O-N 3.39Å; T883-Q886 PolarHBondContact O-N 3.22Å; Q886-I888 PolarHBondContact O-N 3.4Å; Q886-M889 PolarHBondContact O-N 2.7Å; Q886-I890 HydrophobicContact CB-CD1 4.43Å; Q886-I890 WeakPolarHBondContact O-CB 3.15Å; Q886-I890 WeakPolarHBondContact O-CD1 3.39Å; Q886-I890 WeakPolarHBondContact O-CG1 3.46Å; Q886-I890 PolarHBondContact O-N 3.08Å; Q886-I910 HydrophobicContact CB-CG2 4.38Å; Q886-I910 HydrophobicContact CG-CG2 4.17Å; Q886-I910 PolarHBondContact NE2-O 3.27Å; Q886-M913 PolarHBondContact NE2-O 2.96Å
887	T	93.3	Very high	88.1	Confident	81 Å²	81	35 Å²	35	50%	0.497	18%	0.178	S	C	.	.	H	α-helix	trans	-57.1	-50	-179.1	-62.6	0	0	0	0	111.6	T883 P884 V885 I890 K891	T883-T887 WeakPolarHBondContact O-CB 3.36Å; T883-T887 PolarHBondContact O-N 3.06Å; T883-T887 PolarHBondContact O-OG1 2.89Å; P884-T887 PolarHBondContact O-N 3.02Å; V885-T887 PolarHBondContact O-N 3.49Å; T887-I890 PolarHBondContact O-N 3.25Å; T887-K891 WeakPolarHBondContact O-CB 3.41Å; T887-K891 PolarHBondContact O-N 2.73Å
888	I	90.7	Very high	86.4	Confident	10 Å²	10	39.1 Å²	39.1	5%	0.051	21%	0.206	C	C	.	.	H	α-helix	trans	-69.7	-40.7	-178.4	-73.5	164.4	0	0	0	111	P884 V885 Q886 I890 K891 L892 I1080 R1083 I1084	P884-I888 PolarHBondContact O-N 3.49Å; P884-I888 VanDerWaalsContact O-N 3.11Å; V885-I888 PolarHBondContact O-N 2.71Å; Q886-I888 PolarHBondContact O-N 3.4Å; I888-I890 PolarHBondContact O-N 3.37Å; I888-K891 PolarHBondContact O-N 3.33Å; I888-L892 HydrophobicContact CG2-CD1 3.95Å; I888-L892 HydrophobicContact CG2-CG 4.42Å; I888-L892 WeakPolarHBondContact O-CB 3.17Å; I888-L892 VanDerWaalsContact O-CG 3.22Å; I888-L892 WeakPolarHBondContact O-CG 3.37Å; I888-L892 PolarHBondContact O-N 2.75Å; I888-I1080 HydrophobicContact CG2-CG2 3.89Å; I888-R1083 HydrophobicContact CD1-CB 4.47Å; I888-I1084 HydrophobicContact CD1-CB 3.85Å; I888-I1084 HydrophobicContact CD1-CD1 4.32Å; I888-I1084 HydrophobicContact CD1-CG1 3.53Å; I888-I1084 HydrophobicContact CD1-CG2 4.24Å
889	M	89.6	Confident	84.7	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-40.5	175.2	-78.3	-158.2	-38.4	0	0	113.2	V885 Q886 L892 L893 I910 L1022 F1026 I1080	V885-M889 HydrophobicContact CG1-CE 4.24Å; V885-M889 HydrophobicContact CG1-CG 4.33Å; V885-M889 HydrophobicContact CG1-SD 4.21Å; V885-M889 VanDerWaalsContact O-CB 3.26Å; V885-M889 WeakPolarHBondContact O-CB 3.17Å; V885-M889 VanDerWaalsContact O-CG 3.25Å; V885-M889 WeakPolarHBondContact O-CG 3.5Å; V885-M889 PolarHBondContact O-N 3.1Å; Q886-M889 PolarHBondContact O-N 2.7Å; M889-L892 PolarHBondContact O-N 3.48Å; M889-L893 WeakPolarHBondContact O-CB 3.37Å; M889-L893 PolarHBondContact O-N 3.37Å; M889-I910 HydrophobicContact CB-CG2 4.39Å; M889-I910 HydrophobicContact CE-CB 4.32Å; M889-I910 HydrophobicContact CE-CD1 3.85Å; M889-I910 HydrophobicContact CE-CG1 3.87Å; M889-I910 HydrophobicContact CE-CG2 3.48Å; M889-I910 VanDerWaalsContact CE-CG2 3.48Å; M889-L1022 HydrophobicContact CE-CB 3.59Å; M889-L1022 HydrophobicContact CE-CD1 3.3Å; M889-L1022 HydrophobicContact CE-CG 3.98Å; M889-L1022 HydrophobicContact SD-CB 3.45Å; M889-L1022 WeakPolarHBondContact SD-CB 3.3Å; M889-L1022 HydrophobicContact SD-CD1 4.09Å; M889-L1022 HydrophobicContact SD-CG 4.38Å; M889-F1026 HydrophobicContact CB-CE2 4.25Å; M889-F1026 HydrophobicContact CB-CZ 3.83Å; M889-F1026 HydrophobicContact CG-CE2 3.79Å; M889-F1026 HydrophobicContact CG-CZ 3.9Å; M889-F1026 HydrophobicContact SD-CE2 3.48Å; M889-F1026 WeakPolarHBondContact SD-CE2 3.42Å; M889-F1026 HydrophobicContact SD-CZ 3.79Å; M889-I1080 HydrophobicContact CG-CD1 4.36Å
890	I	90.2	Very high	83.5	Confident	38 Å²	38	41.6 Å²	41.6	20%	0.195	22%	0.222	C	C	.	.	H	α-helix	trans	-67.5	-42.7	175.5	-69.7	164.7	0	0	0	110.2	Q886 T887 I888 L892 L893 N894 L907 I910	Q886-I890 HydrophobicContact CB-CD1 4.43Å; Q886-I890 WeakPolarHBondContact O-CB 3.15Å; Q886-I890 WeakPolarHBondContact O-CD1 3.39Å; Q886-I890 WeakPolarHBondContact O-CG1 3.46Å; Q886-I890 PolarHBondContact O-N 3.08Å; T887-I890 PolarHBondContact O-N 3.25Å; I888-I890 PolarHBondContact O-N 3.37Å; I890-L892 VanDerWaalsContact C-N 3.27Å; I890-L892 PolarHBondContact O-N 3.04Å; I890-L893 PolarHBondContact O-N 3Å; I890-N894 WeakPolarHBondContact O-CB 3.22Å; I890-N894 PolarHBondContact O-N 2.8Å; I890-L907 HydrophobicContact CG2-CD1 4.26Å; I890-L907 HydrophobicContact CG2-CG 4.49Å; I890-I910 HydrophobicContact CD1-CG2 4.23Å; I890-I910 HydrophobicContact CG1-CG2 3.86Å
891	K	86.9	Confident	82.8	Confident	69 Å²	69	46.5 Å²	46.5	30%	0.3	25%	0.247	S	C	.	.	H	α-helix	trans	-57.4	-42.2	175.1	-175.9	177.5	176.8	-179.1	0	111.1	T887 I888 R895 E1041	T887-K891 WeakPolarHBondContact O-CB 3.41Å; T887-K891 PolarHBondContact O-N 2.73Å; I888-K891 PolarHBondContact O-N 3.33Å; K891-R895 VanDerWaalsContact CE-NH2 3.31Å; K891-R895 WeakPolarHBondContact O-CG 3.4Å; K891-R895 PolarHBondContact O-N 3.38Å; K891-E1041 WeakPolarHBondContact CE-OE1 3.26Å; K891-E1041 IonicContact NZ-OE1 2.85Å; K891-E1041 PolarHBondContact NZ-OE1 3.23Å; K891-E1041 IonicContact NZ-OE2 2.69Å; K891-E1041 PolarHBondContact NZ-OE2 2.64Å
892	L	81.9	Confident	82.2	Confident	11 Å²	11	53.4 Å²	53.4	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-68.6	-44.5	176.7	-70.8	168.5	0	0	0	112.4	I888 M889 I890 N894 R895 S896 F1037 I1080	I888-L892 HydrophobicContact CG2-CD1 3.95Å; I888-L892 HydrophobicContact CG2-CG 4.42Å; I888-L892 WeakPolarHBondContact O-CB 3.17Å; I888-L892 VanDerWaalsContact O-CG 3.22Å; I888-L892 WeakPolarHBondContact O-CG 3.37Å; I888-L892 PolarHBondContact O-N 2.75Å; M889-L892 PolarHBondContact O-N 3.48Å; I890-L892 VanDerWaalsContact C-N 3.27Å; I890-L892 PolarHBondContact O-N 3.04Å; L892-N894 PolarHBondContact O-N 2.95Å; L892-R895 PolarHBondContact O-N 3.34Å; L892-S896 PolarHBondContact O-N 3.04Å; L892-S896 VanDerWaalsContact O-N 3.09Å; L892-F1037 HydrophobicContact CD1-CD2 4.21Å; L892-F1037 HydrophobicContact CD1-CE2 3.48Å; L892-F1037 VanDerWaalsContact CD1-CE2 3.48Å; L892-F1037 HydrophobicContact CD1-CZ 4.17Å; L892-F1037 HydrophobicContact CD2-CD2 3.63Å; L892-F1037 HydrophobicContact CD2-CE2 3.59Å; L892-F1037 HydrophobicContact CD2-CG 4.34Å; L892-F1037 HydrophobicContact CD2-CZ 4.23Å; L892-F1037 HydrophobicContact CG-CD2 4.43Å; L892-F1037 HydrophobicContact CG-CE2 4.12Å; L892-I1080 HydrophobicContact CD1-CD1 3.82Å; L892-I1080 HydrophobicContact CD1-CG1 3.75Å
893	L	83.5	Confident	81.5	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-47.3	175.3	-85.8	174.6	0	0	0	112.1	M889 I890 R895 S896 I897 L906 L907 I910 F1026 C1031	M889-L893 WeakPolarHBondContact O-CB 3.37Å; M889-L893 PolarHBondContact O-N 3.37Å; I890-L893 PolarHBondContact O-N 3Å; L893-R895 PolarHBondContact O-N 3.42Å; L893-R895 VanDerWaalsContact O-N 3.1Å; L893-S896 CarbonylContact O-C 3.51Å; L893-S896 PolarHBondContact O-N 3.09Å; L893-S896 PolarHBondContact O-OG 2.79Å; L893-I897 VanDerWaalsContact O-CG1 3.28Å; L893-I897 WeakPolarHBondContact O-CG1 3.35Å; L893-I897 PolarHBondContact O-N 2.86Å; L893-L906 HydrophobicContact CD1-CG 4.25Å; L893-L906 HydrophobicContact CD2-CD2 4.17Å; L893-L907 HydrophobicContact CB-CD1 4.28Å; L893-L907 HydrophobicContact CD1-CB 4.09Å; L893-I910 HydrophobicContact CD1-CD1 3.59Å; L893-F1026 HydrophobicContact CD1-CE1 3.66Å; L893-F1026 HydrophobicContact CD1-CZ 4.29Å; L893-F1026 HydrophobicContact CD2-CD1 3.94Å; L893-F1026 HydrophobicContact CD2-CE1 3.51Å; L893-F1026 HydrophobicContact CG-CD1 4.32Å; L893-F1026 HydrophobicContact CG-CE1 3.41Å; L893-F1026 VanDerWaalsContact CG-CE1 3.41Å; L893-F1026 HydrophobicContact CG-CZ 4.09Å; L893-C1031 HydrophobicContact CD2-CB 3.94Å
894	N	83.4	Confident	81	Confident	95 Å²	95	56.9 Å²	56.9	51%	0.508	29%	0.287	S	S	.	.	H	α-helix	trans	-56.7	-30	179.4	-81.5	-23.9	0	0	0	112.8	I890 L892 L907	I890-N894 WeakPolarHBondContact O-CB 3.22Å; I890-N894 PolarHBondContact O-N 2.8Å; L892-N894 PolarHBondContact O-N 2.95Å; N894-L907 WeakPolarHBondContact OD1-CD1 2.9Å
895	R	76.5	Confident	80.6	Confident	62 Å²	62	61 Å²	61	23%	0.234	30%	0.302	C	S	.	.	H	α-helix	trans	-77.1	-37.9	174.1	-65.5	175.3	-178.1	-167.1	-0.6	112	K891 L892 L893 I1036 G1040 E1041	K891-R895 VanDerWaalsContact CE-NH2 3.31Å; K891-R895 WeakPolarHBondContact O-CG 3.4Å; K891-R895 PolarHBondContact O-N 3.38Å; L892-R895 PolarHBondContact O-N 3.34Å; L893-R895 PolarHBondContact O-N 3.42Å; L893-R895 VanDerWaalsContact O-N 3.1Å; R895-I1036 HydrophobicContact CB-CG2 4.02Å; R895-I1036 WeakPolarHBondContact O-CG2 3.44Å; R895-G1040 PolarHBondContact NH1-O 3.02Å; R895-G1040 PolarHBondContact NH2-O 3.31Å; R895-E1041 IonicContact NH2-OE1 3.65Å; R895-E1041 PolarHBondContact NH2-OE1 2.9Å; R895-E1041 IonicContact NH2-OE2 2.94Å
896	S	70.5	Confident	80.2	Confident	9 Å²	9	61 Å²	61	6%	0.063	30%	0.303	C	S	.	.	H	α-helix	trans	-86.1	-2.3	-175.7	71.4	0	0	0	0	115.4	L892 L893 S898 C1031	L892-S896 PolarHBondContact O-N 3.04Å; L892-S896 VanDerWaalsContact O-N 3.09Å; L893-S896 CarbonylContact O-C 3.51Å; L893-S896 PolarHBondContact O-N 3.09Å; L893-S896 PolarHBondContact O-OG 2.79Å; S896-S898 VanDerWaalsContact C-N 3.27Å; S896-S898 PolarHBondContact O-N 3.36Å; S896-C1031 WeakPolarHBondContact CB-O 3.29Å; S896-C1031 PolarHBondContact OG-O 3.49Å
897	I	62.8	Low	79.9	Confident	36 Å²	36	61.3 Å²	61.3	19%	0.185	31%	0.305	C	S	.	.			trans	-64.6	89.2	175.3	-64.8	156.8	0	0	0	109.1	L893 Y904 L907	L893-I897 VanDerWaalsContact O-CG1 3.28Å; L893-I897 WeakPolarHBondContact O-CG1 3.35Å; L893-I897 PolarHBondContact O-N 2.86Å; I897-Y904 HydrophobicContact CD1-CE1 4.09Å; I897-Y904 HydrophobicContact CG2-CE2 3.81Å; I897-L907 HydrophobicContact CD1-CD1 4.33Å
898	S	57.9	Low	79.7	Confident	86 Å²	86	62 Å²	62	60%	0.601	31%	0.305	S	S	*	.			trans	-70.7	135.3	136.9	62.1	0	0	0	0	106.5	S896 T900	S896-S898 VanDerWaalsContact C-N 3.27Å; S896-S898 PolarHBondContact O-N 3.36Å; S898-T900 PolarHBondContact O-N 2.74Å; S898-T900 PolarHBondContact O-OG1 3.22Å
899	E	57.2	Low	79.6	Confident	184 Å²	184	63.7 Å²	63.7	86%	0.86	31%	0.312	S	S	*	.	S	Bend	trans	-55.5	61.1	-168.3	-64.4	169.1	153.6	0	0	115.5
900	T	69.9	Low	79.7	Confident	61 Å²	61	63.7 Å²	63.7	37%	0.374	31%	0.312	S	S	.	.			trans	-105.5	120.7	177.7	58	0	0	0	0	108.2	S898 K902 C903	S898-T900 PolarHBondContact O-N 2.74Å; S898-T900 PolarHBondContact O-OG1 3.22Å; T900-K902 PolarHBondContact O-N 3.33Å; T900-C903 PolarHBondContact O-N 3.04Å; T900-C903 PolarHBondContact OG1-SG 3.07Å
901	M	78.2	Confident	79.8	Confident	135 Å²	135	64.8 Å²	64.8	67%	0.665	32%	0.323	S	S	*	.	H	α-helix	trans	-47.4	-32.6	176.5	-76	-66.9	-66.8	0	0	112.9	C903 Y904 H905	M901-C903 PolarHBondContact O-N 3.41Å; M901-Y904 PolarHBondContact O-N 3.14Å; M901-H905 PolarHBondContact O-CD2 2.97Å; M901-H905 PolarHBondContact O-N 3.39Å; M901-H905 VanDerWaalsContact O-N 3.11Å
902	K	79.9	Confident	80	Confident	145 Å²	145	64.6 Å²	64.6	63%	0.63	33%	0.331	S	S	*	.	H	α-helix	trans	-60.9	-40.7	177.8	-66.5	-175	179	-178.1	0	113.2	T900 H905 L906	T900-K902 PolarHBondContact O-N 3.33Å; K902-H905 PolarHBondContact O-N 2.87Å; K902-L906 PolarHBondContact O-N 3.44Å
903	C	80.7	Confident	80.5	Confident	5 Å²	5	64.3 Å²	64.3	3%	0.034	33%	0.329	C	S	.	.	H	α-helix	trans	-75.4	-30.4	-178.2	-57.3	0	0	0	0	112.8	T900 M901 L906 L907 C1031	T900-C903 PolarHBondContact O-N 3.04Å; T900-C903 PolarHBondContact OG1-SG 3.07Å; M901-C903 PolarHBondContact O-N 3.41Å; C903-L906 PolarHBondContact O-N 2.98Å; C903-L907 WeakPolarHBondContact O-CB 3.44Å; C903-L907 PolarHBondContact O-N 3.37Å; C903-C1031 WeakPolarHBondContact CA-SG 3.47Å; C903-C1031 HydrophobicContact CB-CB 3.9Å; C903-C1031 WeakPolarHBondContact CB-SG 2.9Å; C903-C1031 WeakPolarHBondContact SG-CA 3.49Å; C903-C1031 WeakPolarHBondContact SG-CB 3.16Å; C903-C1031 CovalentContact SG-SG 2.05Å; C903-C1031 PolarHBondContact SG-SG 3.12Å
904	Y	83.9	Confident	80.8	Confident	113 Å²	113	71.2 Å²	71.2	44%	0.443	36%	0.359	S	S	.	.	H	α-helix	trans	-64.2	-42.1	167.8	-76.1	-71.4	0	0	0	112.3	I897 M901 L906 L907 N908	I897-Y904 HydrophobicContact CD1-CE1 4.09Å; I897-Y904 HydrophobicContact CG2-CE2 3.81Å; M901-Y904 PolarHBondContact O-N 3.14Å; Y904-L906 VanDerWaalsContact C-N 3.31Å; Y904-L906 PolarHBondContact O-N 3.12Å; Y904-L907 PolarHBondContact O-N 3.24Å; Y904-N908 PolarHBondContact O-N 3.37Å
905	H	86.2	Confident	81.1	Confident	120 Å²	120	67.9 Å²	67.9	56%	0.556	34%	0.341	S	S	*	.	H	α-helix	trans	-61.4	-40.1	173.4	-73.8	-61.4	0	0	0	112.1	M901 K902 N908 K909	M901-H905 PolarHBondContact O-CD2 2.97Å; M901-H905 PolarHBondContact O-N 3.39Å; M901-H905 VanDerWaalsContact O-N 3.11Å; K902-H905 PolarHBondContact O-N 2.87Å; H905-N908 PolarHBondContact O-N 3.37Å; H905-K909 VanDerWaalsContact O-CB 3.3Å; H905-K909 WeakPolarHBondContact O-CB 3.5Å; H905-K909 PolarHBondContact O-N 3.28Å
906	L	86.8	Confident	81.5	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-65.9	-40	176.5	-179	58.3	0	0	0	112.3	L893 K902 C903 Y904 K909 I910 L1025 F1026 D1029 C1031	L893-L906 HydrophobicContact CD1-CG 4.25Å; L893-L906 HydrophobicContact CD2-CD2 4.17Å; K902-L906 PolarHBondContact O-N 3.44Å; C903-L906 PolarHBondContact O-N 2.98Å; Y904-L906 VanDerWaalsContact C-N 3.31Å; Y904-L906 PolarHBondContact O-N 3.12Å; L906-K909 WeakPolarHBondContact O-CB 3.46Å; L906-K909 PolarHBondContact O-N 3.28Å; L906-I910 HydrophobicContact CD1-CD1 3.99Å; L906-I910 HydrophobicContact CD1-CG1 4.24Å; L906-I910 HydrophobicContact CG-CD1 3.98Å; L906-I910 WeakPolarHBondContact O-CG1 3.45Å; L906-I910 PolarHBondContact O-N 3.16Å; L906-L1025 HydrophobicContact CD1-CB 3.65Å; L906-L1025 HydrophobicContact CD1-CD1 4.34Å; L906-F1026 HydrophobicContact CD2-CD1 3.55Å; L906-F1026 HydrophobicContact CD2-CE1 3.88Å; L906-F1026 HydrophobicContact CG-CE1 4.5Å; L906-D1029 HydrophobicContact CD2-CB 4.25Å; L906-C1031 HydrophobicContact CD2-CB 3.84Å
907	L	88.2	Confident	82.1	Confident	25 Å²	25	69.6 Å²	69.6	13%	0.131	35%	0.351	C	S	.	.	H	α-helix	trans	-61.5	-45.4	175.2	-174	143.6	0	0	0	111.8	I890 L893 N894 I897 C903 Y904 K909 I910 S911	I890-L907 HydrophobicContact CG2-CD1 4.26Å; I890-L907 HydrophobicContact CG2-CG 4.49Å; L893-L907 HydrophobicContact CB-CD1 4.28Å; L893-L907 HydrophobicContact CD1-CB 4.09Å; N894-L907 WeakPolarHBondContact OD1-CD1 2.9Å; I897-L907 HydrophobicContact CD1-CD1 4.33Å; C903-L907 WeakPolarHBondContact O-CB 3.44Å; C903-L907 PolarHBondContact O-N 3.37Å; Y904-L907 PolarHBondContact O-N 3.24Å; L907-K909 VanDerWaalsContact C-N 3.28Å; L907-K909 PolarHBondContact O-N 3.42Å; L907-I910 PolarHBondContact O-N 2.87Å; L907-S911 WeakPolarHBondContact O-CB 3.5Å; L907-S911 PolarHBondContact O-N 3.09Å; L907-S911 PolarHBondContact O-OG 2.83Å
908	N	88.6	Confident	82.6	Confident	95 Å²	95	69.4 Å²	69.4	51%	0.508	35%	0.35	S	S	.	.	H	α-helix	trans	-64.3	-34.6	174.8	-72.6	-12.1	0	0	0	111.8	Y904 H905 S911 S912	Y904-N908 PolarHBondContact O-N 3.37Å; H905-N908 PolarHBondContact O-N 3.37Å; N908-S911 WeakPolarHBondContact CA-OG 3.31Å; N908-S911 PolarHBondContact O-OG 3.1Å; N908-S911 VanDerWaalsContact O-OG 3.04Å; N908-S912 VanDerWaalsContact O-CB 3.26Å; N908-S912 WeakPolarHBondContact O-CB 3.38Å; N908-S912 PolarHBondContact O-N 2.94Å; N908-S912 PolarHBondContact O-OG 3.47Å
909	K	89.6	Confident	82.9	Confident	45 Å²	45	67.3 Å²	67.3	20%	0.196	34%	0.335	C	S	.	.	H	α-helix	trans	-68.3	-45.6	176.6	-172.9	171.7	-179	169.6	0	111.9	H905 L906 L907 S912 M913 Y980 N985	H905-K909 VanDerWaalsContact O-CB 3.3Å; H905-K909 WeakPolarHBondContact O-CB 3.5Å; H905-K909 PolarHBondContact O-N 3.28Å; L906-K909 WeakPolarHBondContact O-CB 3.46Å; L906-K909 PolarHBondContact O-N 3.28Å; L907-K909 VanDerWaalsContact C-N 3.28Å; L907-K909 PolarHBondContact O-N 3.42Å; K909-S912 PolarHBondContact O-N 3.25Å; K909-S912 PolarHBondContact O-OG 3.24Å; K909-M913 PolarHBondContact O-N 2.97Å; K909-Y980 WeakPolarHBondContact CE-OH 3.34Å; K909-N985 PolarHBondContact O-ND2 3.03Å; K909-N985 PolarHBondContact O-OD1 3.24Å
910	I	90.8	Very high	82.7	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.2	-43.6	178	-73.9	164.7	0	0	0	110.9	Q886 M889 I890 L893 L906 L907 M913 F1026	Q886-I910 HydrophobicContact CB-CG2 4.38Å; Q886-I910 HydrophobicContact CG-CG2 4.17Å; Q886-I910 PolarHBondContact NE2-O 3.27Å; M889-I910 HydrophobicContact CB-CG2 4.39Å; M889-I910 HydrophobicContact CE-CB 4.32Å; M889-I910 HydrophobicContact CE-CD1 3.85Å; M889-I910 HydrophobicContact CE-CG1 3.87Å; M889-I910 HydrophobicContact CE-CG2 3.48Å; M889-I910 VanDerWaalsContact CE-CG2 3.48Å; I890-I910 HydrophobicContact CD1-CG2 4.23Å; I890-I910 HydrophobicContact CG1-CG2 3.86Å; L893-I910 HydrophobicContact CD1-CD1 3.59Å; L906-I910 HydrophobicContact CD1-CD1 3.99Å; L906-I910 HydrophobicContact CD1-CG1 4.24Å; L906-I910 HydrophobicContact CG-CD1 3.98Å; L906-I910 WeakPolarHBondContact O-CG1 3.45Å; L906-I910 PolarHBondContact O-N 3.16Å; L907-I910 PolarHBondContact O-N 2.87Å; I910-M913 WeakPolarHBondContact O-CB 3.47Å; I910-M913 PolarHBondContact O-N 2.85Å; I910-F1026 HydrophobicContact CD1-CE1 3.69Å; I910-F1026 HydrophobicContact CD1-CZ 3.71Å
911	S	91.5	Very high	82.1	Confident	61 Å²	61	61.8 Å²	61.8	43%	0.427	31%	0.306	S	S	.	.	H	α-helix	trans	-69	-32.7	179.6	53.2	0	0	0	0	113.8	L907 N908 M913	L907-S911 WeakPolarHBondContact O-CB 3.5Å; L907-S911 PolarHBondContact O-N 3.09Å; L907-S911 PolarHBondContact O-OG 2.83Å; N908-S911 WeakPolarHBondContact CA-OG 3.31Å; N908-S911 PolarHBondContact O-OG 3.1Å; N908-S911 VanDerWaalsContact O-OG 3.04Å; S911-M913 VanDerWaalsContact C-N 3.33Å
912	S	91.9	Very high	81.1	Confident	66 Å²	66	57.1 Å²	57.1	46%	0.462	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	3	178.5	61.5	0	0	0	0	114.5	N908 K909 K914 N985	N908-S912 VanDerWaalsContact O-CB 3.26Å; N908-S912 WeakPolarHBondContact O-CB 3.38Å; N908-S912 PolarHBondContact O-N 2.94Å; N908-S912 PolarHBondContact O-OG 3.47Å; K909-S912 PolarHBondContact O-N 3.25Å; K909-S912 PolarHBondContact O-OG 3.24Å; S912-K914 PolarHBondContact O-N 3.28Å; S912-N985 PolarHBondContact OG-ND2 3.41Å
913	M	92	Very high	80.1	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.025	28%	0.282	C	S	.	.			trans	-65.6	133.8	-178.6	-172.4	173.7	-59.2	0	0	111.5	L882 Q886 K909 I910 S911 Y980 N985 L1022 L1025	L882-M913 HydrophobicContact CD1-SD 4.31Å; Q886-M913 PolarHBondContact NE2-O 2.96Å; K909-M913 PolarHBondContact O-N 2.97Å; I910-M913 WeakPolarHBondContact O-CB 3.47Å; I910-M913 PolarHBondContact O-N 2.85Å; S911-M913 VanDerWaalsContact C-N 3.33Å; M913-Y980 HydrophobicContact CE-CD2 3.81Å; M913-Y980 HydrophobicContact CE-CE2 3.18Å; M913-Y980 HydrophobicContact CG-CE2 4.06Å; M913-Y980 HydrophobicContact SD-CD2 3.86Å; M913-Y980 HydrophobicContact SD-CE2 3.71Å; M913-N985 PolarHBondContact N-ND2 2.92Å; M913-L1022 HydrophobicContact CE-CD1 4.5Å; M913-L1022 HydrophobicContact CE-CD2 3.15Å; M913-L1022 HydrophobicContact CE-CG 4.43Å; M913-L1022 HydrophobicContact SD-CD1 4.21Å; M913-L1022 HydrophobicContact SD-CD2 3.47Å; M913-L1022 WeakPolarHBondContact SD-CD2 3.33Å; M913-L1022 HydrophobicContact SD-CG 4.46Å; M913-L1025 HydrophobicContact CE-CD1 4.26Å
914	K	90.1	Very high	79.3	Confident	146 Å²	146	61.8 Å²	61.8	64%	0.635	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	159.4	-179.2	-64.4	-178.6	-177.8	178.4	0	111.6	S912 N985 I986 L987	S912-K914 PolarHBondContact O-N 3.28Å; K914-N985 PolarHBondContact N-O 2.85Å; K914-I986 CarbonylContact O-C 3.46Å; K914-I986 WeakPolarHBondContact O-CA 3.35Å; K914-L987 PolarHBondContact O-N 3.49Å
915	I	90.3	Very high	78.5	Confident	25 Å²	25	59.4 Å²	59.4	13%	0.128	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.1	171.6	-66.8	156.8	0	0	0	109.7	I874 F877 H878 L882 L987 I989	I874-I915 HydrophobicContact CG2-CG2 4.09Å; F877-I915 HydrophobicContact CD1-CD1 3.71Å; F877-I915 HydrophobicContact CE1-CD1 4.25Å; H878-I915 VanDerWaalsContact CA-CD1 3.48Å; H878-I915 HydrophobicContact CB-CD1 3.66Å; L882-I915 HydrophobicContact CB-CD1 3.68Å; L882-I915 HydrophobicContact CD2-CD1 3.49Å; L882-I915 VanDerWaalsContact CD2-CD1 3.49Å; L882-I915 HydrophobicContact CD2-CG1 3.62Å; L882-I915 HydrophobicContact CG-CD1 4.2Å; I915-L987 WeakPolarHBondContact CA-O 3.44Å; I915-L987 HydrophobicContact CG1-CB 4.32Å; I915-L987 HydrophobicContact CG1-CD2 4.3Å; I915-I989 HydrophobicContact CG2-CD1 3.88Å; I915-I989 HydrophobicContact CG2-CG1 4Å; I915-I989 HydrophobicContact CG2-CG2 4.18Å
916	Q	85.6	Confident	77.6	Confident	93 Å²	93	54.4 Å²	54.4	44%	0.435	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	150.9	172.5	-169.6	178	-36.3	0	0	110	I986 L987 E988 I989	Q916-I986 HydrophobicContact CB-CG2 3.51Å; Q916-L987 PolarHBondContact N-O 2.84Å; Q916-E988 CarbonylContact O-C 3.35Å; Q916-E988 VanDerWaalsContact O-CA 3.24Å; Q916-E988 WeakPolarHBondContact O-CA 3.3Å; Q916-I989 PolarHBondContact O-N 3.17Å
917	L	81.1	Confident	77	Confident	14 Å²	14	60.1 Å²	60.1	7%	0.073	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	137.5	168.1	-167.5	81.3	0	0	0	110.1	L870 I874 S919 H920 I989 L991 L994	L870-L917 HydrophobicContact CD1-CD1 4.09Å; L870-L917 HydrophobicContact CD1-CD2 3.87Å; L870-L917 HydrophobicContact CD2-CD2 3.94Å; L870-L917 HydrophobicContact CG-CD2 4.48Å; I874-L917 HydrophobicContact CD1-CB 4.33Å; L917-S919 PolarHBondContact O-N 2.94Å; L917-H920 HydrophobicContact CD2-CB 4.42Å; L917-I989 CarbonylContact C-O 3.59Å; L917-I989 WeakPolarHBondContact CA-O 3.33Å; L917-I989 HydrophobicContact CD1-CG1 4.37Å; L917-I989 WeakPolarHBondContact CD1-O 3.26Å; L917-L991 HydrophobicContact CD1-CD1 4.12Å; L917-L991 HydrophobicContact CD2-CD1 4.25Å; L917-L994 HydrophobicContact CD1-CD1 4.32Å
918	M	73.4	Confident	76.4	Confident	33 Å²	33	63.9 Å²	63.9	16%	0.163	34%	0.337	C	S	.	.	S	Bend	trans	-55	125.6	168.3	-67.3	171.9	75.8	0	0	109.8	H920 E988 I989	M918-H920 PolarHBondContact O-N 2.9Å; M918-E988 HydrophobicContact CG-CB 3.75Å; M918-I989 WeakPolarHBondContact CG-O 3.36Å; M918-I989 PolarHBondContact N-O 2.86Å
919	S	64.1	Low	75.8	Confident	41 Å²	41	59.4 Å²	59.4	29%	0.287	31%	0.313	S	S	.	.			trans	-3.9	105.6	-172.6	-162	0	0	0	0	116.8	L917 N921 P966	L917-S919 PolarHBondContact O-N 2.94Å; S919-N921 PolarHBondContact OG-OD1 3.18Å; S919-P966 VanDerWaalsContact CB-CG 3.41Å
920	H	54.8	Low	75.2	Confident	104 Å²	104	59.3 Å²	59.3	48%	0.481	31%	0.311	S	S	.	.			trans	-90.2	109.9	162.5	-175.7	68.8	0	0	0	108.6	L917 M918	L917-H920 HydrophobicContact CD2-CB 4.42Å; M918-H920 PolarHBondContact O-N 2.9Å
921	N	56.6	Low	74.8	Confident	26 Å²	26	63.1 Å²	63.1	14%	0.139	34%	0.338	C	S	.	.			trans	-89.3	135.7	165.4	-72.4	7.4	0	0	0	109.4	S919 T925 K963 L964	S919-N921 PolarHBondContact OG-OD1 3.18Å; N921-T925 WeakPolarHBondContact CB-OG1 3.49Å; N921-K963 PolarHBondContact ND2-O 2.82Å; N921-K963 PolarHBondContact OD1-O 2.89Å; N921-L964 VanDerWaalsContact ND2-CA 3.33Å; N921-L964 WeakPolarHBondContact ND2-CA 3.45Å; N921-L964 PolarHBondContact ND2-N 3.19Å
922	G	56.3	Low	74.2	Confident	37 Å²	37	64.6 Å²	64.6	38%	0.381	34%	0.338	S	S	.	.			trans	-62	150.7	177.3	0	0	0	0	0	112.1	E924 T925	G922-E924 PolarHBondContact O-N 2.99Å; G922-E924 VanDerWaalsContact O-N 3.1Å; G922-T925 PolarHBondContact O-N 3.29Å; G922-T925 PolarHBondContact O-OG1 2.95Å
923	H	58.7	Low	73.7	Confident	89 Å²	89	63.4 Å²	63.4	41%	0.412	33%	0.327	S	S	.	.	H	α-helix	trans	-50.1	-36.9	-178.6	-163.6	-83.5	0	0	0	113.3	T925 M926 E927	H923-T925 VanDerWaalsContact C-N 3.34Å; H923-T925 PolarHBondContact O-N 3.11Å; H923-M926 VanDerWaalsContact O-CB 3.28Å; H923-M926 WeakPolarHBondContact O-CB 3.19Å; H923-M926 PolarHBondContact O-N 3.06Å; H923-E927 IonicContact CE1-OE1 3.2Å; H923-E927 PolarHBondContact CE1-OE1 3.24Å; H923-E927 IonicContact ND1-OE1 2.96Å; H923-E927 PolarHBondContact ND1-OE1 3.3Å; H923-E927 VanDerWaalsContact ND1-OE1 3.13Å; H923-E927 PolarHBondContact O-N 2.83Å
924	E	64.3	Low	73.2	Confident	159 Å²	159	70.7 Å²	70.7	74%	0.743	36%	0.358	S	S	*	.	H	α-helix	trans	-56.6	-45.1	178.7	-65	176.2	179.8	0	0	112.2	G922 M926 E927 D928	G922-E924 PolarHBondContact O-N 2.99Å; G922-E924 VanDerWaalsContact O-N 3.1Å; E924-M926 PolarHBondContact O-N 3.39Å; E924-M926 VanDerWaalsContact O-N 3.13Å; E924-E927 PolarHBondContact O-N 3.35Å; E924-D928 PolarHBondContact O-N 3.45Å; E924-D928 VanDerWaalsContact O-N 3.14Å
925	T	67.1	Low	72.6	Confident	62 Å²	62	67.4 Å²	67.4	38%	0.38	35%	0.347	S	S	.	.	H	α-helix	trans	-65.3	-20.6	179.6	65.6	0	0	0	0	113.3	N921 G922 H923 F929	N921-T925 WeakPolarHBondContact CB-OG1 3.49Å; G922-T925 PolarHBondContact O-N 3.29Å; G922-T925 PolarHBondContact O-OG1 2.95Å; H923-T925 VanDerWaalsContact C-N 3.34Å; H923-T925 PolarHBondContact O-N 3.11Å; T925-F929 VanDerWaalsContact O-CB 3.3Å; T925-F929 WeakPolarHBondContact O-CB 3.45Å; T925-F929 PolarHBondContact O-N 3.38Å; T925-F929 VanDerWaalsContact O-N 3.14Å
926	M	68.1	Low	71.9	Confident	16 Å²	16	69.8 Å²	69.8	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-82.8	-44.3	-180	-169.4	61.5	64.1	0	0	112	Q859 I860 H923 E924 D928 F929 Y930 L964	Q859-M926 HydrophobicContact CB-CE 3.19Å; Q859-M926 HydrophobicContact CG-CE 4.02Å; I860-M926 HydrophobicContact CG1-CG 4.29Å; I860-M926 HydrophobicContact CG1-SD 4.45Å; H923-M926 VanDerWaalsContact O-CB 3.28Å; H923-M926 WeakPolarHBondContact O-CB 3.19Å; H923-M926 PolarHBondContact O-N 3.06Å; E924-M926 PolarHBondContact O-N 3.39Å; E924-M926 VanDerWaalsContact O-N 3.13Å; M926-D928 VanDerWaalsContact C-N 3.29Å; M926-F929 PolarHBondContact O-N 3.39Å; M926-Y930 HydrophobicContact CG-CD2 3.91Å; M926-Y930 HydrophobicContact CG-CE2 4.05Å; M926-Y930 WeakPolarHBondContact O-CD2 3.33Å; M926-Y930 PolarHBondContact O-N 3.25Å; M926-Y930 HydrophobicContact SD-CD2 3.63Å; M926-Y930 HydrophobicContact SD-CE2 3.29Å; M926-Y930 WeakPolarHBondContact SD-CE2 3.4Å; M926-L964 HydrophobicContact CE-CD1 3.8Å; M926-L964 HydrophobicContact CE-CD2 3.88Å; M926-L964 HydrophobicContact CE-CG 3.88Å; M926-L964 HydrophobicContact SD-CD1 3.91Å; M926-L964 HydrophobicContact SD-CD2 3.87Å; M926-L964 HydrophobicContact SD-CG 4.27Å
927	E	73.6	Confident	71.3	Confident	121 Å²	121	71 Å²	71	57%	0.565	38%	0.376	S	S	*	.	H	α-helix	trans	-60.6	-44.1	174.1	-73.4	-178.9	-168.7	0	0	110.1	H923 E924 F929 Y930 S931	H923-E927 IonicContact CE1-OE1 3.2Å; H923-E927 PolarHBondContact CE1-OE1 3.24Å; H923-E927 IonicContact ND1-OE1 2.96Å; H923-E927 PolarHBondContact ND1-OE1 3.3Å; H923-E927 VanDerWaalsContact ND1-OE1 3.13Å; H923-E927 PolarHBondContact O-N 2.83Å; E924-E927 PolarHBondContact O-N 3.35Å; E927-F929 VanDerWaalsContact C-N 3.35Å; E927-F929 PolarHBondContact O-N 2.66Å; E927-Y930 PolarHBondContact O-N 2.98Å; E927-S931 WeakPolarHBondContact O-CA 3.19Å; E927-S931 VanDerWaalsContact O-CB 3.31Å; E927-S931 WeakPolarHBondContact O-CB 3.47Å; E927-S931 PolarHBondContact O-N 3.43Å
928	D	76.1	Confident	71.1	Confident	103 Å²	103	81.7 Å²	81.7	55%	0.551	42%	0.415	S	S	*	.	H	α-helix	trans	-59.3	-45.2	174	-71.6	-18.3	0	0	0	111.7	E924 M926 Y930 S931	E924-D928 PolarHBondContact O-N 3.45Å; E924-D928 VanDerWaalsContact O-N 3.14Å; M926-D928 VanDerWaalsContact C-N 3.29Å; D928-Y930 PolarHBondContact O-N 3.03Å; D928-S931 WeakPolarHBondContact O-CB 3.49Å; D928-S931 PolarHBondContact O-N 2.75Å; D928-S931 PolarHBondContact O-OG 3.39Å
929	F	75.9	Confident	71.4	Confident	2 Å²	2	80.9 Å²	80.9	1%	0.009	41%	0.411	C	S	.	.	H	α-helix	trans	-60.5	-46.4	179.2	179.2	-98.3	0	0	0	112.3	T925 M926 E927 F951 K955 E960 L961 L964	T925-F929 VanDerWaalsContact O-CB 3.3Å; T925-F929 WeakPolarHBondContact O-CB 3.45Å; T925-F929 PolarHBondContact O-N 3.38Å; T925-F929 VanDerWaalsContact O-N 3.14Å; M926-F929 PolarHBondContact O-N 3.39Å; E927-F929 VanDerWaalsContact C-N 3.35Å; E927-F929 PolarHBondContact O-N 2.66Å; F929-F951 HydrophobicContact CD1-CE1 4.5Å; F929-F951 HydrophobicContact CD1-CZ 4.1Å; F929-F951 AromaticContact CE1-CE1 3.77Å; F929-F951 HydrophobicContact CE1-CE1 3.77Å; F929-F951 AromaticContact CE1-CZ 3.75Å; F929-F951 HydrophobicContact CE1-CZ 3.75Å; F929-F951 HydrophobicContact CZ-CE1 4.08Å; F929-F951 HydrophobicContact CZ-CZ 4.07Å; F929-F951 WeakPolarHBondContact O-CZ 3.3Å; F929-K955 HydrophobicContact CD2-CD 4.23Å; F929-K955 HydrophobicContact CD2-CG 4.43Å; F929-K955 HydrophobicContact CE2-CB 3.87Å; F929-K955 HydrophobicContact CE2-CD 4Å; F929-K955 HydrophobicContact CE2-CG 3.78Å; F929-K955 HydrophobicContact CZ-CB 4.14Å; F929-K955 HydrophobicContact CZ-CG 4.05Å; F929-K955 WeakPolarHBondContact O-CE 3.22Å; F929-E960 HydrophobicContact CD2-CB 4.1Å; F929-L961 HydrophobicContact CE2-CB 4.23Å; F929-L961 HydrophobicContact CE2-CD1 3.93Å; F929-L961 HydrophobicContact CZ-CD1 3.71Å; F929-L964 HydrophobicContact CB-CD1 3.7Å; F929-L964 HydrophobicContact CD1-CD1 4.15Å; F929-L964 HydrophobicContact CD1-CD2 3.81Å; F929-L964 HydrophobicContact CD2-CD1 4.04Å; F929-L964 HydrophobicContact CD2-CD2 4.49Å; F929-L964 HydrophobicContact CE1-CD2 3.85Å; F929-L964 HydrophobicContact CG-CD1 3.7Å; F929-L964 HydrophobicContact CG-CD2 4.16Å; F929-L964 HydrophobicContact CG-CG 4.45Å; F929-L964 HydrophobicContact CZ-CD2 4.22Å
930	Y	78	Confident	72.3	Confident	42 Å²	42	80 Å²	80	17%	0.165	41%	0.405	C	S	.	.	H	α-helix	trans	-85.9	-7.7	-179.1	-74.5	-64.7	0	0	0	114.6	G856 I860 M926 E927 D928 E932 L933 F951	G856-Y930 WeakPolarHBondContact CA-OH 3.48Å; G856-Y930 PolarHBondContact N-OH 2.57Å; I860-Y930 HydrophobicContact CD1-CE2 4.18Å; M926-Y930 HydrophobicContact CG-CD2 3.91Å; M926-Y930 HydrophobicContact CG-CE2 4.05Å; M926-Y930 WeakPolarHBondContact O-CD2 3.33Å; M926-Y930 PolarHBondContact O-N 3.25Å; M926-Y930 HydrophobicContact SD-CD2 3.63Å; M926-Y930 HydrophobicContact SD-CE2 3.29Å; M926-Y930 WeakPolarHBondContact SD-CE2 3.4Å; E927-Y930 PolarHBondContact O-N 2.98Å; D928-Y930 PolarHBondContact O-N 3.03Å; Y930-E932 PolarHBondContact O-N 3.26Å; Y930-L933 HydrophobicContact CD1-CB 4.5Å; Y930-L933 HydrophobicContact CD1-CD2 3.85Å; Y930-L933 HydrophobicContact CE1-CD2 4.24Å; Y930-L933 WeakPolarHBondContact O-CB 3.04Å; Y930-L933 PolarHBondContact O-N 3.49Å; Y930-F951 HydrophobicContact CD1-CE1 4.04Å; Y930-F951 HydrophobicContact CD1-CZ 4.03Å; Y930-F951 HydrophobicContact CE1-CE1 4.07Å; Y930-F951 HydrophobicContact CE1-CZ 4.47Å
931	S	81.7	Confident	73.7	Confident	81 Å²	81	78.5 Å²	78.5	57%	0.566	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-30.4	-177.2	65.4	0	0	0	0	113.8	E927 D928	E927-S931 WeakPolarHBondContact O-CA 3.19Å; E927-S931 VanDerWaalsContact O-CB 3.31Å; E927-S931 WeakPolarHBondContact O-CB 3.47Å; E927-S931 PolarHBondContact O-N 3.43Å; D928-S931 WeakPolarHBondContact O-CB 3.49Å; D928-S931 PolarHBondContact O-N 2.75Å; D928-S931 PolarHBondContact O-OG 3.39Å
932	E	79.3	Confident	75	Confident	91 Å²	91	77.3 Å²	77.3	43%	0.425	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-16.9	-179.7	-59.5	-175.9	135.8	0	0	113.5	Y930 K934 F951 K955	Y930-E932 PolarHBondContact O-N 3.26Å; E932-K934 PolarHBondContact O-N 2.94Å; E932-F951 HydrophobicContact CB-CE2 4.36Å; E932-K955 WeakPolarHBondContact OE2-CE 3.49Å; E932-K955 IonicContact OE2-NZ 2.65Å; E932-K955 PolarHBondContact OE2-NZ 3.47Å
933	L	81.4	Confident	76.2	Confident	41 Å²	41	75.5 Å²	75.5	22%	0.215	38%	0.375	C	S	.	.			trans	-82.3	108.6	-177.7	-179.2	66.6	0	0	0	110.7	Y930 I935 F948 F951	Y930-L933 HydrophobicContact CD1-CB 4.5Å; Y930-L933 HydrophobicContact CD1-CD2 3.85Å; Y930-L933 HydrophobicContact CE1-CD2 4.24Å; Y930-L933 WeakPolarHBondContact O-CB 3.04Å; Y930-L933 PolarHBondContact O-N 3.49Å; L933-I935 HydrophobicContact CD1-CD1 4.1Å; L933-I935 HydrophobicContact CD1-CG1 3.92Å; L933-I935 HydrophobicContact CD2-CD1 3.95Å; L933-I935 HydrophobicContact CD2-CG1 4.43Å; L933-I935 HydrophobicContact CG-CD1 4.09Å; L933-I935 HydrophobicContact CG-CG1 4.01Å; L933-F948 HydrophobicContact CD1-CD2 4.29Å; L933-F948 HydrophobicContact CD2-CD2 3.96Å; L933-F948 HydrophobicContact CD2-CE2 4.1Å; L933-F951 HydrophobicContact CB-CD1 4.5Å; L933-F951 HydrophobicContact CB-CD2 3.95Å; L933-F951 HydrophobicContact CB-CE2 3.95Å; L933-F951 HydrophobicContact CB-CG 4.23Å; L933-F951 HydrophobicContact CB-CZ 4.24Å; L933-F951 HydrophobicContact CD1-CB 3.78Å; L933-F951 HydrophobicContact CD1-CD1 4.12Å; L933-F951 HydrophobicContact CD1-CD2 4.26Å; L933-F951 HydrophobicContact CD1-CG 3.79Å; L933-F951 HydrophobicContact CD2-CD1 4.38Å; L933-F951 HydrophobicContact CD2-CE1 4.47Å; L933-F951 HydrophobicContact CG-CG 4.46Å
934	K	80.4	Confident	77.4	Confident	159 Å²	159	73.8 Å²	73.8	69%	0.691	37%	0.368	S	S	*	.			trans	-111	91.3	177.4	-64.7	-179.6	-177.2	175.7	0	111.2	E932	E932-K934 PolarHBondContact O-N 2.94Å
935	I	77.2	Confident	78	Confident	77 Å²	77	66.9 Å²	66.9	40%	0.395	34%	0.335	S	S	.	.			trans	-93.9	126.9	174	-60.4	173.9	0	0	0	109.3	L933 Q944	L933-I935 HydrophobicContact CD1-CD1 4.1Å; L933-I935 HydrophobicContact CD1-CG1 3.92Å; L933-I935 HydrophobicContact CD2-CD1 3.95Å; L933-I935 HydrophobicContact CD2-CG1 4.43Å; L933-I935 HydrophobicContact CG-CD1 4.09Å; L933-I935 HydrophobicContact CG-CG1 4.01Å; I935-Q944 HydrophobicContact CG2-CB 4.23Å; I935-Q944 HydrophobicContact CG2-CG 3.81Å
936	Q	75.8	Confident	78.6	Confident	75 Å²	75	64.1 Å²	64.1	35%	0.35	32%	0.319	S	S	.	.			trans	-94.5	136.9	175.8	-63.1	177.7	-16.8	0	0	110.9	R938 Q939	Q936-R938 PolarHBondContact O-N 3.2Å; Q936-Q939 HydrophobicContact CB-CG 3.99Å; Q936-Q939 PolarHBondContact O-N 3.45Å
937	S	73.6	Confident	79.1	Confident	118 Å²	118	64.9 Å²	64.9	83%	0.825	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.8	-177.6	57.2	0	0	0	0	115.3
938	R	77	Confident	79.2	Confident	239 Å²	239	59.4 Å²	59.4	90%	0.902	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-3.7	-178.3	-66.6	-174.5	179.2	178.5	-0.3	114.4	Q936	Q936-R938 PolarHBondContact O-N 3.2Å
939	Q	79.1	Confident	79.2	Confident	16 Å²	16	54.5 Å²	54.5	8%	0.075	27%	0.27	C	S	.	.	S	Bend	trans	-82.6	152.3	-177.8	-68.4	176.1	-1.6	0	0	111.4	Q936 M943 Q944 Q947	Q936-Q939 HydrophobicContact CB-CG 3.99Å; Q936-Q939 PolarHBondContact O-N 3.45Å; Q939-M943 HydrophobicContact CB-CB 4.42Å; Q939-Q944 HydrophobicContact CB-CG 4.12Å; Q939-Q944 PolarHBondContact O-NE2 2.88Å; Q939-Q947 VanDerWaalsContact OE1-CD 3.3Å; Q939-Q947 VanDerWaalsContact OE1-OE1 3.07Å
940	S	83.4	Confident	79.2	Confident	22 Å²	22	55.4 Å²	55.4	15%	0.154	28%	0.275	C	S	.	.			trans	-59.2	152.4	173	67.4	0	0	0	0	111	Q570 L942 M943 Q944	Q570-S940 PolarHBondContact NE2-OG 3.04Å; Q570-S940 PolarHBondContact OE1-OG 2.85Å; S940-L942 PolarHBondContact O-N 3.42Å; S940-M943 PolarHBondContact O-N 3.39Å; S940-M943 VanDerWaalsContact O-N 3.11Å; S940-M943 WeakPolarHBondContact OG-CB 3.43Å; S940-M943 PolarHBondContact OG-N 3.49Å; S940-Q944 WeakPolarHBondContact O-CG 3.47Å; S940-Q944 PolarHBondContact O-N 2.94Å; S940-Q944 VanDerWaalsContact O-N 3.09Å
941	L	83.1	Confident	79.1	Confident	73 Å²	73	53.9 Å²	53.9	38%	0.382	27%	0.269	S	S	.	.	H	α-helix	trans	-54.3	-46	175.3	177.8	62.4	0	0	0	110.4	Y818 M943 Q944 L945	Y818-L941 HydrophobicContact CD1-CD2 3.79Å; Y818-L941 HydrophobicContact CD1-CG 4.43Å; Y818-L941 HydrophobicContact CE1-CD2 4.42Å; L941-M943 VanDerWaalsContact C-N 3.29Å; L941-M943 PolarHBondContact O-N 2.75Å; L941-Q944 WeakPolarHBondContact O-CB 3.36Å; L941-Q944 PolarHBondContact O-N 3.39Å; L941-Q944 VanDerWaalsContact O-N 3.17Å; L941-L945 HydrophobicContact CD1-CD2 4.02Å; L941-L945 HydrophobicContact CD1-CG 4.21Å; L941-L945 HydrophobicContact CG-CD1 4.41Å; L941-L945 HydrophobicContact CG-CG 4.32Å; L941-L945 VanDerWaalsContact O-CG 3.29Å; L941-L945 WeakPolarHBondContact O-CG 3.09Å; L941-L945 PolarHBondContact O-N 3.45Å
942	L	84	Confident	78.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-50.6	-48.6	177.1	176.3	63.6	0	0	0	112.2	Q570 L571 L574 Y815 V819 S940 L945 V946	Q570-L942 HydrophobicContact CB-CD2 3.91Å; L571-L942 HydrophobicContact CB-CD2 4.33Å; L574-L942 HydrophobicContact CD1-CD1 3.87Å; L574-L942 HydrophobicContact CD1-CD2 4.05Å; L574-L942 HydrophobicContact CD1-CG 4.11Å; Y815-L942 HydrophobicContact CD1-CD1 3.67Å; Y815-L942 HydrophobicContact CD2-CD1 4.46Å; Y815-L942 HydrophobicContact CE1-CD1 4.48Å; Y815-L942 HydrophobicContact CG-CD1 3.69Å; V819-L942 HydrophobicContact CG2-CD2 3.76Å; S940-L942 PolarHBondContact O-N 3.42Å; L942-L945 PolarHBondContact O-N 3.3Å; L942-V946 HydrophobicContact CD1-CG2 4.35Å; L942-V946 VanDerWaalsContact O-CG2 3.28Å; L942-V946 WeakPolarHBondContact O-CG2 3.02Å; L942-V946 PolarHBondContact O-N 2.95Å
943	M	82.9	Confident	78.4	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.6	-39.6	-177.4	-170.5	53	46.2	0	0	112.2	M559 L562 Q570 Q939 S940 L941 L945 V946 Q947	M559-M943 HydrophobicContact SD-SD 3.72Å; L562-M943 HydrophobicContact CB-CE 3.73Å; L562-M943 HydrophobicContact CB-SD 4.31Å; L562-M943 HydrophobicContact CD1-CE 4.03Å; L562-M943 HydrophobicContact CD1-SD 4.48Å; L562-M943 HydrophobicContact CD2-CE 3.8Å; L562-M943 HydrophobicContact CG-CE 4.09Å; Q570-M943 HydrophobicContact CB-CE 4.33Å; Q570-M943 HydrophobicContact CG-CE 4.2Å; Q939-M943 HydrophobicContact CB-CB 4.42Å; S940-M943 PolarHBondContact O-N 3.39Å; S940-M943 VanDerWaalsContact O-N 3.11Å; S940-M943 WeakPolarHBondContact OG-CB 3.43Å; S940-M943 PolarHBondContact OG-N 3.49Å; L941-M943 VanDerWaalsContact C-N 3.29Å; L941-M943 PolarHBondContact O-N 2.75Å; M943-L945 VanDerWaalsContact C-N 3.28Å; M943-L945 PolarHBondContact O-N 3.43Å; M943-V946 PolarHBondContact O-N 3.49Å; M943-Q947 WeakPolarHBondContact O-CG 3.24Å; M943-Q947 PolarHBondContact O-N 2.81Å
944	Q	82.8	Confident	78	Confident	53 Å²	53	46.5 Å²	46.5	25%	0.248	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-42.3	174	-61.7	178.3	21.1	0	0	110.7	I935 Q939 S940 L941 Q947 F948	I935-Q944 HydrophobicContact CG2-CB 4.23Å; I935-Q944 HydrophobicContact CG2-CG 3.81Å; Q939-Q944 HydrophobicContact CB-CG 4.12Å; Q939-Q944 PolarHBondContact O-NE2 2.88Å; S940-Q944 WeakPolarHBondContact O-CG 3.47Å; S940-Q944 PolarHBondContact O-N 2.94Å; S940-Q944 VanDerWaalsContact O-N 3.09Å; L941-Q944 WeakPolarHBondContact O-CB 3.36Å; L941-Q944 PolarHBondContact O-N 3.39Å; L941-Q944 VanDerWaalsContact O-N 3.17Å; Q944-Q947 PolarHBondContact O-N 3.41Å; Q944-F948 WeakPolarHBondContact O-CB 3.44Å; Q944-F948 PolarHBondContact O-N 3Å
945	L	77.7	Confident	77.6	Confident	13 Å²	13	39.4 Å²	39.4	7%	0.068	19%	0.194	C	C	.	.	H	α-helix	trans	-66.8	-39.5	177.6	-60	-166.4	0	0	0	112.8	Y818 L852 L941 L942 M943 F948 N949	Y818-L945 HydrophobicContact CD1-CD1 3.97Å; Y818-L945 HydrophobicContact CD2-CD1 3.75Å; Y818-L945 HydrophobicContact CE1-CD1 3.61Å; Y818-L945 HydrophobicContact CE2-CD1 3.4Å; Y818-L945 HydrophobicContact CG-CD1 4.02Å; L852-L945 HydrophobicContact CD2-CD1 4.31Å; L852-L945 HydrophobicContact CD2-CD2 3.28Å; L852-L945 HydrophobicContact CD2-CG 4.19Å; L941-L945 HydrophobicContact CD1-CD2 4.02Å; L941-L945 HydrophobicContact CD1-CG 4.21Å; L941-L945 HydrophobicContact CG-CD1 4.41Å; L941-L945 HydrophobicContact CG-CG 4.32Å; L941-L945 VanDerWaalsContact O-CG 3.29Å; L941-L945 WeakPolarHBondContact O-CG 3.09Å; L941-L945 PolarHBondContact O-N 3.45Å; L942-L945 PolarHBondContact O-N 3.3Å; M943-L945 VanDerWaalsContact C-N 3.28Å; M943-L945 PolarHBondContact O-N 3.43Å; L945-F948 PolarHBondContact O-N 2.87Å; L945-N949 WeakPolarHBondContact O-CB 3.21Å; L945-N949 PolarHBondContact O-N 3.02Å; L945-N949 PolarHBondContact O-ND2 3.29Å
946	V	78.5	Confident	77	Confident	5 Å²	5	36 Å²	36	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-64.5	-47.5	177	169.9	0	0	0	0	110.6	L574 Y815 L942 M943 F948 N949 N950	L574-V946 HydrophobicContact CD1-CG2 3.63Å; L574-V946 HydrophobicContact CD2-CB 4.43Å; L574-V946 HydrophobicContact CD2-CG1 3.85Å; L574-V946 HydrophobicContact CD2-CG2 3.7Å; L574-V946 HydrophobicContact CG-CG2 4.29Å; Y815-V946 HydrophobicContact CE1-CG2 4.12Å; Y815-V946 HydrophobicContact CE2-CG2 4.16Å; L942-V946 HydrophobicContact CD1-CG2 4.35Å; L942-V946 VanDerWaalsContact O-CG2 3.28Å; L942-V946 WeakPolarHBondContact O-CG2 3.02Å; L942-V946 PolarHBondContact O-N 2.95Å; M943-V946 PolarHBondContact O-N 3.49Å; V946-F948 VanDerWaalsContact C-N 3.3Å; V946-F948 PolarHBondContact O-N 2.88Å; V946-N949 PolarHBondContact O-N 2.76Å; V946-N950 WeakPolarHBondContact O-CB 3.46Å; V946-N950 PolarHBondContact O-N 3.07Å; V946-N950 PolarHBondContact O-ND2 3.05Å
947	Q	78.8	Confident	76.4	Confident	32 Å²	32	34.9 Å²	34.9	15%	0.15	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-42.7	176.7	-74.4	174.3	7.2	0	0	111.5	Q939 M943 Q944 N950 F951	Q939-Q947 VanDerWaalsContact OE1-CD 3.3Å; Q939-Q947 VanDerWaalsContact OE1-OE1 3.07Å; M943-Q947 WeakPolarHBondContact O-CG 3.24Å; M943-Q947 PolarHBondContact O-N 2.81Å; Q944-Q947 PolarHBondContact O-N 3.41Å; Q947-N950 PolarHBondContact O-N 3.49Å; Q947-F951 WeakPolarHBondContact O-CB 3.12Å; Q947-F951 PolarHBondContact O-N 3.27Å
948	F	77.4	Confident	75.9	Confident	5 Å²	5	30.7 Å²	30.7	2%	0.022	15%	0.145	C	C	.	.	H	α-helix	trans	-62.2	-44.8	177.5	-174.6	-101.6	0	0	0	112.1	L852 P855 L933 Q944 L945 V946 N950 F951 L952	L852-F948 HydrophobicContact CD2-CD1 4.37Å; L852-F948 WeakPolarHBondContact O-CD1 3.26Å; L852-F948 WeakPolarHBondContact O-CE1 3.43Å; P855-F948 HydrophobicContact CG-CE1 4.26Å; P855-F948 HydrophobicContact CG-CZ 3.73Å; L933-F948 HydrophobicContact CD1-CD2 4.29Å; L933-F948 HydrophobicContact CD2-CD2 3.96Å; L933-F948 HydrophobicContact CD2-CE2 4.1Å; Q944-F948 WeakPolarHBondContact O-CB 3.44Å; Q944-F948 PolarHBondContact O-N 3Å; L945-F948 PolarHBondContact O-N 2.87Å; V946-F948 VanDerWaalsContact C-N 3.3Å; V946-F948 PolarHBondContact O-N 2.88Å; F948-N950 VanDerWaalsContact C-N 3.34Å; F948-N950 PolarHBondContact O-N 3.47Å; F948-F951 HydrophobicContact CE2-CD1 4.26Å; F948-F951 WeakPolarHBondContact O-CB 3.49Å; F948-F951 PolarHBondContact O-N 2.86Å; F948-L952 HydrophobicContact CD1-CD1 4.09Å; F948-L952 HydrophobicContact CD1-CG 4.46Å; F948-L952 HydrophobicContact CE1-CD1 3.35Å; F948-L952 HydrophobicContact CE1-CD2 4.43Å; F948-L952 HydrophobicContact CE1-CG 3.84Å; F948-L952 HydrophobicContact CZ-CD1 3.75Å; F948-L952 HydrophobicContact CZ-CD2 3.97Å; F948-L952 HydrophobicContact CZ-CG 3.81Å; F948-L952 PolarHBondContact O-N 2.68Å
949	N	74.4	Confident	75.2	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-63.9	-38.6	175.8	-70.5	-22.3	0	0	0	112.5	W605 K814 Y815 L945 V946 L952 S953	W605-N949 VanDerWaalsContact CH2-OD1 3.26Å; W605-N949 WeakPolarHBondContact CH2-OD1 3.43Å; W605-N949 WeakPolarHBondContact CZ2-OD1 3.41Å; K814-N949 WeakPolarHBondContact CE-ND2 3.38Å; Y815-N949 PolarHBondContact OH-ND2 3.19Å; L945-N949 WeakPolarHBondContact O-CB 3.21Å; L945-N949 PolarHBondContact O-N 3.02Å; L945-N949 PolarHBondContact O-ND2 3.29Å; V946-N949 PolarHBondContact O-N 2.76Å; N949-L952 PolarHBondContact O-N 2.89Å; N949-S953 WeakPolarHBondContact O-CB 3.47Å; N949-S953 PolarHBondContact O-N 3.2Å
950	N	76.2	Confident	74.1	Confident	20 Å²	20	25.2 Å²	25.2	11%	0.107	13%	0.133	C	C	.	.	H	α-helix	trans	-67.7	-37.1	175.3	-69.9	-17.3	0	0	0	111.8	V946 Q947 F948 S953 Q954	V946-N950 WeakPolarHBondContact O-CB 3.46Å; V946-N950 PolarHBondContact O-N 3.07Å; V946-N950 PolarHBondContact O-ND2 3.05Å; Q947-N950 PolarHBondContact O-N 3.49Å; F948-N950 VanDerWaalsContact C-N 3.34Å; F948-N950 PolarHBondContact O-N 3.47Å; N950-S953 WeakPolarHBondContact CA-OG 3.1Å; N950-S953 PolarHBondContact O-N 2.98Å; N950-S953 PolarHBondContact O-OG 3.41Å; N950-Q954 VanDerWaalsContact O-CG 3.24Å; N950-Q954 WeakPolarHBondContact O-CG 3.36Å; N950-Q954 PolarHBondContact O-N 3.17Å
951	F	76.9	Confident	72.8	Confident	11 Å²	11	24.2 Å²	24.2	5%	0.048	13%	0.126	C	C	.	.	H	α-helix	trans	-62.2	-47.2	173.3	163.3	-99.2	0	0	0	111	F929 Y930 E932 L933 Q947 F948 S953 Q954 K955	F929-F951 HydrophobicContact CD1-CE1 4.5Å; F929-F951 HydrophobicContact CD1-CZ 4.1Å; F929-F951 AromaticContact CE1-CE1 3.77Å; F929-F951 HydrophobicContact CE1-CE1 3.77Å; F929-F951 AromaticContact CE1-CZ 3.75Å; F929-F951 HydrophobicContact CE1-CZ 3.75Å; F929-F951 HydrophobicContact CZ-CE1 4.08Å; F929-F951 HydrophobicContact CZ-CZ 4.07Å; F929-F951 WeakPolarHBondContact O-CZ 3.3Å; Y930-F951 HydrophobicContact CD1-CE1 4.04Å; Y930-F951 HydrophobicContact CD1-CZ 4.03Å; Y930-F951 HydrophobicContact CE1-CE1 4.07Å; Y930-F951 HydrophobicContact CE1-CZ 4.47Å; E932-F951 HydrophobicContact CB-CE2 4.36Å; L933-F951 HydrophobicContact CB-CD1 4.5Å; L933-F951 HydrophobicContact CB-CD2 3.95Å; L933-F951 HydrophobicContact CB-CE2 3.95Å; L933-F951 HydrophobicContact CB-CG 4.23Å; L933-F951 HydrophobicContact CB-CZ 4.24Å; L933-F951 HydrophobicContact CD1-CB 3.78Å; L933-F951 HydrophobicContact CD1-CD1 4.12Å; L933-F951 HydrophobicContact CD1-CD2 4.26Å; L933-F951 HydrophobicContact CD1-CG 3.79Å; L933-F951 HydrophobicContact CD2-CD1 4.38Å; L933-F951 HydrophobicContact CD2-CE1 4.47Å; L933-F951 HydrophobicContact CG-CG 4.46Å; Q947-F951 WeakPolarHBondContact O-CB 3.12Å; Q947-F951 PolarHBondContact O-N 3.27Å; F948-F951 HydrophobicContact CE2-CD1 4.26Å; F948-F951 WeakPolarHBondContact O-CB 3.49Å; F948-F951 PolarHBondContact O-N 2.86Å; F951-S953 VanDerWaalsContact C-N 3.34Å; F951-S953 PolarHBondContact O-N 3.32Å; F951-Q954 PolarHBondContact O-N 3.14Å; F951-K955 HydrophobicContact CD2-CG 4.22Å; F951-K955 HydrophobicContact CE1-CG 4.31Å; F951-K955 HydrophobicContact CE2-CD 4.33Å; F951-K955 HydrophobicContact CE2-CG 3.72Å; F951-K955 HydrophobicContact CZ-CG 3.77Å; F951-K955 PolarHBondContact O-N 2.93Å
952	L	73.5	Confident	71.5	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-40.4	176.1	-70.4	-178.4	0	0	0	112.5	F601 P855 F948 N949 Q954 K955 A956	F601-L952 HydrophobicContact CZ-CD1 4.3Å; P855-L952 HydrophobicContact CG-CD1 4.07Å; P855-L952 HydrophobicContact CG-CD2 3.75Å; F948-L952 HydrophobicContact CD1-CD1 4.09Å; F948-L952 HydrophobicContact CD1-CG 4.46Å; F948-L952 HydrophobicContact CE1-CD1 3.35Å; F948-L952 HydrophobicContact CE1-CD2 4.43Å; F948-L952 HydrophobicContact CE1-CG 3.84Å; F948-L952 HydrophobicContact CZ-CD1 3.75Å; F948-L952 HydrophobicContact CZ-CD2 3.97Å; F948-L952 HydrophobicContact CZ-CG 3.81Å; F948-L952 PolarHBondContact O-N 2.68Å; N949-L952 PolarHBondContact O-N 2.89Å; L952-Q954 VanDerWaalsContact C-N 3.28Å; L952-Q954 PolarHBondContact O-N 3.01Å; L952-K955 PolarHBondContact O-N 3.29Å; L952-A956 PolarHBondContact O-N 3.45Å
953	S	72.3	Confident	70.1	Confident	4 Å²	4	27.5 Å²	27.5	3%	0.028	14%	0.14	C	C	.	.	H	α-helix	trans	-68	-27.8	178	78.1	0	0	0	0	112.7	L765 T766 N949 N950 F951 A956	L765-S953 WeakPolarHBondContact O-CB 3.5Å; L765-S953 PolarHBondContact O-OG 3.32Å; T766-S953 WeakPolarHBondContact CA-O 3.26Å; N949-S953 WeakPolarHBondContact O-CB 3.47Å; N949-S953 PolarHBondContact O-N 3.2Å; N950-S953 WeakPolarHBondContact CA-OG 3.1Å; N950-S953 PolarHBondContact O-N 2.98Å; N950-S953 PolarHBondContact O-OG 3.41Å; F951-S953 VanDerWaalsContact C-N 3.34Å; F951-S953 PolarHBondContact O-N 3.32Å; S953-A956 WeakPolarHBondContact O-CB 3.39Å
954	Q	72.9	Confident	68.7	Low	52 Å²	52	27.8 Å²	27.8	24%	0.243	14%	0.141	C	C	.	.	H	α-helix	trans	-75.2	-47.7	172.3	-72.2	169.1	21	0	0	111.7	N950 F951 L952 A956 I957	N950-Q954 VanDerWaalsContact O-CG 3.24Å; N950-Q954 WeakPolarHBondContact O-CG 3.36Å; N950-Q954 PolarHBondContact O-N 3.17Å; F951-Q954 PolarHBondContact O-N 3.14Å; L952-Q954 VanDerWaalsContact C-N 3.28Å; L952-Q954 PolarHBondContact O-N 3.01Å; Q954-A956 PolarHBondContact O-N 3.3Å; Q954-A956 VanDerWaalsContact O-N 3.11Å; Q954-I957 PolarHBondContact O-N 2.73Å
955	K	73.1	Confident	67.4	Low	10 Å²	10	26.2 Å²	26.2	4%	0.043	13%	0.134	C	C	.	.	H	α-helix	trans	-63.6	-15.6	175.6	-71.9	-61.3	-165.8	-176.9	0	112.7	F929 E932 F951 L952 I957 S958 E960 L961	F929-K955 HydrophobicContact CD2-CD 4.23Å; F929-K955 HydrophobicContact CD2-CG 4.43Å; F929-K955 HydrophobicContact CE2-CB 3.87Å; F929-K955 HydrophobicContact CE2-CD 4Å; F929-K955 HydrophobicContact CE2-CG 3.78Å; F929-K955 HydrophobicContact CZ-CB 4.14Å; F929-K955 HydrophobicContact CZ-CG 4.05Å; F929-K955 WeakPolarHBondContact O-CE 3.22Å; E932-K955 WeakPolarHBondContact OE2-CE 3.49Å; E932-K955 IonicContact OE2-NZ 2.65Å; E932-K955 PolarHBondContact OE2-NZ 3.47Å; F951-K955 HydrophobicContact CD2-CG 4.22Å; F951-K955 HydrophobicContact CE1-CG 4.31Å; F951-K955 HydrophobicContact CE2-CD 4.33Å; F951-K955 HydrophobicContact CE2-CG 3.72Å; F951-K955 HydrophobicContact CZ-CG 3.77Å; F951-K955 PolarHBondContact O-N 2.93Å; L952-K955 PolarHBondContact O-N 3.29Å; K955-I957 VanDerWaalsContact C-N 3.31Å; K955-I957 PolarHBondContact O-N 3.14Å; K955-S958 WeakPolarHBondContact O-CB 3.01Å; K955-S958 PolarHBondContact O-N 3.35Å; K955-S958 PolarHBondContact O-OG 2.86Å; K955-E960 IonicContact NZ-OE2 3.38Å; K955-E960 PolarHBondContact NZ-OE2 3.27Å; K955-L961 WeakPolarHBondContact O-CB 3.38Å
956	A	64.6	Low	66	Low	5 Å²	5	28.9 Å²	28.9	4%	0.041	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-38.1	176.8	0	0	0	0	0	116.6	V598 F602 L952 S953 Q954	V598-A956 WeakPolarHBondContact CG2-O 3.32Å; F602-A956 HydrophobicContact CE1-CB 3.47Å; F602-A956 VanDerWaalsContact CE1-CB 3.47Å; F602-A956 HydrophobicContact CE2-CB 3.6Å; F602-A956 HydrophobicContact CZ-CB 2.93Å; L952-A956 PolarHBondContact O-N 3.45Å; S953-A956 WeakPolarHBondContact O-CB 3.39Å; Q954-A956 PolarHBondContact O-N 3.3Å; Q954-A956 VanDerWaalsContact O-N 3.11Å
957	I	62.1	Low	64.3	Low	52 Å²	52	32.5 Å²	32.5	27%	0.267	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-32.7	175.4	-64.4	-176.7	0	0	0	109.7	L594 L596 T766 M774 Q954 K955 T959	L594-I957 HydrophobicContact CD1-CG1 4.06Å; L596-I957 HydrophobicContact CD1-CB 4.49Å; L596-I957 HydrophobicContact CD1-CG2 3.46Å; L596-I957 VanDerWaalsContact CD1-CG2 3.46Å; L596-I957 WeakPolarHBondContact CD1-O 3.36Å; T766-I957 HydrophobicContact CG2-CD1 3.57Å; T766-I957 HydrophobicContact CG2-CG1 3.47Å; T766-I957 VanDerWaalsContact CG2-CG1 3.47Å; T766-I957 WeakPolarHBondContact OG1-CD1 2.77Å; M774-I957 HydrophobicContact CE-CD1 3.26Å; M774-I957 HydrophobicContact CE-CG1 3.69Å; Q954-I957 PolarHBondContact O-N 2.73Å; K955-I957 VanDerWaalsContact C-N 3.31Å; K955-I957 PolarHBondContact O-N 3.14Å; I957-T959 PolarHBondContact O-N 3.23Å
958	S	63.3	Low	62.4	Low	31 Å²	31	33.4 Å²	33.4	22%	0.217	18%	0.177	C	C	.	.	S	Bend	trans	-63.6	137.9	-173.4	80.2	0	0	0	0	111.1	K955 E960 L961	K955-S958 WeakPolarHBondContact O-CB 3.01Å; K955-S958 PolarHBondContact O-N 3.35Å; K955-S958 PolarHBondContact O-OG 2.86Å; S958-E960 PolarHBondContact O-N 2.71Å; S958-E960 VanDerWaalsContact O-N 3.12Å; S958-E960 PolarHBondContact OG-N 3.3Å; S958-L961 PolarHBondContact O-N 3.25Å; S958-L961 PolarHBondContact OG-N 3.26Å
959	T	61.4	Low	60.2	Low	65 Å²	65	33.5 Å²	33.5	40%	0.399	18%	0.179	S	C	.	.	H	α-helix	trans	-62.5	-13.8	168.3	64.7	0	0	0	0	112.3	L596 I957 S962 K963	L596-T959 HydrophobicContact CD2-CG2 3.8Å; I957-T959 PolarHBondContact O-N 3.23Å; T959-S962 PolarHBondContact O-N 3.24Å; T959-S962 PolarHBondContact O-OG 3.06Å; T959-K963 WeakPolarHBondContact O-CG 3.4Å; T959-K963 PolarHBondContact O-N 3.33Å; T959-K963 VanDerWaalsContact O-N 3.17Å
960	E	56.7	Low	58.2	Low	74 Å²	74	34.8 Å²	34.8	35%	0.346	19%	0.186	S	C	.	.	H	α-helix	trans	-64.6	-44.4	178.6	-58.6	-176.9	163.6	0	0	111.6	F929 K955 S958 S962 K963 L964	F929-E960 HydrophobicContact CD2-CB 4.1Å; K955-E960 IonicContact NZ-OE2 3.38Å; K955-E960 PolarHBondContact NZ-OE2 3.27Å; S958-E960 PolarHBondContact O-N 2.71Å; S958-E960 VanDerWaalsContact O-N 3.12Å; S958-E960 PolarHBondContact OG-N 3.3Å; E960-S962 VanDerWaalsContact C-N 3.25Å; E960-S962 PolarHBondContact O-N 3.08Å; E960-K963 WeakPolarHBondContact O-CB 3.44Å; E960-K963 PolarHBondContact O-N 3.25Å; E960-K963 VanDerWaalsContact O-N 3.07Å; E960-L964 WeakPolarHBondContact O-CB 3.26Å; E960-L964 PolarHBondContact O-N 2.96Å
961	L	56.9	Low	56.1	Low	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-60.2	-38.1	177.8	-173.3	67.6	0	0	0	111.6	V598 F601 F602 F929 K955 S958 K963 L964 I965	V598-L961 HydrophobicContact CG1-CD2 4.06Å; F601-L961 HydrophobicContact CD1-CD2 3.78Å; F601-L961 HydrophobicContact CE1-CD2 4.1Å; F601-L961 HydrophobicContact CG-CD2 4.3Å; F602-L961 HydrophobicContact CZ-CD2 3.8Å; F929-L961 HydrophobicContact CE2-CB 4.23Å; F929-L961 HydrophobicContact CE2-CD1 3.93Å; F929-L961 HydrophobicContact CZ-CD1 3.71Å; K955-L961 WeakPolarHBondContact O-CB 3.38Å; S958-L961 PolarHBondContact O-N 3.25Å; S958-L961 PolarHBondContact OG-N 3.26Å; L961-K963 VanDerWaalsContact C-N 3.34Å; L961-K963 PolarHBondContact O-N 2.8Å; L961-L964 PolarHBondContact O-N 3.22Å; L961-I965 HydrophobicContact CD1-CD1 3.93Å; L961-I965 HydrophobicContact CD1-CG1 4.47Å; L961-I965 PolarHBondContact O-N 3.42Å
962	S	54.9	Low	53.9	Low	16 Å²	16	38.9 Å²	38.9	11%	0.112	22%	0.218	C	C	.	.	H	α-helix	trans	-64.5	-37.2	175.3	70	0	0	0	0	113.9	R597 T959 E960 L964 P966	R597-S962 WeakPolarHBondContact O-CB 3.44Å; T959-S962 PolarHBondContact O-N 3.24Å; T959-S962 PolarHBondContact O-OG 3.06Å; E960-S962 VanDerWaalsContact C-N 3.25Å; E960-S962 PolarHBondContact O-N 3.08Å; S962-L964 VanDerWaalsContact C-N 3.32Å; S962-P966 WeakPolarHBondContact O-CA 2.94Å
963	K	55.5	Low	51.8	Low	126 Å²	126	40.2 Å²	40.2	55%	0.548	23%	0.232	S	C	.	.	H	α-helix	trans	-66.1	-44	174.6	-67.2	171.9	-176.3	178	0	108.6	N921 T959 E960 L961	N921-K963 PolarHBondContact ND2-O 2.82Å; N921-K963 PolarHBondContact OD1-O 2.89Å; T959-K963 WeakPolarHBondContact O-CG 3.4Å; T959-K963 PolarHBondContact O-N 3.33Å; T959-K963 VanDerWaalsContact O-N 3.17Å; E960-K963 WeakPolarHBondContact O-CB 3.44Å; E960-K963 PolarHBondContact O-N 3.25Å; E960-K963 VanDerWaalsContact O-N 3.07Å; L961-K963 VanDerWaalsContact C-N 3.34Å; L961-K963 PolarHBondContact O-N 2.8Å
964	L	53.8	Low	50.2	Low	6 Å²	6	41.3 Å²	41.3	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-70.9	-29	-175.4	-140.1	104.7	0	0	0	113.5	Q859 N921 M926 F929 E960 L961 S962	Q859-L964 PolarHBondContact NE2-O 3.06Å; Q859-L964 VanDerWaalsContact OE1-CG 3.29Å; N921-L964 VanDerWaalsContact ND2-CA 3.33Å; N921-L964 WeakPolarHBondContact ND2-CA 3.45Å; N921-L964 PolarHBondContact ND2-N 3.19Å; M926-L964 HydrophobicContact CE-CD1 3.8Å; M926-L964 HydrophobicContact CE-CD2 3.88Å; M926-L964 HydrophobicContact CE-CG 3.88Å; M926-L964 HydrophobicContact SD-CD1 3.91Å; M926-L964 HydrophobicContact SD-CD2 3.87Å; M926-L964 HydrophobicContact SD-CG 4.27Å; F929-L964 HydrophobicContact CB-CD1 3.7Å; F929-L964 HydrophobicContact CD1-CD1 4.15Å; F929-L964 HydrophobicContact CD1-CD2 3.81Å; F929-L964 HydrophobicContact CD2-CD1 4.04Å; F929-L964 HydrophobicContact CD2-CD2 4.49Å; F929-L964 HydrophobicContact CE1-CD2 3.85Å; F929-L964 HydrophobicContact CG-CD1 3.7Å; F929-L964 HydrophobicContact CG-CD2 4.16Å; F929-L964 HydrophobicContact CG-CG 4.45Å; F929-L964 HydrophobicContact CZ-CD2 4.22Å; E960-L964 WeakPolarHBondContact O-CB 3.26Å; E960-L964 PolarHBondContact O-N 2.96Å; L961-L964 PolarHBondContact O-N 3.22Å; S962-L964 VanDerWaalsContact C-N 3.32Å
965	I	53.7	Low	49.1	Very low	21 Å²	21	41.8 Å²	41.8	11%	0.108	25%	0.252	C	S	.	.			trans	-143.1	71.8	-175	-48.4	177.8	0	0	0	108.7	F601 P855 L961 D967 L968	F601-I965 HydrophobicContact CD2-CD1 3.76Å; F601-I965 HydrophobicContact CD2-CG2 4.19Å; F601-I965 HydrophobicContact CE2-CD1 3.64Å; P855-I965 HydrophobicContact CB-CD1 4.06Å; L961-I965 HydrophobicContact CD1-CD1 3.93Å; L961-I965 HydrophobicContact CD1-CG1 4.47Å; L961-I965 PolarHBondContact O-N 3.42Å; I965-D967 VanDerWaalsContact C-N 3.31Å; I965-D967 PolarHBondContact O-N 2.67Å; I965-L968 HydrophobicContact CG2-CB 4.33Å; I965-L968 HydrophobicContact CG2-CD1 3.57Å; I965-L968 HydrophobicContact CG2-CG 3.51Å
966	P	48.6	Very low	48.4	Very low	68 Å²	68	45 Å²	45	44%	0.442	27%	0.267	S	S	.	.	S	Bend	trans	-67.1	-31.6	-171.1	18.8	-25.8	0	0	0	113.1	S919 S962	S919-P966 VanDerWaalsContact CB-CG 3.41Å; S962-P966 WeakPolarHBondContact O-CA 2.94Å
967	D	43.4	Very low	48.7	Very low	81 Å²	81	46 Å²	46	43%	0.433	27%	0.271	S	S	.	.			trans	-161.4	102.1	-178.9	-147.4	-19.9	0	0	0	111	L600 I965 G969	L600-D967 WeakPolarHBondContact CD1-OD1 3.25Å; I965-D967 VanDerWaalsContact C-N 3.31Å; I965-D967 PolarHBondContact O-N 2.67Å; D967-G969 PolarHBondContact O-N 2.82Å; D967-G969 PolarHBondContact OD1-N 3.44Å
968	L	38.1	Very low	49.4	Very low	52 Å²	52	44.3 Å²	44.3	27%	0.272	26%	0.262	S	S	.	.			trans	-82	15.5	174.2	-98	171.7	0	0	0	112.5	F601 I965 L970	F601-L968 HydrophobicContact CD2-CD1 4.01Å; F601-L968 HydrophobicContact CE2-CD1 4.36Å; I965-L968 HydrophobicContact CG2-CB 4.33Å; I965-L968 HydrophobicContact CG2-CD1 3.57Å; I965-L968 HydrophobicContact CG2-CG 3.51Å; L968-L970 VanDerWaalsContact C-N 3.29Å; L968-L970 HydrophobicContact CB-CD1 3.38Å; L968-L970 HydrophobicContact CB-CD2 3.65Å; L968-L970 HydrophobicContact CB-CG 3.47Å; L968-L970 VanDerWaalsContact CB-CG 3.47Å; L968-L970 HydrophobicContact CD1-CD1 4.43Å; L968-L970 WeakPolarHBondContact O-CD2 3.47Å; L968-L970 WeakPolarHBondContact O-CG 3.49Å; L968-L970 PolarHBondContact O-N 3.35Å
969	G	31	Very low	50.2	Low	6 Å²	6	46.4 Å²	46.4	6%	0.062	27%	0.268	C	S	.	.	S	Bend	trans	68.1	29.6	176.8	0	0	0	0	0	113.7	D967 S972 G973 G974	D967-G969 PolarHBondContact O-N 2.82Å; D967-G969 PolarHBondContact OD1-N 3.44Å; G969-S972 WeakPolarHBondContact CA-OG 3.35Å; G969-S972 CarbonylContact O-C 3.52Å; G969-S972 VanDerWaalsContact O-CA 3.3Å; G969-S972 WeakPolarHBondContact O-CA 3.19Å; G969-S972 PolarHBondContact O-N 3.41Å; G969-S972 PolarHBondContact O-OG 3.41Å; G969-G973 PolarHBondContact O-N 3.05Å; G969-G973 VanDerWaalsContact O-N 3.07Å; G969-G974 PolarHBondContact O-N 3.42Å
970	L	34.2	Very low	51.3	Low	28 Å²	28	43.9 Å²	43.9	15%	0.147	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-32.6	-162.4	-60.3	173.7	0	0	0	113.5	L600 A604 L968 S972	L600-L970 HydrophobicContact CB-CB 4.4Å; L600-L970 HydrophobicContact CB-CD1 4.21Å; L600-L970 WeakPolarHBondContact O-CD1 3.38Å; A604-L970 HydrophobicContact CB-CB 3.66Å; A604-L970 HydrophobicContact CB-CD1 3.06Å; A604-L970 HydrophobicContact CB-CD2 2.85Å; A604-L970 HydrophobicContact CB-CG 3.21Å; L968-L970 VanDerWaalsContact C-N 3.29Å; L968-L970 HydrophobicContact CB-CD1 3.38Å; L968-L970 HydrophobicContact CB-CD2 3.65Å; L968-L970 HydrophobicContact CB-CG 3.47Å; L968-L970 VanDerWaalsContact CB-CG 3.47Å; L968-L970 HydrophobicContact CD1-CD1 4.43Å; L968-L970 WeakPolarHBondContact O-CD2 3.47Å; L968-L970 WeakPolarHBondContact O-CG 3.49Å; L968-L970 PolarHBondContact O-N 3.35Å; L970-S972 PolarHBondContact O-N 2.97Å
971	S	30.6	Very low	52.6	Low	75 Å²	75	42.5 Å²	42.5	52%	0.524	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.1	162.3	55.6	0	0	0	0	112.2
972	S	31	Very low	53.7	Low	43 Å²	43	47.9 Å²	47.9	30%	0.301	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	33.8	-176.4	61.1	0	0	0	0	113.9	G969 L970 G974 K976	G969-S972 WeakPolarHBondContact CA-OG 3.35Å; G969-S972 CarbonylContact O-C 3.52Å; G969-S972 VanDerWaalsContact O-CA 3.3Å; G969-S972 WeakPolarHBondContact O-CA 3.19Å; G969-S972 PolarHBondContact O-N 3.41Å; G969-S972 PolarHBondContact O-OG 3.41Å; L970-S972 PolarHBondContact O-N 2.97Å; S972-G974 PolarHBondContact O-N 3.46Å; S972-K976 VanDerWaalsContact CB-CE 3.45Å; S972-K976 WeakPolarHBondContact OG-CE 3.35Å
973	G	30	Very low	54.9	Low	29 Å²	29	52.8 Å²	52.8	30%	0.299	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	-10.2	164.5	0	0	0	0	0	118.2	G969 V1134	G969-G973 PolarHBondContact O-N 3.05Å; G969-G973 VanDerWaalsContact O-N 3.07Å; G973-V1134 WeakPolarHBondContact O-CG2 3.3Å
974	G	39.5	Very low	56.3	Low	26 Å²	26	49.5 Å²	49.5	27%	0.268	30%	0.298	S	S	.	.	S	Bend	trans	-178.9	158.3	-175.8	0	0	0	0	0	110.4	G969 S972 K976	G969-G974 PolarHBondContact O-N 3.42Å; S972-G974 PolarHBondContact O-N 3.46Å; G974-K976 PolarHBondContact O-N 3.26Å
975	S	48.3	Very low	58	Low	62 Å²	62	50.1 Å²	50.1	43%	0.434	30%	0.301	S	S	.	.			trans	-54.5	101.7	173.5	53.2	0	0	0	0	108.6	L977	S975-L977 PolarHBondContact O-N 3.42Å
976	K	59.9	Low	59.7	Low	79 Å²	79	50.6 Å²	50.6	34%	0.343	30%	0.303	S	S	.	.			trans	-56	118.9	169.1	-74.6	178	176.1	158.6	0	106.2	S972 G974 F978 H979	S972-K976 VanDerWaalsContact CB-CE 3.45Å; S972-K976 WeakPolarHBondContact OG-CE 3.35Å; G974-K976 PolarHBondContact O-N 3.26Å; K976-F978 PolarHBondContact O-N 2.91Å; K976-H979 HydrophobicContact CD-CB 3.99Å
977	L	70.9	Confident	61.7	Low	24 Å²	24	47.4 Å²	47.4	13%	0.126	28%	0.283	C	S	.	.	S	Bend	trans	-63.9	-24.6	177.4	-66.3	170.2	0	0	0	111.1	S975 S990 L992 L993 Y998	S975-L977 PolarHBondContact O-N 3.42Å; L977-S990 WeakPolarHBondContact O-CA 2.97Å; L977-S990 WeakPolarHBondContact O-CB 3.17Å; L977-S990 PolarHBondContact O-N 3.31Å; L977-L992 HydrophobicContact CD2-CB 4.06Å; L977-L993 HydrophobicContact CB-CB 4.45Å; L977-L993 HydrophobicContact CB-CD1 3.77Å; L977-L993 HydrophobicContact CD1-CD1 4.06Å; L977-L993 HydrophobicContact CG-CD1 4.41Å; L977-Y998 HydrophobicContact CD1-CD1 3.66Å; L977-Y998 HydrophobicContact CD1-CE1 3.44Å; L977-Y998 VanDerWaalsContact CD1-CE1 3.44Å; L977-Y998 HydrophobicContact CD1-CE2 4.4Å; L977-Y998 HydrophobicContact CD1-CG 4.23Å; L977-Y998 HydrophobicContact CD2-CE2 4.38Å
978	F	75.9	Confident	63.7	Low	18 Å²	18	45.7 Å²	45.7	8%	0.079	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	155.5	170.7	47.1	-80.9	0	0	0	109.6	K976 L987 E988 I989 L993 L1014 V1018 I1021	K976-F978 PolarHBondContact O-N 2.91Å; F978-L987 HydrophobicContact CD2-CD1 4.25Å; F978-E988 CarbonylContact C-O 3.31Å; F978-E988 WeakPolarHBondContact CA-O 3.44Å; F978-E988 WeakPolarHBondContact CB-O 3.39Å; F978-I989 HydrophobicContact CB-CB 4.37Å; F978-I989 HydrophobicContact CB-CG2 3.92Å; F978-L993 HydrophobicContact CB-CD2 4.45Å; F978-L993 HydrophobicContact CD1-CD1 3.79Å; F978-L993 HydrophobicContact CD1-CD2 3.51Å; F978-L993 HydrophobicContact CD1-CG 4.26Å; F978-L993 HydrophobicContact CE1-CD1 3.79Å; F978-L993 HydrophobicContact CE1-CD2 4.16Å; F978-L993 HydrophobicContact CG-CD2 4.28Å; F978-L1014 HydrophobicContact CE1-CD2 4.49Å; F978-V1018 HydrophobicContact CE2-CG2 4.36Å; F978-I1021 HydrophobicContact CD2-CD1 3.47Å; F978-I1021 VanDerWaalsContact CD2-CD1 3.47Å; F978-I1021 HydrophobicContact CE2-CD1 3.45Å; F978-I1021 VanDerWaalsContact CE2-CD1 3.45Å
979	H	80.5	Confident	66	Low	75 Å²	75	43.2 Å²	43.2	35%	0.347	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	148	177.8	-179.7	52.3	0	0	0	110.8	K976 E988	K976-H979 HydrophobicContact CD-CB 3.99Å; H979-E988 PolarHBondContact N-O 2.9Å; H979-E988 PolarHBondContact O-N 3.44Å
980	Y	83.9	Confident	68.3	Low	12 Å²	12	43 Å²	43	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	118.8	175.7	174.1	-106.3	0	0	0	111.1	K909 M913 Q982 N985 I1021 L1025	K909-Y980 WeakPolarHBondContact CE-OH 3.34Å; M913-Y980 HydrophobicContact CE-CD2 3.81Å; M913-Y980 HydrophobicContact CE-CE2 3.18Å; M913-Y980 HydrophobicContact CG-CE2 4.06Å; M913-Y980 HydrophobicContact SD-CD2 3.86Å; M913-Y980 HydrophobicContact SD-CE2 3.71Å; Y980-Q982 HydrophobicContact CE1-CB 4.02Å; Y980-Q982 HydrophobicContact CE1-CG 4.32Å; Y980-Q982 PolarHBondContact O-N 3.18Å; Y980-N985 WeakPolarHBondContact CE2-OD1 3.48Å; Y980-N985 PolarHBondContact OH-OD1 3.19Å; Y980-I1021 HydrophobicContact CG-CG2 4.18Å; Y980-L1025 HydrophobicContact CE1-CD1 4.05Å; Y980-L1025 HydrophobicContact CE1-CD2 3.92Å; Y980-L1025 HydrophobicContact CE1-CG 4.44Å
981	I	83.3	Confident	70.4	Confident	44 Å²	44	42.3 Å²	42.3	23%	0.226	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	106.2	175.4	-58.1	179.6	0	0	0	108.8	S983 S984 N985 I986 E988	I981-S983 VanDerWaalsContact C-N 3.29Å; I981-S983 WeakPolarHBondContact CG2-OG 3.2Å; I981-S983 PolarHBondContact O-N 3.02Å; I981-S984 WeakPolarHBondContact CB-OG 3.23Å; I981-S984 VanDerWaalsContact CG2-OG 3.26Å; I981-S984 WeakPolarHBondContact CG2-OG 3.37Å; I981-S984 PolarHBondContact O-N 3.04Å; I981-N985 WeakPolarHBondContact O-CA 3.48Å; I981-N985 PolarHBondContact O-N 3.29Å; I981-I986 PolarHBondContact N-O 3.31Å; I981-I986 PolarHBondContact O-N 2.62Å; I981-E988 HydrophobicContact CD1-CG 3.8Å; I981-E988 WeakPolarHBondContact CD1-OE1 3.4Å; I981-E988 HydrophobicContact CG1-CG 4.35Å
982	Q	81	Confident	72.6	Confident	115 Å²	115	41.9 Å²	41.9	54%	0.537	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.4	-175.7	-171.9	176.8	-12.1	0	0	114	Y980	Y980-Q982 HydrophobicContact CE1-CB 4.02Å; Y980-Q982 HydrophobicContact CE1-CG 4.32Å; Y980-Q982 PolarHBondContact O-N 3.18Å
983	S	80.5	Confident	75.1	Confident	118 Å²	118	39.8 Å²	39.8	83%	0.825	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-37.7	-177.6	55	0	0	0	0	113.2	I981	I981-S983 VanDerWaalsContact C-N 3.29Å; I981-S983 WeakPolarHBondContact CG2-OG 3.2Å; I981-S983 PolarHBondContact O-N 3.02Å
984	S	83.8	Confident	77.7	Confident	58 Å²	58	38.9 Å²	38.9	41%	0.406	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-10.2	178.7	57.8	0	0	0	0	113.5	I981 I986	I981-S984 WeakPolarHBondContact CB-OG 3.23Å; I981-S984 VanDerWaalsContact CG2-OG 3.26Å; I981-S984 WeakPolarHBondContact CG2-OG 3.37Å; I981-S984 PolarHBondContact O-N 3.04Å; S984-I986 VanDerWaalsContact C-N 3.3Å
985	N	90.3	Very high	79.7	Confident	19 Å²	19	42 Å²	42	10%	0.102	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	39.6	-173.3	-165.7	32.9	0	0	0	113.1	K909 S912 M913 K914 Y980 I981	K909-N985 PolarHBondContact O-ND2 3.03Å; K909-N985 PolarHBondContact O-OD1 3.24Å; S912-N985 PolarHBondContact OG-ND2 3.41Å; M913-N985 PolarHBondContact N-ND2 2.92Å; K914-N985 PolarHBondContact N-O 2.85Å; Y980-N985 WeakPolarHBondContact CE2-OD1 3.48Å; Y980-N985 PolarHBondContact OH-OD1 3.19Å; I981-N985 WeakPolarHBondContact O-CA 3.48Å; I981-N985 PolarHBondContact O-N 3.29Å
986	I	89.2	Confident	81.3	Confident	30 Å²	30	44.2 Å²	44.2	15%	0.154	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.3	-177.6	-62	173.8	0	0	0	109.6	K914 Q916 I981 S984 E988	K914-I986 CarbonylContact O-C 3.46Å; K914-I986 WeakPolarHBondContact O-CA 3.35Å; Q916-I986 HydrophobicContact CB-CG2 3.51Å; I981-I986 PolarHBondContact N-O 3.31Å; I981-I986 PolarHBondContact O-N 2.62Å; S984-I986 VanDerWaalsContact C-N 3.3Å; I986-E988 HydrophobicContact CG2-CG 4.18Å
987	L	89.9	Confident	82.3	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	104.1	165	-178.2	65.7	0	0	0	108.5	F877 K914 I915 Q916 F978 I989 V1018	F877-L987 HydrophobicContact CE1-CD2 4.25Å; K914-L987 PolarHBondContact O-N 3.49Å; I915-L987 WeakPolarHBondContact CA-O 3.44Å; I915-L987 HydrophobicContact CG1-CB 4.32Å; I915-L987 HydrophobicContact CG1-CD2 4.3Å; Q916-L987 PolarHBondContact N-O 2.84Å; F978-L987 HydrophobicContact CD2-CD1 4.25Å; L987-I989 HydrophobicContact CG-CG2 4.45Å; L987-V1018 HydrophobicContact CD2-CG1 4.24Å; L987-V1018 HydrophobicContact CD2-CG2 4.1Å
988	E	86.2	Confident	83	Confident	46 Å²	46	45 Å²	45	22%	0.215	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	130.2	174	-67.3	-166.9	162.3	0	0	110.5	Q916 M918 F978 H979 I981 I986	Q916-E988 CarbonylContact O-C 3.35Å; Q916-E988 VanDerWaalsContact O-CA 3.24Å; Q916-E988 WeakPolarHBondContact O-CA 3.3Å; M918-E988 HydrophobicContact CG-CB 3.75Å; F978-E988 CarbonylContact C-O 3.31Å; F978-E988 WeakPolarHBondContact CA-O 3.44Å; F978-E988 WeakPolarHBondContact CB-O 3.39Å; H979-E988 PolarHBondContact N-O 2.9Å; H979-E988 PolarHBondContact O-N 3.44Å; I981-E988 HydrophobicContact CD1-CG 3.8Å; I981-E988 WeakPolarHBondContact CD1-OE1 3.4Å; I981-E988 HydrophobicContact CG1-CG 4.35Å; I986-E988 HydrophobicContact CG2-CG 4.18Å
989	I	86.5	Confident	83.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.6	176.1	62.9	170.1	0	0	0	111	I874 F877 I915 Q916 L917 M918 F978 L987 L993 L994	I874-I989 HydrophobicContact CG1-CD1 4.24Å; F877-I989 HydrophobicContact CD1-CD1 4.49Å; F877-I989 HydrophobicContact CD1-CG2 4.39Å; F877-I989 HydrophobicContact CE1-CG2 3.92Å; F877-I989 HydrophobicContact CG-CD1 4.39Å; F877-I989 HydrophobicContact CZ-CG2 4.09Å; I915-I989 HydrophobicContact CG2-CD1 3.88Å; I915-I989 HydrophobicContact CG2-CG1 4Å; I915-I989 HydrophobicContact CG2-CG2 4.18Å; Q916-I989 PolarHBondContact O-N 3.17Å; L917-I989 CarbonylContact C-O 3.59Å; L917-I989 WeakPolarHBondContact CA-O 3.33Å; L917-I989 HydrophobicContact CD1-CG1 4.37Å; L917-I989 WeakPolarHBondContact CD1-O 3.26Å; M918-I989 WeakPolarHBondContact CG-O 3.36Å; M918-I989 PolarHBondContact N-O 2.86Å; F978-I989 HydrophobicContact CB-CB 4.37Å; F978-I989 HydrophobicContact CB-CG2 3.92Å; L987-I989 HydrophobicContact CG-CG2 4.45Å; I989-L993 HydrophobicContact CB-CD2 4.22Å; I989-L993 HydrophobicContact CG2-CD2 4.17Å; I989-L994 HydrophobicContact CD1-CD1 4.46Å; I989-L994 HydrophobicContact CD1-CD2 4.07Å; I989-L994 HydrophobicContact CD1-CG 4.49Å
990	S	79.5	Confident	84.2	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.014	22%	0.22	C	C	.	.			trans	-79.4	148.3	173.8	-177.7	0	0	0	0	110.4	L977 L992 L993	L977-S990 WeakPolarHBondContact O-CA 2.97Å; L977-S990 WeakPolarHBondContact O-CB 3.17Å; L977-S990 PolarHBondContact O-N 3.31Å; S990-L992 PolarHBondContact O-N 3.28Å; S990-L992 PolarHBondContact OG-N 2.76Å; S990-L993 VanDerWaalsContact O-CB 3.26Å; S990-L993 WeakPolarHBondContact O-CB 3.46Å; S990-L993 PolarHBondContact O-N 3.27Å
991	L	77.6	Confident	84.4	Confident	13 Å²	13	43 Å²	43	7%	0.068	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-56.1	-35.4	170.9	-160.2	80.8	0	0	0	112.2	Q862 W865 L870 L917 L993 L994	Q862-L991 HydrophobicContact CB-CD2 4.27Å; Q862-L991 HydrophobicContact CG-CB 4.06Å; Q862-L991 HydrophobicContact CG-CD1 4.32Å; Q862-L991 HydrophobicContact CG-CD2 3.54Å; Q862-L991 HydrophobicContact CG-CG 4.18Å; W865-L991 HydrophobicContact CD2-CD1 3.8Å; W865-L991 HydrophobicContact CD2-CD2 3.87Å; W865-L991 HydrophobicContact CD2-CG 4.11Å; W865-L991 HydrophobicContact CE3-CD1 3.2Å; W865-L991 HydrophobicContact CE3-CD2 4.14Å; W865-L991 HydrophobicContact CE3-CG 3.85Å; W865-L991 HydrophobicContact CG-CD2 4.4Å; W865-L991 HydrophobicContact CH2-CD1 3.8Å; W865-L991 HydrophobicContact CH2-CD2 4.11Å; W865-L991 HydrophobicContact CH2-CG 3.59Å; W865-L991 HydrophobicContact CZ2-CD1 4.35Å; W865-L991 HydrophobicContact CZ2-CD2 3.89Å; W865-L991 HydrophobicContact CZ2-CG 3.9Å; W865-L991 HydrophobicContact CZ3-CD1 3.18Å; W865-L991 HydrophobicContact CZ3-CD2 4.24Å; W865-L991 HydrophobicContact CZ3-CG 3.57Å; L870-L991 HydrophobicContact CD1-CD1 3.31Å; L917-L991 HydrophobicContact CD1-CD1 4.12Å; L917-L991 HydrophobicContact CD2-CD1 4.25Å; L991-L993 PolarHBondContact O-N 2.99Å; L991-L993 VanDerWaalsContact O-N 3.15Å; L991-L994 PolarHBondContact O-N 3.5Å
992	L	77.5	Confident	84.7	Confident	65 Å²	65	45.4 Å²	45.4	34%	0.34	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-64.3	-19	-179.3	-79.8	77.1	0	0	0	112.7	Q858 L977 S990 L994 Q995 Y998	Q858-L992 HydrophobicContact CG-CD1 4.42Å; L977-L992 HydrophobicContact CD2-CB 4.06Å; S990-L992 PolarHBondContact O-N 3.28Å; S990-L992 PolarHBondContact OG-N 2.76Å; L992-L994 VanDerWaalsContact C-N 3.34Å; L992-Q995 WeakPolarHBondContact O-CG 3.16Å; L992-Q995 PolarHBondContact O-NE2 3.32Å; L992-Y998 WeakPolarHBondContact O-CD2 3.23Å
993	L	82.9	Confident	84.9	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-74.3	-28.1	175	-168.2	72.3	0	0	0	111.7	F877 L977 F978 I989 S990 L991 Q995 Y998 F999 L1014	F877-L993 HydrophobicContact CD2-CD2 4.33Å; F877-L993 HydrophobicContact CE2-CD2 3.44Å; F877-L993 VanDerWaalsContact CE2-CD2 3.44Å; F877-L993 HydrophobicContact CE2-CG 4.36Å; F877-L993 HydrophobicContact CZ-CD2 3.81Å; L977-L993 HydrophobicContact CB-CB 4.45Å; L977-L993 HydrophobicContact CB-CD1 3.77Å; L977-L993 HydrophobicContact CD1-CD1 4.06Å; L977-L993 HydrophobicContact CG-CD1 4.41Å; F978-L993 HydrophobicContact CB-CD2 4.45Å; F978-L993 HydrophobicContact CD1-CD1 3.79Å; F978-L993 HydrophobicContact CD1-CD2 3.51Å; F978-L993 HydrophobicContact CD1-CG 4.26Å; F978-L993 HydrophobicContact CE1-CD1 3.79Å; F978-L993 HydrophobicContact CE1-CD2 4.16Å; F978-L993 HydrophobicContact CG-CD2 4.28Å; I989-L993 HydrophobicContact CB-CD2 4.22Å; I989-L993 HydrophobicContact CG2-CD2 4.17Å; S990-L993 VanDerWaalsContact O-CB 3.26Å; S990-L993 WeakPolarHBondContact O-CB 3.46Å; S990-L993 PolarHBondContact O-N 3.27Å; L991-L993 PolarHBondContact O-N 2.99Å; L991-L993 VanDerWaalsContact O-N 3.15Å; L993-Q995 PolarHBondContact O-N 3.23Å; L993-Y998 HydrophobicContact CD1-CG 4.33Å; L993-Y998 WeakPolarHBondContact O-CB 3.33Å; L993-F999 WeakPolarHBondContact O-CB 3.45Å; L993-F999 PolarHBondContact O-N 3.47Å; L993-L1014 HydrophobicContact CD1-CD2 3.72Å; L993-L1014 HydrophobicContact CD2-CD2 4.13Å; L993-L1014 HydrophobicContact CG-CD2 4.13Å
994	L	85	Confident	85.2	Confident	9 Å²	9	41.4 Å²	41.4	5%	0.047	22%	0.217	C	C	.	.	S	Bend	trans	-84.2	33.2	-173.6	-59.8	177.3	0	0	0	113.1	W865 L870 A873 L917 I989 L991 L992 F999	W865-L994 HydrophobicContact CH2-CB 3.79Å; W865-L994 HydrophobicContact CZ3-CB 3.87Å; W865-L994 HydrophobicContact CZ3-CD1 3.96Å; L870-L994 HydrophobicContact CD1-CD1 4.27Å; A873-L994 HydrophobicContact CB-CD1 4.03Å; A873-L994 HydrophobicContact CB-CD2 4.15Å; L917-L994 HydrophobicContact CD1-CD1 4.32Å; I989-L994 HydrophobicContact CD1-CD1 4.46Å; I989-L994 HydrophobicContact CD1-CD2 4.07Å; I989-L994 HydrophobicContact CD1-CG 4.49Å; L991-L994 PolarHBondContact O-N 3.5Å; L992-L994 VanDerWaalsContact C-N 3.34Å; L994-F999 CarbonylContact C-O 3.53Å; L994-F999 HydrophobicContact CD2-CD1 3.74Å; L994-F999 HydrophobicContact CD2-CE1 4.22Å
995	Q	81.6	Confident	85.4	Confident	91 Å²	91	39.7 Å²	39.7	43%	0.425	20%	0.203	S	C	.	.	S	Bend	trans	-144.9	161.6	177.1	58.3	175.5	4.5	0	0	111	L992 L993 Y998 F999	L992-Q995 WeakPolarHBondContact O-CG 3.16Å; L992-Q995 PolarHBondContact O-NE2 3.32Å; L993-Q995 PolarHBondContact O-N 3.23Å; Q995-Y998 PolarHBondContact O-N 2.98Å; Q995-F999 CarbonylContact C-O 3.54Å; Q995-F999 VanDerWaalsContact CA-O 3.28Å; Q995-F999 WeakPolarHBondContact CA-O 3.48Å; Q995-F999 PolarHBondContact N-O 3.06Å; Q995-F999 VanDerWaalsContact N-O 3.1Å; Q995-F999 PolarHBondContact O-N 3.17Å
996	W	81	Confident	85.3	Confident	109 Å²	109	39.8 Å²	39.8	41%	0.413	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	138.2	169.5	-167.9	-115.1	0	0	0	110.8	M1000 I1005 L1009 W1114	W996-M1000 HydrophobicContact CB-CE 3.71Å; W996-I1005 HydrophobicContact CD2-CD1 3.47Å; W996-I1005 VanDerWaalsContact CD2-CD1 3.47Å; W996-I1005 HydrophobicContact CE3-CD1 3.02Å; W996-I1005 HydrophobicContact CE3-CG1 4.42Å; W996-I1005 HydrophobicContact CG-CD1 4.27Å; W996-I1005 HydrophobicContact CH2-CD1 3.95Å; W996-I1005 HydrophobicContact CH2-CG2 3.81Å; W996-I1005 HydrophobicContact CZ2-CD1 4.33Å; W996-I1005 HydrophobicContact CZ3-CB 4.44Å; W996-I1005 HydrophobicContact CZ3-CD1 3.31Å; W996-I1005 HydrophobicContact CZ3-CG1 4.41Å; W996-I1005 HydrophobicContact CZ3-CG2 3.69Å; W996-L1009 HydrophobicContact CH2-CB 4.44Å; W996-W1114 AromaticContact CH2-CH2 3.74Å; W996-W1114 HydrophobicContact CH2-CH2 3.74Å; W996-W1114 AromaticContact CH2-CZ2 3.35Å; W996-W1114 HydrophobicContact CH2-CZ2 3.35Å; W996-W1114 AromaticContact CZ2-CH2 3.63Å; W996-W1114 HydrophobicContact CZ2-CH2 3.63Å; W996-W1114 AromaticContact CZ2-CZ2 3.7Å; W996-W1114 HydrophobicContact CZ2-CZ2 3.7Å; W996-W1114 HydrophobicContact CZ3-CZ2 4.05Å
997	P	82.1	Confident	85.3	Confident	47 Å²	47	40.3 Å²	40.3	31%	0.305	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.3	8.7	9.4	36.8	-36.5	0	0	0	116.6	W1114 L1118	P997-W1114 HydrophobicContact CB-CZ2 4.24Å; P997-L1118 HydrophobicContact CB-CD2 4.49Å; P997-L1118 HydrophobicContact CG-CD2 4.43Å
998	Y	84.4	Confident	85.2	Confident	73 Å²	73	40.2 Å²	40.2	29%	0.286	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-52.2	-170.2	-58.1	-69.5	0	0	0	113.9	L977 L992 L993 Q995 Y1013	L977-Y998 HydrophobicContact CD1-CD1 3.66Å; L977-Y998 HydrophobicContact CD1-CE1 3.44Å; L977-Y998 VanDerWaalsContact CD1-CE1 3.44Å; L977-Y998 HydrophobicContact CD1-CE2 4.4Å; L977-Y998 HydrophobicContact CD1-CG 4.23Å; L977-Y998 HydrophobicContact CD2-CE2 4.38Å; L992-Y998 WeakPolarHBondContact O-CD2 3.23Å; L993-Y998 HydrophobicContact CD1-CG 4.33Å; L993-Y998 WeakPolarHBondContact O-CB 3.33Å; Q995-Y998 PolarHBondContact O-N 2.98Å; Y998-Y1013 HydrophobicContact CD1-CE1 4.29Å
999	F	90.2	Very high	85.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.			trans	-151.3	132.1	179.7	-174.6	-121.2	0	0	0	110.5	Q876 F877 I881 L993 L994 Q995 P1001 N1010 F1011 L1014	Q876-F999 HydrophobicContact CB-CE1 4.43Å; Q876-F999 HydrophobicContact CB-CZ 4.14Å; Q876-F999 HydrophobicContact CG-CZ 3.95Å; F877-F999 HydrophobicContact CB-CE1 4Å; F877-F999 HydrophobicContact CB-CZ 4.19Å; F877-F999 HydrophobicContact CD2-CD1 4.11Å; F877-F999 HydrophobicContact CD2-CD2 4.49Å; F877-F999 HydrophobicContact CD2-CE1 4.18Å; F877-F999 HydrophobicContact CD2-CG 4.25Å; F877-F999 HydrophobicContact CD2-CZ 4.4Å; I881-F999 HydrophobicContact CD1-CE2 4.46Å; I881-F999 HydrophobicContact CG1-CE2 4.25Å; L993-F999 WeakPolarHBondContact O-CB 3.45Å; L993-F999 PolarHBondContact O-N 3.47Å; L994-F999 CarbonylContact C-O 3.53Å; L994-F999 HydrophobicContact CD2-CD1 3.74Å; L994-F999 HydrophobicContact CD2-CE1 4.22Å; Q995-F999 CarbonylContact C-O 3.54Å; Q995-F999 VanDerWaalsContact CA-O 3.28Å; Q995-F999 WeakPolarHBondContact CA-O 3.48Å; Q995-F999 PolarHBondContact N-O 3.06Å; Q995-F999 VanDerWaalsContact N-O 3.1Å; Q995-F999 PolarHBondContact O-N 3.17Å; F999-P1001 HydrophobicContact CD1-CB 4.36Å; F999-P1001 HydrophobicContact CE1-CB 3.83Å; F999-N1010 WeakPolarHBondContact CA-OD1 3.36Å; F999-F1011 HydrophobicContact CE2-CD1 4.13Å; F999-F1011 AromaticContact CE2-CE1 3.86Å; F999-F1011 HydrophobicContact CE2-CE1 3.86Å; F999-L1014 HydrophobicContact CB-CD1 3.83Å; F999-L1014 HydrophobicContact CD2-CD1 3.44Å; F999-L1014 VanDerWaalsContact CD2-CD1 3.44Å; F999-L1014 HydrophobicContact CE2-CD1 4.3Å; F999-L1014 HydrophobicContact CG-CD1 3.93Å
1000	M	91.4	Very high	85.6	Confident	40 Å²	40	38.5 Å²	38.5	20%	0.197	20%	0.197	C	C	.	.			trans	-115.2	106	173.3	-167.4	65	75.1	0	0	110.1	W996 D1002 L1003 I1005 N1010	W996-M1000 HydrophobicContact CB-CE 3.71Å; M1000-D1002 VanDerWaalsContact C-N 3.3Å; M1000-D1002 WeakPolarHBondContact CG-OD1 3.12Å; M1000-D1002 PolarHBondContact O-N 2.64Å; M1000-L1003 PolarHBondContact O-N 2.64Å; M1000-I1005 HydrophobicContact CB-CD1 3.83Å; M1000-I1005 HydrophobicContact CB-CG1 4.2Å; M1000-I1005 HydrophobicContact CE-CD1 3.95Å; M1000-I1005 HydrophobicContact CG-CD1 4.15Å; M1000-I1005 HydrophobicContact CG-CG1 4.32Å; M1000-N1010 PolarHBondContact N-OD1 3.27Å; M1000-N1010 PolarHBondContact O-ND2 3.34Å
1001	P	89.1	Confident	86.2	Confident	22 Å²	22	38.4 Å²	38.4	14%	0.143	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-18	-173.5	28.6	-35.3	0	0	0	114.1	Y872 A873 Q876 F999 L1003	Y872-P1001 HydrophobicContact CD1-CB 4.46Å; Y872-P1001 HydrophobicContact CE1-CB 4.34Å; Y872-P1001 WeakPolarHBondContact CE1-O 3.24Å; A873-P1001 HydrophobicContact CB-CB 3.79Å; A873-P1001 HydrophobicContact CB-CG 3.96Å; Q876-P1001 HydrophobicContact CB-CB 4.43Å; F999-P1001 HydrophobicContact CD1-CB 4.36Å; F999-P1001 HydrophobicContact CE1-CB 3.83Å; P1001-L1003 PolarHBondContact O-N 2.72Å
1002	D	88.2	Confident	86.8	Confident	96 Å²	96	37.8 Å²	37.8	51%	0.513	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-2.9	177.7	69.7	4.1	0	0	0	113.4	M1000 S1004	M1000-D1002 VanDerWaalsContact C-N 3.3Å; M1000-D1002 WeakPolarHBondContact CG-OD1 3.12Å; M1000-D1002 PolarHBondContact O-N 2.64Å; D1002-S1004 PolarHBondContact O-N 2.95Å; D1002-S1004 WeakPolarHBondContact OD1-CB 3.46Å; D1002-S1004 PolarHBondContact OD1-N 3.41Å; D1002-S1004 PolarHBondContact OD1-OG 3.11Å
1003	L	85.5	Confident	87.4	Confident	65 Å²	65	36.4 Å²	36.4	34%	0.34	18%	0.183	S	C	.	.			trans	58.2	25.9	-177.4	-52.3	-179	0	0	0	114.2	M1000 P1001 I1005 F1011	M1000-L1003 PolarHBondContact O-N 2.64Å; P1001-L1003 PolarHBondContact O-N 2.72Å; L1003-I1005 PolarHBondContact O-N 2.82Å; L1003-I1005 VanDerWaalsContact O-N 3.11Å; L1003-F1011 HydrophobicContact CD2-CE1 3.87Å; L1003-F1011 HydrophobicContact CD2-CZ 3.51Å
1004	S	86.8	Confident	87.9	Confident	83 Å²	83	36.4 Å²	36.4	58%	0.58	18%	0.183	S	C	*	.			trans	-70	-4.6	177.9	79.3	0	0	0	0	114	D1002	D1002-S1004 PolarHBondContact O-N 2.95Å; D1002-S1004 WeakPolarHBondContact OD1-CB 3.46Å; D1002-S1004 PolarHBondContact OD1-N 3.41Å; D1002-S1004 PolarHBondContact OD1-OG 3.11Å
1005	I	87.8	Confident	88.3	Confident	23 Å²	23	36.1 Å²	36.1	12%	0.118	18%	0.182	C	C	.	.	S	Bend	trans	-120.7	140.1	-172.7	-57.4	-176.7	0	0	0	108.2	W996 M1000 L1003 R1007 L1009	W996-I1005 HydrophobicContact CD2-CD1 3.47Å; W996-I1005 VanDerWaalsContact CD2-CD1 3.47Å; W996-I1005 HydrophobicContact CE3-CD1 3.02Å; W996-I1005 HydrophobicContact CE3-CG1 4.42Å; W996-I1005 HydrophobicContact CG-CD1 4.27Å; W996-I1005 HydrophobicContact CH2-CD1 3.95Å; W996-I1005 HydrophobicContact CH2-CG2 3.81Å; W996-I1005 HydrophobicContact CZ2-CD1 4.33Å; W996-I1005 HydrophobicContact CZ3-CB 4.44Å; W996-I1005 HydrophobicContact CZ3-CD1 3.31Å; W996-I1005 HydrophobicContact CZ3-CG1 4.41Å; W996-I1005 HydrophobicContact CZ3-CG2 3.69Å; M1000-I1005 HydrophobicContact CB-CD1 3.83Å; M1000-I1005 HydrophobicContact CB-CG1 4.2Å; M1000-I1005 HydrophobicContact CE-CD1 3.95Å; M1000-I1005 HydrophobicContact CG-CD1 4.15Å; M1000-I1005 HydrophobicContact CG-CG1 4.32Å; L1003-I1005 PolarHBondContact O-N 2.82Å; L1003-I1005 VanDerWaalsContact O-N 3.11Å; I1005-R1007 PolarHBondContact O-N 3.43Å; I1005-L1009 HydrophobicContact CG2-CB 4.07Å; I1005-L1009 HydrophobicContact CG2-CD1 4.18Å
1006	P	89.8	Confident	88.9	Confident	21 Å²	21	32 Å²	32	14%	0.136	16%	0.162	C	C	.	.			trans	-48.1	131.5	176	-28	33.9	0	0	0	112.2	Y1008 L1009 N1010 D1097	P1006-Y1008 VanDerWaalsContact C-N 3.26Å; P1006-Y1008 HydrophobicContact CB-CD1 3.78Å; P1006-Y1008 HydrophobicContact CB-CE1 3.28Å; P1006-Y1008 HydrophobicContact CB-CE2 4.32Å; P1006-Y1008 HydrophobicContact CB-CG 4.48Å; P1006-Y1008 HydrophobicContact CG-CE1 4.24Å; P1006-Y1008 PolarHBondContact O-N 2.96Å; P1006-L1009 HydrophobicContact CB-CD1 4.29Å; P1006-L1009 HydrophobicContact CG-CD1 4.28Å; P1006-L1009 WeakPolarHBondContact O-CB 3.3Å; P1006-L1009 PolarHBondContact O-N 2.56Å; P1006-N1010 PolarHBondContact O-N 3.03Å; P1006-D1097 HydrophobicContact CB-CB 4.28Å
1007	R	88.7	Confident	89.3	Confident	40 Å²	40	27.5 Å²	27.5	15%	0.151	15%	0.147	C	C	.	.	H	α-helix	trans	-65	-30.5	-168.2	-68.3	168.4	-80.7	162.2	10.2	112.4	I1005 L1009 N1010 F1011 Y1088 H1092 Q1095 D1097	I1005-R1007 PolarHBondContact O-N 3.43Å; R1007-L1009 PolarHBondContact O-N 3.33Å; R1007-N1010 PolarHBondContact O-N 3.42Å; R1007-F1011 HydrophobicContact CB-CD2 3.82Å; R1007-F1011 HydrophobicContact CB-CE2 3.65Å; R1007-F1011 HydrophobicContact CB-CZ 4.34Å; R1007-F1011 HydrophobicContact CG-CD2 4.31Å; R1007-F1011 HydrophobicContact CG-CE2 3.62Å; R1007-F1011 HydrophobicContact CG-CZ 3.96Å; R1007-F1011 PolarHBondContact O-N 3.46Å; R1007-Y1088 HydrophobicContact CB-CE2 4.44Å; R1007-Y1088 WeakPolarHBondContact CB-OH 3.44Å; R1007-Y1088 WeakPolarHBondContact CD-OH 3.4Å; R1007-Y1088 PolarHBondContact NE-OH 3.46Å; R1007-Y1088 PolarHBondContact NH1-OH 3.07Å; R1007-Y1088 VanDerWaalsContact NH1-OH 3.14Å; R1007-Y1088 PolarHBondContact NH2-OH 3.49Å; R1007-H1092 PolarHBondContact NH1-CE1 3.42Å; R1007-H1092 VanDerWaalsContact NH1-CE1 3.32Å; R1007-H1092 PolarHBondContact NH1-ND1 2.68Å; R1007-H1092 VanDerWaalsContact NH1-ND1 3.17Å; R1007-Q1095 PolarHBondContact NH2-O 3.32Å; R1007-D1097 WeakPolarHBondContact CB-OD2 3.32Å; R1007-D1097 IonicContact CZ-OD1 3.75Å; R1007-D1097 VanDerWaalsContact CZ-OD1 3.24Å; R1007-D1097 IonicContact NE-OD1 2.74Å; R1007-D1097 PolarHBondContact NE-OD1 2.59Å; R1007-D1097 IonicContact NE-OD2 3.22Å; R1007-D1097 IonicContact NH2-OD1 3.22Å; R1007-D1097 PolarHBondContact NH2-OD1 3.32Å; R1007-D1097 IonicContact NH2-OD2 3.67Å
1008	Y	88.3	Confident	89.8	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.1	-29.8	172.1	63.8	-96.7	0	0	0	113.7	P1006 D1097 S1098 N1107 L1110 F1111	P1006-Y1008 VanDerWaalsContact C-N 3.26Å; P1006-Y1008 HydrophobicContact CB-CD1 3.78Å; P1006-Y1008 HydrophobicContact CB-CE1 3.28Å; P1006-Y1008 HydrophobicContact CB-CE2 4.32Å; P1006-Y1008 HydrophobicContact CB-CG 4.48Å; P1006-Y1008 HydrophobicContact CG-CE1 4.24Å; P1006-Y1008 PolarHBondContact O-N 2.96Å; Y1008-D1097 HydrophobicContact CD1-CB 3.77Å; Y1008-D1097 HydrophobicContact CE1-CB 3.79Å; Y1008-S1098 PolarHBondContact OH-O 2.79Å; Y1008-S1098 VanDerWaalsContact OH-O 3.05Å; Y1008-N1107 HydrophobicContact CD1-CB 4.14Å; Y1008-N1107 HydrophobicContact CE1-CB 4.17Å; Y1008-L1110 HydrophobicContact CD2-CB 4.02Å; Y1008-L1110 HydrophobicContact CE2-CB 3.72Å; Y1008-L1110 HydrophobicContact CE2-CD1 3.95Å; Y1008-L1110 HydrophobicContact CE2-CG 4.49Å; Y1008-F1111 WeakPolarHBondContact O-CD2 3.42Å
1009	L	89.8	Confident	90.2	Very high	9 Å²	9	21.9 Å²	21.9	5%	0.047	12%	0.119	C	C	.	.	H	α-helix	trans	-83.4	-41.5	172.3	-57.7	170.7	0	0	0	111	W996 I1005 P1006 R1007 L1100 W1114	W996-L1009 HydrophobicContact CH2-CB 4.44Å; I1005-L1009 HydrophobicContact CG2-CB 4.07Å; I1005-L1009 HydrophobicContact CG2-CD1 4.18Å; P1006-L1009 HydrophobicContact CB-CD1 4.29Å; P1006-L1009 HydrophobicContact CG-CD1 4.28Å; P1006-L1009 WeakPolarHBondContact O-CB 3.3Å; P1006-L1009 PolarHBondContact O-N 2.56Å; R1007-L1009 PolarHBondContact O-N 3.33Å; L1009-L1100 HydrophobicContact CD1-CD1 3.87Å; L1009-L1100 HydrophobicContact CD1-CD2 4.02Å; L1009-L1100 HydrophobicContact CD1-CG 4.17Å; L1009-W1114 HydrophobicContact CB-CD2 4.48Å; L1009-W1114 HydrophobicContact CB-CG 4.38Å; L1009-W1114 HydrophobicContact CD2-CB 3.76Å; L1009-W1114 HydrophobicContact CD2-CD2 3.74Å; L1009-W1114 HydrophobicContact CD2-CE3 4.02Å; L1009-W1114 HydrophobicContact CD2-CG 3.62Å; L1009-W1114 PolarHBondContact O-NE1 3.38Å
1010	N	91.1	Very high	90.3	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-70.5	-36.3	-171.7	-161	13.5	0	0	0	113.1	F999 M1000 P1006 R1007	F999-N1010 WeakPolarHBondContact CA-OD1 3.36Å; M1000-N1010 PolarHBondContact N-OD1 3.27Å; M1000-N1010 PolarHBondContact O-ND2 3.34Å; P1006-N1010 PolarHBondContact O-N 3.03Å; R1007-N1010 PolarHBondContact O-N 3.42Å
1011	F	91.7	Very high	90.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-107.3	-27.3	-168.7	-53.9	-25.2	0	0	0	114.5	E880 I881 F999 L1003 R1007 Y1013 L1014 W1015	E880-F1011 HydrophobicContact CB-CD1 4.41Å; E880-F1011 HydrophobicContact CB-CE1 3.89Å; E880-F1011 HydrophobicContact CB-CE2 4.03Å; E880-F1011 HydrophobicContact CB-CZ 3.66Å; E880-F1011 HydrophobicContact CG-CE1 4.2Å; E880-F1011 HydrophobicContact CG-CE2 4.25Å; E880-F1011 HydrophobicContact CG-CZ 3.68Å; E880-F1011 WeakPolarHBondContact OE2-CE2 3.44Å; I881-F1011 HydrophobicContact CD1-CB 3.66Å; I881-F1011 HydrophobicContact CD1-CD1 3.57Å; I881-F1011 HydrophobicContact CD1-CE1 4.43Å; I881-F1011 HydrophobicContact CD1-CG 3.77Å; F999-F1011 HydrophobicContact CE2-CD1 4.13Å; F999-F1011 AromaticContact CE2-CE1 3.86Å; F999-F1011 HydrophobicContact CE2-CE1 3.86Å; L1003-F1011 HydrophobicContact CD2-CE1 3.87Å; L1003-F1011 HydrophobicContact CD2-CZ 3.51Å; R1007-F1011 HydrophobicContact CB-CD2 3.82Å; R1007-F1011 HydrophobicContact CB-CE2 3.65Å; R1007-F1011 HydrophobicContact CB-CZ 4.34Å; R1007-F1011 HydrophobicContact CG-CD2 4.31Å; R1007-F1011 HydrophobicContact CG-CE2 3.62Å; R1007-F1011 HydrophobicContact CG-CZ 3.96Å; R1007-F1011 PolarHBondContact O-N 3.46Å; F1011-Y1013 PolarHBondContact O-N 3.32Å; F1011-L1014 WeakPolarHBondContact O-CB 3.47Å; F1011-L1014 PolarHBondContact O-N 3.31Å; F1011-W1015 HydrophobicContact CB-CD2 4.01Å; F1011-W1015 HydrophobicContact CB-CE3 4.32Å; F1011-W1015 HydrophobicContact CB-CH2 4.13Å; F1011-W1015 HydrophobicContact CB-CZ2 3.79Å; F1011-W1015 HydrophobicContact CB-CZ3 4.38Å; F1011-W1015 HydrophobicContact CD2-CH2 4.17Å; F1011-W1015 AromaticContact CD2-CZ2 3.8Å; F1011-W1015 HydrophobicContact CD2-CZ2 3.8Å; F1011-W1015 HydrophobicContact CG-CZ2 4.23Å; F1011-W1015 PolarHBondContact O-N 2.8Å
1012	G	90.4	Very high	90.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-55.1	-48.8	-169.2	0	0	0	0	0	114.3	L1014 W1015 Y1016 F1111 I1115	G1012-L1014 VanDerWaalsContact C-N 3.31Å; G1012-L1014 PolarHBondContact O-N 2.78Å; G1012-W1015 PolarHBondContact O-N 2.97Å; G1012-Y1016 PolarHBondContact O-N 2.03Å; G1012-F1111 VanDerWaalsContact CA-CE2 3.42Å; G1012-I1115 VanDerWaalsContact C-CG1 3.46Å
1013	Y	90.1	Very high	90.1	Very high	35 Å²	35	17.6 Å²	17.6	14%	0.137	9%	0.094	C	C	.	.	H	α-helix	trans	-63.4	-37	178.1	166.8	-101.3	0	0	0	112.7	Y998 F1011 S1017 L1118 I1119	Y998-Y1013 HydrophobicContact CD1-CE1 4.29Å; F1011-Y1013 PolarHBondContact O-N 3.32Å; Y1013-S1017 WeakPolarHBondContact CE2-OG 3.47Å; Y1013-S1017 WeakPolarHBondContact O-CB 3.37Å; Y1013-S1017 PolarHBondContact O-N 3.35Å; Y1013-S1017 PolarHBondContact O-OG 3.43Å; Y1013-L1118 VanDerWaalsContact CB-CD1 3.48Å; Y1013-L1118 HydrophobicContact CD1-CD1 4.2Å; Y1013-L1118 HydrophobicContact CD2-CB 3.71Å; Y1013-L1118 HydrophobicContact CD2-CD1 4.24Å; Y1013-L1118 HydrophobicContact CE2-CB 4.2Å; Y1013-L1118 HydrophobicContact CG-CB 4.07Å; Y1013-L1118 HydrophobicContact CG-CD1 3.72Å; Y1013-I1119 HydrophobicContact CD2-CD1 4.3Å; Y1013-I1119 HydrophobicContact CD2-CG1 3.82Å; Y1013-I1119 HydrophobicContact CE2-CG1 3.75Å
1014	L	92.7	Very high	90.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-72.9	-42.6	-178.7	-62.4	172.3	0	0	0	111.2	F877 I881 F978 L993 F999 F1011 G1012 Y1016 S1017 V1018	F877-L1014 HydrophobicContact CD2-CD1 4.39Å; F877-L1014 HydrophobicContact CE2-CD1 3.9Å; F877-L1014 HydrophobicContact CE2-CD2 3.95Å; F877-L1014 HydrophobicContact CE2-CG 4.4Å; F877-L1014 HydrophobicContact CZ-CD2 4.45Å; I881-L1014 HydrophobicContact CD1-CB 3.81Å; I881-L1014 HydrophobicContact CD1-CD1 3.81Å; I881-L1014 HydrophobicContact CD1-CG 4.47Å; I881-L1014 HydrophobicContact CG1-CB 4.06Å; I881-L1014 HydrophobicContact CG1-CD1 3.87Å; I881-L1014 HydrophobicContact CG2-CB 3.7Å; F978-L1014 HydrophobicContact CE1-CD2 4.49Å; L993-L1014 HydrophobicContact CD1-CD2 3.72Å; L993-L1014 HydrophobicContact CD2-CD2 4.13Å; L993-L1014 HydrophobicContact CG-CD2 4.13Å; F999-L1014 HydrophobicContact CB-CD1 3.83Å; F999-L1014 HydrophobicContact CD2-CD1 3.44Å; F999-L1014 VanDerWaalsContact CD2-CD1 3.44Å; F999-L1014 HydrophobicContact CE2-CD1 4.3Å; F999-L1014 HydrophobicContact CG-CD1 3.93Å; F1011-L1014 WeakPolarHBondContact O-CB 3.47Å; F1011-L1014 PolarHBondContact O-N 3.31Å; G1012-L1014 VanDerWaalsContact C-N 3.31Å; G1012-L1014 PolarHBondContact O-N 2.78Å; L1014-Y1016 VanDerWaalsContact C-N 3.35Å; L1014-Y1016 PolarHBondContact O-N 3.3Å; L1014-S1017 PolarHBondContact O-N 3.07Å; L1014-V1018 WeakPolarHBondContact O-CB 3.25Å; L1014-V1018 VanDerWaalsContact O-CG2 3.3Å; L1014-V1018 WeakPolarHBondContact O-CG2 3.26Å; L1014-V1018 PolarHBondContact O-N 2.95Å
1015	W	94.7	Very high	90	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.015	6%	0.062	C	C	.	.	H	α-helix	trans	-57.9	-48.1	171.9	-71.4	-23	0	0	0	111	E880 F1011 G1012 S1017 T1019 T1081 I1084 Y1085 Y1088 F1111	E880-W1015 PolarHBondContact O-NE1 2.61Å; F1011-W1015 HydrophobicContact CB-CD2 4.01Å; F1011-W1015 HydrophobicContact CB-CE3 4.32Å; F1011-W1015 HydrophobicContact CB-CH2 4.13Å; F1011-W1015 HydrophobicContact CB-CZ2 3.79Å; F1011-W1015 HydrophobicContact CB-CZ3 4.38Å; F1011-W1015 HydrophobicContact CD2-CH2 4.17Å; F1011-W1015 AromaticContact CD2-CZ2 3.8Å; F1011-W1015 HydrophobicContact CD2-CZ2 3.8Å; F1011-W1015 HydrophobicContact CG-CZ2 4.23Å; F1011-W1015 PolarHBondContact O-N 2.8Å; G1012-W1015 PolarHBondContact O-N 2.97Å; W1015-S1017 PolarHBondContact O-N 3.5Å; W1015-T1019 WeakPolarHBondContact O-CB 3.29Å; W1015-T1019 PolarHBondContact O-N 3.4Å; W1015-T1019 PolarHBondContact O-OG1 3.31Å; W1015-T1081 HydrophobicContact CB-CG2 3.98Å; W1015-I1084 HydrophobicContact CB-CD1 4.26Å; W1015-I1084 HydrophobicContact CD2-CB 4.18Å; W1015-I1084 HydrophobicContact CD2-CG2 3.7Å; W1015-I1084 HydrophobicContact CE3-CB 4.09Å; W1015-I1084 HydrophobicContact CE3-CG2 3.93Å; W1015-I1084 HydrophobicContact CG-CD1 4.16Å; W1015-I1084 HydrophobicContact CG-CG2 4.26Å; W1015-I1084 HydrophobicContact CH2-CG2 4.04Å; W1015-I1084 HydrophobicContact CZ2-CG2 3.82Å; W1015-I1084 HydrophobicContact CZ3-CB 4.43Å; W1015-I1084 HydrophobicContact CZ3-CG2 4.09Å; W1015-Y1085 HydrophobicContact CZ3-CD2 4.09Å; W1015-Y1088 HydrophobicContact CH2-CD2 4.11Å; W1015-Y1088 AromaticContact CH2-CG 3.96Å; W1015-Y1088 HydrophobicContact CH2-CG 3.96Å; W1015-F1111 AromaticContact CE3-CE2 4Å; W1015-F1111 HydrophobicContact CE3-CE2 4Å; W1015-F1111 HydrophobicContact CE3-CZ 4.18Å; W1015-F1111 HydrophobicContact CZ3-CE2 4.01Å; W1015-F1111 HydrophobicContact CZ3-CZ 4.42Å
1016	Y	93.1	Very high	89.7	Confident	5 Å²	5	11.3 Å²	11.3	2%	0.02	6%	0.057	C	C	.	.	H	α-helix	trans	-54.1	-53.2	174.7	173.6	-101.4	0	0	0	111.9	G1012 L1014 T1019 K1020 S1074 A1077 I1078 T1081 I1115 I1119 E1141 I1145	G1012-Y1016 PolarHBondContact O-N 2.03Å; L1014-Y1016 VanDerWaalsContact C-N 3.35Å; L1014-Y1016 PolarHBondContact O-N 3.3Å; Y1016-T1019 PolarHBondContact O-N 2.99Å; Y1016-K1020 HydrophobicContact CE1-CD 4.23Å; Y1016-K1020 VanDerWaalsContact O-CB 3.3Å; Y1016-K1020 WeakPolarHBondContact O-CB 3.23Å; Y1016-K1020 PolarHBondContact O-N 3.49Å; Y1016-S1074 PolarHBondContact OH-OG 3.49Å; Y1016-A1077 HydrophobicContact CD2-CB 3.89Å; Y1016-A1077 HydrophobicContact CE2-CB 3.63Å; Y1016-I1078 HydrophobicContact CD2-CG1 4.04Å; Y1016-I1078 HydrophobicContact CE2-CG1 3.62Å; Y1016-T1081 WeakPolarHBondContact CA-OG1 3.38Å; Y1016-T1081 PolarHBondContact N-OG1 3.11Å; Y1016-I1115 HydrophobicContact CG-CG2 4.34Å; Y1016-I1119 HydrophobicContact CD1-CD1 3.38Å; Y1016-I1119 HydrophobicContact CD1-CG1 4.46Å; Y1016-I1119 HydrophobicContact CE1-CD1 3.39Å; Y1016-I1119 HydrophobicContact CE1-CG1 4.42Å; Y1016-I1119 HydrophobicContact CG-CD1 4.2Å; Y1016-E1141 PolarHBondContact OH-OE1 2.83Å; Y1016-I1145 HydrophobicContact CE1-CD1 4.21Å; Y1016-I1145 WeakPolarHBondContact OH-CG1 3.39Å
1017	S	90.1	Very high	89.1	Confident	14 Å²	14	12 Å²	12	10%	0.098	6%	0.06	C	C	.	.	H	α-helix	trans	-73.7	-38.7	-169.4	-55	0	0	0	0	113	Y1013 L1014 W1015 K1020 I1021	Y1013-S1017 WeakPolarHBondContact CE2-OG 3.47Å; Y1013-S1017 WeakPolarHBondContact O-CB 3.37Å; Y1013-S1017 PolarHBondContact O-N 3.35Å; Y1013-S1017 PolarHBondContact O-OG 3.43Å; L1014-S1017 PolarHBondContact O-N 3.07Å; W1015-S1017 PolarHBondContact O-N 3.5Å; S1017-K1020 PolarHBondContact O-N 3.23Å; S1017-I1021 WeakPolarHBondContact O-CG1 3.11Å; S1017-I1021 PolarHBondContact O-N 2.88Å
1018	V	92.3	Very high	88.6	Confident	1 Å²	1	15.1 Å²	15.1	1%	0.006	8%	0.079	C	C	.	.	H	α-helix	trans	-65.1	-47.3	173.6	174.3	0	0	0	0	109.6	F877 I881 L882 V885 F978 L987 L1014 K1020 I1021 L1022	F877-V1018 HydrophobicContact CZ-CG2 4.38Å; I881-V1018 HydrophobicContact CG2-CB 4.5Å; I881-V1018 HydrophobicContact CG2-CG2 3.91Å; L882-V1018 HydrophobicContact CD1-CG1 4.15Å; V885-V1018 HydrophobicContact CB-CG1 4.42Å; V885-V1018 HydrophobicContact CG1-CG1 4.15Å; V885-V1018 HydrophobicContact CG2-CG1 4.34Å; F978-V1018 HydrophobicContact CE2-CG2 4.36Å; L987-V1018 HydrophobicContact CD2-CG1 4.24Å; L987-V1018 HydrophobicContact CD2-CG2 4.1Å; L1014-V1018 WeakPolarHBondContact O-CB 3.25Å; L1014-V1018 VanDerWaalsContact O-CG2 3.3Å; L1014-V1018 WeakPolarHBondContact O-CG2 3.26Å; L1014-V1018 PolarHBondContact O-N 2.95Å; V1018-K1020 VanDerWaalsContact C-N 3.29Å; V1018-K1020 PolarHBondContact O-N 3.33Å; V1018-I1021 PolarHBondContact O-N 3.05Å; V1018-L1022 HydrophobicContact CG1-CD1 3.79Å; V1018-L1022 HydrophobicContact CG1-CG 4.35Å; V1018-L1022 VanDerWaalsContact O-CG 3.29Å; V1018-L1022 WeakPolarHBondContact O-CG 3.31Å; V1018-L1022 PolarHBondContact O-N 3.37Å
1019	T	93.1	Very high	88	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.9	-42.7	176.9	-58.5	0	0	0	0	111.7	V885 W1015 Y1016 I1021 L1022 S1023 A1077 I1080	V885-T1019 WeakPolarHBondContact CG1-OG1 3.44Å; W1015-T1019 WeakPolarHBondContact O-CB 3.29Å; W1015-T1019 PolarHBondContact O-N 3.4Å; W1015-T1019 PolarHBondContact O-OG1 3.31Å; Y1016-T1019 PolarHBondContact O-N 2.99Å; T1019-I1021 PolarHBondContact O-N 3.08Å; T1019-L1022 PolarHBondContact O-N 3.47Å; T1019-S1023 WeakPolarHBondContact O-CB 3.45Å; T1019-S1023 PolarHBondContact O-N 2.91Å; T1019-S1023 PolarHBondContact O-OG 3.25Å; T1019-A1077 HydrophobicContact CG2-CB 4.29Å; T1019-I1080 HydrophobicContact CG2-CB 3.59Å; T1019-I1080 HydrophobicContact CG2-CD1 3.8Å; T1019-I1080 HydrophobicContact CG2-CG1 4.28Å; T1019-I1080 HydrophobicContact CG2-CG2 3.45Å; T1019-I1080 VanDerWaalsContact CG2-CG2 3.45Å
1020	K	90.8	Very high	87.3	Confident	30 Å²	30	28.3 Å²	28.3	13%	0.13	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-49.7	176.4	-169.2	-173.2	176.5	-169	0	110.8	Y1016 S1017 V1018 L1022 S1023 Q1073 S1074 A1077 E1141	Y1016-K1020 HydrophobicContact CE1-CD 4.23Å; Y1016-K1020 VanDerWaalsContact O-CB 3.3Å; Y1016-K1020 WeakPolarHBondContact O-CB 3.23Å; Y1016-K1020 PolarHBondContact O-N 3.49Å; S1017-K1020 PolarHBondContact O-N 3.23Å; V1018-K1020 VanDerWaalsContact C-N 3.29Å; V1018-K1020 PolarHBondContact O-N 3.33Å; K1020-L1022 VanDerWaalsContact C-N 3.28Å; K1020-L1022 PolarHBondContact O-N 2.96Å; K1020-S1023 WeakPolarHBondContact CA-OG 3.37Å; K1020-S1023 PolarHBondContact O-N 3.1Å; K1020-S1023 PolarHBondContact O-OG 3.48Å; K1020-Q1073 HydrophobicContact CG-CG 3.78Å; K1020-Q1073 WeakPolarHBondContact O-CG 3.39Å; K1020-Q1073 PolarHBondContact O-NE2 3.33Å; K1020-S1074 WeakPolarHBondContact CE-OG 3.39Å; K1020-A1077 HydrophobicContact CB-CB 3.69Å; K1020-A1077 HydrophobicContact CG-CB 4.18Å; K1020-E1141 VanDerWaalsContact CE-OE1 3.31Å; K1020-E1141 WeakPolarHBondContact CE-OE1 3.46Å; K1020-E1141 IonicContact NZ-OE1 3.4Å; K1020-E1141 PolarHBondContact NZ-OE1 3.32Å; K1020-E1141 IonicContact NZ-OE2 2.77Å; K1020-E1141 PolarHBondContact NZ-OE2 2.87Å
1021	I	88.2	Confident	86.5	Confident	36 Å²	36	28.5 Å²	28.5	19%	0.185	13%	0.134	C	C	.	.	H	α-helix	trans	-56.6	-46.1	177.4	-69.5	171.2	0	0	0	110.9	F978 Y980 S1017 V1018 T1019 S1024	F978-I1021 HydrophobicContact CD2-CD1 3.47Å; F978-I1021 VanDerWaalsContact CD2-CD1 3.47Å; F978-I1021 HydrophobicContact CE2-CD1 3.45Å; F978-I1021 VanDerWaalsContact CE2-CD1 3.45Å; Y980-I1021 HydrophobicContact CG-CG2 4.18Å; S1017-I1021 WeakPolarHBondContact O-CG1 3.11Å; S1017-I1021 PolarHBondContact O-N 2.88Å; V1018-I1021 PolarHBondContact O-N 3.05Å; T1019-I1021 PolarHBondContact O-N 3.08Å; I1021-S1024 WeakPolarHBondContact O-CB 3.46Å; I1021-S1024 PolarHBondContact O-N 3.1Å; I1021-S1024 PolarHBondContact O-OG 3.36Å
1022	L	89.6	Confident	85.6	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-72.3	-30.1	-177.2	-60.8	179.8	0	0	0	113.6	L882 V885 M889 M913 V1018 T1019 K1020 S1024 L1025	L882-L1022 HydrophobicContact CD1-CD1 4.39Å; V885-L1022 HydrophobicContact CG1-CD1 3.86Å; M889-L1022 HydrophobicContact CE-CB 3.59Å; M889-L1022 HydrophobicContact CE-CD1 3.3Å; M889-L1022 HydrophobicContact CE-CG 3.98Å; M889-L1022 HydrophobicContact SD-CB 3.45Å; M889-L1022 WeakPolarHBondContact SD-CB 3.3Å; M889-L1022 HydrophobicContact SD-CD1 4.09Å; M889-L1022 HydrophobicContact SD-CG 4.38Å; M913-L1022 HydrophobicContact CE-CD1 4.5Å; M913-L1022 HydrophobicContact CE-CD2 3.15Å; M913-L1022 HydrophobicContact CE-CG 4.43Å; M913-L1022 HydrophobicContact SD-CD1 4.21Å; M913-L1022 HydrophobicContact SD-CD2 3.47Å; M913-L1022 WeakPolarHBondContact SD-CD2 3.33Å; M913-L1022 HydrophobicContact SD-CG 4.46Å; V1018-L1022 HydrophobicContact CG1-CD1 3.79Å; V1018-L1022 HydrophobicContact CG1-CG 4.35Å; V1018-L1022 VanDerWaalsContact O-CG 3.29Å; V1018-L1022 WeakPolarHBondContact O-CG 3.31Å; V1018-L1022 PolarHBondContact O-N 3.37Å; T1019-L1022 PolarHBondContact O-N 3.47Å; K1020-L1022 VanDerWaalsContact C-N 3.28Å; K1020-L1022 PolarHBondContact O-N 2.96Å; L1022-S1024 PolarHBondContact O-N 3.1Å; L1022-L1025 HydrophobicContact CD2-CD1 4.07Å; L1022-L1025 VanDerWaalsContact O-CB 3.23Å; L1022-L1025 WeakPolarHBondContact O-CB 3.41Å; L1022-L1025 PolarHBondContact O-N 2.78Å
1023	S	88	Confident	84.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.8	-24.9	174.9	61.7	0	0	0	0	113.2	T1019 K1020 L1025 F1026 I1027 Q1073	T1019-S1023 WeakPolarHBondContact O-CB 3.45Å; T1019-S1023 PolarHBondContact O-N 2.91Å; T1019-S1023 PolarHBondContact O-OG 3.25Å; K1020-S1023 WeakPolarHBondContact CA-OG 3.37Å; K1020-S1023 PolarHBondContact O-N 3.1Å; K1020-S1023 PolarHBondContact O-OG 3.48Å; S1023-L1025 PolarHBondContact O-N 3.29Å; S1023-F1026 WeakPolarHBondContact O-CB 3.44Å; S1023-F1026 PolarHBondContact O-N 3.23Å; S1023-F1026 VanDerWaalsContact O-N 3.13Å; S1023-I1027 WeakPolarHBondContact O-CG1 3.39Å; S1023-I1027 PolarHBondContact O-N 3.4Å; S1023-Q1073 WeakPolarHBondContact OG-CG 3.22Å; S1023-Q1073 PolarHBondContact OG-O 2.76Å
1024	S	85.2	Confident	83.5	Confident	33 Å²	33	32.3 Å²	32.3	23%	0.231	16%	0.157	C	C	.	.	H	α-helix	trans	-59.1	-31	171.1	72.3	0	0	0	0	112.7	I1021 L1022 I1027 N1028	I1021-S1024 WeakPolarHBondContact O-CB 3.46Å; I1021-S1024 PolarHBondContact O-N 3.1Å; I1021-S1024 PolarHBondContact O-OG 3.36Å; L1022-S1024 PolarHBondContact O-N 3.1Å; S1024-I1027 PolarHBondContact O-N 2.87Å; S1024-N1028 WeakPolarHBondContact O-CB 3.24Å; S1024-N1028 PolarHBondContact O-N 3.24Å; S1024-N1028 PolarHBondContact O-ND2 3.42Å
1025	L	84.2	Confident	82.3	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-68.6	-40.5	176.7	-56.2	174.1	0	0	0	111.4	L906 M913 Y980 L1022 S1023 I1027 N1028 D1029	L906-L1025 HydrophobicContact CD1-CB 3.65Å; L906-L1025 HydrophobicContact CD1-CD1 4.34Å; M913-L1025 HydrophobicContact CE-CD1 4.26Å; Y980-L1025 HydrophobicContact CE1-CD1 4.05Å; Y980-L1025 HydrophobicContact CE1-CD2 3.92Å; Y980-L1025 HydrophobicContact CE1-CG 4.44Å; L1022-L1025 HydrophobicContact CD2-CD1 4.07Å; L1022-L1025 VanDerWaalsContact O-CB 3.23Å; L1022-L1025 WeakPolarHBondContact O-CB 3.41Å; L1022-L1025 PolarHBondContact O-N 2.78Å; S1023-L1025 PolarHBondContact O-N 3.29Å; L1025-I1027 VanDerWaalsContact C-N 3.32Å; L1025-I1027 PolarHBondContact O-N 2.99Å; L1025-N1028 PolarHBondContact O-N 3.13Å; L1025-D1029 WeakPolarHBondContact O-CB 3.48Å; L1025-D1029 PolarHBondContact O-N 3.44Å
1026	F	81.2	Confident	81	Confident	5 Å²	5	36.8 Å²	36.8	2%	0.022	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-41.3	174.6	-66.5	-49	0	0	0	112.6	M889 L893 L906 I910 S1023 R1030 C1031 L1032 L1076	M889-F1026 HydrophobicContact CB-CE2 4.25Å; M889-F1026 HydrophobicContact CB-CZ 3.83Å; M889-F1026 HydrophobicContact CG-CE2 3.79Å; M889-F1026 HydrophobicContact CG-CZ 3.9Å; M889-F1026 HydrophobicContact SD-CE2 3.48Å; M889-F1026 WeakPolarHBondContact SD-CE2 3.42Å; M889-F1026 HydrophobicContact SD-CZ 3.79Å; L893-F1026 HydrophobicContact CD1-CE1 3.66Å; L893-F1026 HydrophobicContact CD1-CZ 4.29Å; L893-F1026 HydrophobicContact CD2-CD1 3.94Å; L893-F1026 HydrophobicContact CD2-CE1 3.51Å; L893-F1026 HydrophobicContact CG-CD1 4.32Å; L893-F1026 HydrophobicContact CG-CE1 3.41Å; L893-F1026 VanDerWaalsContact CG-CE1 3.41Å; L893-F1026 HydrophobicContact CG-CZ 4.09Å; L906-F1026 HydrophobicContact CD2-CD1 3.55Å; L906-F1026 HydrophobicContact CD2-CE1 3.88Å; L906-F1026 HydrophobicContact CG-CE1 4.5Å; I910-F1026 HydrophobicContact CD1-CE1 3.69Å; I910-F1026 HydrophobicContact CD1-CZ 3.71Å; S1023-F1026 WeakPolarHBondContact O-CB 3.44Å; S1023-F1026 PolarHBondContact O-N 3.23Å; S1023-F1026 VanDerWaalsContact O-N 3.13Å; F1026-R1030 WeakPolarHBondContact O-CA 3.09Å; F1026-R1030 PolarHBondContact O-N 3.06Å; F1026-C1031 PolarHBondContact O-N 3.05Å; F1026-L1032 HydrophobicContact CB-CB 4.39Å; F1026-L1076 HydrophobicContact CD2-CD2 3.77Å
1027	I	78	Confident	79.8	Confident	36 Å²	36	36.9 Å²	36.9	19%	0.185	19%	0.186	C	C	.	.	H	α-helix	trans	-69.5	-45.4	-177.8	-61.1	174.2	0	0	0	110.3	S1023 S1024 L1025 R1030 P1069 F1072 Q1073	S1023-I1027 WeakPolarHBondContact O-CG1 3.39Å; S1023-I1027 PolarHBondContact O-N 3.4Å; S1024-I1027 PolarHBondContact O-N 2.87Å; L1025-I1027 VanDerWaalsContact C-N 3.32Å; L1025-I1027 PolarHBondContact O-N 2.99Å; I1027-R1030 PolarHBondContact O-N 3.49Å; I1027-P1069 HydrophobicContact CG2-CB 4.25Å; I1027-F1072 HydrophobicContact CD1-CB 4.42Å; I1027-F1072 HydrophobicContact CD1-CD1 3.61Å; I1027-F1072 HydrophobicContact CD1-CE1 4.35Å; I1027-F1072 HydrophobicContact CD1-CG 4.42Å; I1027-F1072 HydrophobicContact CG1-CD1 3.59Å; I1027-F1072 HydrophobicContact CG1-CE1 3.88Å; I1027-Q1073 HydrophobicContact CD1-CB 3.81Å; I1027-Q1073 HydrophobicContact CD1-CG 4.31Å
1028	N	77.5	Confident	78.8	Confident	105 Å²	105	36.4 Å²	36.4	56%	0.561	18%	0.182	S	C	*	.	H	α-helix	trans	-65.9	-42.4	-178.7	-70.1	-14.1	0	0	0	112.1	S1024 L1025	S1024-N1028 WeakPolarHBondContact O-CB 3.24Å; S1024-N1028 PolarHBondContact O-N 3.24Å; S1024-N1028 PolarHBondContact O-ND2 3.42Å; L1025-N1028 PolarHBondContact O-N 3.13Å
1029	D	76.6	Confident	77.4	Confident	60 Å²	60	42 Å²	42	32%	0.321	21%	0.208	S	C	.	.	H	α-helix	trans	-88.2	-6	-178.3	-67.4	-31.5	0	0	0	113.5	L906 L1025 C1031	L906-D1029 HydrophobicContact CD2-CB 4.25Å; L1025-D1029 WeakPolarHBondContact O-CB 3.48Å; L1025-D1029 PolarHBondContact O-N 3.44Å; D1029-C1031 VanDerWaalsContact C-N 3.33Å; D1029-C1031 PolarHBondContact O-N 3.42Å
1030	R	74.2	Confident	75.7	Confident	226 Å²	226	43 Å²	43	85%	0.853	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	42.5	-178.8	-58.1	-174.8	-175.9	179.5	1	114	F1026 I1027	F1026-R1030 WeakPolarHBondContact O-CA 3.09Å; F1026-R1030 PolarHBondContact O-N 3.06Å; I1027-R1030 PolarHBondContact O-N 3.49Å
1031	C	74.4	Confident	74.1	Confident	4 Å²	4	45.7 Å²	45.7	3%	0.027	23%	0.232	C	C	.	.			trans	-92.9	5.3	-177.3	-76.9	0	0	0	0	115	L893 S896 C903 L906 F1026 D1029	L893-C1031 HydrophobicContact CD2-CB 3.94Å; S896-C1031 WeakPolarHBondContact CB-O 3.29Å; S896-C1031 PolarHBondContact OG-O 3.49Å; C903-C1031 WeakPolarHBondContact CA-SG 3.47Å; C903-C1031 HydrophobicContact CB-CB 3.9Å; C903-C1031 WeakPolarHBondContact CB-SG 2.9Å; C903-C1031 WeakPolarHBondContact SG-CA 3.49Å; C903-C1031 WeakPolarHBondContact SG-CB 3.16Å; C903-C1031 CovalentContact SG-SG 2.05Å; C903-C1031 PolarHBondContact SG-SG 3.12Å; L906-C1031 HydrophobicContact CD2-CB 3.84Å; F1026-C1031 PolarHBondContact O-N 3.05Å; D1029-C1031 VanDerWaalsContact C-N 3.33Å; D1029-C1031 PolarHBondContact O-N 3.42Å
1032	L	73.4	Confident	72.8	Confident	35 Å²	35	53.1 Å²	53.1	18%	0.183	27%	0.265	C	S	.	.			trans	-111.1	119.5	-173.9	-174.2	67.8	0	0	0	111.1	F1026 F1037 F1072 L1076	F1026-L1032 HydrophobicContact CB-CB 4.39Å; L1032-F1037 HydrophobicContact CD1-CD2 3.96Å; L1032-F1072 HydrophobicContact CD2-CE1 4.14Å; L1032-F1072 HydrophobicContact CD2-CZ 3.7Å; L1032-L1076 HydrophobicContact CD2-CD1 3.8Å; L1032-L1076 HydrophobicContact CD2-CD2 3.55Å; L1032-L1076 HydrophobicContact CD2-CG 4.31Å
1033	D	70.6	Confident	72	Confident	67 Å²	67	56.5 Å²	56.5	36%	0.358	28%	0.284	S	S	.	.			trans	-101.5	117.1	165	-170.7	-19.2	0	0	0	109.6	S1035 I1036 F1037	D1033-S1035 PolarHBondContact O-N 3.35Å; D1033-S1035 WeakPolarHBondContact OD1-CB 3.33Å; D1033-S1035 PolarHBondContact OD1-N 3.34Å; D1033-S1035 PolarHBondContact OD1-OG 3.34Å; D1033-S1035 PolarHBondContact OD2-OG 3.23Å; D1033-I1036 HydrophobicContact CB-CB 4.28Å; D1033-I1036 HydrophobicContact CB-CD1 3.91Å; D1033-I1036 HydrophobicContact CB-CG1 4.07Å; D1033-I1036 PolarHBondContact O-N 3.09Å; D1033-F1037 PolarHBondContact O-N 3.03Å; D1033-F1037 VanDerWaalsContact O-N 3.09Å
1034	V	66.2	Low	71.4	Confident	13 Å²	13	63.8 Å²	63.8	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-52.8	-42.7	175.8	-176.6	0	0	0	0	112.3	I1036 F1037 W1062 L1063	V1034-I1036 VanDerWaalsContact C-N 3.3Å; V1034-I1036 PolarHBondContact O-N 3.22Å; V1034-F1037 VanDerWaalsContact O-CB 3.24Å; V1034-F1037 WeakPolarHBondContact O-CB 3.03Å; V1034-F1037 PolarHBondContact O-N 3.44Å; V1034-W1062 HydrophobicContact CB-CE3 3.49Å; V1034-W1062 VanDerWaalsContact CB-CE3 3.49Å; V1034-W1062 HydrophobicContact CB-CZ3 3.46Å; V1034-W1062 VanDerWaalsContact CB-CZ3 3.46Å; V1034-W1062 HydrophobicContact CG1-CB 4.35Å; V1034-W1062 HydrophobicContact CG1-CD2 3.6Å; V1034-W1062 HydrophobicContact CG1-CE3 2.95Å; V1034-W1062 HydrophobicContact CG1-CG 4.24Å; V1034-W1062 HydrophobicContact CG1-CH2 4.17Å; V1034-W1062 HydrophobicContact CG1-CZ3 3.27Å; V1034-W1062 HydrophobicContact CG2-CE3 3.26Å; V1034-W1062 HydrophobicContact CG2-CZ3 3.32Å; V1034-L1063 HydrophobicContact CG2-CD2 4.05Å
1035	S	66.2	Low	71.2	Confident	55 Å²	55	62.4 Å²	62.4	39%	0.385	31%	0.307	S	S	.	.	H	α-helix	trans	-69.6	-36.2	-169.7	66.4	0	0	0	0	110.6	D1033 Q1039	D1033-S1035 PolarHBondContact O-N 3.35Å; D1033-S1035 WeakPolarHBondContact OD1-CB 3.33Å; D1033-S1035 PolarHBondContact OD1-N 3.34Å; D1033-S1035 PolarHBondContact OD1-OG 3.34Å; D1033-S1035 PolarHBondContact OD2-OG 3.23Å; S1035-Q1039 WeakPolarHBondContact O-CG 3.02Å; S1035-Q1039 PolarHBondContact O-NE2 2.96Å
1036	I	67.4	Low	70.8	Confident	44 Å²	44	62.5 Å²	62.5	23%	0.226	31%	0.308	C	S	.	.	H	α-helix	trans	-79.2	-28.1	177.9	-55.7	175.8	0	0	0	111.2	R895 D1033 V1034 Y1038 Q1039	R895-I1036 HydrophobicContact CB-CG2 4.02Å; R895-I1036 WeakPolarHBondContact O-CG2 3.44Å; D1033-I1036 HydrophobicContact CB-CB 4.28Å; D1033-I1036 HydrophobicContact CB-CD1 3.91Å; D1033-I1036 HydrophobicContact CB-CG1 4.07Å; D1033-I1036 PolarHBondContact O-N 3.09Å; V1034-I1036 VanDerWaalsContact C-N 3.3Å; V1034-I1036 PolarHBondContact O-N 3.22Å; I1036-Y1038 PolarHBondContact O-N 3.11Å; I1036-Q1039 PolarHBondContact O-N 3.3Å
1037	F	68.2	Low	70.5	Confident	6 Å²	6	67.5 Å²	67.5	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-50.2	-36.5	-179.6	-174.4	-92.2	0	0	0	113.4	L892 L1032 D1033 V1034 W1062 L1076 E1079 I1080	L892-F1037 HydrophobicContact CD1-CD2 4.21Å; L892-F1037 HydrophobicContact CD1-CE2 3.48Å; L892-F1037 VanDerWaalsContact CD1-CE2 3.48Å; L892-F1037 HydrophobicContact CD1-CZ 4.17Å; L892-F1037 HydrophobicContact CD2-CD2 3.63Å; L892-F1037 HydrophobicContact CD2-CE2 3.59Å; L892-F1037 HydrophobicContact CD2-CG 4.34Å; L892-F1037 HydrophobicContact CD2-CZ 4.23Å; L892-F1037 HydrophobicContact CG-CD2 4.43Å; L892-F1037 HydrophobicContact CG-CE2 4.12Å; L1032-F1037 HydrophobicContact CD1-CD2 3.96Å; D1033-F1037 PolarHBondContact O-N 3.03Å; D1033-F1037 VanDerWaalsContact O-N 3.09Å; V1034-F1037 VanDerWaalsContact O-CB 3.24Å; V1034-F1037 WeakPolarHBondContact O-CB 3.03Å; V1034-F1037 PolarHBondContact O-N 3.44Å; F1037-W1062 HydrophobicContact CG-CH2 4.5Å; F1037-L1076 HydrophobicContact CD2-CD1 4.21Å; F1037-L1076 HydrophobicContact CE2-CD1 3.49Å; F1037-L1076 VanDerWaalsContact CE2-CD1 3.49Å; F1037-L1076 HydrophobicContact CZ-CD1 3.93Å; F1037-E1079 HydrophobicContact CE1-CG 3.49Å; F1037-E1079 VanDerWaalsContact CE1-CG 3.49Å; F1037-E1079 HydrophobicContact CZ-CG 3.71Å; F1037-I1080 HydrophobicContact CE2-CG1 4.37Å; F1037-I1080 HydrophobicContact CZ-CG1 4.27Å
1038	Y	69.4	Low	70.7	Confident	5 Å²	5	68.8 Å²	68.8	2%	0.02	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	4	179.5	-60	-70.5	0	0	0	114.3	I1036 V1049 L1053 F1058 R1083 P1153	I1036-Y1038 PolarHBondContact O-N 3.11Å; Y1038-V1049 HydrophobicContact CD1-CG1 3.3Å; Y1038-V1049 HydrophobicContact CE1-CG1 4.01Å; Y1038-V1049 HydrophobicContact CG-CG1 3.7Å; Y1038-L1053 HydrophobicContact CD2-CD1 3.72Å; Y1038-L1053 HydrophobicContact CD2-CD2 3.78Å; Y1038-L1053 HydrophobicContact CD2-CG 4.31Å; Y1038-L1053 HydrophobicContact CE2-CD2 3.99Å; Y1038-L1053 HydrophobicContact CG-CD1 3.62Å; Y1038-L1053 HydrophobicContact CG-CD2 4.36Å; Y1038-L1053 HydrophobicContact CG-CG 4.45Å; Y1038-F1058 HydrophobicContact CE2-CE1 4.02Å; Y1038-R1083 VanDerWaalsContact CD1-NH2 3.29Å; Y1038-P1153 HydrophobicContact CE1-CG 3.76Å
1039	Q	63.2	Low	70.7	Confident	117 Å²	117	63.8 Å²	63.8	55%	0.547	31%	0.31	S	S	.	.			trans	-90.9	106.1	172	-68.4	174.9	16.5	0	0	108.6	S1035 I1036	S1035-Q1039 WeakPolarHBondContact O-CG 3.02Å; S1035-Q1039 PolarHBondContact O-NE2 2.96Å; I1036-Q1039 PolarHBondContact O-N 3.3Å
1040	G	58.2	Low	70.6	Confident	22 Å²	22	66.9 Å²	66.9	23%	0.227	32%	0.318	C	S	.	.			trans	139.5	129.1	164.1	0	0	0	0	0	113.9	R895	R895-G1040 PolarHBondContact NH1-O 3.02Å; R895-G1040 PolarHBondContact NH2-O 3.31Å
1041	E	55.9	Low	70.7	Confident	87 Å²	87	64 Å²	64	41%	0.407	31%	0.311	S	S	.	.			trans	94	147.2	-170.6	-69.9	155.1	-151	0	0	114.8	K891 R895 D1046	K891-E1041 WeakPolarHBondContact CE-OE1 3.26Å; K891-E1041 IonicContact NZ-OE1 2.85Å; K891-E1041 PolarHBondContact NZ-OE1 3.23Å; K891-E1041 IonicContact NZ-OE2 2.69Å; K891-E1041 PolarHBondContact NZ-OE2 2.64Å; R895-E1041 IonicContact NH2-OE1 3.65Å; R895-E1041 PolarHBondContact NH2-OE1 2.9Å; R895-E1041 IonicContact NH2-OE2 2.94Å; E1041-D1046 WeakPolarHBondContact CA-OD2 3.14Å; E1041-D1046 WeakPolarHBondContact CB-OD2 3.41Å; E1041-D1046 VanDerWaalsContact O-CB 3.32Å; E1041-D1046 WeakPolarHBondContact O-CB 3.35Å; E1041-D1046 VanDerWaalsContact O-OD2 3.07Å
1042	Q	60.7	Low	70.7	Confident	191 Å²	191	65 Å²	65	89%	0.893	32%	0.315	S	S	*	.			trans	-104.1	25.2	-173.6	-74.5	-172	-18	0	0	110.9
1043	D	72.6	Confident	70.5	Confident	74 Å²	74	64.6 Å²	64.6	40%	0.396	31%	0.313	S	S	.	.	S	Bend	trans	-74.8	158.2	179.9	-71.8	-1.1	0	0	0	110.9	F1045 D1046 L1047 K1086	D1043-F1045 PolarHBondContact O-N 2.86Å; D1043-D1046 PolarHBondContact N-OD2 2.99Å; D1043-D1046 PolarHBondContact O-N 3.44Å; D1043-L1047 PolarHBondContact O-N 3.18Å; D1043-L1047 VanDerWaalsContact O-N 3.12Å; D1043-K1086 IonicContact OD2-NZ 3.61Å; D1043-K1086 PolarHBondContact OD2-NZ 2.05Å
1044	E	77.1	Confident	70.3	Confident	153 Å²	153	68.3 Å²	68.3	72%	0.715	33%	0.332	S	S	*	.	H	α-helix	trans	-51.8	-38.7	172.5	-173.8	-176.9	179.8	0	0	112.1	L1047 Y1048	E1044-L1047 PolarHBondContact O-N 3.43Å; E1044-Y1048 PolarHBondContact O-N 3.44Å
1045	F	80	Confident	70.3	Confident	3 Å²	3	71.8 Å²	71.8	1%	0.013	35%	0.351	C	S	.	.	H	α-helix	trans	-62.8	-40.7	174.7	177.5	-103.8	0	0	0	112.6	D1043 L1047 Y1048 V1049 K1086 P1153 T1154 W1157	D1043-F1045 PolarHBondContact O-N 2.86Å; F1045-L1047 VanDerWaalsContact C-N 3.31Å; F1045-L1047 PolarHBondContact O-N 2.98Å; F1045-Y1048 HydrophobicContact CD2-CD1 4.5Å; F1045-Y1048 HydrophobicContact CE2-CD1 4.45Å; F1045-Y1048 WeakPolarHBondContact O-CB 3.34Å; F1045-Y1048 PolarHBondContact O-N 3.32Å; F1045-V1049 HydrophobicContact CD1-CG2 3.95Å; F1045-V1049 HydrophobicContact CD2-CG2 4.31Å; F1045-V1049 HydrophobicContact CE1-CG2 3.46Å; F1045-V1049 VanDerWaalsContact CE1-CG2 3.46Å; F1045-V1049 HydrophobicContact CE2-CG2 3.84Å; F1045-V1049 HydrophobicContact CG-CG2 4.36Å; F1045-V1049 HydrophobicContact CZ-CG2 3.39Å; F1045-V1049 VanDerWaalsContact O-CG2 3.26Å; F1045-V1049 WeakPolarHBondContact O-CG2 3.48Å; F1045-V1049 PolarHBondContact O-N 3.05Å; F1045-K1086 HydrophobicContact CB-CD 4.23Å; F1045-K1086 HydrophobicContact CD1-CD 4.25Å; F1045-K1086 HydrophobicContact CG-CD 4.18Å; F1045-P1153 HydrophobicContact CE2-CB 4.47Å; F1045-P1153 HydrophobicContact CZ-CB 4.18Å; F1045-T1154 HydrophobicContact CE1-CG2 4.07Å; F1045-T1154 HydrophobicContact CE2-CG2 3.94Å; F1045-T1154 HydrophobicContact CZ-CG2 3.37Å; F1045-W1157 HydrophobicContact CD2-CB 4.06Å; F1045-W1157 AromaticContact CD2-CD2 3.89Å; F1045-W1157 HydrophobicContact CD2-CD2 3.89Å; F1045-W1157 HydrophobicContact CD2-CE3 4.24Å; F1045-W1157 AromaticContact CD2-CG 3.78Å; F1045-W1157 HydrophobicContact CD2-CG 3.78Å; F1045-W1157 HydrophobicContact CE2-CB 3.91Å; F1045-W1157 HydrophobicContact CE2-CG 4.16Å
1046	D	75.7	Confident	70.1	Confident	4 Å²	4	73 Å²	73	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-69.7	-33	180	-63.3	-41.2	0	0	0	111.3	E1041 D1043 V1049 R1050	E1041-D1046 WeakPolarHBondContact CA-OD2 3.14Å; E1041-D1046 WeakPolarHBondContact CB-OD2 3.41Å; E1041-D1046 VanDerWaalsContact O-CB 3.32Å; E1041-D1046 WeakPolarHBondContact O-CB 3.35Å; E1041-D1046 VanDerWaalsContact O-OD2 3.07Å; D1043-D1046 PolarHBondContact N-OD2 2.99Å; D1043-D1046 PolarHBondContact O-N 3.44Å; D1046-V1049 PolarHBondContact O-N 3.49Å; D1046-R1050 WeakPolarHBondContact O-CB 3.04Å; D1046-R1050 VanDerWaalsContact O-CG 3.29Å; D1046-R1050 WeakPolarHBondContact O-CG 3.41Å; D1046-R1050 PolarHBondContact O-N 2.91Å
1047	L	76.2	Confident	70.4	Confident	111 Å²	111	77.5 Å²	77.5	58%	0.581	38%	0.377	S	S	*	.	H	α-helix	trans	-63.7	-44.1	169.9	-67.1	175.1	0	0	0	111.5	D1043 E1044 F1045 R1050 K1051	D1043-L1047 PolarHBondContact O-N 3.18Å; D1043-L1047 VanDerWaalsContact O-N 3.12Å; E1044-L1047 PolarHBondContact O-N 3.43Å; F1045-L1047 VanDerWaalsContact C-N 3.31Å; F1045-L1047 PolarHBondContact O-N 2.98Å; L1047-R1050 PolarHBondContact O-N 3.43Å; L1047-K1051 WeakPolarHBondContact O-CB 3.2Å; L1047-K1051 PolarHBondContact O-N 3.13Å
1048	Y	80.2	Confident	70.6	Confident	62 Å²	62	77.5 Å²	77.5	24%	0.243	38%	0.377	C	S	.	.	H	α-helix	trans	-59.5	-48	174	171.5	-94.4	0	0	0	111.6	E1044 F1045 R1050 K1051 F1052 R1156 W1157	E1044-Y1048 PolarHBondContact O-N 3.44Å; F1045-Y1048 HydrophobicContact CD2-CD1 4.5Å; F1045-Y1048 HydrophobicContact CE2-CD1 4.45Å; F1045-Y1048 WeakPolarHBondContact O-CB 3.34Å; F1045-Y1048 PolarHBondContact O-N 3.32Å; Y1048-R1050 PolarHBondContact O-N 3.34Å; Y1048-K1051 WeakPolarHBondContact O-CB 3.48Å; Y1048-K1051 PolarHBondContact O-N 3.46Å; Y1048-F1052 WeakPolarHBondContact O-CB 3.49Å; Y1048-F1052 PolarHBondContact O-N 3.29Å; Y1048-R1156 WeakPolarHBondContact OH-CB 3.39Å; Y1048-W1157 HydrophobicContact CD1-CB 4.27Å; Y1048-W1157 HydrophobicContact CE1-CB 4.03Å
1049	V	79	Confident	70.6	Confident	0 Å²	0	80 Å²	80	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-60.6	-47	177.4	170.2	0	0	0	0	110.9	Y1038 F1045 D1046 K1051 F1052 L1053 P1153	Y1038-V1049 HydrophobicContact CD1-CG1 3.3Å; Y1038-V1049 HydrophobicContact CE1-CG1 4.01Å; Y1038-V1049 HydrophobicContact CG-CG1 3.7Å; F1045-V1049 HydrophobicContact CD1-CG2 3.95Å; F1045-V1049 HydrophobicContact CD2-CG2 4.31Å; F1045-V1049 HydrophobicContact CE1-CG2 3.46Å; F1045-V1049 VanDerWaalsContact CE1-CG2 3.46Å; F1045-V1049 HydrophobicContact CE2-CG2 3.84Å; F1045-V1049 HydrophobicContact CG-CG2 4.36Å; F1045-V1049 HydrophobicContact CZ-CG2 3.39Å; F1045-V1049 VanDerWaalsContact O-CG2 3.26Å; F1045-V1049 WeakPolarHBondContact O-CG2 3.48Å; F1045-V1049 PolarHBondContact O-N 3.05Å; D1046-V1049 PolarHBondContact O-N 3.49Å; V1049-K1051 VanDerWaalsContact C-N 3.31Å; V1049-K1051 PolarHBondContact O-N 3.41Å; V1049-F1052 CarbonylContact O-C 3.57Å; V1049-F1052 WeakPolarHBondContact O-CB 3.42Å; V1049-F1052 PolarHBondContact O-N 2.81Å; V1049-F1052 VanDerWaalsContact O-N 3.08Å; V1049-L1053 HydrophobicContact CG1-CD1 3.76Å; V1049-L1053 HydrophobicContact CG1-CG 4.05Å; V1049-L1053 WeakPolarHBondContact O-CB 3.35Å; V1049-L1053 VanDerWaalsContact O-CG 3.29Å; V1049-L1053 WeakPolarHBondContact O-CG 3.45Å; V1049-L1053 PolarHBondContact O-N 3.43Å; V1049-P1153 HydrophobicContact CG2-CB 3.74Å; V1049-P1153 HydrophobicContact CG2-CG 4.44Å
1050	R	74.7	Confident	71.1	Confident	126 Å²	126	79 Å²	79	48%	0.475	39%	0.388	S	S	.	.	H	α-helix	trans	-59.2	-43.3	177.3	-76.9	179	-170.2	-170.6	6.4	111.5	D1046 L1047 Y1048 F1052 L1053 L1054	D1046-R1050 WeakPolarHBondContact O-CB 3.04Å; D1046-R1050 VanDerWaalsContact O-CG 3.29Å; D1046-R1050 WeakPolarHBondContact O-CG 3.41Å; D1046-R1050 PolarHBondContact O-N 2.91Å; L1047-R1050 PolarHBondContact O-N 3.43Å; Y1048-R1050 PolarHBondContact O-N 3.34Å; R1050-F1052 VanDerWaalsContact C-N 3.26Å; R1050-F1052 PolarHBondContact O-N 2.9Å; R1050-L1053 PolarHBondContact O-N 2.87Å; R1050-L1054 VanDerWaalsContact O-CG 3.25Å; R1050-L1054 WeakPolarHBondContact O-CG 3.49Å; R1050-L1054 PolarHBondContact O-N 3.33Å
1051	K	75.6	Confident	72	Confident	164 Å²	164	82.3 Å²	82.3	71%	0.713	40%	0.398	S	S	*	.	H	α-helix	trans	-59	-40.1	174.9	-173.8	179.4	179	-178.1	0	111.7	L1047 Y1048 V1049	L1047-K1051 WeakPolarHBondContact O-CB 3.2Å; L1047-K1051 PolarHBondContact O-N 3.13Å; Y1048-K1051 WeakPolarHBondContact O-CB 3.48Å; Y1048-K1051 PolarHBondContact O-N 3.46Å; V1049-K1051 VanDerWaalsContact C-N 3.31Å; V1049-K1051 PolarHBondContact O-N 3.41Å
1052	F	73.6	Confident	72.7	Confident	26 Å²	26	78.2 Å²	78.2	11%	0.114	38%	0.379	C	S	.	.	H	α-helix	trans	-72.2	-41.1	178.7	179.9	-113.9	0	0	0	113.1	Y1048 V1049 R1050 L1054 D1055 F1058 P1153 R1156	Y1048-F1052 WeakPolarHBondContact O-CB 3.49Å; Y1048-F1052 PolarHBondContact O-N 3.29Å; V1049-F1052 CarbonylContact O-C 3.57Å; V1049-F1052 WeakPolarHBondContact O-CB 3.42Å; V1049-F1052 PolarHBondContact O-N 2.81Å; V1049-F1052 VanDerWaalsContact O-N 3.08Å; R1050-F1052 VanDerWaalsContact C-N 3.26Å; R1050-F1052 PolarHBondContact O-N 2.9Å; F1052-L1054 VanDerWaalsContact C-N 3.26Å; F1052-L1054 PolarHBondContact O-N 2.89Å; F1052-D1055 WeakPolarHBondContact O-CB 3.43Å; F1052-D1055 PolarHBondContact O-N 3.44Å; F1052-D1055 VanDerWaalsContact O-N 3.15Å; F1052-F1058 HydrophobicContact CD1-CD2 4.11Å; F1052-F1058 HydrophobicContact CD1-CE2 4.21Å; F1052-F1058 HydrophobicContact CD1-CG 4.35Å; F1052-F1058 HydrophobicContact CE1-CD1 4.41Å; F1052-F1058 AromaticContact CE1-CD2 3.17Å; F1052-F1058 HydrophobicContact CE1-CD2 3.17Å; F1052-F1058 HydrophobicContact CE1-CE1 4.39Å; F1052-F1058 AromaticContact CE1-CE2 3.18Å; F1052-F1058 HydrophobicContact CE1-CE2 3.18Å; F1052-F1058 AromaticContact CE1-CG 3.82Å; F1052-F1058 HydrophobicContact CE1-CG 3.82Å; F1052-F1058 AromaticContact CE1-CZ 3.81Å; F1052-F1058 HydrophobicContact CE1-CZ 3.81Å; F1052-F1058 HydrophobicContact CE2-CD2 4.46Å; F1052-F1058 AromaticContact CZ-CD2 3.37Å; F1052-F1058 HydrophobicContact CZ-CD2 3.37Å; F1052-F1058 AromaticContact CZ-CE2 3.68Å; F1052-F1058 HydrophobicContact CZ-CE2 3.68Å; F1052-F1058 HydrophobicContact CZ-CG 4.2Å; F1052-P1153 HydrophobicContact CD1-CB 4.37Å; F1052-P1153 HydrophobicContact CD1-CG 3.93Å; F1052-P1153 HydrophobicContact CE1-CG 4Å; F1052-R1156 VanDerWaalsContact CE2-CZ 3.4Å; F1052-R1156 VanDerWaalsContact CE2-NH1 3.25Å
1053	L	70.4	Confident	73.2	Confident	26 Å²	26	72.9 Å²	72.9	14%	0.136	36%	0.356	C	S	.	.	H	α-helix	trans	-66.5	-25.7	175.9	-70.2	176.2	0	0	0	113.8	Y1038 V1049 R1050 D1055 F1058 I1059	Y1038-L1053 HydrophobicContact CD2-CD1 3.72Å; Y1038-L1053 HydrophobicContact CD2-CD2 3.78Å; Y1038-L1053 HydrophobicContact CD2-CG 4.31Å; Y1038-L1053 HydrophobicContact CE2-CD2 3.99Å; Y1038-L1053 HydrophobicContact CG-CD1 3.62Å; Y1038-L1053 HydrophobicContact CG-CD2 4.36Å; Y1038-L1053 HydrophobicContact CG-CG 4.45Å; V1049-L1053 HydrophobicContact CG1-CD1 3.76Å; V1049-L1053 HydrophobicContact CG1-CG 4.05Å; V1049-L1053 WeakPolarHBondContact O-CB 3.35Å; V1049-L1053 VanDerWaalsContact O-CG 3.29Å; V1049-L1053 WeakPolarHBondContact O-CG 3.45Å; V1049-L1053 PolarHBondContact O-N 3.43Å; R1050-L1053 PolarHBondContact O-N 2.87Å; L1053-D1055 CarbonylContact O-C 3.5Å; L1053-D1055 PolarHBondContact O-N 2.99Å; L1053-F1058 HydrophobicContact CD2-CD1 3.28Å; L1053-F1058 HydrophobicContact CD2-CE1 3.39Å; L1053-F1058 HydrophobicContact CD2-CG 4.36Å; L1053-I1059 HydrophobicContact CD2-CG1 4.08Å
1054	L	65.7	Low	73.3	Confident	146 Å²	146	73.2 Å²	73.2	76%	0.764	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.6	174.1	-76.7	165.5	0	0	0	112.3	R1050 F1052 S1056	R1050-L1054 VanDerWaalsContact O-CG 3.25Å; R1050-L1054 WeakPolarHBondContact O-CG 3.49Å; R1050-L1054 PolarHBondContact O-N 3.33Å; F1052-L1054 VanDerWaalsContact C-N 3.26Å; F1052-L1054 PolarHBondContact O-N 2.89Å; L1054-S1056 PolarHBondContact O-N 3.39Å
1055	D	67.3	Low	72.9	Confident	86 Å²	86	69 Å²	69	46%	0.46	34%	0.339	S	S	.	.	S	Bend	trans	-71.3	95.8	160.6	-167.3	-2.3	0	0	0	108.1	F1052 L1053 K1057 F1058	F1052-D1055 WeakPolarHBondContact O-CB 3.43Å; F1052-D1055 PolarHBondContact O-N 3.44Å; F1052-D1055 VanDerWaalsContact O-N 3.15Å; L1053-D1055 CarbonylContact O-C 3.5Å; L1053-D1055 PolarHBondContact O-N 2.99Å; D1055-K1057 PolarHBondContact O-N 3.46Å; D1055-F1058 WeakPolarHBondContact O-CB 3.38Å; D1055-F1058 PolarHBondContact O-N 3.43Å
1056	S	61.4	Low	72.3	Confident	81 Å²	81	71 Å²	71	57%	0.566	35%	0.353	S	S	*	.	H	α-helix	trans	-51	-27.2	-175.6	56.7	0	0	0	0	113.4	L1054 F1058 I1059 D1060	L1054-S1056 PolarHBondContact O-N 3.39Å; S1056-F1058 PolarHBondContact O-N 3.03Å; S1056-I1059 PolarHBondContact O-N 3.46Å; S1056-D1060 PolarHBondContact O-N 2.95Å
1057	K	73.7	Confident	71.9	Confident	137 Å²	137	79 Å²	79	60%	0.596	39%	0.387	S	S	*	.	H	α-helix	trans	-59.3	-30	175.8	-67	179.5	-179.7	174.8	0	113.2	D1055 Q1061	D1055-K1057 PolarHBondContact O-N 3.46Å; K1057-Q1061 WeakPolarHBondContact O-CB 3.19Å; K1057-Q1061 VanDerWaalsContact O-CG 3.24Å; K1057-Q1061 WeakPolarHBondContact O-CG 3.41Å; K1057-Q1061 PolarHBondContact O-N 3.5Å
1058	F	71.7	Confident	71.8	Confident	6 Å²	6	76.7 Å²	76.7	3%	0.026	38%	0.378	C	S	.	.	H	α-helix	trans	-67	-51.1	-178.9	177.7	-91.6	0	0	0	112	Y1038 F1052 L1053 D1055 S1056 D1060 Q1061 W1062 L1151 P1153	Y1038-F1058 HydrophobicContact CE2-CE1 4.02Å; F1052-F1058 HydrophobicContact CD1-CD2 4.11Å; F1052-F1058 HydrophobicContact CD1-CE2 4.21Å; F1052-F1058 HydrophobicContact CD1-CG 4.35Å; F1052-F1058 HydrophobicContact CE1-CD1 4.41Å; F1052-F1058 AromaticContact CE1-CD2 3.17Å; F1052-F1058 HydrophobicContact CE1-CD2 3.17Å; F1052-F1058 HydrophobicContact CE1-CE1 4.39Å; F1052-F1058 AromaticContact CE1-CE2 3.18Å; F1052-F1058 HydrophobicContact CE1-CE2 3.18Å; F1052-F1058 AromaticContact CE1-CG 3.82Å; F1052-F1058 HydrophobicContact CE1-CG 3.82Å; F1052-F1058 AromaticContact CE1-CZ 3.81Å; F1052-F1058 HydrophobicContact CE1-CZ 3.81Å; F1052-F1058 HydrophobicContact CE2-CD2 4.46Å; F1052-F1058 AromaticContact CZ-CD2 3.37Å; F1052-F1058 HydrophobicContact CZ-CD2 3.37Å; F1052-F1058 AromaticContact CZ-CE2 3.68Å; F1052-F1058 HydrophobicContact CZ-CE2 3.68Å; F1052-F1058 HydrophobicContact CZ-CG 4.2Å; L1053-F1058 HydrophobicContact CD2-CD1 3.28Å; L1053-F1058 HydrophobicContact CD2-CE1 3.39Å; L1053-F1058 HydrophobicContact CD2-CG 4.36Å; D1055-F1058 WeakPolarHBondContact O-CB 3.38Å; D1055-F1058 PolarHBondContact O-N 3.43Å; S1056-F1058 PolarHBondContact O-N 3.03Å; F1058-D1060 VanDerWaalsContact C-N 3.28Å; F1058-D1060 PolarHBondContact O-N 3.23Å; F1058-Q1061 PolarHBondContact O-N 3.17Å; F1058-W1062 AromaticContact CE1-CD1 3.92Å; F1058-W1062 HydrophobicContact CE1-CG 4.33Å; F1058-W1062 AromaticContact CZ-CD1 3.6Å; F1058-W1062 HydrophobicContact CZ-CG 4.41Å; F1058-W1062 AromaticContact CZ-NE1 3.98Å; F1058-W1062 PolarHBondContact O-N 2.63Å; F1058-L1151 HydrophobicContact CD2-CD2 3.7Å; F1058-L1151 HydrophobicContact CE2-CB 3.81Å; F1058-L1151 HydrophobicContact CE2-CD2 3.65Å; F1058-L1151 HydrophobicContact CE2-CG 4.25Å; F1058-L1151 WeakPolarHBondContact CE2-O 3.26Å; F1058-L1151 HydrophobicContact CZ-CB 4.41Å; F1058-L1151 WeakPolarHBondContact CZ-O 3.35Å; F1058-P1153 HydrophobicContact CZ-CG 4.38Å
1059	I	69.7	Low	71.6	Confident	58 Å²	58	77.2 Å²	77.2	30%	0.297	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-41.3	-178.5	-65.5	174.9	0	0	0	109.6	L1053 S1056 Q1061 W1062 L1063	L1053-I1059 HydrophobicContact CD2-CG1 4.08Å; S1056-I1059 PolarHBondContact O-N 3.46Å; I1059-Q1061 PolarHBondContact O-N 2.95Å; I1059-W1062 PolarHBondContact O-N 3.39Å; I1059-L1063 HydrophobicContact CG2-CD1 3.71Å; I1059-L1063 HydrophobicContact CG2-CG 4.25Å; I1059-L1063 WeakPolarHBondContact O-CB 3.45Å; I1059-L1063 VanDerWaalsContact O-CG 3.26Å; I1059-L1063 WeakPolarHBondContact O-CG 3.49Å; I1059-L1063 PolarHBondContact O-N 3.31Å
1060	D	74.1	Confident	71.6	Confident	96 Å²	96	82.4 Å²	82.4	51%	0.513	42%	0.416	S	S	.	.	H	α-helix	trans	-61.5	-41.7	176	-70.8	-20.4	0	0	0	112.3	S1056 F1058 T1064	S1056-D1060 PolarHBondContact O-N 2.95Å; F1058-D1060 VanDerWaalsContact C-N 3.28Å; F1058-D1060 PolarHBondContact O-N 3.23Å; D1060-T1064 VanDerWaalsContact O-CB 3.31Å; D1060-T1064 WeakPolarHBondContact O-CB 3.47Å; D1060-T1064 PolarHBondContact O-N 2.95Å; D1060-T1064 PolarHBondContact O-OG1 3Å
1061	Q	75.8	Confident	71.9	Confident	92 Å²	92	77.7 Å²	77.7	43%	0.43	40%	0.402	S	S	.	.	H	α-helix	trans	-66.1	-43.3	175.2	-75.6	176.3	13.7	0	0	111.9	K1057 F1058 I1059 T1064 W1065 L1151	K1057-Q1061 WeakPolarHBondContact O-CB 3.19Å; K1057-Q1061 VanDerWaalsContact O-CG 3.24Å; K1057-Q1061 WeakPolarHBondContact O-CG 3.41Å; K1057-Q1061 PolarHBondContact O-N 3.5Å; F1058-Q1061 PolarHBondContact O-N 3.17Å; I1059-Q1061 PolarHBondContact O-N 2.95Å; Q1061-T1064 PolarHBondContact O-N 3.48Å; Q1061-W1065 PolarHBondContact O-N 2.94Å; Q1061-L1151 HydrophobicContact CB-CD1 4.24Å; Q1061-L1151 HydrophobicContact CB-CD2 4.25Å
1062	W	71.6	Confident	72.3	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-62.1	-44.7	177.2	-137.6	81.9	0	0	0	111.4	V1034 F1037 F1058 I1059 T1064 W1065 S1066 F1072 I1075 L1076	V1034-W1062 HydrophobicContact CB-CE3 3.49Å; V1034-W1062 VanDerWaalsContact CB-CE3 3.49Å; V1034-W1062 HydrophobicContact CB-CZ3 3.46Å; V1034-W1062 VanDerWaalsContact CB-CZ3 3.46Å; V1034-W1062 HydrophobicContact CG1-CB 4.35Å; V1034-W1062 HydrophobicContact CG1-CD2 3.6Å; V1034-W1062 HydrophobicContact CG1-CE3 2.95Å; V1034-W1062 HydrophobicContact CG1-CG 4.24Å; V1034-W1062 HydrophobicContact CG1-CH2 4.17Å; V1034-W1062 HydrophobicContact CG1-CZ3 3.27Å; V1034-W1062 HydrophobicContact CG2-CE3 3.26Å; V1034-W1062 HydrophobicContact CG2-CZ3 3.32Å; F1037-W1062 HydrophobicContact CG-CH2 4.5Å; F1058-W1062 AromaticContact CE1-CD1 3.92Å; F1058-W1062 HydrophobicContact CE1-CG 4.33Å; F1058-W1062 AromaticContact CZ-CD1 3.6Å; F1058-W1062 HydrophobicContact CZ-CG 4.41Å; F1058-W1062 AromaticContact CZ-NE1 3.98Å; F1058-W1062 PolarHBondContact O-N 2.63Å; I1059-W1062 PolarHBondContact O-N 3.39Å; W1062-T1064 VanDerWaalsContact C-N 3.35Å; W1062-W1065 PolarHBondContact O-N 3.3Å; W1062-S1066 PolarHBondContact O-N 2.87Å; W1062-F1072 HydrophobicContact CD2-CE2 4.34Å; W1062-F1072 AromaticContact CE3-CE2 3.64Å; W1062-F1072 HydrophobicContact CE3-CE2 3.64Å; W1062-F1072 HydrophobicContact CE3-CZ 4.42Å; W1062-F1072 AromaticContact CH2-CE2 3.99Å; W1062-F1072 HydrophobicContact CH2-CE2 3.99Å; W1062-F1072 HydrophobicContact CH2-CZ 4.41Å; W1062-F1072 AromaticContact CZ3-CE2 3.47Å; W1062-F1072 HydrophobicContact CZ3-CE2 3.47Å; W1062-F1072 VanDerWaalsContact CZ3-CE2 3.47Å; W1062-F1072 AromaticContact CZ3-CZ 3.9Å; W1062-F1072 HydrophobicContact CZ3-CZ 3.9Å; W1062-I1075 HydrophobicContact CZ2-CG2 4.18Å; W1062-I1075 VanDerWaalsContact NE1-CG2 3.27Å; W1062-L1076 HydrophobicContact CH2-CD1 4.34Å
1063	L	71	Confident	72.9	Confident	80 Å²	80	70.8 Å²	70.8	42%	0.419	37%	0.372	S	S	.	.	H	α-helix	trans	-64.5	-38.2	174.7	-73.8	167.4	0	0	0	111.8	V1034 I1059 S1066	V1034-L1063 HydrophobicContact CG2-CD2 4.05Å; I1059-L1063 HydrophobicContact CG2-CD1 3.71Å; I1059-L1063 HydrophobicContact CG2-CG 4.25Å; I1059-L1063 WeakPolarHBondContact O-CB 3.45Å; I1059-L1063 VanDerWaalsContact O-CG 3.26Å; I1059-L1063 WeakPolarHBondContact O-CG 3.49Å; I1059-L1063 PolarHBondContact O-N 3.31Å; L1063-S1066 WeakPolarHBondContact O-CB 3.36Å; L1063-S1066 PolarHBondContact O-N 3.43Å; L1063-S1066 PolarHBondContact O-OG 2.93Å
1064	T	75.8	Confident	73.7	Confident	80 Å²	80	69.5 Å²	69.5	49%	0.491	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-44.8	177.2	-60.4	0	0	0	0	111.1	D1060 Q1061 W1062 K1067	D1060-T1064 VanDerWaalsContact O-CB 3.31Å; D1060-T1064 WeakPolarHBondContact O-CB 3.47Å; D1060-T1064 PolarHBondContact O-N 2.95Å; D1060-T1064 PolarHBondContact O-OG1 3Å; Q1061-T1064 PolarHBondContact O-N 3.48Å; W1062-T1064 VanDerWaalsContact C-N 3.35Å; T1064-K1067 WeakPolarHBondContact O-CB 3.44Å; T1064-K1067 PolarHBondContact O-N 3.21Å
1065	W	68.8	Low	74.7	Confident	66 Å²	66	62.6 Å²	62.6	25%	0.25	33%	0.329	C	S	.	.	H	α-helix	trans	-78.7	-17	178.7	-67.7	-8.6	0	0	0	113.9	Q1061 W1062 K1067 T1068 V1071 I1075 T1147 L1151	Q1061-W1065 PolarHBondContact O-N 2.94Å; W1062-W1065 PolarHBondContact O-N 3.3Å; W1065-K1067 PolarHBondContact O-N 2.82Å; W1065-T1068 PolarHBondContact O-N 3.38Å; W1065-T1068 PolarHBondContact O-OG1 2.82Å; W1065-V1071 HydrophobicContact CB-CG1 4.28Å; W1065-V1071 HydrophobicContact CD2-CG1 4.23Å; W1065-V1071 HydrophobicContact CE3-CG1 4.2Å; W1065-V1071 HydrophobicContact CG-CG1 4.3Å; W1065-I1075 HydrophobicContact CB-CD1 4.13Å; W1065-I1075 HydrophobicContact CD2-CD1 4.35Å; W1065-I1075 HydrophobicContact CE3-CD1 3.44Å; W1065-I1075 VanDerWaalsContact CE3-CD1 3.44Å; W1065-I1075 HydrophobicContact CE3-CG1 4.49Å; W1065-I1075 HydrophobicContact CZ3-CD1 4.18Å; W1065-T1147 HydrophobicContact CD2-CG2 4.23Å; W1065-T1147 HydrophobicContact CE3-CG2 3.92Å; W1065-T1147 HydrophobicContact CH2-CG2 3.04Å; W1065-T1147 HydrophobicContact CZ2-CG2 3.38Å; W1065-T1147 HydrophobicContact CZ3-CG2 3.3Å; W1065-T1147 VanDerWaalsContact CZ3-O 3.31Å; W1065-T1147 WeakPolarHBondContact CZ3-O 3.18Å; W1065-L1151 HydrophobicContact CD2-CD1 4.1Å; W1065-L1151 HydrophobicContact CE3-CD1 3.13Å; W1065-L1151 HydrophobicContact CE3-CG 4.02Å; W1065-L1151 HydrophobicContact CH2-CD1 3.94Å; W1065-L1151 HydrophobicContact CH2-CG 4.06Å; W1065-L1151 HydrophobicContact CZ3-CB 4.32Å; W1065-L1151 HydrophobicContact CZ3-CD1 3.07Å; W1065-L1151 HydrophobicContact CZ3-CG 3.41Å; W1065-L1151 VanDerWaalsContact CZ3-CG 3.41Å
1066	S	66.9	Low	75.7	Confident	44 Å²	44	58.5 Å²	58.5	31%	0.308	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-21.1	167.2	79.5	0	0	0	0	112.8	W1062 L1063 T1068	W1062-S1066 PolarHBondContact O-N 2.87Å; L1063-S1066 WeakPolarHBondContact O-CB 3.36Å; L1063-S1066 PolarHBondContact O-N 3.43Å; L1063-S1066 PolarHBondContact O-OG 2.93Å; S1066-T1068 VanDerWaalsContact C-N 3.34Å
1067	K	66.4	Low	77.2	Confident	172 Å²	172	54.6 Å²	54.6	75%	0.748	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-18.6	174.3	-58.1	178.9	-179.9	175.6	0	113.5	T1064 W1065 P1069	T1064-K1067 WeakPolarHBondContact O-CB 3.44Å; T1064-K1067 PolarHBondContact O-N 3.21Å; W1065-K1067 PolarHBondContact O-N 2.82Å; K1067-P1069 WeakPolarHBondContact O-CD 3.47Å
1068	T	75.2	Confident	78.1	Confident	63 Å²	63	48.3 Å²	48.3	39%	0.387	25%	0.253	S	S	.	.	S	Bend	trans	-104.8	97.1	176	42.7	0	0	0	0	109.7	W1065 S1066 N1070 V1071 F1072	W1065-T1068 PolarHBondContact O-N 3.38Å; W1065-T1068 PolarHBondContact O-OG1 2.82Å; S1066-T1068 VanDerWaalsContact C-N 3.34Å; T1068-N1070 VanDerWaalsContact C-N 3.34Å; T1068-N1070 PolarHBondContact O-N 3.26Å; T1068-N1070 VanDerWaalsContact O-N 3.17Å; T1068-V1071 PolarHBondContact O-N 3.48Å; T1068-V1071 WeakPolarHBondContact OG1-CB 3.17Å; T1068-F1072 PolarHBondContact O-N 3.02Å
1069	P	76.1	Confident	78.9	Confident	73 Å²	73	48 Å²	48	47%	0.474	25%	0.252	S	S	.	.	H	α-helix	trans	-58.1	-40.9	-165.1	21.2	-33.2	0	0	0	113.5	I1027 K1067 F1072 Q1073	I1027-P1069 HydrophobicContact CG2-CB 4.25Å; K1067-P1069 WeakPolarHBondContact O-CD 3.47Å; P1069-F1072 PolarHBondContact O-N 3.07Å; P1069-Q1073 VanDerWaalsContact O-CB 3.25Å; P1069-Q1073 WeakPolarHBondContact O-CB 3.33Å; P1069-Q1073 PolarHBondContact O-N 2.93Å
1070	N	78.2	Confident	80	Confident	108 Å²	108	45.3 Å²	45.3	58%	0.578	24%	0.238	S	C	*	.	H	α-helix	trans	-66.8	-39.4	179.1	-67.9	-2.7	0	0	0	112.6	T1068 S1074	T1068-N1070 VanDerWaalsContact C-N 3.34Å; T1068-N1070 PolarHBondContact O-N 3.26Å; T1068-N1070 VanDerWaalsContact O-N 3.17Å; N1070-S1074 PolarHBondContact O-N 3.31Å; N1070-S1074 PolarHBondContact O-OG 2.91Å
1071	V	81.7	Confident	81	Confident	27 Å²	27	40.8 Å²	40.8	16%	0.164	21%	0.214	C	C	.	.	H	α-helix	trans	-67.7	-46.2	179	-176	0	0	0	0	109.3	W1065 T1068 Q1073 S1074 I1075 V1144 T1147	W1065-V1071 HydrophobicContact CB-CG1 4.28Å; W1065-V1071 HydrophobicContact CD2-CG1 4.23Å; W1065-V1071 HydrophobicContact CE3-CG1 4.2Å; W1065-V1071 HydrophobicContact CG-CG1 4.3Å; T1068-V1071 PolarHBondContact O-N 3.48Å; T1068-V1071 WeakPolarHBondContact OG1-CB 3.17Å; V1071-Q1073 VanDerWaalsContact C-N 3.33Å; V1071-Q1073 PolarHBondContact O-N 3.48Å; V1071-S1074 PolarHBondContact O-N 3.17Å; V1071-I1075 HydrophobicContact CG1-CD1 3.82Å; V1071-I1075 WeakPolarHBondContact O-CD1 3.47Å; V1071-I1075 VanDerWaalsContact O-CG1 3.26Å; V1071-I1075 WeakPolarHBondContact O-CG1 3.35Å; V1071-I1075 PolarHBondContact O-N 3.14Å; V1071-V1144 HydrophobicContact CB-CG1 4.44Å; V1071-V1144 HydrophobicContact CG1-CG1 4.47Å; V1071-V1144 HydrophobicContact CG2-CG2 4.17Å; V1071-T1147 HydrophobicContact CG1-CG2 4.3Å
1072	F	82.9	Confident	81.8	Confident	14 Å²	14	36.4 Å²	36.4	6%	0.061	19%	0.193	C	C	.	.	H	α-helix	trans	-59.7	-42.3	176.8	-171.3	-126.4	0	0	0	112.9	I1027 L1032 W1062 T1068 P1069 S1074 I1075 L1076	I1027-F1072 HydrophobicContact CD1-CB 4.42Å; I1027-F1072 HydrophobicContact CD1-CD1 3.61Å; I1027-F1072 HydrophobicContact CD1-CE1 4.35Å; I1027-F1072 HydrophobicContact CD1-CG 4.42Å; I1027-F1072 HydrophobicContact CG1-CD1 3.59Å; I1027-F1072 HydrophobicContact CG1-CE1 3.88Å; L1032-F1072 HydrophobicContact CD2-CE1 4.14Å; L1032-F1072 HydrophobicContact CD2-CZ 3.7Å; W1062-F1072 HydrophobicContact CD2-CE2 4.34Å; W1062-F1072 AromaticContact CE3-CE2 3.64Å; W1062-F1072 HydrophobicContact CE3-CE2 3.64Å; W1062-F1072 HydrophobicContact CE3-CZ 4.42Å; W1062-F1072 AromaticContact CH2-CE2 3.99Å; W1062-F1072 HydrophobicContact CH2-CE2 3.99Å; W1062-F1072 HydrophobicContact CH2-CZ 4.41Å; W1062-F1072 AromaticContact CZ3-CE2 3.47Å; W1062-F1072 HydrophobicContact CZ3-CE2 3.47Å; W1062-F1072 VanDerWaalsContact CZ3-CE2 3.47Å; W1062-F1072 AromaticContact CZ3-CZ 3.9Å; W1062-F1072 HydrophobicContact CZ3-CZ 3.9Å; T1068-F1072 PolarHBondContact O-N 3.02Å; P1069-F1072 PolarHBondContact O-N 3.07Å; F1072-S1074 PolarHBondContact O-N 3.1Å; F1072-I1075 PolarHBondContact O-N 3.38Å; F1072-L1076 WeakPolarHBondContact O-CB 3.49Å; F1072-L1076 PolarHBondContact O-N 3.38Å
1073	Q	86.7	Confident	82.7	Confident	31 Å²	31	37.6 Å²	37.6	15%	0.145	20%	0.198	C	C	.	.	H	α-helix	trans	-56.8	-48.5	176.2	-165.4	-173.6	5.8	0	0	111.7	K1020 S1023 I1027 P1069 V1071 A1077	K1020-Q1073 HydrophobicContact CG-CG 3.78Å; K1020-Q1073 WeakPolarHBondContact O-CG 3.39Å; K1020-Q1073 PolarHBondContact O-NE2 3.33Å; S1023-Q1073 WeakPolarHBondContact OG-CG 3.22Å; S1023-Q1073 PolarHBondContact OG-O 2.76Å; I1027-Q1073 HydrophobicContact CD1-CB 3.81Å; I1027-Q1073 HydrophobicContact CD1-CG 4.31Å; P1069-Q1073 VanDerWaalsContact O-CB 3.25Å; P1069-Q1073 WeakPolarHBondContact O-CB 3.33Å; P1069-Q1073 PolarHBondContact O-N 2.93Å; V1071-Q1073 VanDerWaalsContact C-N 3.33Å; V1071-Q1073 PolarHBondContact O-N 3.48Å; Q1073-A1077 VanDerWaalsContact O-CB 3.29Å; Q1073-A1077 WeakPolarHBondContact O-CB 2.98Å; Q1073-A1077 PolarHBondContact O-N 2.74Å
1074	S	87.9	Confident	83.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-71.6	-34.4	179.9	-61.9	0	0	0	0	112.8	Y1016 K1020 N1070 V1071 F1072 A1077 I1078 E1141 V1144	Y1016-S1074 PolarHBondContact OH-OG 3.49Å; K1020-S1074 WeakPolarHBondContact CE-OG 3.39Å; N1070-S1074 PolarHBondContact O-N 3.31Å; N1070-S1074 PolarHBondContact O-OG 2.91Å; V1071-S1074 PolarHBondContact O-N 3.17Å; F1072-S1074 PolarHBondContact O-N 3.1Å; S1074-A1077 PolarHBondContact O-N 3.09Å; S1074-I1078 WeakPolarHBondContact O-CG1 3.45Å; S1074-I1078 PolarHBondContact O-N 3.21Å; S1074-E1141 PolarHBondContact OG-OE1 2.7Å; S1074-E1141 VanDerWaalsContact OG-OE1 3.07Å; S1074-V1144 WeakPolarHBondContact OG-CG1 3.32Å
1075	I	86.6	Confident	84.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-51.3	172.8	-67.8	158	0	0	0	110.9	W1062 W1065 V1071 F1072 A1077 I1078 E1079 A1148	W1062-I1075 HydrophobicContact CZ2-CG2 4.18Å; W1062-I1075 VanDerWaalsContact NE1-CG2 3.27Å; W1065-I1075 HydrophobicContact CB-CD1 4.13Å; W1065-I1075 HydrophobicContact CD2-CD1 4.35Å; W1065-I1075 HydrophobicContact CE3-CD1 3.44Å; W1065-I1075 VanDerWaalsContact CE3-CD1 3.44Å; W1065-I1075 HydrophobicContact CE3-CG1 4.49Å; W1065-I1075 HydrophobicContact CZ3-CD1 4.18Å; V1071-I1075 HydrophobicContact CG1-CD1 3.82Å; V1071-I1075 WeakPolarHBondContact O-CD1 3.47Å; V1071-I1075 VanDerWaalsContact O-CG1 3.26Å; V1071-I1075 WeakPolarHBondContact O-CG1 3.35Å; V1071-I1075 PolarHBondContact O-N 3.14Å; F1072-I1075 PolarHBondContact O-N 3.38Å; I1075-A1077 VanDerWaalsContact C-N 3.26Å; I1075-A1077 PolarHBondContact O-N 2.82Å; I1075-I1078 PolarHBondContact O-N 2.83Å; I1075-E1079 WeakPolarHBondContact O-CB 3.48Å; I1075-E1079 PolarHBondContact O-N 2.97Å; I1075-E1079 VanDerWaalsContact O-N 3.09Å; I1075-A1148 HydrophobicContact CB-CB 4.22Å; I1075-A1148 HydrophobicContact CG1-CB 3.49Å; I1075-A1148 VanDerWaalsContact CG1-CB 3.49Å
1076	L	88.1	Confident	85.6	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.9	-39.7	179	-170.9	63.6	0	0	0	110.9	F1026 L1032 F1037 W1062 F1072 E1079 I1080	F1026-L1076 HydrophobicContact CD2-CD2 3.77Å; L1032-L1076 HydrophobicContact CD2-CD1 3.8Å; L1032-L1076 HydrophobicContact CD2-CD2 3.55Å; L1032-L1076 HydrophobicContact CD2-CG 4.31Å; F1037-L1076 HydrophobicContact CD2-CD1 4.21Å; F1037-L1076 HydrophobicContact CE2-CD1 3.49Å; F1037-L1076 VanDerWaalsContact CE2-CD1 3.49Å; F1037-L1076 HydrophobicContact CZ-CD1 3.93Å; W1062-L1076 HydrophobicContact CH2-CD1 4.34Å; F1072-L1076 WeakPolarHBondContact O-CB 3.49Å; F1072-L1076 PolarHBondContact O-N 3.38Å; L1076-E1079 PolarHBondContact O-N 2.82Å; L1076-I1080 HydrophobicContact CD1-CD1 3.92Å; L1076-I1080 HydrophobicContact CD1-CG1 4.24Å; L1076-I1080 HydrophobicContact CD2-CD1 4.3Å; L1076-I1080 HydrophobicContact CG-CD1 3.71Å; L1076-I1080 HydrophobicContact CG-CG1 4.37Å; L1076-I1080 WeakPolarHBondContact O-CB 3.29Å; L1076-I1080 VanDerWaalsContact O-CG1 3.32Å; L1076-I1080 WeakPolarHBondContact O-CG1 3.44Å; L1076-I1080 PolarHBondContact O-N 2.88Å
1077	A	92.2	Very high	86.7	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-48.2	178.3	0	0	0	0	0	113.1	Y1016 T1019 K1020 Q1073 S1074 I1075 E1079 T1081	Y1016-A1077 HydrophobicContact CD2-CB 3.89Å; Y1016-A1077 HydrophobicContact CE2-CB 3.63Å; T1019-A1077 HydrophobicContact CG2-CB 4.29Å; K1020-A1077 HydrophobicContact CB-CB 3.69Å; K1020-A1077 HydrophobicContact CG-CB 4.18Å; Q1073-A1077 VanDerWaalsContact O-CB 3.29Å; Q1073-A1077 WeakPolarHBondContact O-CB 2.98Å; Q1073-A1077 PolarHBondContact O-N 2.74Å; S1074-A1077 PolarHBondContact O-N 3.09Å; I1075-A1077 VanDerWaalsContact C-N 3.26Å; I1075-A1077 PolarHBondContact O-N 2.82Å; A1077-E1079 VanDerWaalsContact C-N 3.35Å; A1077-E1079 PolarHBondContact O-N 3.41Å; A1077-T1081 WeakPolarHBondContact O-CB 3.25Å; A1077-T1081 PolarHBondContact O-N 3.06Å; A1077-T1081 PolarHBondContact O-OG1 3.21Å
1078	I	92	Very high	87.8	Confident	5 Å²	5	21.4 Å²	21.4	3%	0.026	12%	0.115	C	C	.	.	H	α-helix	trans	-61.5	-45.6	178.1	-68	-179.6	0	0	0	110.6	Y1016 S1074 I1075 T1081 G1082 Y1112 I1145 A1148 L1149	Y1016-I1078 HydrophobicContact CD2-CG1 4.04Å; Y1016-I1078 HydrophobicContact CE2-CG1 3.62Å; S1074-I1078 WeakPolarHBondContact O-CG1 3.45Å; S1074-I1078 PolarHBondContact O-N 3.21Å; I1075-I1078 PolarHBondContact O-N 2.83Å; I1078-T1081 PolarHBondContact O-N 3.39Å; I1078-G1082 PolarHBondContact O-N 3.21Å; I1078-Y1112 HydrophobicContact CG2-CE1 4.15Å; I1078-I1145 HydrophobicContact CD1-CB 4.27Å; I1078-I1145 HydrophobicContact CD1-CG1 4.23Å; I1078-I1145 HydrophobicContact CD1-CG2 3.83Å; I1078-A1148 HydrophobicContact CD1-CB 3.56Å; I1078-L1149 HydrophobicContact CD1-CD2 3.8Å; I1078-L1149 HydrophobicContact CD1-CG 4.06Å; I1078-L1149 HydrophobicContact CG2-CD2 3.91Å
1079	E	89.7	Confident	88.4	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.6	-45.1	-176.1	175	56.8	-164.4	0	0	112.3	F1037 I1075 L1076 A1077 T1081 G1082 R1083 S1152 P1153 T1154	F1037-E1079 HydrophobicContact CE1-CG 3.49Å; F1037-E1079 VanDerWaalsContact CE1-CG 3.49Å; F1037-E1079 HydrophobicContact CZ-CG 3.71Å; I1075-E1079 WeakPolarHBondContact O-CB 3.48Å; I1075-E1079 PolarHBondContact O-N 2.97Å; I1075-E1079 VanDerWaalsContact O-N 3.09Å; L1076-E1079 PolarHBondContact O-N 2.82Å; A1077-E1079 VanDerWaalsContact C-N 3.35Å; A1077-E1079 PolarHBondContact O-N 3.41Å; E1079-T1081 VanDerWaalsContact C-N 3.32Å; E1079-T1081 PolarHBondContact O-N 2.88Å; E1079-G1082 PolarHBondContact O-N 2.94Å; E1079-R1083 WeakPolarHBondContact O-CG 3.32Å; E1079-R1083 PolarHBondContact O-N 2.94Å; E1079-R1083 VanDerWaalsContact O-N 3.1Å; E1079-R1083 IonicContact OE1-CZ 3.73Å; E1079-R1083 IonicContact OE1-NE 2.79Å; E1079-R1083 PolarHBondContact OE1-NE 2.91Å; E1079-R1083 IonicContact OE1-NH2 2.83Å; E1079-R1083 PolarHBondContact OE1-NH2 3.39Å; E1079-S1152 PolarHBondContact OE2-OG 3.26Å; E1079-P1153 VanDerWaalsContact OE2-CD 3.26Å; E1079-P1153 WeakPolarHBondContact OE2-CD 3.37Å; E1079-T1154 WeakPolarHBondContact OE2-CB 3.2Å; E1079-T1154 WeakPolarHBondContact OE2-CG2 3.29Å; E1079-T1154 PolarHBondContact OE2-N 3.41Å; E1079-T1154 PolarHBondContact OE2-OG1 2.93Å
1080	I	92	Very high	89	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.3	-43.3	174.3	-71.3	172.9	0	0	0	110	I888 M889 L892 T1019 F1037 L1076 G1082 R1083 I1084	I888-I1080 HydrophobicContact CG2-CG2 3.89Å; M889-I1080 HydrophobicContact CG-CD1 4.36Å; L892-I1080 HydrophobicContact CD1-CD1 3.82Å; L892-I1080 HydrophobicContact CD1-CG1 3.75Å; T1019-I1080 HydrophobicContact CG2-CB 3.59Å; T1019-I1080 HydrophobicContact CG2-CD1 3.8Å; T1019-I1080 HydrophobicContact CG2-CG1 4.28Å; T1019-I1080 HydrophobicContact CG2-CG2 3.45Å; T1019-I1080 VanDerWaalsContact CG2-CG2 3.45Å; F1037-I1080 HydrophobicContact CE2-CG1 4.37Å; F1037-I1080 HydrophobicContact CZ-CG1 4.27Å; L1076-I1080 HydrophobicContact CD1-CD1 3.92Å; L1076-I1080 HydrophobicContact CD1-CG1 4.24Å; L1076-I1080 HydrophobicContact CD2-CD1 4.3Å; L1076-I1080 HydrophobicContact CG-CD1 3.71Å; L1076-I1080 HydrophobicContact CG-CG1 4.37Å; L1076-I1080 WeakPolarHBondContact O-CB 3.29Å; L1076-I1080 VanDerWaalsContact O-CG1 3.32Å; L1076-I1080 WeakPolarHBondContact O-CG1 3.44Å; L1076-I1080 PolarHBondContact O-N 2.88Å; I1080-G1082 VanDerWaalsContact C-N 3.32Å; I1080-G1082 PolarHBondContact O-N 3.21Å; I1080-R1083 WeakPolarHBondContact O-CA 3.4Å; I1080-R1083 WeakPolarHBondContact O-CB 3.34Å; I1080-R1083 PolarHBondContact O-N 3.34Å; I1080-I1084 HydrophobicContact CG2-CD1 4.25Å; I1080-I1084 HydrophobicContact CG2-CG1 4.22Å; I1080-I1084 WeakPolarHBondContact O-CG1 3.47Å; I1080-I1084 PolarHBondContact O-N 3.24Å
1081	T	94.4	Very high	89.4	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-58.3	-43	178.5	-61	0	0	0	0	112.1	W1015 Y1016 A1077 I1078 E1079 R1083 I1084 Y1085 F1111 I1115	W1015-T1081 HydrophobicContact CB-CG2 3.98Å; Y1016-T1081 WeakPolarHBondContact CA-OG1 3.38Å; Y1016-T1081 PolarHBondContact N-OG1 3.11Å; A1077-T1081 WeakPolarHBondContact O-CB 3.25Å; A1077-T1081 PolarHBondContact O-N 3.06Å; A1077-T1081 PolarHBondContact O-OG1 3.21Å; I1078-T1081 PolarHBondContact O-N 3.39Å; E1079-T1081 VanDerWaalsContact C-N 3.32Å; E1079-T1081 PolarHBondContact O-N 2.88Å; T1081-R1083 VanDerWaalsContact C-N 3.33Å; T1081-R1083 PolarHBondContact O-N 3.49Å; T1081-I1084 PolarHBondContact O-N 3.2Å; T1081-Y1085 PolarHBondContact O-N 3.47Å; T1081-F1111 HydrophobicContact CG2-CE1 4.2Å; T1081-F1111 HydrophobicContact CG2-CZ 3.68Å; T1081-I1115 HydrophobicContact CG2-CD1 4.03Å
1082	G	92.7	Very high	89.4	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.7	-39.1	173.2	0	0	0	0	0	112.7	I1078 E1079 I1080 Y1085 K1086 Y1112 F1158	I1078-G1082 PolarHBondContact O-N 3.21Å; E1079-G1082 PolarHBondContact O-N 2.94Å; I1080-G1082 VanDerWaalsContact C-N 3.32Å; I1080-G1082 PolarHBondContact O-N 3.21Å; G1082-Y1085 PolarHBondContact O-N 3.43Å; G1082-K1086 PolarHBondContact O-N 2.95Å; G1082-Y1112 WeakPolarHBondContact CA-OH 3.26Å; G1082-F1158 WeakPolarHBondContact O-CE2 3.45Å
1083	R	91.4	Very high	89.2	Confident	25 Å²	25	30 Å²	30	9%	0.094	15%	0.153	C	C	.	.	H	α-helix	trans	-65.6	-40.7	175.4	-68.6	175.5	-178	-103.5	-8.4	112.1	I888 Y1038 E1079 I1080 T1081 Y1085 K1086 D1087 T1154	I888-R1083 HydrophobicContact CD1-CB 4.47Å; Y1038-R1083 VanDerWaalsContact CD1-NH2 3.29Å; E1079-R1083 WeakPolarHBondContact O-CG 3.32Å; E1079-R1083 PolarHBondContact O-N 2.94Å; E1079-R1083 VanDerWaalsContact O-N 3.1Å; E1079-R1083 IonicContact OE1-CZ 3.73Å; E1079-R1083 IonicContact OE1-NE 2.79Å; E1079-R1083 PolarHBondContact OE1-NE 2.91Å; E1079-R1083 IonicContact OE1-NH2 2.83Å; E1079-R1083 PolarHBondContact OE1-NH2 3.39Å; I1080-R1083 WeakPolarHBondContact O-CA 3.4Å; I1080-R1083 WeakPolarHBondContact O-CB 3.34Å; I1080-R1083 PolarHBondContact O-N 3.34Å; T1081-R1083 VanDerWaalsContact C-N 3.33Å; T1081-R1083 PolarHBondContact O-N 3.49Å; R1083-Y1085 VanDerWaalsContact C-N 3.25Å; R1083-Y1085 PolarHBondContact O-N 3.49Å; R1083-K1086 PolarHBondContact O-N 3.39Å; R1083-D1087 PolarHBondContact O-N 3.38Å; R1083-T1154 HydrophobicContact CG-CG2 3.8Å
1084	I	93.3	Very high	88.9	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.015	18%	0.184	C	C	.	.	H	α-helix	trans	-56.7	-46.6	173.8	-42.4	-153.3	0	0	0	109.6	P884 V885 I888 W1015 I1080 T1081 D1087 Y1088	P884-I1084 HydrophobicContact CB-CG2 3.54Å; V885-I1084 HydrophobicContact CB-CD1 4.1Å; V885-I1084 HydrophobicContact CG2-CD1 3.44Å; V885-I1084 VanDerWaalsContact CG2-CD1 3.44Å; I888-I1084 HydrophobicContact CD1-CB 3.85Å; I888-I1084 HydrophobicContact CD1-CD1 4.32Å; I888-I1084 HydrophobicContact CD1-CG1 3.53Å; I888-I1084 HydrophobicContact CD1-CG2 4.24Å; W1015-I1084 HydrophobicContact CB-CD1 4.26Å; W1015-I1084 HydrophobicContact CD2-CB 4.18Å; W1015-I1084 HydrophobicContact CD2-CG2 3.7Å; W1015-I1084 HydrophobicContact CE3-CB 4.09Å; W1015-I1084 HydrophobicContact CE3-CG2 3.93Å; W1015-I1084 HydrophobicContact CG-CD1 4.16Å; W1015-I1084 HydrophobicContact CG-CG2 4.26Å; W1015-I1084 HydrophobicContact CH2-CG2 4.04Å; W1015-I1084 HydrophobicContact CZ2-CG2 3.82Å; W1015-I1084 HydrophobicContact CZ3-CB 4.43Å; W1015-I1084 HydrophobicContact CZ3-CG2 4.09Å; I1080-I1084 HydrophobicContact CG2-CD1 4.25Å; I1080-I1084 HydrophobicContact CG2-CG1 4.22Å; I1080-I1084 WeakPolarHBondContact O-CG1 3.47Å; I1080-I1084 PolarHBondContact O-N 3.24Å; T1081-I1084 PolarHBondContact O-N 3.2Å; I1084-D1087 PolarHBondContact O-N 3.36Å; I1084-Y1088 WeakPolarHBondContact O-CB 3.13Å; I1084-Y1088 PolarHBondContact O-N 2.96Å
1085	Y	93.5	Very high	88.5	Confident	1 Å²	1	42.1 Å²	42.1	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-67.5	-36.6	179.9	-171.7	-126.6	0	0	0	113.1	W1015 T1081 G1082 R1083 Y1088 L1089 N1107 K1108 F1111 F1158	W1015-Y1085 HydrophobicContact CZ3-CD2 4.09Å; T1081-Y1085 PolarHBondContact O-N 3.47Å; G1082-Y1085 PolarHBondContact O-N 3.43Å; R1083-Y1085 VanDerWaalsContact C-N 3.25Å; R1083-Y1085 PolarHBondContact O-N 3.49Å; Y1085-Y1088 AromaticContact CD2-CD1 3.94Å; Y1085-Y1088 HydrophobicContact CD2-CD1 3.94Å; Y1085-Y1088 HydrophobicContact CE2-CD1 4.08Å; Y1085-Y1088 HydrophobicContact CE2-CE1 4.35Å; Y1085-Y1088 PolarHBondContact O-N 3.12Å; Y1085-L1089 HydrophobicContact CD1-CD1 4.03Å; Y1085-L1089 HydrophobicContact CD2-CG 4.38Å; Y1085-L1089 HydrophobicContact CE1-CD1 3.71Å; Y1085-L1089 HydrophobicContact CE1-CG 4.29Å; Y1085-L1089 HydrophobicContact CE2-CD1 4.41Å; Y1085-L1089 HydrophobicContact CE2-CD2 4.14Å; Y1085-L1089 HydrophobicContact CE2-CG 4.09Å; Y1085-L1089 WeakPolarHBondContact O-CB 3.4Å; Y1085-L1089 VanDerWaalsContact O-CG 3.3Å; Y1085-L1089 WeakPolarHBondContact O-CG 3.39Å; Y1085-L1089 PolarHBondContact O-N 3.03Å; Y1085-N1107 PolarHBondContact OH-O 3.03Å; Y1085-N1107 VanDerWaalsContact OH-O 3.08Å; Y1085-K1108 HydrophobicContact CE1-CG 4.43Å; Y1085-F1111 HydrophobicContact CD1-CB 4.32Å; Y1085-F1111 AromaticContact CD1-CD1 3.75Å; Y1085-F1111 HydrophobicContact CD1-CD1 3.75Å; Y1085-F1111 HydrophobicContact CD1-CD2 4.18Å; Y1085-F1111 HydrophobicContact CD1-CE1 4.02Å; Y1085-F1111 HydrophobicContact CD1-CE2 4.4Å; Y1085-F1111 AromaticContact CD1-CG 3.83Å; Y1085-F1111 HydrophobicContact CD1-CG 3.83Å; Y1085-F1111 HydrophobicContact CD1-CZ 4.32Å; Y1085-F1111 AromaticContact CD2-CD2 3.91Å; Y1085-F1111 HydrophobicContact CD2-CD2 3.91Å; Y1085-F1111 AromaticContact CD2-CE2 3.9Å; Y1085-F1111 HydrophobicContact CD2-CE2 3.9Å; Y1085-F1111 HydrophobicContact CD2-CG 4.37Å; Y1085-F1111 HydrophobicContact CD2-CZ 4.38Å; Y1085-F1111 HydrophobicContact CE1-CB 3.83Å; Y1085-F1111 HydrophobicContact CE1-CD1 4.12Å; Y1085-F1111 HydrophobicContact CE1-CD2 4.29Å; Y1085-F1111 AromaticContact CE1-CG 3.83Å; Y1085-F1111 HydrophobicContact CE1-CG 3.83Å; Y1085-F1111 HydrophobicContact CE2-CD2 4.05Å; Y1085-F1111 HydrophobicContact CE2-CE2 4.48Å; Y1085-F1111 HydrophobicContact CE2-CG 4.4Å; Y1085-F1111 HydrophobicContact CG-CD1 4.13Å; Y1085-F1111 AromaticContact CG-CD2 3.97Å; Y1085-F1111 HydrophobicContact CG-CD2 3.97Å; Y1085-F1111 HydrophobicContact CG-CE1 4.03Å; Y1085-F1111 AromaticContact CG-CE2 3.85Å; Y1085-F1111 HydrophobicContact CG-CE2 3.85Å; Y1085-F1111 HydrophobicContact CG-CG 4.09Å; Y1085-F1111 AromaticContact CG-CZ 3.87Å; Y1085-F1111 HydrophobicContact CG-CZ 3.87Å; Y1085-F1158 HydrophobicContact CD1-CE1 4.17Å; Y1085-F1158 HydrophobicContact CD1-CE2 4.06Å; Y1085-F1158 AromaticContact CD1-CZ 3.83Å; Y1085-F1158 HydrophobicContact CD1-CZ 3.83Å; Y1085-F1158 HydrophobicContact CE1-CE1 4.45Å
1086	K	90.1	Very high	88.1	Confident	32 Å²	32	46.9 Å²	46.9	14%	0.139	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-51.7	173.1	-174.8	-162.6	166.9	-150	0	111.3	D1043 F1045 G1082 R1083 Y1088 L1089 S1090 W1157 F1158	D1043-K1086 IonicContact OD2-NZ 3.61Å; D1043-K1086 PolarHBondContact OD2-NZ 2.05Å; F1045-K1086 HydrophobicContact CB-CD 4.23Å; F1045-K1086 HydrophobicContact CD1-CD 4.25Å; F1045-K1086 HydrophobicContact CG-CD 4.18Å; G1082-K1086 PolarHBondContact O-N 2.95Å; R1083-K1086 PolarHBondContact O-N 3.39Å; K1086-Y1088 PolarHBondContact O-N 3.41Å; K1086-L1089 PolarHBondContact O-N 2.93Å; K1086-S1090 PolarHBondContact O-N 3.1Å; K1086-W1157 HydrophobicContact CG-CZ3 4.35Å; K1086-F1158 HydrophobicContact CB-CE2 4.4Å; K1086-F1158 HydrophobicContact CB-CZ 3.86Å
1087	D	89.7	Confident	87.9	Confident	50 Å²	50	48.1 Å²	48.1	27%	0.267	25%	0.252	S	S	.	.	H	α-helix	trans	-63	-36.7	179.4	-70.7	-2.6	0	0	0	110.7	R1083 I1084 S1090 I1091	R1083-D1087 PolarHBondContact O-N 3.38Å; I1084-D1087 PolarHBondContact O-N 3.36Å; D1087-S1090 PolarHBondContact O-N 3.23Å; D1087-S1090 PolarHBondContact O-OG 2.77Å; D1087-I1091 WeakPolarHBondContact O-CD1 3.43Å; D1087-I1091 VanDerWaalsContact O-CG1 3.24Å; D1087-I1091 WeakPolarHBondContact O-CG1 3.35Å; D1087-I1091 PolarHBondContact O-N 3.27Å; D1087-I1091 VanDerWaalsContact O-N 3.09Å
1088	Y	88.9	Confident	87.5	Confident	16 Å²	16	52.2 Å²	52.2	6%	0.063	28%	0.28	C	S	.	.	H	α-helix	trans	-64.9	-44.6	174.7	169.8	-89	0	0	0	112.5	R1007 W1015 I1084 Y1085 K1086 S1090 I1091 H1092 D1097	R1007-Y1088 HydrophobicContact CB-CE2 4.44Å; R1007-Y1088 WeakPolarHBondContact CB-OH 3.44Å; R1007-Y1088 WeakPolarHBondContact CD-OH 3.4Å; R1007-Y1088 PolarHBondContact NE-OH 3.46Å; R1007-Y1088 PolarHBondContact NH1-OH 3.07Å; R1007-Y1088 VanDerWaalsContact NH1-OH 3.14Å; R1007-Y1088 PolarHBondContact NH2-OH 3.49Å; W1015-Y1088 HydrophobicContact CH2-CD2 4.11Å; W1015-Y1088 AromaticContact CH2-CG 3.96Å; W1015-Y1088 HydrophobicContact CH2-CG 3.96Å; I1084-Y1088 WeakPolarHBondContact O-CB 3.13Å; I1084-Y1088 PolarHBondContact O-N 2.96Å; Y1085-Y1088 AromaticContact CD2-CD1 3.94Å; Y1085-Y1088 HydrophobicContact CD2-CD1 3.94Å; Y1085-Y1088 HydrophobicContact CE2-CD1 4.08Å; Y1085-Y1088 HydrophobicContact CE2-CE1 4.35Å; Y1085-Y1088 PolarHBondContact O-N 3.12Å; K1086-Y1088 PolarHBondContact O-N 3.41Å; Y1088-S1090 VanDerWaalsContact C-N 3.28Å; Y1088-S1090 PolarHBondContact O-N 3.28Å; Y1088-I1091 PolarHBondContact O-N 2.97Å; Y1088-H1092 AromaticContact CD2-CD2 3.41Å; Y1088-H1092 VanDerWaalsContact CD2-CD2 3.41Å; Y1088-H1092 WeakPolarHBondContact CD2-CD2 3.23Å; Y1088-H1092 AromaticContact CD2-NE2 3.91Å; Y1088-H1092 AromaticContact CE2-CD2 3.14Å; Y1088-H1092 WeakPolarHBondContact CE2-CD2 3.33Å; Y1088-H1092 AromaticContact CE2-NE2 3.57Å; Y1088-H1092 AromaticContact CZ-CD2 3.68Å; Y1088-H1092 PolarHBondContact O-CD2 3.38Å; Y1088-H1092 PolarHBondContact O-N 3.2Å; Y1088-D1097 PolarHBondContact OH-OD2 2.86Å
1089	L	89	Confident	87.1	Confident	54 Å²	54	55.1 Å²	55.1	28%	0.283	30%	0.296	S	S	.	.	H	α-helix	trans	-63.7	-33.4	176.8	-74.6	173.8	0	0	0	112.2	Y1085 K1086 H1093 F1158	Y1085-L1089 HydrophobicContact CD1-CD1 4.03Å; Y1085-L1089 HydrophobicContact CD2-CG 4.38Å; Y1085-L1089 HydrophobicContact CE1-CD1 3.71Å; Y1085-L1089 HydrophobicContact CE1-CG 4.29Å; Y1085-L1089 HydrophobicContact CE2-CD1 4.41Å; Y1085-L1089 HydrophobicContact CE2-CD2 4.14Å; Y1085-L1089 HydrophobicContact CE2-CG 4.09Å; Y1085-L1089 WeakPolarHBondContact O-CB 3.4Å; Y1085-L1089 VanDerWaalsContact O-CG 3.3Å; Y1085-L1089 WeakPolarHBondContact O-CG 3.39Å; Y1085-L1089 PolarHBondContact O-N 3.03Å; K1086-L1089 PolarHBondContact O-N 2.93Å; L1089-H1093 WeakPolarHBondContact O-CA 3.38Å; L1089-H1093 PolarHBondContact O-N 2.95Å; L1089-H1093 VanDerWaalsContact O-N 3.11Å; L1089-F1158 HydrophobicContact CD1-CE1 3.76Å; L1089-F1158 HydrophobicContact CD1-CZ 4.22Å
1090	S	87.1	Confident	86.9	Confident	83 Å²	83	57.7 Å²	57.7	58%	0.58	31%	0.31	S	S	*	.	H	α-helix	trans	-71.5	-40.3	176.5	70.3	0	0	0	0	112	K1086 D1087 Y1088	K1086-S1090 PolarHBondContact O-N 3.1Å; D1087-S1090 PolarHBondContact O-N 3.23Å; D1087-S1090 PolarHBondContact O-OG 2.77Å; Y1088-S1090 VanDerWaalsContact C-N 3.28Å; Y1088-S1090 PolarHBondContact O-N 3.28Å
1091	I	86.4	Confident	86.5	Confident	127 Å²	127	62.9 Å²	62.9	65%	0.651	34%	0.344	S	S	*	.	H	α-helix	trans	-67.5	-41.2	176.8	-66.5	164.2	0	0	0	111.4	D1087 Y1088	D1087-I1091 WeakPolarHBondContact O-CD1 3.43Å; D1087-I1091 VanDerWaalsContact O-CG1 3.24Å; D1087-I1091 WeakPolarHBondContact O-CG1 3.35Å; D1087-I1091 PolarHBondContact O-N 3.27Å; D1087-I1091 VanDerWaalsContact O-N 3.09Å; Y1088-I1091 PolarHBondContact O-N 2.97Å
1092	H	83.6	Confident	86	Confident	57 Å²	57	65.8 Å²	65.8	26%	0.264	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	19.7	-175.7	-67.1	-72.5	0	0	0	114.4	R1007 Y1088 N1094 Q1095	R1007-H1092 PolarHBondContact NH1-CE1 3.42Å; R1007-H1092 VanDerWaalsContact NH1-CE1 3.32Å; R1007-H1092 PolarHBondContact NH1-ND1 2.68Å; R1007-H1092 VanDerWaalsContact NH1-ND1 3.17Å; Y1088-H1092 AromaticContact CD2-CD2 3.41Å; Y1088-H1092 VanDerWaalsContact CD2-CD2 3.41Å; Y1088-H1092 WeakPolarHBondContact CD2-CD2 3.23Å; Y1088-H1092 AromaticContact CD2-NE2 3.91Å; Y1088-H1092 AromaticContact CE2-CD2 3.14Å; Y1088-H1092 WeakPolarHBondContact CE2-CD2 3.33Å; Y1088-H1092 AromaticContact CE2-NE2 3.57Å; Y1088-H1092 AromaticContact CZ-CD2 3.68Å; Y1088-H1092 PolarHBondContact O-CD2 3.38Å; Y1088-H1092 PolarHBondContact O-N 3.2Å; H1092-N1094 PolarHBondContact O-N 2.9Å; H1092-Q1095 CarbonylContact O-C 3.38Å; H1092-Q1095 PolarHBondContact O-N 3.06Å
1093	H	78.5	Confident	85.7	Confident	144 Å²	144	69 Å²	69	67%	0.667	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-33.9	-179.7	-174	-74.1	0	0	0	113.1	L1089 Q1095	L1089-H1093 WeakPolarHBondContact O-CA 3.38Å; L1089-H1093 PolarHBondContact O-N 2.95Å; L1089-H1093 VanDerWaalsContact O-N 3.11Å; H1093-Q1095 VanDerWaalsContact C-N 3.32Å; H1093-Q1095 PolarHBondContact O-N 2.93Å
1094	N	79.4	Confident	85.4	Confident	152 Å²	152	77.7 Å²	77.7	81%	0.813	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-14.3	179.9	-64.8	-14.8	0	0	0	114	H1092	H1092-N1094 PolarHBondContact O-N 2.9Å
1095	Q	79.6	Confident	85.1	Confident	134 Å²	134	80.1 Å²	80.1	63%	0.626	44%	0.442	S	S	*	.	S	Bend	trans	-135.2	70	180	-68.8	-177.6	-12.6	0	0	109.7	R1007 H1092 H1093	R1007-Q1095 PolarHBondContact NH2-O 3.32Å; H1092-Q1095 CarbonylContact O-C 3.38Å; H1092-Q1095 PolarHBondContact O-N 3.06Å; H1093-Q1095 VanDerWaalsContact C-N 3.32Å; H1093-Q1095 PolarHBondContact O-N 2.93Å
1096	P	78.5	Confident	84.8	Confident	101 Å²	101	83.3 Å²	83.3	66%	0.656	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-64.9	139.3	178.5	28.2	-34.1	0	0	0	110
1097	D	84.2	Confident	84.8	Confident	25 Å²	25	83.5 Å²	83.5	13%	0.134	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-63.7	140.8	173.7	-66.7	-45.7	0	0	0	110.4	P1006 R1007 Y1008 Y1088 N1107	P1006-D1097 HydrophobicContact CB-CB 4.28Å; R1007-D1097 WeakPolarHBondContact CB-OD2 3.32Å; R1007-D1097 IonicContact CZ-OD1 3.75Å; R1007-D1097 VanDerWaalsContact CZ-OD1 3.24Å; R1007-D1097 IonicContact NE-OD1 2.74Å; R1007-D1097 PolarHBondContact NE-OD1 2.59Å; R1007-D1097 IonicContact NE-OD2 3.22Å; R1007-D1097 IonicContact NH2-OD1 3.22Å; R1007-D1097 PolarHBondContact NH2-OD1 3.32Å; R1007-D1097 IonicContact NH2-OD2 3.67Å; Y1008-D1097 HydrophobicContact CD1-CB 3.77Å; Y1008-D1097 HydrophobicContact CE1-CB 3.79Å; Y1088-D1097 PolarHBondContact OH-OD2 2.86Å; D1097-N1107 PolarHBondContact O-ND2 2.86Å
1098	S	83.8	Confident	84.8	Confident	86 Å²	86	84.7 Å²	84.7	60%	0.601	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-63.8	138.6	175.7	54.4	0	0	0	0	110.9	Y1008	Y1008-S1098 PolarHBondContact OH-O 2.79Å; Y1008-S1098 VanDerWaalsContact OH-O 3.05Å
1099	N	83.2	Confident	84.9	Confident	66 Å²	66	86.6 Å²	86.6	35%	0.353	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-69.6	154.1	169.2	-156.5	-1.2	0	0	0	110.4	L1105 L1110	N1099-L1105 PolarHBondContact ND2-O 2.77Å; N1099-L1105 PolarHBondContact OD1-O 3.09Å; N1099-L1110 WeakPolarHBondContact OD1-CD1 3.24Å
1100	L	85.3	Confident	84.9	Confident	54 Å²	54	84.4 Å²	84.4	28%	0.283	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-70.6	134.1	176.6	-71.2	175	0	0	0	110.4	L1009 G1102 I1103 L1110	L1009-L1100 HydrophobicContact CD1-CD1 3.87Å; L1009-L1100 HydrophobicContact CD1-CD2 4.02Å; L1009-L1100 HydrophobicContact CD1-CG 4.17Å; L1100-G1102 PolarHBondContact O-N 3.41Å; L1100-I1103 HydrophobicContact CB-CB 4.41Å; L1100-I1103 HydrophobicContact CB-CD1 3.67Å; L1100-I1103 HydrophobicContact CB-CG1 4.08Å; L1100-I1103 HydrophobicContact CD1-CD1 3.62Å; L1100-I1103 HydrophobicContact CG-CD1 4.32Å; L1100-I1103 PolarHBondContact O-N 2.93Å; L1100-L1110 HydrophobicContact CD1-CD1 4.45Å
1101	P	83.4	Confident	85.2	Confident	110 Å²	110	80.4 Å²	80.4	71%	0.714	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	133.5	-179.9	26.5	-33.6	0	0	0	111	I1103	P1101-I1103 VanDerWaalsContact C-N 3.34Å
1102	G	85.2	Confident	85.4	Confident	62 Å²	62	74.5 Å²	74.5	64%	0.639	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	2	178.4	0	0	0	0	0	115.3	L1100	L1100-G1102 PolarHBondContact O-N 3.41Å
1103	I	85	Confident	85.7	Confident	66 Å²	66	75.4 Å²	75.4	34%	0.338	41%	0.41	S	S	.	.			trans	-107.2	127.1	176.6	-51.5	-175.1	0	0	0	109.8	L1100 P1101 L1105 L1110	L1100-I1103 HydrophobicContact CB-CB 4.41Å; L1100-I1103 HydrophobicContact CB-CD1 3.67Å; L1100-I1103 HydrophobicContact CB-CG1 4.08Å; L1100-I1103 HydrophobicContact CD1-CD1 3.62Å; L1100-I1103 HydrophobicContact CG-CD1 4.32Å; L1100-I1103 PolarHBondContact O-N 2.93Å; P1101-I1103 VanDerWaalsContact C-N 3.34Å; I1103-L1105 VanDerWaalsContact C-N 3.31Å; I1103-L1105 HydrophobicContact CG2-CB 3.94Å; I1103-L1105 HydrophobicContact CG2-CD1 4.2Å; I1103-L1105 HydrophobicContact CG2-CG 4.12Å; I1103-L1110 HydrophobicContact CG2-CD1 4.49Å; I1103-L1110 HydrophobicContact CG2-CD2 4.05Å
1104	F	85.5	Confident	86.1	Confident	208 Å²	208	70.7 Å²	70.7	91%	0.912	39%	0.387	S	S	*	.			trans	-90.2	9.5	-178	-58.3	-75.4	0	0	0	113.9
1105	L	86.7	Confident	86.6	Confident	55 Å²	55	63.7 Å²	63.7	29%	0.288	35%	0.349	S	S	.	.	S	Bend	trans	-89.2	149.5	176.2	-64.6	171.4	0	0	0	110.3	N1099 I1103 E1109 L1110	N1099-L1105 PolarHBondContact ND2-O 2.77Å; N1099-L1105 PolarHBondContact OD1-O 3.09Å; I1103-L1105 VanDerWaalsContact C-N 3.31Å; I1103-L1105 HydrophobicContact CG2-CB 3.94Å; I1103-L1105 HydrophobicContact CG2-CD1 4.2Å; I1103-L1105 HydrophobicContact CG2-CG 4.12Å; L1105-E1109 WeakPolarHBondContact CA-OE2 3.14Å; L1105-E1109 HydrophobicContact CB-CB 4.19Å; L1105-E1109 HydrophobicContact CD2-CB 4.31Å; L1105-L1110 HydrophobicContact CB-CD2 4.1Å; L1105-L1110 HydrophobicContact CB-CG 3.93Å; L1105-L1110 HydrophobicContact CD1-CD2 4Å
1106	T	88.7	Confident	87	Confident	67 Å²	67	59.2 Å²	59.2	41%	0.411	33%	0.328	S	S	.	.			trans	-72.7	158.5	173.9	65.1	0	0	0	0	111.1	K1108 E1109 L1110	T1106-K1108 PolarHBondContact O-N 3.05Å; T1106-K1108 VanDerWaalsContact O-N 3.1Å; T1106-E1109 PolarHBondContact N-OE2 3Å; T1106-E1109 PolarHBondContact O-N 2.66Å; T1106-E1109 VanDerWaalsContact O-N 3.1Å; T1106-E1109 WeakPolarHBondContact OG1-CG 3.4Å; T1106-E1109 PolarHBondContact OG1-N 2.98Å; T1106-E1109 PolarHBondContact OG1-OE2 3.28Å; T1106-L1110 WeakPolarHBondContact O-CG 3.48Å; T1106-L1110 PolarHBondContact O-N 3Å
1107	N	89.6	Confident	87.3	Confident	36 Å²	36	59.7 Å²	59.7	19%	0.193	32%	0.321	C	S	.	.	H	α-helix	trans	-56.5	-28.1	173.3	-64.7	-1	0	0	0	112.4	Y1008 Y1085 D1097 F1111	Y1008-N1107 HydrophobicContact CD1-CB 4.14Å; Y1008-N1107 HydrophobicContact CE1-CB 4.17Å; Y1085-N1107 PolarHBondContact OH-O 3.03Å; Y1085-N1107 VanDerWaalsContact OH-O 3.08Å; D1097-N1107 PolarHBondContact O-ND2 2.86Å; N1107-F1111 WeakPolarHBondContact O-CB 3.3Å; N1107-F1111 PolarHBondContact O-N 3.21Å; N1107-F1111 VanDerWaalsContact O-N 3.1Å
1108	K	89.9	Confident	87.2	Confident	75 Å²	75	60.6 Å²	60.6	33%	0.326	33%	0.326	S	S	.	.	H	α-helix	trans	-70.9	-44.1	177.3	-66.9	169.7	171.3	-174.9	0	111.7	Y1085 T1106 F1111 F1158	Y1085-K1108 HydrophobicContact CE1-CG 4.43Å; T1106-K1108 PolarHBondContact O-N 3.05Å; T1106-K1108 VanDerWaalsContact O-N 3.1Å; K1108-F1111 WeakPolarHBondContact O-CB 3.35Å; K1108-F1158 HydrophobicContact CB-CB 4.37Å; K1108-F1158 HydrophobicContact CB-CD1 4.16Å; K1108-F1158 HydrophobicContact CD-CD1 3.78Å; K1108-F1158 HydrophobicContact CD-CE1 4.38Å; K1108-F1158 HydrophobicContact CG-CD1 3.75Å; K1108-F1158 HydrophobicContact CG-CE1 4.25Å
1109	E	89.5	Confident	87	Confident	56 Å²	56	57.6 Å²	57.6	26%	0.262	30%	0.303	S	S	.	.	H	α-helix	trans	-68.7	-42.6	176.1	-68.3	163.6	137.6	0	0	111.3	L1105 T1106 F1111 Y1112 Q1113 M1159	L1105-E1109 WeakPolarHBondContact CA-OE2 3.14Å; L1105-E1109 HydrophobicContact CB-CB 4.19Å; L1105-E1109 HydrophobicContact CD2-CB 4.31Å; T1106-E1109 PolarHBondContact N-OE2 3Å; T1106-E1109 PolarHBondContact O-N 2.66Å; T1106-E1109 VanDerWaalsContact O-N 3.1Å; T1106-E1109 WeakPolarHBondContact OG1-CG 3.4Å; T1106-E1109 PolarHBondContact OG1-N 2.98Å; T1106-E1109 PolarHBondContact OG1-OE2 3.28Å; E1109-F1111 VanDerWaalsContact C-N 3.3Å; E1109-F1111 PolarHBondContact O-N 3.36Å; E1109-Y1112 PolarHBondContact O-N 3.49Å; E1109-Q1113 WeakPolarHBondContact O-CB 3.48Å; E1109-Q1113 PolarHBondContact O-N 3.09Å; E1109-M1159 HydrophobicContact CB-CE 4.49Å; E1109-M1159 HydrophobicContact CB-SD 4.18Å; E1109-M1159 HydrophobicContact CG-CE 4.15Å; E1109-M1159 HydrophobicContact CG-SD 3.89Å
1110	L	90.2	Very high	86.9	Confident	8 Å²	8	56.2 Å²	56.2	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-35.7	177.7	-75.6	176.9	0	0	0	113	Y1008 N1099 L1100 I1103 L1105 T1106 Q1113 W1114	Y1008-L1110 HydrophobicContact CD2-CB 4.02Å; Y1008-L1110 HydrophobicContact CE2-CB 3.72Å; Y1008-L1110 HydrophobicContact CE2-CD1 3.95Å; Y1008-L1110 HydrophobicContact CE2-CG 4.49Å; N1099-L1110 WeakPolarHBondContact OD1-CD1 3.24Å; L1100-L1110 HydrophobicContact CD1-CD1 4.45Å; I1103-L1110 HydrophobicContact CG2-CD1 4.49Å; I1103-L1110 HydrophobicContact CG2-CD2 4.05Å; L1105-L1110 HydrophobicContact CB-CD2 4.1Å; L1105-L1110 HydrophobicContact CB-CG 3.93Å; L1105-L1110 HydrophobicContact CD1-CD2 4Å; T1106-L1110 WeakPolarHBondContact O-CG 3.48Å; T1106-L1110 PolarHBondContact O-N 3Å; L1110-Q1113 PolarHBondContact O-N 3.16Å; L1110-W1114 VanDerWaalsContact O-CB 3.23Å; L1110-W1114 WeakPolarHBondContact O-CB 3.46Å; L1110-W1114 PolarHBondContact O-N 3.43Å
1111	F	92.6	Very high	86	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-54.7	-54.1	175.9	173	-104	0	0	0	111.8	Y1008 G1012 W1015 T1081 Y1085 N1107 K1108 E1109 I1115	Y1008-F1111 WeakPolarHBondContact O-CD2 3.42Å; G1012-F1111 VanDerWaalsContact CA-CE2 3.42Å; W1015-F1111 AromaticContact CE3-CE2 4Å; W1015-F1111 HydrophobicContact CE3-CE2 4Å; W1015-F1111 HydrophobicContact CE3-CZ 4.18Å; W1015-F1111 HydrophobicContact CZ3-CE2 4.01Å; W1015-F1111 HydrophobicContact CZ3-CZ 4.42Å; T1081-F1111 HydrophobicContact CG2-CE1 4.2Å; T1081-F1111 HydrophobicContact CG2-CZ 3.68Å; Y1085-F1111 HydrophobicContact CD1-CB 4.32Å; Y1085-F1111 AromaticContact CD1-CD1 3.75Å; Y1085-F1111 HydrophobicContact CD1-CD1 3.75Å; Y1085-F1111 HydrophobicContact CD1-CD2 4.18Å; Y1085-F1111 HydrophobicContact CD1-CE1 4.02Å; Y1085-F1111 HydrophobicContact CD1-CE2 4.4Å; Y1085-F1111 AromaticContact CD1-CG 3.83Å; Y1085-F1111 HydrophobicContact CD1-CG 3.83Å; Y1085-F1111 HydrophobicContact CD1-CZ 4.32Å; Y1085-F1111 AromaticContact CD2-CD2 3.91Å; Y1085-F1111 HydrophobicContact CD2-CD2 3.91Å; Y1085-F1111 AromaticContact CD2-CE2 3.9Å; Y1085-F1111 HydrophobicContact CD2-CE2 3.9Å; Y1085-F1111 HydrophobicContact CD2-CG 4.37Å; Y1085-F1111 HydrophobicContact CD2-CZ 4.38Å; Y1085-F1111 HydrophobicContact CE1-CB 3.83Å; Y1085-F1111 HydrophobicContact CE1-CD1 4.12Å; Y1085-F1111 HydrophobicContact CE1-CD2 4.29Å; Y1085-F1111 AromaticContact CE1-CG 3.83Å; Y1085-F1111 HydrophobicContact CE1-CG 3.83Å; Y1085-F1111 HydrophobicContact CE2-CD2 4.05Å; Y1085-F1111 HydrophobicContact CE2-CE2 4.48Å; Y1085-F1111 HydrophobicContact CE2-CG 4.4Å; Y1085-F1111 HydrophobicContact CG-CD1 4.13Å; Y1085-F1111 AromaticContact CG-CD2 3.97Å; Y1085-F1111 HydrophobicContact CG-CD2 3.97Å; Y1085-F1111 HydrophobicContact CG-CE1 4.03Å; Y1085-F1111 AromaticContact CG-CE2 3.85Å; Y1085-F1111 HydrophobicContact CG-CE2 3.85Å; Y1085-F1111 HydrophobicContact CG-CG 4.09Å; Y1085-F1111 AromaticContact CG-CZ 3.87Å; Y1085-F1111 HydrophobicContact CG-CZ 3.87Å; N1107-F1111 WeakPolarHBondContact O-CB 3.3Å; N1107-F1111 PolarHBondContact O-N 3.21Å; N1107-F1111 VanDerWaalsContact O-N 3.1Å; K1108-F1111 WeakPolarHBondContact O-CB 3.35Å; E1109-F1111 VanDerWaalsContact C-N 3.3Å; E1109-F1111 PolarHBondContact O-N 3.36Å; F1111-I1115 HydrophobicContact CD1-CD1 4.09Å; F1111-I1115 HydrophobicContact CD2-CD1 4.47Å; F1111-I1115 HydrophobicContact CE1-CD1 3.67Å; F1111-I1115 HydrophobicContact CE2-CD1 4.1Å; F1111-I1115 HydrophobicContact CG-CD1 4.48Å; F1111-I1115 HydrophobicContact CZ-CD1 3.69Å; F1111-I1115 WeakPolarHBondContact O-CG1 3.28Å; F1111-I1115 PolarHBondContact O-N 2.96Å
1112	Y	91.9	Very high	85	Confident	3 Å²	3	54.1 Å²	54.1	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-72	-41	179.8	-80.1	-68.6	0	0	0	112.3	I1078 G1082 E1109 W1114 I1115 F1116 F1155 F1158 M1159	I1078-Y1112 HydrophobicContact CG2-CE1 4.15Å; G1082-Y1112 WeakPolarHBondContact CA-OH 3.26Å; E1109-Y1112 PolarHBondContact O-N 3.49Å; Y1112-W1114 VanDerWaalsContact C-N 3.26Å; Y1112-W1114 PolarHBondContact O-N 3.41Å; Y1112-I1115 HydrophobicContact CD1-CD1 4.41Å; Y1112-I1115 WeakPolarHBondContact O-CB 3.32Å; Y1112-I1115 PolarHBondContact O-N 3.34Å; Y1112-F1116 HydrophobicContact CD1-CE1 4.46Å; Y1112-F1116 AromaticContact CD1-CZ 3.81Å; Y1112-F1116 HydrophobicContact CD1-CZ 3.81Å; Y1112-F1116 HydrophobicContact CG-CZ 4.23Å; Y1112-F1116 WeakPolarHBondContact O-CD2 3.21Å; Y1112-F1116 WeakPolarHBondContact O-CE2 2.96Å; Y1112-F1116 WeakPolarHBondContact O-CG 3.06Å; Y1112-F1116 PolarHBondContact O-N 2.95Å; Y1112-F1155 AromaticContact CD1-CD2 3.76Å; Y1112-F1155 HydrophobicContact CD1-CD2 3.76Å; Y1112-F1155 HydrophobicContact CD1-CE2 4.33Å; Y1112-F1155 AromaticContact CD2-CD2 3.76Å; Y1112-F1155 HydrophobicContact CD2-CD2 3.76Å; Y1112-F1155 HydrophobicContact CD2-CE2 4.3Å; Y1112-F1155 HydrophobicContact CE1-CB 4.35Å; Y1112-F1155 AromaticContact CE1-CD2 3.91Å; Y1112-F1155 HydrophobicContact CE1-CD2 3.91Å; Y1112-F1155 HydrophobicContact CE2-CB 4.39Å; Y1112-F1155 AromaticContact CE2-CD2 3.92Å; Y1112-F1155 HydrophobicContact CE2-CD2 3.92Å; Y1112-F1155 AromaticContact CG-CD2 3.68Å; Y1112-F1155 HydrophobicContact CG-CD2 3.68Å; Y1112-F1155 HydrophobicContact CG-CE2 4.01Å; Y1112-F1155 AromaticContact CZ-CD2 3.98Å; Y1112-F1155 PolarHBondContact OH-N 2.79Å; Y1112-F1158 HydrophobicContact CD2-CB 4.42Å; Y1112-F1158 HydrophobicContact CE2-CB 3.9Å; Y1112-F1158 AromaticContact CE2-CD2 3.82Å; Y1112-F1158 HydrophobicContact CE2-CD2 3.82Å; Y1112-F1158 HydrophobicContact CE2-CG 4.25Å; Y1112-M1159 HydrophobicContact CD2-CG 4.37Å; Y1112-M1159 HydrophobicContact CD2-SD 4.39Å
1113	Q	89.3	Confident	83.9	Confident	75 Å²	75	53.5 Å²	53.5	35%	0.35	28%	0.283	S	S	.	.	H	α-helix	trans	-56.7	-42.8	176.8	179.6	175.1	-20.5	0	0	111.6	E1109 L1110 F1116 Q1117	E1109-Q1113 WeakPolarHBondContact O-CB 3.48Å; E1109-Q1113 PolarHBondContact O-N 3.09Å; L1110-Q1113 PolarHBondContact O-N 3.16Å; Q1113-F1116 PolarHBondContact O-N 3.02Å; Q1113-Q1117 HydrophobicContact CG-CG 4.35Å; Q1113-Q1117 VanDerWaalsContact NE2-NE2 3.17Å; Q1113-Q1117 WeakPolarHBondContact O-CG 3.4Å; Q1113-Q1117 PolarHBondContact O-N 2.89Å
1114	W	87.7	Confident	82.3	Confident	46 Å²	46	54.9 Å²	54.9	17%	0.174	29%	0.291	C	S	.	.	H	α-helix	trans	-66.2	-42.6	179	-173.4	-107.1	0	0	0	112.6	W996 P997 L1009 L1110 Y1112 F1116 Q1117 L1118	W996-W1114 AromaticContact CH2-CH2 3.74Å; W996-W1114 HydrophobicContact CH2-CH2 3.74Å; W996-W1114 AromaticContact CH2-CZ2 3.35Å; W996-W1114 HydrophobicContact CH2-CZ2 3.35Å; W996-W1114 AromaticContact CZ2-CH2 3.63Å; W996-W1114 HydrophobicContact CZ2-CH2 3.63Å; W996-W1114 AromaticContact CZ2-CZ2 3.7Å; W996-W1114 HydrophobicContact CZ2-CZ2 3.7Å; W996-W1114 HydrophobicContact CZ3-CZ2 4.05Å; P997-W1114 HydrophobicContact CB-CZ2 4.24Å; L1009-W1114 HydrophobicContact CB-CD2 4.48Å; L1009-W1114 HydrophobicContact CB-CG 4.38Å; L1009-W1114 HydrophobicContact CD2-CB 3.76Å; L1009-W1114 HydrophobicContact CD2-CD2 3.74Å; L1009-W1114 HydrophobicContact CD2-CE3 4.02Å; L1009-W1114 HydrophobicContact CD2-CG 3.62Å; L1009-W1114 PolarHBondContact O-NE1 3.38Å; L1110-W1114 VanDerWaalsContact O-CB 3.23Å; L1110-W1114 WeakPolarHBondContact O-CB 3.46Å; L1110-W1114 PolarHBondContact O-N 3.43Å; Y1112-W1114 VanDerWaalsContact C-N 3.26Å; Y1112-W1114 PolarHBondContact O-N 3.41Å; W1114-F1116 PolarHBondContact O-N 3.12Å; W1114-Q1117 PolarHBondContact O-N 3.28Å; W1114-L1118 HydrophobicContact CZ2-CD1 4.31Å; W1114-L1118 VanDerWaalsContact NE1-CD1 3.33Å; W1114-L1118 PolarHBondContact O-N 3.37Å; W1114-L1118 VanDerWaalsContact O-N 3.14Å
1115	I	89.5	Confident	80.8	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-53.9	-46.3	171.9	-69.4	168.3	0	0	0	110.1	G1012 Y1016 T1081 F1111 Y1112 L1118 I1119	G1012-I1115 VanDerWaalsContact C-CG1 3.46Å; Y1016-I1115 HydrophobicContact CG-CG2 4.34Å; T1081-I1115 HydrophobicContact CG2-CD1 4.03Å; F1111-I1115 HydrophobicContact CD1-CD1 4.09Å; F1111-I1115 HydrophobicContact CD2-CD1 4.47Å; F1111-I1115 HydrophobicContact CE1-CD1 3.67Å; F1111-I1115 HydrophobicContact CE2-CD1 4.1Å; F1111-I1115 HydrophobicContact CG-CD1 4.48Å; F1111-I1115 HydrophobicContact CZ-CD1 3.69Å; F1111-I1115 WeakPolarHBondContact O-CG1 3.28Å; F1111-I1115 PolarHBondContact O-N 2.96Å; Y1112-I1115 HydrophobicContact CD1-CD1 4.41Å; Y1112-I1115 WeakPolarHBondContact O-CB 3.32Å; Y1112-I1115 PolarHBondContact O-N 3.34Å; I1115-L1118 PolarHBondContact O-N 3Å; I1115-I1119 HydrophobicContact CG2-CD1 3.62Å; I1115-I1119 WeakPolarHBondContact O-CD1 3.03Å; I1115-I1119 VanDerWaalsContact O-CG1 3.3Å; I1115-I1119 WeakPolarHBondContact O-CG1 3.38Å; I1115-I1119 PolarHBondContact O-N 3.47Å
1116	F	87.8	Confident	79	Confident	41 Å²	41	52.2 Å²	52.2	18%	0.18	29%	0.286	C	S	.	.	H	α-helix	trans	-71.5	-36.4	-179.2	-52.7	-36.3	0	0	0	113	Y1112 Q1113 W1114 L1118 I1119 C1120 I1145 L1149 F1155	Y1112-F1116 HydrophobicContact CD1-CE1 4.46Å; Y1112-F1116 AromaticContact CD1-CZ 3.81Å; Y1112-F1116 HydrophobicContact CD1-CZ 3.81Å; Y1112-F1116 HydrophobicContact CG-CZ 4.23Å; Y1112-F1116 WeakPolarHBondContact O-CD2 3.21Å; Y1112-F1116 WeakPolarHBondContact O-CE2 2.96Å; Y1112-F1116 WeakPolarHBondContact O-CG 3.06Å; Y1112-F1116 PolarHBondContact O-N 2.95Å; Q1113-F1116 PolarHBondContact O-N 3.02Å; W1114-F1116 PolarHBondContact O-N 3.12Å; F1116-L1118 PolarHBondContact O-N 3.39Å; F1116-I1119 PolarHBondContact O-N 3.07Å; F1116-C1120 WeakPolarHBondContact O-CA 3.42Å; F1116-C1120 WeakPolarHBondContact O-CB 3.49Å; F1116-C1120 PolarHBondContact O-N 3.24Å; F1116-I1145 HydrophobicContact CD1-CG2 3.77Å; F1116-I1145 HydrophobicContact CE1-CG2 3.57Å; F1116-L1149 HydrophobicContact CE1-CD1 3.81Å; F1116-L1149 HydrophobicContact CE1-CD2 3.87Å; F1116-L1149 HydrophobicContact CE1-CG 4.3Å; F1116-L1149 HydrophobicContact CE2-CD1 3.9Å; F1116-L1149 HydrophobicContact CE2-CD2 4.41Å; F1116-L1149 HydrophobicContact CZ-CD1 3.42Å; F1116-L1149 VanDerWaalsContact CZ-CD1 3.42Å; F1116-L1149 HydrophobicContact CZ-CD2 3.39Å; F1116-L1149 HydrophobicContact CZ-CG 3.99Å; F1116-F1155 HydrophobicContact CE2-CE2 4.01Å; F1116-F1155 HydrophobicContact CZ-CD2 4.45Å; F1116-F1155 HydrophobicContact CZ-CE2 4.01Å
1117	Q	84.8	Confident	76.9	Confident	110 Å²	110	54.9 Å²	54.9	51%	0.514	30%	0.297	S	S	.	.	H	α-helix	trans	-64.6	-30.3	177	-76.5	178.3	-18.1	0	0	112.7	Q1113 W1114	Q1113-Q1117 HydrophobicContact CG-CG 4.35Å; Q1113-Q1117 VanDerWaalsContact NE2-NE2 3.17Å; Q1113-Q1117 WeakPolarHBondContact O-CG 3.4Å; Q1113-Q1117 PolarHBondContact O-N 2.89Å; W1114-Q1117 PolarHBondContact O-N 3.28Å
1118	L	82	Confident	74.9	Confident	45 Å²	45	54.6 Å²	54.6	24%	0.236	30%	0.297	C	S	.	.	H	α-helix	trans	-81.2	-25.3	177.3	-75.9	172	0	0	0	113.8	P997 Y1013 W1114 I1115 F1116	P997-L1118 HydrophobicContact CB-CD2 4.49Å; P997-L1118 HydrophobicContact CG-CD2 4.43Å; Y1013-L1118 VanDerWaalsContact CB-CD1 3.48Å; Y1013-L1118 HydrophobicContact CD1-CD1 4.2Å; Y1013-L1118 HydrophobicContact CD2-CB 3.71Å; Y1013-L1118 HydrophobicContact CD2-CD1 4.24Å; Y1013-L1118 HydrophobicContact CE2-CB 4.2Å; Y1013-L1118 HydrophobicContact CG-CB 4.07Å; Y1013-L1118 HydrophobicContact CG-CD1 3.72Å; W1114-L1118 HydrophobicContact CZ2-CD1 4.31Å; W1114-L1118 VanDerWaalsContact NE1-CD1 3.33Å; W1114-L1118 PolarHBondContact O-N 3.37Å; W1114-L1118 VanDerWaalsContact O-N 3.14Å; I1115-L1118 PolarHBondContact O-N 3Å; F1116-L1118 PolarHBondContact O-N 3.39Å
1119	I	80	Confident	72.8	Confident	22 Å²	22	55 Å²	55	11%	0.113	30%	0.302	C	S	.	.	H	α-helix	trans	-98	-42.5	-178.9	-59.4	161.8	0	0	0	111.3	Y1013 Y1016 I1115 F1116 E1141 I1145	Y1013-I1119 HydrophobicContact CD2-CD1 4.3Å; Y1013-I1119 HydrophobicContact CD2-CG1 3.82Å; Y1013-I1119 HydrophobicContact CE2-CG1 3.75Å; Y1016-I1119 HydrophobicContact CD1-CD1 3.38Å; Y1016-I1119 HydrophobicContact CD1-CG1 4.46Å; Y1016-I1119 HydrophobicContact CE1-CD1 3.39Å; Y1016-I1119 HydrophobicContact CE1-CG1 4.42Å; Y1016-I1119 HydrophobicContact CG-CD1 4.2Å; I1115-I1119 HydrophobicContact CG2-CD1 3.62Å; I1115-I1119 WeakPolarHBondContact O-CD1 3.03Å; I1115-I1119 VanDerWaalsContact O-CG1 3.3Å; I1115-I1119 WeakPolarHBondContact O-CG1 3.38Å; I1115-I1119 PolarHBondContact O-N 3.47Å; F1116-I1119 PolarHBondContact O-N 3.07Å; I1119-E1141 HydrophobicContact CG2-CB 4.37Å; I1119-E1141 HydrophobicContact CG2-CG 3.66Å; I1119-I1145 HydrophobicContact CB-CD1 4.2Å; I1119-I1145 HydrophobicContact CD1-CD1 3.69Å; I1119-I1145 HydrophobicContact CG2-CD1 3.6Å
1120	C	79.9	Confident	70.7	Confident	38 Å²	38	53.4 Å²	53.4	26%	0.257	30%	0.296	S	S	.	.	S	Bend	trans	-94.8	121.1	-171.7	-59.9	0	0	0	0	112.2	F1116 C1142	F1116-C1120 WeakPolarHBondContact O-CA 3.42Å; F1116-C1120 WeakPolarHBondContact O-CB 3.49Å; F1116-C1120 PolarHBondContact O-N 3.24Å; C1120-C1142 WeakPolarHBondContact CA-SG 3.12Å; C1120-C1142 HydrophobicContact CB-CB 3.98Å; C1120-C1142 WeakPolarHBondContact CB-SG 3.37Å; C1120-C1142 WeakPolarHBondContact SG-CB 3.31Å; C1120-C1142 CovalentContact SG-SG 2.03Å; C1120-C1142 PolarHBondContact SG-SG 3.41Å
1121	P	66.7	Low	68.7	Low	34 Å²	34	55.4 Å²	55.4	22%	0.221	31%	0.305	C	S	.	.			trans	-75.7	149.3	178.9	32.8	-36	0	0	0	111.5	F1123 L1135 I1139	P1121-F1123 HydrophobicContact CB-CD2 3.22Å; P1121-F1123 HydrophobicContact CB-CE2 3.1Å; P1121-F1123 HydrophobicContact CB-CG 4.21Å; P1121-F1123 HydrophobicContact CB-CZ 4.02Å; P1121-F1123 HydrophobicContact CG-CD2 3.56Å; P1121-F1123 HydrophobicContact CG-CE2 3.82Å; P1121-F1123 PolarHBondContact O-N 2.75Å; P1121-F1123 VanDerWaalsContact O-N 3.08Å; P1121-L1135 HydrophobicContact CB-CD1 4.23Å; P1121-L1135 HydrophobicContact CG-CD1 3.88Å; P1121-I1139 HydrophobicContact CG-CG1 4.17Å
1122	G	61.6	Low	66.6	Low	86 Å²	86	57 Å²	57	89%	0.887	31%	0.314	S	S	*	.			trans	-81.8	45	177.1	0	0	0	0	0	114.7
1123	F	62.5	Low	64.7	Low	48 Å²	48	59.9 Å²	59.9	21%	0.211	33%	0.326	C	S	.	.			trans	-93.3	155.1	-174.4	-62.5	-50.7	0	0	0	115.2	S837 L838 P1121 Y1125 L1135	S837-F1123 WeakPolarHBondContact O-CD1 3.46Å; S837-F1123 WeakPolarHBondContact O-CE1 3.42Å; S837-F1123 VanDerWaalsContact O-CZ 3.32Å; S837-F1123 WeakPolarHBondContact O-CZ 3.44Å; L838-F1123 VanDerWaalsContact C-CE1 3.49Å; L838-F1123 VanDerWaalsContact CA-CE1 3.43Å; L838-F1123 HydrophobicContact CD2-CZ 4.17Å; P1121-F1123 HydrophobicContact CB-CD2 3.22Å; P1121-F1123 HydrophobicContact CB-CE2 3.1Å; P1121-F1123 HydrophobicContact CB-CG 4.21Å; P1121-F1123 HydrophobicContact CB-CZ 4.02Å; P1121-F1123 HydrophobicContact CG-CD2 3.56Å; P1121-F1123 HydrophobicContact CG-CE2 3.82Å; P1121-F1123 PolarHBondContact O-N 2.75Å; P1121-F1123 VanDerWaalsContact O-N 3.08Å; F1123-Y1125 PolarHBondContact O-N 3.41Å; F1123-L1135 HydrophobicContact CD2-CD1 3.42Å; F1123-L1135 VanDerWaalsContact CD2-CD1 3.42Å; F1123-L1135 HydrophobicContact CD2-CD2 4.11Å; F1123-L1135 HydrophobicContact CD2-CG 4.38Å; F1123-L1135 HydrophobicContact CE2-CD1 3.17Å; F1123-L1135 HydrophobicContact CE2-CD2 3.88Å; F1123-L1135 HydrophobicContact CE2-CG 4.17Å; F1123-L1135 HydrophobicContact CZ-CD1 4.35Å
1124	D	52.8	Low	63.1	Low	96 Å²	96	59.6 Å²	59.6	51%	0.513	33%	0.329	S	S	.	.			trans	-83.5	101.3	166.2	-169.6	-6.7	0	0	0	109.7	S1126 N1127	D1124-S1126 PolarHBondContact O-N 2.62Å; D1124-S1126 WeakPolarHBondContact OD1-CB 2.93Å; D1124-S1126 PolarHBondContact OD1-N 3.28Å; D1124-S1126 PolarHBondContact OD1-OG 2.76Å; D1124-S1126 PolarHBondContact OD2-OG 3.09Å; D1124-N1127 PolarHBondContact O-N 3.28Å
1125	Y	53.8	Low	61.7	Low	119 Å²	119	57.8 Å²	57.8	47%	0.467	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-22.4	179.4	-73.2	-92.3	0	0	0	113.7	F1123 I1139 R1146	F1123-Y1125 PolarHBondContact O-N 3.41Å; Y1125-I1139 HydrophobicContact CE1-CG2 3.77Å; Y1125-R1146 PolarHBondContact OH-NH2 2.79Å
1126	S	48.4	Very low	60.4	Low	87 Å²	87	60.9 Å²	60.9	61%	0.608	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-27	-175.1	67.4	0	0	0	0	114.4	D1124	D1124-S1126 PolarHBondContact O-N 2.62Å; D1124-S1126 WeakPolarHBondContact OD1-CB 2.93Å; D1124-S1126 PolarHBondContact OD1-N 3.28Å; D1124-S1126 PolarHBondContact OD1-OG 2.76Å; D1124-S1126 PolarHBondContact OD2-OG 3.09Å
1127	N	45.3	Very low	59.4	Low	123 Å²	123	64.6 Å²	64.6	66%	0.658	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-8.4	-169.5	-74.5	-35.3	0	0	0	114.5	D1124	D1124-N1127 PolarHBondContact O-N 3.28Å
1128	T	46.1	Very low	58.7	Low	31 Å²	31	60.4 Å²	60.4	19%	0.19	34%	0.34	C	S	.	.			trans	-104.7	90.9	-169.2	56.1	0	0	0	0	112.4	T1130	T1128-T1130 VanDerWaalsContact C-N 3.29Å; T1128-T1130 HydrophobicContact CG2-CG2 4.25Å; T1128-T1130 PolarHBondContact O-N 3.09Å
1129	I	45.9	Very low	58.1	Low	84 Å²	84	59.3 Å²	59.3	43%	0.431	33%	0.334	S	S	.	.			trans	-77.1	90.6	151	-56	177.4	0	0	0	105.6	P620	P620-I1129 HydrophobicContact CB-CD1 4.21Å; P620-I1129 HydrophobicContact CG-CD1 3.54Å; P620-I1129 HydrophobicContact CG-CG2 3.71Å
1130	T	47	Very low	58	Low	21 Å²	21	63.9 Å²	63.9	13%	0.129	35%	0.353	C	S	.	.			trans	-110.8	120.9	177.8	54.1	0	0	0	0	109.9	T1128 N1132 L1135	T1128-T1130 VanDerWaalsContact C-N 3.29Å; T1128-T1130 HydrophobicContact CG2-CG2 4.25Å; T1128-T1130 PolarHBondContact O-N 3.09Å; T1130-N1132 VanDerWaalsContact C-N 3.26Å; T1130-L1135 HydrophobicContact CG2-CD2 3.75Å; T1130-L1135 WeakPolarHBondContact OG1-CD2 3.31Å
1131	H	47	Very low	58	Low	50 Å²	50	62.8 Å²	62.8	23%	0.231	34%	0.344	C	S	.	.			trans	-86.8	3.1	170.5	-68.7	80.6	0	0	0	112.4	D616 I619 K1133	D616-H1131 HydrophobicContact CB-CB 3.84Å; D616-H1131 PolarHBondContact O-CE1 2.89Å; D616-H1131 PolarHBondContact O-ND1 3.18Å; I619-H1131 HydrophobicContact CD1-CB 4.44Å; I619-H1131 VanDerWaalsContact CD1-CD2 3.43Å; I619-H1131 WeakPolarHBondContact CD1-CD2 3.45Å; I619-H1131 VanDerWaalsContact CD1-CE1 3.44Å; I619-H1131 WeakPolarHBondContact CD1-CE1 3.21Å; I619-H1131 WeakPolarHBondContact CD1-NE2 3.13Å; H1131-K1133 PolarHBondContact O-N 3.41Å
1132	N	49.6	Very low	58.8	Low	35 Å²	35	61.4 Å²	61.4	19%	0.187	34%	0.335	C	S	.	.			trans	-63.5	109.4	173.9	-177.1	-21.3	0	0	0	109.2	Y834 T1130 V1134 L1135 L1136	Y834-N1132 PolarHBondContact OH-ND2 3.04Å; Y834-N1132 VanDerWaalsContact OH-ND2 3.1Å; T1130-N1132 VanDerWaalsContact C-N 3.26Å; N1132-V1134 PolarHBondContact O-N 2.88Å; N1132-V1134 WeakPolarHBondContact OD1-CB 3.26Å; N1132-V1134 PolarHBondContact OD1-N 3.45Å; N1132-L1135 HydrophobicContact CB-CB 3.93Å; N1132-L1135 PolarHBondContact O-N 3.23Å; N1132-L1135 VanDerWaalsContact O-N 3.09Å; N1132-L1135 PolarHBondContact OD1-N 3.34Å; N1132-L1136 WeakPolarHBondContact O-CB 3.48Å; N1132-L1136 PolarHBondContact O-N 2.89Å
1133	K	51.3	Low	59.8	Low	63 Å²	63	60.2 Å²	60.2	27%	0.274	31%	0.309	S	S	.	.	H	α-helix	trans	-56.8	-35.2	-179.3	-72.3	169	-173.7	142.1	0	112.7	E607 E734 H1131 H1137	E607-K1133 IonicContact OE1-NZ 2.79Å; E607-K1133 PolarHBondContact OE1-NZ 2.62Å; E734-K1133 WeakPolarHBondContact OE1-CE 3.35Å; E734-K1133 IonicContact OE1-NZ 3.07Å; E734-K1133 PolarHBondContact OE1-NZ 3.4Å; H1131-K1133 PolarHBondContact O-N 3.41Å; K1133-H1137 WeakPolarHBondContact O-CB 3.44Å; K1133-H1137 PolarHBondContact O-N 3.33Å
1134	V	54.7	Low	60.9	Low	69 Å²	69	59.1 Å²	59.1	42%	0.418	31%	0.306	S	S	.	.	H	α-helix	trans	-65.6	-47.8	177.1	-177.4	0	0	0	0	109.9	G973 N1132 H1137 S1138	G973-V1134 WeakPolarHBondContact O-CG2 3.3Å; N1132-V1134 PolarHBondContact O-N 2.88Å; N1132-V1134 WeakPolarHBondContact OD1-CB 3.26Å; N1132-V1134 PolarHBondContact OD1-N 3.45Å; V1134-H1137 PolarHBondContact O-N 3.41Å; V1134-S1138 PolarHBondContact O-N 2.96Å; V1134-S1138 PolarHBondContact O-OG 2.88Å
1135	L	58.4	Low	62.4	Low	8 Å²	8	54.8 Å²	54.8	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-64.5	-49.8	-179.6	178.6	48.3	0	0	0	110.7	L838 P1121 F1123 T1130 N1132 H1137 S1138 I1139	L838-L1135 HydrophobicContact CD2-CD2 4.41Å; P1121-L1135 HydrophobicContact CB-CD1 4.23Å; P1121-L1135 HydrophobicContact CG-CD1 3.88Å; F1123-L1135 HydrophobicContact CD2-CD1 3.42Å; F1123-L1135 VanDerWaalsContact CD2-CD1 3.42Å; F1123-L1135 HydrophobicContact CD2-CD2 4.11Å; F1123-L1135 HydrophobicContact CD2-CG 4.38Å; F1123-L1135 HydrophobicContact CE2-CD1 3.17Å; F1123-L1135 HydrophobicContact CE2-CD2 3.88Å; F1123-L1135 HydrophobicContact CE2-CG 4.17Å; F1123-L1135 HydrophobicContact CZ-CD1 4.35Å; T1130-L1135 HydrophobicContact CG2-CD2 3.75Å; T1130-L1135 WeakPolarHBondContact OG1-CD2 3.31Å; N1132-L1135 HydrophobicContact CB-CB 3.93Å; N1132-L1135 PolarHBondContact O-N 3.23Å; N1132-L1135 VanDerWaalsContact O-N 3.09Å; N1132-L1135 PolarHBondContact OD1-N 3.34Å; L1135-H1137 PolarHBondContact O-N 2.83Å; L1135-S1138 WeakPolarHBondContact CA-OG 3.31Å; L1135-S1138 PolarHBondContact O-N 2.89Å; L1135-S1138 VanDerWaalsContact O-N 3.07Å; L1135-S1138 PolarHBondContact O-OG 3.18Å; L1135-I1139 HydrophobicContact CD1-CD1 3.88Å; L1135-I1139 HydrophobicContact CD1-CG1 4.07Å; L1135-I1139 HydrophobicContact CG-CD1 3.92Å; L1135-I1139 WeakPolarHBondContact O-CG1 3.5Å; L1135-I1139 PolarHBondContact O-N 2.83Å
1136	L	63.7	Low	63.9	Low	68 Å²	68	55.2 Å²	55.2	36%	0.356	28%	0.283	S	S	.	.	H	α-helix	trans	-58.7	-37.8	176.1	-173.1	65.6	0	0	0	111.8	N1132 K1140	N1132-L1136 WeakPolarHBondContact O-CB 3.48Å; N1132-L1136 PolarHBondContact O-N 2.89Å; L1136-K1140 HydrophobicContact CG-CD 4.31Å; L1136-K1140 WeakPolarHBondContact O-CB 3.49Å; L1136-K1140 VanDerWaalsContact O-CG 3.23Å; L1136-K1140 WeakPolarHBondContact O-CG 3.42Å; L1136-K1140 PolarHBondContact O-N 2.85Å
1137	H	66.9	Low	65.5	Low	119 Å²	119	53.1 Å²	53.1	55%	0.551	27%	0.267	S	S	*	.	H	α-helix	trans	-65.7	-44.8	174.3	-173.6	68.1	0	0	0	111.6	K1133 V1134 L1135 I1139 K1140 E1141	K1133-H1137 WeakPolarHBondContact O-CB 3.44Å; K1133-H1137 PolarHBondContact O-N 3.33Å; V1134-H1137 PolarHBondContact O-N 3.41Å; L1135-H1137 PolarHBondContact O-N 2.83Å; H1137-I1139 PolarHBondContact O-N 3.2Å; H1137-K1140 PolarHBondContact O-N 2.87Å; H1137-E1141 WeakPolarHBondContact O-CB 3.31Å; H1137-E1141 PolarHBondContact O-N 3.29Å
1138	S	68.2	Low	67.3	Low	22 Å²	22	47.2 Å²	47.2	15%	0.154	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-39.3	176.5	69.6	0	0	0	0	112.6	V1134 L1135 E1141 C1142	V1134-S1138 PolarHBondContact O-N 2.96Å; V1134-S1138 PolarHBondContact O-OG 2.88Å; L1135-S1138 WeakPolarHBondContact CA-OG 3.31Å; L1135-S1138 PolarHBondContact O-N 2.89Å; L1135-S1138 VanDerWaalsContact O-N 3.07Å; L1135-S1138 PolarHBondContact O-OG 3.18Å; S1138-E1141 WeakPolarHBondContact O-CB 3.5Å; S1138-E1141 PolarHBondContact O-N 3.46Å; S1138-C1142 WeakPolarHBondContact O-CB 3.36Å; S1138-C1142 PolarHBondContact O-N 3.43Å; S1138-C1142 PolarHBondContact O-SG 2.91Å
1139	I	71.2	Confident	69.1	Low	23 Å²	23	46.8 Å²	46.8	12%	0.118	23%	0.232	C	C	.	.	H	α-helix	trans	-64.1	-51.3	175.9	-70	165.9	0	0	0	110.5	P1121 Y1125 L1135 H1137 E1141 C1142 D1143	P1121-I1139 HydrophobicContact CG-CG1 4.17Å; Y1125-I1139 HydrophobicContact CE1-CG2 3.77Å; L1135-I1139 HydrophobicContact CD1-CD1 3.88Å; L1135-I1139 HydrophobicContact CD1-CG1 4.07Å; L1135-I1139 HydrophobicContact CG-CD1 3.92Å; L1135-I1139 WeakPolarHBondContact O-CG1 3.5Å; L1135-I1139 PolarHBondContact O-N 2.83Å; H1137-I1139 PolarHBondContact O-N 3.2Å; I1139-E1141 PolarHBondContact O-N 3.11Å; I1139-C1142 PolarHBondContact O-N 2.68Å; I1139-D1143 PolarHBondContact O-N 3.04Å
1140	K	76.7	Confident	70.8	Confident	117 Å²	117	49.2 Å²	49.2	51%	0.509	24%	0.239	S	C	.	.	H	α-helix	trans	-56.8	-41.9	175.7	-75.3	174.4	178.8	-179.8	0	110.9	L1136 H1137 C1142 D1143 V1144	L1136-K1140 HydrophobicContact CG-CD 4.31Å; L1136-K1140 WeakPolarHBondContact O-CB 3.49Å; L1136-K1140 VanDerWaalsContact O-CG 3.23Å; L1136-K1140 WeakPolarHBondContact O-CG 3.42Å; L1136-K1140 PolarHBondContact O-N 2.85Å; H1137-K1140 PolarHBondContact O-N 2.87Å; K1140-C1142 VanDerWaalsContact C-N 3.31Å; K1140-C1142 PolarHBondContact O-N 3.2Å; K1140-D1143 PolarHBondContact O-N 3.46Å; K1140-V1144 WeakPolarHBondContact O-CB 3.33Å; K1140-V1144 VanDerWaalsContact O-CG2 3.24Å; K1140-V1144 WeakPolarHBondContact O-CG2 3.24Å; K1140-V1144 PolarHBondContact O-N 3.06Å
1141	E	80.5	Confident	72.3	Confident	15 Å²	15	48.3 Å²	48.3	7%	0.07	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-39.8	177.4	-175.5	59.8	-175.1	0	0	112.1	Y1016 K1020 S1074 I1119 H1137 S1138 I1139 V1144 I1145	Y1016-E1141 PolarHBondContact OH-OE1 2.83Å; K1020-E1141 VanDerWaalsContact CE-OE1 3.31Å; K1020-E1141 WeakPolarHBondContact CE-OE1 3.46Å; K1020-E1141 IonicContact NZ-OE1 3.4Å; K1020-E1141 PolarHBondContact NZ-OE1 3.32Å; K1020-E1141 IonicContact NZ-OE2 2.77Å; K1020-E1141 PolarHBondContact NZ-OE2 2.87Å; S1074-E1141 PolarHBondContact OG-OE1 2.7Å; S1074-E1141 VanDerWaalsContact OG-OE1 3.07Å; I1119-E1141 HydrophobicContact CG2-CB 4.37Å; I1119-E1141 HydrophobicContact CG2-CG 3.66Å; H1137-E1141 WeakPolarHBondContact O-CB 3.31Å; H1137-E1141 PolarHBondContact O-N 3.29Å; S1138-E1141 WeakPolarHBondContact O-CB 3.5Å; S1138-E1141 PolarHBondContact O-N 3.46Å; I1139-E1141 PolarHBondContact O-N 3.11Å; E1141-V1144 CarbonylContact O-C 3.6Å; E1141-V1144 WeakPolarHBondContact O-CB 3.25Å; E1141-V1144 PolarHBondContact O-N 2.82Å; E1141-I1145 HydrophobicContact CG-CD1 3.96Å; E1141-I1145 HydrophobicContact CG-CG1 4.47Å; E1141-I1145 WeakPolarHBondContact O-CB 3.16Å; E1141-I1145 VanDerWaalsContact O-CG1 3.29Å; E1141-I1145 WeakPolarHBondContact O-CG1 3.35Å; E1141-I1145 PolarHBondContact O-N 3.24Å
1142	C	83.2	Confident	74.2	Confident	5 Å²	5	46 Å²	46	3%	0.034	22%	0.223	C	C	.	.	H	α-helix	trans	-71.6	-35.9	178.6	-73	0	0	0	0	114	C1120 S1138 I1139 K1140 V1144 I1145 R1146	C1120-C1142 WeakPolarHBondContact CA-SG 3.12Å; C1120-C1142 HydrophobicContact CB-CB 3.98Å; C1120-C1142 WeakPolarHBondContact CB-SG 3.37Å; C1120-C1142 WeakPolarHBondContact SG-CB 3.31Å; C1120-C1142 CovalentContact SG-SG 2.03Å; C1120-C1142 PolarHBondContact SG-SG 3.41Å; S1138-C1142 WeakPolarHBondContact O-CB 3.36Å; S1138-C1142 PolarHBondContact O-N 3.43Å; S1138-C1142 PolarHBondContact O-SG 2.91Å; I1139-C1142 PolarHBondContact O-N 2.68Å; K1140-C1142 VanDerWaalsContact C-N 3.31Å; K1140-C1142 PolarHBondContact O-N 3.2Å; C1142-V1144 VanDerWaalsContact C-N 3.27Å; C1142-V1144 PolarHBondContact O-N 3.46Å; C1142-I1145 PolarHBondContact O-N 3.44Å; C1142-R1146 WeakPolarHBondContact O-CB 3.44Å; C1142-R1146 PolarHBondContact O-N 3.18Å
1143	D	82.8	Confident	75.9	Confident	62 Å²	62	44.3 Å²	44.3	33%	0.332	21%	0.214	S	C	.	.	H	α-helix	trans	-64.6	-37.8	171.7	-69.1	-31.1	0	0	0	110.9	I1139 K1140 R1146 T1147	I1139-D1143 PolarHBondContact O-N 3.04Å; K1140-D1143 PolarHBondContact O-N 3.46Å; D1143-R1146 IonicContact OD1-CZ 2.93Å; D1143-R1146 IonicContact OD1-NH1 2.98Å; D1143-R1146 PolarHBondContact OD1-NH1 2.87Å; D1143-R1146 IonicContact OD1-NH2 2.79Å; D1143-T1147 WeakPolarHBondContact O-CB 3.26Å; D1143-T1147 PolarHBondContact O-N 3.37Å; D1143-T1147 VanDerWaalsContact O-N 3.14Å; D1143-T1147 PolarHBondContact O-OG1 3.37Å
1144	V	84.7	Confident	77.7	Confident	25 Å²	25	41.3 Å²	41.3	15%	0.152	20%	0.201	C	C	.	.	H	α-helix	trans	-65.9	-45.5	173.1	169.9	0	0	0	0	111.5	V1071 S1074 K1140 E1141 C1142 T1147 A1148	V1071-V1144 HydrophobicContact CB-CG1 4.44Å; V1071-V1144 HydrophobicContact CG1-CG1 4.47Å; V1071-V1144 HydrophobicContact CG2-CG2 4.17Å; S1074-V1144 WeakPolarHBondContact OG-CG1 3.32Å; K1140-V1144 WeakPolarHBondContact O-CB 3.33Å; K1140-V1144 VanDerWaalsContact O-CG2 3.24Å; K1140-V1144 WeakPolarHBondContact O-CG2 3.24Å; K1140-V1144 PolarHBondContact O-N 3.06Å; E1141-V1144 CarbonylContact O-C 3.6Å; E1141-V1144 WeakPolarHBondContact O-CB 3.25Å; E1141-V1144 PolarHBondContact O-N 2.82Å; C1142-V1144 VanDerWaalsContact C-N 3.27Å; C1142-V1144 PolarHBondContact O-N 3.46Å; V1144-T1147 WeakPolarHBondContact O-CB 3.21Å; V1144-T1147 PolarHBondContact O-N 3.08Å; V1144-A1148 WeakPolarHBondContact O-CB 3.35Å; V1144-A1148 PolarHBondContact O-N 3.41Å
1145	I	86	Confident	79.4	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-47.3	176.7	-74.7	169.4	0	0	0	110.3	Y1016 I1078 F1116 I1119 E1141 C1142 T1147 A1148 L1149	Y1016-I1145 HydrophobicContact CE1-CD1 4.21Å; Y1016-I1145 WeakPolarHBondContact OH-CG1 3.39Å; I1078-I1145 HydrophobicContact CD1-CB 4.27Å; I1078-I1145 HydrophobicContact CD1-CG1 4.23Å; I1078-I1145 HydrophobicContact CD1-CG2 3.83Å; F1116-I1145 HydrophobicContact CD1-CG2 3.77Å; F1116-I1145 HydrophobicContact CE1-CG2 3.57Å; I1119-I1145 HydrophobicContact CB-CD1 4.2Å; I1119-I1145 HydrophobicContact CD1-CD1 3.69Å; I1119-I1145 HydrophobicContact CG2-CD1 3.6Å; E1141-I1145 HydrophobicContact CG-CD1 3.96Å; E1141-I1145 HydrophobicContact CG-CG1 4.47Å; E1141-I1145 WeakPolarHBondContact O-CB 3.16Å; E1141-I1145 VanDerWaalsContact O-CG1 3.29Å; E1141-I1145 WeakPolarHBondContact O-CG1 3.35Å; E1141-I1145 PolarHBondContact O-N 3.24Å; C1142-I1145 PolarHBondContact O-N 3.44Å; I1145-T1147 PolarHBondContact O-N 3.39Å; I1145-A1148 CarbonylContact O-C 3.57Å; I1145-A1148 WeakPolarHBondContact O-CA 3.39Å; I1145-A1148 WeakPolarHBondContact O-CB 3.43Å; I1145-A1148 PolarHBondContact O-N 3.49Å; I1145-L1149 HydrophobicContact CG2-CD1 3.91Å; I1145-L1149 HydrophobicContact CG2-CG 4.09Å; I1145-L1149 VanDerWaalsContact O-CG 3.23Å; I1145-L1149 WeakPolarHBondContact O-CG 3.41Å; I1145-L1149 PolarHBondContact O-N 3.48Å
1146	R	84.2	Confident	80.8	Confident	128 Å²	128	41.4 Å²	41.4	48%	0.483	19%	0.194	S	C	.	.	H	α-helix	trans	-54.8	-39	176.9	-172.3	-173.3	-64.2	130	2.8	111.7	Y1125 C1142 D1143	Y1125-R1146 PolarHBondContact OH-NH2 2.79Å; C1142-R1146 WeakPolarHBondContact O-CB 3.44Å; C1142-R1146 PolarHBondContact O-N 3.18Å; D1143-R1146 IonicContact OD1-CZ 2.93Å; D1143-R1146 IonicContact OD1-NH1 2.98Å; D1143-R1146 PolarHBondContact OD1-NH1 2.87Å; D1143-R1146 IonicContact OD1-NH2 2.79Å
1147	T	81.4	Confident	81.9	Confident	43 Å²	43	41.5 Å²	41.5	26%	0.264	19%	0.19	S	C	.	.	H	α-helix	trans	-69.5	-44.2	176.5	-59.3	0	0	0	0	110.7	W1065 V1071 D1143 V1144 I1145 L1149 K1150	W1065-T1147 HydrophobicContact CD2-CG2 4.23Å; W1065-T1147 HydrophobicContact CE3-CG2 3.92Å; W1065-T1147 HydrophobicContact CH2-CG2 3.04Å; W1065-T1147 HydrophobicContact CZ2-CG2 3.38Å; W1065-T1147 HydrophobicContact CZ3-CG2 3.3Å; W1065-T1147 VanDerWaalsContact CZ3-O 3.31Å; W1065-T1147 WeakPolarHBondContact CZ3-O 3.18Å; V1071-T1147 HydrophobicContact CG1-CG2 4.3Å; D1143-T1147 WeakPolarHBondContact O-CB 3.26Å; D1143-T1147 PolarHBondContact O-N 3.37Å; D1143-T1147 VanDerWaalsContact O-N 3.14Å; D1143-T1147 PolarHBondContact O-OG1 3.37Å; V1144-T1147 WeakPolarHBondContact O-CB 3.21Å; V1144-T1147 PolarHBondContact O-N 3.08Å; I1145-T1147 PolarHBondContact O-N 3.39Å; T1147-L1149 PolarHBondContact O-N 2.86Å; T1147-K1150 PolarHBondContact O-N 3.15Å
1148	A	83.7	Confident	82.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.8	-37.4	178.6	0	0	0	0	0	114.4	I1075 I1078 V1144 I1145 K1150 L1151 S1152	I1075-A1148 HydrophobicContact CB-CB 4.22Å; I1075-A1148 HydrophobicContact CG1-CB 3.49Å; I1075-A1148 VanDerWaalsContact CG1-CB 3.49Å; I1078-A1148 HydrophobicContact CD1-CB 3.56Å; V1144-A1148 WeakPolarHBondContact O-CB 3.35Å; V1144-A1148 PolarHBondContact O-N 3.41Å; I1145-A1148 CarbonylContact O-C 3.57Å; I1145-A1148 WeakPolarHBondContact O-CA 3.39Å; I1145-A1148 WeakPolarHBondContact O-CB 3.43Å; I1145-A1148 PolarHBondContact O-N 3.49Å; A1148-K1150 VanDerWaalsContact C-N 3.29Å; A1148-K1150 PolarHBondContact O-N 3.37Å; A1148-L1151 CarbonylContact O-C 3.57Å; A1148-L1151 PolarHBondContact O-N 3.12Å; A1148-S1152 PolarHBondContact O-N 2.99Å; A1148-S1152 VanDerWaalsContact O-N 3.09Å
1149	L	84.6	Confident	83.9	Confident	22 Å²	22	37.6 Å²	37.6	12%	0.115	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-36	178.7	-67.4	170.7	0	0	0	112.6	I1078 F1116 I1145 T1147 L1151 S1152 F1155	I1078-L1149 HydrophobicContact CD1-CD2 3.8Å; I1078-L1149 HydrophobicContact CD1-CG 4.06Å; I1078-L1149 HydrophobicContact CG2-CD2 3.91Å; F1116-L1149 HydrophobicContact CE1-CD1 3.81Å; F1116-L1149 HydrophobicContact CE1-CD2 3.87Å; F1116-L1149 HydrophobicContact CE1-CG 4.3Å; F1116-L1149 HydrophobicContact CE2-CD1 3.9Å; F1116-L1149 HydrophobicContact CE2-CD2 4.41Å; F1116-L1149 HydrophobicContact CZ-CD1 3.42Å; F1116-L1149 VanDerWaalsContact CZ-CD1 3.42Å; F1116-L1149 HydrophobicContact CZ-CD2 3.39Å; F1116-L1149 HydrophobicContact CZ-CG 3.99Å; I1145-L1149 HydrophobicContact CG2-CD1 3.91Å; I1145-L1149 HydrophobicContact CG2-CG 4.09Å; I1145-L1149 VanDerWaalsContact O-CG 3.23Å; I1145-L1149 WeakPolarHBondContact O-CG 3.41Å; I1145-L1149 PolarHBondContact O-N 3.48Å; T1147-L1149 PolarHBondContact O-N 2.86Å; L1149-L1151 PolarHBondContact O-N 2.99Å; L1149-L1151 VanDerWaalsContact O-N 3.16Å; L1149-S1152 PolarHBondContact O-N 2.95Å; L1149-F1155 HydrophobicContact CB-CD1 3.94Å; L1149-F1155 HydrophobicContact CB-CE1 3.94Å; L1149-F1155 HydrophobicContact CB-CG 4.36Å; L1149-F1155 HydrophobicContact CB-CZ 4.32Å; L1149-F1155 HydrophobicContact CD1-CE2 4.35Å; L1149-F1155 HydrophobicContact CD1-CZ 4.23Å; L1149-F1155 HydrophobicContact CD2-CB 4.15Å; L1149-F1155 HydrophobicContact CD2-CD1 4.03Å; L1149-F1155 HydrophobicContact CD2-CD2 3.42Å; L1149-F1155 VanDerWaalsContact CD2-CD2 3.42Å; L1149-F1155 HydrophobicContact CD2-CE1 4.28Å; L1149-F1155 HydrophobicContact CD2-CE2 3.67Å; L1149-F1155 HydrophobicContact CD2-CG 3.58Å; L1149-F1155 HydrophobicContact CD2-CZ 4.1Å; L1149-F1155 HydrophobicContact CG-CE2 4.45Å; L1149-F1155 HydrophobicContact CG-CZ 4.44Å; L1149-F1155 WeakPolarHBondContact O-CD1 3.44Å
1150	K	80.5	Confident	84.5	Confident	135 Å²	135	44.6 Å²	44.6	59%	0.587	20%	0.202	S	C	*	.	H	α-helix	trans	-59.7	-27	175	-65.9	179.3	179.8	-177.8	0	112.2	T1147 A1148 R1156	T1147-K1150 PolarHBondContact O-N 3.15Å; A1148-K1150 VanDerWaalsContact C-N 3.29Å; A1148-K1150 PolarHBondContact O-N 3.37Å; K1150-R1156 PolarHBondContact O-NE 3.29Å; K1150-R1156 VanDerWaalsContact O-NE 3.11Å; K1150-R1156 PolarHBondContact O-NH2 3.36Å
1151	L	79.4	Confident	84.7	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	4.8	-177.5	-66.3	-167.4	0	0	0	114.8	F1058 Q1061 W1065 A1148 L1149 P1153	F1058-L1151 HydrophobicContact CD2-CD2 3.7Å; F1058-L1151 HydrophobicContact CE2-CB 3.81Å; F1058-L1151 HydrophobicContact CE2-CD2 3.65Å; F1058-L1151 HydrophobicContact CE2-CG 4.25Å; F1058-L1151 WeakPolarHBondContact CE2-O 3.26Å; F1058-L1151 HydrophobicContact CZ-CB 4.41Å; F1058-L1151 WeakPolarHBondContact CZ-O 3.35Å; Q1061-L1151 HydrophobicContact CB-CD1 4.24Å; Q1061-L1151 HydrophobicContact CB-CD2 4.25Å; W1065-L1151 HydrophobicContact CD2-CD1 4.1Å; W1065-L1151 HydrophobicContact CE3-CD1 3.13Å; W1065-L1151 HydrophobicContact CE3-CG 4.02Å; W1065-L1151 HydrophobicContact CH2-CD1 3.94Å; W1065-L1151 HydrophobicContact CH2-CG 4.06Å; W1065-L1151 HydrophobicContact CZ3-CB 4.32Å; W1065-L1151 HydrophobicContact CZ3-CD1 3.07Å; W1065-L1151 HydrophobicContact CZ3-CG 3.41Å; W1065-L1151 VanDerWaalsContact CZ3-CG 3.41Å; A1148-L1151 CarbonylContact O-C 3.57Å; A1148-L1151 PolarHBondContact O-N 3.12Å; L1149-L1151 PolarHBondContact O-N 2.99Å; L1149-L1151 VanDerWaalsContact O-N 3.16Å; L1151-P1153 VanDerWaalsContact O-CD 3.25Å; L1151-P1153 WeakPolarHBondContact O-CD 3.29Å
1152	S	86.1	Confident	83.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.			trans	-93.7	113.2	178.6	171.1	0	0	0	0	110.3	E1079 A1148 L1149 T1154 F1155 R1156	E1079-S1152 PolarHBondContact OE2-OG 3.26Å; A1148-S1152 PolarHBondContact O-N 2.99Å; A1148-S1152 VanDerWaalsContact O-N 3.09Å; L1149-S1152 PolarHBondContact O-N 2.95Å; S1152-T1154 VanDerWaalsContact C-N 3.32Å; S1152-T1154 PolarHBondContact O-N 3.27Å; S1152-T1154 PolarHBondContact OG-OG1 2.84Å; S1152-F1155 PolarHBondContact O-N 3.34Å; S1152-F1155 PolarHBondContact OG-N 3.24Å; S1152-R1156 PolarHBondContact O-N 3.19Å; S1152-R1156 VanDerWaalsContact O-N 3.12Å
1153	P	86	Confident	83.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-36.5	175.2	-24.5	35.7	0	0	0	113	Y1038 F1045 V1049 F1052 F1058 E1079 L1151 R1156 W1157	Y1038-P1153 HydrophobicContact CE1-CG 3.76Å; F1045-P1153 HydrophobicContact CE2-CB 4.47Å; F1045-P1153 HydrophobicContact CZ-CB 4.18Å; V1049-P1153 HydrophobicContact CG2-CB 3.74Å; V1049-P1153 HydrophobicContact CG2-CG 4.44Å; F1052-P1153 HydrophobicContact CD1-CB 4.37Å; F1052-P1153 HydrophobicContact CD1-CG 3.93Å; F1052-P1153 HydrophobicContact CE1-CG 4Å; F1058-P1153 HydrophobicContact CZ-CG 4.38Å; E1079-P1153 VanDerWaalsContact OE2-CD 3.26Å; E1079-P1153 WeakPolarHBondContact OE2-CD 3.37Å; L1151-P1153 VanDerWaalsContact O-CD 3.25Å; L1151-P1153 WeakPolarHBondContact O-CD 3.29Å; P1153-R1156 PolarHBondContact O-N 2.97Å; P1153-W1157 VanDerWaalsContact O-CB 3.31Å; P1153-W1157 WeakPolarHBondContact O-CB 3.32Å; P1153-W1157 PolarHBondContact O-N 3.06Å
1154	T	89.2	Confident	84	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-62.4	-44.9	175.8	48	0	0	0	0	112.1	F1045 E1079 R1083 S1152 W1157 F1158	F1045-T1154 HydrophobicContact CE1-CG2 4.07Å; F1045-T1154 HydrophobicContact CE2-CG2 3.94Å; F1045-T1154 HydrophobicContact CZ-CG2 3.37Å; E1079-T1154 WeakPolarHBondContact OE2-CB 3.2Å; E1079-T1154 WeakPolarHBondContact OE2-CG2 3.29Å; E1079-T1154 PolarHBondContact OE2-N 3.41Å; E1079-T1154 PolarHBondContact OE2-OG1 2.93Å; R1083-T1154 HydrophobicContact CG-CG2 3.8Å; S1152-T1154 VanDerWaalsContact C-N 3.32Å; S1152-T1154 PolarHBondContact O-N 3.27Å; S1152-T1154 PolarHBondContact OG-OG1 2.84Å; T1154-W1157 PolarHBondContact O-N 3.39Å; T1154-F1158 WeakPolarHBondContact O-CB 3.42Å; T1154-F1158 WeakPolarHBondContact O-CD2 3.48Å; T1154-F1158 PolarHBondContact O-N 3.05Å
1155	F	90.9	Very high	84	Confident	28 Å²	28	51.6 Å²	51.6	12%	0.123	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-49.5	175.9	175.2	-101.3	0	0	0	111.7	Y1112 F1116 L1149 S1152 W1157 F1158 M1159	Y1112-F1155 AromaticContact CD1-CD2 3.76Å; Y1112-F1155 HydrophobicContact CD1-CD2 3.76Å; Y1112-F1155 HydrophobicContact CD1-CE2 4.33Å; Y1112-F1155 AromaticContact CD2-CD2 3.76Å; Y1112-F1155 HydrophobicContact CD2-CD2 3.76Å; Y1112-F1155 HydrophobicContact CD2-CE2 4.3Å; Y1112-F1155 HydrophobicContact CE1-CB 4.35Å; Y1112-F1155 AromaticContact CE1-CD2 3.91Å; Y1112-F1155 HydrophobicContact CE1-CD2 3.91Å; Y1112-F1155 HydrophobicContact CE2-CB 4.39Å; Y1112-F1155 AromaticContact CE2-CD2 3.92Å; Y1112-F1155 HydrophobicContact CE2-CD2 3.92Å; Y1112-F1155 AromaticContact CG-CD2 3.68Å; Y1112-F1155 HydrophobicContact CG-CD2 3.68Å; Y1112-F1155 HydrophobicContact CG-CE2 4.01Å; Y1112-F1155 AromaticContact CZ-CD2 3.98Å; Y1112-F1155 PolarHBondContact OH-N 2.79Å; F1116-F1155 HydrophobicContact CE2-CE2 4.01Å; F1116-F1155 HydrophobicContact CZ-CD2 4.45Å; F1116-F1155 HydrophobicContact CZ-CE2 4.01Å; L1149-F1155 HydrophobicContact CB-CD1 3.94Å; L1149-F1155 HydrophobicContact CB-CE1 3.94Å; L1149-F1155 HydrophobicContact CB-CG 4.36Å; L1149-F1155 HydrophobicContact CB-CZ 4.32Å; L1149-F1155 HydrophobicContact CD1-CE2 4.35Å; L1149-F1155 HydrophobicContact CD1-CZ 4.23Å; L1149-F1155 HydrophobicContact CD2-CB 4.15Å; L1149-F1155 HydrophobicContact CD2-CD1 4.03Å; L1149-F1155 HydrophobicContact CD2-CD2 3.42Å; L1149-F1155 VanDerWaalsContact CD2-CD2 3.42Å; L1149-F1155 HydrophobicContact CD2-CE1 4.28Å; L1149-F1155 HydrophobicContact CD2-CE2 3.67Å; L1149-F1155 HydrophobicContact CD2-CG 3.58Å; L1149-F1155 HydrophobicContact CD2-CZ 4.1Å; L1149-F1155 HydrophobicContact CG-CE2 4.45Å; L1149-F1155 HydrophobicContact CG-CZ 4.44Å; L1149-F1155 WeakPolarHBondContact O-CD1 3.44Å; S1152-F1155 PolarHBondContact O-N 3.34Å; S1152-F1155 PolarHBondContact OG-N 3.24Å; F1155-W1157 VanDerWaalsContact C-N 3.3Å; F1155-W1157 PolarHBondContact O-N 3.16Å; F1155-F1158 PolarHBondContact O-N 2.94Å; F1155-M1159 HydrophobicContact CD1-CG 4.48Å; F1155-M1159 HydrophobicContact CD2-CG 3.67Å; F1155-M1159 HydrophobicContact CE1-CB 4.48Å; F1155-M1159 HydrophobicContact CE1-CG 4.19Å; F1155-M1159 HydrophobicContact CE2-CB 4.44Å; F1155-M1159 HydrophobicContact CE2-CG 3.36Å; F1155-M1159 HydrophobicContact CE2-SD 4.17Å; F1155-M1159 HydrophobicContact CG-CG 4.26Å; F1155-M1159 HydrophobicContact CZ-CB 4.31Å; F1155-M1159 HydrophobicContact CZ-CG 3.64Å; F1155-M1159 VanDerWaalsContact O-CB 3.31Å; F1155-M1159 WeakPolarHBondContact O-CB 3.49Å; F1155-M1159 WeakPolarHBondContact O-CG 3.44Å; F1155-M1159 PolarHBondContact O-N 3.37Å
1156	R	87.5	Confident	83.8	Confident	51 Å²	51	54.4 Å²	54.4	19%	0.192	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-41.2	178.9	-73.2	-177.8	176.8	-133.2	6.3	112.6	Y1048 F1052 K1150 S1152 P1153 E1160 C1161 P1162	Y1048-R1156 WeakPolarHBondContact OH-CB 3.39Å; F1052-R1156 VanDerWaalsContact CE2-CZ 3.4Å; F1052-R1156 VanDerWaalsContact CE2-NH1 3.25Å; K1150-R1156 PolarHBondContact O-NE 3.29Å; K1150-R1156 VanDerWaalsContact O-NE 3.11Å; K1150-R1156 PolarHBondContact O-NH2 3.36Å; S1152-R1156 PolarHBondContact O-N 3.19Å; S1152-R1156 VanDerWaalsContact O-N 3.12Å; P1153-R1156 PolarHBondContact O-N 2.97Å; R1156-E1160 WeakPolarHBondContact O-CA 3.24Å; R1156-E1160 PolarHBondContact O-N 3.34Å; R1156-C1161 WeakPolarHBondContact CB-O 3.43Å; R1156-C1161 PolarHBondContact O-N 3.49Å; R1156-P1162 PolarHBondContact NH1-O 3.15Å; R1156-P1162 PolarHBondContact NH1-OXT 3.37Å
1157	W	86.2	Confident	83.8	Confident	70 Å²	70	49.8 Å²	49.8	27%	0.265	25%	0.254	S	S	.	.	H	α-helix	trans	-66.2	-43.4	178.2	-174.2	74.2	0	0	0	112.2	F1045 Y1048 K1086 P1153 T1154 F1155	F1045-W1157 HydrophobicContact CD2-CB 4.06Å; F1045-W1157 AromaticContact CD2-CD2 3.89Å; F1045-W1157 HydrophobicContact CD2-CD2 3.89Å; F1045-W1157 HydrophobicContact CD2-CE3 4.24Å; F1045-W1157 AromaticContact CD2-CG 3.78Å; F1045-W1157 HydrophobicContact CD2-CG 3.78Å; F1045-W1157 HydrophobicContact CE2-CB 3.91Å; F1045-W1157 HydrophobicContact CE2-CG 4.16Å; Y1048-W1157 HydrophobicContact CD1-CB 4.27Å; Y1048-W1157 HydrophobicContact CE1-CB 4.03Å; K1086-W1157 HydrophobicContact CG-CZ3 4.35Å; P1153-W1157 VanDerWaalsContact O-CB 3.31Å; P1153-W1157 WeakPolarHBondContact O-CB 3.32Å; P1153-W1157 PolarHBondContact O-N 3.06Å; T1154-W1157 PolarHBondContact O-N 3.39Å; F1155-W1157 VanDerWaalsContact C-N 3.3Å; F1155-W1157 PolarHBondContact O-N 3.16Å
1158	F	88.9	Confident	84	Confident	5 Å²	5	50.2 Å²	50.2	2%	0.022	25%	0.253	C	S	.	.	H	α-helix	trans	-73.7	-32.9	179.5	-78	-55.1	0	0	0	114.2	G1082 Y1085 K1086 L1089 K1108 Y1112 T1154 F1155	G1082-F1158 WeakPolarHBondContact O-CE2 3.45Å; Y1085-F1158 HydrophobicContact CD1-CE1 4.17Å; Y1085-F1158 HydrophobicContact CD1-CE2 4.06Å; Y1085-F1158 AromaticContact CD1-CZ 3.83Å; Y1085-F1158 HydrophobicContact CD1-CZ 3.83Å; Y1085-F1158 HydrophobicContact CE1-CE1 4.45Å; K1086-F1158 HydrophobicContact CB-CE2 4.4Å; K1086-F1158 HydrophobicContact CB-CZ 3.86Å; L1089-F1158 HydrophobicContact CD1-CE1 3.76Å; L1089-F1158 HydrophobicContact CD1-CZ 4.22Å; K1108-F1158 HydrophobicContact CB-CB 4.37Å; K1108-F1158 HydrophobicContact CB-CD1 4.16Å; K1108-F1158 HydrophobicContact CD-CD1 3.78Å; K1108-F1158 HydrophobicContact CD-CE1 4.38Å; K1108-F1158 HydrophobicContact CG-CD1 3.75Å; K1108-F1158 HydrophobicContact CG-CE1 4.25Å; Y1112-F1158 HydrophobicContact CD2-CB 4.42Å; Y1112-F1158 HydrophobicContact CE2-CB 3.9Å; Y1112-F1158 AromaticContact CE2-CD2 3.82Å; Y1112-F1158 HydrophobicContact CE2-CD2 3.82Å; Y1112-F1158 HydrophobicContact CE2-CG 4.25Å; T1154-F1158 WeakPolarHBondContact O-CB 3.42Å; T1154-F1158 WeakPolarHBondContact O-CD2 3.48Å; T1154-F1158 PolarHBondContact O-N 3.05Å; F1155-F1158 PolarHBondContact O-N 2.94Å
1159	M	88.5	Confident	84	Confident	54 Å²	54	53.8 Å²	53.8	27%	0.266	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	5.2	-179.6	-62.7	-66.5	-63.5	0	0	113.3	E1109 Y1112 F1155 C1161	E1109-M1159 HydrophobicContact CB-CE 4.49Å; E1109-M1159 HydrophobicContact CB-SD 4.18Å; E1109-M1159 HydrophobicContact CG-CE 4.15Å; E1109-M1159 HydrophobicContact CG-SD 3.89Å; Y1112-M1159 HydrophobicContact CD2-CG 4.37Å; Y1112-M1159 HydrophobicContact CD2-SD 4.39Å; F1155-M1159 HydrophobicContact CD1-CG 4.48Å; F1155-M1159 HydrophobicContact CD2-CG 3.67Å; F1155-M1159 HydrophobicContact CE1-CB 4.48Å; F1155-M1159 HydrophobicContact CE1-CG 4.19Å; F1155-M1159 HydrophobicContact CE2-CB 4.44Å; F1155-M1159 HydrophobicContact CE2-CG 3.36Å; F1155-M1159 HydrophobicContact CE2-SD 4.17Å; F1155-M1159 HydrophobicContact CG-CG 4.26Å; F1155-M1159 HydrophobicContact CZ-CB 4.31Å; F1155-M1159 HydrophobicContact CZ-CG 3.64Å; F1155-M1159 VanDerWaalsContact O-CB 3.31Å; F1155-M1159 WeakPolarHBondContact O-CB 3.49Å; F1155-M1159 WeakPolarHBondContact O-CG 3.44Å; F1155-M1159 PolarHBondContact O-N 3.37Å; M1159-C1161 PolarHBondContact O-N 3.38Å; M1159-C1161 PolarHBondContact O-SG 3.48Å; M1159-C1161 VanDerWaalsContact O-SG 3.39Å
1160	E	83.9	Confident	84	Confident	170 Å²	170	56.2 Å²	56.2	79%	0.794	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	38	-177.3	-59.7	-178.4	-179.5	0	0	113.1	R1156 P1162	R1156-E1160 WeakPolarHBondContact O-CA 3.24Å; R1156-E1160 PolarHBondContact O-N 3.34Å; E1160-P1162 WeakPolarHBondContact O-CD 3.25Å
1161	C	81.1	Confident	84.2	Confident	56 Å²	56	49.7 Å²	49.7	38%	0.378	26%	0.258	S	S	.	.			trans	-94.3	102.5	-179.7	-74.4	0	0	0	0	109.6	R1156 M1159	R1156-C1161 WeakPolarHBondContact CB-O 3.43Å; R1156-C1161 PolarHBondContact O-N 3.49Å; M1159-C1161 PolarHBondContact O-N 3.38Å; M1159-C1161 PolarHBondContact O-SG 3.48Å; M1159-C1161 VanDerWaalsContact O-SG 3.39Å
1162	P	63.2	Low	84.7	Confident	159 Å²	159	54 Å²	54	100%	1.032	28%	0.28	S	S	*	.			trans	-59.8	0	-177.6	23.6	-33.1	0	0	0	113.7	R1156 E1160	R1156-P1162 PolarHBondContact NH1-O 3.15Å; R1156-P1162 PolarHBondContact NH1-OXT 3.37Å; E1160-P1162 WeakPolarHBondContact O-CD 3.25Å

Retrieved 1,162 of 1,162 residues in 905.3 ms (Link to these results)

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