A0A3Q0KN59_SCHMA Loading...

adenylate cyclase AlphaSync Fragmented

AlphaFold DB , UniProt , Accession A0A3Q0KN59, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 4,236 aa.

						>A0A3Q0KN59_SCHMA|A0A3Q0KN59
MPDVQIKTNEPQYENWLVVHSKKEKYPTESPLLDVELPHGLQLSARRGPEVELYDVAGVHLLCPPDIISNNQNSKHVWYGLHWFKSFFNPKHRKTSDDSPVVLSNKSADIKSSSFNDFNSSHLPTKAPPCISSNHNRKTQIHNDLSLSTQHAICQKQSCISTLKDKLLNDWLCLNAANNYCLPPNVYEYYKNYFILKYRQAEINLFISLNLVVCIFLVVSMMTYSNYNTLPPTADSSSIIQHSYAVSSLHLTHVNLIRLTLLISSTVLLLISVLFANLPCISKSSHSIQHIMSNKSSGKASKPLYSKNNSIDTDDQTDSHNSNTQESVDLIVAQKLRRNLRWSHGLSYIACILFILANLPWSKLCQTLSKVHTTPLVVQQFNCSSSHVVYSNDTSNSFIMDQITIVHQNNLFDLENTNHLIDNLWLLIFSIILILGFFDVDSIWSKYWRYGLTIIMSILYFVLFNVNYGLTHFETVIKKSNFINNTDTGTNYIIFVNSSLCPQWIQKATLIQPILWWTDHRGILWRTNLATLCAILCAHLIGQLVAVWTSRHRYRLFLIASYTQAIIFRLHMTESKLHRLSKCLVPAPLADDLVNDFINGHLSWSSPLVIYLRNVTFLSAELVGLSNLSSNLASTFKSNTNINHELICQQFISFINDIYTCFDYLAQNESCYRVRLNANEYLCIAGYPETRVDHARSCIDLGLNMLKIIGEISELSHVQLELRVSVHTGTAYAIVLGRSRLGFDLIGDDVTYVSRLKYAAYRPCRVLTSRSTFNQLPEGFRGEAGPIFGYPNPIIIPTNESIKSNHHNKKTMETYFVQPRTESSNIVDTLNPIDLNGLQSSLSSSTADWSTLTNLDLNSTGTVITRLASVASILCRHVMNKNNSLLDGIDKNNSNTRIHNGRHNILLELPLSFLFHSTLDHHHYQYKQKRQLLHQKHHDEDEESKAIKVNILRILSNKEFDLLDYSDYKHYEPIVTATTTSNMTTTNDQYNSHPLESNSFRHHHHHHQDHDDVRPQLNSEPSSTSELLAMIAVNLAKSLDGDQCNYDVENDNDIANCSNKFVPCQKRAGKLRRNCPSIVMDPPTNTDVNGGYLNLTVGITNSMGTSFATTTATTAPLHPYSSVEANDAIMNDIYNKNSDYHELNLLHNLKPMINKSFLLNTTPSNENQPCWLTLKQSKHHQSSLSSSSSNHSFSSTPLTTVKKYNLIMDCFKRNLHKVSYTSLSLHNTNINTTISNHVTNSMMNDTNNIEDTKLNDPNIMDNNEEHKFCRGNNDNVTGLLNLFCFNCTKQRCQLESGKSVNDKFNVNDSMKNQSSLVDILYFSTIIYIPFLILFGFIHLLVMPRSLLLFVASSFATAYITLQLAILGAFKRFTRFNLLCCTSPTICALFLWLTVIVATVTTSLNMFLCSPINEVNYISEPYSYKDFVNIPYEQYQFHSFNNNLSISSLLINYNFKGNIFLQSSPQSWTSSPSSSSSLLYNMFTNSPMNTITNTSSISSHSNQNHNFNRGYGYHSFFNDHFIIIGCLSMLISTIFTSSALYRINTKKEKLTNLNHNEYMISYDMGIKYMIITPQLTRFLIGTMIFILHIIIILWTVHYNGLFYILQWNYEKHDSNHLFQGTSIQQKLFIPNFVQSLFAQFSFLLLAILLPRSLEYQCRLMHQWKMKSQSTLEKLSLTSSALARLLVSIVPRFVIAKISCPERAIEIYSKSHQNIGLVLINFIVIPSKPLVTQQQKQTSDSSYNSTASATMNNSESKSKTQVNNEEPTEIADRVRLLNRVIHLVDSLALGQQKQTGATLDVPGENTMNERESDNSNTLNKNAKDNEKLFSSLLSSSSSSTPSQTVSSKLNLIKVYAGGTMVGYATGLGTHEESDCQNHHSLKASQTTVNQWSCLIKFIERVIVICDQINQKTKSSSPSSSSCSRQIYVQAALHSGSCIFGFVSSQHPVFTLWGEPLETCRQLLSKHQLNHLGSQHFILATDKLISLIPSNLLDASSTANLHLNANQKTTVENSNLLNQYLFTWCTIDPSNGKIILSTQLQRSAPLVKMPNGRPPFIDRLLHFCTVRSNVTMNTTTAPATETATNTSISSKLPYVESTSESNKQVCSLFNTYDQPVSMISNNAVTNGLILSQASAGVSSQKQNHACDPIKFNQLPTDHHSHHNISRLPTNNNSNDNNILRTTISIVPDQIALNSGNTVPFNPIQDDLPKVLIPTTATIGVQQRLANVIEQTNHRRKSQLIAGANVVVNTPTSQFSNSISSPPPPPPPHQRTYPSNNSNNNMSTELSTHLNTPTSCIMTQSTTVTGTVNMQHINNNERKHNPAPYLLKNSQQKCGIPPSNITYKPCEINREDHKLQTLSPQLEHLSKKNQIHSTTISTTNNNNNNLNAPNPSLLKPVRPSSYWPVPDELLLSSDQIQTNHQNINNSCNNKEKSNRPISAGITKNFDGIILNILNKPLPEQSLSSSSSKNIGSDGQHQHHRPISLSSTDSFLAAERACAYATDGDEDTTTNTTYDTATTTTTTTYNTTMSMNNKNSQNTTCPISNICNSQSIYDWDHVQNAINQLSSIQNNDHNNHDKNISSNKNFYTFNGIDDEDDDDDEVDVRRHAKVNENGTSHHNPLYTDNEYESMAESQSNLSDVVNNSGIIKNANRNSRPGLFATSSQIDPRDRFVYQTPITQQQSLDTNQTKGNPNSDMDISKKLIKDSRLFSVIDPSSTNIIHNFVETNGQLINTNGIHLHSDSHPMQKNILDFPDYQRPSSPGYTHEKQQSTYPTEIGKSDHSVKQHQIISTRNVNHYHSSSPVSGSSSTGHSLASGSRKSDQHHSYCNNGMMMIVKTNVNDSKQSSNSSRSNSQGLQSQSNRLTMIETTSRCVDHIIIPNISDTRRVQINNQCLIDEPMERYDTPYIPHEHIKLNSSSCREPSECPDAEYVGTASLEPLSMAVLTSMTEDGLTSCDGEELTEDDDANDGLESMTDSNVLLQHQDIIENLQHLNNHSSNWLLSSRSGHLVNGNSNNHRVSHSVSTDDVDTNYNVESLDHHLHHQMTDSLLANPDLDARDSELGEDFDYTTPEQIESMHCHPTNNSNGENLNQNNSSSKSNRQMNMNYLIPSNNNLLTNQNFMKHNNTTYNGNLNKNNNNNISSSSNMIRINDNHMLLEAALLSTSTTPSSQFGAAVDSSSNDNYSVNHNHGKQLINNSSSNIDLDDLTSEELFAYHGQIGQKLNNTSVNTNNNEPSYLYNIHQFKTQFTQNDELNNNSHHSQRITSSERDKSTKNISRPSLPEIAPVSLPDFSSHPHPIQMALNRMPWYSSSPSGSRDDKVISTRPFVLPSTVISSIITNKNQHQLIDRMDLSSDYDNLYPNSFQSPNNKYYPDCNLQASNRINNNNKHSSTLQRTTANEITATSSNTSSTAAVVGRPALRKLAKVSRSRTNCPLITPGEESDTMSGYIGDAASSVYDTDDDDDEGDNDDDDDDGGIKNKNTKKITSINVGIPHEVETNRNNKDSSTINHMQLNTPVSMDRNCRLTTTIVTRQCQQSVNNNYANLLQIDERNCLHSVNNNEHASKSTHFSTADIDSSSYSLTVNNSHTSVATGNFHNNNNNLLSVVHTKNSTVNKIDPIYNRSNNDESITDKNHVNFSKNQSNTTSDSNSHDQLNCTIIMEQDFNQHQQSAVANLHRTVSIADSHTSGGRSEYDNVDKSGFQTENNSLLRTSYDYHDQLELTNYSLNYNVTTNEHLISASPSSSPPPPISNLSTTVIEKLNSSLSYTQSMKSLSNKINDTNNGHSRQGNNNTKSSRIPLSFTQQKSLQNHSLFDAQIAAEARQISRQLRVMGWIPVDGEQFTTDANTSENSDRLNDTNEANLLPTSGLHRTHLFLLPESSQINRACSRQPSLRTCRLRYNGTGVGGFGSGIGSETVTTVTSQLDEDDDDERAFDMNNGEYDIDLFHENGINNNGSYNINNESGQFSTRSGFHGDEYIVDGEVPWQYDVEKWTHQNFGHSQLGCLLVRPRSLSATCLNIISSAINNAGFDAPHNDNGDDEELKIQNGCWKFDNANDDEHGLGCNSMEILKAENSVQEINEHSSPRLKRLKKRTEHVRNLLPVNLHRFILPGCISSLSRSSSIGTSSHYTTISDMLFLSLSRKTSYRRHRYQHHHHHHHNHSDQQQYYHHEHDFYVSDVNDDDQSIHRNDQIKQPRMPNSVQDYKYQQKNQKYLLKYSIDNRKWASDPELQLTSTCQVIDHIYH
					

Structure and PAE viewers are unavailable as this is a multi-fragment structure.

Download 16 Fragment Structures AlphaSync Parameters PDBs 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	28.2	Very low	241 Å²	241	149.5 Å²	149.5	100%	1.187	80%	0.797	S	S	*	*				0	154.7	0	-83.5	174	166	0	0	108.3
2	P	29.5	Very low	28.3	Very low	106 Å²	106	147.4 Å²	147.4	69%	0.688	78%	0.779	S	S	*	*			trans	-91.3	160.4	-135.5	33.3	-37.5	0	0	0	116.4
3	D	24.7	Very low	28.1	Very low	148 Å²	148	154.5 Å²	154.5	79%	0.791	79%	0.792	S	S	*	*			trans	46.3	121.9	151	-50.7	-28.2	0	0	0	118.8
4	V	29.9	Very low	28.3	Very low	139 Å²	139	153.4 Å²	153.4	84%	0.842	78%	0.781	S	S	*	*				-151.7	155.6	71.1	148.9	0	0	0	0	112.4
5	Q	25.9	Very low	28.2	Very low	172 Å²	172	154 Å²	154	80%	0.804	79%	0.787	S	S	*	*			trans	-82.9	129.7	-177.4	-57	173.1	12.9	0	0	113.4
6	I	29.4	Very low	28.1	Very low	161 Å²	161	157.3 Å²	157.3	83%	0.826	79%	0.787	S	S	*	*			trans	-128.2	133.1	155.7	-60.4	-177.1	0	0	0	108.6	T8	I6-T8 PolarHBondContact O-N 3.12Å
7	K	26.5	Very low	28	Very low	148 Å²	148	157.2 Å²	157.2	64%	0.643	79%	0.789	S	S	*	*			trans	-79.6	115.9	-171.4	-66.7	-178.5	174.8	89.7	0	111.5
8	T	26.4	Very low	28	Very low	129 Å²	129	153.2 Å²	153.2	79%	0.791	77%	0.773	S	S	*	*			trans	-65.8	133.2	164.3	48.7	0	0	0	0	110.8	I6	I6-T8 PolarHBondContact O-N 3.12Å
9	N	29	Very low	28	Very low	156 Å²	156	151.4 Å²	151.4	83%	0.834	77%	0.771	S	S	*	*			trans	-130.7	50.9	172.2	-103	4.8	0	0	0	110.2	P11	N9-P11 WeakPolarHBondContact O-CD 3.48Å
10	E	27.2	Very low	28	Very low	125 Å²	125	152.4 Å²	152.4	58%	0.584	77%	0.772	S	S	*	*			trans	-74.5	120.2	158.5	-68.9	-173.3	162.5	0	0	108.5	Q12	E10-Q12 VanDerWaalsContact C-N 3.27Å; E10-Q12 HydrophobicContact CB-CG 4.18Å; E10-Q12 PolarHBondContact O-N 3.39Å; E10-Q12 PolarHBondContact OE2-NE2 3.31Å
11	P	32.9	Very low	27.8	Very low	120 Å²	120	149.6 Å²	149.6	78%	0.779	77%	0.767	S	S	*	*			trans	-77.6	83.6	164.4	32.1	-31.6	0	0	0	108.6	N9 Y13	N9-P11 WeakPolarHBondContact O-CD 3.48Å; P11-Y13 PolarHBondContact O-N 3.16Å
12	Q	29.6	Very low	27.9	Very low	124 Å²	124	148.2 Å²	148.2	58%	0.579	75%	0.754	S	S	*	*			trans	-63.2	134.4	171.9	-68.5	-179.9	-6.2	0	0	109.8	E10 E14	E10-Q12 VanDerWaalsContact C-N 3.27Å; E10-Q12 HydrophobicContact CB-CG 4.18Å; E10-Q12 PolarHBondContact O-N 3.39Å; E10-Q12 PolarHBondContact OE2-NE2 3.31Å; Q12-E14 PolarHBondContact O-N 3.47Å; Q12-E14 VanDerWaalsContact O-N 3.08Å
13	Y	25.5	Very low	27.7	Very low	240 Å²	240	152 Å²	152	94%	0.941	76%	0.759	S	S	*	*			trans	-74.7	92.4	174.8	-89.7	-108.8	0	0	0	109.4	P11	P11-Y13 PolarHBondContact O-N 3.16Å
14	E	30.7	Very low	27.9	Very low	138 Å²	138	153.5 Å²	153.5	65%	0.645	76%	0.762	S	S	*	*			trans	-125.3	145.7	169.1	-71.1	-159.3	150.9	0	0	112.5	Q12 W16	Q12-E14 PolarHBondContact O-N 3.47Å; Q12-E14 VanDerWaalsContact O-N 3.08Å; E14-W16 PolarHBondContact O-N 3.46Å
15	N	26.9	Very low	27.7	Very low	163 Å²	163	155.1 Å²	155.1	87%	0.872	76%	0.757	S	S	*	*			trans	-79.7	101.2	-170	-67.9	-52.3	0	0	0	112.5
16	W	27.2	Very low	27.8	Very low	206 Å²	206	157.2 Å²	157.2	78%	0.78	76%	0.759	S	S	*	*			trans	-117.3	45	174.7	-74.1	81.5	0	0	0	113.4	E14 V18	E14-W16 PolarHBondContact O-N 3.46Å; W16-V18 HydrophobicContact CE3-CG2 4.05Å; W16-V18 PolarHBondContact O-N 3.5Å
17	L	26.9	Very low	27.8	Very low	156 Å²	156	154.1 Å²	154.1	82%	0.817	75%	0.75	S	S	*	*			trans	-88.4	63.5	166.2	-135.5	173	0	0	0	110	V19	L17-V19 HydrophobicContact CD2-CG2 4.29Å; L17-V19 PolarHBondContact O-N 3Å
18	V	27.1	Very low	27.9	Very low	85 Å²	85	151 Å²	151	52%	0.515	74%	0.744	S	S	.	*			trans	-68.9	99.6	176.1	177.8	0	0	0	0	108.8	W16 H20	W16-V18 HydrophobicContact CE3-CG2 4.05Å; W16-V18 PolarHBondContact O-N 3.5Å; V18-H20 PolarHBondContact O-N 3.48Å
19	V	27.4	Very low	28	Very low	119 Å²	119	153.5 Å²	153.5	72%	0.721	75%	0.746	S	S	*	*			trans	-69.3	94	175	-179.5	0	0	0	0	109	L17 S21	L17-V19 HydrophobicContact CD2-CG2 4.29Å; L17-V19 PolarHBondContact O-N 3Å; V19-S21 VanDerWaalsContact C-N 3.26Å; V19-S21 PolarHBondContact O-N 3.47Å
20	H	28.1	Very low	28	Very low	171 Å²	171	151.3 Å²	151.3	79%	0.792	74%	0.743	S	S	*	*			trans	-71.3	81.4	173.5	-90.2	-61.9	0	0	0	111.1	V18 K22	V18-H20 PolarHBondContact O-N 3.48Å; H20-K22 PolarHBondContact O-N 3.43Å; H20-K22 VanDerWaalsContact O-N 3.15Å
21	S	25.2	Very low	28.3	Very low	95 Å²	95	151 Å²	151	66%	0.664	75%	0.752	S	S	*	*			trans	-62.3	111.8	171.3	62.6	0	0	0	0	110.7	V19	V19-S21 VanDerWaalsContact C-N 3.26Å; V19-S21 PolarHBondContact O-N 3.47Å
22	K	29.4	Very low	28	Very low	211 Å²	211	152.5 Å²	152.5	92%	0.917	75%	0.753	S	S	*	*			trans	-109	125.9	159.1	-90.8	-171.4	170	-175.3	0	109.6	H20	H20-K22 PolarHBondContact O-N 3.43Å; H20-K22 VanDerWaalsContact O-N 3.15Å
23	K	25.2	Very low	28.1	Very low	186 Å²	186	154.5 Å²	154.5	81%	0.809	77%	0.766	S	S	*	*			trans	-91.5	133.6	-173.7	-62.1	167.2	176.6	174.2	0	110
24	E	28.8	Very low	28.2	Very low	179 Å²	179	149.2 Å²	149.2	84%	0.836	75%	0.754	S	S	*	*			trans	-170.3	109.8	143.1	-102.6	142.4	-149.9	0	0	106.6
25	K	26.7	Very low	28.3	Very low	174 Å²	174	149 Å²	149	76%	0.757	76%	0.762	S	S	*	*				55.6	116.4	95.5	-66	-179.8	177.8	180	0	111.1
26	Y	27.8	Very low	28.5	Very low	215 Å²	215	150.2 Å²	150.2	84%	0.843	76%	0.763	S	S	*	*			cis	-139.1	170.8	41.4	-78.3	-91.9	0	0	0	114.6
27	P	28.5	Very low	28.8	Very low	96 Å²	96	147.9 Å²	147.9	62%	0.623	76%	0.764	S	S	*	*			trans	-120.6	160.2	-162.1	41.9	-31	0	0	0	117.4
28	T	28.9	Very low	29.1	Very low	84 Å²	84	146.2 Å²	146.2	52%	0.515	76%	0.763	S	S	.	*			trans	-179.8	116.5	142.6	32	0	0	0	0	105.9
29	E	30	Very low	29.1	Very low	181 Å²	181	152 Å²	152	85%	0.846	78%	0.784	S	S	*	*				60.8	127.1	75.7	-66.6	179.4	-164.3	0	0	113.5
30	S	28.9	Very low	29.3	Very low	109 Å²	109	149.8 Å²	149.8	76%	0.762	79%	0.785	S	S	*	*			cis	-168.1	-180	-9	63.3	0	0	0	0	108.4
31	P	32	Very low	29.4	Very low	120 Å²	120	149.3 Å²	149.3	78%	0.779	79%	0.787	S	S	*	*			cis	-119.3	165.2	-14.8	39.7	-26.9	0	0	0	113.4
32	L	27.6	Very low	29.7	Very low	151 Å²	151	153.9 Å²	153.9	79%	0.791	80%	0.799	S	S	*	*			trans	-104.2	154.7	164.5	-159.6	77.4	0	0	0	109
33	L	31.9	Very low	29.9	Very low	165 Å²	165	151.6 Å²	151.6	86%	0.864	80%	0.796	S	S	*	*			trans	-133.6	124.1	163.4	-169.8	73	0	0	0	108.2
34	D	27.4	Very low	30.1	Very low	129 Å²	129	148.5 Å²	148.5	69%	0.69	80%	0.797	S	S	*	*			trans	-78.9	145.9	-168.9	-56.8	-71.6	0	0	0	113.3
35	V	33.1	Very low	30.2	Very low	134 Å²	134	144.7 Å²	144.7	81%	0.812	80%	0.796	S	S	*	*			trans	-136.2	121.2	162.5	-179.5	0	0	0	0	107.3
36	E	31.1	Very low	30.5	Very low	189 Å²	189	147.7 Å²	147.7	88%	0.883	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-76.4	133.8	-174.4	-59	178.2	124.7	0	0	111.6
37	L	33.6	Very low	30.8	Very low	156 Å²	156	149.5 Å²	149.5	82%	0.817	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-93.8	132.2	164.6	-88.2	80.4	0	0	0	110
38	P	32	Very low	30.7	Very low	121 Å²	121	148.1 Å²	148.1	79%	0.786	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.1	144.8	-176.1	27.9	-34.8	0	0	0	112.9	G40	P38-G40 PolarHBondContact O-N 3.02Å
39	H	27.8	Very low	30.7	Very low	208 Å²	208	149.7 Å²	149.7	96%	0.963	82%	0.823	S	S	*	*	S	Bend	trans	-63.5	113.6	-178.3	-56.2	-70.7	0	0	0	112.4
40	G	31.7	Very low	30.6	Very low	72 Å²	72	148.8 Å²	148.8	74%	0.742	82%	0.819	S	S	*	*			trans	-155.6	-39	-179.3	0	0	0	0	0	117.2	P38	P38-G40 PolarHBondContact O-N 3.02Å
41	L	30.4	Very low	30.8	Very low	160 Å²	160	149.9 Å²	149.9	84%	0.838	82%	0.821	S	S	*	*			trans	-116	116	-178.3	-83.7	84.4	0	0	0	112.6
42	Q	31.7	Very low	30.6	Very low	192 Å²	192	153.6 Å²	153.6	90%	0.897	83%	0.828	S	S	*	*			trans	-111.7	108.1	160.8	-74.7	-174.9	-20.4	0	0	109.2
43	L	32	Very low	30.8	Very low	163 Å²	163	151.6 Å²	151.6	85%	0.853	82%	0.817	S	S	*	*			trans	-93.3	105.1	171.7	-83.6	161.6	0	0	0	109.7
44	S	30.2	Very low	30.9	Very low	121 Å²	121	148.1 Å²	148.1	85%	0.846	79%	0.793	S	S	*	*			trans	-82.1	123.3	177.6	60.1	0	0	0	0	111.8
45	A	30.8	Very low	31.1	Very low	98 Å²	98	149.7 Å²	149.7	81%	0.81	80%	0.802	S	S	*	*			trans	-94.1	135.2	-169.4	0	0	0	0	0	115.7
46	R	34	Very low	31.2	Very low	237 Å²	237	148.3 Å²	148.3	89%	0.894	79%	0.793	S	S	*	*			trans	-165.7	110.6	154.1	-99.1	168.2	-172.8	-160.5	0.8	106.3
47	R	32.4	Very low	31.3	Very low	253 Å²	253	142.7 Å²	142.7	96%	0.955	78%	0.779	S	S	*	*				57.1	133.3	83.7	-66.5	-174.6	178.4	179.3	-0.5	112.7
48	G	27.1	Very low	31.1	Very low	68 Å²	68	138.4 Å²	138.4	70%	0.701	77%	0.772	S	S	*	*			cis	-133.5	-149.2	18.4	0	0	0	0	0	116.2
49	P	29.4	Very low	31.1	Very low	116 Å²	116	138.2 Å²	138.2	75%	0.753	77%	0.769	S	S	*	*			trans	-85.2	-177.4	-154.7	36.1	-39.5	0	0	0	116.2
50	E	26.5	Very low	31.2	Very low	162 Å²	162	135.6 Å²	135.6	76%	0.757	76%	0.757	S	S	*	*			trans	76.1	73.7	177.2	-61.8	-179.3	-150	0	0	116.6
51	V	34.5	Very low	31.2	Very low	133 Å²	133	139.4 Å²	139.4	81%	0.806	76%	0.759	S	S	*	*			trans	-179.8	116.8	131.1	150.8	0	0	0	0	107.7	L53	V51-L53 HydrophobicContact CG1-CB 4.47Å; V51-L53 PolarHBondContact O-N 3.16Å
52	E	27	Very low	31	Very low	198 Å²	198	139.7 Å²	139.7	93%	0.925	76%	0.761	S	S	*	*			trans	-85.6	80.7	175.8	-67.6	-172.2	153.9	0	0	111.5
53	L	31.9	Very low	30.9	Very low	108 Å²	108	135.7 Å²	135.7	57%	0.565	75%	0.753	S	S	*	*			trans	-159.7	139.8	165.2	-139.5	60.7	0	0	0	114.2	V51	V51-L53 HydrophobicContact CG1-CB 4.47Å; V51-L53 PolarHBondContact O-N 3.16Å
54	Y	34.2	Very low	30.8	Very low	92 Å²	92	133.4 Å²	133.4	36%	0.361	75%	0.748	S	S	.	*			trans	70.5	73.6	169.5	-55.3	-65	0	0	0	119.1	V56 T573	Y54-V56 HydrophobicContact CD1-CG2 3.82Å; Y54-T573 HydrophobicContact CE1-CG2 4.21Å
55	D	31.4	Very low	30.8	Very low	162 Å²	162	133.1 Å²	133.1	87%	0.866	74%	0.743	S	S	*	*			trans	-101.7	87.8	142.6	-114.6	-31.2	0	0	0	109	A57	D55-A57 PolarHBondContact O-N 3.22Å
56	V	36.6	Very low	30.6	Very low	106 Å²	106	134.5 Å²	134.5	64%	0.642	74%	0.737	S	S	*	*			trans	-89.9	48.3	178.1	-167.2	0	0	0	0	110.4	Y54 G58 V59	Y54-V56 HydrophobicContact CD1-CG2 3.82Å; V56-G58 VanDerWaalsContact C-N 3.3Å; V56-V59 HydrophobicContact CG1-CG2 4.37Å
57	A	32.6	Very low	30.3	Very low	71 Å²	71	131.3 Å²	131.3	59%	0.587	74%	0.736	S	S	*	*			trans	-82.2	-8	173.7	0	0	0	0	0	113.1	D55 V59	D55-A57 PolarHBondContact O-N 3.22Å; A57-V59 PolarHBondContact O-N 3.4Å
58	G	30	Very low	30.1	Very low	65 Å²	65	126.3 Å²	126.3	67%	0.67	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-6.8	-169.8	0	0	0	0	0	117.3	V56	V56-G58 VanDerWaalsContact C-N 3.3Å
59	V	31.4	Very low	30.2	Very low	117 Å²	117	127.3 Å²	127.3	71%	0.709	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-21.3	-176	-174.9	0	0	0	0	112.5	V56 A57 L61	V56-V59 HydrophobicContact CG1-CG2 4.37Å; A57-V59 PolarHBondContact O-N 3.4Å; V59-L61 PolarHBondContact O-N 3.34Å
60	H	30.3	Very low	30	Very low	153 Å²	153	128.6 Å²	128.6	71%	0.708	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	3.4	-174.4	-86.9	-75.4	0	0	0	116.1
61	L	30.3	Very low	30.1	Very low	153 Å²	153	127.9 Å²	127.9	80%	0.801	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	10.6	-175.7	-79.2	170.4	0	0	0	115.6	V59	V59-L61 PolarHBondContact O-N 3.34Å
62	L	27.9	Very low	29.8	Very low	165 Å²	165	128.7 Å²	128.7	86%	0.864	72%	0.719	S	S	*	*			trans	-132.8	36.7	176.7	-74.6	177	0	0	0	114.4
63	C	28.3	Very low	29.8	Very low	108 Å²	108	125.4 Å²	125.4	73%	0.73	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-87.3	122.3	154.9	-73.3	0	0	0	0	109.3
64	P	30.5	Very low	29.6	Very low	115 Å²	115	125.5 Å²	125.5	75%	0.747	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-69.1	148.4	165.9	31.2	-33.5	0	0	0	109.6
65	P	29.7	Very low	29.3	Very low	115 Å²	115	130.1 Å²	130.1	75%	0.747	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-69.9	136.8	-173.5	27.4	-34.8	0	0	0	113.1
66	D	27	Very low	29.1	Very low	128 Å²	128	130.1 Å²	130.1	68%	0.684	73%	0.734	S	S	*	*			trans	45.7	101.6	144	-51.9	-32.2	0	0	0	119.3	I68	D66-I68 HydrophobicContact CB-CD1 4.48Å; D66-I68 HydrophobicContact CB-CG1 4.26Å
67	I	28	Very low	28.8	Very low	170 Å²	170	130.5 Å²	130.5	87%	0.872	74%	0.737	S	S	*	*			trans	-101	70.1	145.6	-52.8	-177.1	0	0	0	108.2	S69	I67-S69 PolarHBondContact O-N 3.49Å; I67-S69 VanDerWaalsContact O-N 3.13Å
68	I	28	Very low	28.4	Very low	148 Å²	148	135.8 Å²	135.8	76%	0.759	74%	0.742	S	S	*	*			trans	-70.8	102.9	164.3	-66.4	175.7	0	0	0	107.1	D66	D66-I68 HydrophobicContact CB-CD1 4.48Å; D66-I68 HydrophobicContact CB-CG1 4.26Å
69	S	28.5	Very low	28.3	Very low	89 Å²	89	141.6 Å²	141.6	62%	0.622	74%	0.744	S	S	*	*			trans	-76.1	126.9	-176.5	60.6	0	0	0	0	112.2	I67	I67-S69 PolarHBondContact O-N 3.49Å; I67-S69 VanDerWaalsContact O-N 3.13Å
70	N	26.2	Very low	28.2	Very low	143 Å²	143	139 Å²	139	77%	0.765	74%	0.742	S	S	*	*			trans	56	108.7	158.6	-60.4	-24.9	0	0	0	117.6
71	N	27	Very low	28.2	Very low	146 Å²	146	140.7 Å²	140.7	78%	0.781	76%	0.755	S	S	*	*				-160.1	154.1	98.4	-116.1	-49.1	0	0	0	116
72	Q	29.3	Very low	28	Very low	150 Å²	150	140.7 Å²	140.7	70%	0.701	75%	0.751	S	S	*	*			trans	62.2	105.5	155.5	-64.4	-177.8	19.8	0	0	121.4
73	N	26.8	Very low	28.1	Very low	130 Å²	130	143.4 Å²	143.4	70%	0.695	75%	0.75	S	S	*	*				78.1	98.4	120.5	-58.8	-18	0	0	0	121.9
74	S	27.5	Very low	28.1	Very low	109 Å²	109	147.5 Å²	147.5	76%	0.762	76%	0.756	S	S	*	*			trans	77.5	151.4	134.8	86.1	0	0	0	0	118.1
75	K	28.8	Very low	28	Very low	190 Å²	190	151.1 Å²	151.1	83%	0.826	76%	0.76	S	S	*	*			cis	-131	156.3	6.8	-70.5	176.1	-177.1	173.2	0	113.1
76	H	26.4	Very low	28.2	Very low	161 Å²	161	150.4 Å²	150.4	75%	0.745	76%	0.757	S	S	*	*			trans	-62.2	146.7	167.7	-77.9	-129.4	0	0	0	114.6
77	V	30	Very low	28.3	Very low	115 Å²	115	153.1 Å²	153.1	70%	0.697	76%	0.763	S	S	*	*			trans	-163.3	109.9	135.7	171.9	0	0	0	0	104.4
78	W	25.2	Very low	28.4	Very low	182 Å²	182	154.9 Å²	154.9	69%	0.689	77%	0.765	S	S	*	*			cis	67.9	117	39.5	-122.2	35.2	0	0	0	112.3
79	Y	27.7	Very low	28.3	Very low	186 Å²	186	154.4 Å²	154.4	73%	0.729	76%	0.764	S	S	*	*			cis	-140.3	177.6	17.8	-76.4	-97.7	0	0	0	109.8
80	G	29.7	Very low	28.4	Very low	64 Å²	64	155.7 Å²	155.7	66%	0.66	77%	0.77	S	S	*	*			cis	135.5	141.3	-5	0	0	0	0	0	113.3
81	L	30	Very low	28.6	Very low	188 Å²	188	157.1 Å²	157.1	98%	0.984	77%	0.769	S	S	*	*			trans	-146.3	133.8	159	-144.3	74.3	0	0	0	108.8
82	H	26.2	Very low	28.6	Very low	153 Å²	153	158.4 Å²	158.4	71%	0.708	77%	0.77	S	S	*	*			trans	-139.5	105.8	-150.6	176.4	-79	0	0	0	112.6
83	W	29.1	Very low	28.5	Very low	221 Å²	221	163.3 Å²	163.3	84%	0.837	78%	0.783	S	S	*	*	S	Bend	trans	-141.6	-43.5	175.7	-153.1	52.6	0	0	0	115.2	K85	W83-K85 VanDerWaalsContact C-N 3.31Å; W83-K85 PolarHBondContact O-N 2.82Å
84	F	28.2	Very low	28.4	Very low	195 Å²	195	166 Å²	166	86%	0.855	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-77.3	-0.6	-171.5	-97.8	-81.9	0	0	0	116.9	S86	F84-S86 PolarHBondContact O-N 2.94Å
85	K	29.2	Very low	28.4	Very low	191 Å²	191	167.2 Å²	167.2	83%	0.83	79%	0.791	S	S	*	*	G	3₁₀ helix	trans	-91.4	11.9	-170.4	-131.3	177.2	-174.1	-179.9	0	115.7	W83	W83-K85 VanDerWaalsContact C-N 3.31Å; W83-K85 PolarHBondContact O-N 2.82Å
86	S	32.8	Very low	28.5	Very low	100 Å²	100	162.6 Å²	162.6	70%	0.699	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-109.1	-11	-168.1	-153.1	0	0	0	0	116.2	F84	F84-S86 PolarHBondContact O-N 2.94Å
87	F	29.8	Very low	28.5	Very low	185 Å²	185	162 Å²	162	81%	0.811	79%	0.785	S	S	*	*	S	Bend	trans	-99.5	-14.2	-163.8	-106.5	-79.1	0	0	0	117.6
88	F	29.7	Very low	28.5	Very low	207 Å²	207	164.7 Å²	164.7	91%	0.908	80%	0.795	S	S	*	*	S	Bend	trans	-134.6	88.4	178.7	-73.1	-75	0	0	0	112.4
89	N	26.4	Very low	28.6	Very low	138 Å²	138	160.5 Å²	160.5	74%	0.738	79%	0.794	S	S	*	*			trans	-144.8	122.1	166.4	-179.9	-5.6	0	0	0	107.4	K91	N89-K91 PolarHBondContact OD1-N 3.42Å
90	P	29.6	Very low	28.8	Very low	115 Å²	115	157.7 Å²	157.7	75%	0.747	80%	0.799	S	S	*	*				-139.4	113.8	126.1	33.3	-18.8	0	0	0	114.5
91	K	30.2	Very low	28.8	Very low	173 Å²	173	160.4 Å²	160.4	75%	0.752	80%	0.802	S	S	*	*				54.4	111	125.3	-61.5	177.5	178.5	178.9	0	119.8	N89	N89-K91 PolarHBondContact OD1-N 3.42Å
92	H	27.6	Very low	28.6	Very low	173 Å²	173	158 Å²	158	80%	0.801	80%	0.795	S	S	*	*			trans	44.1	121.6	130.2	-63.6	-74.4	0	0	0	121.4
93	R	27	Very low	28.7	Very low	254 Å²	254	158.4 Å²	158.4	96%	0.958	80%	0.801	S	S	*	*				-147.4	160.3	105.4	-121.7	174.1	177.8	169	-1.5	111.4
94	K	24.7	Very low	28.7	Very low	185 Å²	185	152.6 Å²	152.6	80%	0.804	79%	0.794	S	S	*	*			trans	-112.3	148.6	-180	-63.8	-178.6	175	-171.2	0	110.3
95	T	29.1	Very low	28.6	Very low	135 Å²	135	150.4 Å²	150.4	83%	0.828	79%	0.792	S	S	*	*			trans	-160.2	126.5	143.2	29.7	0	0	0	0	108.6
96	S	29.4	Very low	28.5	Very low	93 Å²	93	150.3 Å²	150.3	65%	0.65	79%	0.791	S	S	*	*			trans	34.8	119.3	151.8	55.2	0	0	0	0	119.3
97	D	26.5	Very low	28.3	Very low	148 Å²	148	149.1 Å²	149.1	79%	0.791	78%	0.783	S	S	*	*				59.3	123.6	63.6	-47.7	-47.5	0	0	0	109.8
98	D	29.6	Very low	28.2	Very low	172 Å²	172	144.3 Å²	144.3	92%	0.92	78%	0.777	S	S	*	*				-117.9	168.9	58.5	-79	-50	0	0	0	118.2
99	S	28.3	Very low	28	Very low	95 Å²	95	141.2 Å²	141.2	66%	0.664	77%	0.771	S	S	*	*			trans	-118.4	163.4	-170.8	60.3	0	0	0	0	113.2
100	P	31.2	Very low	28.1	Very low	127 Å²	127	140.8 Å²	140.8	83%	0.825	77%	0.767	S	S	*	*			trans	-74.9	151.1	-171.8	31.3	-36.8	0	0	0	113.9
101	V	29.6	Very low	27.8	Very low	121 Å²	121	144 Å²	144	73%	0.733	77%	0.769	S	S	*	*			trans	-113	109.7	176.9	178.3	0	0	0	0	110.9	L103	V101-L103 HydrophobicContact CG1-CB 4.4Å; V101-L103 HydrophobicContact CG1-CD1 4.1Å; V101-L103 HydrophobicContact CG1-CG 3.9Å
102	V	26.3	Very low	27.5	Very low	138 Å²	138	140.8 Å²	140.8	84%	0.836	77%	0.769	S	S	*	*			trans	-82.6	119.7	158.4	174.2	0	0	0	0	107.6
103	L	28.6	Very low	27.5	Very low	160 Å²	160	138.1 Å²	138.1	84%	0.838	77%	0.769	S	S	*	*			trans	-135.7	138.1	162.1	-84.6	179.5	0	0	0	111.2	V101	V101-L103 HydrophobicContact CG1-CB 4.4Å; V101-L103 HydrophobicContact CG1-CD1 4.1Å; V101-L103 HydrophobicContact CG1-CG 3.9Å
104	S	29.6	Very low	27.6	Very low	99 Å²	99	130.7 Å²	130.7	69%	0.692	76%	0.756	S	S	*	*			trans	-109.6	156.5	-173	53.3	0	0	0	0	112.1
105	N	25	Very low	27.7	Very low	150 Å²	150	131 Å²	131	80%	0.802	76%	0.758	S	S	*	*			trans	24.6	108.8	151.2	-59.5	-10.9	0	0	0	119
106	K	28.2	Very low	27.6	Very low	188 Å²	188	130.8 Å²	130.8	82%	0.817	75%	0.752	S	S	*	*				174	116.9	128.3	-92.5	157.7	179.8	-174.2	0	107.8
107	S	27.5	Very low	27.6	Very low	76 Å²	76	132.9 Å²	132.9	53%	0.531	76%	0.755	S	S	.	*				73.4	121.5	65.6	79.2	0	0	0	0	114.6
108	A	27.8	Very low	27.8	Very low	83 Å²	83	134.1 Å²	134.1	69%	0.686	75%	0.754	S	S	*	*			trans	71.4	121.3	152.2	0	0	0	0	0	119.5
109	D	25.5	Very low	27.7	Very low	143 Å²	143	132.4 Å²	132.4	77%	0.765	75%	0.745	S	S	*	*				90.3	134.3	119.6	-73.9	9.1	0	0	0	124.5
110	I	29	Very low	27.7	Very low	129 Å²	129	132.7 Å²	132.7	66%	0.662	75%	0.747	S	S	*	*			trans	89.3	93.9	137.5	-73.2	166.2	0	0	0	120.1
111	K	23.5	Very low	27.5	Very low	181 Å²	181	131.4 Å²	131.4	79%	0.787	74%	0.741	S	S	*	*				69.3	127	123.6	-63.4	-177.8	-171.7	172.5	0	122.6
112	S	24.7	Very low	27.7	Very low	107 Å²	107	134.3 Å²	134.3	75%	0.748	75%	0.746	S	S	*	*				103.2	139.2	117.9	67.9	0	0	0	0	121.7
113	S	27	Very low	27.8	Very low	116 Å²	116	135.9 Å²	135.9	81%	0.811	75%	0.749	S	S	*	*			trans	62.5	143.8	174.2	72.7	0	0	0	0	115.4
114	S	28	Very low	27.7	Very low	98 Å²	98	132.9 Å²	132.9	69%	0.685	74%	0.739	S	S	*	*			cis	-155.5	170	-12.4	48.9	0	0	0	0	106.2
115	F	27.4	Very low	27.7	Very low	192 Å²	192	135.4 Å²	135.4	84%	0.842	75%	0.75	S	S	*	*			cis	-143.1	174.7	25.3	-125.6	-91.6	0	0	0	110.2
116	N	27.2	Very low	27.8	Very low	131 Å²	131	137 Å²	137	70%	0.701	75%	0.75	S	S	*	*			trans	-77.2	148.5	179.2	-55.7	-32.5	0	0	0	112.6
117	D	30	Very low	27.8	Very low	136 Å²	136	132.3 Å²	132.3	73%	0.727	75%	0.746	S	S	*	*				-167.8	121.4	100.7	-94.2	-14.2	0	0	0	114.6
118	F	29.5	Very low	27.9	Very low	174 Å²	174	134.3 Å²	134.3	76%	0.763	76%	0.758	S	S	*	*			trans	43.8	131.9	154	-67.8	-83.7	0	0	0	125
119	N	27.2	Very low	27.9	Very low	137 Å²	137	135.6 Å²	135.6	73%	0.733	76%	0.759	S	S	*	*			trans	86.7	69.1	150.2	-60.6	-6.9	0	0	0	120.5
120	S	28	Very low	27.9	Very low	100 Å²	100	134.7 Å²	134.7	70%	0.699	76%	0.763	S	S	*	*				55.2	113	119.2	63.5	0	0	0	0	121.2
121	S	28.2	Very low	27.8	Very low	100 Å²	100	135.6 Å²	135.6	70%	0.699	77%	0.767	S	S	*	*			trans	51.2	121.3	140.8	59.1	0	0	0	0	119.3
122	H	33.4	Very low	27.8	Very low	183 Å²	183	132.3 Å²	132.3	85%	0.847	77%	0.767	S	S	*	*			cis	-135.4	158.4	15.8	-96.8	-85.4	0	0	0	112.3
123	L	28.5	Very low	28	Very low	171 Å²	171	132.7 Å²	132.7	90%	0.895	77%	0.77	S	S	*	*			trans	-65.2	140.6	175.6	-94.7	76.4	0	0	0	112.1
124	P	26.8	Very low	27.9	Very low	97 Å²	97	134.2 Å²	134.2	63%	0.63	77%	0.768	S	S	*	*			trans	-101.9	133.2	-178.7	37	-32.3	0	0	0	113.7	K126	P124-K126 HydrophobicContact CB-CG 4.25Å; P124-K126 PolarHBondContact O-N 2.89Å
125	T	29.9	Very low	28	Very low	151 Å²	151	138.5 Å²	138.5	93%	0.926	78%	0.777	S	S	*	*			trans	-90.3	87.4	156.9	46.9	0	0	0	0	109.1	A127	T125-A127 PolarHBondContact O-N 3.41Å
126	K	26.7	Very low	27.9	Very low	185 Å²	185	136.4 Å²	136.4	80%	0.804	78%	0.775	S	S	*	*			trans	-76.8	111	175.8	-73.6	-177.2	177.5	178.4	0	111.2	P124	P124-K126 HydrophobicContact CB-CG 4.25Å; P124-K126 PolarHBondContact O-N 2.89Å
127	A	27.9	Very low	28	Very low	88 Å²	88	141.7 Å²	141.7	73%	0.727	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-90.9	133.2	131.8	0	0	0	0	0	107.1	T125	T125-A127 PolarHBondContact O-N 3.41Å
128	P	30.1	Very low	27.7	Very low	119 Å²	119	144.3 Å²	144.3	77%	0.773	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-82.3	134	-171.6	31	-33.9	0	0	0	112.6
129	P	26.6	Very low	27.6	Very low	110 Å²	110	141.4 Å²	141.4	71%	0.714	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-90	134	170.1	34	-31.5	0	0	0	112
130	C	26.1	Very low	27.6	Very low	124 Å²	124	142.5 Å²	142.5	84%	0.838	79%	0.787	S	S	*	*			trans	-138.6	115.2	156.4	-77.8	0	0	0	0	106.3
131	I	28	Very low	27.5	Very low	148 Å²	148	144 Å²	144	76%	0.759	79%	0.786	S	S	*	*				66.6	116.3	60.1	-57.3	174.5	0	0	0	111.2
132	S	23.5	Very low	27.6	Very low	111 Å²	111	147.2 Å²	147.2	78%	0.776	79%	0.79	S	S	*	*			trans	-70.9	140.4	176.5	50.1	0	0	0	0	112.5
133	S	28.4	Very low	27.2	Very low	116 Å²	116	145.5 Å²	145.5	81%	0.811	79%	0.787	S	S	*	*			trans	-174.3	145.1	136.6	35.8	0	0	0	0	111.7
134	N	24.9	Very low	27.3	Very low	147 Å²	147	144.9 Å²	144.9	79%	0.786	78%	0.784	S	S	*	*			trans	-66.2	138.7	168.9	-69.7	-72.3	0	0	0	110.4
135	H	30.2	Very low	27.3	Very low	188 Å²	188	147.3 Å²	147.3	87%	0.87	79%	0.791	S	S	*	*				-170.5	140.6	111.5	-100.3	-56.5	0	0	0	115.5
136	N	24.8	Very low	27.1	Very low	148 Å²	148	145.4 Å²	145.4	79%	0.791	78%	0.784	S	S	*	*			trans	-69.2	126.6	169.6	-73.6	-77	0	0	0	113
137	R	28.4	Very low	27.1	Very low	242 Å²	242	142.8 Å²	142.8	91%	0.913	78%	0.778	S	S	*	*			trans	-171.5	105.7	141.5	-99.7	152.3	-172.3	-171.3	2.6	107.6
138	K	23.9	Very low	27.1	Very low	192 Å²	192	144.5 Å²	144.5	84%	0.835	79%	0.785	S	S	*	*				54.4	135.3	76.6	-88.6	-172.8	172.8	178.3	0	115.4
139	T	28	Very low	27	Very low	112 Å²	112	143.6 Å²	143.6	69%	0.687	78%	0.777	S	S	*	*			trans	72.8	115.8	154.1	42.3	0	0	0	0	120.8
140	Q	27.5	Very low	27	Very low	160 Å²	160	147.6 Å²	147.6	75%	0.748	79%	0.787	S	S	*	*				98.8	119	123.2	-79.2	176.5	-50.1	0	0	121.7
141	I	26.4	Very low	27.1	Very low	133 Å²	133	149.7 Å²	149.7	68%	0.682	78%	0.784	S	S	*	*			trans	65.9	106.1	136.4	-48.8	160	0	0	0	117.8
142	H	29.4	Very low	27	Very low	166 Å²	166	147.2 Å²	147.2	77%	0.769	79%	0.785	S	S	*	*				-161.1	157	104.2	-119.9	-85.8	0	0	0	112.4
143	N	26.3	Very low	27.2	Very low	147 Å²	147	149.4 Å²	149.4	79%	0.786	79%	0.787	S	S	*	*			trans	-110	134.1	171.6	-67.9	-35	0	0	0	109.6
144	D	28.6	Very low	27	Very low	158 Å²	158	148.4 Å²	148.4	85%	0.845	78%	0.779	S	S	*	*			trans	-155.7	108.4	155.3	-78.7	-53.6	0	0	0	105.2
145	L	27.2	Very low	27.1	Very low	148 Å²	148	149.5 Å²	149.5	78%	0.775	78%	0.779	S	S	*	*			cis	90.9	71.8	36.9	-160.1	80.4	0	0	0	115.1	L147	L145-L147 HydrophobicContact CD1-CD1 4.05Å; L145-L147 HydrophobicContact CG-CD1 4.27Å
146	S	26.4	Very low	26.8	Very low	111 Å²	111	149.6 Å²	149.6	78%	0.776	78%	0.777	S	S	*	*			trans	-136.6	93	149.3	58	0	0	0	0	107.8
147	L	27.3	Very low	26.8	Very low	130 Å²	130	151.4 Å²	151.4	68%	0.681	78%	0.781	S	S	*	*				38.3	123.5	96.4	-96.4	72.6	0	0	0	112.7	L145	L145-L147 HydrophobicContact CD1-CD1 4.05Å; L145-L147 HydrophobicContact CG-CD1 4.27Å
148	S	27.2	Very low	26.8	Very low	124 Å²	124	145.4 Å²	145.4	87%	0.867	78%	0.775	S	S	*	*			cis	-121.1	147.5	44.7	56.4	0	0	0	0	115.9
149	T	27.7	Very low	26.7	Very low	100 Å²	100	142 Å²	142	61%	0.613	78%	0.775	S	S	*	*			trans	-115.1	139	-179.4	48.6	0	0	0	0	112
150	Q	27.3	Very low	26.6	Very low	195 Å²	195	144.4 Å²	144.4	91%	0.911	78%	0.782	S	S	*	*			trans	-161.4	83.9	145	-111.4	169.2	38.8	0	0	108.9
151	H	28.5	Very low	26.8	Very low	168 Å²	168	141.3 Å²	141.3	78%	0.778	78%	0.777	S	S	*	*				58.7	120.8	91.7	-94.3	-88.7	0	0	0	115.8
152	A	26.1	Very low	27.1	Very low	95 Å²	95	140 Å²	140	79%	0.785	78%	0.776	S	S	*	*			trans	-74	148.2	172.2	0	0	0	0	0	112.3
153	I	27.2	Very low	27.2	Very low	158 Å²	158	137.9 Å²	137.9	81%	0.81	77%	0.77	S	S	*	*			trans	-146	127.5	162.2	-101.4	154.5	0	0	0	110.4
154	C	24.3	Very low	27.4	Very low	95 Å²	95	138.8 Å²	138.8	64%	0.642	77%	0.767	S	S	*	*			trans	50.5	124.7	148.6	-65	0	0	0	0	124.7
155	Q	26	Very low	27.5	Very low	170 Å²	170	136 Å²	136	79%	0.794	75%	0.751	S	S	*	*				85.2	116.2	121.3	-68.7	169.5	5.2	0	0	121.9
156	K	23.8	Very low	27.8	Very low	190 Å²	190	135.4 Å²	135.4	83%	0.826	74%	0.743	S	S	*	*			trans	32.8	103.3	133.1	-63.6	179.7	175.5	179.6	0	118.4
157	Q	25.7	Very low	28	Very low	186 Å²	186	134.8 Å²	134.8	87%	0.869	73%	0.73	S	S	*	*				-169.5	157.1	118.7	-103.2	151.3	-0.8	0	0	112.9
158	S	27.1	Very low	28.2	Very low	115 Å²	115	133.3 Å²	133.3	80%	0.804	72%	0.722	S	S	*	*			trans	41.3	89.8	167.6	55.3	0	0	0	0	119
159	C	22.9	Very low	28.5	Very low	121 Å²	121	131.6 Å²	131.6	82%	0.818	70%	0.703	S	S	*	*			trans	-69.1	139.8	150.8	-60.2	0	0	0	0	110.1
160	I	26	Very low	28.7	Very low	163 Å²	163	131.2 Å²	131.2	84%	0.836	70%	0.698	S	S	*	*	S	Bend	trans	-179	-35	144.1	-100.4	155.7	0	0	0	111.9
161	S	30.7	Very low	28.9	Very low	94 Å²	94	131.3 Å²	131.3	66%	0.657	69%	0.69	S	S	*	*	S	Bend	trans	-81.1	-29.6	-169.8	48.4	0	0	0	0	116	L163	S161-L163 PolarHBondContact O-N 3.06Å
162	T	33.4	Very low	29	Very low	105 Å²	105	128.4 Å²	128.4	64%	0.644	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-1.1	-164.9	49.9	0	0	0	0	116.2
163	L	30.5	Very low	29.2	Very low	123 Å²	123	128.5 Å²	128.5	64%	0.644	67%	0.673	S	S	*	*	H	α-helix	trans	-81.1	-26.7	-172.6	-136.8	165.4	0	0	0	112.9	S161 L167	S161-L163 PolarHBondContact O-N 3.06Å; L163-L167 HydrophobicContact CD2-CD1 3.57Å; L163-L167 HydrophobicContact CD2-CG 4.05Å; L163-L167 WeakPolarHBondContact O-CB 3.46Å; L163-L167 WeakPolarHBondContact O-CG 3.45Å; L163-L167 PolarHBondContact O-N 3.43Å
164	K	30.8	Very low	29.3	Very low	166 Å²	166	127.3 Å²	127.3	72%	0.722	67%	0.668	S	S	*	*	H	α-helix	trans	-73.4	-51.5	-176.8	-170	-175.1	176.6	-164.3	0	112	K166 L167 L168	K164-K166 VanDerWaalsContact C-N 3.33Å; K164-K166 PolarHBondContact O-N 2.96Å; K164-L167 PolarHBondContact O-N 3.48Å; K164-L168 PolarHBondContact O-N 3.36Å; K164-L168 VanDerWaalsContact O-N 3.15Å
165	D	31.2	Very low	29.6	Very low	98 Å²	98	129.6 Å²	129.6	52%	0.524	67%	0.674	S	S	.	*	H	α-helix	trans	-74.1	-30.4	-173.4	-49.6	-30.1	0	0	0	111.1	L168 N169	D165-L168 PolarHBondContact O-N 3.45Å; D165-N169 WeakPolarHBondContact O-CB 3.49Å; D165-N169 VanDerWaalsContact O-CG 3.27Å; D165-N169 PolarHBondContact O-N 3.24Å; D165-N169 PolarHBondContact O-OD1 3.1Å
166	K	33.1	Very low	29.9	Very low	136 Å²	136	125.8 Å²	125.8	59%	0.591	67%	0.671	S	S	*	*	H	α-helix	trans	-69.7	-37.4	173.7	-151	174.8	-173.8	179.9	0	112.8	K164 L168 N169 D170	K164-K166 VanDerWaalsContact C-N 3.33Å; K164-K166 PolarHBondContact O-N 2.96Å; K166-L168 VanDerWaalsContact C-N 3.26Å; K166-L168 PolarHBondContact O-N 3.12Å; K166-N169 PolarHBondContact O-N 3.42Å; K166-D170 VanDerWaalsContact O-CB 3.24Å; K166-D170 WeakPolarHBondContact O-CB 3.48Å; K166-D170 PolarHBondContact O-N 3.21Å
167	L	31.6	Very low	30	Very low	98 Å²	98	120.2 Å²	120.2	51%	0.513	66%	0.661	S	S	.	*	H	α-helix	trans	-66.9	-25.5	171	-82.4	171.9	0	0	0	113.4	L163 K164 W171	L163-L167 HydrophobicContact CD2-CD1 3.57Å; L163-L167 HydrophobicContact CD2-CG 4.05Å; L163-L167 WeakPolarHBondContact O-CB 3.46Å; L163-L167 WeakPolarHBondContact O-CG 3.45Å; L163-L167 PolarHBondContact O-N 3.43Å; K164-L167 PolarHBondContact O-N 3.48Å; L167-W171 WeakPolarHBondContact O-CB 3.25Å
168	L	30.9	Very low	30.1	Very low	99 Å²	99	118.6 Å²	118.6	52%	0.518	66%	0.658	S	S	.	*	H	α-helix	trans	-76.5	-46.7	174.1	-145.7	78.8	0	0	0	110.9	K164 D165 K166 W171 L172	K164-L168 PolarHBondContact O-N 3.36Å; K164-L168 VanDerWaalsContact O-N 3.15Å; D165-L168 PolarHBondContact O-N 3.45Å; K166-L168 VanDerWaalsContact C-N 3.26Å; K166-L168 PolarHBondContact O-N 3.12Å; L168-W171 PolarHBondContact O-N 3.46Å; L168-L172 PolarHBondContact O-N 3.5Å
169	N	32.8	Very low	30.1	Very low	88 Å²	88	120.7 Å²	120.7	47%	0.471	66%	0.661	S	S	.	*	H	α-helix	trans	-74.4	-40.3	-175.4	-65.8	-0.4	0	0	0	112.3	D165 K166 W171 L172 C173	D165-N169 WeakPolarHBondContact O-CB 3.49Å; D165-N169 VanDerWaalsContact O-CG 3.27Å; D165-N169 PolarHBondContact O-N 3.24Å; D165-N169 PolarHBondContact O-OD1 3.1Å; K166-N169 PolarHBondContact O-N 3.42Å; N169-W171 PolarHBondContact O-N 2.99Å; N169-L172 PolarHBondContact O-N 2.94Å; N169-C173 WeakPolarHBondContact O-CB 3.33Å; N169-C173 PolarHBondContact O-N 3.37Å; N169-C173 PolarHBondContact O-SG 3.08Å; N169-C173 VanDerWaalsContact O-SG 3.37Å
170	D	33.4	Very low	30.5	Very low	93 Å²	93	123.9 Å²	123.9	50%	0.497	66%	0.657	S	S	.	*	H	α-helix	trans	-63.8	-23.3	173.9	-66.5	-12.9	0	0	0	111.5	K166	K166-D170 VanDerWaalsContact O-CB 3.24Å; K166-D170 WeakPolarHBondContact O-CB 3.48Å; K166-D170 PolarHBondContact O-N 3.21Å
171	W	31.1	Very low	30.6	Very low	196 Å²	196	121.7 Å²	121.7	74%	0.742	65%	0.654	S	S	*	*	H	α-helix	trans	-86.5	-30.3	175.7	-165.3	50.5	0	0	0	113.1	L167 L168 N169	L167-W171 WeakPolarHBondContact O-CB 3.25Å; L168-W171 PolarHBondContact O-N 3.46Å; N169-W171 PolarHBondContact O-N 2.99Å
172	L	30.2	Very low	30.8	Very low	107 Å²	107	123 Å²	123	56%	0.56	65%	0.653	S	S	*	*	H	α-helix	trans	-77.4	-40.8	174.1	-84.8	159.3	0	0	0	112.8	L168 N169 L174 N175	L168-L172 PolarHBondContact O-N 3.5Å; N169-L172 PolarHBondContact O-N 2.94Å; L172-L174 PolarHBondContact O-N 2.95Å; L172-N175 PolarHBondContact O-N 2.95Å
173	C	29.8	Very low	30.8	Very low	97 Å²	97	120.7 Å²	120.7	66%	0.655	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-69.3	-16.8	-178.5	-69.4	0	0	0	0	114.2	N169 N175	N169-C173 WeakPolarHBondContact O-CB 3.33Å; N169-C173 PolarHBondContact O-N 3.37Å; N169-C173 PolarHBondContact O-SG 3.08Å; N169-C173 VanDerWaalsContact O-SG 3.37Å; C173-N175 VanDerWaalsContact C-N 3.34Å
174	L	29.8	Very low	31.3	Very low	134 Å²	134	119.9 Å²	119.9	70%	0.702	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-78.2	-14.8	176.7	-105.8	162.7	0	0	0	113.8	L172 A176	L172-L174 PolarHBondContact O-N 2.95Å; L174-A176 VanDerWaalsContact C-N 3.31Å
175	N	31.9	Very low	32	Very low	142 Å²	142	117.1 Å²	117.1	76%	0.759	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-88.6	7.7	177	-70.2	-10	0	0	0	113.5	L172 C173	L172-N175 PolarHBondContact O-N 2.95Å; C173-N175 VanDerWaalsContact C-N 3.34Å
176	A	30.4	Very low	32.7	Very low	90 Å²	90	113.6 Å²	113.6	74%	0.744	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-116.7	14.3	-172.2	0	0	0	0	0	114.1	L174	L174-A176 VanDerWaalsContact C-N 3.31Å
177	A	27.7	Very low	33.1	Very low	74 Å²	74	114.1 Å²	114.1	61%	0.612	62%	0.617	S	S	*	*	S	Bend	trans	-137.5	109.2	-175.5	0	0	0	0	0	113.4
178	N	27.9	Very low	34.2	Very low	152 Å²	152	113.7 Å²	113.7	81%	0.813	61%	0.612	S	S	*	*			trans	65.8	117.1	160.7	-63	4.8	0	0	0	119.8	Y180	N178-Y180 PolarHBondContact O-N 2.85Å; N178-Y180 VanDerWaalsContact O-N 3.14Å
179	N	25.8	Very low	35.1	Very low	159 Å²	159	110.6 Å²	110.6	85%	0.85	59%	0.594	S	S	*	*			trans	-66.9	93.9	174.5	-63.8	-34.7	0	0	0	113.5
180	Y	31.1	Very low	36.1	Very low	188 Å²	188	113 Å²	113	74%	0.737	60%	0.597	S	S	*	*			trans	-141.8	143.2	161	-76.8	-70.3	0	0	0	113.2	N178 L182	N178-Y180 PolarHBondContact O-N 2.85Å; N178-Y180 VanDerWaalsContact O-N 3.14Å; Y180-L182 PolarHBondContact O-N 3.27Å
181	C	28.6	Very low	37.1	Very low	116 Å²	116	113.6 Å²	113.6	78%	0.784	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-62.2	124.5	-179.4	-65.8	0	0	0	0	112.1	P183	C181-P183 WeakPolarHBondContact O-CD 3.32Å
182	L	34.8	Very low	38.4	Very low	122 Å²	122	106 Å²	106	64%	0.639	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-75.7	120.7	167.3	-89.6	65.1	0	0	0	110.1	Y180 V186 Y190	Y180-L182 PolarHBondContact O-N 3.27Å; L182-V186 HydrophobicContact CB-CB 4.42Å; L182-V186 HydrophobicContact CB-CG2 4.33Å; L182-V186 HydrophobicContact CD2-CB 4.22Å; L182-V186 HydrophobicContact CD2-CG1 3.82Å; L182-V186 HydrophobicContact CG-CB 4.37Å; L182-V186 HydrophobicContact CG-CG1 4.32Å; L182-V186 HydrophobicContact CG-CG2 4.28Å; L182-Y190 HydrophobicContact CD2-CE2 4.34Å
183	P	33	Very low	39.9	Very low	57 Å²	57	104.6 Å²	104.6	37%	0.37	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-70.5	163.5	176.5	28.7	-34.3	0	0	0	112.2	C181 N185 V186 E326	C181-P183 WeakPolarHBondContact O-CD 3.32Å; P183-N185 PolarHBondContact O-N 3.3Å; P183-V186 HydrophobicContact CG-CG2 3.99Å; P183-V186 PolarHBondContact O-N 3.3Å; P183-V186 VanDerWaalsContact O-N 3.07Å; P183-E326 VanDerWaalsContact CG-OE1 3.26Å; P183-E326 WeakPolarHBondContact CG-OE1 3.48Å
184	P	42	Very low	41.3	Very low	106 Å²	106	107.3 Å²	107.3	69%	0.688	56%	0.558	S	S	*	*	H	α-helix	trans	-57	-25.6	-176.1	21.1	-33.7	0	0	0	114.5	V186 Y187	P184-V186 VanDerWaalsContact C-N 3.25Å; P184-V186 PolarHBondContact O-N 3.35Å; P184-Y187 WeakPolarHBondContact O-CB 3.45Å; P184-Y187 PolarHBondContact O-N 3.29Å
185	N	44.9	Very low	43.2	Very low	108 Å²	108	105.1 Å²	105.1	58%	0.578	55%	0.546	S	S	*	.	H	α-helix	trans	-60.5	-32.5	177.7	-64.7	-10.8	0	0	0	112.9	P183 Y187 E188 Y189	P183-N185 PolarHBondContact O-N 3.3Å; N185-Y187 VanDerWaalsContact C-N 3.27Å; N185-Y187 PolarHBondContact O-N 2.94Å; N185-E188 WeakPolarHBondContact O-CB 3.43Å; N185-E188 PolarHBondContact O-N 3.43Å; N185-E188 VanDerWaalsContact O-N 3.12Å; N185-Y189 PolarHBondContact O-N 3.28Å; N185-Y189 VanDerWaalsContact O-N 3.11Å
186	V	45.6	Very low	44.8	Very low	23 Å²	23	99 Å²	99	14%	0.139	51%	0.513	C	S	.	.	H	α-helix	trans	-70.2	-25.4	-179	-162.1	0	0	0	0	111.7	L182 P183 P184 Y189 Y190	L182-V186 HydrophobicContact CB-CB 4.42Å; L182-V186 HydrophobicContact CB-CG2 4.33Å; L182-V186 HydrophobicContact CD2-CB 4.22Å; L182-V186 HydrophobicContact CD2-CG1 3.82Å; L182-V186 HydrophobicContact CG-CB 4.37Å; L182-V186 HydrophobicContact CG-CG1 4.32Å; L182-V186 HydrophobicContact CG-CG2 4.28Å; P183-V186 HydrophobicContact CG-CG2 3.99Å; P183-V186 PolarHBondContact O-N 3.3Å; P183-V186 VanDerWaalsContact O-N 3.07Å; P184-V186 VanDerWaalsContact C-N 3.25Å; P184-V186 PolarHBondContact O-N 3.35Å; V186-Y189 WeakPolarHBondContact O-CB 3.18Å; V186-Y189 PolarHBondContact O-N 2.81Å; V186-Y190 HydrophobicContact CG1-CD2 3.89Å; V186-Y190 HydrophobicContact CG1-CE2 3.64Å; V186-Y190 VanDerWaalsContact O-CD2 3.31Å; V186-Y190 WeakPolarHBondContact O-CD2 3.38Å; V186-Y190 PolarHBondContact O-N 3.12Å
187	Y	43	Very low	46.6	Very low	147 Å²	147	99.2 Å²	99.2	58%	0.576	50%	0.497	S	S	*	.	H	α-helix	trans	-65	-39.3	171	179.2	-106.1	0	0	0	111.8	P184 N185 K191 Q564	P184-Y187 WeakPolarHBondContact O-CB 3.45Å; P184-Y187 PolarHBondContact O-N 3.29Å; N185-Y187 VanDerWaalsContact C-N 3.27Å; N185-Y187 PolarHBondContact O-N 2.94Å; Y187-K191 WeakPolarHBondContact O-CB 3.43Å; Y187-K191 PolarHBondContact O-N 3.09Å; Y187-K191 VanDerWaalsContact O-N 3.08Å; Y187-Q564 HydrophobicContact CE2-CG 4.4Å
188	E	53.6	Low	48.5	Very low	89 Å²	89	101.4 Å²	101.4	42%	0.416	49%	0.491	S	S	.	.	H	α-helix	trans	-66.8	-37.1	173.3	-119	-89.2	124	0	0	111.2	N185 K191 N192	N185-E188 WeakPolarHBondContact O-CB 3.43Å; N185-E188 PolarHBondContact O-N 3.43Å; N185-E188 VanDerWaalsContact O-N 3.12Å; E188-K191 IonicContact OE1-NZ 3.23Å; E188-K191 PolarHBondContact OE1-NZ 2.8Å; E188-N192 VanDerWaalsContact CD-ND2 3.28Å; E188-N192 WeakPolarHBondContact O-CB 3.46Å; E188-N192 PolarHBondContact O-N 3.42Å; E188-N192 PolarHBondContact O-ND2 3.49Å; E188-N192 PolarHBondContact OE1-ND2 3.28Å; E188-N192 VanDerWaalsContact OE1-ND2 3.17Å; E188-N192 PolarHBondContact OE2-ND2 2.91Å; E188-N192 VanDerWaalsContact OE2-ND2 3.09Å
189	Y	50.3	Low	50.4	Low	34 Å²	34	99.7 Å²	99.7	13%	0.133	47%	0.473	C	S	.	.	H	α-helix	trans	-59.8	-55.3	173.2	179	-114.3	0	0	0	112.3	N185 V186 K191 N192 Y193 D329 A333	N185-Y189 PolarHBondContact O-N 3.28Å; N185-Y189 VanDerWaalsContact O-N 3.11Å; V186-Y189 WeakPolarHBondContact O-CB 3.18Å; V186-Y189 PolarHBondContact O-N 2.81Å; Y189-K191 PolarHBondContact O-N 3.46Å; Y189-N192 PolarHBondContact O-N 3.22Å; Y189-N192 VanDerWaalsContact O-N 3.15Å; Y189-Y193 WeakPolarHBondContact O-CB 3.31Å; Y189-Y193 PolarHBondContact O-N 3.27Å; Y189-D329 HydrophobicContact CD2-CB 4.37Å; Y189-D329 HydrophobicContact CE1-CB 3.93Å; Y189-D329 HydrophobicContact CE2-CB 3.78Å; Y189-D329 WeakPolarHBondContact CE2-O 3.45Å; Y189-D329 VanDerWaalsContact CZ-OD1 3.24Å; Y189-D329 PolarHBondContact OH-OD1 2.81Å; Y189-A333 HydrophobicContact CD2-CB 4.42Å; Y189-A333 HydrophobicContact CE2-CB 3.86Å
190	Y	53.9	Low	52.7	Low	138 Å²	138	94 Å²	94	54%	0.541	44%	0.441	S	S	.	.	H	α-helix	trans	-62	-40.9	-178.9	-79.7	-63.9	0	0	0	112.9	L182 V186 Y193 F194	L182-Y190 HydrophobicContact CD2-CE2 4.34Å; V186-Y190 HydrophobicContact CG1-CD2 3.89Å; V186-Y190 HydrophobicContact CG1-CE2 3.64Å; V186-Y190 VanDerWaalsContact O-CD2 3.31Å; V186-Y190 WeakPolarHBondContact O-CD2 3.38Å; V186-Y190 PolarHBondContact O-N 3.12Å; Y190-Y193 PolarHBondContact O-N 3.3Å; Y190-F194 WeakPolarHBondContact O-CB 3.35Å; Y190-F194 PolarHBondContact O-N 3.06Å
191	K	53.9	Low	54.5	Low	106 Å²	106	88 Å²	88	46%	0.461	43%	0.431	S	S	.	.	H	α-helix	trans	-55.9	-49.2	171.9	173.2	-169.1	167	-149.1	0	111.6	Y187 E188 Y189 I195	Y187-K191 WeakPolarHBondContact O-CB 3.43Å; Y187-K191 PolarHBondContact O-N 3.09Å; Y187-K191 VanDerWaalsContact O-N 3.08Å; E188-K191 IonicContact OE1-NZ 3.23Å; E188-K191 PolarHBondContact OE1-NZ 2.8Å; Y189-K191 PolarHBondContact O-N 3.46Å; K191-I195 HydrophobicContact CG-CD1 4.48Å; K191-I195 WeakPolarHBondContact O-CD1 3.33Å; K191-I195 VanDerWaalsContact O-CG1 3.28Å; K191-I195 WeakPolarHBondContact O-CG1 3.35Å; K191-I195 PolarHBondContact O-N 2.88Å
192	N	58.2	Low	56.5	Low	37 Å²	37	87.1 Å²	87.1	20%	0.198	42%	0.415	C	S	.	.	H	α-helix	trans	-67.2	-40.5	177.8	-84	-78.1	0	0	0	112.5	E188 Y189 I195 L196 R337	E188-N192 VanDerWaalsContact CD-ND2 3.28Å; E188-N192 WeakPolarHBondContact O-CB 3.46Å; E188-N192 PolarHBondContact O-N 3.42Å; E188-N192 PolarHBondContact O-ND2 3.49Å; E188-N192 PolarHBondContact OE1-ND2 3.28Å; E188-N192 VanDerWaalsContact OE1-ND2 3.17Å; E188-N192 PolarHBondContact OE2-ND2 2.91Å; E188-N192 VanDerWaalsContact OE2-ND2 3.09Å; Y189-N192 PolarHBondContact O-N 3.22Å; Y189-N192 VanDerWaalsContact O-N 3.15Å; N192-I195 PolarHBondContact O-N 3.28Å; N192-L196 WeakPolarHBondContact O-CG 3.17Å; N192-L196 PolarHBondContact O-N 3.46Å; N192-R337 PolarHBondContact OD1-NH2 3.34Å
193	Y	62.4	Low	58.2	Low	77 Å²	77	82 Å²	82	30%	0.302	39%	0.388	S	S	.	.	H	α-helix	trans	-66.2	-43.8	-179	-175.9	-93.2	0	0	0	112.4	Y189 Y190 I195 L196 K197	Y189-Y193 WeakPolarHBondContact O-CB 3.31Å; Y189-Y193 PolarHBondContact O-N 3.27Å; Y190-Y193 PolarHBondContact O-N 3.3Å; Y193-I195 VanDerWaalsContact C-N 3.35Å; Y193-I195 PolarHBondContact O-N 3.21Å; Y193-L196 PolarHBondContact O-N 2.84Å; Y193-K197 HydrophobicContact CE1-CD 4.03Å; Y193-K197 HydrophobicContact CE1-CG 4.32Å; Y193-K197 PolarHBondContact O-N 3.47Å; Y193-K197 WeakPolarHBondContact OH-CE 3.45Å
194	F	59.2	Low	60.2	Low	154 Å²	154	81.1 Å²	81.1	68%	0.675	38%	0.38	S	S	*	.	H	α-helix	trans	-61.8	-42.6	177.2	-168.5	-88.9	0	0	0	111.7	Y190 L196 K197 Y198	Y190-F194 WeakPolarHBondContact O-CB 3.35Å; Y190-F194 PolarHBondContact O-N 3.06Å; F194-L196 VanDerWaalsContact C-N 3.34Å; F194-L196 PolarHBondContact O-N 3.34Å; F194-K197 PolarHBondContact O-N 2.78Å; F194-Y198 PolarHBondContact O-N 2.9Å
195	I	68.1	Low	61.7	Low	88 Å²	88	80.8 Å²	80.8	45%	0.451	37%	0.372	S	S	.	.	H	α-helix	trans	-62.8	-39.6	174.9	-66.8	168.2	0	0	0	111.3	K191 N192 Y193 R199	K191-I195 HydrophobicContact CG-CD1 4.48Å; K191-I195 WeakPolarHBondContact O-CD1 3.33Å; K191-I195 VanDerWaalsContact O-CG1 3.28Å; K191-I195 WeakPolarHBondContact O-CG1 3.35Å; K191-I195 PolarHBondContact O-N 2.88Å; N192-I195 PolarHBondContact O-N 3.28Å; Y193-I195 VanDerWaalsContact C-N 3.35Å; Y193-I195 PolarHBondContact O-N 3.21Å; I195-R199 PolarHBondContact O-N 3.05Å
196	L	66.8	Low	63	Low	13 Å²	13	78 Å²	78	7%	0.068	36%	0.355	C	S	.	.	H	α-helix	trans	-65.7	-44.7	176.3	-75.5	166.7	0	0	0	112.2	N192 Y193 F194 R199 Q200 A333 L336 R337 L340	N192-L196 WeakPolarHBondContact O-CG 3.17Å; N192-L196 PolarHBondContact O-N 3.46Å; Y193-L196 PolarHBondContact O-N 2.84Å; F194-L196 VanDerWaalsContact C-N 3.34Å; F194-L196 PolarHBondContact O-N 3.34Å; L196-R199 PolarHBondContact O-N 3.24Å; L196-Q200 PolarHBondContact O-N 2.98Å; L196-A333 HydrophobicContact CD1-CB 4.35Å; L196-L336 HydrophobicContact CB-CD2 3.86Å; L196-L336 HydrophobicContact CD1-CD2 4.3Å; L196-R337 HydrophobicContact CD1-CB 4.47Å; L196-R337 HydrophobicContact CD2-CB 3.97Å; L196-R337 HydrophobicContact CD2-CG 4.33Å; L196-L340 HydrophobicContact CD2-CD2 4.39Å
197	K	68.4	Low	64.5	Low	95 Å²	95	77 Å²	77	41%	0.413	35%	0.349	S	S	.	.	H	α-helix	trans	-64.6	-38.2	175.5	-104	-162.5	176.1	-174.7	0	112.8	Y193 F194 Q200 A201	Y193-K197 HydrophobicContact CE1-CD 4.03Å; Y193-K197 HydrophobicContact CE1-CG 4.32Å; Y193-K197 PolarHBondContact O-N 3.47Å; Y193-K197 WeakPolarHBondContact OH-CE 3.45Å; F194-K197 PolarHBondContact O-N 2.78Å; K197-Q200 WeakPolarHBondContact O-CB 3.31Å; K197-Q200 PolarHBondContact O-N 3.43Å; K197-A201 PolarHBondContact O-N 3.04Å; K197-A201 VanDerWaalsContact O-N 3.16Å
198	Y	66.6	Low	65.9	Low	120 Å²	120	73.1 Å²	73.1	47%	0.471	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-48.8	174.2	-177.5	-82.2	0	0	0	111.2	F194 Q200 A201 E202 R553	F194-Y198 PolarHBondContact O-N 2.9Å; Y198-Q200 VanDerWaalsContact C-N 3.27Å; Y198-Q200 PolarHBondContact O-N 3.16Å; Y198-A201 PolarHBondContact O-N 3.48Å; Y198-E202 WeakPolarHBondContact CE1-OE2 3.35Å; Y198-E202 PolarHBondContact O-N 3.47Å; Y198-E202 VanDerWaalsContact O-N 3.1Å; Y198-R553 PolarHBondContact OH-NH2 3.39Å
199	R	67.7	Low	66.8	Low	116 Å²	116	72 Å²	72	44%	0.438	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-33.3	175.7	-74.7	-171.2	179.2	-133.6	3	112.7	I195 L196 E202 I203 L340	I195-R199 PolarHBondContact O-N 3.05Å; L196-R199 PolarHBondContact O-N 3.24Å; R199-E202 PolarHBondContact O-N 3.44Å; R199-I203 WeakPolarHBondContact O-CB 3.39Å; R199-I203 WeakPolarHBondContact O-CD1 3.46Å; R199-I203 VanDerWaalsContact O-CG1 3.23Å; R199-I203 WeakPolarHBondContact O-CG1 3.25Å; R199-I203 PolarHBondContact O-N 3.48Å; R199-L340 HydrophobicContact CB-CD2 3.82Å
200	Q	74.3	Confident	67.8	Low	40 Å²	40	72 Å²	72	19%	0.187	34%	0.342	C	S	.	.	H	α-helix	trans	-62.3	-43.6	175.5	-170.5	-172.9	13.1	0	0	111.6	L196 K197 Y198 N204 A276 L340	L196-Q200 PolarHBondContact O-N 2.98Å; K197-Q200 WeakPolarHBondContact O-CB 3.31Å; K197-Q200 PolarHBondContact O-N 3.43Å; Y198-Q200 VanDerWaalsContact C-N 3.27Å; Y198-Q200 PolarHBondContact O-N 3.16Å; Q200-N204 WeakPolarHBondContact O-CB 3.4Å; Q200-N204 PolarHBondContact O-N 2.93Å; Q200-N204 PolarHBondContact O-ND2 3.06Å; Q200-A276 PolarHBondContact NE2-O 3.39Å; Q200-L340 HydrophobicContact CB-CD1 4.41Å; Q200-L340 HydrophobicContact CB-CD2 4.44Å; Q200-L340 HydrophobicContact CG-CD1 4.48Å
201	A	69.7	Low	69	Low	63 Å²	63	67.1 Å²	67.1	52%	0.521	33%	0.325	S	S	.	.	H	α-helix	trans	-66.1	-43.1	176.6	0	0	0	0	0	112.5	K197 Y198 N204 L205	K197-A201 PolarHBondContact O-N 3.04Å; K197-A201 VanDerWaalsContact O-N 3.16Å; Y198-A201 PolarHBondContact O-N 3.48Å; A201-N204 PolarHBondContact O-N 2.95Å; A201-L205 PolarHBondContact O-N 3.34Å
202	E	69.4	Low	69.9	Low	97 Å²	97	65.5 Å²	65.5	45%	0.453	32%	0.324	S	S	.	.	H	α-helix	trans	-61.9	-44.3	177.9	-169.3	164.3	-135.4	0	0	111.9	Y198 R199 F206	Y198-E202 WeakPolarHBondContact CE1-OE2 3.35Å; Y198-E202 PolarHBondContact O-N 3.47Å; Y198-E202 VanDerWaalsContact O-N 3.1Å; R199-E202 PolarHBondContact O-N 3.44Å; E202-F206 PolarHBondContact O-N 3.24Å
203	I	71.5	Confident	70.7	Confident	13 Å²	13	65.8 Å²	65.8	7%	0.067	33%	0.327	C	S	.	.	H	α-helix	trans	-65.3	-44.8	175.2	-70.2	166.1	0	0	0	111.4	R199 L205 F206 I207 L340	R199-I203 WeakPolarHBondContact O-CB 3.39Å; R199-I203 WeakPolarHBondContact O-CD1 3.46Å; R199-I203 VanDerWaalsContact O-CG1 3.23Å; R199-I203 WeakPolarHBondContact O-CG1 3.25Å; R199-I203 PolarHBondContact O-N 3.48Å; I203-L205 PolarHBondContact O-N 3.5Å; I203-F206 PolarHBondContact O-N 3.33Å; I203-I207 HydrophobicContact CG2-CD1 3.56Å; I203-I207 HydrophobicContact CG2-CG1 4.35Å; I203-I207 WeakPolarHBondContact O-CD1 3.32Å; I203-I207 VanDerWaalsContact O-CG1 3.28Å; I203-I207 WeakPolarHBondContact O-CG1 3.19Å; I203-I207 PolarHBondContact O-N 3.41Å; I203-L340 HydrophobicContact CD1-CB 4.39Å; I203-L340 HydrophobicContact CD1-CD2 4.11Å; I203-L340 HydrophobicContact CD1-CG 4.09Å
204	N	74.9	Confident	71.4	Confident	40 Å²	40	62.2 Å²	62.2	21%	0.214	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-42.3	178.2	-86.4	-23.3	0	0	0	112.4	Q200 A201 I207 S208 A276 N277	Q200-N204 WeakPolarHBondContact O-CB 3.4Å; Q200-N204 PolarHBondContact O-N 2.93Å; Q200-N204 PolarHBondContact O-ND2 3.06Å; A201-N204 PolarHBondContact O-N 2.95Å; N204-I207 PolarHBondContact O-N 3.4Å; N204-S208 WeakPolarHBondContact O-CB 3.47Å; N204-S208 PolarHBondContact O-N 2.8Å; N204-A276 WeakPolarHBondContact OD1-CB 3.27Å; N204-N277 PolarHBondContact ND2-OD1 3.48Å; N204-N277 PolarHBondContact OD1-ND2 3.29Å
205	L	73.1	Confident	72.2	Confident	99 Å²	99	59 Å²	59	52%	0.518	30%	0.302	S	S	.	.	H	α-helix	trans	-61.3	-47	176.6	-178.5	63.8	0	0	0	111.3	A201 I203 I207 S208 L209	A201-L205 PolarHBondContact O-N 3.34Å; I203-L205 PolarHBondContact O-N 3.5Å; L205-I207 PolarHBondContact O-N 3.34Å; L205-S208 PolarHBondContact O-N 2.72Å; L205-L209 HydrophobicContact CG-CD1 4.33Å; L205-L209 WeakPolarHBondContact O-CG 3.44Å; L205-L209 PolarHBondContact O-N 3.22Å; L205-L209 VanDerWaalsContact O-N 3.08Å
206	F	71.4	Confident	72.4	Confident	50 Å²	50	59.3 Å²	59.3	22%	0.219	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-44.7	177.5	177.1	-104.2	0	0	0	112.7	E202 I203 L209 N210 F437	E202-F206 PolarHBondContact O-N 3.24Å; I203-F206 PolarHBondContact O-N 3.33Å; F206-L209 PolarHBondContact O-N 2.97Å; F206-N210 WeakPolarHBondContact CE1-ND2 3.26Å; F206-N210 VanDerWaalsContact CE2-ND2 3.29Å; F206-N210 WeakPolarHBondContact CE2-ND2 3.49Å; F206-N210 WeakPolarHBondContact CZ-ND2 3.47Å; F206-N210 PolarHBondContact O-N 2.98Å; F206-N210 PolarHBondContact O-ND2 3.47Å; F206-F437 HydrophobicContact CE1-CE1 4.31Å
207	I	77.2	Confident	72.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.6	-42.4	178.1	-61.2	157.3	0	0	0	110.6	I203 N204 L205 L209 N210 L211 L269 V273	I203-I207 HydrophobicContact CG2-CD1 3.56Å; I203-I207 HydrophobicContact CG2-CG1 4.35Å; I203-I207 WeakPolarHBondContact O-CD1 3.32Å; I203-I207 VanDerWaalsContact O-CG1 3.28Å; I203-I207 WeakPolarHBondContact O-CG1 3.19Å; I203-I207 PolarHBondContact O-N 3.41Å; N204-I207 PolarHBondContact O-N 3.4Å; L205-I207 PolarHBondContact O-N 3.34Å; I207-L209 VanDerWaalsContact C-N 3.34Å; I207-L209 PolarHBondContact O-N 2.7Å; I207-N210 PolarHBondContact O-N 3.18Å; I207-L211 WeakPolarHBondContact O-CB 3.46Å; I207-L211 PolarHBondContact O-N 3.42Å; I207-L269 HydrophobicContact CG2-CB 4.11Å; I207-L269 HydrophobicContact CG2-CD2 4.12Å; I207-L269 VanDerWaalsContact CG2-O 3.32Å; I207-L269 WeakPolarHBondContact CG2-O 3.46Å; I207-V273 HydrophobicContact CB-CG2 4.32Å; I207-V273 HydrophobicContact CG2-CG2 3.39Å
208	S	73.7	Confident	73.1	Confident	66 Å²	66	57.6 Å²	57.6	46%	0.462	30%	0.297	S	S	.	.	H	α-helix	trans	-60.4	-40.9	178.8	-168	0	0	0	0	112.7	N204 L205 L211 V212	N204-S208 WeakPolarHBondContact O-CB 3.47Å; N204-S208 PolarHBondContact O-N 2.8Å; L205-S208 PolarHBondContact O-N 2.72Å; S208-L211 PolarHBondContact O-N 3.14Å; S208-V212 WeakPolarHBondContact O-CG2 3.43Å; S208-V212 PolarHBondContact O-N 3.46Å; S208-V212 VanDerWaalsContact O-N 3.13Å
209	L	71.9	Confident	73.5	Confident	67 Å²	67	55.7 Å²	55.7	35%	0.351	30%	0.297	S	S	.	.	H	α-helix	trans	-65.7	-49.1	178.5	-69.5	169.3	0	0	0	111.7	L205 F206 I207 L211 V212 V213	L205-L209 HydrophobicContact CG-CD1 4.33Å; L205-L209 WeakPolarHBondContact O-CG 3.44Å; L205-L209 PolarHBondContact O-N 3.22Å; L205-L209 VanDerWaalsContact O-N 3.08Å; F206-L209 PolarHBondContact O-N 2.97Å; I207-L209 VanDerWaalsContact C-N 3.34Å; I207-L209 PolarHBondContact O-N 2.7Å; L209-L211 VanDerWaalsContact C-N 3.29Å; L209-L211 PolarHBondContact O-N 3.01Å; L209-V212 PolarHBondContact O-N 3.01Å; L209-V213 WeakPolarHBondContact O-CG2 3.38Å; L209-V213 PolarHBondContact O-N 3.23Å
210	N	71	Confident	73.6	Confident	32 Å²	32	52.1 Å²	52.1	17%	0.171	29%	0.29	C	S	.	.	H	α-helix	trans	-62.7	-37.2	177.7	-70	-62.8	0	0	0	112	F206 I207 V213 C214 L269	F206-N210 WeakPolarHBondContact CE1-ND2 3.26Å; F206-N210 VanDerWaalsContact CE2-ND2 3.29Å; F206-N210 WeakPolarHBondContact CE2-ND2 3.49Å; F206-N210 WeakPolarHBondContact CZ-ND2 3.47Å; F206-N210 PolarHBondContact O-N 2.98Å; F206-N210 PolarHBondContact O-ND2 3.47Å; I207-N210 PolarHBondContact O-N 3.18Å; N210-V213 PolarHBondContact O-N 3.32Å; N210-C214 WeakPolarHBondContact O-CB 3.23Å; N210-C214 PolarHBondContact O-N 3.24Å; N210-C214 PolarHBondContact O-SG 2.98Å; N210-L269 HydrophobicContact CB-CD1 3.8Å; N210-L269 HydrophobicContact CB-CD2 3.99Å
211	L	78.8	Confident	73.4	Confident	36 Å²	36	52.9 Å²	52.9	19%	0.188	29%	0.294	C	S	.	.	H	α-helix	trans	-65.5	-40.7	179.3	179.7	141.7	0	0	0	111.9	I207 S208 L209 C214 I215 L269 L270	I207-L211 WeakPolarHBondContact O-CB 3.46Å; I207-L211 PolarHBondContact O-N 3.42Å; S208-L211 PolarHBondContact O-N 3.14Å; L209-L211 VanDerWaalsContact C-N 3.29Å; L209-L211 PolarHBondContact O-N 3.01Å; L211-C214 PolarHBondContact O-N 3.46Å; L211-I215 HydrophobicContact CD2-CD1 3.55Å; L211-I215 HydrophobicContact CG-CD1 4Å; L211-I215 WeakPolarHBondContact O-CB 3.43Å; L211-I215 VanDerWaalsContact O-CG1 3.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.39Å; L211-I215 PolarHBondContact O-N 3.3Å; L211-L269 HydrophobicContact CB-CB 4.49Å; L211-L269 HydrophobicContact CB-CD1 4.35Å; L211-L269 HydrophobicContact CD1-CB 4.44Å; L211-L270 HydrophobicContact CD1-CB 4.48Å
212	V	74.4	Confident	73.3	Confident	73 Å²	73	54.1 Å²	54.1	44%	0.442	29%	0.291	S	S	.	.	H	α-helix	trans	-60.4	-46.9	172.6	169.1	0	0	0	0	111.3	S208 L209 I215 F216	S208-V212 WeakPolarHBondContact O-CG2 3.43Å; S208-V212 PolarHBondContact O-N 3.46Å; S208-V212 VanDerWaalsContact O-N 3.13Å; L209-V212 PolarHBondContact O-N 3.01Å; V212-I215 PolarHBondContact O-N 3.02Å; V212-F216 WeakPolarHBondContact O-CB 3.38Å; V212-F216 PolarHBondContact O-N 3.16Å
213	V	75	Confident	73.2	Confident	42 Å²	42	52.4 Å²	52.4	26%	0.255	29%	0.287	S	S	.	.	H	α-helix	trans	-64.1	-42.4	179.7	175.3	0	0	0	0	112	L209 N210 F216 L217 F354	L209-V213 WeakPolarHBondContact O-CG2 3.38Å; L209-V213 PolarHBondContact O-N 3.23Å; N210-V213 PolarHBondContact O-N 3.32Å; V213-F216 PolarHBondContact O-N 3.09Å; V213-L217 HydrophobicContact CG1-CD1 4.03Å; V213-L217 PolarHBondContact O-N 3.26Å; V213-L217 VanDerWaalsContact O-N 3.09Å; V213-F354 HydrophobicContact CG1-CE2 4.19Å; V213-F354 HydrophobicContact CG1-CZ 3.97Å
214	C	76.3	Confident	72.7	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.02	31%	0.31	C	S	.	.	H	α-helix	trans	-68.1	-41.9	179.4	-64.1	0	0	0	0	112.1	N210 L211 F216 L217 V218 T266 L269 F354	N210-C214 WeakPolarHBondContact O-CB 3.23Å; N210-C214 PolarHBondContact O-N 3.24Å; N210-C214 PolarHBondContact O-SG 2.98Å; L211-C214 PolarHBondContact O-N 3.46Å; C214-F216 VanDerWaalsContact C-N 3.33Å; C214-F216 PolarHBondContact O-N 3.1Å; C214-L217 PolarHBondContact O-N 2.87Å; C214-V218 WeakPolarHBondContact O-CG2 3.24Å; C214-V218 PolarHBondContact O-N 3.4Å; C214-T266 HydrophobicContact CB-CG2 3.49Å; C214-T266 VanDerWaalsContact CB-CG2 3.49Å; C214-L269 HydrophobicContact CB-CD1 4.49Å; C214-F354 WeakPolarHBondContact SG-CD2 3.3Å
215	I	75.9	Confident	72	Confident	85 Å²	85	58.1 Å²	58.1	44%	0.436	31%	0.311	S	S	.	.	H	α-helix	trans	-60.3	-44.9	174.1	-71.6	170.7	0	0	0	110.4	L211 V212 L217 V218 V219	L211-I215 HydrophobicContact CD2-CD1 3.55Å; L211-I215 HydrophobicContact CG-CD1 4Å; L211-I215 WeakPolarHBondContact O-CB 3.43Å; L211-I215 VanDerWaalsContact O-CG1 3.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.39Å; L211-I215 PolarHBondContact O-N 3.3Å; V212-I215 PolarHBondContact O-N 3.02Å; I215-L217 VanDerWaalsContact C-N 3.34Å; I215-L217 PolarHBondContact O-N 3.35Å; I215-V218 PolarHBondContact O-N 3.06Å; I215-V219 HydrophobicContact CG2-CG2 4.42Å; I215-V219 WeakPolarHBondContact O-CG2 3.43Å; I215-V219 PolarHBondContact O-N 3.27Å
216	F	72.8	Confident	71.1	Confident	96 Å²	96	58.6 Å²	58.6	42%	0.421	31%	0.314	S	S	.	.	H	α-helix	trans	-59.3	-43.1	179	-171.8	-98.1	0	0	0	112.6	V212 V213 C214 V219 S220	V212-F216 WeakPolarHBondContact O-CB 3.38Å; V212-F216 PolarHBondContact O-N 3.16Å; V213-F216 PolarHBondContact O-N 3.09Å; C214-F216 VanDerWaalsContact C-N 3.33Å; C214-F216 PolarHBondContact O-N 3.1Å; F216-V219 PolarHBondContact O-N 3.49Å; F216-S220 WeakPolarHBondContact O-CB 3.36Å; F216-S220 PolarHBondContact O-N 3.48Å
217	L	74.2	Confident	70.1	Confident	44 Å²	44	64.5 Å²	64.5	23%	0.23	34%	0.336	C	S	.	.	H	α-helix	trans	-69.5	-36.5	177.7	-76	162.3	0	0	0	113	V213 C214 I215 S220 M221 L262 F354	V213-L217 HydrophobicContact CG1-CD1 4.03Å; V213-L217 PolarHBondContact O-N 3.26Å; V213-L217 VanDerWaalsContact O-N 3.09Å; C214-L217 PolarHBondContact O-N 2.87Å; I215-L217 VanDerWaalsContact C-N 3.34Å; I215-L217 PolarHBondContact O-N 3.35Å; L217-S220 PolarHBondContact O-N 2.9Å; L217-M221 WeakPolarHBondContact O-CG 3.49Å; L217-M221 PolarHBondContact O-N 2.92Å; L217-L262 HydrophobicContact CB-CD1 4.4Å; L217-L262 HydrophobicContact CB-CD2 4.37Å; L217-F354 HydrophobicContact CD1-CE2 3.54Å; L217-F354 HydrophobicContact CD1-CZ 3.7Å
218	V	75.8	Confident	68.7	Low	27 Å²	27	69.9 Å²	69.9	16%	0.164	36%	0.364	C	S	.	.	H	α-helix	trans	-63.1	-45.3	172.2	171.6	0	0	0	0	110.8	C214 I215 S220 M221 M222 L259 L262 T266	C214-V218 WeakPolarHBondContact O-CG2 3.24Å; C214-V218 PolarHBondContact O-N 3.4Å; I215-V218 PolarHBondContact O-N 3.06Å; V218-S220 PolarHBondContact O-N 3.48Å; V218-M221 PolarHBondContact O-N 2.83Å; V218-M222 WeakPolarHBondContact O-CG 3.49Å; V218-M222 PolarHBondContact O-N 3.49Å; V218-L259 HydrophobicContact CG1-CD1 4.47Å; V218-L262 HydrophobicContact CG2-CB 3.8Å; V218-T266 HydrophobicContact CG2-CG2 4.4Å
219	V	75.4	Confident	67.1	Low	80 Å²	80	70.9 Å²	70.9	49%	0.485	37%	0.368	S	S	.	.	H	α-helix	trans	-60.4	-45.4	176	171	0	0	0	0	111.1	I215 F216 M221 M222 T223	I215-V219 HydrophobicContact CG2-CG2 4.42Å; I215-V219 WeakPolarHBondContact O-CG2 3.43Å; I215-V219 PolarHBondContact O-N 3.27Å; F216-V219 PolarHBondContact O-N 3.49Å; V219-M221 PolarHBondContact O-N 3.19Å; V219-M222 PolarHBondContact O-N 3.44Å; V219-T223 HydrophobicContact CG1-CG2 4.46Å; V219-T223 PolarHBondContact O-N 3.26Å; V219-T223 PolarHBondContact O-OG1 2.94Å
220	S	69.4	Low	65.3	Low	42 Å²	42	74.6 Å²	74.6	29%	0.294	39%	0.388	S	S	.	.	H	α-helix	trans	-57.6	-47.9	177.6	179.5	0	0	0	0	112.3	F216 L217 V218 M222 T223 Y224	F216-S220 WeakPolarHBondContact O-CB 3.36Å; F216-S220 PolarHBondContact O-N 3.48Å; L217-S220 PolarHBondContact O-N 2.9Å; V218-S220 PolarHBondContact O-N 3.48Å; S220-M222 PolarHBondContact O-N 2.77Å; S220-T223 WeakPolarHBondContact CA-OG1 3.33Å; S220-T223 PolarHBondContact O-N 3.01Å; S220-T223 PolarHBondContact O-OG1 2.66Å; S220-Y224 PolarHBondContact O-N 2.95Å
221	M	69.2	Low	63.7	Low	55 Å²	55	78.2 Å²	78.2	27%	0.271	41%	0.413	S	S	.	.	H	α-helix	trans	-62.5	-39	176.4	-66	-67.5	95.7	0	0	112.7	L217 V218 V219 Y224 S225 L262	L217-M221 WeakPolarHBondContact O-CG 3.49Å; L217-M221 PolarHBondContact O-N 2.92Å; V218-M221 PolarHBondContact O-N 2.83Å; V219-M221 PolarHBondContact O-N 3.19Å; M221-Y224 PolarHBondContact O-N 3.29Å; M221-S225 PolarHBondContact O-N 2.71Å; M221-S225 VanDerWaalsContact O-N 3.12Å; M221-L262 HydrophobicContact CG-CD1 4.27Å
222	M	68.2	Low	61.8	Low	90 Å²	90	82.4 Å²	82.4	44%	0.443	44%	0.442	S	S	.	.	H	α-helix	trans	-65.8	-43.2	174.9	-69.5	-64.8	-168	0	0	112	V218 V219 S220 Y224 S225 N226 L259	V218-M222 WeakPolarHBondContact O-CG 3.49Å; V218-M222 PolarHBondContact O-N 3.49Å; V219-M222 PolarHBondContact O-N 3.44Å; S220-M222 PolarHBondContact O-N 2.77Å; M222-Y224 VanDerWaalsContact C-N 3.34Å; M222-Y224 PolarHBondContact O-N 3.43Å; M222-S225 PolarHBondContact O-N 3.41Å; M222-N226 PolarHBondContact O-N 2.94Å; M222-N226 VanDerWaalsContact O-N 3.1Å; M222-L259 HydrophobicContact CE-CD1 4.22Å; M222-L259 HydrophobicContact CE-CD2 4.09Å
223	T	66.2	Low	59.9	Low	60 Å²	60	85.3 Å²	85.3	37%	0.368	46%	0.46	S	S	.	.	H	α-helix	trans	-62.7	-40.1	176.2	50.9	0	0	0	0	112.3	V219 S220 S225 N226 Y227	V219-T223 HydrophobicContact CG1-CG2 4.46Å; V219-T223 PolarHBondContact O-N 3.26Å; V219-T223 PolarHBondContact O-OG1 2.94Å; S220-T223 WeakPolarHBondContact CA-OG1 3.33Å; S220-T223 PolarHBondContact O-N 3.01Å; S220-T223 PolarHBondContact O-OG1 2.66Å; T223-S225 VanDerWaalsContact C-N 3.32Å; T223-S225 PolarHBondContact O-N 3.4Å; T223-N226 PolarHBondContact O-N 3Å; T223-Y227 WeakPolarHBondContact O-CD2 3.38Å; T223-Y227 PolarHBondContact O-N 3.14Å
224	Y	63	Low	58.1	Low	140 Å²	140	87.6 Å²	87.6	55%	0.549	48%	0.483	S	S	.	.	H	α-helix	trans	-63.3	-37.6	176.2	-171.8	-98.9	0	0	0	112.1	S220 M221 M222 N226 N228	S220-Y224 PolarHBondContact O-N 2.95Å; M221-Y224 PolarHBondContact O-N 3.29Å; M222-Y224 VanDerWaalsContact C-N 3.34Å; M222-Y224 PolarHBondContact O-N 3.43Å; Y224-N226 VanDerWaalsContact C-N 3.35Å; Y224-N228 WeakPolarHBondContact CE1-ND2 3.42Å; Y224-N228 PolarHBondContact O-N 3.34Å
225	S	59	Low	55.8	Low	34 Å²	34	95.5 Å²	95.5	24%	0.238	53%	0.525	C	S	.	.	H	α-helix	trans	-68.2	-33.2	175.6	-157.5	0	0	0	0	113.3	M221 M222 T223 T229	M221-S225 PolarHBondContact O-N 2.71Å; M221-S225 VanDerWaalsContact O-N 3.12Å; M222-S225 PolarHBondContact O-N 3.41Å; T223-S225 VanDerWaalsContact C-N 3.32Å; T223-S225 PolarHBondContact O-N 3.4Å; S225-T229 PolarHBondContact O-OG1 3.48Å
226	N	54.6	Low	53.8	Low	109 Å²	109	96.2 Å²	96.2	58%	0.583	54%	0.538	S	S	*	.	H	α-helix	trans	-76.6	-34.2	177.2	-72.8	-0.9	0	0	0	112.6	M222 T223 Y224 N228 T229	M222-N226 PolarHBondContact O-N 2.94Å; M222-N226 VanDerWaalsContact O-N 3.1Å; T223-N226 PolarHBondContact O-N 3Å; Y224-N226 VanDerWaalsContact C-N 3.35Å; N226-N228 VanDerWaalsContact C-N 3.25Å; N226-N228 PolarHBondContact O-N 3.49Å; N226-T229 WeakPolarHBondContact CA-OG1 3.49Å; N226-T229 PolarHBondContact O-N 2.97Å; N226-T229 PolarHBondContact O-OG1 2.82Å
227	Y	50.5	Low	51.7	Low	174 Å²	174	96.6 Å²	96.6	68%	0.682	55%	0.552	S	S	*	*	H	α-helix	trans	-63.3	-31.6	176.5	-99.9	-83.1	0	0	0	113	T223 T229	T223-Y227 WeakPolarHBondContact O-CD2 3.38Å; T223-Y227 PolarHBondContact O-N 3.14Å; Y227-T229 VanDerWaalsContact C-N 3.29Å; Y227-T229 PolarHBondContact O-N 3.25Å
228	N	46.7	Very low	49.5	Very low	112 Å²	112	99.5 Å²	99.5	60%	0.599	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	7.5	178.7	-68.8	-19.1	0	0	0	114.4	Y224 N226	Y224-N228 WeakPolarHBondContact CE1-ND2 3.42Å; Y224-N228 PolarHBondContact O-N 3.34Å; N226-N228 VanDerWaalsContact C-N 3.25Å; N226-N228 PolarHBondContact O-N 3.49Å
229	T	40.5	Very low	47.4	Very low	87 Å²	87	106.1 Å²	106.1	53%	0.534	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-122.7	8.5	-175.5	43.7	0	0	0	0	115.2	S225 N226 Y227 P231	S225-T229 PolarHBondContact O-OG1 3.48Å; N226-T229 WeakPolarHBondContact CA-OG1 3.49Å; N226-T229 PolarHBondContact O-N 2.97Å; N226-T229 PolarHBondContact O-OG1 2.82Å; Y227-T229 VanDerWaalsContact C-N 3.29Å; Y227-T229 PolarHBondContact O-N 3.25Å; T229-P231 WeakPolarHBondContact O-CD 3.47Å
230	L	34.1	Very low	45.1	Very low	146 Å²	146	109.8 Å²	109.8	76%	0.764	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-89	117.6	169.1	-106.1	70.1	0	0	0	111.4
231	P	37.7	Very low	43.3	Very low	108 Å²	108	115.7 Å²	115.7	70%	0.701	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-73.8	139.4	168.1	30.8	-33	0	0	0	110.4	T229 T233	T229-P231 WeakPolarHBondContact O-CD 3.47Å; P231-T233 PolarHBondContact O-N 2.82Å
232	P	39.9	Very low	41.3	Very low	123 Å²	123	120.9 Å²	120.9	80%	0.799	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-69.7	129.2	174	28.7	-33.3	0	0	0	110.6	A234	P232-A234 PolarHBondContact O-N 2.76Å
233	T	34.7	Very low	39.6	Very low	135 Å²	135	121.9 Å²	121.9	83%	0.828	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-63.9	123.5	179.9	49.2	0	0	0	0	111.9	P231	P231-T233 PolarHBondContact O-N 2.82Å
234	A	35.4	Very low	37.7	Very low	89 Å²	89	130.5 Å²	130.5	74%	0.736	71%	0.714	S	S	*	*			trans	-130	86.9	176.7	0	0	0	0	0	110.3	P232 S236	P232-A234 PolarHBondContact O-N 2.76Å; A234-S236 PolarHBondContact O-N 3.05Å; A234-S236 VanDerWaalsContact O-N 3.12Å
235	D	29.4	Very low	36.2	Very low	169 Å²	169	128.3 Å²	128.3	90%	0.904	73%	0.725	S	S	*	*			trans	-79.2	90.6	178.1	-74.7	-45.9	0	0	0	111.6
236	S	32.5	Very low	34.8	Very low	100 Å²	100	133.6 Å²	133.6	70%	0.699	76%	0.755	S	S	*	*			trans	-143.2	96.2	159.9	66.6	0	0	0	0	112	A234	A234-S236 PolarHBondContact O-N 3.05Å; A234-S236 VanDerWaalsContact O-N 3.12Å
237	S	29.8	Very low	33.8	Very low	104 Å²	104	133.9 Å²	133.9	73%	0.727	77%	0.766	S	S	*	*			trans	51.3	102.4	155.6	58.6	0	0	0	0	119.4
238	S	28	Very low	33.2	Very low	105 Å²	105	130 Å²	130	73%	0.734	76%	0.764	S	S	*	*			trans	49.9	115.2	131	63.5	0	0	0	0	120.2
239	I	30.6	Very low	32.9	Very low	167 Å²	167	131.2 Å²	131.2	86%	0.856	77%	0.77	S	S	*	*				-162.7	142.7	93.8	-93.7	155.3	0	0	0	109
240	I	28.8	Very low	32.9	Very low	157 Å²	157	135.5 Å²	135.5	81%	0.805	78%	0.783	S	S	*	*			trans	-98.1	131.7	-178.3	-64.4	163.1	0	0	0	109
241	Q	30.8	Very low	33.8	Very low	166 Å²	166	131.2 Å²	131.2	78%	0.776	76%	0.761	S	S	*	*			trans	-169.2	145.5	137.3	-106.5	171.6	-26	0	0	113.3
242	H	27.7	Very low	35	Very low	163 Å²	163	129.8 Å²	129.8	76%	0.755	75%	0.75	S	S	*	*			trans	-4.7	135.5	171.4	-45.6	-67.7	0	0	0	118.7
243	S	31.6	Very low	36.2	Very low	111 Å²	111	131.3 Å²	131.3	78%	0.776	75%	0.746	S	S	*	*				-162.4	158.9	64.6	51	0	0	0	0	115.1
244	Y	27.1	Very low	37.7	Very low	242 Å²	242	126.9 Å²	126.9	95%	0.949	72%	0.719	S	S	*	*			trans	-77	122.5	175	-76.6	-101.8	0	0	0	112.3
245	A	30.7	Very low	39.2	Very low	94 Å²	94	125.8 Å²	125.8	78%	0.777	70%	0.701	S	S	*	*			trans	-145.4	146	165.3	0	0	0	0	0	110.3	S247	A245-S247 PolarHBondContact O-N 3.06Å
246	V	29.8	Very low	41.4	Very low	144 Å²	144	121.8 Å²	121.8	87%	0.873	68%	0.679	S	S	*	*			trans	-71.9	117.4	-174.8	178	0	0	0	0	110.6	S248	V246-S248 PolarHBondContact O-N 3.47Å; V246-S248 VanDerWaalsContact O-N 3.16Å
247	S	33.3	Very low	43.5	Very low	115 Å²	115	120.5 Å²	120.5	80%	0.804	66%	0.664	S	S	*	*			trans	-68.9	107.7	175.5	53.4	0	0	0	0	110.9	A245 L249	A245-S247 PolarHBondContact O-N 3.06Å; S247-L249 PolarHBondContact O-N 3.42Å
248	S	37.4	Very low	45.7	Very low	92 Å²	92	118.8 Å²	118.8	64%	0.643	64%	0.641	S	S	*	*			trans	-67.3	126.6	-176.1	52	0	0	0	0	113	V246 H250	V246-S248 PolarHBondContact O-N 3.47Å; V246-S248 VanDerWaalsContact O-N 3.16Å; S248-H250 PolarHBondContact O-N 2.84Å
249	L	40.4	Very low	48.1	Very low	139 Å²	139	115.2 Å²	115.2	73%	0.728	61%	0.614	S	S	*	*			trans	-71.6	94.8	176.4	-164.8	82.7	0	0	0	110.3	S247 L251	S247-L249 PolarHBondContact O-N 3.42Å; L249-L251 PolarHBondContact O-N 3.36Å
250	H	40.2	Very low	50.6	Low	176 Å²	176	111.2 Å²	111.2	82%	0.815	60%	0.597	S	S	*	*			trans	-78.2	45	-170.1	-135.7	-65.4	0	0	0	114.3	S248	S248-H250 PolarHBondContact O-N 2.84Å
251	L	54.1	Low	53.3	Low	56 Å²	56	105.1 Å²	105.1	29%	0.293	57%	0.566	S	S	.	*			trans	-67.4	129	177.2	-168.4	70	0	0	0	110.1	L249 N255 L256	L249-L251 PolarHBondContact O-N 3.36Å; L251-N255 HydrophobicContact CD1-CB 3.74Å; L251-N255 HydrophobicContact CG-CB 3.99Å; L251-L256 HydrophobicContact CD2-CB 4.01Å; L251-L256 HydrophobicContact CD2-CD1 4.09Å
252	T	63.5	Low	55.6	Low	78 Å²	78	97.3 Å²	97.3	48%	0.479	53%	0.53	S	S	.	.			trans	-63.6	143.9	177.6	63.6	0	0	0	0	110.8	V254 N255 L256	T252-V254 PolarHBondContact O-N 3.05Å; T252-V254 VanDerWaalsContact O-N 3.08Å; T252-N255 PolarHBondContact O-N 3.49Å; T252-N255 WeakPolarHBondContact OG1-CB 2.88Å; T252-N255 VanDerWaalsContact OG1-CG 3.26Å; T252-N255 PolarHBondContact OG1-N 2.94Å; T252-N255 PolarHBondContact OG1-ND2 3.18Å; T252-L256 PolarHBondContact O-N 2.98Å
253	H	63.9	Low	58.3	Low	155 Å²	155	93.1 Å²	93.1	72%	0.718	51%	0.512	S	S	*	.	H	α-helix	trans	-51.2	-36.1	177.2	-87.1	-78.4	0	0	0	112.7	L256 I257	H253-L256 PolarHBondContact O-N 3.08Å; H253-I257 WeakPolarHBondContact O-CD1 3.44Å; H253-I257 VanDerWaalsContact O-CG1 3.25Å; H253-I257 WeakPolarHBondContact O-CG1 3.11Å; H253-I257 PolarHBondContact O-N 3.17Å
254	V	66.8	Low	60.9	Low	42 Å²	42	90.1 Å²	90.1	26%	0.255	49%	0.491	S	S	.	.	H	α-helix	trans	-63.1	-45.4	176.2	176.1	0	0	0	0	112	T252 I257 R258 W361	T252-V254 PolarHBondContact O-N 3.05Å; T252-V254 VanDerWaalsContact O-N 3.08Å; V254-I257 PolarHBondContact O-N 3.42Å; V254-R258 WeakPolarHBondContact O-CB 3.12Å; V254-R258 PolarHBondContact O-N 2.98Å; V254-W361 HydrophobicContact CG1-CB 3.8Å
255	N	67.3	Low	63.7	Low	66 Å²	66	78.6 Å²	78.6	35%	0.353	45%	0.446	S	S	.	.	H	α-helix	trans	-69.7	-35	178.2	-70.8	-3.5	0	0	0	111.7	L251 T252 R258 L259	L251-N255 HydrophobicContact CD1-CB 3.74Å; L251-N255 HydrophobicContact CG-CB 3.99Å; T252-N255 PolarHBondContact O-N 3.49Å; T252-N255 WeakPolarHBondContact OG1-CB 2.88Å; T252-N255 VanDerWaalsContact OG1-CG 3.26Å; T252-N255 PolarHBondContact OG1-N 2.94Å; T252-N255 PolarHBondContact OG1-ND2 3.18Å; N255-R258 PolarHBondContact O-N 3.42Å; N255-L259 WeakPolarHBondContact O-CB 3.41Å; N255-L259 PolarHBondContact O-N 3Å
256	L	74.4	Confident	66.2	Low	86 Å²	86	75.4 Å²	75.4	45%	0.45	42%	0.417	S	S	.	.	H	α-helix	trans	-63.2	-44.7	173.5	-176	64.5	0	0	0	111.9	L251 T252 H253 L259 T260	L251-L256 HydrophobicContact CD2-CB 4.01Å; L251-L256 HydrophobicContact CD2-CD1 4.09Å; T252-L256 PolarHBondContact O-N 2.98Å; H253-L256 PolarHBondContact O-N 3.08Å; L256-L259 PolarHBondContact O-N 3.49Å; L256-T260 WeakPolarHBondContact O-CB 3.43Å; L256-T260 PolarHBondContact O-N 3.33Å; L256-T260 PolarHBondContact O-OG1 2.97Å
257	I	78.3	Confident	69	Low	73 Å²	73	72.1 Å²	72.1	37%	0.374	40%	0.397	S	S	.	.	H	α-helix	trans	-61	-47.4	174.4	-70.7	162.9	0	0	0	110.4	H253 V254 L259 T260 L261 W361	H253-I257 WeakPolarHBondContact O-CD1 3.44Å; H253-I257 VanDerWaalsContact O-CG1 3.25Å; H253-I257 WeakPolarHBondContact O-CG1 3.11Å; H253-I257 PolarHBondContact O-N 3.17Å; V254-I257 PolarHBondContact O-N 3.42Å; I257-L259 PolarHBondContact O-N 2.85Å; I257-T260 PolarHBondContact O-N 3.45Å; I257-L261 HydrophobicContact CG2-CD1 3.94Å; I257-L261 WeakPolarHBondContact O-CG 3.21Å; I257-L261 PolarHBondContact O-N 3.1Å; I257-W361 HydrophobicContact CG2-CD2 4.49Å; I257-W361 HydrophobicContact CG2-CZ2 4.48Å
258	R	75	Confident	71.6	Confident	67 Å²	67	68 Å²	68	25%	0.253	37%	0.366	S	S	.	.	H	α-helix	trans	-59.3	-45.9	179.2	-172.1	169.8	-163	-158	2.9	112.4	V254 N255 L261 L262 A357 N358	V254-R258 WeakPolarHBondContact O-CB 3.12Å; V254-R258 PolarHBondContact O-N 2.98Å; N255-R258 PolarHBondContact O-N 3.42Å; R258-L261 PolarHBondContact O-N 3.11Å; R258-L262 PolarHBondContact O-N 3.42Å; R258-L262 VanDerWaalsContact O-N 3.11Å; R258-A357 WeakPolarHBondContact CD-O 3.32Å; R258-A357 WeakPolarHBondContact CG-O 3.4Å; R258-A357 PolarHBondContact NE-O 3.39Å; R258-N358 PolarHBondContact NH2-OD1 3.39Å
259	L	79.4	Confident	73.9	Confident	31 Å²	31	63.7 Å²	63.7	16%	0.162	34%	0.336	C	S	.	.	H	α-helix	trans	-63.1	-42.3	176.7	-178.2	60.6	0	0	0	111.6	V218 M222 N255 L256 I257 L261 L262 I263	V218-L259 HydrophobicContact CG1-CD1 4.47Å; M222-L259 HydrophobicContact CE-CD1 4.22Å; M222-L259 HydrophobicContact CE-CD2 4.09Å; N255-L259 WeakPolarHBondContact O-CB 3.41Å; N255-L259 PolarHBondContact O-N 3Å; L256-L259 PolarHBondContact O-N 3.49Å; I257-L259 PolarHBondContact O-N 2.85Å; L259-L261 PolarHBondContact O-N 3.34Å; L259-L262 PolarHBondContact O-N 3.08Å; L259-I263 HydrophobicContact CD1-CD1 4.03Å; L259-I263 HydrophobicContact CD1-CG1 4.34Å; L259-I263 HydrophobicContact CG-CD1 3.88Å; L259-I263 VanDerWaalsContact O-CG1 3.31Å; L259-I263 WeakPolarHBondContact O-CG1 3.27Å; L259-I263 PolarHBondContact O-N 3.42Å
260	T	82.5	Confident	76	Confident	82 Å²	82	62.2 Å²	62.2	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-62	-42	178.1	-56.1	0	0	0	0	111.9	L256 I257 I263 S264	L256-T260 WeakPolarHBondContact O-CB 3.43Å; L256-T260 PolarHBondContact O-N 3.33Å; L256-T260 PolarHBondContact O-OG1 2.97Å; I257-T260 PolarHBondContact O-N 3.45Å; T260-I263 PolarHBondContact O-N 2.89Å; T260-S264 WeakPolarHBondContact O-CB 3.42Å; T260-S264 PolarHBondContact O-N 3.37Å
261	L	84.1	Confident	78.1	Confident	29 Å²	29	57 Å²	57	15%	0.152	31%	0.305	C	S	.	.	H	α-helix	trans	-66.3	-41.5	177	-69.6	168.3	0	0	0	112.4	I257 R258 L259 S264 S265 L353 L356 A357 W361	I257-L261 HydrophobicContact CG2-CD1 3.94Å; I257-L261 WeakPolarHBondContact O-CG 3.21Å; I257-L261 PolarHBondContact O-N 3.1Å; R258-L261 PolarHBondContact O-N 3.11Å; L259-L261 PolarHBondContact O-N 3.34Å; L261-S264 PolarHBondContact O-N 3.15Å; L261-S265 PolarHBondContact O-N 3Å; L261-L353 HydrophobicContact CD2-CD2 3.73Å; L261-L356 HydrophobicContact CD1-CB 4.19Å; L261-A357 HydrophobicContact CB-CB 3.78Å; L261-W361 HydrophobicContact CD1-CZ2 3.86Å
262	L	81	Confident	79.5	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-46	174.7	-74	171	0	0	0	112	L217 V218 M221 R258 L259 S264 S265 T266 F354 A357	L217-L262 HydrophobicContact CB-CD1 4.4Å; L217-L262 HydrophobicContact CB-CD2 4.37Å; V218-L262 HydrophobicContact CG2-CB 3.8Å; M221-L262 HydrophobicContact CG-CD1 4.27Å; R258-L262 PolarHBondContact O-N 3.42Å; R258-L262 VanDerWaalsContact O-N 3.11Å; L259-L262 PolarHBondContact O-N 3.08Å; L262-S264 PolarHBondContact O-N 3.25Å; L262-S265 WeakPolarHBondContact O-CB 3.46Å; L262-S265 PolarHBondContact O-N 2.79Å; L262-T266 PolarHBondContact O-N 3.41Å; L262-F354 HydrophobicContact CD2-CD2 4.26Å; L262-F354 HydrophobicContact CD2-CE2 4.41Å; L262-A357 HydrophobicContact CD2-CB 3.92Å; L262-A357 HydrophobicContact CG-CB 3.91Å
263	I	84.2	Confident	80.4	Confident	76 Å²	76	53 Å²	53	39%	0.39	28%	0.283	S	S	.	.	H	α-helix	trans	-60.1	-47.4	176.9	-69.2	168.2	0	0	0	110.1	L259 T260 S265 T266 V267	L259-I263 HydrophobicContact CD1-CD1 4.03Å; L259-I263 HydrophobicContact CD1-CG1 4.34Å; L259-I263 HydrophobicContact CG-CD1 3.88Å; L259-I263 VanDerWaalsContact O-CG1 3.31Å; L259-I263 WeakPolarHBondContact O-CG1 3.27Å; L259-I263 PolarHBondContact O-N 3.42Å; T260-I263 PolarHBondContact O-N 2.89Å; I263-S265 VanDerWaalsContact C-N 3.31Å; I263-S265 PolarHBondContact O-N 3.47Å; I263-T266 PolarHBondContact O-N 2.89Å; I263-T266 VanDerWaalsContact O-N 3.14Å; I263-T266 PolarHBondContact O-OG1 3.02Å; I263-V267 HydrophobicContact CG2-CG2 4.45Å; I263-V267 WeakPolarHBondContact O-CG2 3.5Å; I263-V267 PolarHBondContact O-N 3.26Å
264	S	86.4	Confident	81.3	Confident	47 Å²	47	50.5 Å²	50.5	33%	0.329	27%	0.274	S	S	.	.	H	α-helix	trans	-56.4	-43.5	176.5	-170.3	0	0	0	0	112.4	T260 L261 L262 V267 L268	T260-S264 WeakPolarHBondContact O-CB 3.42Å; T260-S264 PolarHBondContact O-N 3.37Å; L261-S264 PolarHBondContact O-N 3.15Å; L262-S264 PolarHBondContact O-N 3.25Å; S264-V267 PolarHBondContact O-N 3.24Å; S264-L268 PolarHBondContact O-N 3.39Å
265	S	85.1	Confident	82	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.007	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-45.9	174.6	-171.2	0	0	0	0	112.5	L261 L262 I263 V267 L268 L269 A350	L261-S265 PolarHBondContact O-N 3Å; L262-S265 WeakPolarHBondContact O-CB 3.46Å; L262-S265 PolarHBondContact O-N 2.79Å; I263-S265 VanDerWaalsContact C-N 3.31Å; I263-S265 PolarHBondContact O-N 3.47Å; S265-V267 PolarHBondContact O-N 2.9Å; S265-L268 PolarHBondContact O-N 3.37Å; S265-L269 WeakPolarHBondContact O-CG 3.48Å; S265-L269 PolarHBondContact O-N 3.19Å; S265-A350 PolarHBondContact OG-O 2.81Å
266	T	83.8	Confident	82.4	Confident	27 Å²	27	48.6 Å²	48.6	17%	0.166	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-41.3	176.7	60.2	0	0	0	0	113	C214 V218 L262 I263 L269 L270	C214-T266 HydrophobicContact CB-CG2 3.49Å; C214-T266 VanDerWaalsContact CB-CG2 3.49Å; V218-T266 HydrophobicContact CG2-CG2 4.4Å; L262-T266 PolarHBondContact O-N 3.41Å; I263-T266 PolarHBondContact O-N 2.89Å; I263-T266 VanDerWaalsContact O-N 3.14Å; I263-T266 PolarHBondContact O-OG1 3.02Å; T266-L269 PolarHBondContact O-N 2.98Å; T266-L270 WeakPolarHBondContact O-CB 3.42Å; T266-L270 PolarHBondContact O-N 2.96Å
267	V	87.7	Confident	82.3	Confident	75 Å²	75	47.9 Å²	47.9	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-65.2	-44.2	179.2	171	0	0	0	0	110.7	I263 S264 S265 L270 I271	I263-V267 HydrophobicContact CG2-CG2 4.45Å; I263-V267 WeakPolarHBondContact O-CG2 3.5Å; I263-V267 PolarHBondContact O-N 3.26Å; S264-V267 PolarHBondContact O-N 3.24Å; S265-V267 PolarHBondContact O-N 2.9Å; V267-L270 PolarHBondContact O-N 3.08Å; V267-I271 HydrophobicContact CG1-CD1 3.8Å; V267-I271 HydrophobicContact CG1-CG1 4.5Å; V267-I271 VanDerWaalsContact O-CG1 3.27Å; V267-I271 WeakPolarHBondContact O-CG1 3.46Å; V267-I271 PolarHBondContact O-N 3.07Å
268	L	87.7	Confident	81.8	Confident	29 Å²	29	48.1 Å²	48.1	15%	0.152	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-40.6	177.5	-78.5	160.7	0	0	0	112.9	S264 S265 L270 I271 S272 L346 I349 A350 L353	S264-L268 PolarHBondContact O-N 3.39Å; S265-L268 PolarHBondContact O-N 3.37Å; L268-L270 VanDerWaalsContact C-N 3.33Å; L268-L270 PolarHBondContact O-N 3.35Å; L268-I271 PolarHBondContact O-N 3.1Å; L268-S272 PolarHBondContact O-N 3.36Å; L268-S272 PolarHBondContact O-OG 3.09Å; L268-L346 HydrophobicContact CD2-CD2 3.7Å; L268-I349 HydrophobicContact CD1-CG2 3.9Å; L268-A350 HydrophobicContact CB-CB 3.84Å; L268-L353 HydrophobicContact CD1-CD1 3.29Å
269	L	85	Confident	80.9	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-42.5	173.3	-69.8	168.6	0	0	0	111.6	I207 N210 L211 C214 S265 T266 I271 S272 V273 A350	I207-L269 HydrophobicContact CG2-CB 4.11Å; I207-L269 HydrophobicContact CG2-CD2 4.12Å; I207-L269 VanDerWaalsContact CG2-O 3.32Å; I207-L269 WeakPolarHBondContact CG2-O 3.46Å; N210-L269 HydrophobicContact CB-CD1 3.8Å; N210-L269 HydrophobicContact CB-CD2 3.99Å; L211-L269 HydrophobicContact CB-CB 4.49Å; L211-L269 HydrophobicContact CB-CD1 4.35Å; L211-L269 HydrophobicContact CD1-CB 4.44Å; C214-L269 HydrophobicContact CB-CD1 4.49Å; S265-L269 WeakPolarHBondContact O-CG 3.48Å; S265-L269 PolarHBondContact O-N 3.19Å; T266-L269 PolarHBondContact O-N 2.98Å; L269-I271 VanDerWaalsContact C-N 3.33Å; L269-I271 PolarHBondContact O-N 2.99Å; L269-S272 WeakPolarHBondContact O-CB 3.16Å; L269-S272 PolarHBondContact O-N 2.82Å; L269-S272 VanDerWaalsContact O-N 3.13Å; L269-V273 WeakPolarHBondContact O-CG2 3.4Å; L269-V273 PolarHBondContact O-N 3Å; L269-A350 HydrophobicContact CD2-CB 3.83Å; L269-A350 HydrophobicContact CG-CB 3.72Å
270	L	84.9	Confident	79.5	Confident	108 Å²	108	50.3 Å²	50.3	57%	0.565	28%	0.284	S	S	*	.	H	α-helix	trans	-66.7	-35.4	179.1	-158.4	150.2	0	0	0	111.6	L211 T266 V267 L268 V273 L274	L211-L270 HydrophobicContact CD1-CB 4.48Å; T266-L270 WeakPolarHBondContact O-CB 3.42Å; T266-L270 PolarHBondContact O-N 2.96Å; V267-L270 PolarHBondContact O-N 3.08Å; L268-L270 VanDerWaalsContact C-N 3.33Å; L268-L270 PolarHBondContact O-N 3.35Å; L270-V273 PolarHBondContact O-N 3.33Å; L270-L274 PolarHBondContact O-N 2.9Å
271	I	85.9	Confident	77.4	Confident	65 Å²	65	51.5 Å²	51.5	33%	0.333	29%	0.286	S	S	.	.	H	α-helix	trans	-67.6	-38	170.7	-63.2	164.4	0	0	0	111.1	V267 L268 L269 L274 F275 L346	V267-I271 HydrophobicContact CG1-CD1 3.8Å; V267-I271 HydrophobicContact CG1-CG1 4.5Å; V267-I271 VanDerWaalsContact O-CG1 3.27Å; V267-I271 WeakPolarHBondContact O-CG1 3.46Å; V267-I271 PolarHBondContact O-N 3.07Å; L268-I271 PolarHBondContact O-N 3.1Å; L269-I271 VanDerWaalsContact C-N 3.33Å; L269-I271 PolarHBondContact O-N 2.99Å; I271-L274 WeakPolarHBondContact O-CB 3.49Å; I271-L274 PolarHBondContact O-N 3.47Å; I271-L274 VanDerWaalsContact O-N 3.16Å; I271-F275 HydrophobicContact CG2-CD2 3.77Å; I271-F275 HydrophobicContact CG2-CE2 3.66Å; I271-F275 WeakPolarHBondContact O-CD2 3.37Å; I271-F275 PolarHBondContact O-N 3.48Å; I271-L346 HydrophobicContact CG2-CD1 3.94Å
272	S	82.9	Confident	75	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.4	-46.6	171.7	-73.7	0	0	0	0	112.2	L268 L269 L274 F275 A276 S343 L346 S347	L268-S272 PolarHBondContact O-N 3.36Å; L268-S272 PolarHBondContact O-OG 3.09Å; L269-S272 WeakPolarHBondContact O-CB 3.16Å; L269-S272 PolarHBondContact O-N 2.82Å; L269-S272 VanDerWaalsContact O-N 3.13Å; S272-L274 PolarHBondContact O-N 3.06Å; S272-F275 PolarHBondContact O-N 3.45Å; S272-A276 WeakPolarHBondContact O-CB 3.43Å; S272-A276 PolarHBondContact O-N 3.41Å; S272-S343 PolarHBondContact O-OG 2.95Å; S272-S343 VanDerWaalsContact O-OG 3.09Å; S272-S343 PolarHBondContact OG-O 3.48Å; S272-L346 WeakPolarHBondContact OG-CB 3.38Å; S272-S347 PolarHBondContact OG-N 3.4Å
273	V	83	Confident	72.7	Confident	52 Å²	52	62.6 Å²	62.6	32%	0.315	34%	0.342	S	S	.	.	H	α-helix	trans	-54.4	-42	174	-179.3	0	0	0	0	110.5	I207 L269 L270 A276 N277	I207-V273 HydrophobicContact CB-CG2 4.32Å; I207-V273 HydrophobicContact CG2-CG2 3.39Å; L269-V273 WeakPolarHBondContact O-CG2 3.4Å; L269-V273 PolarHBondContact O-N 3Å; L270-V273 PolarHBondContact O-N 3.33Å; V273-A276 PolarHBondContact O-N 3.48Å; V273-N277 WeakPolarHBondContact O-CB 3.45Å; V273-N277 PolarHBondContact O-N 2.91Å; V273-N277 PolarHBondContact O-ND2 3.3Å
274	L	82.1	Confident	70.1	Confident	102 Å²	102	61.1 Å²	61.1	53%	0.534	34%	0.338	S	S	.	.	H	α-helix	trans	-68.4	-38.5	-178.3	-165.1	138.1	0	0	0	112.3	L270 I271 S272 L278	L270-L274 PolarHBondContact O-N 2.9Å; I271-L274 WeakPolarHBondContact O-CB 3.49Å; I271-L274 PolarHBondContact O-N 3.47Å; I271-L274 VanDerWaalsContact O-N 3.16Å; S272-L274 PolarHBondContact O-N 3.06Å; L274-L278 HydrophobicContact CD2-CD1 3.62Å; L274-L278 HydrophobicContact CG-CD1 4.26Å; L274-L278 WeakPolarHBondContact O-CA 3.27Å; L274-L278 WeakPolarHBondContact O-CB 3.36Å; L274-L278 WeakPolarHBondContact O-CD1 3.42Å; L274-L278 PolarHBondContact O-N 3.41Å
275	F	81.2	Confident	67.6	Low	65 Å²	65	62.2 Å²	62.2	29%	0.285	35%	0.346	S	S	.	.	H	α-helix	trans	-70.3	-39.3	171.7	-83.6	-73	0	0	0	113.4	I271 S272 N277 W342 L346	I271-F275 HydrophobicContact CG2-CD2 3.77Å; I271-F275 HydrophobicContact CG2-CE2 3.66Å; I271-F275 WeakPolarHBondContact O-CD2 3.37Å; I271-F275 PolarHBondContact O-N 3.48Å; S272-F275 PolarHBondContact O-N 3.45Å; F275-N277 VanDerWaalsContact C-N 3.29Å; F275-N277 PolarHBondContact O-N 3.4Å; F275-W342 HydrophobicContact CD1-CB 4.26Å; F275-W342 HydrophobicContact CG-CB 4.39Å; F275-L346 HydrophobicContact CD2-CD1 3.43Å; F275-L346 VanDerWaalsContact CD2-CD1 3.43Å; F275-L346 HydrophobicContact CE2-CD1 3.63Å; F275-L346 HydrophobicContact CG-CD1 4.42Å
276	A	75.9	Confident	65.2	Low	3 Å²	3	69.6 Å²	69.6	3%	0.025	38%	0.38	C	S	.	.	H	α-helix	trans	-66.2	-30.9	178.9	0	0	0	0	0	112.9	Q200 N204 S272 V273	Q200-A276 PolarHBondContact NE2-O 3.39Å; N204-A276 WeakPolarHBondContact OD1-CB 3.27Å; S272-A276 WeakPolarHBondContact O-CB 3.43Å; S272-A276 PolarHBondContact O-N 3.41Å; V273-A276 PolarHBondContact O-N 3.48Å
277	N	72.4	Confident	62.8	Low	71 Å²	71	70.7 Å²	70.7	38%	0.38	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	11.9	-175.7	-57.9	-70.1	0	0	0	113.4	N204 V273 F275 P279	N204-N277 PolarHBondContact ND2-OD1 3.48Å; N204-N277 PolarHBondContact OD1-ND2 3.29Å; V273-N277 WeakPolarHBondContact O-CB 3.45Å; V273-N277 PolarHBondContact O-N 2.91Å; V273-N277 PolarHBondContact O-ND2 3.3Å; F275-N277 VanDerWaalsContact C-N 3.29Å; F275-N277 PolarHBondContact O-N 3.4Å; N277-P279 VanDerWaalsContact O-CD 3.3Å; N277-P279 WeakPolarHBondContact O-CD 3.5Å; N277-P279 VanDerWaalsContact O-N 3.13Å
278	L	68.7	Low	60.3	Low	78 Å²	78	71 Å²	71	41%	0.408	39%	0.387	S	S	.	.			trans	-62.2	113.1	177.5	-147.5	79.2	0	0	0	109.2	L274 C280	L274-L278 HydrophobicContact CD2-CD1 3.62Å; L274-L278 HydrophobicContact CG-CD1 4.26Å; L274-L278 WeakPolarHBondContact O-CA 3.27Å; L274-L278 WeakPolarHBondContact O-CB 3.36Å; L274-L278 WeakPolarHBondContact O-CD1 3.42Å; L274-L278 PolarHBondContact O-N 3.41Å; L278-C280 PolarHBondContact O-N 2.95Å
279	P	56	Low	57.8	Low	89 Å²	89	76.7 Å²	76.7	58%	0.578	41%	0.413	S	S	*	.			trans	-70.2	137.1	-168.7	28.6	-35.8	0	0	0	110.5	N277 I281	N277-P279 VanDerWaalsContact O-CD 3.3Å; N277-P279 WeakPolarHBondContact O-CD 3.5Å; N277-P279 VanDerWaalsContact O-N 3.13Å; P279-I281 HydrophobicContact CB-CD1 3.88Å; P279-I281 HydrophobicContact CB-CG1 4.04Å; P279-I281 HydrophobicContact CG-CD1 3.89Å; P279-I281 HydrophobicContact CG-CG1 4.42Å; P279-I281 PolarHBondContact O-N 3.45Å
280	C	48.7	Very low	55.3	Low	54 Å²	54	83 Å²	83	37%	0.365	44%	0.442	S	S	.	.			trans	-72.7	38.6	177.9	-71.3	0	0	0	0	113.4	L278 S282 V332	L278-C280 PolarHBondContact O-N 2.95Å; C280-S282 PolarHBondContact O-N 3.14Å; C280-V332 HydrophobicContact CB-CG1 4.42Å
281	I	39.9	Very low	52.9	Low	108 Å²	108	82.8 Å²	82.8	55%	0.554	44%	0.441	S	S	*	.			trans	-70.2	100.5	177.7	-67.2	165.1	0	0	0	108.8	P279 K283	P279-I281 HydrophobicContact CB-CD1 3.88Å; P279-I281 HydrophobicContact CB-CG1 4.04Å; P279-I281 HydrophobicContact CG-CD1 3.89Å; P279-I281 HydrophobicContact CG-CG1 4.42Å; P279-I281 PolarHBondContact O-N 3.45Å; I281-K283 HydrophobicContact CG2-CB 3.87Å; I281-K283 HydrophobicContact CG2-CD 3.99Å; I281-K283 HydrophobicContact CG2-CG 3.62Å; I281-K283 PolarHBondContact O-N 2.76Å
282	S	32.8	Very low	50.4	Low	72 Å²	72	87.2 Å²	87.2	50%	0.503	46%	0.462	S	S	.	.			trans	-72.3	61.7	166.5	44	0	0	0	0	110.9	C280 S284 S285	C280-S282 PolarHBondContact O-N 3.14Å; S282-S284 PolarHBondContact O-N 3.49Å; S282-S285 PolarHBondContact O-N 3.44Å; S282-S285 VanDerWaalsContact O-N 3.16Å
283	K	32.4	Very low	48.3	Very low	192 Å²	192	90.9 Å²	90.9	84%	0.835	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	13.4	173.2	-110.6	178.4	-179.2	-173.4	0	114.4	I281	I281-K283 HydrophobicContact CG2-CB 3.87Å; I281-K283 HydrophobicContact CG2-CD 3.99Å; I281-K283 HydrophobicContact CG2-CG 3.62Å; I281-K283 PolarHBondContact O-N 2.76Å
284	S	30.9	Very low	45.9	Very low	45 Å²	45	94.3 Å²	94.3	32%	0.315	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	2.1	177.2	58.8	0	0	0	0	113.7	S282 H286 S287 I288	S282-S284 PolarHBondContact O-N 3.49Å; S284-H286 PolarHBondContact O-N 2.98Å; S284-S287 VanDerWaalsContact CA-OG 3.23Å; S284-S287 WeakPolarHBondContact CA-OG 3.43Å; S284-S287 WeakPolarHBondContact CB-OG 3.39Å; S284-S287 PolarHBondContact O-N 2.88Å; S284-S287 VanDerWaalsContact O-N 3.07Å; S284-S287 PolarHBondContact O-OG 3.41Å; S284-I288 WeakPolarHBondContact O-CG1 3.36Å; S284-I288 PolarHBondContact O-N 3.34Å
285	S	33.1	Very low	43.5	Very low	70 Å²	70	97.9 Å²	97.9	49%	0.49	52%	0.515	S	S	.	.	H	α-helix	trans	-54	-52.1	174.3	50.1	0	0	0	0	111.3	S282 S287	S282-S285 PolarHBondContact O-N 3.44Å; S282-S285 VanDerWaalsContact O-N 3.16Å; S285-S287 VanDerWaalsContact C-N 3.27Å; S285-S287 PolarHBondContact O-N 3.24Å
286	H	34.6	Very low	41	Very low	155 Å²	155	100.4 Å²	100.4	72%	0.718	54%	0.541	S	S	*	.	H	α-helix	trans	-66.8	-19.4	174.5	-74.7	-65.6	0	0	0	114.9	S284	S284-H286 PolarHBondContact O-N 2.98Å
287	S	34.1	Very low	38.9	Very low	51 Å²	51	105.7 Å²	105.7	36%	0.357	58%	0.578	S	S	.	*	H	α-helix	trans	-91.4	-30.8	179.1	69.8	0	0	0	0	113.3	S284 S285 H290 I291	S284-S287 VanDerWaalsContact CA-OG 3.23Å; S284-S287 WeakPolarHBondContact CA-OG 3.43Å; S284-S287 WeakPolarHBondContact CB-OG 3.39Å; S284-S287 PolarHBondContact O-N 2.88Å; S284-S287 VanDerWaalsContact O-N 3.07Å; S284-S287 PolarHBondContact O-OG 3.41Å; S285-S287 VanDerWaalsContact C-N 3.27Å; S285-S287 PolarHBondContact O-N 3.24Å; S287-H290 PolarHBondContact O-N 3.48Å; S287-I291 WeakPolarHBondContact O-CD1 3.35Å; S287-I291 VanDerWaalsContact O-CG1 3.24Å; S287-I291 WeakPolarHBondContact O-CG1 3.45Å; S287-I291 PolarHBondContact O-N 3.01Å; S287-I291 VanDerWaalsContact O-N 3.09Å
288	I	35.3	Very low	36.9	Very low	81 Å²	81	105.9 Å²	105.9	42%	0.415	60%	0.596	S	S	.	*	H	α-helix	trans	-73.2	-39.4	-176.1	-69.8	167.6	0	0	0	111	S284 H290 I291 M292	S284-I288 WeakPolarHBondContact O-CG1 3.36Å; S284-I288 PolarHBondContact O-N 3.34Å; I288-H290 PolarHBondContact O-N 3.05Å; I288-I291 PolarHBondContact O-N 2.91Å; I288-I291 VanDerWaalsContact O-N 3.09Å; I288-M292 HydrophobicContact CG2-CE 4.22Å; I288-M292 HydrophobicContact CG2-CG 4.49Å; I288-M292 HydrophobicContact CG2-SD 4.18Å; I288-M292 PolarHBondContact O-N 3.31Å
289	Q	33.4	Very low	35.1	Very low	148 Å²	148	111.9 Å²	111.9	69%	0.692	62%	0.619	S	S	*	*	H	α-helix	trans	-59.5	-33	171.1	-73.4	176.7	-35.8	0	0	112.5	S293	Q289-S293 PolarHBondContact O-OG 3.46Å
290	H	33.8	Very low	33.8	Very low	135 Å²	135	112.5 Å²	112.5	63%	0.625	63%	0.632	S	S	*	*	H	α-helix	trans	-81.7	-14.7	175.3	-95.6	-66.1	0	0	0	115.2	S287 I288 S293 N294	S287-H290 PolarHBondContact O-N 3.48Å; I288-H290 PolarHBondContact O-N 3.05Å; H290-S293 WeakPolarHBondContact CA-OG 3.3Å; H290-S293 PolarHBondContact O-OG 3.04Å; H290-N294 PolarHBondContact O-ND2 3.38Å
291	I	35.1	Very low	33	Very low	103 Å²	103	115.9 Å²	115.9	53%	0.528	66%	0.656	S	S	.	*	H	α-helix	trans	-95.8	-34.7	179.6	-73	166.4	0	0	0	111.3	S287 I288 S293	S287-I291 WeakPolarHBondContact O-CD1 3.35Å; S287-I291 VanDerWaalsContact O-CG1 3.24Å; S287-I291 WeakPolarHBondContact O-CG1 3.45Å; S287-I291 PolarHBondContact O-N 3.01Å; S287-I291 VanDerWaalsContact O-N 3.09Å; I288-I291 PolarHBondContact O-N 2.91Å; I288-I291 VanDerWaalsContact O-N 3.09Å; I291-S293 VanDerWaalsContact C-N 3.34Å
292	M	33	Very low	32.4	Very low	158 Å²	158	120.3 Å²	120.3	78%	0.778	67%	0.671	S	S	*	*	H	α-helix	trans	-74.1	-24.4	175.2	-70.9	-176.5	169.2	0	0	113.1	I288 N294	I288-M292 HydrophobicContact CG2-CE 4.22Å; I288-M292 HydrophobicContact CG2-CG 4.49Å; I288-M292 HydrophobicContact CG2-SD 4.18Å; I288-M292 PolarHBondContact O-N 3.31Å; M292-N294 VanDerWaalsContact C-N 3.34Å; M292-N294 PolarHBondContact O-N 2.87Å
293	S	37.8	Very low	32.2	Very low	76 Å²	76	121.8 Å²	121.8	53%	0.531	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.3	-7.4	176.6	44.7	0	0	0	0	115	Q289 H290 I291	Q289-S293 PolarHBondContact O-OG 3.46Å; H290-S293 WeakPolarHBondContact CA-OG 3.3Å; H290-S293 PolarHBondContact O-OG 3.04Å; I291-S293 VanDerWaalsContact C-N 3.34Å
294	N	32.3	Very low	31.9	Very low	124 Å²	124	119.5 Å²	119.5	66%	0.663	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.6	26.6	-169.3	-91.2	-40.9	0	0	0	114.9	H290 M292	H290-N294 PolarHBondContact O-ND2 3.38Å; M292-N294 VanDerWaalsContact C-N 3.34Å; M292-N294 PolarHBondContact O-N 2.87Å
295	K	32.2	Very low	31.8	Very low	178 Å²	178	127.9 Å²	127.9	77%	0.774	70%	0.702	S	S	*	*			trans	-122.1	38	176.3	-89.5	-169.7	170.4	-174.3	0	115.1	S297	K295-S297 PolarHBondContact O-N 2.75Å; K295-S297 VanDerWaalsContact O-N 3.09Å
296	S	29.4	Very low	31.5	Very low	117 Å²	117	129.3 Å²	129.3	82%	0.818	71%	0.712	S	S	*	*			trans	-81.3	46.6	174.4	50.6	0	0	0	0	114.3
297	S	32	Very low	31.3	Very low	115 Å²	115	131.6 Å²	131.6	80%	0.804	72%	0.719	S	S	*	*			trans	-165.2	140.3	172	62.3	0	0	0	0	113	K295	K295-S297 PolarHBondContact O-N 2.75Å; K295-S297 VanDerWaalsContact O-N 3.09Å
298	G	29.5	Very low	31	Very low	75 Å²	75	135 Å²	135	77%	0.773	73%	0.734	S	S	*	*			trans	121.7	62.8	158	0	0	0	0	0	119.2
299	K	31.1	Very low	30.8	Very low	204 Å²	204	137.9 Å²	137.9	89%	0.887	75%	0.75	S	S	*	*			trans	41.8	114.6	144.5	-63.8	-179.6	177.9	178.7	0	121.1
300	A	29.1	Very low	30.7	Very low	102 Å²	102	135.2 Å²	135.2	84%	0.843	75%	0.748	S	S	*	*				74	100.7	125.5	0	0	0	0	0	122
301	S	31.2	Very low	30.6	Very low	125 Å²	125	135.5 Å²	135.5	87%	0.874	75%	0.752	S	S	*	*				-153.1	160.5	106.3	59.6	0	0	0	0	110.7
302	K	27	Very low	30.5	Very low	201 Å²	201	138 Å²	138	87%	0.874	77%	0.766	S	S	*	*			trans	-117.9	169.2	-173.6	-103.2	-176.7	178.9	-178.1	0	108.9
303	P	28.6	Very low	30.4	Very low	103 Å²	103	136.1 Å²	136.1	67%	0.669	76%	0.764	S	S	*	*			cis	-145.9	172.7	31.9	43.6	-24.6	0	0	0	118.9
304	L	26.2	Very low	30	Very low	144 Å²	144	139.4 Å²	139.4	75%	0.754	78%	0.776	S	S	*	*			trans	52.5	129.2	150.4	-66.5	158.6	0	0	0	119.3
305	Y	29.5	Very low	29.9	Very low	221 Å²	221	141.3 Å²	141.3	87%	0.867	79%	0.786	S	S	*	*			cis	-125.3	152.5	11.1	-108.9	-99	0	0	0	111.7
306	S	26.3	Very low	29.9	Very low	100 Å²	100	139.5 Å²	139.5	70%	0.699	78%	0.78	S	S	*	*			trans	-161.2	129	177.4	62.7	0	0	0	0	114.3
307	K	29.7	Very low	30	Very low	203 Å²	203	139 Å²	139	88%	0.883	77%	0.772	S	S	*	*			trans	-170.4	115.3	156.8	-104.4	-178.9	175.4	-174.4	0	106.4
308	N	28	Very low	30	Very low	123 Å²	123	138.3 Å²	138.3	66%	0.658	76%	0.76	S	S	*	*			cis	62.7	124.9	24.4	-62	74.5	0	0	0	112.8
309	N	30.8	Very low	30.2	Very low	141 Å²	141	138 Å²	138	75%	0.754	75%	0.745	S	S	*	*			cis	-138.6	-172.9	-4.7	-71.4	-36.9	0	0	0	107
310	S	32.2	Very low	30.3	Very low	92 Å²	92	134.1 Å²	134.1	64%	0.643	73%	0.73	S	S	*	*			cis	179.9	149.1	33.3	48.5	0	0	0	0	112.6
311	I	32.3	Very low	30.6	Very low	140 Å²	140	133.7 Å²	133.7	72%	0.718	71%	0.714	S	S	*	*			trans	67.9	136.2	151.1	-62.9	158.8	0	0	0	113.9
312	D	32	Very low	30.8	Very low	155 Å²	155	130.7 Å²	130.7	83%	0.829	69%	0.693	S	S	*	*			cis	-108.2	179	18.9	-79.3	-70.1	0	0	0	115.8
313	T	31.7	Very low	31.4	Very low	119 Å²	119	126 Å²	126	73%	0.73	68%	0.677	S	S	*	*			trans	-121.1	126.1	178.6	51	0	0	0	0	111.8
314	D	28.4	Very low	32.3	Very low	146 Å²	146	124.6 Å²	124.6	78%	0.781	67%	0.667	S	S	*	*				-173.7	-176.1	127.7	-86.3	-22.1	0	0	0	108.9	Q316	D314-Q316 VanDerWaalsContact C-N 3.35Å; D314-Q316 PolarHBondContact O-N 2.92Å
315	D	31.7	Very low	33.6	Very low	164 Å²	164	122.8 Å²	122.8	88%	0.877	66%	0.655	S	S	*	*	S	Bend	trans	60.8	3.7	174.9	-66.8	-9.4	0	0	0	120.8
316	Q	32	Very low	34.5	Very low	139 Å²	139	115 Å²	115	65%	0.65	63%	0.626	S	S	*	*			trans	-96.4	16.4	176.6	-69.7	-160.9	-2.9	0	0	116.6	D314 S319	D314-Q316 VanDerWaalsContact C-N 3.35Å; D314-Q316 PolarHBondContact O-N 2.92Å; Q316-S319 PolarHBondContact O-OG 3.43Å
317	T	31.8	Very low	35.9	Very low	107 Å²	107	112.9 Å²	112.9	66%	0.656	61%	0.611	S	S	*	*	H	α-helix	trans	-72.3	-30.8	-175.1	41.2	0	0	0	0	115.1	N321	T317-N321 PolarHBondContact O-ND2 2.97Å
318	D	31.5	Very low	37.2	Very low	101 Å²	101	106.4 Å²	106.4	54%	0.54	59%	0.589	S	S	.	*	H	α-helix	trans	-89.3	-28.4	-173	-70.4	-30.3	0	0	0	114.2	H320 N321	D318-H320 VanDerWaalsContact C-N 3.28Å; D318-H320 PolarHBondContact O-N 3.3Å; D318-N321 PolarHBondContact O-N 3.43Å
319	S	33.3	Very low	38.5	Very low	67 Å²	67	102.6 Å²	102.6	47%	0.469	57%	0.568	S	S	.	*	H	α-helix	trans	-70	-22.9	176.2	60.2	0	0	0	0	113.4	Q316 S322	Q316-S319 PolarHBondContact O-OG 3.43Å; S319-S322 PolarHBondContact O-OG 3.26Å; S319-S322 VanDerWaalsContact O-OG 3.11Å
320	H	32.6	Very low	40	Very low	123 Å²	123	100.5 Å²	100.5	57%	0.569	56%	0.557	S	S	*	*	H	α-helix	trans	-80.7	-30.5	171.2	-93.8	-61.8	0	0	0	113.1	D318 T324	D318-H320 VanDerWaalsContact C-N 3.28Å; D318-H320 PolarHBondContact O-N 3.3Å; H320-T324 WeakPolarHBondContact O-CG2 3.45Å; H320-T324 PolarHBondContact O-N 3.25Å
321	N	36.2	Very low	41.5	Very low	93 Å²	93	101.1 Å²	101.1	50%	0.497	55%	0.552	S	S	.	*	H	α-helix	trans	-65.2	-43	-178.8	-80.5	-35.2	0	0	0	112.3	T317 D318 N323 T324 Q325	T317-N321 PolarHBondContact O-ND2 2.97Å; D318-N321 PolarHBondContact O-N 3.43Å; N321-N323 PolarHBondContact O-N 2.99Å; N321-T324 PolarHBondContact O-N 3.28Å; N321-T324 VanDerWaalsContact O-N 3.14Å; N321-T324 PolarHBondContact O-OG1 2.86Å; N321-Q325 PolarHBondContact O-N 3.01Å
322	S	36.2	Very low	43.1	Very low	63 Å²	63	96.2 Å²	96.2	44%	0.441	53%	0.528	S	S	.	.	H	α-helix	trans	-55.5	-50.2	177.8	55.2	0	0	0	0	112.6	S319 T324 Q325 E326	S319-S322 PolarHBondContact O-OG 3.26Å; S319-S322 VanDerWaalsContact O-OG 3.11Å; S322-T324 VanDerWaalsContact C-N 3.3Å; S322-T324 PolarHBondContact O-N 3.16Å; S322-Q325 PolarHBondContact O-N 3.38Å; S322-Q325 VanDerWaalsContact O-N 3.08Å; S322-E326 PolarHBondContact O-N 2.98Å
323	N	38.2	Very low	44.6	Very low	101 Å²	101	89.4 Å²	89.4	54%	0.54	49%	0.494	S	S	.	.	H	α-helix	trans	-62.1	-34.9	178	-71.2	-18	0	0	0	112.4	N321 S327	N321-N323 PolarHBondContact O-N 2.99Å; N323-S327 PolarHBondContact O-N 3.44Å
324	T	47.9	Very low	46.3	Very low	75 Å²	75	89.8 Å²	89.8	46%	0.46	49%	0.487	S	S	.	.	H	α-helix	trans	-68.2	-40.5	172.9	65.9	0	0	0	0	112	H320 N321 S322 S327 V328	H320-T324 WeakPolarHBondContact O-CG2 3.45Å; H320-T324 PolarHBondContact O-N 3.25Å; N321-T324 PolarHBondContact O-N 3.28Å; N321-T324 VanDerWaalsContact O-N 3.14Å; N321-T324 PolarHBondContact O-OG1 2.86Å; S322-T324 VanDerWaalsContact C-N 3.3Å; S322-T324 PolarHBondContact O-N 3.16Å; T324-S327 PolarHBondContact O-N 3.19Å; T324-S327 PolarHBondContact O-OG 2.96Å; T324-V328 WeakPolarHBondContact O-CG2 3.49Å; T324-V328 PolarHBondContact O-N 3.02Å
325	Q	53.1	Low	48.5	Very low	106 Å²	106	87.5 Å²	87.5	50%	0.495	47%	0.47	S	S	.	.	H	α-helix	trans	-64.7	-47.1	179.5	-174.9	59.6	36	0	0	111.6	N321 S322 S327 V328 D329	N321-Q325 PolarHBondContact O-N 3.01Å; S322-Q325 PolarHBondContact O-N 3.38Å; S322-Q325 VanDerWaalsContact O-N 3.08Å; Q325-S327 VanDerWaalsContact C-N 3.26Å; Q325-S327 PolarHBondContact O-N 2.92Å; Q325-V328 PolarHBondContact O-N 3.35Å; Q325-V328 VanDerWaalsContact O-N 3.08Å; Q325-D329 PolarHBondContact NE2-OD2 3.41Å; Q325-D329 PolarHBondContact O-N 2.84Å
326	E	48.5	Very low	50.3	Low	57 Å²	57	80.4 Å²	80.4	27%	0.266	43%	0.432	S	S	.	.	H	α-helix	trans	-56.9	-40.7	174.5	-69.5	-162	161.1	0	0	111.9	P183 S322 V328 D329 L330	P183-E326 VanDerWaalsContact CG-OE1 3.26Å; P183-E326 WeakPolarHBondContact CG-OE1 3.48Å; S322-E326 PolarHBondContact O-N 2.98Å; E326-V328 PolarHBondContact O-N 2.87Å; E326-D329 PolarHBondContact O-N 3.41Å; E326-L330 WeakPolarHBondContact O-CB 3.31Å; E326-L330 PolarHBondContact O-N 2.98Å
327	S	55.3	Low	52.3	Low	55 Å²	55	79.5 Å²	79.5	39%	0.385	42%	0.423	S	S	.	.	H	α-helix	trans	-65.2	-38.2	176.8	83.4	0	0	0	0	112.7	N323 T324 Q325 I331	N323-S327 PolarHBondContact O-N 3.44Å; T324-S327 PolarHBondContact O-N 3.19Å; T324-S327 PolarHBondContact O-OG 2.96Å; Q325-S327 VanDerWaalsContact C-N 3.26Å; Q325-S327 PolarHBondContact O-N 2.92Å; S327-I331 WeakPolarHBondContact O-CB 3.44Å; S327-I331 WeakPolarHBondContact O-CD1 3.45Å; S327-I331 WeakPolarHBondContact O-CG1 3.35Å; S327-I331 PolarHBondContact O-N 3.36Å
328	V	58	Low	54.5	Low	67 Å²	67	81.6 Å²	81.6	41%	0.406	42%	0.419	S	S	.	.	H	α-helix	trans	-67.6	-45.3	177.4	167.5	0	0	0	0	110.6	T324 Q325 E326 I331 V332	T324-V328 WeakPolarHBondContact O-CG2 3.49Å; T324-V328 PolarHBondContact O-N 3.02Å; Q325-V328 PolarHBondContact O-N 3.35Å; Q325-V328 VanDerWaalsContact O-N 3.08Å; E326-V328 PolarHBondContact O-N 2.87Å; V328-I331 PolarHBondContact O-N 3.36Å; V328-V332 WeakPolarHBondContact O-CG2 3.4Å; V328-V332 PolarHBondContact O-N 3.35Å
329	D	56.1	Low	56.7	Low	43 Å²	43	77.4 Å²	77.4	23%	0.23	40%	0.396	C	S	.	.	H	α-helix	trans	-63.1	-43.2	177.6	-88.7	-56.8	0	0	0	111.9	Y189 Q325 E326 I331 V332 A333	Y189-D329 HydrophobicContact CD2-CB 4.37Å; Y189-D329 HydrophobicContact CE1-CB 3.93Å; Y189-D329 HydrophobicContact CE2-CB 3.78Å; Y189-D329 WeakPolarHBondContact CE2-O 3.45Å; Y189-D329 VanDerWaalsContact CZ-OD1 3.24Å; Y189-D329 PolarHBondContact OH-OD1 2.81Å; Q325-D329 PolarHBondContact NE2-OD2 3.41Å; Q325-D329 PolarHBondContact O-N 2.84Å; E326-D329 PolarHBondContact O-N 3.41Å; D329-I331 PolarHBondContact O-N 2.88Å; D329-V332 PolarHBondContact O-N 3.43Å; D329-A333 PolarHBondContact O-N 2.84Å
330	L	61.4	Low	58.8	Low	98 Å²	98	74.7 Å²	74.7	51%	0.513	38%	0.377	S	S	.	.	H	α-helix	trans	-58.4	-44.7	171.1	-84.3	163.6	0	0	0	112.3	E326 V332 A333 Q334	E326-L330 WeakPolarHBondContact O-CB 3.31Å; E326-L330 PolarHBondContact O-N 2.98Å; L330-V332 VanDerWaalsContact C-N 3.35Å; L330-V332 PolarHBondContact O-N 3.44Å; L330-A333 PolarHBondContact O-N 3.41Å; L330-Q334 WeakPolarHBondContact O-CB 3.22Å; L330-Q334 VanDerWaalsContact O-CG 3.29Å; L330-Q334 WeakPolarHBondContact O-CG 3.27Å; L330-Q334 PolarHBondContact O-N 3.29Å
331	I	63.9	Low	61	Low	104 Å²	104	78 Å²	78	53%	0.533	38%	0.384	S	S	.	.	H	α-helix	trans	-63.5	-39.5	176.4	-72	164.7	0	0	0	111.2	S327 V328 D329 Q334 K335	S327-I331 WeakPolarHBondContact O-CB 3.44Å; S327-I331 WeakPolarHBondContact O-CD1 3.45Å; S327-I331 WeakPolarHBondContact O-CG1 3.35Å; S327-I331 PolarHBondContact O-N 3.36Å; V328-I331 PolarHBondContact O-N 3.36Å; D329-I331 PolarHBondContact O-N 2.88Å; I331-Q334 PolarHBondContact O-N 3.26Å; I331-K335 VanDerWaalsContact O-CB 3.25Å; I331-K335 WeakPolarHBondContact O-CB 3.48Å; I331-K335 PolarHBondContact O-N 3.41Å
332	V	64.9	Low	63.1	Low	38 Å²	38	80.8 Å²	80.8	23%	0.23	39%	0.388	C	S	.	.	H	α-helix	trans	-64.3	-47.3	176	168.8	0	0	0	0	111	C280 V328 D329 L330 Q334 K335 L336	C280-V332 HydrophobicContact CB-CG1 4.42Å; V328-V332 WeakPolarHBondContact O-CG2 3.4Å; V328-V332 PolarHBondContact O-N 3.35Å; D329-V332 PolarHBondContact O-N 3.43Å; L330-V332 VanDerWaalsContact C-N 3.35Å; L330-V332 PolarHBondContact O-N 3.44Å; V332-Q334 PolarHBondContact O-N 3.24Å; V332-K335 PolarHBondContact O-N 3.35Å; V332-L336 WeakPolarHBondContact O-CB 3.45Å; V332-L336 PolarHBondContact O-N 3.27Å
333	A	63.8	Low	65.2	Low	12 Å²	12	77.8 Å²	77.8	10%	0.099	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-40.4	176.6	0	0	0	0	0	112.7	Y189 L196 D329 L330 L336 R337	Y189-A333 HydrophobicContact CD2-CB 4.42Å; Y189-A333 HydrophobicContact CE2-CB 3.86Å; L196-A333 HydrophobicContact CD1-CB 4.35Å; D329-A333 PolarHBondContact O-N 2.84Å; L330-A333 PolarHBondContact O-N 3.41Å; A333-L336 PolarHBondContact O-N 2.85Å; A333-R337 WeakPolarHBondContact O-CB 3.35Å; A333-R337 PolarHBondContact O-N 2.96Å
334	Q	68	Low	67.1	Low	127 Å²	127	75.1 Å²	75.1	59%	0.593	35%	0.351	S	S	*	.	H	α-helix	trans	-62.8	-43.6	173.6	-73.4	-179	21.5	0	0	111.9	L330 I331 V332 R337 R338	L330-Q334 WeakPolarHBondContact O-CB 3.22Å; L330-Q334 VanDerWaalsContact O-CG 3.29Å; L330-Q334 WeakPolarHBondContact O-CG 3.27Å; L330-Q334 PolarHBondContact O-N 3.29Å; I331-Q334 PolarHBondContact O-N 3.26Å; V332-Q334 PolarHBondContact O-N 3.24Å; Q334-R337 PolarHBondContact O-N 3Å; Q334-R338 WeakPolarHBondContact O-CB 3.47Å; Q334-R338 PolarHBondContact O-N 3.49Å
335	K	73.6	Confident	68.6	Low	98 Å²	98	73 Å²	73	43%	0.426	34%	0.344	S	S	.	.	H	α-helix	trans	-64.8	-41.9	178	-170.2	175.5	-178.8	-179.3	0	111.7	I331 V332 R338 N339	I331-K335 VanDerWaalsContact O-CB 3.25Å; I331-K335 WeakPolarHBondContact O-CB 3.48Å; I331-K335 PolarHBondContact O-N 3.41Å; V332-K335 PolarHBondContact O-N 3.35Å; K335-R338 PolarHBondContact O-N 3.11Å; K335-N339 PolarHBondContact O-N 2.92Å; K335-N339 PolarHBondContact O-OD1 3.41Å
336	L	71.2	Confident	70	Confident	15 Å²	15	69.3 Å²	69.3	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-48.3	174.4	-177.2	67.3	0	0	0	111.3	L196 V332 A333 R338 N339 L340	L196-L336 HydrophobicContact CB-CD2 3.86Å; L196-L336 HydrophobicContact CD1-CD2 4.3Å; V332-L336 WeakPolarHBondContact O-CB 3.45Å; V332-L336 PolarHBondContact O-N 3.27Å; A333-L336 PolarHBondContact O-N 2.85Å; L336-R338 PolarHBondContact O-N 3.12Å; L336-N339 PolarHBondContact O-N 3.13Å; L336-N339 VanDerWaalsContact O-N 3.13Å; L336-L340 HydrophobicContact CD1-CD1 3.74Å; L336-L340 HydrophobicContact CG-CD1 4.03Å; L336-L340 WeakPolarHBondContact O-CD1 3.34Å; L336-L340 PolarHBondContact O-N 3.32Å
337	R	73.8	Confident	71.5	Confident	119 Å²	119	66.6 Å²	66.6	45%	0.449	32%	0.315	S	S	.	.	H	α-helix	trans	-56.2	-36.1	174.4	-175.5	-177.4	-75.3	-173.3	-3.6	112	N192 L196 A333 Q334 R341	N192-R337 PolarHBondContact OD1-NH2 3.34Å; L196-R337 HydrophobicContact CD1-CB 4.47Å; L196-R337 HydrophobicContact CD2-CB 3.97Å; L196-R337 HydrophobicContact CD2-CG 4.33Å; A333-R337 WeakPolarHBondContact O-CB 3.35Å; A333-R337 PolarHBondContact O-N 2.96Å; Q334-R337 PolarHBondContact O-N 3Å; R337-R341 WeakPolarHBondContact O-CG 3.42Å; R337-R341 PolarHBondContact O-N 3.21Å
338	R	76.4	Confident	72.4	Confident	151 Å²	151	66.9 Å²	66.9	57%	0.57	31%	0.308	S	S	*	.	H	α-helix	trans	-70.3	-46.9	174.5	-165.6	176.9	75.7	174.5	5.8	112.1	Q334 K335 L336 L340 R341 W342	Q334-R338 WeakPolarHBondContact O-CB 3.47Å; Q334-R338 PolarHBondContact O-N 3.49Å; K335-R338 PolarHBondContact O-N 3.11Å; L336-R338 PolarHBondContact O-N 3.12Å; R338-L340 PolarHBondContact O-N 3.2Å; R338-R341 WeakPolarHBondContact O-CB 3.49Å; R338-R341 PolarHBondContact O-N 2.92Å; R338-W342 VanDerWaalsContact O-CD1 3.25Å; R338-W342 PolarHBondContact O-N 3.17Å
339	N	78.8	Confident	73.5	Confident	13 Å²	13	67.8 Å²	67.8	7%	0.07	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-41.7	179.7	-76.1	12.8	0	0	0	112.4	K335 L336 R341 W342 S343	K335-N339 PolarHBondContact O-N 2.92Å; K335-N339 PolarHBondContact O-OD1 3.41Å; L336-N339 PolarHBondContact O-N 3.13Å; L336-N339 VanDerWaalsContact O-N 3.13Å; N339-R341 VanDerWaalsContact C-N 3.33Å; N339-R341 PolarHBondContact O-N 3.38Å; N339-W342 PolarHBondContact O-N 3.41Å; N339-S343 PolarHBondContact O-N 3.26Å
340	L	76.7	Confident	74.7	Confident	11 Å²	11	65.8 Å²	65.8	6%	0.058	30%	0.299	C	S	.	.	H	α-helix	trans	-59	-42.3	174.4	-94	71.7	0	0	0	111.8	L196 R199 Q200 I203 L336 R338 W342 S343 H344	L196-L340 HydrophobicContact CD2-CD2 4.39Å; R199-L340 HydrophobicContact CB-CD2 3.82Å; Q200-L340 HydrophobicContact CB-CD1 4.41Å; Q200-L340 HydrophobicContact CB-CD2 4.44Å; Q200-L340 HydrophobicContact CG-CD1 4.48Å; I203-L340 HydrophobicContact CD1-CB 4.39Å; I203-L340 HydrophobicContact CD1-CD2 4.11Å; I203-L340 HydrophobicContact CD1-CG 4.09Å; L336-L340 HydrophobicContact CD1-CD1 3.74Å; L336-L340 HydrophobicContact CG-CD1 4.03Å; L336-L340 WeakPolarHBondContact O-CD1 3.34Å; L336-L340 PolarHBondContact O-N 3.32Å; R338-L340 PolarHBondContact O-N 3.2Å; L340-W342 PolarHBondContact O-N 3.13Å; L340-S343 PolarHBondContact O-N 3.44Å; L340-H344 VanDerWaalsContact O-CB 3.22Å; L340-H344 WeakPolarHBondContact O-CB 3.32Å; L340-H344 PolarHBondContact O-N 3.48Å
341	R	78.6	Confident	75.4	Confident	193 Å²	193	62.1 Å²	62.1	73%	0.728	28%	0.282	S	S	*	.	H	α-helix	trans	-60.7	-42.4	176.1	-75.9	179.4	174.7	-173.5	-0.9	112.5	R337 R338 N339 G345	R337-R341 WeakPolarHBondContact O-CG 3.42Å; R337-R341 PolarHBondContact O-N 3.21Å; R338-R341 WeakPolarHBondContact O-CB 3.49Å; R338-R341 PolarHBondContact O-N 2.92Å; N339-R341 VanDerWaalsContact C-N 3.33Å; N339-R341 PolarHBondContact O-N 3.38Å; R341-G345 PolarHBondContact O-N 3.13Å
342	W	80.4	Confident	76.1	Confident	151 Å²	151	61.4 Å²	61.4	57%	0.572	28%	0.278	S	S	*	.	H	α-helix	trans	-64.2	-48	175.7	-77	106	0	0	0	112.2	F275 R338 N339 L340 H344 G345 L346	F275-W342 HydrophobicContact CD1-CB 4.26Å; F275-W342 HydrophobicContact CG-CB 4.39Å; R338-W342 VanDerWaalsContact O-CD1 3.25Å; R338-W342 PolarHBondContact O-N 3.17Å; N339-W342 PolarHBondContact O-N 3.41Å; L340-W342 PolarHBondContact O-N 3.13Å; W342-H344 VanDerWaalsContact C-N 3.31Å; W342-H344 PolarHBondContact O-N 3.25Å; W342-G345 PolarHBondContact O-N 3.16Å; W342-L346 WeakPolarHBondContact O-CB 3.48Å; W342-L346 WeakPolarHBondContact O-CG 3.31Å; W342-L346 PolarHBondContact O-N 3.06Å
343	S	81.5	Confident	76.8	Confident	0 Å²	0	61 Å²	61	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-55.5	-45.9	176.5	177.8	0	0	0	0	112.3	S272 N339 L340 L346 S347	S272-S343 PolarHBondContact O-OG 2.95Å; S272-S343 VanDerWaalsContact O-OG 3.09Å; S272-S343 PolarHBondContact OG-O 3.48Å; N339-S343 PolarHBondContact O-N 3.26Å; L340-S343 PolarHBondContact O-N 3.44Å; S343-L346 PolarHBondContact O-N 2.98Å; S343-S347 PolarHBondContact O-N 3.46Å; S343-S347 PolarHBondContact O-OG 3.31Å
344	H	76.8	Confident	77.5	Confident	45 Å²	45	62.3 Å²	62.3	21%	0.208	28%	0.278	C	S	.	.	H	α-helix	trans	-66.2	-41.9	-179.2	-162.8	-50.6	0	0	0	111.8	L340 W342 S347 Y348 F437	L340-H344 VanDerWaalsContact O-CB 3.22Å; L340-H344 WeakPolarHBondContact O-CB 3.32Å; L340-H344 PolarHBondContact O-N 3.48Å; W342-H344 VanDerWaalsContact C-N 3.31Å; W342-H344 PolarHBondContact O-N 3.25Å; H344-S347 WeakPolarHBondContact CA-OG 3.49Å; H344-S347 PolarHBondContact O-N 3.25Å; H344-S347 PolarHBondContact O-OG 3.06Å; H344-Y348 AromaticContact CE1-CE2 3.47Å; H344-Y348 VanDerWaalsContact CE1-CE2 3.47Å; H344-Y348 WeakPolarHBondContact CE1-CE2 3.4Å; H344-Y348 AromaticContact CE1-CZ 3.74Å; H344-Y348 AromaticContact ND1-CD2 3.76Å; H344-Y348 AromaticContact ND1-CE2 3.21Å; H344-Y348 WeakPolarHBondContact ND1-CE2 3.4Å; H344-Y348 AromaticContact ND1-CZ 3.91Å; H344-Y348 VanDerWaalsContact O-CD2 3.23Å; H344-Y348 WeakPolarHBondContact O-CD2 3.38Å; H344-Y348 PolarHBondContact O-N 2.9Å; H344-F437 AromaticContact CD2-CZ 3.97Å; H344-F437 AromaticContact CE1-CD1 3.94Å; H344-F437 AromaticContact CE1-CE1 3.23Å; H344-F437 WeakPolarHBondContact CE1-CE1 3.23Å; H344-F437 AromaticContact CE1-CE2 3.9Å; H344-F437 AromaticContact CE1-CZ 3.21Å; H344-F437 WeakPolarHBondContact CE1-CZ 3.39Å; H344-F437 AromaticContact ND1-CE1 3.55Å; H344-F437 AromaticContact ND1-CZ 3.71Å; H344-F437 AromaticContact NE2-CE1 3.93Å; H344-F437 AromaticContact NE2-CE2 3.83Å; H344-F437 AromaticContact NE2-CZ 3.4Å; H344-F437 WeakPolarHBondContact NE2-CZ 3.29Å
345	G	79	Confident	77.6	Confident	31 Å²	31	57.6 Å²	57.6	32%	0.32	26%	0.256	S	S	.	.	H	α-helix	trans	-62.4	-45.9	173.6	0	0	0	0	0	112.9	R341 W342 S347 Y348 I349	R341-G345 PolarHBondContact O-N 3.13Å; W342-G345 PolarHBondContact O-N 3.16Å; G345-S347 VanDerWaalsContact C-N 3.34Å; G345-S347 PolarHBondContact O-N 2.91Å; G345-Y348 WeakPolarHBondContact O-CB 3.37Å; G345-Y348 PolarHBondContact O-N 3.39Å; G345-I349 WeakPolarHBondContact O-CG1 3.16Å; G345-I349 PolarHBondContact O-N 2.94Å
346	L	83.1	Confident	77.6	Confident	27 Å²	27	56 Å²	56	14%	0.141	25%	0.252	C	S	.	.	H	α-helix	trans	-63.4	-38.2	176.9	-72.6	163.6	0	0	0	112.2	L268 I271 S272 F275 W342 S343 Y348 I349 A350	L268-L346 HydrophobicContact CD2-CD2 3.7Å; I271-L346 HydrophobicContact CG2-CD1 3.94Å; S272-L346 WeakPolarHBondContact OG-CB 3.38Å; F275-L346 HydrophobicContact CD2-CD1 3.43Å; F275-L346 VanDerWaalsContact CD2-CD1 3.43Å; F275-L346 HydrophobicContact CE2-CD1 3.63Å; F275-L346 HydrophobicContact CG-CD1 4.42Å; W342-L346 WeakPolarHBondContact O-CB 3.48Å; W342-L346 WeakPolarHBondContact O-CG 3.31Å; W342-L346 PolarHBondContact O-N 3.06Å; S343-L346 PolarHBondContact O-N 2.98Å; L346-Y348 PolarHBondContact O-N 2.72Å; L346-I349 PolarHBondContact O-N 3.49Å; L346-A350 PolarHBondContact O-N 2.86Å
347	S	79.5	Confident	77.7	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.007	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-32.4	176.2	55.5	0	0	0	0	113.1	S272 S343 H344 G345 A350 C351	S272-S347 PolarHBondContact OG-N 3.4Å; S343-S347 PolarHBondContact O-N 3.46Å; S343-S347 PolarHBondContact O-OG 3.31Å; H344-S347 WeakPolarHBondContact CA-OG 3.49Å; H344-S347 PolarHBondContact O-N 3.25Å; H344-S347 PolarHBondContact O-OG 3.06Å; G345-S347 VanDerWaalsContact C-N 3.34Å; G345-S347 PolarHBondContact O-N 2.91Å; S347-A350 PolarHBondContact O-N 3.28Å; S347-C351 PolarHBondContact O-N 3.4Å; S347-C351 VanDerWaalsContact O-N 3.08Å; S347-C351 PolarHBondContact O-SG 3.02Å
348	Y	75.3	Confident	77.4	Confident	61 Å²	61	50.8 Å²	50.8	24%	0.239	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-45	170.3	-78.5	-65.8	0	0	0	111.6	H344 G345 L346 A350 C351 I352 F437	H344-Y348 AromaticContact CE1-CE2 3.47Å; H344-Y348 VanDerWaalsContact CE1-CE2 3.47Å; H344-Y348 WeakPolarHBondContact CE1-CE2 3.4Å; H344-Y348 AromaticContact CE1-CZ 3.74Å; H344-Y348 AromaticContact ND1-CD2 3.76Å; H344-Y348 AromaticContact ND1-CE2 3.21Å; H344-Y348 WeakPolarHBondContact ND1-CE2 3.4Å; H344-Y348 AromaticContact ND1-CZ 3.91Å; H344-Y348 VanDerWaalsContact O-CD2 3.23Å; H344-Y348 WeakPolarHBondContact O-CD2 3.38Å; H344-Y348 PolarHBondContact O-N 2.9Å; G345-Y348 WeakPolarHBondContact O-CB 3.37Å; G345-Y348 PolarHBondContact O-N 3.39Å; L346-Y348 PolarHBondContact O-N 2.72Å; Y348-A350 VanDerWaalsContact C-N 3.31Å; Y348-A350 PolarHBondContact O-N 3.13Å; Y348-C351 PolarHBondContact O-N 3.22Å; Y348-I352 WeakPolarHBondContact O-CG1 3.4Å; Y348-I352 PolarHBondContact O-N 3.44Å; Y348-F437 HydrophobicContact CD1-CD1 4.21Å; Y348-F437 AromaticContact CE1-CD1 3.45Å; Y348-F437 HydrophobicContact CE1-CD1 3.45Å; Y348-F437 VanDerWaalsContact CE1-CD1 3.45Å; Y348-F437 HydrophobicContact CE1-CE1 4.09Å; Y348-F437 HydrophobicContact CE1-CG 4.38Å; Y348-F437 HydrophobicContact CE2-CD1 4.4Å; Y348-F437 HydrophobicContact CE2-CE1 4.34Å; Y348-F437 AromaticContact CZ-CD1 3.57Å; Y348-F437 AromaticContact CZ-CE1 3.94Å; Y348-F437 PolarHBondContact OH-O 2.97Å
349	I	81.2	Confident	76.9	Confident	86 Å²	86	46.2 Å²	46.2	44%	0.441	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-40.4	-179.3	-59.7	163.5	0	0	0	110.2	L268 G345 L346 C351 I352 L353	L268-I349 HydrophobicContact CD1-CG2 3.9Å; G345-I349 WeakPolarHBondContact O-CG1 3.16Å; G345-I349 PolarHBondContact O-N 2.94Å; L346-I349 PolarHBondContact O-N 3.49Å; I349-C351 PolarHBondContact O-N 2.96Å; I349-I352 PolarHBondContact O-N 2.82Å; I349-L353 HydrophobicContact CG2-CD1 4.08Å; I349-L353 WeakPolarHBondContact O-CG 3.3Å; I349-L353 PolarHBondContact O-N 3.18Å
350	A	81.5	Confident	76.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.7	-43.6	173.2	0	0	0	0	0	112.9	S265 L268 L269 L346 S347 Y348 L353 F354	S265-A350 PolarHBondContact OG-O 2.81Å; L268-A350 HydrophobicContact CB-CB 3.84Å; L269-A350 HydrophobicContact CD2-CB 3.83Å; L269-A350 HydrophobicContact CG-CB 3.72Å; L346-A350 PolarHBondContact O-N 2.86Å; S347-A350 PolarHBondContact O-N 3.28Å; Y348-A350 VanDerWaalsContact C-N 3.31Å; Y348-A350 PolarHBondContact O-N 3.13Å; A350-L353 PolarHBondContact O-N 3.42Å; A350-F354 WeakPolarHBondContact O-CB 3.46Å; A350-F354 PolarHBondContact O-N 3.01Å
351	C	76.2	Confident	75.2	Confident	22 Å²	22	51.1 Å²	51.1	15%	0.149	24%	0.244	C	C	.	.	H	α-helix	trans	-65.9	-36.7	176.1	-68.9	0	0	0	0	112.8	S347 Y348 I349 F354 I355	S347-C351 PolarHBondContact O-N 3.4Å; S347-C351 VanDerWaalsContact O-N 3.08Å; S347-C351 PolarHBondContact O-SG 3.02Å; Y348-C351 PolarHBondContact O-N 3.22Å; I349-C351 PolarHBondContact O-N 2.96Å; C351-F354 WeakPolarHBondContact O-CB 3.35Å; C351-F354 PolarHBondContact O-N 3.44Å; C351-I355 WeakPolarHBondContact O-CG1 3.34Å; C351-I355 PolarHBondContact O-N 3.08Å
352	I	76.8	Confident	73.9	Confident	89 Å²	89	45.1 Å²	45.1	46%	0.456	23%	0.232	S	C	.	.	H	α-helix	trans	-64.5	-44	174.8	-68.1	163.8	0	0	0	110.4	Y348 I349 F354 I355 L356	Y348-I352 WeakPolarHBondContact O-CG1 3.4Å; Y348-I352 PolarHBondContact O-N 3.44Å; I349-I352 PolarHBondContact O-N 2.82Å; I352-F354 VanDerWaalsContact C-N 3.31Å; I352-F354 PolarHBondContact O-N 3.29Å; I352-I355 PolarHBondContact O-N 3.46Å; I352-L356 HydrophobicContact CG2-CD1 4.23Å; I352-L356 WeakPolarHBondContact O-CG 3.46Å; I352-L356 PolarHBondContact O-N 3.48Å
353	L	80.9	Confident	72.4	Confident	30 Å²	30	41 Å²	41	16%	0.157	22%	0.218	C	C	.	.	H	α-helix	trans	-65.4	-33.9	175.2	-70.6	162.8	0	0	0	112.6	L261 L268 I349 A350 L356 A357	L261-L353 HydrophobicContact CD2-CD2 3.73Å; L268-L353 HydrophobicContact CD1-CD1 3.29Å; I349-L353 HydrophobicContact CG2-CD1 4.08Å; I349-L353 WeakPolarHBondContact O-CG 3.3Å; I349-L353 PolarHBondContact O-N 3.18Å; A350-L353 PolarHBondContact O-N 3.42Å; L353-L356 HydrophobicContact CD2-CD1 4.44Å; L353-L356 PolarHBondContact O-N 2.88Å; L353-A357 WeakPolarHBondContact O-CB 3.49Å; L353-A357 PolarHBondContact O-N 3.49Å
354	F	77.6	Confident	71	Confident	39 Å²	39	45.1 Å²	45.1	17%	0.171	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-39	173	-176.8	-95	0	0	0	112.5	V213 C214 L217 L262 A350 C351 I352 A357 N358	V213-F354 HydrophobicContact CG1-CE2 4.19Å; V213-F354 HydrophobicContact CG1-CZ 3.97Å; C214-F354 WeakPolarHBondContact SG-CD2 3.3Å; L217-F354 HydrophobicContact CD1-CE2 3.54Å; L217-F354 HydrophobicContact CD1-CZ 3.7Å; L262-F354 HydrophobicContact CD2-CD2 4.26Å; L262-F354 HydrophobicContact CD2-CE2 4.41Å; A350-F354 WeakPolarHBondContact O-CB 3.46Å; A350-F354 PolarHBondContact O-N 3.01Å; C351-F354 WeakPolarHBondContact O-CB 3.35Å; C351-F354 PolarHBondContact O-N 3.44Å; I352-F354 VanDerWaalsContact C-N 3.31Å; I352-F354 PolarHBondContact O-N 3.29Å; F354-A357 PolarHBondContact O-N 3.31Å; F354-N358 PolarHBondContact O-N 3.02Å; F354-N358 PolarHBondContact O-ND2 3.47Å
355	I	71.5	Confident	69.6	Low	28 Å²	28	46.2 Å²	46.2	14%	0.144	25%	0.251	C	S	.	.	H	α-helix	trans	-65	-47.6	172.5	-68.6	168.4	0	0	0	110.1	C351 I352 A357 N358 L359 L427 I434	C351-I355 WeakPolarHBondContact O-CG1 3.34Å; C351-I355 PolarHBondContact O-N 3.08Å; I352-I355 PolarHBondContact O-N 3.46Å; I355-A357 VanDerWaalsContact C-N 3.26Å; I355-A357 PolarHBondContact O-N 3.36Å; I355-N358 CarbonylContact O-C 3.52Å; I355-N358 WeakPolarHBondContact O-CA 3.44Å; I355-N358 PolarHBondContact O-N 2.92Å; I355-L359 HydrophobicContact CG2-CD1 3.98Å; I355-L359 VanDerWaalsContact O-CD1 3.27Å; I355-L359 WeakPolarHBondContact O-CD1 3.37Å; I355-L359 PolarHBondContact O-N 3.21Å; I355-L427 HydrophobicContact CG2-CD1 4.19Å; I355-I434 HydrophobicContact CD1-CD1 3.46Å; I355-I434 VanDerWaalsContact CD1-CD1 3.46Å
356	L	73.8	Confident	68.1	Low	65 Å²	65	50.5 Å²	50.5	34%	0.34	26%	0.263	S	S	.	.	H	α-helix	trans	-59.1	-36	176.8	-69.4	170.2	0	0	0	112.2	L261 I352 L353 N358 L359 W361	L261-L356 HydrophobicContact CD1-CB 4.19Å; I352-L356 HydrophobicContact CG2-CD1 4.23Å; I352-L356 WeakPolarHBondContact O-CG 3.46Å; I352-L356 PolarHBondContact O-N 3.48Å; L353-L356 HydrophobicContact CD2-CD1 4.44Å; L353-L356 PolarHBondContact O-N 2.88Å; L356-N358 PolarHBondContact O-N 3.18Å; L356-L359 PolarHBondContact O-N 3.37Å; L356-W361 PolarHBondContact O-NE1 2.97Å
357	A	73.1	Confident	66.3	Low	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.6	173.8	0	0	0	0	0	114.2	R258 L261 L262 L353 F354 I355	R258-A357 WeakPolarHBondContact CD-O 3.32Å; R258-A357 WeakPolarHBondContact CG-O 3.4Å; R258-A357 PolarHBondContact NE-O 3.39Å; L261-A357 HydrophobicContact CB-CB 3.78Å; L262-A357 HydrophobicContact CD2-CB 3.92Å; L262-A357 HydrophobicContact CG-CB 3.91Å; L353-A357 WeakPolarHBondContact O-CB 3.49Å; L353-A357 PolarHBondContact O-N 3.49Å; F354-A357 PolarHBondContact O-N 3.31Å; I355-A357 VanDerWaalsContact C-N 3.26Å; I355-A357 PolarHBondContact O-N 3.36Å
358	N	67.3	Low	64.7	Low	23 Å²	23	59.6 Å²	59.6	12%	0.123	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	8	-179.3	-68.6	-53.7	0	0	0	113.6	R258 F354 I355 L356	R258-N358 PolarHBondContact NH2-OD1 3.39Å; F354-N358 PolarHBondContact O-N 3.02Å; F354-N358 PolarHBondContact O-ND2 3.47Å; I355-N358 CarbonylContact O-C 3.52Å; I355-N358 WeakPolarHBondContact O-CA 3.44Å; I355-N358 PolarHBondContact O-N 2.92Å; L356-N358 PolarHBondContact O-N 3.18Å
359	L	65	Low	63.3	Low	56 Å²	56	61 Å²	61	29%	0.293	33%	0.333	S	S	.	.	S	Bend	trans	-71.3	148.6	168.2	-100.2	68.4	0	0	0	111.7	I355 L356 W361 L427	I355-L359 HydrophobicContact CG2-CD1 3.98Å; I355-L359 VanDerWaalsContact O-CD1 3.27Å; I355-L359 WeakPolarHBondContact O-CD1 3.37Å; I355-L359 PolarHBondContact O-N 3.21Å; L356-L359 PolarHBondContact O-N 3.37Å; L359-W361 PolarHBondContact O-N 2.83Å; L359-L427 HydrophobicContact CD1-CD1 3.85Å
360	P	62.2	Low	61.3	Low	59 Å²	59	65.1 Å²	65.1	38%	0.383	35%	0.348	S	S	.	.			trans	-79.2	66.1	178.9	33.1	-36.3	0	0	0	112.4	S362 K363 L364	P360-S362 VanDerWaalsContact C-N 3.25Å; P360-S362 PolarHBondContact O-N 3.25Å; P360-S362 VanDerWaalsContact O-N 3.14Å; P360-K363 PolarHBondContact O-N 3.29Å; P360-K363 VanDerWaalsContact O-N 3.16Å; P360-L364 PolarHBondContact O-N 2.86Å
361	W	57.5	Low	59.2	Low	68 Å²	68	70.3 Å²	70.3	26%	0.258	38%	0.379	S	S	.	.	H	α-helix	trans	-49.3	-38.9	-177.3	-70.5	95.4	0	0	0	114.6	V254 I257 L261 L356 L359 K363 L364 C365	V254-W361 HydrophobicContact CG1-CB 3.8Å; I257-W361 HydrophobicContact CG2-CD2 4.49Å; I257-W361 HydrophobicContact CG2-CZ2 4.48Å; L261-W361 HydrophobicContact CD1-CZ2 3.86Å; L356-W361 PolarHBondContact O-NE1 2.97Å; L359-W361 PolarHBondContact O-N 2.83Å; W361-K363 VanDerWaalsContact C-N 3.32Å; W361-K363 PolarHBondContact O-N 2.94Å; W361-L364 PolarHBondContact O-N 3.3Å; W361-C365 PolarHBondContact O-N 2.84Å; W361-C365 PolarHBondContact O-SG 2.96Å
362	S	52	Low	57	Low	66 Å²	66	76.8 Å²	76.8	46%	0.462	41%	0.407	S	S	.	.	H	α-helix	trans	-58.7	-40.4	-178.6	52.7	0	0	0	0	113.1	P360 Q366	P360-S362 VanDerWaalsContact C-N 3.25Å; P360-S362 PolarHBondContact O-N 3.25Å; P360-S362 VanDerWaalsContact O-N 3.14Å; S362-Q366 WeakPolarHBondContact O-CG 3.36Å; S362-Q366 PolarHBondContact O-N 2.94Å
363	K	49.7	Very low	54.9	Low	64 Å²	64	79.4 Å²	79.4	28%	0.278	43%	0.427	S	S	.	.	H	α-helix	trans	-79.8	-33	178.2	-67.3	-173.9	178.9	-177.7	0	111.9	P360 W361 Q366 T367 N416	P360-K363 PolarHBondContact O-N 3.29Å; P360-K363 VanDerWaalsContact O-N 3.16Å; W361-K363 VanDerWaalsContact C-N 3.32Å; W361-K363 PolarHBondContact O-N 2.94Å; K363-Q366 PolarHBondContact O-N 3.2Å; K363-T367 PolarHBondContact O-N 3.4Å; K363-T367 PolarHBondContact O-OG1 3.15Å; K363-N416 WeakPolarHBondContact CE-OD1 3.46Å; K363-N416 VanDerWaalsContact NZ-CG 3.26Å; K363-N416 PolarHBondContact NZ-O 3.48Å; K363-N416 PolarHBondContact NZ-OD1 2.97Å
364	L	52	Low	52.6	Low	88 Å²	88	84.7 Å²	84.7	46%	0.461	46%	0.461	S	S	.	.	H	α-helix	trans	-64.1	-41.6	176.6	-149.8	85.9	0	0	0	112.1	P360 W361 T367 L368	P360-L364 PolarHBondContact O-N 2.86Å; W361-L364 PolarHBondContact O-N 3.3Å; L364-T367 PolarHBondContact O-N 2.97Å; L364-T367 PolarHBondContact O-OG1 3.23Å; L364-T367 VanDerWaalsContact O-OG1 3.1Å; L364-L368 HydrophobicContact CD2-CD1 4.42Å; L364-L368 HydrophobicContact CG-CD1 4.35Å; L364-L368 WeakPolarHBondContact O-CB 3.49Å; L364-L368 PolarHBondContact O-N 3.47Å; L364-L368 VanDerWaalsContact O-N 3.09Å
365	C	45.9	Very low	50.6	Low	67 Å²	67	88.3 Å²	88.3	45%	0.453	49%	0.489	S	S	.	.	H	α-helix	trans	-65	-39.4	175	-67.9	0	0	0	0	112.1	W361 S369	W361-C365 PolarHBondContact O-N 2.84Å; W361-C365 PolarHBondContact O-SG 2.96Å; C365-S369 WeakPolarHBondContact O-CB 3.39Å; C365-S369 PolarHBondContact O-N 2.99Å; C365-S369 PolarHBondContact O-OG 3.25Å
366	Q	47.2	Very low	48.4	Very low	122 Å²	122	95.1 Å²	95.1	57%	0.57	53%	0.525	S	S	*	.	H	α-helix	trans	-72.1	-26.4	179.2	-74.7	-176.9	-11.1	0	0	114.2	S362 K363 K370	S362-Q366 WeakPolarHBondContact O-CG 3.36Å; S362-Q366 PolarHBondContact O-N 2.94Å; K363-Q366 PolarHBondContact O-N 3.2Å; Q366-K370 VanDerWaalsContact O-CG 3.32Å; Q366-K370 WeakPolarHBondContact O-CG 3.45Å
367	T	47	Very low	46.5	Very low	92 Å²	92	98 Å²	98	56%	0.564	55%	0.545	S	S	*	.	H	α-helix	trans	-80	-39.9	172.4	52	0	0	0	0	111.6	K363 L364 K370	K363-T367 PolarHBondContact O-N 3.4Å; K363-T367 PolarHBondContact O-OG1 3.15Å; L364-T367 PolarHBondContact O-N 2.97Å; L364-T367 PolarHBondContact O-OG1 3.23Å; L364-T367 VanDerWaalsContact O-OG1 3.1Å; T367-K370 PolarHBondContact O-N 3.13Å
368	L	44.5	Very low	44.3	Very low	127 Å²	127	104.7 Å²	104.7	67%	0.665	59%	0.585	S	S	*	*	H	α-helix	trans	-64.8	-36.7	174.2	-82.6	158.5	0	0	0	112.9	L364 K370	L364-L368 HydrophobicContact CD2-CD1 4.42Å; L364-L368 HydrophobicContact CG-CD1 4.35Å; L364-L368 WeakPolarHBondContact O-CB 3.49Å; L364-L368 PolarHBondContact O-N 3.47Å; L364-L368 VanDerWaalsContact O-N 3.09Å; L368-K370 VanDerWaalsContact C-N 3.31Å; L368-K370 PolarHBondContact O-N 2.93Å
369	S	46.8	Very low	42.7	Very low	90 Å²	90	111.7 Å²	111.7	63%	0.629	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-9.7	-179.5	76.4	0	0	0	0	114.8	C365	C365-S369 WeakPolarHBondContact O-CB 3.39Å; C365-S369 PolarHBondContact O-N 2.99Å; C365-S369 PolarHBondContact O-OG 3.25Å
370	K	39.5	Very low	41.1	Very low	172 Å²	172	115.5 Å²	115.5	75%	0.748	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	8.8	-176.5	-83.5	-177	174.9	-178	0	114.5	Q366 T367 L368	Q366-K370 VanDerWaalsContact O-CG 3.32Å; Q366-K370 WeakPolarHBondContact O-CG 3.45Å; T367-K370 PolarHBondContact O-N 3.13Å; L368-K370 VanDerWaalsContact C-N 3.31Å; L368-K370 PolarHBondContact O-N 2.93Å
371	V	37	Very low	39.5	Very low	109 Å²	109	120.6 Å²	120.6	66%	0.661	65%	0.65	S	S	*	*	S	Bend	trans	-85.2	-6.3	-174.1	-178.9	0	0	0	0	113.4
372	H	30.1	Very low	38.1	Very low	159 Å²	159	123.5 Å²	123.5	74%	0.736	67%	0.67	S	S	*	*	S	Bend	trans	-129.3	131.2	178.6	-86	3.3	0	0	0	114.6
373	T	32.6	Very low	37.1	Very low	143 Å²	143	125.4 Å²	125.4	88%	0.877	68%	0.683	S	S	*	*			trans	70	144.4	167.1	60.1	0	0	0	0	118.7
374	T	32.3	Very low	36.1	Very low	141 Å²	141	127.1 Å²	127.1	87%	0.865	70%	0.702	S	S	*	*			trans	-99.8	165.1	-169.5	31.7	0	0	0	0	112.9
375	P	35	Very low	35.2	Very low	116 Å²	116	128.3 Å²	128.3	75%	0.753	72%	0.718	S	S	*	*			trans	-103.6	145	-155.4	37.4	-34.1	0	0	0	115.9
376	L	26.5	Very low	34.5	Very low	171 Å²	171	129.9 Å²	129.9	90%	0.895	73%	0.73	S	S	*	*			trans	-166	154.3	140.9	-139.8	76.9	0	0	0	111
377	V	32.7	Very low	33.7	Very low	126 Å²	126	132.2 Å²	132.2	76%	0.764	74%	0.741	S	S	*	*			trans	161.4	137.4	142	154.5	0	0	0	0	109.5
378	V	28.1	Very low	32.8	Very low	140 Å²	140	133.7 Å²	133.7	85%	0.848	75%	0.749	S	S	*	*			trans	-131.7	133	177.3	171.5	0	0	0	0	108.7
379	Q	33.7	Very low	32.2	Very low	170 Å²	170	133.8 Å²	133.8	79%	0.794	76%	0.755	S	S	*	*			trans	-165.7	149.7	176.6	-144	169.3	13.2	0	0	111.3
380	Q	30.2	Very low	31.3	Very low	136 Å²	136	140.8 Å²	140.8	64%	0.636	77%	0.769	S	S	*	*				-165.2	145.8	-52	-132.6	175.2	-6.2	0	0	110
381	F	29.1	Very low	31	Very low	165 Å²	165	137.4 Å²	137.4	72%	0.724	77%	0.767	S	S	*	*			trans	65.2	160.8	162.1	-61.5	-57.8	0	0	0	118.5
382	N	28.8	Very low	30.6	Very low	129 Å²	129	139.1 Å²	139.1	69%	0.69	77%	0.773	S	S	*	*			cis	-155.2	153.7	-0.4	-135.4	0.7	0	0	0	115.1
383	C	29.5	Very low	30.5	Very low	107 Å²	107	138.2 Å²	138.2	72%	0.723	77%	0.773	S	S	*	*			trans	51.5	155	143.8	-76.1	0	0	0	0	123.3
384	S	30.4	Very low	30.2	Very low	99 Å²	99	137.5 Å²	137.5	69%	0.692	77%	0.769	S	S	*	*			cis	-168.7	159.1	0.4	37.7	0	0	0	0	114.2
385	S	31.8	Very low	30	Very low	114 Å²	114	135.9 Å²	135.9	80%	0.797	76%	0.763	S	S	*	*			trans	68.5	151.2	159.6	69.6	0	0	0	0	118.5
386	S	31.1	Very low	29.6	Very low	100 Å²	100	137.6 Å²	137.6	70%	0.699	77%	0.766	S	S	*	*			cis	179.9	165.9	-9.8	46.7	0	0	0	0	109.4
387	H	31.4	Very low	29.7	Very low	171 Å²	171	134 Å²	134	79%	0.792	76%	0.755	S	S	*	*			cis	-161.3	137.6	-8.3	-116.7	-58	0	0	0	111.2
388	V	28	Very low	29.6	Very low	123 Å²	123	137 Å²	137	75%	0.745	76%	0.758	S	S	*	*			trans	37.4	131.3	134.2	176.5	0	0	0	0	123
389	V	32.6	Very low	29.4	Very low	129 Å²	129	136.8 Å²	136.8	78%	0.782	75%	0.751	S	S	*	*				-172.4	143.3	120	147.5	0	0	0	0	110
390	Y	26.8	Very low	29.2	Very low	237 Å²	237	135.5 Å²	135.5	93%	0.929	75%	0.747	S	S	*	*			trans	-146	144.2	171.7	-111	-83.4	0	0	0	109.9
391	S	34.2	Very low	29	Very low	101 Å²	101	134.8 Å²	134.8	71%	0.706	75%	0.748	S	S	*	*			trans	-155.6	131.7	169	58.4	0	0	0	0	111.6
392	N	28	Very low	28.8	Very low	145 Å²	145	134.3 Å²	134.3	78%	0.775	75%	0.747	S	S	*	*			trans	-9.5	138	165.4	-47.7	-2.5	0	0	0	116.4
393	D	27.9	Very low	28.7	Very low	140 Å²	140	134.2 Å²	134.2	75%	0.749	75%	0.746	S	S	*	*				-164	152.8	59.4	-111.1	-40.3	0	0	0	115.5
394	T	27.1	Very low	28.5	Very low	127 Å²	127	135.3 Å²	135.3	78%	0.779	75%	0.749	S	S	*	*			trans	64.7	153.4	165.4	67	0	0	0	0	121.1
395	S	27.6	Very low	28.3	Very low	108 Å²	108	137.5 Å²	137.5	76%	0.755	75%	0.751	S	S	*	*			trans	64	99.7	174.6	61.6	0	0	0	0	118.4
396	N	26.7	Very low	28.1	Very low	152 Å²	152	137.8 Å²	137.8	81%	0.813	75%	0.748	S	S	*	*			trans	56.2	106.7	140.1	-68.1	8.2	0	0	0	121.3
397	S	28	Very low	27.9	Very low	96 Å²	96	139.4 Å²	139.4	67%	0.671	74%	0.744	S	S	*	*				74.4	110.4	123.6	63.1	0	0	0	0	120.4
398	F	29.8	Very low	27.7	Very low	188 Å²	188	138.6 Å²	138.6	83%	0.825	74%	0.741	S	S	*	*			trans	52.3	111.6	147.7	-64.5	-91.8	0	0	0	116.8
399	I	25.4	Very low	27.7	Very low	135 Å²	135	138.9 Å²	138.9	69%	0.692	74%	0.739	S	S	*	*			cis	49.5	72.7	32.3	-40.4	179.1	0	0	0	112.5
400	M	29.1	Very low	27.5	Very low	143 Å²	143	138.4 Å²	138.4	70%	0.704	73%	0.731	S	S	*	*				-144.9	129.8	107.4	-76.5	-55.5	150.6	0	0	106.1
401	D	26.1	Very low	27.6	Very low	122.5 Å²	122.5	134 Å²	134	66%	0.655	72%	0.723	S	S	*	*				59	134.6	97.2	-109	-5.5	0	0	0	116.7
402	Q	25.5	Very low	27.5	Very low	154.5 Å²	154.5	137 Å²	137	72%	0.722	72%	0.724	S	S	*	*				73.2	127.2	97.9	-100	-171.7	41.2	0	0	117
403	I	25.8	Very low	27.7	Very low	127 Å²	127	134.8 Å²	134.8	65%	0.651	71%	0.712	S	S	*	*			trans	69.1	122.8	152.7	-40.7	171.5	0	0	0	116.8	I405	I403-I405 HydrophobicContact CG2-CB 4.24Å
404	T	25.3	Very low	28.1	Very low	130 Å²	130	133.8 Å²	133.8	80%	0.798	71%	0.706	S	S	*	*			trans	160.2	91.3	161.4	63.7	0	0	0	0	115.3	V406	T404-V406 CarbonylContact C-O 3.03Å
405	I	25.9	Very low	28.6	Very low	144 Å²	144	134.8 Å²	134.8	74%	0.738	70%	0.702	S	S	*	*				-114.3	140.7	-129.1	-85.4	165.5	0	0	0	106.1	I403 H407	I403-I405 HydrophobicContact CG2-CB 4.24Å; I405-H407 PolarHBondContact O-N 3.28Å; I405-H407 VanDerWaalsContact O-N 3.16Å
406	V	27.5	Very low	29.2	Very low	120.5 Å²	120.5	133.3 Å²	133.3	73%	0.73	69%	0.685	S	S	*	*			trans	2.9	108.2	-170.8	-179.2	0	0	0	0	109.8	T404	T404-V406 CarbonylContact C-O 3.03Å
407	H	27.5	Very low	30	Very low	133.5 Å²	133.5	128.4 Å²	128.4	62%	0.618	66%	0.661	S	S	*	*				-169.4	106.3	98.1	-110.7	-44.4	0	0	0	111.6	I405 N409 N410	I405-H407 PolarHBondContact O-N 3.28Å; I405-H407 VanDerWaalsContact O-N 3.16Å; H407-N409 PolarHBondContact O-N 3.01Å; H407-N410 PolarHBondContact CD2-ND2 2.9Å; H407-N410 VanDerWaalsContact CE1-CG 3.42Å; H407-N410 PolarHBondContact CE1-ND2 3.45Å; H407-N410 VanDerWaalsContact CE1-ND2 3.27Å; H407-N410 PolarHBondContact CE1-OD1 3.4Å; H407-N410 VanDerWaalsContact CG-ND2 3.35Å; H407-N410 PolarHBondContact ND1-ND2 2.91Å; H407-N410 PolarHBondContact ND1-OD1 3Å; H407-N410 PolarHBondContact NE2-ND2 2.86Å; H407-N410 PolarHBondContact O-N 3.34Å
408	Q	27.7	Very low	30.8	Very low	155.5 Å²	155.5	127.7 Å²	127.7	73%	0.727	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn		-118.7	57.4	-102.7	-176.8	161.5	-35.9	0	0	110.8	N410	Q408-N410 VanDerWaalsContact C-N 3.31Å; Q408-N410 PolarHBondContact O-N 2.84Å
409	N	26.6	Very low	31.7	Very low	129 Å²	129	123.8 Å²	123.8	69%	0.69	63%	0.634	S	S	*	*	H	α-helix	trans	-6.4	37.5	168.7	-59.8	-7.3	0	0	0	116.1	H407 L411	H407-N409 PolarHBondContact O-N 3.01Å; N409-L411 PolarHBondContact O-N 3.13Å
410	N	29.2	Very low	32.8	Very low	117 Å²	117	121.9 Å²	121.9	63%	0.626	62%	0.624	S	S	*	*	H	α-helix	trans	-128.7	39.1	160.4	-80.2	-8.3	0	0	0	111.2	H407 Q408 D413	H407-N410 PolarHBondContact CD2-ND2 2.9Å; H407-N410 VanDerWaalsContact CE1-CG 3.42Å; H407-N410 PolarHBondContact CE1-ND2 3.45Å; H407-N410 VanDerWaalsContact CE1-ND2 3.27Å; H407-N410 PolarHBondContact CE1-OD1 3.4Å; H407-N410 VanDerWaalsContact CG-ND2 3.35Å; H407-N410 PolarHBondContact ND1-ND2 2.91Å; H407-N410 PolarHBondContact ND1-OD1 3Å; H407-N410 PolarHBondContact NE2-ND2 2.86Å; H407-N410 PolarHBondContact O-N 3.34Å; Q408-N410 VanDerWaalsContact C-N 3.31Å; Q408-N410 PolarHBondContact O-N 2.84Å; N410-D413 PolarHBondContact O-N 3.32Å
411	L	29	Very low	34.1	Very low	144.5 Å²	144.5	117.8 Å²	117.8	76%	0.757	61%	0.605	S	S	*	*	H	α-helix		4.2	43.5	123.2	-151.7	80.5	0	0	0	111.7	N409 D413 L414	N409-L411 PolarHBondContact O-N 3.13Å; L411-D413 PolarHBondContact O-N 3.46Å; L411-L414 PolarHBondContact O-N 2.83Å
412	F	31.1	Very low	35.4	Very low	165 Å²	165	116.4 Å²	116.4	72%	0.724	60%	0.597	S	S	*	*	H	α-helix	trans	9.9	34	178	-79.7	-78.9	0	0	0	115.5	L414 E415 N416	F412-L414 VanDerWaalsContact C-N 3.25Å; F412-L414 PolarHBondContact O-N 3.04Å; F412-E415 PolarHBondContact O-N 3.5Å; F412-N416 VanDerWaalsContact O-CB 3.25Å; F412-N416 WeakPolarHBondContact O-CB 3.43Å; F412-N416 PolarHBondContact O-N 2.87Å; F412-N416 PolarHBondContact O-ND2 2.91Å
413	D	33.8	Very low	36.8	Very low	99.5 Å²	99.5	112 Å²	112	53%	0.532	58%	0.579	S	S	.	*	H	α-helix	trans	-69.4	49.4	176	-61.5	-41.5	0	0	0	113.1	N410 L411 E415 N416	N410-D413 PolarHBondContact O-N 3.32Å; L411-D413 PolarHBondContact O-N 3.46Å; D413-E415 VanDerWaalsContact C-N 3.29Å; D413-E415 PolarHBondContact O-N 2.75Å; D413-N416 HydrophobicContact CB-CB 4.07Å; D413-N416 WeakPolarHBondContact O-CB 3.34Å; D413-N416 PolarHBondContact O-N 3.06Å; D413-N416 PolarHBondContact OD1-ND2 3.37Å; D413-N416 PolarHBondContact OD2-ND2 2.85Å
414	L	36.5	Very low	38.5	Very low	118 Å²	118	109.7 Å²	109.7	62%	0.618	57%	0.568	S	S	*	*	H	α-helix	trans	-83	-17.6	177.1	-146	76.1	0	0	0	114	L411 F412 T417	L411-L414 PolarHBondContact O-N 2.83Å; F412-L414 VanDerWaalsContact C-N 3.25Å; F412-L414 PolarHBondContact O-N 3.04Å; L414-T417 HydrophobicContact CD1-CG2 4.24Å; L414-T417 PolarHBondContact O-OG1 3.37Å; L414-T417 VanDerWaalsContact O-OG1 3.05Å
415	E	37.4	Very low	40.1	Very low	149 Å²	149	108.9 Å²	108.9	70%	0.696	55%	0.55	S	S	*	.	H	α-helix	trans	-80.9	-29.8	167.4	-71.5	-171.3	128.5	0	0	111.9	F412 D413 T417 N418 H419	F412-E415 PolarHBondContact O-N 3.5Å; D413-E415 VanDerWaalsContact C-N 3.29Å; D413-E415 PolarHBondContact O-N 2.75Å; E415-T417 VanDerWaalsContact C-N 3.29Å; E415-T417 PolarHBondContact O-N 3.34Å; E415-T417 VanDerWaalsContact O-N 3.17Å; E415-N418 PolarHBondContact O-N 2.99Å; E415-H419 PolarHBondContact O-N 3.13Å
416	N	39.5	Very low	41.7	Very low	75 Å²	75	106.1 Å²	106.1	40%	0.401	54%	0.536	S	S	.	.	H	α-helix	trans	-63.4	-26.5	175.6	-95.9	-39.1	0	0	0	113.5	K363 F412 D413 H419 L420	K363-N416 WeakPolarHBondContact CE-OD1 3.46Å; K363-N416 VanDerWaalsContact NZ-CG 3.26Å; K363-N416 PolarHBondContact NZ-O 3.48Å; K363-N416 PolarHBondContact NZ-OD1 2.97Å; F412-N416 VanDerWaalsContact O-CB 3.25Å; F412-N416 WeakPolarHBondContact O-CB 3.43Å; F412-N416 PolarHBondContact O-N 2.87Å; F412-N416 PolarHBondContact O-ND2 2.91Å; D413-N416 HydrophobicContact CB-CB 4.07Å; D413-N416 WeakPolarHBondContact O-CB 3.34Å; D413-N416 PolarHBondContact O-N 3.06Å; D413-N416 PolarHBondContact OD1-ND2 3.37Å; D413-N416 PolarHBondContact OD2-ND2 2.85Å; N416-H419 PolarHBondContact O-N 3.06Å; N416-L420 WeakPolarHBondContact O-CB 3.38Å; N416-L420 PolarHBondContact O-N 2.86Å
417	T	43	Very low	43.3	Very low	49.5 Å²	49.5	104.4 Å²	104.4	30%	0.304	52%	0.522	S	S	.	.	H	α-helix	trans	-75.8	-40.7	-178.7	54.7	0	0	0	0	112.7	L414 E415 H419 L420 I421	L414-T417 HydrophobicContact CD1-CG2 4.24Å; L414-T417 PolarHBondContact O-OG1 3.37Å; L414-T417 VanDerWaalsContact O-OG1 3.05Å; E415-T417 VanDerWaalsContact C-N 3.29Å; E415-T417 PolarHBondContact O-N 3.34Å; E415-T417 VanDerWaalsContact O-N 3.17Å; T417-H419 VanDerWaalsContact C-N 3.34Å; T417-H419 PolarHBondContact O-N 2.9Å; T417-L420 WeakPolarHBondContact O-CB 3.41Å; T417-L420 PolarHBondContact O-N 3.21Å; T417-I421 WeakPolarHBondContact O-CG1 3.38Å; T417-I421 PolarHBondContact O-N 3.38Å
418	N	45.2	Very low	45.1	Very low	82 Å²	82	100.3 Å²	100.3	44%	0.439	50%	0.504	S	S	.	.	H	α-helix	trans	-60.6	-47.3	177.6	-74.6	-35	0	0	0	111.4	E415 L420 I421 D422	E415-N418 PolarHBondContact O-N 2.99Å; N418-L420 VanDerWaalsContact C-N 3.35Å; N418-L420 PolarHBondContact O-N 3.25Å; N418-I421 WeakPolarHBondContact O-CB 3.28Å; N418-I421 PolarHBondContact O-N 3.19Å; N418-D422 PolarHBondContact O-N 3.46Å
419	H	48.8	Very low	46.7	Very low	106.5 Å²	106.5	98 Å²	98	49%	0.493	49%	0.492	S	S	.	.	H	α-helix	trans	-67.7	-19.8	174.2	-73.1	-37	0	0	0	114	E415 N416 T417 I421 D422 N423	E415-H419 PolarHBondContact O-N 3.13Å; N416-H419 PolarHBondContact O-N 3.06Å; T417-H419 VanDerWaalsContact C-N 3.34Å; T417-H419 PolarHBondContact O-N 2.9Å; H419-I421 VanDerWaalsContact C-N 3.33Å; H419-D422 IonicContact ND1-OD2 3.26Å; H419-D422 PolarHBondContact ND1-OD2 2.89Å; H419-N423 PolarHBondContact O-N 3.14Å; H419-N423 PolarHBondContact O-ND2 2.98Å
420	L	49	Very low	48.3	Very low	94 Å²	94	93 Å²	93	49%	0.492	47%	0.467	S	S	.	.	H	α-helix	trans	-70.3	-36	173.3	-128.6	162.6	0	0	0	110.9	N416 T417 N418 N423 L424	N416-L420 WeakPolarHBondContact O-CB 3.38Å; N416-L420 PolarHBondContact O-N 2.86Å; T417-L420 WeakPolarHBondContact O-CB 3.41Å; T417-L420 PolarHBondContact O-N 3.21Å; N418-L420 VanDerWaalsContact C-N 3.35Å; N418-L420 PolarHBondContact O-N 3.25Å; L420-N423 PolarHBondContact O-N 3.42Å; L420-L424 WeakPolarHBondContact O-CB 3.42Å; L420-L424 PolarHBondContact O-N 3.18Å
421	I	55.1	Low	49.9	Very low	57 Å²	57	90.9 Å²	90.9	29%	0.292	46%	0.455	S	S	.	.	H	α-helix	trans	-65	-47.3	175.5	-57.1	169.5	0	0	0	110.7	T417 N418 H419 N423 L424 W425 Y460 F464 N467	T417-I421 WeakPolarHBondContact O-CG1 3.38Å; T417-I421 PolarHBondContact O-N 3.38Å; N418-I421 WeakPolarHBondContact O-CB 3.28Å; N418-I421 PolarHBondContact O-N 3.19Å; H419-I421 VanDerWaalsContact C-N 3.33Å; I421-N423 PolarHBondContact O-N 3.1Å; I421-L424 WeakPolarHBondContact O-CA 3.22Å; I421-L424 VanDerWaalsContact O-CB 3.31Å; I421-L424 WeakPolarHBondContact O-CB 3.34Å; I421-L424 PolarHBondContact O-N 3.21Å; I421-W425 PolarHBondContact O-N 3.16Å; I421-Y460 HydrophobicContact CG2-CE2 4.02Å; I421-F464 HydrophobicContact CD1-CD2 4.5Å; I421-N467 WeakPolarHBondContact CD1-ND2 3.24Å
422	D	54	Low	51.5	Low	92.5 Å²	92.5	86.3 Å²	86.3	50%	0.495	43%	0.431	S	S	.	.	H	α-helix	trans	-59.3	-44.5	-179.5	-61.1	-34.8	0	0	0	112.3	N418 H419 L424 W425 L426	N418-D422 PolarHBondContact O-N 3.46Å; H419-D422 IonicContact ND1-OD2 3.26Å; H419-D422 PolarHBondContact ND1-OD2 2.89Å; D422-L424 VanDerWaalsContact C-N 3.32Å; D422-L424 PolarHBondContact O-N 3.25Å; D422-W425 WeakPolarHBondContact O-CB 3.37Å; D422-W425 PolarHBondContact O-N 2.92Å; D422-L426 PolarHBondContact O-N 2.95Å
423	N	55.9	Low	52.9	Low	63.5 Å²	63.5	82.9 Å²	82.9	34%	0.34	42%	0.42	S	S	.	.	H	α-helix	trans	-69.6	-33.7	178.2	-74.9	-70.5	0	0	0	112.3	H419 L420 I421 W425 L426 L427	H419-N423 PolarHBondContact O-N 3.14Å; H419-N423 PolarHBondContact O-ND2 2.98Å; L420-N423 PolarHBondContact O-N 3.42Å; I421-N423 PolarHBondContact O-N 3.1Å; N423-W425 VanDerWaalsContact C-N 3.32Å; N423-L426 PolarHBondContact O-N 3.25Å; N423-L427 PolarHBondContact O-N 3.18Å; N423-L427 VanDerWaalsContact O-N 3.13Å
424	L	59.9	Low	54.2	Low	78.5 Å²	78.5	81.2 Å²	81.2	41%	0.411	41%	0.41	S	S	.	.	H	α-helix	trans	-67.7	-33.7	175.3	-160.2	129.7	0	0	0	111.3	L420 I421 D422 L427 I428 L463	L420-L424 WeakPolarHBondContact O-CB 3.42Å; L420-L424 PolarHBondContact O-N 3.18Å; I421-L424 WeakPolarHBondContact O-CA 3.22Å; I421-L424 VanDerWaalsContact O-CB 3.31Å; I421-L424 WeakPolarHBondContact O-CB 3.34Å; I421-L424 PolarHBondContact O-N 3.21Å; D422-L424 VanDerWaalsContact C-N 3.32Å; D422-L424 PolarHBondContact O-N 3.25Å; L424-L427 WeakPolarHBondContact O-CB 3.33Å; L424-L427 PolarHBondContact O-N 3.23Å; L424-I428 HydrophobicContact CD2-CD1 3.73Å; L424-I428 HydrophobicContact CD2-CG1 4.16Å; L424-I428 HydrophobicContact CG-CD1 4.47Å; L424-I428 WeakPolarHBondContact O-CG1 3.32Å; L424-I428 PolarHBondContact O-N 3.14Å; L424-L463 HydrophobicContact CD2-CD1 4.04Å
425	W	59.5	Low	55.2	Low	113 Å²	113	79.8 Å²	79.8	43%	0.428	40%	0.403	S	S	.	.	H	α-helix	trans	-64.1	-45.5	173.9	-163.5	91.6	0	0	0	112.1	I421 D422 N423 L427 I428 F429 Y460	I421-W425 PolarHBondContact O-N 3.16Å; D422-W425 WeakPolarHBondContact O-CB 3.37Å; D422-W425 PolarHBondContact O-N 2.92Å; N423-W425 VanDerWaalsContact C-N 3.32Å; W425-L427 VanDerWaalsContact C-N 3.31Å; W425-L427 PolarHBondContact O-N 3.27Å; W425-I428 PolarHBondContact O-N 3.35Å; W425-F429 HydrophobicContact CE3-CB 4.4Å; W425-F429 HydrophobicContact CE3-CD2 4.03Å; W425-F429 AromaticContact CH2-CD2 3.55Å; W425-F429 HydrophobicContact CH2-CD2 3.55Å; W425-F429 VanDerWaalsContact CH2-CD2 3.43Å; W425-F429 AromaticContact CH2-CE2 3.71Å; W425-F429 HydrophobicContact CH2-CE2 3.71Å; W425-F429 VanDerWaalsContact CH2-CE2 3.49Å; W425-F429 HydrophobicContact CH2-CG 4.42Å; W425-F429 AromaticContact CZ2-CD2 3.58Å; W425-F429 HydrophobicContact CZ2-CD2 3.83Å; W425-F429 AromaticContact CZ2-CE2 3.84Å; W425-F429 HydrophobicContact CZ2-CE2 4.02Å; W425-F429 HydrophobicContact CZ3-CB 4.37Å; W425-F429 AromaticContact CZ3-CD2 3.39Å; W425-F429 HydrophobicContact CZ3-CD2 3.83Å; W425-F429 AromaticContact CZ3-CE2 3.87Å; W425-F429 HydrophobicContact CZ3-CE2 3.87Å; W425-F429 HydrophobicContact CZ3-CG 4.04Å; W425-F429 WeakPolarHBondContact O-CB 3.33Å; W425-F429 PolarHBondContact O-N 3.32Å; W425-Y460 AromaticContact CD1-CD2 3.91Å; W425-Y460 AromaticContact CD1-CE2 3.95Å; W425-Y460 HydrophobicContact CZ2-CE2 4.46Å; W425-Y460 AromaticContact NE1-CD2 3.17Å; W425-Y460 AromaticContact NE1-CE2 3.21Å
426	L	59.4	Low	56.2	Low	85 Å²	85	75 Å²	75	45%	0.445	39%	0.393	S	S	.	.	H	α-helix	trans	-59.9	-39.7	174	-73.8	170.7	0	0	0	112.4	D422 N423 F429 S430	D422-L426 PolarHBondContact O-N 2.95Å; N423-L426 PolarHBondContact O-N 3.25Å; L426-F429 PolarHBondContact O-N 2.98Å; L426-S430 WeakPolarHBondContact O-CB 3.42Å; L426-S430 PolarHBondContact O-N 3.16Å; L426-S430 PolarHBondContact O-OG 2.78Å
427	L	62.2	Low	56.9	Low	85 Å²	85	75.1 Å²	75.1	45%	0.445	39%	0.39	S	S	.	.	H	α-helix	trans	-61.4	-50.9	174.9	-167.6	90.8	0	0	0	111.1	I355 L359 N423 L424 W425 F429 S430 I431	I355-L427 HydrophobicContact CG2-CD1 4.19Å; L359-L427 HydrophobicContact CD1-CD1 3.85Å; N423-L427 PolarHBondContact O-N 3.18Å; N423-L427 VanDerWaalsContact O-N 3.13Å; L424-L427 WeakPolarHBondContact O-CB 3.33Å; L424-L427 PolarHBondContact O-N 3.23Å; W425-L427 VanDerWaalsContact C-N 3.31Å; W425-L427 PolarHBondContact O-N 3.27Å; L427-F429 VanDerWaalsContact C-N 3.34Å; L427-F429 PolarHBondContact O-N 3.25Å; L427-S430 PolarHBondContact O-N 2.89Å; L427-S430 PolarHBondContact O-OG 3Å; L427-I431 HydrophobicContact CD2-CD1 4.12Å; L427-I431 HydrophobicContact CG-CD1 3.98Å; L427-I431 VanDerWaalsContact O-CG1 3.3Å; L427-I431 WeakPolarHBondContact O-CG1 3.3Å; L427-I431 PolarHBondContact O-N 2.94Å
428	I	64.5	Low	57.5	Low	47 Å²	47	78.9 Å²	78.9	24%	0.241	40%	0.403	C	S	.	.	H	α-helix	trans	-60.1	-44.4	178.6	-70.6	171.6	0	0	0	111.1	L424 W425 S430 I431 I432 M456	L424-I428 HydrophobicContact CD2-CD1 3.73Å; L424-I428 HydrophobicContact CD2-CG1 4.16Å; L424-I428 HydrophobicContact CG-CD1 4.47Å; L424-I428 WeakPolarHBondContact O-CG1 3.32Å; L424-I428 PolarHBondContact O-N 3.14Å; W425-I428 PolarHBondContact O-N 3.35Å; I428-S430 VanDerWaalsContact C-N 3.32Å; I428-S430 PolarHBondContact O-N 3.03Å; I428-I431 PolarHBondContact O-N 3.21Å; I428-I431 VanDerWaalsContact O-N 3.16Å; I428-I432 HydrophobicContact CG2-CD1 3.75Å; I428-I432 HydrophobicContact CG2-CG1 4.28Å; I428-I432 WeakPolarHBondContact O-CG1 3.35Å; I428-I432 PolarHBondContact O-N 3.01Å; I428-M456 HydrophobicContact CG2-CB 4.3Å
429	F	61.5	Low	57.9	Low	107 Å²	107	79.9 Å²	79.9	47%	0.469	41%	0.408	S	S	.	.	H	α-helix	trans	-63.8	-38	179.8	-144.7	-81.9	0	0	0	111.9	W425 L426 L427 I432 L433	W425-F429 HydrophobicContact CE3-CB 4.4Å; W425-F429 HydrophobicContact CE3-CD2 4.03Å; W425-F429 AromaticContact CH2-CD2 3.55Å; W425-F429 HydrophobicContact CH2-CD2 3.55Å; W425-F429 VanDerWaalsContact CH2-CD2 3.43Å; W425-F429 AromaticContact CH2-CE2 3.71Å; W425-F429 HydrophobicContact CH2-CE2 3.71Å; W425-F429 VanDerWaalsContact CH2-CE2 3.49Å; W425-F429 HydrophobicContact CH2-CG 4.42Å; W425-F429 AromaticContact CZ2-CD2 3.58Å; W425-F429 HydrophobicContact CZ2-CD2 3.83Å; W425-F429 AromaticContact CZ2-CE2 3.84Å; W425-F429 HydrophobicContact CZ2-CE2 4.02Å; W425-F429 HydrophobicContact CZ3-CB 4.37Å; W425-F429 AromaticContact CZ3-CD2 3.39Å; W425-F429 HydrophobicContact CZ3-CD2 3.83Å; W425-F429 AromaticContact CZ3-CE2 3.87Å; W425-F429 HydrophobicContact CZ3-CE2 3.87Å; W425-F429 HydrophobicContact CZ3-CG 4.04Å; W425-F429 WeakPolarHBondContact O-CB 3.33Å; W425-F429 PolarHBondContact O-N 3.32Å; L426-F429 PolarHBondContact O-N 2.98Å; L427-F429 VanDerWaalsContact C-N 3.34Å; L427-F429 PolarHBondContact O-N 3.25Å; F429-I432 PolarHBondContact O-N 3.42Å; F429-L433 HydrophobicContact CD1-CD1 4.23Å; F429-L433 HydrophobicContact CE1-CD1 4.44Å; F429-L433 WeakPolarHBondContact O-CB 3.31Å; F429-L433 PolarHBondContact O-N 3.21Å
430	S	60.3	Low	58	Low	23.5 Å²	23.5	78.3 Å²	78.3	16%	0.164	41%	0.406	C	S	.	.	H	α-helix	trans	-67.2	-38.8	174.6	12.2	0	0	0	0	112.5	L426 L427 I428 L433 I434	L426-S430 WeakPolarHBondContact O-CB 3.42Å; L426-S430 PolarHBondContact O-N 3.16Å; L426-S430 PolarHBondContact O-OG 2.78Å; L427-S430 PolarHBondContact O-N 2.89Å; L427-S430 PolarHBondContact O-OG 3Å; I428-S430 VanDerWaalsContact C-N 3.32Å; I428-S430 PolarHBondContact O-N 3.03Å; S430-L433 WeakPolarHBondContact O-CB 3.34Å; S430-L433 PolarHBondContact O-N 3.43Å; S430-I434 WeakPolarHBondContact O-CD1 3.33Å; S430-I434 VanDerWaalsContact O-CG1 3.24Å; S430-I434 WeakPolarHBondContact O-CG1 3.42Å; S430-I434 PolarHBondContact O-N 3.22Å; S430-I434 VanDerWaalsContact O-N 3.11Å
431	I	63.1	Low	58.2	Low	73 Å²	73	79.9 Å²	79.9	37%	0.374	42%	0.415	S	S	.	.	H	α-helix	trans	-66.3	-40.9	176	-70.5	164.8	0	0	0	110.9	L427 I428 I434 L435	L427-I431 HydrophobicContact CD2-CD1 4.12Å; L427-I431 HydrophobicContact CG-CD1 3.98Å; L427-I431 VanDerWaalsContact O-CG1 3.3Å; L427-I431 WeakPolarHBondContact O-CG1 3.3Å; L427-I431 PolarHBondContact O-N 2.94Å; I428-I431 PolarHBondContact O-N 3.21Å; I428-I431 VanDerWaalsContact O-N 3.16Å; I431-I434 PolarHBondContact O-N 3.09Å; I431-L435 HydrophobicContact CG2-CD1 3.77Å; I431-L435 HydrophobicContact CG2-CG 4.32Å; I431-L435 WeakPolarHBondContact O-CB 3.44Å; I431-L435 VanDerWaalsContact O-CG 3.31Å; I431-L435 WeakPolarHBondContact O-CG 3.41Å; I431-L435 PolarHBondContact O-N 3.22Å
432	I	61.9	Low	58	Low	49.5 Å²	49.5	81.6 Å²	81.6	25%	0.254	43%	0.432	S	S	.	.	H	α-helix	trans	-64.9	-40.2	175.1	-68.8	169.7	0	0	0	111	I428 F429 I434 L435 G436 T453 M456	I428-I432 HydrophobicContact CG2-CD1 3.75Å; I428-I432 HydrophobicContact CG2-CG1 4.28Å; I428-I432 WeakPolarHBondContact O-CG1 3.35Å; I428-I432 PolarHBondContact O-N 3.01Å; F429-I432 PolarHBondContact O-N 3.42Å; I432-I434 VanDerWaalsContact C-N 3.32Å; I432-I434 PolarHBondContact O-N 2.91Å; I432-L435 PolarHBondContact O-N 3.17Å; I432-G436 PolarHBondContact O-N 3.41Å; I432-T453 HydrophobicContact CG2-CG2 4.25Å; I432-M456 HydrophobicContact CD1-CB 4.32Å; I432-M456 HydrophobicContact CD1-CG 4.02Å
433	L	60	Low	58	Low	92.5 Å²	92.5	82.6 Å²	82.6	48%	0.484	44%	0.436	S	S	.	.	H	α-helix	trans	-61.1	-40.5	173.2	-96.2	164.9	0	0	0	112.6	F429 S430 F437	F429-L433 HydrophobicContact CD1-CD1 4.23Å; F429-L433 HydrophobicContact CE1-CD1 4.44Å; F429-L433 WeakPolarHBondContact O-CB 3.31Å; F429-L433 PolarHBondContact O-N 3.21Å; S430-L433 WeakPolarHBondContact O-CB 3.34Å; S430-L433 PolarHBondContact O-N 3.43Å; L433-F437 WeakPolarHBondContact O-CB 3.43Å; L433-F437 PolarHBondContact O-N 2.92Å
434	I	60.6	Low	57.8	Low	63.5 Å²	63.5	87 Å²	87	33%	0.326	45%	0.448	S	S	.	.	H	α-helix	trans	-68.6	-47.1	176.6	-69.7	168.2	0	0	0	110.9	I355 S430 I431 I432 G436 F437 F438	I355-I434 HydrophobicContact CD1-CD1 3.46Å; I355-I434 VanDerWaalsContact CD1-CD1 3.46Å; S430-I434 WeakPolarHBondContact O-CD1 3.33Å; S430-I434 VanDerWaalsContact O-CG1 3.24Å; S430-I434 WeakPolarHBondContact O-CG1 3.42Å; S430-I434 PolarHBondContact O-N 3.22Å; S430-I434 VanDerWaalsContact O-N 3.11Å; I431-I434 PolarHBondContact O-N 3.09Å; I432-I434 VanDerWaalsContact C-N 3.32Å; I432-I434 PolarHBondContact O-N 2.91Å; I434-G436 PolarHBondContact O-N 3.09Å; I434-F437 PolarHBondContact O-N 2.85Å; I434-F437 VanDerWaalsContact O-N 3.16Å; I434-F438 HydrophobicContact CG2-CD2 4.15Å; I434-F438 HydrophobicContact CG2-CE2 4.14Å; I434-F438 PolarHBondContact O-N 2.98Å
435	L	58.8	Low	57.6	Low	89.5 Å²	89.5	86 Å²	86	47%	0.469	45%	0.447	S	S	.	.	H	α-helix	trans	-65.5	-35.2	179.7	-75.9	167.8	0	0	0	113.2	I431 I432 F437 F438 L452	I431-L435 HydrophobicContact CG2-CD1 3.77Å; I431-L435 HydrophobicContact CG2-CG 4.32Å; I431-L435 WeakPolarHBondContact O-CB 3.44Å; I431-L435 VanDerWaalsContact O-CG 3.31Å; I431-L435 WeakPolarHBondContact O-CG 3.41Å; I431-L435 PolarHBondContact O-N 3.22Å; I432-L435 PolarHBondContact O-N 3.17Å; L435-F437 PolarHBondContact O-N 3.17Å; L435-F438 PolarHBondContact O-N 3.45Å; L435-L452 HydrophobicContact CD1-CD1 4.21Å; L435-L452 HydrophobicContact CD1-CD2 3.83Å
436	G	57.7	Low	57.5	Low	47 Å²	47	88.2 Å²	88.2	49%	0.485	46%	0.46	S	S	.	.	H	α-helix	trans	-69.3	-18.8	175.3	0	0	0	0	0	113.9	I432 I434 R449	I432-G436 PolarHBondContact O-N 3.41Å; I434-G436 PolarHBondContact O-N 3.09Å; G436-R449 PolarHBondContact O-NH1 2.94Å
437	F	54.6	Low	57.6	Low	78 Å²	78	93.2 Å²	93.2	34%	0.342	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-7.6	-174.5	-155.4	-135.7	0	0	0	113.4	F206 H344 Y348 L433 I434 L435 D439	F206-F437 HydrophobicContact CE1-CE1 4.31Å; H344-F437 AromaticContact CD2-CZ 3.97Å; H344-F437 AromaticContact CE1-CD1 3.94Å; H344-F437 AromaticContact CE1-CE1 3.23Å; H344-F437 WeakPolarHBondContact CE1-CE1 3.23Å; H344-F437 AromaticContact CE1-CE2 3.9Å; H344-F437 AromaticContact CE1-CZ 3.21Å; H344-F437 WeakPolarHBondContact CE1-CZ 3.39Å; H344-F437 AromaticContact ND1-CE1 3.55Å; H344-F437 AromaticContact ND1-CZ 3.71Å; H344-F437 AromaticContact NE2-CE1 3.93Å; H344-F437 AromaticContact NE2-CE2 3.83Å; H344-F437 AromaticContact NE2-CZ 3.4Å; H344-F437 WeakPolarHBondContact NE2-CZ 3.29Å; Y348-F437 HydrophobicContact CD1-CD1 4.21Å; Y348-F437 AromaticContact CE1-CD1 3.45Å; Y348-F437 HydrophobicContact CE1-CD1 3.45Å; Y348-F437 VanDerWaalsContact CE1-CD1 3.45Å; Y348-F437 HydrophobicContact CE1-CE1 4.09Å; Y348-F437 HydrophobicContact CE1-CG 4.38Å; Y348-F437 HydrophobicContact CE2-CD1 4.4Å; Y348-F437 HydrophobicContact CE2-CE1 4.34Å; Y348-F437 AromaticContact CZ-CD1 3.57Å; Y348-F437 AromaticContact CZ-CE1 3.94Å; Y348-F437 PolarHBondContact OH-O 2.97Å; L433-F437 WeakPolarHBondContact O-CB 3.43Å; L433-F437 PolarHBondContact O-N 2.92Å; I434-F437 PolarHBondContact O-N 2.85Å; I434-F437 VanDerWaalsContact O-N 3.16Å; L435-F437 PolarHBondContact O-N 3.17Å; F437-D439 PolarHBondContact O-N 3.41Å
438	F	55.3	Low	57.6	Low	129.5 Å²	129.5	97.2 Å²	97.2	57%	0.568	48%	0.483	S	S	*	.	S	Bend	trans	-76.2	87.3	160.9	-96.5	-86.7	0	0	0	110	I434 L435 V440 R449	I434-F438 HydrophobicContact CG2-CD2 4.15Å; I434-F438 HydrophobicContact CG2-CE2 4.14Å; I434-F438 PolarHBondContact O-N 2.98Å; L435-F438 PolarHBondContact O-N 3.45Å; F438-V440 HydrophobicContact CB-CG2 3.96Å; F438-V440 HydrophobicContact CD1-CG2 3.91Å; F438-V440 PolarHBondContact O-N 2.96Å; F438-R449 VanDerWaalsContact C-NH2 3.31Å; F438-R449 PolarHBondContact O-NH2 3.26Å
439	D	53.7	Low	57.3	Low	103.5 Å²	103.5	99.4 Å²	99.4	55%	0.553	49%	0.489	S	S	*	.			trans	-71.8	72	168.5	-89.2	-17.3	0	0	0	110.9	F437 D441 R449	F437-D439 PolarHBondContact O-N 3.41Å; D439-D441 PolarHBondContact O-N 3.11Å; D439-D441 VanDerWaalsContact O-N 3.17Å; D439-R449 IonicContact OD1-CZ 3.07Å; D439-R449 VanDerWaalsContact OD1-CZ 3.23Å; D439-R449 IonicContact OD1-NH1 3.13Å; D439-R449 PolarHBondContact OD1-NH1 3.18Å; D439-R449 IonicContact OD1-NH2 3.72Å; D439-R449 PolarHBondContact OD1-NH2 3.39Å
440	V	50.1	Low	57.4	Low	73 Å²	73	98.9 Å²	98.9	44%	0.442	48%	0.484	S	S	.	.			trans	-79.2	76	166.3	-166.4	0	0	0	0	108.2	F438 S442 I443 W444	F438-V440 HydrophobicContact CB-CG2 3.96Å; F438-V440 HydrophobicContact CD1-CG2 3.91Å; F438-V440 PolarHBondContact O-N 2.96Å; V440-S442 WeakPolarHBondContact CG1-OG 3.46Å; V440-S442 PolarHBondContact O-N 3.21Å; V440-S442 VanDerWaalsContact O-N 3.14Å; V440-I443 HydrophobicContact CG1-CB 3.72Å; V440-I443 HydrophobicContact CG1-CD1 3.76Å; V440-I443 HydrophobicContact CG1-CG1 3.71Å; V440-I443 PolarHBondContact O-N 3.35Å; V440-W444 PolarHBondContact O-N 2.93Å
441	D	53.2	Low	57.8	Low	127.5 Å²	127.5	99 Å²	99	68%	0.682	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-15.9	-176.1	-73.8	-33.3	0	0	0	114	D439 I443 R449	D439-D441 PolarHBondContact O-N 3.11Å; D439-D441 VanDerWaalsContact O-N 3.17Å; D441-I443 PolarHBondContact O-N 3.19Å; D441-R449 IonicContact OD1-CZ 3.51Å; D441-R449 IonicContact OD1-NH1 2.87Å; D441-R449 IonicContact OD1-NH2 3.19Å; D441-R449 PolarHBondContact OD1-NH2 2.7Å
442	S	52.1	Low	58	Low	92.5 Å²	92.5	98 Å²	98	65%	0.647	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	39.1	179.6	65.1	0	0	0	0	114.7	V440 W444	V440-S442 WeakPolarHBondContact CG1-OG 3.46Å; V440-S442 PolarHBondContact O-N 3.21Å; V440-S442 VanDerWaalsContact O-N 3.14Å; S442-W444 PolarHBondContact O-N 3.45Å
443	I	52.9	Low	58.2	Low	112.5 Å²	112.5	97.4 Å²	97.4	58%	0.577	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	151.7	-29.8	164.7	-65.6	175.8	0	0	0	115.9	V440 D441 S445 P1063	V440-I443 HydrophobicContact CG1-CB 3.72Å; V440-I443 HydrophobicContact CG1-CD1 3.76Å; V440-I443 HydrophobicContact CG1-CG1 3.71Å; V440-I443 PolarHBondContact O-N 3.35Å; D441-I443 PolarHBondContact O-N 3.19Å; I443-S445 VanDerWaalsContact C-N 3.28Å; I443-S445 PolarHBondContact O-N 2.81Å; I443-P1063 HydrophobicContact CD1-CG 3.85Å
444	W	51.6	Low	58.6	Low	156 Å²	156	96.5 Å²	96.5	59%	0.591	48%	0.478	S	S	*	.	S	Bend	trans	-95.1	92.7	-170.2	-76.1	72.8	0	0	0	113.6	V440 S442 W448 L452	V440-W444 PolarHBondContact O-N 2.93Å; S442-W444 PolarHBondContact O-N 3.45Å; W444-W448 HydrophobicContact CE3-CB 3.92Å; W444-W448 HydrophobicContact CE3-CE3 4.12Å; W444-W448 HydrophobicContact CH2-CE3 4.18Å; W444-W448 HydrophobicContact CZ3-CB 4.38Å; W444-W448 AromaticContact CZ3-CE3 3.7Å; W444-W448 HydrophobicContact CZ3-CE3 3.7Å; W444-W448 HydrophobicContact CZ3-CZ3 4.46Å; W444-L452 HydrophobicContact CH2-CD1 4.09Å; W444-L452 HydrophobicContact CZ3-CD1 4.05Å
445	S	57.3	Low	59.2	Low	58.5 Å²	58.5	98.7 Å²	98.7	41%	0.409	49%	0.489	S	S	.	.			trans	6.7	123.6	161.9	-174.6	0	0	0	0	115.1	I443 Y447 W448	I443-S445 VanDerWaalsContact C-N 3.28Å; I443-S445 PolarHBondContact O-N 2.81Å; S445-Y447 PolarHBondContact O-N 3.28Å; S445-Y447 VanDerWaalsContact O-N 3.11Å; S445-Y447 WeakPolarHBondContact OG-CB 3.17Å; S445-Y447 WeakPolarHBondContact OG-CD2 3.31Å; S445-Y447 PolarHBondContact OG-N 3.29Å; S445-W448 PolarHBondContact O-N 3.15Å; S445-W448 PolarHBondContact OG-N 2.95Å
446	K	56.5	Low	59.6	Low	158 Å²	158	97.4 Å²	97.4	69%	0.687	48%	0.482	S	S	*	.	H	α-helix	trans	-50.8	-29.9	171.4	-71.3	179.9	176.9	175.9	0	113	W448 Y450	K446-W448 VanDerWaalsContact C-N 3.33Å; K446-W448 PolarHBondContact O-N 3.44Å; K446-Y450 VanDerWaalsContact O-CD2 3.29Å; K446-Y450 WeakPolarHBondContact O-CD2 3.33Å; K446-Y450 WeakPolarHBondContact O-CE2 3.44Å
447	Y	61.7	Low	60	Low	190 Å²	190	96.4 Å²	96.4	75%	0.745	47%	0.467	S	S	*	.	H	α-helix	trans	-76.4	-27.7	179.7	-54.5	-75.3	0	0	0	113.5	S445 Y450 G451	S445-Y447 PolarHBondContact O-N 3.28Å; S445-Y447 VanDerWaalsContact O-N 3.11Å; S445-Y447 WeakPolarHBondContact OG-CB 3.17Å; S445-Y447 WeakPolarHBondContact OG-CD2 3.31Å; S445-Y447 PolarHBondContact OG-N 3.29Å; Y447-Y450 PolarHBondContact O-N 3.37Å; Y447-G451 PolarHBondContact O-N 3.02Å
448	W	62.3	Low	60.8	Low	169.5 Å²	169.5	97.4 Å²	97.4	64%	0.642	48%	0.475	S	S	*	.	H	α-helix	trans	-71.3	-35.6	-176.6	-128.2	37.8	0	0	0	112.6	W444 S445 K446 Y450 G451 L452	W444-W448 HydrophobicContact CE3-CB 3.92Å; W444-W448 HydrophobicContact CE3-CE3 4.12Å; W444-W448 HydrophobicContact CH2-CE3 4.18Å; W444-W448 HydrophobicContact CZ3-CB 4.38Å; W444-W448 AromaticContact CZ3-CE3 3.7Å; W444-W448 HydrophobicContact CZ3-CE3 3.7Å; W444-W448 HydrophobicContact CZ3-CZ3 4.46Å; S445-W448 PolarHBondContact O-N 3.15Å; S445-W448 PolarHBondContact OG-N 2.95Å; K446-W448 VanDerWaalsContact C-N 3.33Å; K446-W448 PolarHBondContact O-N 3.44Å; W448-Y450 VanDerWaalsContact C-N 3.31Å; W448-Y450 PolarHBondContact O-N 3.45Å; W448-G451 PolarHBondContact O-N 3.39Å; W448-L452 WeakPolarHBondContact O-CB 3.43Å; W448-L452 PolarHBondContact O-N 3.37Å
449	R	58.6	Low	61.7	Low	94 Å²	94	95.1 Å²	95.1	36%	0.355	47%	0.468	S	S	.	.	H	α-helix	trans	-57.2	-46.3	173.5	-68.5	-168.7	-175.8	170.7	8.6	111.3	G436 F438 D439 D441 L452 T453	G436-R449 PolarHBondContact O-NH1 2.94Å; F438-R449 VanDerWaalsContact C-NH2 3.31Å; F438-R449 PolarHBondContact O-NH2 3.26Å; D439-R449 IonicContact OD1-CZ 3.07Å; D439-R449 VanDerWaalsContact OD1-CZ 3.23Å; D439-R449 IonicContact OD1-NH1 3.13Å; D439-R449 PolarHBondContact OD1-NH1 3.18Å; D439-R449 IonicContact OD1-NH2 3.72Å; D439-R449 PolarHBondContact OD1-NH2 3.39Å; D441-R449 IonicContact OD1-CZ 3.51Å; D441-R449 IonicContact OD1-NH1 2.87Å; D441-R449 IonicContact OD1-NH2 3.19Å; D441-R449 PolarHBondContact OD1-NH2 2.7Å; R449-L452 PolarHBondContact O-N 2.89Å; R449-T453 PolarHBondContact O-N 2.94Å; R449-T453 VanDerWaalsContact O-N 3.17Å
450	Y	63.3	Low	62.3	Low	95 Å²	95	93.8 Å²	93.8	37%	0.373	46%	0.456	S	S	.	.	H	α-helix	trans	-71	-39.6	176.8	-59.9	-66.1	0	0	0	113	K446 Y447 W448 L452 T453 I454 Q543 A546	K446-Y450 VanDerWaalsContact O-CD2 3.29Å; K446-Y450 WeakPolarHBondContact O-CD2 3.33Å; K446-Y450 WeakPolarHBondContact O-CE2 3.44Å; Y447-Y450 PolarHBondContact O-N 3.37Å; W448-Y450 VanDerWaalsContact C-N 3.31Å; W448-Y450 PolarHBondContact O-N 3.45Å; Y450-L452 VanDerWaalsContact C-N 3.31Å; Y450-L452 PolarHBondContact O-N 3.13Å; Y450-T453 PolarHBondContact O-N 3.37Å; Y450-T453 PolarHBondContact O-OG1 3.21Å; Y450-T453 VanDerWaalsContact O-OG1 3.06Å; Y450-I454 WeakPolarHBondContact O-CB 3.43Å; Y450-I454 WeakPolarHBondContact O-CD1 3.43Å; Y450-I454 VanDerWaalsContact O-CG1 3.26Å; Y450-I454 WeakPolarHBondContact O-CG1 3.41Å; Y450-I454 PolarHBondContact O-N 3.21Å; Y450-I454 VanDerWaalsContact O-N 3.09Å; Y450-Q543 HydrophobicContact CD1-CG 3.83Å; Y450-Q543 HydrophobicContact CE1-CG 3.76Å; Y450-Q543 HydrophobicContact CG-CG 4.46Å; Y450-A546 WeakPolarHBondContact OH-CB 3.47Å
451	G	69.2	Low	63	Low	26 Å²	26	93.4 Å²	93.4	27%	0.268	45%	0.448	S	S	.	.	H	α-helix	trans	-57.7	-43.5	175.9	0	0	0	0	0	112.2	Y447 W448 T453 I454 I455	Y447-G451 PolarHBondContact O-N 3.02Å; W448-G451 PolarHBondContact O-N 3.39Å; G451-T453 PolarHBondContact O-N 2.95Å; G451-I454 PolarHBondContact O-N 3.42Å; G451-I455 WeakPolarHBondContact O-CB 3.3Å; G451-I455 WeakPolarHBondContact O-CD1 3.43Å; G451-I455 VanDerWaalsContact O-CG1 3.28Å; G451-I455 WeakPolarHBondContact O-CG1 3.43Å; G451-I455 PolarHBondContact O-N 3.14Å
452	L	67.4	Low	63.9	Low	51.5 Å²	51.5	90.8 Å²	90.8	27%	0.27	44%	0.437	S	S	.	.	H	α-helix	trans	-66.9	-39	179.3	-169.7	139.6	0	0	0	112.7	L435 W444 W448 R449 Y450 I454 I455 M456	L435-L452 HydrophobicContact CD1-CD1 4.21Å; L435-L452 HydrophobicContact CD1-CD2 3.83Å; W444-L452 HydrophobicContact CH2-CD1 4.09Å; W444-L452 HydrophobicContact CZ3-CD1 4.05Å; W448-L452 WeakPolarHBondContact O-CB 3.43Å; W448-L452 PolarHBondContact O-N 3.37Å; R449-L452 PolarHBondContact O-N 2.89Å; Y450-L452 VanDerWaalsContact C-N 3.31Å; Y450-L452 PolarHBondContact O-N 3.13Å; L452-I454 PolarHBondContact O-N 3.42Å; L452-I455 PolarHBondContact O-N 3.15Å; L452-M456 HydrophobicContact CD2-CG 4.32Å; L452-M456 WeakPolarHBondContact O-CB 3.28Å; L452-M456 VanDerWaalsContact O-CG 3.32Å; L452-M456 WeakPolarHBondContact O-CG 3.31Å; L452-M456 PolarHBondContact O-N 3.25Å
453	T	66.1	Low	64.6	Low	37.5 Å²	37.5	90.7 Å²	90.7	23%	0.23	43%	0.429	C	S	.	.	H	α-helix	trans	-65.1	-39.1	174.3	57.8	0	0	0	0	112.4	I432 R449 Y450 G451 S457 H539	I432-T453 HydrophobicContact CG2-CG2 4.25Å; R449-T453 PolarHBondContact O-N 2.94Å; R449-T453 VanDerWaalsContact O-N 3.17Å; Y450-T453 PolarHBondContact O-N 3.37Å; Y450-T453 PolarHBondContact O-OG1 3.21Å; Y450-T453 VanDerWaalsContact O-OG1 3.06Å; G451-T453 PolarHBondContact O-N 2.95Å; T453-S457 WeakPolarHBondContact O-CB 3.33Å; T453-S457 PolarHBondContact O-N 3.16Å; T453-S457 VanDerWaalsContact O-N 3.09Å; T453-H539 PolarHBondContact OG1-NE2 2.85Å
454	I	68	Low	65.1	Low	74 Å²	74	89 Å²	89	38%	0.379	42%	0.417	S	S	.	.	H	α-helix	trans	-66.5	-46.4	176.8	-67.8	166.3	0	0	0	110.6	Y450 G451 L452 M456 S457 I458	Y450-I454 WeakPolarHBondContact O-CB 3.43Å; Y450-I454 WeakPolarHBondContact O-CD1 3.43Å; Y450-I454 VanDerWaalsContact O-CG1 3.26Å; Y450-I454 WeakPolarHBondContact O-CG1 3.41Å; Y450-I454 PolarHBondContact O-N 3.21Å; Y450-I454 VanDerWaalsContact O-N 3.09Å; G451-I454 PolarHBondContact O-N 3.42Å; L452-I454 PolarHBondContact O-N 3.42Å; I454-M456 VanDerWaalsContact C-N 3.35Å; I454-M456 PolarHBondContact O-N 3.13Å; I454-S457 PolarHBondContact O-N 2.89Å; I454-I458 HydrophobicContact CG2-CD1 3.79Å; I454-I458 HydrophobicContact CG2-CG1 4.48Å; I454-I458 WeakPolarHBondContact O-CG1 3.4Å; I454-I458 PolarHBondContact O-N 3.19Å
455	I	73.6	Confident	65.6	Low	109 Å²	109	83.6 Å²	83.6	56%	0.559	40%	0.4	S	S	*	.	H	α-helix	trans	-59.6	-45.7	177.8	-70.6	163.8	0	0	0	111.1	G451 L452 S457 I458 L459	G451-I455 WeakPolarHBondContact O-CB 3.3Å; G451-I455 WeakPolarHBondContact O-CD1 3.43Å; G451-I455 VanDerWaalsContact O-CG1 3.28Å; G451-I455 WeakPolarHBondContact O-CG1 3.43Å; G451-I455 PolarHBondContact O-N 3.14Å; L452-I455 PolarHBondContact O-N 3.15Å; I455-S457 VanDerWaalsContact C-N 3.32Å; I455-S457 PolarHBondContact O-N 3.22Å; I455-I458 PolarHBondContact O-N 3.14Å; I455-L459 WeakPolarHBondContact O-CB 3.37Å; I455-L459 PolarHBondContact O-N 3.05Å
456	M	66.2	Low	66.1	Low	62.5 Å²	62.5	84.5 Å²	84.5	31%	0.308	40%	0.403	S	S	.	.	H	α-helix	trans	-64.3	-37.4	177.3	-71.4	-64.3	-172	0	0	112.4	I428 I432 L452 I454 L459 Y460	I428-M456 HydrophobicContact CG2-CB 4.3Å; I432-M456 HydrophobicContact CD1-CB 4.32Å; I432-M456 HydrophobicContact CD1-CG 4.02Å; L452-M456 HydrophobicContact CD2-CG 4.32Å; L452-M456 WeakPolarHBondContact O-CB 3.28Å; L452-M456 VanDerWaalsContact O-CG 3.32Å; L452-M456 WeakPolarHBondContact O-CG 3.31Å; L452-M456 PolarHBondContact O-N 3.25Å; I454-M456 VanDerWaalsContact C-N 3.35Å; I454-M456 PolarHBondContact O-N 3.13Å; M456-L459 PolarHBondContact O-N 3.24Å; M456-L459 HydrophobicContact SD-CD2 4.37Å; M456-Y460 WeakPolarHBondContact O-CB 3.44Å; M456-Y460 PolarHBondContact O-N 3.46Å
457	S	66.6	Low	66.3	Low	26 Å²	26	79.2 Å²	79.2	18%	0.182	38%	0.382	C	S	.	.	H	α-helix	trans	-67.8	-35	175.7	-168.4	0	0	0	0	112.9	T453 I454 I455 F461 I535	T453-S457 WeakPolarHBondContact O-CB 3.33Å; T453-S457 PolarHBondContact O-N 3.16Å; T453-S457 VanDerWaalsContact O-N 3.09Å; I454-S457 PolarHBondContact O-N 2.89Å; I455-S457 VanDerWaalsContact C-N 3.32Å; I455-S457 PolarHBondContact O-N 3.22Å; S457-F461 PolarHBondContact O-N 3.01Å; S457-F461 VanDerWaalsContact O-N 3.13Å; S457-I535 VanDerWaalsContact OG-CG2 3.3Å; S457-I535 WeakPolarHBondContact OG-CG2 3.21Å
458	I	71.9	Confident	66.1	Low	98.5 Å²	98.5	73.9 Å²	73.9	51%	0.505	36%	0.361	S	S	.	.	H	α-helix	trans	-70.3	-43.6	173.9	-67.8	166.2	0	0	0	110.1	I454 I455 Y460 F461 V462	I454-I458 HydrophobicContact CG2-CD1 3.79Å; I454-I458 HydrophobicContact CG2-CG1 4.48Å; I454-I458 WeakPolarHBondContact O-CG1 3.4Å; I454-I458 PolarHBondContact O-N 3.19Å; I455-I458 PolarHBondContact O-N 3.14Å; I458-Y460 VanDerWaalsContact C-N 3.31Å; I458-Y460 PolarHBondContact O-N 2.84Å; I458-F461 WeakPolarHBondContact O-CB 3.49Å; I458-F461 PolarHBondContact O-N 2.97Å; I458-F461 VanDerWaalsContact O-N 3.14Å; I458-V462 HydrophobicContact CG2-CG2 4.47Å; I458-V462 WeakPolarHBondContact O-CG2 3.33Å; I458-V462 PolarHBondContact O-N 3.03Å
459	L	73.3	Confident	66	Low	83 Å²	83	67.1 Å²	67.1	44%	0.435	34%	0.344	S	S	.	.	H	α-helix	trans	-60.5	-42.1	177.1	-178.2	61.4	0	0	0	111.7	I455 M456 V462 L463	I455-L459 WeakPolarHBondContact O-CB 3.37Å; I455-L459 PolarHBondContact O-N 3.05Å; M456-L459 PolarHBondContact O-N 3.24Å; M456-L459 HydrophobicContact SD-CD2 4.37Å; L459-V462 PolarHBondContact O-N 3.37Å; L459-L463 HydrophobicContact CD1-CD1 4.22Å; L459-L463 HydrophobicContact CD1-CG 4.28Å; L459-L463 HydrophobicContact CG-CD1 3.99Å; L459-L463 HydrophobicContact CG-CG 4.47Å; L459-L463 WeakPolarHBondContact O-CB 3.47Å; L459-L463 VanDerWaalsContact O-CG 3.31Å; L459-L463 WeakPolarHBondContact O-CG 3.4Å; L459-L463 PolarHBondContact O-N 3.37Å
460	Y	66.4	Low	65.9	Low	75 Å²	75	68 Å²	68	29%	0.294	36%	0.355	S	S	.	.	H	α-helix	trans	-59.2	-46.5	172.5	173.4	-103.8	0	0	0	112.2	I421 W425 M456 I458 V462 L463 F464	I421-Y460 HydrophobicContact CG2-CE2 4.02Å; W425-Y460 AromaticContact CD1-CD2 3.91Å; W425-Y460 AromaticContact CD1-CE2 3.95Å; W425-Y460 HydrophobicContact CZ2-CE2 4.46Å; W425-Y460 AromaticContact NE1-CD2 3.17Å; W425-Y460 AromaticContact NE1-CE2 3.21Å; M456-Y460 WeakPolarHBondContact O-CB 3.44Å; M456-Y460 PolarHBondContact O-N 3.46Å; I458-Y460 VanDerWaalsContact C-N 3.31Å; I458-Y460 PolarHBondContact O-N 2.84Å; Y460-V462 VanDerWaalsContact C-N 3.34Å; Y460-V462 PolarHBondContact O-N 3.25Å; Y460-L463 PolarHBondContact O-N 3.21Å; Y460-F464 WeakPolarHBondContact O-CB 3.42Å; Y460-F464 PolarHBondContact O-N 3.15Å
461	F	65.7	Low	65.5	Low	64 Å²	64	66.1 Å²	66.1	28%	0.281	35%	0.354	S	S	.	.	H	α-helix	trans	-61	-41.3	177.1	-178.1	-94.7	0	0	0	112.1	S457 I458 N465 W525 N528 L532	S457-F461 PolarHBondContact O-N 3.01Å; S457-F461 VanDerWaalsContact O-N 3.13Å; I458-F461 WeakPolarHBondContact O-CB 3.49Å; I458-F461 PolarHBondContact O-N 2.97Å; I458-F461 VanDerWaalsContact O-N 3.14Å; F461-N465 WeakPolarHBondContact CE1-ND2 3.45Å; F461-N465 WeakPolarHBondContact CE2-ND2 3.42Å; F461-N465 VanDerWaalsContact CZ-ND2 3.33Å; F461-N465 WeakPolarHBondContact CZ-ND2 3.48Å; F461-N465 WeakPolarHBondContact O-CB 3.49Å; F461-N465 PolarHBondContact O-N 3.23Å; F461-N465 VanDerWaalsContact O-N 3.13Å; F461-N465 PolarHBondContact O-ND2 2.98Å; F461-W525 AromaticContact CZ-CH2 3.9Å; F461-W525 HydrophobicContact CZ-CH2 3.9Å; F461-W525 HydrophobicContact CZ-CZ3 4.05Å; F461-N528 HydrophobicContact CE2-CB 4.16Å; F461-N528 HydrophobicContact CZ-CB 4.48Å; F461-L532 HydrophobicContact CB-CD1 4.16Å; F461-L532 HydrophobicContact CD1-CD1 4.38Å; F461-L532 HydrophobicContact CD2-CD1 3.55Å; F461-L532 HydrophobicContact CE2-CD1 3.97Å; F461-L532 HydrophobicContact CG-CD1 3.78Å
462	V	70.7	Confident	64.6	Low	73 Å²	73	68.7 Å²	68.7	44%	0.442	36%	0.359	S	S	.	.	H	α-helix	trans	-64.1	-50.7	175	172.8	0	0	0	0	110.9	I458 L459 Y460 F464 N465 V466	I458-V462 HydrophobicContact CG2-CG2 4.47Å; I458-V462 WeakPolarHBondContact O-CG2 3.33Å; I458-V462 PolarHBondContact O-N 3.03Å; L459-V462 PolarHBondContact O-N 3.37Å; Y460-V462 VanDerWaalsContact C-N 3.34Å; Y460-V462 PolarHBondContact O-N 3.25Å; V462-F464 VanDerWaalsContact C-N 3.34Å; V462-F464 PolarHBondContact O-N 3.32Å; V462-N465 PolarHBondContact O-N 3.23Å; V462-V466 HydrophobicContact CG1-CG2 4.16Å; V462-V466 WeakPolarHBondContact O-CB 3.42Å; V462-V466 VanDerWaalsContact O-CG2 3.27Å; V462-V466 WeakPolarHBondContact O-CG2 3.41Å; V462-V466 PolarHBondContact O-N 3.13Å
463	L	67.3	Low	63.7	Low	91.5 Å²	91.5	73 Å²	73	48%	0.479	38%	0.376	S	S	.	.	H	α-helix	trans	-60.9	-40.3	-179.3	-72.5	170.3	0	0	0	112.5	L424 L459 Y460 V466 N467	L424-L463 HydrophobicContact CD2-CD1 4.04Å; L459-L463 HydrophobicContact CD1-CD1 4.22Å; L459-L463 HydrophobicContact CD1-CG 4.28Å; L459-L463 HydrophobicContact CG-CD1 3.99Å; L459-L463 HydrophobicContact CG-CG 4.47Å; L459-L463 WeakPolarHBondContact O-CB 3.47Å; L459-L463 VanDerWaalsContact O-CG 3.31Å; L459-L463 WeakPolarHBondContact O-CG 3.4Å; L459-L463 PolarHBondContact O-N 3.37Å; Y460-L463 PolarHBondContact O-N 3.21Å; L463-V466 PolarHBondContact O-N 3.18Å; L463-N467 WeakPolarHBondContact O-CB 3.35Å; L463-N467 PolarHBondContact O-N 3.01Å
464	F	63.3	Low	62.8	Low	75.5 Å²	75.5	76.2 Å²	76.2	33%	0.331	39%	0.388	S	S	.	.	H	α-helix	trans	-64.8	-46.7	177.4	-171.6	-100.3	0	0	0	111.9	I421 Y460 V462 N467 Y468 L524	I421-F464 HydrophobicContact CD1-CD2 4.5Å; Y460-F464 WeakPolarHBondContact O-CB 3.42Å; Y460-F464 PolarHBondContact O-N 3.15Å; V462-F464 VanDerWaalsContact C-N 3.34Å; V462-F464 PolarHBondContact O-N 3.32Å; F464-N467 PolarHBondContact O-N 3.02Å; F464-Y468 WeakPolarHBondContact O-CB 3.43Å; F464-Y468 PolarHBondContact O-N 3.1Å; F464-L524 HydrophobicContact CE1-CD1 4.46Å
465	N	62.8	Low	61.9	Low	43.5 Å²	43.5	76.2 Å²	76.2	23%	0.233	39%	0.391	C	S	.	.	H	α-helix	trans	-68	-34.6	177.2	-76.3	-77.1	0	0	0	112.6	F461 V462 G469 N528	F461-N465 WeakPolarHBondContact CE1-ND2 3.45Å; F461-N465 WeakPolarHBondContact CE2-ND2 3.42Å; F461-N465 VanDerWaalsContact CZ-ND2 3.33Å; F461-N465 WeakPolarHBondContact CZ-ND2 3.48Å; F461-N465 WeakPolarHBondContact O-CB 3.49Å; F461-N465 PolarHBondContact O-N 3.23Å; F461-N465 VanDerWaalsContact O-N 3.13Å; F461-N465 PolarHBondContact O-ND2 2.98Å; V462-N465 PolarHBondContact O-N 3.23Å; N465-G469 PolarHBondContact O-N 3.11Å; N465-N528 PolarHBondContact OD1-ND2 3.43Å
466	V	66.2	Low	60.6	Low	77.5 Å²	77.5	75.2 Å²	75.2	47%	0.47	39%	0.39	S	S	.	.	H	α-helix	trans	-67.7	-43.9	174.8	168.1	0	0	0	0	111.2	V462 L463 G469 L470	V462-V466 HydrophobicContact CG1-CG2 4.16Å; V462-V466 WeakPolarHBondContact O-CB 3.42Å; V462-V466 VanDerWaalsContact O-CG2 3.27Å; V462-V466 WeakPolarHBondContact O-CG2 3.41Å; V462-V466 PolarHBondContact O-N 3.13Å; L463-V466 PolarHBondContact O-N 3.18Å; V466-G469 PolarHBondContact O-N 3.21Å; V466-L470 HydrophobicContact CG1-CD1 3.9Å; V466-L470 HydrophobicContact CG1-CG 4.45Å; V466-L470 WeakPolarHBondContact O-CG 3.36Å; V466-L470 PolarHBondContact O-N 2.91Å
467	N	61.1	Low	59.8	Low	47 Å²	47	76.4 Å²	76.4	25%	0.251	40%	0.397	S	S	.	.	H	α-helix	trans	-68.3	-39.1	178.2	-162.6	24.8	0	0	0	111.9	I421 L463 F464 G469 L470 T471	I421-N467 WeakPolarHBondContact CD1-ND2 3.24Å; L463-N467 WeakPolarHBondContact O-CB 3.35Å; L463-N467 PolarHBondContact O-N 3.01Å; F464-N467 PolarHBondContact O-N 3.02Å; N467-G469 VanDerWaalsContact C-N 3.32Å; N467-G469 PolarHBondContact O-N 3.24Å; N467-L470 PolarHBondContact O-N 3.01Å; N467-T471 WeakPolarHBondContact O-CB 3.44Å; N467-T471 WeakPolarHBondContact O-CG2 3.28Å; N467-T471 PolarHBondContact O-N 3.33Å; N467-T471 PolarHBondContact O-OG1 3.23Å
468	Y	59.1	Low	58.6	Low	77.5 Å²	77.5	81.5 Å²	81.5	30%	0.304	42%	0.416	S	S	.	.	H	α-helix	trans	-61.2	-41.3	170.3	-172.3	-90.9	0	0	0	111.6	F464 T471 H472 L524	F464-Y468 WeakPolarHBondContact O-CB 3.43Å; F464-Y468 PolarHBondContact O-N 3.1Å; Y468-T471 WeakPolarHBondContact CA-OG1 3.26Å; Y468-T471 PolarHBondContact O-OG1 2.83Å; Y468-H472 AromaticContact CE1-CD2 3.61Å; Y468-H472 AromaticContact CZ-CD2 3.65Å; Y468-H472 WeakPolarHBondContact O-CB 3.46Å; Y468-H472 PolarHBondContact O-N 3.25Å; Y468-H472 VanDerWaalsContact O-N 3.12Å; Y468-H472 PolarHBondContact OH-CD2 3.3Å; Y468-L524 HydrophobicContact CD1-CD1 3.86Å; Y468-L524 HydrophobicContact CD1-CD2 3.74Å; Y468-L524 HydrophobicContact CD1-CG 4.37Å; Y468-L524 HydrophobicContact CD2-CD1 3.88Å; Y468-L524 HydrophobicContact CD2-CD2 4.36Å; Y468-L524 HydrophobicContact CE1-CB 4.33Å; Y468-L524 HydrophobicContact CE1-CD1 3.96Å; Y468-L524 HydrophobicContact CE1-CD2 3.64Å; Y468-L524 HydrophobicContact CE1-CG 4.17Å; Y468-L524 HydrophobicContact CE2-CD1 3.79Å; Y468-L524 HydrophobicContact CE2-CD2 4.11Å; Y468-L524 HydrophobicContact CG-CD1 3.82Å
469	G	58.8	Low	57.2	Low	27 Å²	27	83.6 Å²	83.6	28%	0.278	42%	0.422	S	S	.	.	H	α-helix	trans	-60.3	-50.8	174.7	0	0	0	0	0	112.9	N465 V466 N467 H472 F473	N465-G469 PolarHBondContact O-N 3.11Å; V466-G469 PolarHBondContact O-N 3.21Å; N467-G469 VanDerWaalsContact C-N 3.32Å; N467-G469 PolarHBondContact O-N 3.24Å; G469-H472 PolarHBondContact O-N 3.17Å; G469-F473 WeakPolarHBondContact O-CB 3.37Å; G469-F473 WeakPolarHBondContact O-CD2 3.34Å; G469-F473 PolarHBondContact O-N 3.46Å
470	L	57.4	Low	55.8	Low	112.5 Å²	112.5	82.2 Å²	82.2	59%	0.589	42%	0.419	S	S	*	.	H	α-helix	trans	-61.3	-50.4	180	-73.7	165.7	0	0	0	112.2	V466 N467 H472 F473 E474	V466-L470 HydrophobicContact CG1-CD1 3.9Å; V466-L470 HydrophobicContact CG1-CG 4.45Å; V466-L470 WeakPolarHBondContact O-CG 3.36Å; V466-L470 PolarHBondContact O-N 2.91Å; N467-L470 PolarHBondContact O-N 3.01Å; L470-H472 VanDerWaalsContact C-N 3.34Å; L470-H472 PolarHBondContact O-N 3.47Å; L470-F473 PolarHBondContact O-N 3.04Å; L470-E474 PolarHBondContact O-N 3.4Å
471	T	54.5	Low	54.5	Low	55.5 Å²	55.5	84.3 Å²	84.3	34%	0.34	44%	0.435	S	S	.	.	H	α-helix	trans	-61.8	-39.8	179.5	49.2	0	0	0	0	112.1	N467 Y468	N467-T471 WeakPolarHBondContact O-CB 3.44Å; N467-T471 WeakPolarHBondContact O-CG2 3.28Å; N467-T471 PolarHBondContact O-N 3.33Å; N467-T471 PolarHBondContact O-OG1 3.23Å; Y468-T471 WeakPolarHBondContact CA-OG1 3.26Å; Y468-T471 PolarHBondContact O-OG1 2.83Å
472	H	51.2	Low	53.4	Low	80.5 Å²	80.5	90.1 Å²	90.1	37%	0.373	46%	0.46	S	S	.	.	H	α-helix	trans	-75	-32.1	176.3	-123.7	-44.9	0	0	0	113.3	Y468 G469 L470 E474 T475 V476	Y468-H472 AromaticContact CE1-CD2 3.61Å; Y468-H472 AromaticContact CZ-CD2 3.65Å; Y468-H472 WeakPolarHBondContact O-CB 3.46Å; Y468-H472 PolarHBondContact O-N 3.25Å; Y468-H472 VanDerWaalsContact O-N 3.12Å; Y468-H472 PolarHBondContact OH-CD2 3.3Å; G469-H472 PolarHBondContact O-N 3.17Å; L470-H472 VanDerWaalsContact C-N 3.34Å; L470-H472 PolarHBondContact O-N 3.47Å; H472-E474 VanDerWaalsContact C-N 3.34Å; H472-E474 PolarHBondContact O-N 3.37Å; H472-T475 PolarHBondContact ND1-OG1 3.44Å; H472-T475 PolarHBondContact O-N 3.16Å; H472-T475 VanDerWaalsContact O-N 3.11Å; H472-T475 PolarHBondContact O-OG1 3.12Å; H472-V476 WeakPolarHBondContact O-CG2 3.25Å; H472-V476 PolarHBondContact O-N 3.02Å; H472-V476 VanDerWaalsContact O-N 3.15Å
473	F	47.6	Very low	52.1	Low	142 Å²	142	92.4 Å²	92.4	62%	0.623	47%	0.469	S	S	*	.	H	α-helix	trans	-59.5	-42.9	177.9	-111.3	-82.3	0	0	0	112.2	G469 L470 T475 V476 I477	G469-F473 WeakPolarHBondContact O-CB 3.37Å; G469-F473 WeakPolarHBondContact O-CD2 3.34Å; G469-F473 PolarHBondContact O-N 3.46Å; L470-F473 PolarHBondContact O-N 3.04Å; F473-T475 VanDerWaalsContact C-N 3.33Å; F473-T475 PolarHBondContact O-N 3.15Å; F473-V476 PolarHBondContact O-N 2.9Å; F473-V476 VanDerWaalsContact O-N 3.17Å; F473-I477 HydrophobicContact CD1-CD1 4.21Å; F473-I477 WeakPolarHBondContact O-CG1 3.36Å; F473-I477 PolarHBondContact O-N 2.88Å
474	E	47.6	Very low	50.7	Low	106 Å²	106	94.5 Å²	94.5	50%	0.495	48%	0.48	S	S	.	.	H	α-helix	trans	-58.7	-42.7	173.6	-80.9	-144.7	154.9	0	0	112.5	L470 H472 V476 I477 K478	L470-E474 PolarHBondContact O-N 3.4Å; H472-E474 VanDerWaalsContact C-N 3.34Å; H472-E474 PolarHBondContact O-N 3.37Å; E474-V476 VanDerWaalsContact C-N 3.29Å; E474-V476 PolarHBondContact O-N 3.42Å; E474-I477 PolarHBondContact O-N 2.98Å; E474-K478 VanDerWaalsContact O-CB 3.31Å; E474-K478 WeakPolarHBondContact O-CB 3.36Å; E474-K478 WeakPolarHBondContact O-CD 3.19Å; E474-K478 VanDerWaalsContact O-CG 3.31Å; E474-K478 WeakPolarHBondContact O-CG 3.33Å; E474-K478 PolarHBondContact O-N 3.14Å; E474-K478 WeakPolarHBondContact OE1-CE 3.38Å; E474-K478 IonicContact OE1-NZ 2.82Å; E474-K478 PolarHBondContact OE1-NZ 2.9Å; E474-K478 IonicContact OE2-NZ 2.68Å; E474-K478 PolarHBondContact OE2-NZ 3.16Å
475	T	48.9	Very low	49.5	Very low	73 Å²	73	97.8 Å²	97.8	45%	0.448	50%	0.502	S	S	.	.	H	α-helix	trans	-66	-29.3	178.6	67.5	0	0	0	0	112.7	H472 F473 K479	H472-T475 PolarHBondContact ND1-OG1 3.44Å; H472-T475 PolarHBondContact O-N 3.16Å; H472-T475 VanDerWaalsContact O-N 3.11Å; H472-T475 PolarHBondContact O-OG1 3.12Å; F473-T475 VanDerWaalsContact C-N 3.33Å; F473-T475 PolarHBondContact O-N 3.15Å; T475-K479 VanDerWaalsContact O-CB 3.24Å; T475-K479 WeakPolarHBondContact O-CB 3.31Å; T475-K479 PolarHBondContact O-N 3.44Å; T475-K479 VanDerWaalsContact O-N 3.08Å
476	V	47.1	Very low	48.3	Very low	88 Å²	88	101.4 Å²	101.4	53%	0.533	53%	0.525	S	S	.	.	H	α-helix	trans	-77	-44.2	176.9	174.2	0	0	0	0	110.6	H472 F473 E474 K479 S480	H472-V476 WeakPolarHBondContact O-CG2 3.25Å; H472-V476 PolarHBondContact O-N 3.02Å; H472-V476 VanDerWaalsContact O-N 3.15Å; F473-V476 PolarHBondContact O-N 2.9Å; F473-V476 VanDerWaalsContact O-N 3.17Å; E474-V476 VanDerWaalsContact C-N 3.29Å; E474-V476 PolarHBondContact O-N 3.42Å; V476-K479 CarbonylContact O-C 3.48Å; V476-K479 PolarHBondContact O-N 3.34Å; V476-K479 VanDerWaalsContact O-N 3.09Å; V476-S480 PolarHBondContact O-N 3.15Å; V476-S480 PolarHBondContact O-OG 3.18Å
477	I	47.6	Very low	46.7	Very low	88.5 Å²	88.5	104.1 Å²	104.1	45%	0.454	54%	0.537	S	S	.	.	H	α-helix	trans	-64.5	-42.7	177.8	-66.3	165.5	0	0	0	111.1	F473 E474 K479 S480 N481	F473-I477 HydrophobicContact CD1-CD1 4.21Å; F473-I477 WeakPolarHBondContact O-CG1 3.36Å; F473-I477 PolarHBondContact O-N 2.88Å; E474-I477 PolarHBondContact O-N 2.98Å; I477-K479 PolarHBondContact O-N 3.25Å; I477-S480 PolarHBondContact O-N 3.41Å; I477-S480 PolarHBondContact O-OG 3.46Å; I477-N481 WeakPolarHBondContact O-CB 3.44Å; I477-N481 PolarHBondContact O-N 3.16Å; I477-N481 PolarHBondContact O-OD1 3.14Å
478	K	43.3	Very low	45.3	Very low	132.5 Å²	132.5	109 Å²	109	58%	0.576	57%	0.569	S	S	*	*	H	α-helix	trans	-65.6	-21.3	174.4	-71.1	167.2	-178.7	164.6	0	112.5	E474	E474-K478 VanDerWaalsContact O-CB 3.31Å; E474-K478 WeakPolarHBondContact O-CB 3.36Å; E474-K478 WeakPolarHBondContact O-CD 3.19Å; E474-K478 VanDerWaalsContact O-CG 3.31Å; E474-K478 WeakPolarHBondContact O-CG 3.33Å; E474-K478 PolarHBondContact O-N 3.14Å; E474-K478 WeakPolarHBondContact OE1-CE 3.38Å; E474-K478 IonicContact OE1-NZ 2.82Å; E474-K478 PolarHBondContact OE1-NZ 2.9Å; E474-K478 IonicContact OE2-NZ 2.68Å; E474-K478 PolarHBondContact OE2-NZ 3.16Å
479	K	40.6	Very low	44.1	Very low	143.5 Å²	143.5	108.8 Å²	108.8	62%	0.624	59%	0.59	S	S	*	*	H	α-helix	trans	-94.4	-30.4	178.8	-162.8	167.3	-172	173	0	113.8	T475 V476 I477 N481 F482 I483	T475-K479 VanDerWaalsContact O-CB 3.24Å; T475-K479 WeakPolarHBondContact O-CB 3.31Å; T475-K479 PolarHBondContact O-N 3.44Å; T475-K479 VanDerWaalsContact O-N 3.08Å; V476-K479 CarbonylContact O-C 3.48Å; V476-K479 PolarHBondContact O-N 3.34Å; V476-K479 VanDerWaalsContact O-N 3.09Å; I477-K479 PolarHBondContact O-N 3.25Å; K479-N481 VanDerWaalsContact C-N 3.33Å; K479-F482 PolarHBondContact O-N 3.16Å; K479-I483 HydrophobicContact CG-CD1 4.39Å; K479-I483 WeakPolarHBondContact O-CD1 3.43Å; K479-I483 WeakPolarHBondContact O-CG1 3.33Å
480	S	44.1	Very low	42.9	Very low	53.5 Å²	53.5	113.4 Å²	113.4	37%	0.374	61%	0.613	S	S	.	*	H	α-helix	trans	-66.7	-39.7	170.8	55.3	0	0	0	0	111.7	V476 I477 F482 I483	V476-S480 PolarHBondContact O-N 3.15Å; V476-S480 PolarHBondContact O-OG 3.18Å; I477-S480 PolarHBondContact O-N 3.41Å; I477-S480 PolarHBondContact O-OG 3.46Å; S480-F482 PolarHBondContact O-N 3.2Å; S480-F482 VanDerWaalsContact O-N 3.17Å; S480-I483 PolarHBondContact O-N 3.23Å; S480-I483 VanDerWaalsContact O-N 3.16Å
481	N	40.2	Very low	41.7	Very low	119 Å²	119	114.3 Å²	114.3	64%	0.636	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-6.9	-177	-63.5	7.8	0	0	0	113.2	I477 K479	I477-N481 WeakPolarHBondContact O-CB 3.44Å; I477-N481 PolarHBondContact O-N 3.16Å; I477-N481 PolarHBondContact O-OD1 3.14Å; K479-N481 VanDerWaalsContact C-N 3.33Å
482	F	41.3	Very low	40.7	Very low	185.5 Å²	185.5	121.7 Å²	121.7	81%	0.814	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	1.5	178	-141.9	-90.1	0	0	0	113.3	K479 S480	K479-F482 PolarHBondContact O-N 3.16Å; S480-F482 PolarHBondContact O-N 3.2Å; S480-F482 VanDerWaalsContact O-N 3.17Å
483	I	45.1	Very low	39.9	Very low	121.5 Å²	121.5	124.2 Å²	124.2	62%	0.623	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	-14.4	-174	-69.6	171.5	0	0	0	112.6	K479 S480 N485	K479-I483 HydrophobicContact CG-CD1 4.39Å; K479-I483 WeakPolarHBondContact O-CD1 3.43Å; K479-I483 WeakPolarHBondContact O-CG1 3.33Å; S480-I483 PolarHBondContact O-N 3.23Å; S480-I483 VanDerWaalsContact O-N 3.16Å; I483-N485 PolarHBondContact O-N 3.13Å
484	N	37.9	Very low	39.1	Very low	134 Å²	134	124.5 Å²	124.5	72%	0.717	66%	0.663	S	S	*	*	S	Bend	trans	-92.9	6.4	-170.1	-72.2	4.1	0	0	0	115.7
485	N	37.2	Very low	38.3	Very low	146 Å²	146	127.3 Å²	127.3	78%	0.781	67%	0.674	S	S	*	*	S	Bend	trans	-110.3	91	-179.3	-77.8	6.5	0	0	0	112.5	I483	I483-N485 PolarHBondContact O-N 3.13Å
486	T	36.8	Very low	37.6	Very low	119 Å²	119	129.5 Å²	129.5	73%	0.73	69%	0.687	S	S	*	*			trans	127	98.1	149.2	41.9	0	0	0	0	115.5
487	D	33.1	Very low	36.7	Very low	134 Å²	134	131.9 Å²	131.9	72%	0.717	70%	0.697	S	S	*	*				57.5	123.5	124.9	-56.7	-25.8	0	0	0	123.4
488	T	33	Very low	36	Very low	150 Å²	150	133 Å²	133	92%	0.92	71%	0.713	S	S	*	*			trans	67	128.3	153.2	64	0	0	0	0	119.2
489	G	33.3	Very low	35.4	Very low	73 Å²	73	131.7 Å²	131.7	75%	0.753	72%	0.72	S	S	*	*			trans	150.4	54.3	165.1	0	0	0	0	0	117.6
490	T	33.7	Very low	35.1	Very low	124.5 Å²	124.5	132 Å²	132	76%	0.764	73%	0.728	S	S	*	*			trans	-6.4	134.6	169.6	50.7	0	0	0	0	119.9
491	N	32.4	Very low	34.6	Very low	131.5 Å²	131.5	133.3 Å²	133.3	70%	0.703	74%	0.736	S	S	*	*	S	Bend	trans	88.8	131.4	148.1	-59.6	-21.3	0	0	0	120.9
492	Y	32.7	Very low	34.6	Very low	210 Å²	210	130.7 Å²	130.7	82%	0.824	73%	0.726	S	S	*	*			trans	67.3	86.9	163.8	-66.3	-80.9	0	0	0	118.1	I494	Y492-I494 PolarHBondContact O-N 3.25Å
493	I	33.7	Very low	34.5	Very low	134 Å²	134	129.3 Å²	129.3	69%	0.687	72%	0.722	S	S	*	*				52.9	95.3	78.3	-49.5	173.6	0	0	0	114.9	F495	I493-F495 VanDerWaalsContact C-N 3.29Å; I493-F495 HydrophobicContact CG2-CD2 3.58Å; I493-F495 HydrophobicContact CG2-CE2 3.91Å; I493-F495 PolarHBondContact O-N 3.47Å
494	I	31.5	Very low	34.7	Very low	147 Å²	147	132.7 Å²	132.7	75%	0.754	73%	0.727	S	S	*	*			trans	-1.7	122.1	155.8	-55.2	174.1	0	0	0	113.8	Y492 V496	Y492-I494 PolarHBondContact O-N 3.25Å; I494-V496 PolarHBondContact O-N 3.38Å
495	F	31.4	Very low	35.1	Very low	165.5 Å²	165.5	130.3 Å²	130.3	73%	0.726	71%	0.713	S	S	*	*			trans	7.2	116	170.7	-80.8	-81	0	0	0	112	I493 N497	I493-F495 VanDerWaalsContact C-N 3.29Å; I493-F495 HydrophobicContact CG2-CD2 3.58Å; I493-F495 HydrophobicContact CG2-CE2 3.91Å; I493-F495 PolarHBondContact O-N 3.47Å; F495-N497 PolarHBondContact O-N 3.38Å
496	V	33.3	Very low	35.4	Very low	118 Å²	118	130.2 Å²	130.2	72%	0.715	71%	0.708	S	S	*	*				15.4	120.3	104.1	177.1	0	0	0	0	111.3	I494 S498	I494-V496 PolarHBondContact O-N 3.38Å; V496-S498 VanDerWaalsContact C-N 3.34Å; V496-S498 PolarHBondContact O-N 3.21Å
497	N	28.3	Very low	35.5	Very low	140 Å²	140	131.7 Å²	131.7	75%	0.749	70%	0.704	S	S	*	*			trans	1.3	93.6	178	-77.8	-28	0	0	0	116.5	F495 S499	F495-N497 PolarHBondContact O-N 3.38Å; N497-S499 PolarHBondContact O-N 3.5Å; N497-S499 PolarHBondContact O-OG 2.86Å; N497-S499 VanDerWaalsContact O-OG 3.09Å
498	S	32.3	Very low	36.1	Very low	112 Å²	112	128.8 Å²	128.8	78%	0.783	70%	0.699	S	S	*	*			trans	-1.6	99.4	149.3	51.5	0	0	0	0	116	V496 L500	V496-S498 VanDerWaalsContact C-N 3.34Å; V496-S498 PolarHBondContact O-N 3.21Å; S498-L500 VanDerWaalsContact C-N 3.34Å; S498-L500 PolarHBondContact O-N 3.39Å
499	S	32.3	Very low	36.4	Very low	104.5 Å²	104.5	126.2 Å²	126.2	73%	0.731	68%	0.683	S	S	*	*			trans	-4.6	120	-174.3	63.7	0	0	0	0	114.9	N497	N497-S499 PolarHBondContact O-N 3.5Å; N497-S499 PolarHBondContact O-OG 2.86Å; N497-S499 VanDerWaalsContact O-OG 3.09Å
500	L	34.6	Very low	36.6	Very low	150 Å²	150	131.2 Å²	131.2	79%	0.785	69%	0.691	S	S	*	*			trans	-21.9	41.2	173.7	-75	159.4	0	0	0	115.8	S498	S498-L500 VanDerWaalsContact C-N 3.34Å; S498-L500 PolarHBondContact O-N 3.39Å
501	C	33.1	Very low	37.1	Very low	80 Å²	80	132.1 Å²	132.1	54%	0.541	69%	0.69	S	S	.	*	S	Bend	trans	-20.9	116.7	149.8	-162.6	0	0	0	0	115	Q503	C501-Q503 PolarHBondContact O-N 3.46Å
502	P	39.5	Very low	37.3	Very low	65 Å²	65	132.7 Å²	132.7	42%	0.422	69%	0.688	S	S	.	*			trans	-68.4	128.5	177.7	4.8	-0.6	0	0	0	112.3	W504 I505	P502-W504 VanDerWaalsContact CB-CD1 3.44Å; P502-W504 HydrophobicContact CB-CG 4.39Å; P502-W504 VanDerWaalsContact CB-NE1 3.25Å; P502-W504 PolarHBondContact O-N 3.24Å; P502-I505 HydrophobicContact CB-CD1 4.35Å; P502-I505 HydrophobicContact CG-CD1 4.08Å; P502-I505 HydrophobicContact CG-CG1 4.2Å; P502-I505 PolarHBondContact O-N 3.22Å
503	Q	39.3	Very low	37.8	Very low	156.5 Å²	156.5	127.2 Å²	127.2	73%	0.731	68%	0.678	S	S	*	*	H	α-helix	trans	-58.7	-17.6	-169.2	-67.9	179	-12.5	0	0	115.9	C501 I505 Q506 K507	C501-Q503 PolarHBondContact O-N 3.46Å; Q503-I505 VanDerWaalsContact C-N 3.31Å; Q503-Q506 PolarHBondContact O-N 3.01Å; Q503-K507 PolarHBondContact O-N 3.47Å
504	W	48.8	Very low	38.5	Very low	192 Å²	192	126.5 Å²	126.5	73%	0.727	68%	0.675	S	S	*	*	H	α-helix	trans	-70.5	-29.1	174.4	60.5	-84.9	0	0	0	112.9	P502 Q506 K507 A508	P502-W504 VanDerWaalsContact CB-CD1 3.44Å; P502-W504 HydrophobicContact CB-CG 4.39Å; P502-W504 VanDerWaalsContact CB-NE1 3.25Å; P502-W504 PolarHBondContact O-N 3.24Å; W504-Q506 VanDerWaalsContact C-N 3.32Å; W504-Q506 PolarHBondContact O-N 3.22Å; W504-K507 PolarHBondContact O-N 3.4Å; W504-A508 WeakPolarHBondContact O-CB 3.4Å; W504-A508 PolarHBondContact O-N 2.88Å
505	I	47.3	Very low	39.1	Very low	83 Å²	83	126.2 Å²	126.2	43%	0.426	67%	0.674	S	S	.	*	H	α-helix	trans	-74	-35.6	177.2	-61.1	179	0	0	0	110.6	P502 Q503 K507 A508	P502-I505 HydrophobicContact CB-CD1 4.35Å; P502-I505 HydrophobicContact CG-CD1 4.08Å; P502-I505 HydrophobicContact CG-CG1 4.2Å; P502-I505 PolarHBondContact O-N 3.22Å; Q503-I505 VanDerWaalsContact C-N 3.31Å; I505-K507 VanDerWaalsContact C-N 3.33Å; I505-K507 PolarHBondContact O-N 3.44Å; I505-A508 WeakPolarHBondContact O-CB 3.39Å; I505-A508 PolarHBondContact O-N 3.28Å
506	Q	44	Very low	39.8	Very low	145.5 Å²	145.5	126.6 Å²	126.6	68%	0.68	67%	0.671	S	S	*	*	H	α-helix	trans	-76.2	-16.7	-178.2	-147.8	173.4	12.1	0	0	114	Q503 W504 T509	Q503-Q506 PolarHBondContact O-N 3.01Å; W504-Q506 VanDerWaalsContact C-N 3.32Å; W504-Q506 PolarHBondContact O-N 3.22Å; Q506-T509 PolarHBondContact O-OG1 3.26Å
507	K	38.5	Very low	40.4	Very low	149.5 Å²	149.5	128.6 Å²	128.6	65%	0.65	67%	0.666	S	S	*	*	H	α-helix	trans	-93	-10.9	171.6	-74	-175.5	175.9	178.5	0	113.9	Q503 W504 I505 T509	Q503-K507 PolarHBondContact O-N 3.47Å; W504-K507 PolarHBondContact O-N 3.4Å; I505-K507 VanDerWaalsContact C-N 3.33Å; I505-K507 PolarHBondContact O-N 3.44Å; K507-T509 PolarHBondContact O-N 3.07Å
508	A	45.5	Very low	41.5	Very low	73 Å²	73	126.7 Å²	126.7	60%	0.603	66%	0.66	S	S	*	*	H	α-helix	trans	-81.9	-12.3	-176.6	0	0	0	0	0	114	W504 I505	W504-A508 WeakPolarHBondContact O-CB 3.4Å; W504-A508 PolarHBondContact O-N 2.88Å; I505-A508 WeakPolarHBondContact O-CB 3.39Å; I505-A508 PolarHBondContact O-N 3.28Å
509	T	38.5	Very low	42.3	Very low	95.5 Å²	95.5	125.5 Å²	125.5	59%	0.586	64%	0.644	S	S	*	*			trans	-92.2	114	-177.6	49.4	0	0	0	0	112.4	Q506 K507 I511	Q506-T509 PolarHBondContact O-OG1 3.26Å; K507-T509 PolarHBondContact O-N 3.07Å; T509-I511 PolarHBondContact O-N 2.91Å; T509-I511 VanDerWaalsContact O-N 3.13Å
510	L	37.6	Very low	43.5	Very low	178.5 Å²	178.5	127.3 Å²	127.3	94%	0.935	64%	0.641	S	S	*	*			trans	1	-8.5	167.4	-85.2	165.5	0	0	0	117.5
511	I	44.4	Very low	44.4	Very low	143.5 Å²	143.5	130.2 Å²	130.2	74%	0.736	64%	0.641	S	S	*	*	S	Bend	trans	-124.3	48.8	-174.5	-58.2	178.1	0	0	0	111.5	T509 P513	T509-I511 PolarHBondContact O-N 2.91Å; T509-I511 VanDerWaalsContact O-N 3.13Å; I511-P513 WeakPolarHBondContact O-CD 3.38Å
512	Q	37.2	Very low	45.6	Very low	143 Å²	143	126.9 Å²	126.9	67%	0.668	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-76.3	67.1	-173.9	-66.7	-170.5	-75.4	0	0	115.9	I514	Q512-I514 VanDerWaalsContact C-N 3.31Å; Q512-I514 PolarHBondContact O-N 3.18Å; Q512-I514 VanDerWaalsContact O-N 3.12Å
513	P	43.7	Very low	46.7	Very low	94.5 Å²	94.5	128.1 Å²	128.1	61%	0.614	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-63.1	44.9	-178	0.4	0.6	0	0	0	113.2	I511 L515	I511-P513 WeakPolarHBondContact O-CD 3.38Å; P513-L515 PolarHBondContact O-N 3.07Å
514	I	47.6	Very low	47.8	Very low	120 Å²	120	122.8 Å²	122.8	62%	0.615	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-69.2	46.8	-176.6	-56	171.1	0	0	0	110	Q512 W516 W517	Q512-I514 VanDerWaalsContact C-N 3.31Å; Q512-I514 PolarHBondContact O-N 3.18Å; Q512-I514 VanDerWaalsContact O-N 3.12Å; I514-W516 VanDerWaalsContact CG2-NE1 3.34Å; I514-W516 PolarHBondContact O-N 3.27Å; I514-W517 WeakPolarHBondContact O-CB 3.41Å; I514-W517 PolarHBondContact O-N 3.15Å
515	L	43.5	Very low	48.6	Very low	140.5 Å²	140.5	120.7 Å²	120.7	74%	0.736	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-66.9	-26	-166.5	-162.8	66.9	0	0	0	114.3	P513 W517 T518	P513-L515 PolarHBondContact O-N 3.07Å; L515-W517 VanDerWaalsContact C-N 3.26Å; L515-W517 PolarHBondContact O-N 3.28Å; L515-T518 PolarHBondContact O-OG1 3.08Å
516	W	46.2	Very low	49.5	Very low	175 Å²	175	123.4 Å²	123.4	66%	0.663	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-73.1	-14.7	176.4	133.2	-16.9	0	0	0	113.5	I514 T518 W525	I514-W516 VanDerWaalsContact CG2-NE1 3.34Å; I514-W516 PolarHBondContact O-N 3.27Å; W516-T518 VanDerWaalsContact C-N 3.33Å; W516-T518 PolarHBondContact O-N 3.22Å; W516-W525 HydrophobicContact CH2-CZ3 4.17Å; W516-W525 HydrophobicContact CZ3-CE3 4.16Å; W516-W525 AromaticContact CZ3-CZ3 3.82Å; W516-W525 HydrophobicContact CZ3-CZ3 3.82Å
517	W	46.2	Very low	50.9	Low	158.5 Å²	158.5	119.7 Å²	119.7	60%	0.6	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-82.1	-19.2	-174.8	-143	13.5	0	0	0	113.3	I514 L515	I514-W517 WeakPolarHBondContact O-CB 3.41Å; I514-W517 PolarHBondContact O-N 3.15Å; L515-W517 VanDerWaalsContact C-N 3.26Å; L515-W517 PolarHBondContact O-N 3.28Å
518	T	50.9	Low	52.3	Low	101 Å²	101	113.4 Å²	113.4	62%	0.62	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-97.2	-9.2	-178.7	44.3	0	0	0	0	114.5	L515 W516	L515-T518 PolarHBondContact O-OG1 3.08Å; W516-T518 VanDerWaalsContact C-N 3.33Å; W516-T518 PolarHBondContact O-N 3.22Å
519	D	49.3	Very low	53.7	Low	86.5 Å²	86.5	113.9 Å²	113.9	46%	0.463	55%	0.549	S	S	.	.	S	Bend	trans	-68.9	151.9	-177.8	-123.5	-14.5	0	0	0	112.4	R521 G522 I523	D519-R521 HydrophobicContact CB-CB 4.41Å; D519-R521 PolarHBondContact O-N 3.32Å; D519-R521 VanDerWaalsContact O-N 3.12Å; D519-G522 CarbonylContact O-C 3.59Å; D519-G522 WeakPolarHBondContact O-CA 3.35Å; D519-G522 PolarHBondContact O-N 3.43Å; D519-I523 PolarHBondContact O-N 3.39Å
520	H	57.2	Low	55.4	Low	141.5 Å²	141.5	112.3 Å²	112.3	66%	0.655	55%	0.546	S	S	*	.	H	α-helix	trans	-54	-30.6	176.6	-86.1	-83	0	0	0	112.8	L524	H520-L524 PolarHBondContact O-N 3.03Å; H520-L524 VanDerWaalsContact O-N 3.11Å
521	R	53.5	Low	57.1	Low	211 Å²	211	107 Å²	107	80%	0.796	52%	0.521	S	S	*	.	H	α-helix	trans	-69	-33.7	175.6	-60.2	180	-176.8	-173.1	1.6	112.5	D519 I523 W525	D519-R521 HydrophobicContact CB-CB 4.41Å; D519-R521 PolarHBondContact O-N 3.32Å; D519-R521 VanDerWaalsContact O-N 3.12Å; R521-I523 VanDerWaalsContact C-N 3.32Å; R521-I523 PolarHBondContact O-N 3.48Å; R521-W525 PolarHBondContact O-N 2.72Å
522	G	59.7	Low	58.5	Low	12 Å²	12	102.9 Å²	102.9	12%	0.124	50%	0.5	C	S	.	.	H	α-helix	trans	-69.3	-31.3	177.1	0	0	0	0	0	113.2	D519 L524 W525 R526	D519-G522 CarbonylContact O-C 3.59Å; D519-G522 WeakPolarHBondContact O-CA 3.35Å; D519-G522 PolarHBondContact O-N 3.43Å; G522-L524 VanDerWaalsContact C-N 3.34Å; G522-L524 PolarHBondContact O-N 3.43Å; G522-W525 PolarHBondContact O-N 2.97Å; G522-R526 WeakPolarHBondContact O-CB 3.34Å; G522-R526 VanDerWaalsContact O-CG 3.25Å; G522-R526 WeakPolarHBondContact O-CG 3.28Å; G522-R526 PolarHBondContact O-N 3.24Å
523	I	62.8	Low	60.3	Low	89 Å²	89	99 Å²	99	46%	0.456	49%	0.488	S	S	.	.	H	α-helix	trans	-61.9	-46.5	176.6	-63.9	172.2	0	0	0	110.7	D519 R521 W525 R526 T527	D519-I523 PolarHBondContact O-N 3.39Å; R521-I523 VanDerWaalsContact C-N 3.32Å; R521-I523 PolarHBondContact O-N 3.48Å; I523-W525 VanDerWaalsContact C-N 3.35Å; I523-W525 PolarHBondContact O-N 3.22Å; I523-R526 WeakPolarHBondContact O-CB 3.36Å; I523-R526 PolarHBondContact O-N 3.2Å; I523-T527 PolarHBondContact O-N 3.19Å; I523-T527 PolarHBondContact O-OG1 3.13Å
524	L	62.1	Low	61.8	Low	45 Å²	45	97.4 Å²	97.4	24%	0.236	48%	0.483	C	S	.	.	H	α-helix	trans	-65.8	-39.5	-179.5	-161.7	110.4	0	0	0	112	F464 Y468 H520 G522 R526 T527 N528	F464-L524 HydrophobicContact CE1-CD1 4.46Å; Y468-L524 HydrophobicContact CD1-CD1 3.86Å; Y468-L524 HydrophobicContact CD1-CD2 3.74Å; Y468-L524 HydrophobicContact CD1-CG 4.37Å; Y468-L524 HydrophobicContact CD2-CD1 3.88Å; Y468-L524 HydrophobicContact CD2-CD2 4.36Å; Y468-L524 HydrophobicContact CE1-CB 4.33Å; Y468-L524 HydrophobicContact CE1-CD1 3.96Å; Y468-L524 HydrophobicContact CE1-CD2 3.64Å; Y468-L524 HydrophobicContact CE1-CG 4.17Å; Y468-L524 HydrophobicContact CE2-CD1 3.79Å; Y468-L524 HydrophobicContact CE2-CD2 4.11Å; Y468-L524 HydrophobicContact CG-CD1 3.82Å; H520-L524 PolarHBondContact O-N 3.03Å; H520-L524 VanDerWaalsContact O-N 3.11Å; G522-L524 VanDerWaalsContact C-N 3.34Å; G522-L524 PolarHBondContact O-N 3.43Å; L524-R526 VanDerWaalsContact C-N 3.34Å; L524-R526 PolarHBondContact O-N 3.46Å; L524-T527 WeakPolarHBondContact CA-OG1 3.38Å; L524-T527 PolarHBondContact O-N 2.92Å; L524-T527 PolarHBondContact O-OG1 3.08Å; L524-N528 VanDerWaalsContact O-CB 3.31Å; L524-N528 WeakPolarHBondContact O-CB 3.37Å; L524-N528 PolarHBondContact O-N 3.06Å; L524-N528 VanDerWaalsContact O-N 3.09Å; L524-N528 PolarHBondContact O-OD1 3.28Å
525	W	65.8	Low	63.2	Low	149 Å²	149	94.3 Å²	94.3	56%	0.564	47%	0.467	S	S	*	.	H	α-helix	trans	-66.9	-39.1	174.2	-172	-33.4	0	0	0	111.8	F461 W516 R521 G522 I523 T527 N528 L529	F461-W525 AromaticContact CZ-CH2 3.9Å; F461-W525 HydrophobicContact CZ-CH2 3.9Å; F461-W525 HydrophobicContact CZ-CZ3 4.05Å; W516-W525 HydrophobicContact CH2-CZ3 4.17Å; W516-W525 HydrophobicContact CZ3-CE3 4.16Å; W516-W525 AromaticContact CZ3-CZ3 3.82Å; W516-W525 HydrophobicContact CZ3-CZ3 3.82Å; R521-W525 PolarHBondContact O-N 2.72Å; G522-W525 PolarHBondContact O-N 2.97Å; I523-W525 VanDerWaalsContact C-N 3.35Å; I523-W525 PolarHBondContact O-N 3.22Å; W525-T527 PolarHBondContact O-N 3.41Å; W525-N528 PolarHBondContact O-N 3.47Å; W525-L529 VanDerWaalsContact O-CB 3.28Å; W525-L529 WeakPolarHBondContact O-CB 3.26Å; W525-L529 PolarHBondContact O-N 3.24Å
526	R	65.3	Low	64.6	Low	138.5 Å²	138.5	91.9 Å²	91.9	52%	0.523	45%	0.454	S	S	.	.	H	α-helix	trans	-60.7	-43.7	173.8	-75.7	169.4	63.9	-174.6	-0.5	112.3	G522 I523 L524 A530	G522-R526 WeakPolarHBondContact O-CB 3.34Å; G522-R526 VanDerWaalsContact O-CG 3.25Å; G522-R526 WeakPolarHBondContact O-CG 3.28Å; G522-R526 PolarHBondContact O-N 3.24Å; I523-R526 WeakPolarHBondContact O-CB 3.36Å; I523-R526 PolarHBondContact O-N 3.2Å; L524-R526 VanDerWaalsContact C-N 3.34Å; L524-R526 PolarHBondContact O-N 3.46Å; R526-A530 VanDerWaalsContact O-CB 3.26Å; R526-A530 WeakPolarHBondContact O-CB 3.44Å; R526-A530 PolarHBondContact O-N 2.98Å
527	T	72.9	Confident	66.1	Low	68 Å²	68	86.9 Å²	86.9	42%	0.417	45%	0.445	S	S	.	.	H	α-helix	trans	-68.4	-41.1	177.4	49.7	0	0	0	0	112.3	I523 L524 W525 A530 T531	I523-T527 PolarHBondContact O-N 3.19Å; I523-T527 PolarHBondContact O-OG1 3.13Å; L524-T527 WeakPolarHBondContact CA-OG1 3.38Å; L524-T527 PolarHBondContact O-N 2.92Å; L524-T527 PolarHBondContact O-OG1 3.08Å; W525-T527 PolarHBondContact O-N 3.41Å; T527-A530 PolarHBondContact O-N 2.98Å; T527-T531 WeakPolarHBondContact O-CG2 3.21Å; T527-T531 PolarHBondContact O-N 2.83Å; T527-T531 PolarHBondContact O-OG1 2.92Å; T527-T531 VanDerWaalsContact O-OG1 3.13Å
528	N	68.7	Low	67.5	Low	17 Å²	17	82.3 Å²	82.3	9%	0.091	44%	0.441	C	S	.	.	H	α-helix	trans	-66.8	-37.9	177.2	-74.3	-8.4	0	0	0	112.3	F461 N465 L524 W525 T531 L532	F461-N528 HydrophobicContact CE2-CB 4.16Å; F461-N528 HydrophobicContact CZ-CB 4.48Å; N465-N528 PolarHBondContact OD1-ND2 3.43Å; L524-N528 VanDerWaalsContact O-CB 3.31Å; L524-N528 WeakPolarHBondContact O-CB 3.37Å; L524-N528 PolarHBondContact O-N 3.06Å; L524-N528 VanDerWaalsContact O-N 3.09Å; L524-N528 PolarHBondContact O-OD1 3.28Å; W525-N528 PolarHBondContact O-N 3.47Å; N528-T531 PolarHBondContact O-OG1 3.22Å; N528-T531 VanDerWaalsContact O-OG1 3.09Å; N528-L532 WeakPolarHBondContact O-CB 3.34Å; N528-L532 PolarHBondContact O-N 3.03Å
529	L	75.3	Confident	68.8	Low	84.5 Å²	84.5	80.2 Å²	80.2	44%	0.442	42%	0.424	S	S	.	.	H	α-helix	trans	-69.4	-41.6	175.1	-174.3	62	0	0	0	111.2	W525 L532 C533	W525-L529 VanDerWaalsContact O-CB 3.28Å; W525-L529 WeakPolarHBondContact O-CB 3.26Å; W525-L529 PolarHBondContact O-N 3.24Å; L529-L532 PolarHBondContact O-N 3.48Å; L529-C533 WeakPolarHBondContact O-CB 3.34Å; L529-C533 PolarHBondContact O-N 2.98Å; L529-C533 PolarHBondContact O-SG 2.79Å; L529-C533 VanDerWaalsContact O-SG 3.33Å
530	A	72.9	Confident	70.1	Confident	61.5 Å²	61.5	80.7 Å²	80.7	51%	0.508	43%	0.426	S	S	.	.	H	α-helix	trans	-63.4	-43	177	0	0	0	0	0	112.6	R526 T527 C533 A534	R526-A530 VanDerWaalsContact O-CB 3.26Å; R526-A530 WeakPolarHBondContact O-CB 3.44Å; R526-A530 PolarHBondContact O-N 2.98Å; T527-A530 PolarHBondContact O-N 2.98Å; A530-C533 PolarHBondContact O-N 3.48Å; A530-A534 WeakPolarHBondContact O-CB 3.37Å; A530-A534 PolarHBondContact O-N 3.06Å
531	T	74.9	Confident	71.2	Confident	67.5 Å²	67.5	78.9 Å²	78.9	41%	0.414	42%	0.42	S	S	.	.	H	α-helix	trans	-67.3	-42	175.9	52.2	0	0	0	0	111.8	T527 N528 C533 A534 I535	T527-T531 WeakPolarHBondContact O-CG2 3.21Å; T527-T531 PolarHBondContact O-N 2.83Å; T527-T531 PolarHBondContact O-OG1 2.92Å; T527-T531 VanDerWaalsContact O-OG1 3.13Å; N528-T531 PolarHBondContact O-OG1 3.22Å; N528-T531 VanDerWaalsContact O-OG1 3.09Å; T531-C533 PolarHBondContact O-N 3.43Å; T531-A534 PolarHBondContact O-N 3.34Å; T531-I535 WeakPolarHBondContact O-CB 3.22Å; T531-I535 WeakPolarHBondContact O-CD1 3.23Å; T531-I535 VanDerWaalsContact O-CG1 3.26Å; T531-I535 WeakPolarHBondContact O-CG1 3.34Å; T531-I535 PolarHBondContact O-N 3.25Å
532	L	73	Confident	72.3	Confident	58 Å²	58	70.7 Å²	70.7	30%	0.304	40%	0.401	S	S	.	.	H	α-helix	trans	-61.5	-43.6	175	-176.7	143.1	0	0	0	112.1	F461 N528 L529 I535 L536	F461-L532 HydrophobicContact CB-CD1 4.16Å; F461-L532 HydrophobicContact CD1-CD1 4.38Å; F461-L532 HydrophobicContact CD2-CD1 3.55Å; F461-L532 HydrophobicContact CE2-CD1 3.97Å; F461-L532 HydrophobicContact CG-CD1 3.78Å; N528-L532 WeakPolarHBondContact O-CB 3.34Å; N528-L532 PolarHBondContact O-N 3.03Å; L529-L532 PolarHBondContact O-N 3.48Å; L532-I535 PolarHBondContact O-N 3.12Å; L532-L536 HydrophobicContact CD2-CD1 3.68Å; L532-L536 HydrophobicContact CD2-CG 4.37Å; L532-L536 HydrophobicContact CG-CD1 4.35Å; L532-L536 WeakPolarHBondContact O-CG 3.33Å; L532-L536 PolarHBondContact O-N 3.15Å
533	C	75.2	Confident	73.1	Confident	61 Å²	61	73.7 Å²	73.7	41%	0.412	41%	0.412	S	S	.	.	H	α-helix	trans	-62.1	-44.1	173.2	-73.3	0	0	0	0	112.2	L529 A530 T531 I535 L536 C537	L529-C533 WeakPolarHBondContact O-CB 3.34Å; L529-C533 PolarHBondContact O-N 2.98Å; L529-C533 PolarHBondContact O-SG 2.79Å; L529-C533 VanDerWaalsContact O-SG 3.33Å; A530-C533 PolarHBondContact O-N 3.48Å; T531-C533 PolarHBondContact O-N 3.43Å; C533-I535 PolarHBondContact O-N 3.12Å; C533-L536 PolarHBondContact O-N 3.13Å; C533-C537 WeakPolarHBondContact O-CB 3.4Å; C533-C537 PolarHBondContact O-N 3.19Å; C533-C537 PolarHBondContact O-SG 3.2Å; C533-C537 VanDerWaalsContact O-SG 3.33Å
534	A	75.5	Confident	73.7	Confident	61 Å²	61	75.5 Å²	75.5	50%	0.504	42%	0.422	S	S	.	.	H	α-helix	trans	-61.7	-42.4	177.3	0	0	0	0	0	112.3	A530 T531 C537 A538	A530-A534 WeakPolarHBondContact O-CB 3.37Å; A530-A534 PolarHBondContact O-N 3.06Å; T531-A534 PolarHBondContact O-N 3.34Å; A534-C537 PolarHBondContact O-N 3.12Å; A534-A538 WeakPolarHBondContact O-CB 3.39Å; A534-A538 PolarHBondContact O-N 3.17Å
535	I	76.8	Confident	74.6	Confident	54 Å²	54	76.5 Å²	76.5	28%	0.277	43%	0.43	S	S	.	.	H	α-helix	trans	-63.1	-44	176.1	-70.3	162.2	0	0	0	111	S457 T531 L532 C533 A538 H539	S457-I535 VanDerWaalsContact OG-CG2 3.3Å; S457-I535 WeakPolarHBondContact OG-CG2 3.21Å; T531-I535 WeakPolarHBondContact O-CB 3.22Å; T531-I535 WeakPolarHBondContact O-CD1 3.23Å; T531-I535 VanDerWaalsContact O-CG1 3.26Å; T531-I535 WeakPolarHBondContact O-CG1 3.34Å; T531-I535 PolarHBondContact O-N 3.25Å; L532-I535 PolarHBondContact O-N 3.12Å; C533-I535 PolarHBondContact O-N 3.12Å; I535-A538 PolarHBondContact O-N 2.98Å; I535-H539 PolarHBondContact O-N 3.37Å; I535-H539 PolarHBondContact O-ND1 2.97Å
536	L	73.2	Confident	75.1	Confident	89.5 Å²	89.5	71 Å²	71	47%	0.469	42%	0.416	S	S	.	.	H	α-helix	trans	-64.1	-45.4	176.4	-73.6	173.9	0	0	0	111.9	L532 C533 A538 H539 L540	L532-L536 HydrophobicContact CD2-CD1 3.68Å; L532-L536 HydrophobicContact CD2-CG 4.37Å; L532-L536 HydrophobicContact CG-CD1 4.35Å; L532-L536 WeakPolarHBondContact O-CG 3.33Å; L532-L536 PolarHBondContact O-N 3.15Å; C533-L536 PolarHBondContact O-N 3.13Å; L536-A538 VanDerWaalsContact C-N 3.34Å; L536-A538 PolarHBondContact O-N 3.03Å; L536-H539 PolarHBondContact O-N 3.45Å; L536-L540 WeakPolarHBondContact O-CB 3.41Å; L536-L540 WeakPolarHBondContact O-CG 3.39Å; L536-L540 PolarHBondContact O-N 3.39Å
537	C	77.1	Confident	75.8	Confident	71 Å²	71	67.6 Å²	67.6	48%	0.48	41%	0.411	S	S	.	.	H	α-helix	trans	-59.8	-42.8	175.5	-72	0	0	0	0	112	C533 A534 L540 I541	C533-C537 WeakPolarHBondContact O-CB 3.4Å; C533-C537 PolarHBondContact O-N 3.19Å; C533-C537 PolarHBondContact O-SG 3.2Å; C533-C537 VanDerWaalsContact O-SG 3.33Å; A534-C537 PolarHBondContact O-N 3.12Å; C537-L540 PolarHBondContact O-N 2.96Å; C537-I541 WeakPolarHBondContact O-CB 3.24Å; C537-I541 VanDerWaalsContact O-CG1 3.27Å; C537-I541 WeakPolarHBondContact O-CG1 3.48Å; C537-I541 PolarHBondContact O-N 3.22Å
538	A	76.4	Confident	75.9	Confident	61 Å²	61	70.6 Å²	70.6	50%	0.504	42%	0.415	S	S	.	.	H	α-helix	trans	-62	-43.6	176.5	0	0	0	0	0	112.4	A534 I535 L536 I541 G542	A534-A538 WeakPolarHBondContact O-CB 3.39Å; A534-A538 PolarHBondContact O-N 3.17Å; I535-A538 PolarHBondContact O-N 2.98Å; L536-A538 VanDerWaalsContact C-N 3.34Å; L536-A538 PolarHBondContact O-N 3.03Å; A538-I541 PolarHBondContact O-N 3.16Å; A538-G542 PolarHBondContact O-N 3.09Å
539	H	77.4	Confident	76.4	Confident	57 Å²	57	72.3 Å²	72.3	26%	0.264	43%	0.426	S	S	.	.	H	α-helix	trans	-65.6	-40.5	176.3	-77.1	83.5	0	0	0	112.3	T453 I535 L536 G542 Q543	T453-H539 PolarHBondContact OG1-NE2 2.85Å; I535-H539 PolarHBondContact O-N 3.37Å; I535-H539 PolarHBondContact O-ND1 2.97Å; L536-H539 PolarHBondContact O-N 3.45Å; H539-G542 PolarHBondContact O-N 3.42Å; H539-Q543 WeakPolarHBondContact O-CG 3.4Å; H539-Q543 PolarHBondContact O-N 3.01Å
540	L	75.7	Confident	76.5	Confident	98 Å²	98	70.4 Å²	70.4	51%	0.513	42%	0.419	S	S	.	.	H	α-helix	trans	-64.4	-43.9	176.2	-72.5	169.9	0	0	0	112	L536 C537 Q543 L544	L536-L540 WeakPolarHBondContact O-CB 3.41Å; L536-L540 WeakPolarHBondContact O-CG 3.39Å; L536-L540 PolarHBondContact O-N 3.39Å; C537-L540 PolarHBondContact O-N 2.96Å; L540-Q543 PolarHBondContact O-N 3.36Å; L540-L544 WeakPolarHBondContact O-CB 3.24Å; L540-L544 VanDerWaalsContact O-CG 3.31Å; L540-L544 WeakPolarHBondContact O-CG 3.47Å; L540-L544 PolarHBondContact O-N 3.1Å
541	I	81.4	Confident	76.7	Confident	103.5 Å²	103.5	75.8 Å²	75.8	53%	0.531	43%	0.427	S	S	.	.	H	α-helix	trans	-62.2	-44.3	174.9	-68.3	164.9	0	0	0	110.3	C537 A538 Q543 L544 V545	C537-I541 WeakPolarHBondContact O-CB 3.24Å; C537-I541 VanDerWaalsContact O-CG1 3.27Å; C537-I541 WeakPolarHBondContact O-CG1 3.48Å; C537-I541 PolarHBondContact O-N 3.22Å; A538-I541 PolarHBondContact O-N 3.16Å; I541-Q543 PolarHBondContact O-N 3.2Å; I541-L544 PolarHBondContact O-N 3.26Å; I541-V545 HydrophobicContact CG2-CG2 4.48Å; I541-V545 WeakPolarHBondContact O-CG2 3.37Å; I541-V545 PolarHBondContact O-N 3.18Å
542	G	76	Confident	76.7	Confident	38.5 Å²	38.5	77 Å²	77	40%	0.397	43%	0.427	S	S	.	.	H	α-helix	trans	-58.6	-44.4	175.4	0	0	0	0	0	113.2	A538 H539 V545 A546	A538-G542 PolarHBondContact O-N 3.09Å; H539-G542 PolarHBondContact O-N 3.42Å; G542-V545 PolarHBondContact O-N 3.21Å; G542-A546 WeakPolarHBondContact O-CB 3.24Å; G542-A546 PolarHBondContact O-N 2.91Å
543	Q	76.8	Confident	76.7	Confident	75.5 Å²	75.5	82.3 Å²	82.3	35%	0.353	44%	0.443	S	S	.	.	H	α-helix	trans	-63.9	-42.7	175.2	-74.2	176.7	4.5	0	0	112.4	Y450 H539 L540 I541 V545 A546 V547	Y450-Q543 HydrophobicContact CD1-CG 3.83Å; Y450-Q543 HydrophobicContact CE1-CG 3.76Å; Y450-Q543 HydrophobicContact CG-CG 4.46Å; H539-Q543 WeakPolarHBondContact O-CG 3.4Å; H539-Q543 PolarHBondContact O-N 3.01Å; L540-Q543 PolarHBondContact O-N 3.36Å; I541-Q543 PolarHBondContact O-N 3.2Å; Q543-V545 PolarHBondContact O-N 3.48Å; Q543-A546 PolarHBondContact O-N 3.35Å; Q543-V547 WeakPolarHBondContact O-CB 3.41Å; Q543-V547 WeakPolarHBondContact O-CG2 3.38Å; Q543-V547 PolarHBondContact O-N 3.14Å
544	L	76.4	Confident	76.6	Confident	125.5 Å²	125.5	86.1 Å²	86.1	66%	0.657	45%	0.45	S	S	*	.	H	α-helix	trans	-61.7	-44	176.7	-73.2	168.6	0	0	0	111.7	L540 I541 V547 W548	L540-L544 WeakPolarHBondContact O-CB 3.24Å; L540-L544 VanDerWaalsContact O-CG 3.31Å; L540-L544 WeakPolarHBondContact O-CG 3.47Å; L540-L544 PolarHBondContact O-N 3.1Å; I541-L544 PolarHBondContact O-N 3.26Å; L544-V547 PolarHBondContact O-N 3.14Å; L544-W548 VanDerWaalsContact O-CB 3.26Å; L544-W548 WeakPolarHBondContact O-CB 3.34Å; L544-W548 PolarHBondContact O-N 3.41Å
545	V	79.3	Confident	76.5	Confident	68 Å²	68	92.1 Å²	92.1	41%	0.412	46%	0.46	S	S	.	.	H	α-helix	trans	-65	-41	175.5	173.4	0	0	0	0	111.4	I541 G542 Q543 W548 T549	I541-V545 HydrophobicContact CG2-CG2 4.48Å; I541-V545 WeakPolarHBondContact O-CG2 3.37Å; I541-V545 PolarHBondContact O-N 3.18Å; G542-V545 PolarHBondContact O-N 3.21Å; Q543-V545 PolarHBondContact O-N 3.48Å; V545-W548 PolarHBondContact O-N 3.3Å; V545-T549 HydrophobicContact CG1-CG2 4.21Å; V545-T549 WeakPolarHBondContact O-CB 3.41Å; V545-T549 WeakPolarHBondContact O-CG2 3.45Å; V545-T549 PolarHBondContact O-N 3.19Å; V545-T549 PolarHBondContact O-OG1 2.95Å
546	A	77.3	Confident	76.3	Confident	32.5 Å²	32.5	94.4 Å²	94.4	27%	0.269	47%	0.472	S	S	.	.	H	α-helix	trans	-64	-41.2	176.6	0	0	0	0	0	112.6	Y450 G542 Q543 T549 S550	Y450-A546 WeakPolarHBondContact OH-CB 3.47Å; G542-A546 WeakPolarHBondContact O-CB 3.24Å; G542-A546 PolarHBondContact O-N 2.91Å; Q543-A546 PolarHBondContact O-N 3.35Å; A546-T549 PolarHBondContact O-OG1 3.09Å; A546-S550 VanDerWaalsContact O-CB 3.26Å; A546-S550 WeakPolarHBondContact O-CB 3.34Å; A546-S550 PolarHBondContact O-N 3.16Å
547	V	78.7	Confident	76.5	Confident	68 Å²	68	95.9 Å²	95.9	41%	0.412	48%	0.475	S	S	.	.	H	α-helix	trans	-69.3	-40.8	175.5	171.5	0	0	0	0	111.3	Q543 L544 S550 R551	Q543-V547 WeakPolarHBondContact O-CB 3.41Å; Q543-V547 WeakPolarHBondContact O-CG2 3.38Å; Q543-V547 PolarHBondContact O-N 3.14Å; L544-V547 PolarHBondContact O-N 3.14Å; V547-S550 PolarHBondContact O-N 3.41Å; V547-R551 WeakPolarHBondContact O-CB 3.21Å; V547-R551 VanDerWaalsContact O-CG 3.28Å; V547-R551 WeakPolarHBondContact O-CG 3.36Å; V547-R551 PolarHBondContact O-N 2.94Å
548	W	76.8	Confident	76.5	Confident	131 Å²	131	97.6 Å²	97.6	50%	0.496	48%	0.479	S	S	.	.	H	α-helix	trans	-65.4	-50	178.5	-177.2	73	0	0	0	112	L544 V545 S550 R551 H552	L544-W548 VanDerWaalsContact O-CB 3.26Å; L544-W548 WeakPolarHBondContact O-CB 3.34Å; L544-W548 PolarHBondContact O-N 3.41Å; V545-W548 PolarHBondContact O-N 3.3Å; W548-S550 VanDerWaalsContact C-N 3.35Å; W548-S550 PolarHBondContact O-N 3.34Å; W548-R551 PolarHBondContact O-N 3.33Å; W548-H552 WeakPolarHBondContact O-CB 3.24Å; W548-H552 PolarHBondContact O-N 2.89Å
549	T	78.9	Confident	76.6	Confident	52 Å²	52	99.7 Å²	99.7	32%	0.319	48%	0.48	S	S	.	.	H	α-helix	trans	-62.9	-39.5	176.7	52.1	0	0	0	0	112.3	V545 A546 H552 R553	V545-T549 HydrophobicContact CG1-CG2 4.21Å; V545-T549 WeakPolarHBondContact O-CB 3.41Å; V545-T549 WeakPolarHBondContact O-CG2 3.45Å; V545-T549 PolarHBondContact O-N 3.19Å; V545-T549 PolarHBondContact O-OG1 2.95Å; A546-T549 PolarHBondContact O-OG1 3.09Å; T549-H552 PolarHBondContact O-N 3.22Å; T549-R553 WeakPolarHBondContact O-CB 3.27Å; T549-R553 WeakPolarHBondContact O-CG 3.42Å; T549-R553 PolarHBondContact O-N 3.24Å
550	S	76.5	Confident	76.5	Confident	44.5 Å²	44.5	99.5 Å²	99.5	31%	0.311	49%	0.488	S	S	.	.	H	α-helix	trans	-61.9	-46.8	173.6	-172.7	0	0	0	0	111.9	A546 V547 W548 H552 R553 Y554	A546-S550 VanDerWaalsContact O-CB 3.26Å; A546-S550 WeakPolarHBondContact O-CB 3.34Å; A546-S550 PolarHBondContact O-N 3.16Å; V547-S550 PolarHBondContact O-N 3.41Å; W548-S550 VanDerWaalsContact C-N 3.35Å; W548-S550 PolarHBondContact O-N 3.34Å; S550-H552 VanDerWaalsContact C-N 3.31Å; S550-H552 PolarHBondContact O-N 2.99Å; S550-R553 PolarHBondContact O-N 3.44Å; S550-Y554 VanDerWaalsContact O-CD2 3.25Å; S550-Y554 WeakPolarHBondContact O-CD2 3.37Å; S550-Y554 PolarHBondContact O-N 3.16Å; S550-Y554 VanDerWaalsContact O-N 3.08Å
551	R	78.4	Confident	76.3	Confident	175 Å²	175	97.2 Å²	97.2	66%	0.66	48%	0.48	S	S	*	.	H	α-helix	trans	-61.9	-37.3	174.9	-75.4	173.1	173.9	165	-1.1	112.3	V547 W548 Y554 R555	V547-R551 WeakPolarHBondContact O-CB 3.21Å; V547-R551 VanDerWaalsContact O-CG 3.28Å; V547-R551 WeakPolarHBondContact O-CG 3.36Å; V547-R551 PolarHBondContact O-N 2.94Å; W548-R551 PolarHBondContact O-N 3.33Å; R551-Y554 PolarHBondContact O-N 2.89Å; R551-R555 WeakPolarHBondContact O-CB 3.49Å; R551-R555 WeakPolarHBondContact O-CG 3.34Å; R551-R555 PolarHBondContact O-N 3.13Å
552	H	74	Confident	76	Confident	92.5 Å²	92.5	99.6 Å²	99.6	43%	0.428	48%	0.484	S	S	.	.	H	α-helix	trans	-67.5	-41.8	176.5	-163.2	-67.2	0	0	0	112	W548 T549 S550 Y554 R555 L556	W548-H552 WeakPolarHBondContact O-CB 3.24Å; W548-H552 PolarHBondContact O-N 2.89Å; T549-H552 PolarHBondContact O-N 3.22Å; S550-H552 VanDerWaalsContact C-N 3.31Å; S550-H552 PolarHBondContact O-N 2.99Å; H552-Y554 PolarHBondContact O-N 3.44Å; H552-R555 PolarHBondContact O-N 3.05Å; H552-L556 VanDerWaalsContact CE1-CD1 3.41Å; H552-L556 WeakPolarHBondContact CE1-CD1 3.37Å; H552-L556 WeakPolarHBondContact O-CB 3.42Å; H552-L556 PolarHBondContact O-N 3.44Å
553	R	72.5	Confident	75.9	Confident	170 Å²	170	100.8 Å²	100.8	64%	0.642	48%	0.484	S	S	*	.	H	α-helix	trans	-61	-45.6	173.9	-74.3	177.9	179.5	-176.3	0.7	111.6	Y198 T549 S550 R555 L556 F557	Y198-R553 PolarHBondContact OH-NH2 3.39Å; T549-R553 WeakPolarHBondContact O-CB 3.27Å; T549-R553 WeakPolarHBondContact O-CG 3.42Å; T549-R553 PolarHBondContact O-N 3.24Å; S550-R553 PolarHBondContact O-N 3.44Å; R553-R555 PolarHBondContact O-N 2.9Å; R553-L556 PolarHBondContact O-N 3.48Å; R553-F557 WeakPolarHBondContact O-CB 3.42Å; R553-F557 PolarHBondContact O-N 3.43Å
554	Y	73	Confident	75.8	Confident	140.5 Å²	140.5	102.4 Å²	102.4	55%	0.551	49%	0.491	S	S	*	.	H	α-helix	trans	-62.8	-41.6	175.1	-76.4	-62.7	0	0	0	112.8	S550 R551 H552 F557 L558	S550-Y554 VanDerWaalsContact O-CD2 3.25Å; S550-Y554 WeakPolarHBondContact O-CD2 3.37Å; S550-Y554 PolarHBondContact O-N 3.16Å; S550-Y554 VanDerWaalsContact O-N 3.08Å; R551-Y554 PolarHBondContact O-N 2.89Å; H552-Y554 PolarHBondContact O-N 3.44Å; Y554-F557 PolarHBondContact O-N 3.39Å; Y554-L558 WeakPolarHBondContact O-CB 3.44Å; Y554-L558 VanDerWaalsContact O-CG 3.31Å; Y554-L558 WeakPolarHBondContact O-CG 3.45Å; Y554-L558 PolarHBondContact O-N 3.18Å
555	R	73.1	Confident	75.6	Confident	187 Å²	187	98.8 Å²	98.8	71%	0.706	48%	0.48	S	S	*	.	H	α-helix	trans	-62.6	-44.4	175.3	-80.5	-174.2	169.5	-143	-4.8	112.7	R551 H552 R553 L558 I559	R551-R555 WeakPolarHBondContact O-CB 3.49Å; R551-R555 WeakPolarHBondContact O-CG 3.34Å; R551-R555 PolarHBondContact O-N 3.13Å; H552-R555 PolarHBondContact O-N 3.05Å; R553-R555 PolarHBondContact O-N 2.9Å; R555-L558 PolarHBondContact O-N 3.36Å; R555-I559 VanDerWaalsContact O-CG1 3.3Å; R555-I559 WeakPolarHBondContact O-CG1 3.43Å; R555-I559 PolarHBondContact O-N 2.94Å
556	L	72.6	Confident	75.6	Confident	101.5 Å²	101.5	98.7 Å²	98.7	53%	0.531	48%	0.476	S	S	.	.	H	α-helix	trans	-64.7	-39.7	177.9	-134.6	61.9	0	0	0	111.9	H552 R553 I559 A560	H552-L556 VanDerWaalsContact CE1-CD1 3.41Å; H552-L556 WeakPolarHBondContact CE1-CD1 3.37Å; H552-L556 WeakPolarHBondContact O-CB 3.42Å; H552-L556 PolarHBondContact O-N 3.44Å; R553-L556 PolarHBondContact O-N 3.48Å; L556-I559 PolarHBondContact O-N 3.13Å; L556-A560 VanDerWaalsContact O-CB 3.28Å; L556-A560 WeakPolarHBondContact O-CB 3.44Å; L556-A560 PolarHBondContact O-N 3.15Å
557	F	79.3	Confident	75.6	Confident	121.5 Å²	121.5	101.8 Å²	101.8	53%	0.533	49%	0.487	S	S	.	.	H	α-helix	trans	-61.9	-46	174.3	177.4	-99.4	0	0	0	112.3	R553 Y554 I559 A560 S561 I947	R553-F557 WeakPolarHBondContact O-CB 3.42Å; R553-F557 PolarHBondContact O-N 3.43Å; Y554-F557 PolarHBondContact O-N 3.39Å; F557-I559 PolarHBondContact O-N 3.16Å; F557-A560 PolarHBondContact O-N 3.05Å; F557-S561 PolarHBondContact O-N 3.13Å; F557-S561 PolarHBondContact O-OG 3.05Å; F557-I947 HydrophobicContact CE1-CD1 4.19Å; F557-I947 HydrophobicContact CE1-CG1 4.44Å; F557-I947 HydrophobicContact CZ-CD1 3.85Å; F557-I947 HydrophobicContact CZ-CG1 4.45Å; F557-I947 HydrophobicContact CZ-CG2 4.38Å
558	L	75.4	Confident	75.6	Confident	107 Å²	107	105.5 Å²	105.5	56%	0.56	50%	0.498	S	S	*	.	H	α-helix	trans	-64.3	-40.3	177.7	-72.5	169.1	0	0	0	112.6	Y554 R555 S561 Y562	Y554-L558 WeakPolarHBondContact O-CB 3.44Å; Y554-L558 VanDerWaalsContact O-CG 3.31Å; Y554-L558 WeakPolarHBondContact O-CG 3.45Å; Y554-L558 PolarHBondContact O-N 3.18Å; R555-L558 PolarHBondContact O-N 3.36Å; L558-S561 PolarHBondContact O-N 2.9Å; L558-S561 PolarHBondContact O-OG 3.23Å; L558-Y562 VanDerWaalsContact O-CB 3.27Å; L558-Y562 WeakPolarHBondContact O-CB 3.33Å; L558-Y562 PolarHBondContact O-N 2.99Å
559	I	78.5	Confident	75.7	Confident	104 Å²	104	107.7 Å²	107.7	53%	0.533	51%	0.506	S	S	.	.	H	α-helix	trans	-64.3	-46.2	175.4	-68.9	164.7	0	0	0	110.1	R555 L556 F557 S561 Y562 T563	R555-I559 VanDerWaalsContact O-CG1 3.3Å; R555-I559 WeakPolarHBondContact O-CG1 3.43Å; R555-I559 PolarHBondContact O-N 2.94Å; L556-I559 PolarHBondContact O-N 3.13Å; F557-I559 PolarHBondContact O-N 3.16Å; I559-S561 PolarHBondContact O-N 2.92Å; I559-Y562 PolarHBondContact O-N 2.89Å; I559-T563 PolarHBondContact O-N 2.97Å; I559-T563 PolarHBondContact O-OG1 3.14Å; I559-T563 VanDerWaalsContact O-OG1 3.12Å
560	A	75.2	Confident	75.6	Confident	53 Å²	53	110.1 Å²	110.1	44%	0.438	52%	0.517	S	S	.	.	H	α-helix	trans	-63	-41.4	179.7	0	0	0	0	0	112.8	L556 F557 T563 Q564	L556-A560 VanDerWaalsContact O-CB 3.28Å; L556-A560 WeakPolarHBondContact O-CB 3.44Å; L556-A560 PolarHBondContact O-N 3.15Å; F557-A560 PolarHBondContact O-N 3.05Å; A560-T563 WeakPolarHBondContact CA-OG1 3.36Å; A560-T563 PolarHBondContact O-N 3.35Å; A560-T563 PolarHBondContact O-OG1 3.41Å; A560-Q564 WeakPolarHBondContact O-CB 3.33Å; A560-Q564 PolarHBondContact O-N 3.34Å
561	S	73.2	Confident	75.7	Confident	49.5 Å²	49.5	113.6 Å²	113.6	35%	0.346	53%	0.528	S	S	.	.	H	α-helix	trans	-69	-36.1	176.5	64.7	0	0	0	0	112.4	F557 L558 I559 Q564 A565	F557-S561 PolarHBondContact O-N 3.13Å; F557-S561 PolarHBondContact O-OG 3.05Å; L558-S561 PolarHBondContact O-N 2.9Å; L558-S561 PolarHBondContact O-OG 3.23Å; I559-S561 PolarHBondContact O-N 2.92Å; S561-Q564 PolarHBondContact O-N 3.23Å; S561-A565 WeakPolarHBondContact O-CB 3.46Å; S561-A565 PolarHBondContact O-N 3.07Å
562	Y	74.8	Confident	75.6	Confident	154 Å²	154	109.7 Å²	109.7	60%	0.604	52%	0.518	S	S	*	.	H	α-helix	trans	-65.1	-46	173.4	178.6	-107.7	0	0	0	112.1	L558 I559 Q564 A565 I566	L558-Y562 VanDerWaalsContact O-CB 3.27Å; L558-Y562 WeakPolarHBondContact O-CB 3.33Å; L558-Y562 PolarHBondContact O-N 2.99Å; I559-Y562 PolarHBondContact O-N 2.89Å; Y562-Q564 VanDerWaalsContact C-N 3.33Å; Y562-Q564 PolarHBondContact O-N 3.33Å; Y562-A565 PolarHBondContact O-N 3.23Å; Y562-I566 HydrophobicContact CD1-CD1 3.88Å; Y562-I566 HydrophobicContact CE1-CD1 3.41Å; Y562-I566 VanDerWaalsContact CE1-CD1 3.41Å; Y562-I566 HydrophobicContact CE2-CD1 4.2Å; Y562-I566 HydrophobicContact CG-CD1 4.46Å; Y562-I566 WeakPolarHBondContact O-CG1 3.36Å; Y562-I566 PolarHBondContact O-N 3.24Å
563	T	72.5	Confident	75.5	Confident	64.5 Å²	64.5	108.5 Å²	108.5	40%	0.396	52%	0.517	S	S	.	.	H	α-helix	trans	-63.6	-38.9	175.1	49.6	0	0	0	0	112.2	I559 A560 A565 I566 I567	I559-T563 PolarHBondContact O-N 2.97Å; I559-T563 PolarHBondContact O-OG1 3.14Å; I559-T563 VanDerWaalsContact O-OG1 3.12Å; A560-T563 WeakPolarHBondContact CA-OG1 3.36Å; A560-T563 PolarHBondContact O-N 3.35Å; A560-T563 PolarHBondContact O-OG1 3.41Å; T563-A565 VanDerWaalsContact C-N 3.34Å; T563-A565 PolarHBondContact O-N 3.46Å; T563-I566 PolarHBondContact O-N 2.93Å; T563-I567 VanDerWaalsContact O-CG1 3.3Å; T563-I567 WeakPolarHBondContact O-CG1 3.4Å; T563-I567 PolarHBondContact O-N 3.43Å
564	Q	75	Confident	75.7	Confident	108 Å²	108	106.3 Å²	106.3	51%	0.505	51%	0.514	S	S	.	.	H	α-helix	trans	-63.7	-40.3	175.3	-169.6	67.2	17.5	0	0	111.6	Y187 A560 S561 Y562 I567 F568	Y187-Q564 HydrophobicContact CE2-CG 4.4Å; A560-Q564 WeakPolarHBondContact O-CB 3.33Å; A560-Q564 PolarHBondContact O-N 3.34Å; S561-Q564 PolarHBondContact O-N 3.23Å; Y562-Q564 VanDerWaalsContact C-N 3.33Å; Y562-Q564 PolarHBondContact O-N 3.33Å; Q564-I567 PolarHBondContact O-N 3.18Å; Q564-F568 WeakPolarHBondContact O-CB 3.47Å; Q564-F568 PolarHBondContact O-N 3.03Å
565	A	73.8	Confident	75.8	Confident	51 Å²	51	101.6 Å²	101.6	42%	0.421	50%	0.502	S	S	.	.	H	α-helix	trans	-66.3	-36.6	176.3	0	0	0	0	0	112.6	S561 Y562 T563 R569	S561-A565 WeakPolarHBondContact O-CB 3.46Å; S561-A565 PolarHBondContact O-N 3.07Å; Y562-A565 PolarHBondContact O-N 3.23Å; T563-A565 VanDerWaalsContact C-N 3.34Å; T563-A565 PolarHBondContact O-N 3.46Å; A565-R569 WeakPolarHBondContact O-CB 3.41Å; A565-R569 WeakPolarHBondContact O-CG 3.39Å; A565-R569 PolarHBondContact O-N 3.19Å
566	I	78	Confident	75.9	Confident	65 Å²	65	98 Å²	98	33%	0.333	49%	0.491	S	S	.	.	H	α-helix	trans	-64.9	-50.6	172.3	-71.1	169	0	0	0	110.7	Y562 T563 F568 R569 L570	Y562-I566 HydrophobicContact CD1-CD1 3.88Å; Y562-I566 HydrophobicContact CE1-CD1 3.41Å; Y562-I566 VanDerWaalsContact CE1-CD1 3.41Å; Y562-I566 HydrophobicContact CE2-CD1 4.2Å; Y562-I566 HydrophobicContact CG-CD1 4.46Å; Y562-I566 WeakPolarHBondContact O-CG1 3.36Å; Y562-I566 PolarHBondContact O-N 3.24Å; T563-I566 PolarHBondContact O-N 2.93Å; I566-F568 VanDerWaalsContact C-N 3.29Å; I566-F568 PolarHBondContact O-N 3.09Å; I566-R569 CarbonylContact O-C 3.55Å; I566-R569 PolarHBondContact O-N 3.31Å; I566-R569 VanDerWaalsContact O-N 3.1Å; I566-L570 HydrophobicContact CG2-CD1 3.78Å; I566-L570 HydrophobicContact CG2-CG 4.15Å; I566-L570 WeakPolarHBondContact O-CG 3.37Å; I566-L570 PolarHBondContact O-N 3.09Å
567	I	78.5	Confident	75.9	Confident	99 Å²	99	98.5 Å²	98.5	51%	0.508	49%	0.494	S	S	.	.	H	α-helix	trans	-58.7	-42.9	-179.5	-68.4	163.7	0	0	0	110.7	T563 Q564 L570 H571	T563-I567 VanDerWaalsContact O-CG1 3.3Å; T563-I567 WeakPolarHBondContact O-CG1 3.4Å; T563-I567 PolarHBondContact O-N 3.43Å; Q564-I567 PolarHBondContact O-N 3.18Å; I567-L570 PolarHBondContact O-N 3.3Å; I567-H571 PolarHBondContact O-N 3.39Å
568	F	77.6	Confident	75.6	Confident	144.5 Å²	144.5	96.8 Å²	96.8	63%	0.634	49%	0.488	S	S	*	.	H	α-helix	trans	-63.5	-42	174.5	-177.1	-97.2	0	0	0	112.8	Q564 I566 M572	Q564-F568 WeakPolarHBondContact O-CB 3.47Å; Q564-F568 PolarHBondContact O-N 3.03Å; I566-F568 VanDerWaalsContact C-N 3.29Å; I566-F568 PolarHBondContact O-N 3.09Å; F568-M572 VanDerWaalsContact O-CB 3.31Å; F568-M572 WeakPolarHBondContact O-CB 3.33Å; F568-M572 PolarHBondContact O-N 3.34Å
569	R	78.2	Confident	75.5	Confident	178.5 Å²	178.5	99.9 Å²	99.9	67%	0.674	49%	0.492	S	S	*	.	H	α-helix	trans	-62.9	-42.7	174	-79.8	-174	177.7	-148.8	2	111.8	A565 I566 M572 T573	A565-R569 WeakPolarHBondContact O-CB 3.41Å; A565-R569 WeakPolarHBondContact O-CG 3.39Å; A565-R569 PolarHBondContact O-N 3.19Å; I566-R569 CarbonylContact O-C 3.55Å; I566-R569 PolarHBondContact O-N 3.31Å; I566-R569 VanDerWaalsContact O-N 3.1Å; R569-M572 CarbonylContact O-C 3.44Å; R569-M572 PolarHBondContact O-N 3.29Å; R569-T573 PolarHBondContact O-N 3.48Å; R569-T573 PolarHBondContact O-OG1 3.45Å; R569-T573 VanDerWaalsContact O-OG1 3.13Å
570	L	78.3	Confident	75.3	Confident	102 Å²	102	99.7 Å²	99.7	53%	0.534	49%	0.491	S	S	.	.	H	α-helix	trans	-60.3	-52.3	178.3	-73.7	171.9	0	0	0	111.3	I566 I567 M572 T573 E574	I566-L570 HydrophobicContact CG2-CD1 3.78Å; I566-L570 HydrophobicContact CG2-CG 4.15Å; I566-L570 WeakPolarHBondContact O-CG 3.37Å; I566-L570 PolarHBondContact O-N 3.09Å; I567-L570 PolarHBondContact O-N 3.3Å; L570-M572 VanDerWaalsContact C-N 3.26Å; L570-M572 PolarHBondContact O-N 2.84Å; L570-T573 WeakPolarHBondContact CA-OG1 3.44Å; L570-T573 CarbonylContact O-C 3.57Å; L570-T573 PolarHBondContact O-N 3.25Å; L570-T573 PolarHBondContact O-OG1 2.97Å; L570-E574 WeakPolarHBondContact O-CB 3.41Å; L570-E574 PolarHBondContact O-N 3.22Å
571	H	78.4	Confident	75.2	Confident	117.5 Å²	117.5	98.4 Å²	98.4	54%	0.544	48%	0.479	S	S	.	.	H	α-helix	trans	-61.1	-33.3	176.5	-172.8	-96.6	0	0	0	112.4	I567 S575	I567-H571 PolarHBondContact O-N 3.39Å; H571-S575 WeakPolarHBondContact O-CB 3.4Å; H571-S575 PolarHBondContact O-N 3.39Å; H571-S575 PolarHBondContact O-OG 3.18Å
572	M	75.1	Confident	75.2	Confident	94 Å²	94	99.5 Å²	99.5	46%	0.463	48%	0.478	S	S	.	.	H	α-helix	trans	-72.8	-29.5	173.8	-167.9	62.8	-179.8	0	0	113.2	F568 R569 L570 S575 K576	F568-M572 VanDerWaalsContact O-CB 3.31Å; F568-M572 WeakPolarHBondContact O-CB 3.33Å; F568-M572 PolarHBondContact O-N 3.34Å; R569-M572 CarbonylContact O-C 3.44Å; R569-M572 PolarHBondContact O-N 3.29Å; L570-M572 VanDerWaalsContact C-N 3.26Å; L570-M572 PolarHBondContact O-N 2.84Å; M572-S575 PolarHBondContact O-OG 3.34Å; M572-K576 WeakPolarHBondContact O-CB 3.41Å; M572-K576 WeakPolarHBondContact O-CD 3.41Å; M572-K576 WeakPolarHBondContact O-CG 3.41Å; M572-K576 PolarHBondContact O-N 2.97Å
573	T	72	Confident	75.1	Confident	66 Å²	66	96.7 Å²	96.7	41%	0.405	48%	0.48	S	S	.	.	H	α-helix	trans	-77.8	-38.1	171.1	45.4	0	0	0	0	112.5	Y54 R569 L570 K576 L577	Y54-T573 HydrophobicContact CE1-CG2 4.21Å; R569-T573 PolarHBondContact O-N 3.48Å; R569-T573 PolarHBondContact O-OG1 3.45Å; R569-T573 VanDerWaalsContact O-OG1 3.13Å; L570-T573 WeakPolarHBondContact CA-OG1 3.44Å; L570-T573 CarbonylContact O-C 3.57Å; L570-T573 PolarHBondContact O-N 3.25Å; L570-T573 PolarHBondContact O-OG1 2.97Å; T573-K576 WeakPolarHBondContact O-CB 3.2Å; T573-K576 PolarHBondContact O-N 3.1Å; T573-L577 VanDerWaalsContact O-CB 3.3Å; T573-L577 WeakPolarHBondContact O-CB 3.36Å; T573-L577 PolarHBondContact O-N 3.21Å
574	E	77.8	Confident	75.3	Confident	125 Å²	125	98.7 Å²	98.7	58%	0.584	49%	0.487	S	S	*	.	H	α-helix	trans	-63.5	-51.7	176.9	179.5	179.3	-164.7	0	0	111.1	L570 K576 L577 H578	L570-E574 WeakPolarHBondContact O-CB 3.41Å; L570-E574 PolarHBondContact O-N 3.22Å; E574-K576 VanDerWaalsContact C-N 3.3Å; E574-K576 PolarHBondContact O-N 3.33Å; E574-L577 PolarHBondContact O-N 3.11Å; E574-L577 VanDerWaalsContact O-N 3.11Å; E574-H578 VanDerWaalsContact O-CB 3.28Å; E574-H578 WeakPolarHBondContact O-CB 3.42Å; E574-H578 PolarHBondContact O-N 3.18Å
575	S	74.1	Confident	75.4	Confident	40.5 Å²	40.5	93.9 Å²	93.9	28%	0.283	47%	0.465	S	S	.	.	H	α-helix	trans	-62.8	-29.2	175.8	55.1	0	0	0	0	113.6	H571 M572 R579	H571-S575 WeakPolarHBondContact O-CB 3.4Å; H571-S575 PolarHBondContact O-N 3.39Å; H571-S575 PolarHBondContact O-OG 3.18Å; M572-S575 PolarHBondContact O-OG 3.34Å; S575-R579 WeakPolarHBondContact O-CD 3.32Å; S575-R579 VanDerWaalsContact O-CG 3.27Å; S575-R579 WeakPolarHBondContact O-CG 3.45Å; S575-R579 PolarHBondContact O-N 2.91Å
576	K	75.3	Confident	75.8	Confident	111 Å²	111	91.5 Å²	91.5	48%	0.483	45%	0.445	S	S	.	.	H	α-helix	trans	-69.9	-46.7	168.5	-77.9	175.1	-177.7	-174.8	0	112.1	M572 T573 E574 H578 R579 L580	M572-K576 WeakPolarHBondContact O-CB 3.41Å; M572-K576 WeakPolarHBondContact O-CD 3.41Å; M572-K576 WeakPolarHBondContact O-CG 3.41Å; M572-K576 PolarHBondContact O-N 2.97Å; T573-K576 WeakPolarHBondContact O-CB 3.2Å; T573-K576 PolarHBondContact O-N 3.1Å; E574-K576 VanDerWaalsContact C-N 3.3Å; E574-K576 PolarHBondContact O-N 3.33Å; K576-H578 VanDerWaalsContact C-N 3.34Å; K576-H578 PolarHBondContact O-N 3.27Å; K576-R579 PolarHBondContact O-N 3.39Å; K576-L580 WeakPolarHBondContact O-CG 3.39Å; K576-L580 PolarHBondContact O-N 3.46Å
577	L	74	Confident	75.8	Confident	112 Å²	112	90.7 Å²	90.7	59%	0.586	45%	0.448	S	S	*	.	H	α-helix	trans	-64.2	-40.3	-179.3	-175.9	63.6	0	0	0	111.7	T573 E574 R579 L580 S581	T573-L577 VanDerWaalsContact O-CB 3.3Å; T573-L577 WeakPolarHBondContact O-CB 3.36Å; T573-L577 PolarHBondContact O-N 3.21Å; E574-L577 PolarHBondContact O-N 3.11Å; E574-L577 VanDerWaalsContact O-N 3.11Å; L577-R579 VanDerWaalsContact C-N 3.33Å; L577-R579 PolarHBondContact O-N 3.38Å; L577-L580 CarbonylContact O-C 3.6Å; L577-L580 PolarHBondContact O-N 3.2Å; L577-S581 PolarHBondContact O-N 3.27Å; L577-S581 PolarHBondContact O-OG 2.59Å
578	H	72.8	Confident	75.7	Confident	87.5 Å²	87.5	89.4 Å²	89.4	41%	0.405	45%	0.447	S	S	.	.	H	α-helix	trans	-66.5	-35	174.4	177.9	-129.6	0	0	0	112.6	E574 K576 S581 K582 D591	E574-H578 VanDerWaalsContact O-CB 3.28Å; E574-H578 WeakPolarHBondContact O-CB 3.42Å; E574-H578 PolarHBondContact O-N 3.18Å; K576-H578 VanDerWaalsContact C-N 3.34Å; K576-H578 PolarHBondContact O-N 3.27Å; H578-S581 WeakPolarHBondContact CA-OG 3.45Å; H578-S581 PolarHBondContact O-OG 3.01Å; H578-S581 VanDerWaalsContact O-OG 3.09Å; H578-K582 VanDerWaalsContact NE2-CE 3.3Å; H578-K582 WeakPolarHBondContact NE2-CE 3.43Å; H578-K582 PolarHBondContact NE2-NZ 2.81Å; H578-K582 PolarHBondContact O-N 3.37Å; H578-D591 IonicContact NE2-OD1 3.29Å
579	R	73	Confident	75.8	Confident	171 Å²	171	82.9 Å²	82.9	65%	0.645	42%	0.418	S	S	*	.	H	α-helix	trans	-66.9	-43.2	168.7	-76.3	178.7	-178.2	-159.9	1.6	111.7	S575 K576 L577 K582 C583 E908	S575-R579 WeakPolarHBondContact O-CD 3.32Å; S575-R579 VanDerWaalsContact O-CG 3.27Å; S575-R579 WeakPolarHBondContact O-CG 3.45Å; S575-R579 PolarHBondContact O-N 2.91Å; K576-R579 PolarHBondContact O-N 3.39Å; L577-R579 VanDerWaalsContact C-N 3.33Å; L577-R579 PolarHBondContact O-N 3.38Å; R579-K582 PolarHBondContact O-N 3Å; R579-C583 PolarHBondContact O-N 3.25Å; R579-C583 VanDerWaalsContact O-N 3.15Å; R579-C583 PolarHBondContact O-SG 3.44Å; R579-E908 IonicContact CZ-OE2 2.82Å; R579-E908 IonicContact NH1-OE2 3.47Å; R579-E908 PolarHBondContact NH1-OE2 3.47Å; R579-E908 IonicContact NH2-OE2 3.73Å; R579-E908 PolarHBondContact NH2-OE2 2.88Å
580	L	74.6	Confident	75.8	Confident	99.5 Å²	99.5	74.5 Å²	74.5	52%	0.521	39%	0.387	S	S	.	.	H	α-helix	trans	-67	-39.1	179.8	-72.2	169.3	0	0	0	113	K576 L577 K582 C583 L584	K576-L580 WeakPolarHBondContact O-CG 3.39Å; K576-L580 PolarHBondContact O-N 3.46Å; L577-L580 CarbonylContact O-C 3.6Å; L577-L580 PolarHBondContact O-N 3.2Å; L580-K582 VanDerWaalsContact C-N 3.35Å; L580-C583 WeakPolarHBondContact O-CB 3.34Å; L580-C583 PolarHBondContact O-N 3.42Å; L580-C583 VanDerWaalsContact O-N 3.16Å; L580-L584 WeakPolarHBondContact O-CG 3.49Å; L580-L584 PolarHBondContact O-N 3.12Å
581	S	72.3	Confident	75.6	Confident	27 Å²	27	72.8 Å²	72.8	19%	0.189	38%	0.378	C	S	.	.	H	α-helix	trans	-62.7	-42.7	175.8	55.2	0	0	0	0	111.8	L577 H578 C583 L584 V585	L577-S581 PolarHBondContact O-N 3.27Å; L577-S581 PolarHBondContact O-OG 2.59Å; H578-S581 WeakPolarHBondContact CA-OG 3.45Å; H578-S581 PolarHBondContact O-OG 3.01Å; H578-S581 VanDerWaalsContact O-OG 3.09Å; S581-C583 PolarHBondContact O-N 2.86Å; S581-L584 PolarHBondContact O-N 3.07Å; S581-V585 PolarHBondContact O-N 3.36Å
582	K	72.5	Confident	75.5	Confident	73 Å²	73	71.6 Å²	71.6	32%	0.317	38%	0.376	S	S	.	.	H	α-helix	trans	-69.5	-13.2	175.7	-69.7	-176.9	170.7	173.2	0	114.2	H578 R579 L580 A587 A590 D591	H578-K582 VanDerWaalsContact NE2-CE 3.3Å; H578-K582 WeakPolarHBondContact NE2-CE 3.43Å; H578-K582 PolarHBondContact NE2-NZ 2.81Å; H578-K582 PolarHBondContact O-N 3.37Å; R579-K582 PolarHBondContact O-N 3Å; L580-K582 VanDerWaalsContact C-N 3.35Å; K582-A587 HydrophobicContact CD-CB 4.14Å; K582-A587 HydrophobicContact CG-CB 4.37Å; K582-A590 HydrophobicContact CG-CB 3.98Å; K582-D591 VanDerWaalsContact CE-OD1 3.32Å; K582-D591 WeakPolarHBondContact CE-OD1 3.35Å; K582-D591 IonicContact NZ-OD1 3.15Å; K582-D591 PolarHBondContact NZ-OD1 3.11Å; K582-D591 IonicContact NZ-OD2 2.75Å; K582-D591 PolarHBondContact NZ-OD2 3.29Å
583	C	74.4	Confident	75.3	Confident	95 Å²	95	67.7 Å²	67.7	64%	0.642	36%	0.357	S	S	*	.	H	α-helix	trans	-86.6	-17.6	167.4	-66.9	0	0	0	0	114.1	R579 L580 S581	R579-C583 PolarHBondContact O-N 3.25Å; R579-C583 VanDerWaalsContact O-N 3.15Å; R579-C583 PolarHBondContact O-SG 3.44Å; L580-C583 WeakPolarHBondContact O-CB 3.34Å; L580-C583 PolarHBondContact O-N 3.42Å; L580-C583 VanDerWaalsContact O-N 3.16Å; S581-C583 PolarHBondContact O-N 2.86Å
584	L	75.9	Confident	75.4	Confident	106.5 Å²	106.5	67.3 Å²	67.3	56%	0.558	35%	0.354	S	S	*	.	H	α-helix	trans	-100.2	-28.7	-177.4	-71	168.9	0	0	0	113.3	L580 S581	L580-L584 WeakPolarHBondContact O-CG 3.49Å; L580-L584 PolarHBondContact O-N 3.12Å; S581-L584 PolarHBondContact O-N 3.07Å
585	V	77.3	Confident	75.1	Confident	6 Å²	6	65.5 Å²	65.5	4%	0.036	35%	0.348	C	S	.	.	S	Bend	trans	-144	143.7	-170	-177.8	0	0	0	0	109.3	S581 L589 A590 L593	S581-V585 PolarHBondContact O-N 3.36Å; V585-L589 HydrophobicContact CG1-CB 3.67Å; V585-L589 HydrophobicContact CG1-CD1 4.37Å; V585-L589 HydrophobicContact CG1-CD2 3.77Å; V585-L589 HydrophobicContact CG1-CG 3.5Å; V585-A590 HydrophobicContact CB-CB 4.42Å; V585-A590 HydrophobicContact CG1-CB 4.48Å; V585-L593 HydrophobicContact CB-CD1 4.3Å; V585-L593 HydrophobicContact CG1-CD1 3.88Å; V585-L593 HydrophobicContact CG2-CD1 3.91Å
586	P	82.2	Confident	75	Confident	0.5 Å²	0.5	65.9 Å²	65.9	0%	0.003	35%	0.348	C	S	.	.			trans	-52.6	140.9	175.5	-24	29.3	0	0	0	112.8	L589 A590 Y672 Y687 P688 F743	P586-L589 CarbonylContact O-C 3.58Å; P586-L589 WeakPolarHBondContact O-CA 3.14Å; P586-L589 WeakPolarHBondContact O-CB 3.38Å; P586-L589 PolarHBondContact O-N 3.17Å; P586-A590 PolarHBondContact O-N 3.23Å; P586-Y672 HydrophobicContact CB-CE2 4.37Å; P586-Y672 WeakPolarHBondContact CD-OH 3.44Å; P586-Y672 HydrophobicContact CG-CD1 4.46Å; P586-Y672 HydrophobicContact CG-CE1 3.74Å; P586-Y672 HydrophobicContact CG-CE2 4.28Å; P586-Y687 HydrophobicContact CG-CE1 4Å; P586-P688 HydrophobicContact CB-CB 4.44Å; P586-F743 HydrophobicContact CG-CD1 4.25Å; P586-F743 HydrophobicContact CG-CD2 4.15Å; P586-F743 HydrophobicContact CG-CE1 4.19Å; P586-F743 HydrophobicContact CG-CE2 4.09Å; P586-F743 HydrophobicContact CG-CG 4.24Å; P586-F743 HydrophobicContact CG-CZ 4.12Å
587	A	77.1	Confident	74.7	Confident	48 Å²	48	66.3 Å²	66.3	40%	0.397	35%	0.35	S	S	.	.	H	α-helix	trans	-48.6	-48	-172.6	0	0	0	0	0	116.1	K582 L589 A590 D591	K582-A587 HydrophobicContact CD-CB 4.14Å; K582-A587 HydrophobicContact CG-CB 4.37Å; A587-L589 VanDerWaalsContact C-N 3.3Å; A587-L589 PolarHBondContact O-N 2.98Å; A587-A590 WeakPolarHBondContact O-CB 3.39Å; A587-A590 PolarHBondContact O-N 3.23Å; A587-D591 PolarHBondContact O-N 2.9Å; A587-D591 VanDerWaalsContact O-N 3.15Å
588	P	76.9	Confident	74.4	Confident	73 Å²	73	67 Å²	67	47%	0.474	35%	0.353	S	S	.	.	H	α-helix	trans	-60.8	-40	178.4	0.2	0.2	0	0	0	112.5	A590 D591 D592 P688	P588-A590 VanDerWaalsContact C-N 3.34Å; P588-A590 PolarHBondContact O-N 3.5Å; P588-D591 PolarHBondContact O-N 2.96Å; P588-D592 PolarHBondContact O-N 3Å; P588-D592 VanDerWaalsContact O-N 3.13Å; P588-P688 HydrophobicContact CG-CB 4.18Å
589	L	78.9	Confident	74.2	Confident	8 Å²	8	67.7 Å²	67.7	4%	0.042	36%	0.359	C	S	.	.	H	α-helix	trans	-75.5	-26.6	178.5	-123.5	122.5	0	0	0	112.7	V585 P586 A587 D591 D592 L593 L608 I610 Y687 V735 F743	V585-L589 HydrophobicContact CG1-CB 3.67Å; V585-L589 HydrophobicContact CG1-CD1 4.37Å; V585-L589 HydrophobicContact CG1-CD2 3.77Å; V585-L589 HydrophobicContact CG1-CG 3.5Å; P586-L589 CarbonylContact O-C 3.58Å; P586-L589 WeakPolarHBondContact O-CA 3.14Å; P586-L589 WeakPolarHBondContact O-CB 3.38Å; P586-L589 PolarHBondContact O-N 3.17Å; A587-L589 VanDerWaalsContact C-N 3.3Å; A587-L589 PolarHBondContact O-N 2.98Å; L589-D591 VanDerWaalsContact C-N 3.32Å; L589-D592 HydrophobicContact CD1-CB 4.49Å; L589-L593 HydrophobicContact CD1-CG 4.46Å; L589-L593 VanDerWaalsContact O-CB 3.3Å; L589-L593 WeakPolarHBondContact O-CB 3.22Å; L589-L593 WeakPolarHBondContact O-CD1 3.35Å; L589-L593 VanDerWaalsContact O-CG 3.26Å; L589-L593 WeakPolarHBondContact O-CG 3.39Å; L589-L593 PolarHBondContact O-N 3.07Å; L589-L608 HydrophobicContact CD1-CD1 3.35Å; L589-L608 HydrophobicContact CD1-CD2 3.59Å; L589-L608 VanDerWaalsContact CD1-CD2 3.44Å; L589-L608 HydrophobicContact CD1-CG 4.01Å; L589-L608 HydrophobicContact CD2-CD2 3.79Å; L589-L608 HydrophobicContact CG-CD2 4.29Å; L589-I610 HydrophobicContact CD1-CD1 4.07Å; L589-I610 HydrophobicContact CD2-CD1 3.85Å; L589-Y687 VanDerWaalsContact CD1-OH 3.26Å; L589-Y687 WeakPolarHBondContact CD1-OH 3.44Å; L589-V735 HydrophobicContact CD2-CG2 3.87Å; L589-F743 HydrophobicContact CD1-CD2 4.12Å; L589-F743 HydrophobicContact CD1-CE2 3.97Å; L589-F743 HydrophobicContact CD2-CD2 3.82Å; L589-F743 HydrophobicContact CD2-CE2 3.99Å
590	A	78.3	Confident	73.5	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.008	35%	0.352	C	S	.	.	H	α-helix	trans	-67.3	-38.3	173.2	0	0	0	0	0	111.4	K582 V585 P586 A587 P588 L593 V594	K582-A590 HydrophobicContact CG-CB 3.98Å; V585-A590 HydrophobicContact CB-CB 4.42Å; V585-A590 HydrophobicContact CG1-CB 4.48Å; P586-A590 PolarHBondContact O-N 3.23Å; A587-A590 WeakPolarHBondContact O-CB 3.39Å; A587-A590 PolarHBondContact O-N 3.23Å; P588-A590 VanDerWaalsContact C-N 3.34Å; P588-A590 PolarHBondContact O-N 3.5Å; A590-L593 PolarHBondContact O-N 3.41Å; A590-V594 VanDerWaalsContact O-CG2 3.31Å; A590-V594 WeakPolarHBondContact O-CG2 3.32Å; A590-V594 PolarHBondContact O-N 3.47Å
591	D	75.2	Confident	72.6	Confident	66.5 Å²	66.5	63.6 Å²	63.6	36%	0.356	36%	0.358	S	S	.	.	H	α-helix	trans	-72.6	-39.2	178.1	-62	-27.3	0	0	0	111	H578 K582 A587 P588 L589 V594 N595	H578-D591 IonicContact NE2-OD1 3.29Å; K582-D591 VanDerWaalsContact CE-OD1 3.32Å; K582-D591 WeakPolarHBondContact CE-OD1 3.35Å; K582-D591 IonicContact NZ-OD1 3.15Å; K582-D591 PolarHBondContact NZ-OD1 3.11Å; K582-D591 IonicContact NZ-OD2 2.75Å; K582-D591 PolarHBondContact NZ-OD2 3.29Å; A587-D591 PolarHBondContact O-N 2.9Å; A587-D591 VanDerWaalsContact O-N 3.15Å; P588-D591 PolarHBondContact O-N 2.96Å; L589-D591 VanDerWaalsContact C-N 3.32Å; D591-V594 PolarHBondContact O-N 3.06Å; D591-N595 PolarHBondContact O-N 3.05Å; D591-N595 VanDerWaalsContact O-N 3.09Å; D591-N595 PolarHBondContact O-ND2 3.08Å; D591-N595 VanDerWaalsContact O-ND2 3.09Å
592	D	75.6	Confident	71.8	Confident	92.5 Å²	92.5	67.9 Å²	67.9	50%	0.495	38%	0.378	S	S	.	.	H	α-helix	trans	-58.9	-46.4	169.4	-75.5	-24.9	0	0	0	112.5	P588 L589 V594 N595 D596	P588-D592 PolarHBondContact O-N 3Å; P588-D592 VanDerWaalsContact O-N 3.13Å; L589-D592 HydrophobicContact CD1-CB 4.49Å; D592-V594 VanDerWaalsContact C-N 3.32Å; D592-V594 PolarHBondContact O-N 3.19Å; D592-N595 WeakPolarHBondContact O-CB 3.43Å; D592-N595 PolarHBondContact O-N 3.1Å; D592-N595 VanDerWaalsContact O-N 3.14Å; D592-D596 PolarHBondContact O-N 3.36Å
593	L	72.2	Confident	70.7	Confident	13 Å²	13	68 Å²	68	7%	0.068	39%	0.388	C	S	.	.	H	α-helix	trans	-60	-40.4	176.2	-79	170.3	0	0	0	112.3	V585 L589 A590 N595 D596 F597 W604 L741	V585-L593 HydrophobicContact CB-CD1 4.3Å; V585-L593 HydrophobicContact CG1-CD1 3.88Å; V585-L593 HydrophobicContact CG2-CD1 3.91Å; L589-L593 HydrophobicContact CD1-CG 4.46Å; L589-L593 VanDerWaalsContact O-CB 3.3Å; L589-L593 WeakPolarHBondContact O-CB 3.22Å; L589-L593 WeakPolarHBondContact O-CD1 3.35Å; L589-L593 VanDerWaalsContact O-CG 3.26Å; L589-L593 WeakPolarHBondContact O-CG 3.39Å; L589-L593 PolarHBondContact O-N 3.07Å; A590-L593 PolarHBondContact O-N 3.41Å; L593-N595 VanDerWaalsContact C-N 3.33Å; L593-N595 PolarHBondContact O-N 3.17Å; L593-D596 PolarHBondContact O-N 3.34Å; L593-F597 HydrophobicContact CB-CE2 4.41Å; L593-F597 HydrophobicContact CD2-CE2 4.41Å; L593-F597 WeakPolarHBondContact O-CD2 3.34Å; L593-F597 PolarHBondContact O-N 2.96Å; L593-W604 HydrophobicContact CD2-CE3 4.48Å; L593-W604 HydrophobicContact CD2-CH2 4.18Å; L593-W604 HydrophobicContact CD2-CZ2 3.55Å; L593-W604 HydrophobicContact CD2-CZ3 3.55Å; L593-W604 HydrophobicContact CG-CZ2 4.33Å; L593-L741 HydrophobicContact CD2-CD1 4.45Å
594	V	72.3	Confident	69.9	Low	57.5 Å²	57.5	66.6 Å²	66.6	35%	0.348	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-40.7	176.2	166.2	0	0	0	0	111	A590 D591 D592 F597 I598	A590-V594 VanDerWaalsContact O-CG2 3.31Å; A590-V594 WeakPolarHBondContact O-CG2 3.32Å; A590-V594 PolarHBondContact O-N 3.47Å; D591-V594 PolarHBondContact O-N 3.06Å; D592-V594 VanDerWaalsContact C-N 3.32Å; D592-V594 PolarHBondContact O-N 3.19Å; V594-F597 PolarHBondContact O-N 3.2Å; V594-I598 HydrophobicContact CG1-CD1 3.73Å; V594-I598 HydrophobicContact CG1-CG1 4.47Å; V594-I598 VanDerWaalsContact O-CG1 3.28Å; V594-I598 WeakPolarHBondContact O-CG1 3.41Å; V594-I598 PolarHBondContact O-N 2.87Å
595	N	73.5	Confident	68.5	Low	86 Å²	86	66.1 Å²	66.1	46%	0.46	38%	0.375	S	S	.	.	H	α-helix	trans	-62.3	-45.8	174.7	-67.8	-42.6	0	0	0	111.8	D591 D592 L593 F597 I598 N599	D591-N595 PolarHBondContact O-N 3.05Å; D591-N595 VanDerWaalsContact O-N 3.09Å; D591-N595 PolarHBondContact O-ND2 3.08Å; D591-N595 VanDerWaalsContact O-ND2 3.09Å; D592-N595 WeakPolarHBondContact O-CB 3.43Å; D592-N595 PolarHBondContact O-N 3.1Å; D592-N595 VanDerWaalsContact O-N 3.14Å; L593-N595 VanDerWaalsContact C-N 3.33Å; L593-N595 PolarHBondContact O-N 3.17Å; N595-F597 VanDerWaalsContact C-N 3.33Å; N595-F597 PolarHBondContact O-N 3.39Å; N595-I598 PolarHBondContact O-N 2.9Å; N595-N599 WeakPolarHBondContact O-CB 3.43Å; N595-N599 VanDerWaalsContact O-CG 3.23Å; N595-N599 PolarHBondContact O-N 3.39Å; N595-N599 PolarHBondContact O-ND2 2.93Å; N595-N599 VanDerWaalsContact O-ND2 3.07Å
596	D	71.3	Confident	67.1	Low	50 Å²	50	69.5 Å²	69.5	27%	0.267	40%	0.398	S	S	.	.	H	α-helix	trans	-62.2	-38	176.6	-92.1	-8.7	0	0	0	112.5	D592 L593 N599 W604 S605	D592-D596 PolarHBondContact O-N 3.36Å; L593-D596 PolarHBondContact O-N 3.34Å; D596-N599 PolarHBondContact O-N 2.88Å; D596-W604 WeakPolarHBondContact OD2-CZ2 3.33Å; D596-S605 PolarHBondContact OD1-OG 3.02Å; D596-S605 PolarHBondContact OD2-OG 3.13Å
597	F	68.2	Low	66.1	Low	119 Å²	119	73.8 Å²	73.8	52%	0.522	43%	0.427	S	S	.	.	H	α-helix	trans	-64.8	-43	172.8	-77.6	-60.4	0	0	0	112.6	L593 V594 N595 N599 G600 L602 W604 L741	L593-F597 HydrophobicContact CB-CE2 4.41Å; L593-F597 HydrophobicContact CD2-CE2 4.41Å; L593-F597 WeakPolarHBondContact O-CD2 3.34Å; L593-F597 PolarHBondContact O-N 2.96Å; V594-F597 PolarHBondContact O-N 3.2Å; N595-F597 VanDerWaalsContact C-N 3.33Å; N595-F597 PolarHBondContact O-N 3.39Å; F597-N599 VanDerWaalsContact C-N 3.33Å; F597-N599 PolarHBondContact O-N 3.42Å; F597-G600 PolarHBondContact O-N 3.33Å; F597-L602 HydrophobicContact CD1-CD2 4.35Å; F597-L602 HydrophobicContact CE1-CD2 3.99Å; F597-W604 HydrophobicContact CZ-CH2 4.43Å; F597-W604 HydrophobicContact CZ-CZ2 4.5Å; F597-L741 HydrophobicContact CZ-CD1 4.02Å
598	I	68.9	Low	65.6	Low	127.5 Å²	127.5	73.6 Å²	73.6	65%	0.654	42%	0.418	S	S	*	.	H	α-helix	trans	-65.3	-37.6	178.8	-71.1	165.7	0	0	0	111.3	V594 N595 G600	V594-I598 HydrophobicContact CG1-CD1 3.73Å; V594-I598 HydrophobicContact CG1-CG1 4.47Å; V594-I598 VanDerWaalsContact O-CG1 3.28Å; V594-I598 WeakPolarHBondContact O-CG1 3.41Å; V594-I598 PolarHBondContact O-N 2.87Å; N595-I598 PolarHBondContact O-N 2.9Å; I598-G600 PolarHBondContact O-N 3.08Å; I598-G600 VanDerWaalsContact O-N 3.1Å
599	N	68	Low	65.8	Low	102 Å²	102	73.8 Å²	73.8	55%	0.545	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-6.4	179.9	-72.4	-33	0	0	0	113.8	N595 D596 F597 H601	N595-N599 WeakPolarHBondContact O-CB 3.43Å; N595-N599 VanDerWaalsContact O-CG 3.23Å; N595-N599 PolarHBondContact O-N 3.39Å; N595-N599 PolarHBondContact O-ND2 2.93Å; N595-N599 VanDerWaalsContact O-ND2 3.07Å; D596-N599 PolarHBondContact O-N 2.88Å; F597-N599 VanDerWaalsContact C-N 3.33Å; F597-N599 PolarHBondContact O-N 3.42Å; N599-H601 HydrophobicContact CB-CB 4.33Å; N599-H601 PolarHBondContact O-CD2 3.19Å; N599-H601 VanDerWaalsContact O-CD2 3.25Å; N599-H601 PolarHBondContact O-N 3.28Å
600	G	58.3	Low	66.1	Low	48.5 Å²	48.5	76 Å²	76	50%	0.5	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	-5.5	178.3	0	0	0	0	0	114.8	F597 I598 L602	F597-G600 PolarHBondContact O-N 3.33Å; I598-G600 PolarHBondContact O-N 3.08Å; I598-G600 VanDerWaalsContact O-N 3.1Å; G600-L602 PolarHBondContact O-N 3.22Å
601	H	56	Low	66.7	Low	136 Å²	136	80.8 Å²	80.8	63%	0.63	45%	0.448	S	S	*	.			trans	-81.1	91.9	169.6	-74.9	-85	0	0	0	109.9	N599 S603	N599-H601 HydrophobicContact CB-CB 4.33Å; N599-H601 PolarHBondContact O-CD2 3.19Å; N599-H601 VanDerWaalsContact O-CD2 3.25Å; N599-H601 PolarHBondContact O-N 3.28Å; H601-S603 PolarHBondContact ND1-OG 3.3Å; H601-S603 CarbonylContact O-C 3.55Å; H601-S603 VanDerWaalsContact O-C 3.29Å; H601-S603 PolarHBondContact O-N 3.33Å
602	L	53.9	Low	67.5	Low	117.333 Å²	117.333	78.2 Å²	78.2	61%	0.614	43%	0.434	S	S	*	.			trans	-61.9	33.8	163.4	-86.2	105.1	0	0	0	111	F597 G600 W604 S605	F597-L602 HydrophobicContact CD1-CD2 4.35Å; F597-L602 HydrophobicContact CE1-CD2 3.99Å; G600-L602 PolarHBondContact O-N 3.22Å; L602-W604 PolarHBondContact O-N 2.99Å; L602-S605 PolarHBondContact O-N 2.98Å
603	S	51.3	Low	68.2	Low	74.3333 Å²	74.3333	82.7 Å²	82.7	52%	0.52	44%	0.444	S	S	.	.	S	Bend	trans	-71.9	46.9	165.3	60	0	0	0	0	110.7	H601 S605	H601-S603 PolarHBondContact ND1-OG 3.3Å; H601-S603 CarbonylContact O-C 3.55Å; H601-S603 VanDerWaalsContact O-C 3.29Å; H601-S603 PolarHBondContact O-N 3.33Å; S603-S605 PolarHBondContact O-N 3.06Å; S603-S605 VanDerWaalsContact O-N 3.12Å; S603-S605 PolarHBondContact O-OG 3.19Å
604	W	55.9	Low	69.1	Low	65 Å²	65	86 Å²	86	25%	0.246	46%	0.462	C	S	.	.			trans	-59.5	78.4	160.2	-65	62.5	0	0	0	110	L593 D596 F597 L602 S606 L608 V735 L741	L593-W604 HydrophobicContact CD2-CE3 4.48Å; L593-W604 HydrophobicContact CD2-CH2 4.18Å; L593-W604 HydrophobicContact CD2-CZ2 3.55Å; L593-W604 HydrophobicContact CD2-CZ3 3.55Å; L593-W604 HydrophobicContact CG-CZ2 4.33Å; D596-W604 WeakPolarHBondContact OD2-CZ2 3.33Å; F597-W604 HydrophobicContact CZ-CH2 4.43Å; F597-W604 HydrophobicContact CZ-CZ2 4.5Å; L602-W604 PolarHBondContact O-N 2.99Å; W604-S606 VanDerWaalsContact C-N 3.29Å; W604-S606 CarbonylContact C-O 3.6Å; W604-S606 PolarHBondContact O-N 3.43Å; W604-L608 HydrophobicContact CD2-CB 4.19Å; W604-L608 HydrophobicContact CE3-CB 4.34Å; W604-L608 HydrophobicContact CH2-CB 4.19Å; W604-L608 HydrophobicContact CH2-CD1 4.28Å; W604-L608 HydrophobicContact CH2-CD2 3.89Å; W604-L608 HydrophobicContact CZ2-CD2 3.75Å; W604-L608 HydrophobicContact CZ3-CB 4.07Å; W604-L608 HydrophobicContact CZ3-CD1 4.11Å; W604-L608 HydrophobicContact CZ3-CD2 4.41Å; W604-L608 HydrophobicContact CZ3-CG 4.36Å; W604-V735 HydrophobicContact CE3-CB 4.2Å; W604-V735 HydrophobicContact CE3-CG1 4.38Å; W604-V735 HydrophobicContact CH2-CB 4.33Å; W604-V735 HydrophobicContact CH2-CG2 4.05Å; W604-V735 HydrophobicContact CZ3-CB 3.52Å; W604-V735 HydrophobicContact CZ3-CG1 4.05Å; W604-V735 HydrophobicContact CZ3-CG2 3.75Å; W604-L741 HydrophobicContact CH2-CD1 3.78Å; W604-L741 HydrophobicContact CH2-CD2 3.45Å; W604-L741 VanDerWaalsContact CH2-CD2 3.45Å; W604-L741 HydrophobicContact CH2-CG 4.29Å; W604-L741 HydrophobicContact CZ2-CD1 4.23Å; W604-L741 HydrophobicContact CZ2-CD2 3.79Å; W604-L741 HydrophobicContact CZ3-CD2 4.38Å
605	S	46.6	Very low	70.2	Confident	97.3333 Å²	97.3333	83.4 Å²	83.4	68%	0.681	45%	0.446	S	S	*	.	S	Bend	trans	-72.3	-23.4	179.6	5.2	0	0	0	0	112.2	D596 L602 S603	D596-S605 PolarHBondContact OD1-OG 3.02Å; D596-S605 PolarHBondContact OD2-OG 3.13Å; L602-S605 PolarHBondContact O-N 2.98Å; S603-S605 PolarHBondContact O-N 3.06Å; S603-S605 VanDerWaalsContact O-N 3.12Å; S603-S605 PolarHBondContact O-OG 3.19Å
606	S	49.4	Very low	71.2	Confident	76 Å²	76	79.3 Å²	79.3	53%	0.531	42%	0.424	S	S	.	.	S	Bend	trans	-120.2	149	155.8	52.2	0	0	0	0	108.9	W604 L608	W604-S606 VanDerWaalsContact C-N 3.29Å; W604-S606 CarbonylContact C-O 3.6Å; W604-S606 PolarHBondContact O-N 3.43Å; S606-L608 PolarHBondContact O-N 3.4Å; S606-L608 VanDerWaalsContact O-N 3.08Å
607	P	59.5	Low	72.4	Confident	92.3333 Å²	92.3333	77 Å²	77	60%	0.6	41%	0.412	S	S	*	.			trans	-60.9	131	164.8	27.8	-33.3	0	0	0	108.8	V609 I734 L736	P607-V609 HydrophobicContact CB-CG2 4.4Å; P607-V609 HydrophobicContact CG-CG2 4.25Å; P607-V609 WeakPolarHBondContact O-CG2 3.3Å; P607-V609 PolarHBondContact O-N 3.16Å; P607-I734 HydrophobicContact CB-CG2 4.21Å; P607-L736 HydrophobicContact CB-CD2 4.38Å
608	L	68.5	Low	73.7	Confident	43 Å²	43	71.3 Å²	71.3	23%	0.225	39%	0.387	C	S	.	.			trans	-68.8	113.7	176.2	-172.9	91.2	0	0	0	108.7	L589 W604 S606 I610 I734 V735	L589-L608 HydrophobicContact CD1-CD1 3.35Å; L589-L608 HydrophobicContact CD1-CD2 3.59Å; L589-L608 VanDerWaalsContact CD1-CD2 3.44Å; L589-L608 HydrophobicContact CD1-CG 4.01Å; L589-L608 HydrophobicContact CD2-CD2 3.79Å; L589-L608 HydrophobicContact CG-CD2 4.29Å; W604-L608 HydrophobicContact CD2-CB 4.19Å; W604-L608 HydrophobicContact CE3-CB 4.34Å; W604-L608 HydrophobicContact CH2-CB 4.19Å; W604-L608 HydrophobicContact CH2-CD1 4.28Å; W604-L608 HydrophobicContact CH2-CD2 3.89Å; W604-L608 HydrophobicContact CZ2-CD2 3.75Å; W604-L608 HydrophobicContact CZ3-CB 4.07Å; W604-L608 HydrophobicContact CZ3-CD1 4.11Å; W604-L608 HydrophobicContact CZ3-CD2 4.41Å; W604-L608 HydrophobicContact CZ3-CG 4.36Å; S606-L608 PolarHBondContact O-N 3.4Å; S606-L608 VanDerWaalsContact O-N 3.08Å; L608-I610 HydrophobicContact CD1-CD1 4.44Å; L608-I610 HydrophobicContact CD1-CG1 4.4Å; L608-I610 HydrophobicContact CD2-CD1 4.02Å; L608-I610 HydrophobicContact CD2-CG1 3.92Å; L608-I610 HydrophobicContact CG-CD1 4.34Å; L608-I610 HydrophobicContact CG-CG1 4.32Å; L608-I734 VanDerWaalsContact O-CA 3.29Å; L608-I734 WeakPolarHBondContact O-CA 3.35Å; L608-I734 WeakPolarHBondContact O-CG2 3.26Å; L608-V735 HydrophobicContact CB-CB 4.27Å; L608-V735 HydrophobicContact CB-CG2 4.41Å; L608-V735 HydrophobicContact CD2-CG2 4.02Å; L608-V735 PolarHBondContact O-N 3.09Å
609	V	79.3	Confident	74.9	Confident	78 Å²	78	65.2 Å²	65.2	47%	0.473	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	104.7	-179.9	179.9	0	0	0	0	108.4	P607 Y732 I734	P607-V609 HydrophobicContact CB-CG2 4.4Å; P607-V609 HydrophobicContact CG-CG2 4.25Å; P607-V609 WeakPolarHBondContact O-CG2 3.3Å; P607-V609 PolarHBondContact O-N 3.16Å; V609-Y732 HydrophobicContact CG1-CD1 3.75Å; V609-Y732 HydrophobicContact CG1-CG 4.3Å; V609-I734 HydrophobicContact CB-CG2 4.28Å; V609-I734 HydrophobicContact CG1-CD1 4.44Å; V609-I734 HydrophobicContact CG1-CG1 4.29Å; V609-I734 HydrophobicContact CG1-CG2 4.09Å; V609-I734 HydrophobicContact CG2-CD1 4.11Å; V609-I734 HydrophobicContact CG2-CG1 4.09Å; V609-I734 HydrophobicContact CG2-CG2 3.93Å
610	I	85.8	Confident	76.1	Confident	52.6667 Å²	52.6667	60.5 Å²	60.5	27%	0.27	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.6	178.9	-60.2	171.4	0	0	0	108.1	L589 L608 L612 Y687 Y732 A733	L589-I610 HydrophobicContact CD1-CD1 4.07Å; L589-I610 HydrophobicContact CD2-CD1 3.85Å; L608-I610 HydrophobicContact CD1-CD1 4.44Å; L608-I610 HydrophobicContact CD1-CG1 4.4Å; L608-I610 HydrophobicContact CD2-CD1 4.02Å; L608-I610 HydrophobicContact CD2-CG1 3.92Å; L608-I610 HydrophobicContact CG-CD1 4.34Å; L608-I610 HydrophobicContact CG-CG1 4.32Å; I610-L612 HydrophobicContact CG2-CD2 3.76Å; I610-L612 PolarHBondContact O-N 3.25Å; I610-Y687 HydrophobicContact CD1-CE2 4.43Å; I610-Y687 HydrophobicContact CG2-CE2 4.45Å; I610-Y732 CarbonylContact O-C 3.53Å; I610-Y732 WeakPolarHBondContact O-CA 3.43Å; I610-A733 HydrophobicContact CB-CB 4.31Å; I610-A733 PolarHBondContact N-O 3.16Å; I610-A733 PolarHBondContact O-N 3.16Å
611	Y	90.7	Very high	77.6	Confident	101.333 Å²	101.333	59.2 Å²	59.2	40%	0.397	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	109	177	-178.8	-126.7	0	0	0	111.1	R613 Y732	Y611-R613 HydrophobicContact CD1-CG 3.85Å; Y611-R613 VanDerWaalsContact CE1-CD 3.46Å; Y611-R613 HydrophobicContact CE1-CG 3.43Å; Y611-R613 VanDerWaalsContact CE1-CG 3.41Å; Y611-R613 HydrophobicContact CG-CG 4.47Å; Y611-Y732 AromaticContact CD2-CD1 3.76Å; Y611-Y732 HydrophobicContact CD2-CD1 3.76Å; Y611-Y732 AromaticContact CD2-CE1 3.37Å; Y611-Y732 HydrophobicContact CD2-CE1 3.37Å; Y611-Y732 HydrophobicContact CD2-CE2 4.26Å; Y611-Y732 HydrophobicContact CD2-CG 4.36Å; Y611-Y732 AromaticContact CD2-CZ 3.66Å; Y611-Y732 HydrophobicContact CE2-CE1 4.1Å; Y611-Y732 HydrophobicContact CE2-CE2 4.35Å; Y611-Y732 AromaticContact CE2-CZ 3.9Å; Y611-Y732 HydrophobicContact CG-CD1 4.33Å; Y611-Y732 AromaticContact CG-CE1 3.91Å; Y611-Y732 HydrophobicContact CG-CE1 3.91Å
612	L	91.7	Very high	79.1	Confident	13.6667 Å²	13.6667	53.4 Å²	53.4	7%	0.072	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.8	178	-55.9	-176.3	0	0	0	110.3	I610 V615 I684 Y687 T730 A731 A733 L745	I610-L612 HydrophobicContact CG2-CD2 3.76Å; I610-L612 PolarHBondContact O-N 3.25Å; L612-V615 HydrophobicContact CB-CG1 4.05Å; L612-V615 HydrophobicContact CB-CG2 3.8Å; L612-V615 HydrophobicContact CD1-CG1 4.5Å; L612-I684 HydrophobicContact CD1-CD1 3.48Å; L612-I684 VanDerWaalsContact CD1-CD1 3.47Å; L612-Y687 HydrophobicContact CD1-CD1 4.21Å; L612-Y687 HydrophobicContact CD1-CD2 4.08Å; L612-Y687 HydrophobicContact CD1-CG 3.79Å; L612-Y687 HydrophobicContact CD2-CD2 3.36Å; L612-Y687 HydrophobicContact CD2-CE2 3.81Å; L612-Y687 HydrophobicContact CD2-CG 3.95Å; L612-Y687 HydrophobicContact CG-CD2 4.39Å; L612-T730 VanDerWaalsContact O-CA 3.27Å; L612-T730 WeakPolarHBondContact O-CA 3.35Å; L612-T730 WeakPolarHBondContact O-CB 3.38Å; L612-A731 WeakPolarHBondContact CB-O 3.43Å; L612-A731 PolarHBondContact N-O 3.22Å; L612-A731 PolarHBondContact O-N 3.05Å; L612-A733 HydrophobicContact CD1-CB 3.79Å; L612-A733 HydrophobicContact CG-CB 4.08Å; L612-L745 HydrophobicContact CD1-CD2 4.01Å
613	R	90.9	Very high	80.5	Confident	186.667 Å²	186.667	49.1 Å²	49.1	70%	0.704	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.9	178.5	-63.6	-176.8	101.6	158.8	2.9	110.1	Y611	Y611-R613 HydrophobicContact CD1-CG 3.85Å; Y611-R613 VanDerWaalsContact CE1-CD 3.46Å; Y611-R613 HydrophobicContact CE1-CG 3.43Å; Y611-R613 VanDerWaalsContact CE1-CG 3.41Å; Y611-R613 HydrophobicContact CG-CG 4.47Å
614	N	91.1	Very high	81.7	Confident	82 Å²	82	45.8 Å²	45.8	44%	0.439	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53	57.9	-179.9	-169.3	62.2	0	0	0	112.2	H694 G729 Q775	N614-H694 PolarHBondContact ND2-CE1 2.8Å; N614-H694 PolarHBondContact ND2-NE2 2.95Å; N614-H694 PolarHBondContact O-CD2 3.33Å; N614-H694 PolarHBondContact O-CE1 3.03Å; N614-H694 PolarHBondContact O-NE2 3.03Å; N614-G729 VanDerWaalsContact CA-O 3.31Å; N614-G729 WeakPolarHBondContact CA-O 3.42Å; N614-G729 PolarHBondContact N-O 3.31Å; N614-G729 VanDerWaalsContact N-O 3.09Å; N614-Q775 PolarHBondContact OD1-NE2 3.1Å
615	V	94.3	Very high	82.7	Confident	3.66667 Å²	3.66667	43.2 Å²	43.2	2%	0.022	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	156.1	174.4	-75.9	0	0	0	0	109.9	L612 F617 I684 T728 G729	L612-V615 HydrophobicContact CB-CG1 4.05Å; L612-V615 HydrophobicContact CB-CG2 3.8Å; L612-V615 HydrophobicContact CD1-CG1 4.5Å; V615-F617 HydrophobicContact CB-CE1 4.44Å; V615-F617 HydrophobicContact CG2-CE1 3.6Å; V615-F617 HydrophobicContact CG2-CE2 4.4Å; V615-F617 HydrophobicContact CG2-CZ 3.46Å; V615-F617 VanDerWaalsContact CG2-CZ 3.46Å; V615-I684 HydrophobicContact CB-CD1 3.99Å; V615-I684 HydrophobicContact CB-CG1 4.19Å; V615-I684 HydrophobicContact CG1-CD1 4.25Å; V615-I684 HydrophobicContact CG2-CD1 4.11Å; V615-T728 WeakPolarHBondContact O-CA 3.39Å; V615-G729 PolarHBondContact N-O 3.26Å; V615-G729 VanDerWaalsContact N-O 3.11Å; V615-G729 PolarHBondContact O-N 3.13Å; V615-G729 VanDerWaalsContact O-N 3.08Å
616	T	95.8	Very high	83.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.2	178.5	38.6	0	0	0	0	110.3	I684 A685 H694 A695 C698 T728	T616-I684 CarbonylContact O-C 3.58Å; T616-I684 VanDerWaalsContact O-CA 3.24Å; T616-I684 WeakPolarHBondContact O-CA 3.42Å; T616-I684 WeakPolarHBondContact O-CG1 3.37Å; T616-A685 PolarHBondContact N-O 3.14Å; T616-A685 VanDerWaalsContact N-O 3.15Å; T616-A685 PolarHBondContact O-N 3.13Å; T616-A685 WeakPolarHBondContact OG1-CB 3.23Å; T616-A685 PolarHBondContact OG1-N 3.31Å; T616-A685 PolarHBondContact OG1-O 3.36Å; T616-H694 HydrophobicContact CG2-CB 4.11Å; T616-H694 WeakPolarHBondContact CG2-ND1 3.33Å; T616-H694 WeakPolarHBondContact CG2-O 3.44Å; T616-H694 PolarHBondContact N-ND1 3.02Å; T616-H694 VanDerWaalsContact OG1-C 3.3Å; T616-H694 WeakPolarHBondContact OG1-CB 3.34Å; T616-H694 PolarHBondContact OG1-ND1 2.99Å; T616-H694 PolarHBondContact OG1-O 3.12Å; T616-A695 VanDerWaalsContact CG2-CA 3.42Å; T616-A695 HydrophobicContact CG2-CB 3.85Å; T616-C698 PolarHBondContact OG1-SG 3.17Å; T616-C698 VanDerWaalsContact OG1-SG 3.39Å; T616-T728 HydrophobicContact CG2-CG2 3.16Å
617	F	95.5	Very high	85.1	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.9	172	-36.1	-76.3	0	0	0	109.3	V615 C683 I684 V726 H727 A731 L745 D749 V750 V753	V615-F617 HydrophobicContact CB-CE1 4.44Å; V615-F617 HydrophobicContact CG2-CE1 3.6Å; V615-F617 HydrophobicContact CG2-CE2 4.4Å; V615-F617 HydrophobicContact CG2-CZ 3.46Å; V615-F617 VanDerWaalsContact CG2-CZ 3.46Å; F617-C683 WeakPolarHBondContact CA-O 3.45Å; F617-I684 HydrophobicContact CD1-CD1 4.12Å; F617-I684 HydrophobicContact CD1-CG1 4.11Å; F617-I684 HydrophobicContact CE1-CD1 3.85Å; F617-I684 HydrophobicContact CE1-CG1 4.29Å; F617-V726 VanDerWaalsContact O-CA 3.3Å; F617-V726 WeakPolarHBondContact O-CA 3.4Å; F617-H727 WeakPolarHBondContact CD2-O 3.34Å; F617-H727 PolarHBondContact N-O 3.48Å; F617-H727 PolarHBondContact O-N 3.35Å; F617-H727 VanDerWaalsContact O-N 3.11Å; F617-A731 HydrophobicContact CE1-CB 3.6Å; F617-A731 HydrophobicContact CZ-CB 3.46Å; F617-A731 VanDerWaalsContact CZ-CB 3.46Å; F617-L745 HydrophobicContact CD1-CD1 3.81Å; F617-L745 HydrophobicContact CE1-CD1 3.98Å; F617-D749 HydrophobicContact CE2-CB 3.93Å; F617-V750 HydrophobicContact CD1-CG2 4.44Å; F617-V750 HydrophobicContact CE1-CG2 4.15Å; F617-V750 HydrophobicContact CE2-CG2 4.36Å; F617-V750 HydrophobicContact CZ-CG2 4.09Å; F617-V753 HydrophobicContact CB-CB 4.45Å; F617-V753 HydrophobicContact CB-CG1 4.41Å; F617-V753 HydrophobicContact CB-CG2 3.76Å; F617-V753 HydrophobicContact CD2-CG2 3.77Å; F617-V753 HydrophobicContact CG-CG2 4.17Å
618	L	95.4	Very high	85.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.3	169.9	175	150.3	0	0	0	108.5	A620 L682 C683 C698 L701 M705 V724 S725 V726	L618-A620 HydrophobicContact CD2-CB 4.13Å; L618-L682 WeakPolarHBondContact O-CA 3.31Å; L618-C683 HydrophobicContact CB-CB 4.3Å; L618-C683 HydrophobicContact CD2-CB 4.41Å; L618-C683 PolarHBondContact N-O 3.32Å; L618-C683 PolarHBondContact O-N 3.25Å; L618-C698 HydrophobicContact CB-CB 4.47Å; L618-C698 WeakPolarHBondContact CD1-O 3.38Å; L618-L701 HydrophobicContact CD1-CD2 4.39Å; L618-L701 HydrophobicContact CD1-CG 4.41Å; L618-M705 HydrophobicContact CD2-CE 4.4Å; L618-M705 HydrophobicContact CD2-SD 4.17Å; L618-V724 HydrophobicContact CD1-CG1 3.81Å; L618-V724 HydrophobicContact CD2-CG1 4.4Å; L618-V724 HydrophobicContact CG-CG1 3.95Å; L618-S725 WeakPolarHBondContact CA-O 3.28Å; L618-V726 HydrophobicContact CB-CG2 4.14Å; L618-V726 HydrophobicContact CD1-CG2 4Å; L618-V726 HydrophobicContact CG-CG2 4.12Å
619	S	94.6	Very high	86	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.9	172.3	-179.5	0	0	0	0	109.5	E680 Y681 S725 K757	S619-E680 WeakPolarHBondContact CB-OE1 3.17Å; S619-E680 WeakPolarHBondContact OG-CG 3.25Å; S619-E680 PolarHBondContact OG-OE1 3.12Å; S619-E680 VanDerWaalsContact OG-OE1 3.05Å; S619-Y681 WeakPolarHBondContact CA-O 3.15Å; S619-S725 PolarHBondContact N-O 3.07Å; S619-S725 PolarHBondContact O-N 3.17Å; S619-S725 PolarHBondContact O-OG 3.22Å; S619-K757 WeakPolarHBondContact OG-CD 3.49Å
620	A	92.5	Very high	85.6	Confident	1.66667 Å²	1.66667	36.2 Å²	36.2	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.7	-178.9	0	0	0	0	0	112.4	L618 E680 Y681 L722 R723 V724	L618-A620 HydrophobicContact CD2-CB 4.13Å; A620-E680 CarbonylContact O-C 3.54Å; A620-E680 VanDerWaalsContact O-CA 3.29Å; A620-E680 WeakPolarHBondContact O-CA 3.4Å; A620-Y681 PolarHBondContact N-O 3.23Å; A620-Y681 PolarHBondContact O-N 3.17Å; A620-L722 HydrophobicContact CB-CD1 4.3Å; A620-L722 HydrophobicContact CB-CG 4.44Å; A620-R723 CarbonylContact C-O 3.53Å; A620-R723 VanDerWaalsContact CA-O 3.24Å; A620-R723 WeakPolarHBondContact CA-O 3.31Å; A620-V724 HydrophobicContact CB-CG2 4.12Å
621	E	90.8	Very high	84.9	Confident	22.6667 Å²	22.6667	37.1 Å²	37.1	11%	0.106	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.4	177.1	170.5	168.6	-159.6	0	0	111.5	V623 N679 L722 R723 K757	E621-V623 HydrophobicContact CG-CG2 3.99Å; E621-V623 PolarHBondContact O-N 3.42Å; E621-N679 VanDerWaalsContact CA-O 3.25Å; E621-N679 WeakPolarHBondContact CA-O 3.4Å; E621-N679 VanDerWaalsContact CB-O 3.24Å; E621-N679 WeakPolarHBondContact CB-O 3.35Å; E621-N679 HydrophobicContact CG-CB 4.46Å; E621-N679 VanDerWaalsContact CG-O 3.29Å; E621-N679 WeakPolarHBondContact CG-O 3.44Å; E621-L722 WeakPolarHBondContact O-CA 3.44Å; E621-R723 PolarHBondContact N-O 3.32Å; E621-R723 PolarHBondContact O-N 3.13Å; E621-K757 HydrophobicContact CB-CD 3.7Å; E621-K757 HydrophobicContact CB-CG 4.3Å; E621-K757 VanDerWaalsContact CD-NZ 3.34Å; E621-K757 IonicContact OE1-NZ 3.75Å; E621-K757 VanDerWaalsContact OE2-CE 3.29Å; E621-K757 WeakPolarHBondContact OE2-CE 3.3Å; E621-K757 IonicContact OE2-NZ 3.05Å; E621-K757 PolarHBondContact OE2-NZ 3.21Å
622	L	87.4	Confident	84	Confident	13.6667 Å²	13.6667	32.9 Å²	32.9	7%	0.072	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	107.1	173	-170.7	69.3	0	0	0	109.4	G624 L625 F654 I658 I709 L720 E721 L722 L852	L622-G624 PolarHBondContact O-N 3.41Å; L622-L625 HydrophobicContact CB-CB 4.35Å; L622-L625 HydrophobicContact CB-CD2 4.4Å; L622-L625 HydrophobicContact CD2-CB 4.45Å; L622-L625 HydrophobicContact CD2-CD1 4.27Å; L622-L625 HydrophobicContact CD2-CD2 4.36Å; L622-L625 HydrophobicContact CG-CB 4.44Å; L622-L625 WeakPolarHBondContact O-CB 3.34Å; L622-L625 PolarHBondContact O-N 2.89Å; L622-F654 HydrophobicContact CD2-CE1 4.45Å; L622-I658 HydrophobicContact CD2-CD1 4.49Å; L622-I709 HydrophobicContact CD1-CD1 4.3Å; L622-I709 HydrophobicContact CD1-CG2 4.35Å; L622-L720 HydrophobicContact CD1-CB 4.45Å; L622-L720 HydrophobicContact CD1-CD2 3.96Å; L622-L720 HydrophobicContact CD2-CD2 4.01Å; L622-L720 HydrophobicContact CG-CD2 4.3Å; L622-E721 CarbonylContact C-O 3.59Å; L622-L722 HydrophobicContact CB-CD1 4.4Å; L622-L722 HydrophobicContact CD1-CD1 4.37Å; L622-L852 HydrophobicContact CG-CD1 4.36Å
623	V	83.4	Confident	82.9	Confident	26.3333 Å²	26.3333	34.9 Å²	34.9	16%	0.16	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	136.1	-174.4	-178.3	0	0	0	0	110.5	E621 L625 E721 R723 L852	E621-V623 HydrophobicContact CG-CG2 3.99Å; E621-V623 PolarHBondContact O-N 3.42Å; V623-L625 VanDerWaalsContact C-N 3.26Å; V623-L625 PolarHBondContact O-N 3.01Å; V623-E721 HydrophobicContact CB-CB 3.94Å; V623-E721 HydrophobicContact CG1-CB 4.47Å; V623-E721 HydrophobicContact CG2-CB 3.74Å; V623-E721 WeakPolarHBondContact CG2-O 3.28Å; V623-E721 PolarHBondContact N-O 3.2Å; V623-E721 PolarHBondContact O-N 3.42Å; V623-R723 HydrophobicContact CG2-CG 3.79Å; V623-R723 VanDerWaalsContact CG2-NE 3.32Å; V623-L852 WeakPolarHBondContact O-CD1 3.36Å
624	G	75.8	Confident	81.8	Confident	6.33333 Å²	6.33333	29.4 Å²	29.4	7%	0.065	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	87	-9.9	-177.9	0	0	0	0	0	114.4	L622 S626 N627 L628	L622-G624 PolarHBondContact O-N 3.41Å; G624-S626 VanDerWaalsContact C-N 3.3Å; G624-S626 PolarHBondContact O-N 2.93Å; G624-N627 WeakPolarHBondContact O-CA 3.35Å; G624-N627 WeakPolarHBondContact O-CB 3.5Å; G624-N627 PolarHBondContact O-N 3.36Å; G624-L628 PolarHBondContact O-N 3.24Å
625	L	76.7	Confident	80.4	Confident	10.6667 Å²	10.6667	27 Å²	27	6%	0.056	17%	0.172	C	C	.	.	H	α-helix	trans	-60.1	-38	176.7	-170.8	65.9	0	0	0	112.2	L622 V623 N627 L628 S629 F651 F654 I655	L622-L625 HydrophobicContact CB-CB 4.35Å; L622-L625 HydrophobicContact CB-CD2 4.4Å; L622-L625 HydrophobicContact CD2-CB 4.45Å; L622-L625 HydrophobicContact CD2-CD1 4.27Å; L622-L625 HydrophobicContact CD2-CD2 4.36Å; L622-L625 HydrophobicContact CG-CB 4.44Å; L622-L625 WeakPolarHBondContact O-CB 3.34Å; L622-L625 PolarHBondContact O-N 2.89Å; V623-L625 VanDerWaalsContact C-N 3.26Å; V623-L625 PolarHBondContact O-N 3.01Å; L625-N627 VanDerWaalsContact C-N 3.31Å; L625-N627 PolarHBondContact O-N 3.48Å; L625-L628 PolarHBondContact O-N 3.39Å; L625-S629 WeakPolarHBondContact O-CB 3.42Å; L625-S629 PolarHBondContact O-N 3.1Å; L625-F651 HydrophobicContact CD1-CE2 3.63Å; L625-F651 HydrophobicContact CD1-CZ 3.61Å; L625-F651 HydrophobicContact CG-CZ 4.31Å; L625-F654 HydrophobicContact CD1-CE1 4.38Å; L625-I655 HydrophobicContact CD1-CD1 4.13Å; L625-I655 HydrophobicContact CD1-CG1 4.2Å; L625-I655 HydrophobicContact CD2-CD1 4.34Å; L625-I655 HydrophobicContact CD2-CG1 4.45Å
626	S	73	Confident	78.8	Confident	42.6667 Å²	42.6667	30.4 Å²	30.4	30%	0.298	19%	0.187	S	C	.	.	H	α-helix	trans	-57	-47.3	171	50.2	0	0	0	0	112.2	G624 L628 S629 S630 N679	G624-S626 VanDerWaalsContact C-N 3.3Å; G624-S626 PolarHBondContact O-N 2.93Å; S626-L628 VanDerWaalsContact C-N 3.32Å; S626-L628 PolarHBondContact O-N 3.06Å; S626-S629 CarbonylContact O-C 3.59Å; S626-S629 PolarHBondContact O-N 3.16Å; S626-S629 VanDerWaalsContact O-N 3.12Å; S626-S629 PolarHBondContact O-OG 2.98Å; S626-S630 PolarHBondContact O-N 3.18Å; S626-S630 PolarHBondContact O-OG 2.87Å; S626-N679 WeakPolarHBondContact CB-OD1 3.41Å
627	N	73.5	Confident	77.1	Confident	81.3333 Å²	81.3333	39.2 Å²	39.2	44%	0.435	23%	0.225	S	C	.	.	H	α-helix	trans	-69	-39.3	-176.2	-62.4	3.6	0	0	0	110.9	G624 L625 S630 N631	G624-N627 WeakPolarHBondContact O-CA 3.35Å; G624-N627 WeakPolarHBondContact O-CB 3.5Å; G624-N627 PolarHBondContact O-N 3.36Å; L625-N627 VanDerWaalsContact C-N 3.31Å; L625-N627 PolarHBondContact O-N 3.48Å; N627-S630 WeakPolarHBondContact CA-OG 3.36Å; N627-S630 PolarHBondContact O-N 2.82Å; N627-S630 PolarHBondContact O-OG 3.16Å; N627-N631 VanDerWaalsContact O-CB 3.3Å; N627-N631 WeakPolarHBondContact O-CB 3.38Å; N627-N631 PolarHBondContact O-N 3.08Å; N627-N631 PolarHBondContact O-ND2 3.09Å; N627-N631 PolarHBondContact O-OD1 3.05Å
628	L	73	Confident	75.3	Confident	12 Å²	12	43 Å²	43	6%	0.063	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-44.5	170.2	-101.7	169.1	0	0	0	111.3	G624 L625 S626 S630 N631 L632 F651 V718 L720 L852 L855 I864 L867	G624-L628 PolarHBondContact O-N 3.24Å; L625-L628 PolarHBondContact O-N 3.39Å; S626-L628 VanDerWaalsContact C-N 3.32Å; S626-L628 PolarHBondContact O-N 3.06Å; L628-S630 VanDerWaalsContact C-N 3.32Å; L628-S630 PolarHBondContact O-N 3.23Å; L628-N631 PolarHBondContact O-N 3.33Å; L628-L632 HydrophobicContact CD2-CD1 3.67Å; L628-L632 HydrophobicContact CD2-CG 4.31Å; L628-L632 WeakPolarHBondContact O-CB 3.41Å; L628-L632 VanDerWaalsContact O-CG 3.26Å; L628-L632 WeakPolarHBondContact O-CG 3.37Å; L628-L632 PolarHBondContact O-N 3.05Å; L628-F651 HydrophobicContact CB-CE2 4.04Å; L628-F651 HydrophobicContact CB-CZ 4.23Å; L628-F651 HydrophobicContact CD1-CE2 4.17Å; L628-F651 HydrophobicContact CD2-CD2 3.61Å; L628-F651 HydrophobicContact CD2-CE2 3.21Å; L628-F651 HydrophobicContact CD2-CG 4.43Å; L628-F651 HydrophobicContact CD2-CZ 3.71Å; L628-V718 HydrophobicContact CD1-CG1 4.26Å; L628-V718 HydrophobicContact CD2-CG1 3.95Å; L628-V718 HydrophobicContact CG-CG1 4.42Å; L628-L720 HydrophobicContact CD1-CD2 3.96Å; L628-L852 HydrophobicContact CD1-CD2 3.65Å; L628-L852 HydrophobicContact CG-CD2 4.37Å; L628-L855 HydrophobicContact CD1-CD1 4.06Å; L628-L855 HydrophobicContact CD2-CB 4.41Å; L628-L855 HydrophobicContact CD2-CD1 4.07Å; L628-I864 HydrophobicContact CD2-CD1 4.41Å; L628-L867 HydrophobicContact CD1-CD1 3.82Å; L628-L867 HydrophobicContact CD2-CD1 3.98Å
629	S	74.1	Confident	72.9	Confident	43.6667 Å²	43.6667	49.5 Å²	49.5	31%	0.305	29%	0.286	S	S	.	.	H	α-helix	trans	-63.2	-36.7	177.6	80.9	0	0	0	0	112.9	L625 S626 L632 A633	L625-S629 WeakPolarHBondContact O-CB 3.42Å; L625-S629 PolarHBondContact O-N 3.1Å; S626-S629 CarbonylContact O-C 3.59Å; S626-S629 PolarHBondContact O-N 3.16Å; S626-S629 VanDerWaalsContact O-N 3.12Å; S626-S629 PolarHBondContact O-OG 2.98Å; S629-L632 WeakPolarHBondContact O-CB 3.26Å; S629-A633 VanDerWaalsContact O-CB 3.23Å; S629-A633 WeakPolarHBondContact O-CB 3.42Å; S629-A633 PolarHBondContact O-N 3.17Å
630	S	72.2	Confident	70.8	Confident	59 Å²	59	54.5 Å²	54.5	41%	0.413	32%	0.317	S	S	.	.	H	α-helix	trans	-73.6	-36.4	175.8	57.8	0	0	0	0	112.6	S626 N627 L628 L632 A633 S634	S626-S630 PolarHBondContact O-N 3.18Å; S626-S630 PolarHBondContact O-OG 2.87Å; N627-S630 WeakPolarHBondContact CA-OG 3.36Å; N627-S630 PolarHBondContact O-N 2.82Å; N627-S630 PolarHBondContact O-OG 3.16Å; L628-S630 VanDerWaalsContact C-N 3.32Å; L628-S630 PolarHBondContact O-N 3.23Å; S630-L632 VanDerWaalsContact C-N 3.32Å; S630-A633 CarbonylContact O-C 3.6Å; S630-A633 PolarHBondContact O-N 3.12Å; S630-S634 WeakPolarHBondContact O-CB 3.18Å; S630-S634 PolarHBondContact O-N 3.09Å; S630-S634 PolarHBondContact O-OG 3.17Å
631	N	70.7	Confident	69	Low	71 Å²	71	60.4 Å²	60.4	38%	0.38	35%	0.348	S	S	.	.	H	α-helix	trans	-68.9	-39.7	176.9	-68.8	-3.4	0	0	0	110.8	N627 L628 A633 S634 T635 T860	N627-N631 VanDerWaalsContact O-CB 3.3Å; N627-N631 WeakPolarHBondContact O-CB 3.38Å; N627-N631 PolarHBondContact O-N 3.08Å; N627-N631 PolarHBondContact O-ND2 3.09Å; N627-N631 PolarHBondContact O-OD1 3.05Å; L628-N631 PolarHBondContact O-N 3.33Å; N631-A633 PolarHBondContact O-N 3.04Å; N631-S634 WeakPolarHBondContact CA-OG 3.31Å; N631-S634 PolarHBondContact O-N 3.45Å; N631-S634 PolarHBondContact O-OG 3.13Å; N631-T635 WeakPolarHBondContact O-CB 3.31Å; N631-T635 PolarHBondContact O-N 3.09Å; N631-T635 VanDerWaalsContact O-N 3.09Å; N631-T635 PolarHBondContact O-OG1 3.22Å; N631-T860 HydrophobicContact CB-CG2 4.5Å
632	L	71	Confident	67.4	Low	13.3333 Å²	13.3333	66.2 Å²	66.2	7%	0.07	38%	0.378	C	S	.	.	H	α-helix	trans	-58.7	-53.3	167.4	-74.2	174	0	0	0	110.9	L628 S629 S630 S634 T635 F636 I647 F651 I864	L628-L632 HydrophobicContact CD2-CD1 3.67Å; L628-L632 HydrophobicContact CD2-CG 4.31Å; L628-L632 WeakPolarHBondContact O-CB 3.41Å; L628-L632 VanDerWaalsContact O-CG 3.26Å; L628-L632 WeakPolarHBondContact O-CG 3.37Å; L628-L632 PolarHBondContact O-N 3.05Å; S629-L632 WeakPolarHBondContact O-CB 3.26Å; S630-L632 VanDerWaalsContact C-N 3.32Å; L632-S634 VanDerWaalsContact C-N 3.29Å; L632-S634 PolarHBondContact O-N 3.32Å; L632-T635 WeakPolarHBondContact O-CA 3.41Å; L632-T635 WeakPolarHBondContact O-CB 3.36Å; L632-T635 PolarHBondContact O-N 2.98Å; L632-T635 VanDerWaalsContact O-N 3.09Å; L632-F636 HydrophobicContact CB-CD2 4.48Å; L632-F636 HydrophobicContact CB-CE2 4.18Å; L632-F636 HydrophobicContact CB-CZ 4.39Å; L632-F636 HydrophobicContact CD2-CE1 4.35Å; L632-F636 HydrophobicContact CD2-CE2 4.38Å; L632-F636 HydrophobicContact CD2-CZ 3.91Å; L632-F636 WeakPolarHBondContact O-CB 3.38Å; L632-F636 WeakPolarHBondContact O-CD2 3.37Å; L632-F636 WeakPolarHBondContact O-CE2 3.4Å; L632-F636 WeakPolarHBondContact O-CG 3.34Å; L632-F636 PolarHBondContact O-N 3.26Å; L632-I647 HydrophobicContact CD2-CG2 3.63Å; L632-F651 HydrophobicContact CD1-CB 4.11Å; L632-F651 HydrophobicContact CD1-CD1 3.91Å; L632-F651 HydrophobicContact CD1-CD2 3.92Å; L632-F651 HydrophobicContact CD1-CE1 4.09Å; L632-F651 HydrophobicContact CD1-CE2 4.14Å; L632-F651 HydrophobicContact CD1-CG 3.72Å; L632-F651 HydrophobicContact CD1-CZ 4.36Å; L632-I864 HydrophobicContact CD1-CD1 3.96Å; L632-I864 HydrophobicContact CD2-CD1 3.74Å; L632-I864 HydrophobicContact CG-CD1 3.54Å
633	A	68.7	Low	66.2	Low	56 Å²	56	70.6 Å²	70.6	46%	0.463	40%	0.402	S	S	.	.	H	α-helix	trans	-58.6	-35.2	-180	0	0	0	0	0	113.8	S629 S630 N631 K637	S629-A633 VanDerWaalsContact O-CB 3.23Å; S629-A633 WeakPolarHBondContact O-CB 3.42Å; S629-A633 PolarHBondContact O-N 3.17Å; S630-A633 CarbonylContact O-C 3.6Å; S630-A633 PolarHBondContact O-N 3.12Å; N631-A633 PolarHBondContact O-N 3.04Å; A633-K637 PolarHBondContact O-N 2.72Å
634	S	67.9	Low	65.4	Low	71 Å²	71	71.9 Å²	71.9	50%	0.497	41%	0.406	S	S	.	.	H	α-helix	trans	-71.4	-38.8	174.2	66	0	0	0	0	112	S630 N631 L632 F636 K637	S630-S634 WeakPolarHBondContact O-CB 3.18Å; S630-S634 PolarHBondContact O-N 3.09Å; S630-S634 PolarHBondContact O-OG 3.17Å; N631-S634 WeakPolarHBondContact CA-OG 3.31Å; N631-S634 PolarHBondContact O-N 3.45Å; N631-S634 PolarHBondContact O-OG 3.13Å; L632-S634 VanDerWaalsContact C-N 3.29Å; L632-S634 PolarHBondContact O-N 3.32Å; S634-F636 VanDerWaalsContact C-N 3.32Å; S634-F636 PolarHBondContact O-N 3.28Å; S634-K637 WeakPolarHBondContact O-CB 3.41Å; S634-K637 PolarHBondContact O-N 3.03Å; S634-K637 VanDerWaalsContact O-N 3.15Å
635	T	63.2	Low	65.1	Low	33 Å²	33	77.1 Å²	77.1	20%	0.202	43%	0.429	C	S	.	.	H	α-helix	trans	-62	-40.4	175.1	-53	0	0	0	0	111.3	N631 L632 K637 S638 H644 T860	N631-T635 WeakPolarHBondContact O-CB 3.31Å; N631-T635 PolarHBondContact O-N 3.09Å; N631-T635 VanDerWaalsContact O-N 3.09Å; N631-T635 PolarHBondContact O-OG1 3.22Å; L632-T635 WeakPolarHBondContact O-CA 3.41Å; L632-T635 WeakPolarHBondContact O-CB 3.36Å; L632-T635 PolarHBondContact O-N 2.98Å; L632-T635 VanDerWaalsContact O-N 3.09Å; T635-K637 PolarHBondContact O-N 3.13Å; T635-K637 VanDerWaalsContact O-N 3.09Å; T635-S638 WeakPolarHBondContact O-CB 3.4Å; T635-S638 PolarHBondContact O-N 3.19Å; T635-H644 VanDerWaalsContact CG2-CE1 3.49Å; T635-H644 WeakPolarHBondContact CG2-CE1 3.37Å; T635-T860 WeakPolarHBondContact CB-OG1 3.43Å; T635-T860 VanDerWaalsContact CG2-OG1 3.25Å; T635-T860 WeakPolarHBondContact CG2-OG1 3.34Å; T635-T860 WeakPolarHBondContact OG1-CB 3Å; T635-T860 WeakPolarHBondContact OG1-CG2 3.44Å; T635-T860 PolarHBondContact OG1-OG1 2.82Å
636	F	60.2	Low	64.7	Low	73.3333 Å²	73.3333	80.4 Å²	80.4	32%	0.322	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.9	175.8	-71.1	-58.2	0	0	0	114.5	L632 S634 S638 H644 I647 C648	L632-F636 HydrophobicContact CB-CD2 4.48Å; L632-F636 HydrophobicContact CB-CE2 4.18Å; L632-F636 HydrophobicContact CB-CZ 4.39Å; L632-F636 HydrophobicContact CD2-CE1 4.35Å; L632-F636 HydrophobicContact CD2-CE2 4.38Å; L632-F636 HydrophobicContact CD2-CZ 3.91Å; L632-F636 WeakPolarHBondContact O-CB 3.38Å; L632-F636 WeakPolarHBondContact O-CD2 3.37Å; L632-F636 WeakPolarHBondContact O-CE2 3.4Å; L632-F636 WeakPolarHBondContact O-CG 3.34Å; L632-F636 PolarHBondContact O-N 3.26Å; S634-F636 VanDerWaalsContact C-N 3.32Å; S634-F636 PolarHBondContact O-N 3.28Å; F636-S638 VanDerWaalsContact C-N 3.27Å; F636-S638 PolarHBondContact O-N 3.5Å; F636-H644 HydrophobicContact CD1-CB 4.08Å; F636-H644 AromaticContact CD1-ND1 3.26Å; F636-H644 VanDerWaalsContact CD1-ND1 3.26Å; F636-H644 WeakPolarHBondContact CD1-ND1 3.07Å; F636-H644 HydrophobicContact CE1-CB 3.59Å; F636-H644 VanDerWaalsContact CE1-CB 3.48Å; F636-H644 WeakPolarHBondContact CE1-O 3.47Å; F636-H644 AromaticContact CG-ND1 3.66Å; F636-H644 HydrophobicContact CZ-CB 4.22Å; F636-H644 VanDerWaalsContact CZ-O 3.31Å; F636-H644 WeakPolarHBondContact CZ-O 3.32Å; F636-H644 PolarHBondContact O-CE1 3.27Å; F636-I647 HydrophobicContact CE1-CB 3.88Å; F636-I647 HydrophobicContact CE1-CD1 4.1Å; F636-I647 HydrophobicContact CE1-CG2 3.76Å; F636-I647 HydrophobicContact CZ-CB 4.03Å; F636-I647 HydrophobicContact CZ-CG2 3.71Å; F636-C648 HydrophobicContact CE1-CB 4.42Å; F636-C648 HydrophobicContact CE2-CB 4.27Å; F636-C648 WeakPolarHBondContact CE2-SG 3.32Å; F636-C648 HydrophobicContact CZ-CB 3.59Å; F636-C648 VanDerWaalsContact CZ-SG 3.59Å; F636-C648 WeakPolarHBondContact CZ-SG 3.37Å
637	K	60.3	Low	64.6	Low	185 Å²	185	79.5 Å²	79.5	80%	0.804	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-11	175	-96.3	-178.3	178.5	-179.7	0	113.3	A633 S634 T635	A633-K637 PolarHBondContact O-N 2.72Å; S634-K637 WeakPolarHBondContact O-CB 3.41Å; S634-K637 PolarHBondContact O-N 3.03Å; S634-K637 VanDerWaalsContact O-N 3.15Å; T635-K637 PolarHBondContact O-N 3.13Å; T635-K637 VanDerWaalsContact O-N 3.09Å
638	S	56.7	Low	64.9	Low	80 Å²	80	77.5 Å²	77.5	56%	0.559	43%	0.43	S	S	*	.	S	Bend	trans	-92.6	100	178.3	-167.2	0	0	0	0	111.9	T635 F636 T640	T635-S638 WeakPolarHBondContact O-CB 3.4Å; T635-S638 PolarHBondContact O-N 3.19Å; F636-S638 VanDerWaalsContact C-N 3.27Å; F636-S638 PolarHBondContact O-N 3.5Å; S638-T640 VanDerWaalsContact C-N 3.27Å; S638-T640 PolarHBondContact O-N 3.39Å
639	N	45.8	Very low	65.2	Low	136.333 Å²	136.333	81.1 Å²	81.1	73%	0.729	45%	0.446	S	S	*	.			trans	-96.4	88.2	-172.9	-78.4	-33.8	0	0	0	113.3	N641	N639-N641 PolarHBondContact O-N 3.44Å
640	T	51.1	Low	65.4	Low	105.667 Å²	105.667	80.7 Å²	80.7	65%	0.648	44%	0.44	S	S	*	.			trans	-120.9	95.6	173.2	49.9	0	0	0	0	112.1	S638 I642 H644	S638-T640 VanDerWaalsContact C-N 3.27Å; S638-T640 PolarHBondContact O-N 3.39Å; T640-I642 PolarHBondContact O-N 3.42Å; T640-H644 PolarHBondContact O-CD2 3.4Å; T640-H644 VanDerWaalsContact O-CD2 3.27Å; T640-H644 PolarHBondContact O-NE2 2.93Å
641	N	54.8	Low	65.9	Low	124.667 Å²	124.667	78.9 Å²	78.9	67%	0.667	43%	0.425	S	S	*	.			trans	-70.5	97.3	177.9	-66.4	-23.9	0	0	0	115.7	N639 N643 H644	N639-N641 PolarHBondContact O-N 3.44Å; N641-N643 PolarHBondContact O-N 2.98Å; N641-N643 VanDerWaalsContact O-N 3.07Å; N641-H644 PolarHBondContact O-CD2 2.96Å; N641-H644 PolarHBondContact O-N 3.25Å
642	I	55.8	Low	66.5	Low	144.333 Å²	144.333	78.8 Å²	78.8	74%	0.74	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-20.4	-177.5	-57.3	170.8	0	0	0	111.3	T640 H644 E645	T640-I642 PolarHBondContact O-N 3.42Å; I642-H644 PolarHBondContact O-N 3.18Å; I642-E645 PolarHBondContact O-N 3.33Å; I642-E645 VanDerWaalsContact O-N 3.13Å
643	N	62.7	Low	67.1	Low	107.667 Å²	107.667	80.4 Å²	80.4	58%	0.576	44%	0.435	S	S	*	.	H	α-helix	trans	-30.1	-16.1	179.3	-59.2	-13	0	0	0	116.1	N641 E645 L646 I647	N641-N643 PolarHBondContact O-N 2.98Å; N641-N643 VanDerWaalsContact O-N 3.07Å; N643-E645 VanDerWaalsContact C-N 3.34Å; N643-E645 PolarHBondContact O-N 3.37Å; N643-L646 HydrophobicContact CB-CB 4.38Å; N643-L646 HydrophobicContact CB-CD2 4.45Å; N643-L646 PolarHBondContact O-N 3.25Å; N643-I647 HydrophobicContact CB-CD1 4.46Å; N643-I647 WeakPolarHBondContact O-CG1 3.33Å; N643-I647 PolarHBondContact O-N 3.35Å; N643-I647 VanDerWaalsContact O-N 3.11Å
644	H	66.2	Low	67.9	Low	52.6667 Å²	52.6667	77.9 Å²	77.9	24%	0.244	41%	0.414	C	S	.	.	H	α-helix	trans	-64.8	-37.6	179.2	-68.7	-73.3	0	0	0	113.1	T635 F636 T640 N641 I642 L646 I647 C648	T635-H644 VanDerWaalsContact CG2-CE1 3.49Å; T635-H644 WeakPolarHBondContact CG2-CE1 3.37Å; F636-H644 HydrophobicContact CD1-CB 4.08Å; F636-H644 AromaticContact CD1-ND1 3.26Å; F636-H644 VanDerWaalsContact CD1-ND1 3.26Å; F636-H644 WeakPolarHBondContact CD1-ND1 3.07Å; F636-H644 HydrophobicContact CE1-CB 3.59Å; F636-H644 VanDerWaalsContact CE1-CB 3.48Å; F636-H644 WeakPolarHBondContact CE1-O 3.47Å; F636-H644 AromaticContact CG-ND1 3.66Å; F636-H644 HydrophobicContact CZ-CB 4.22Å; F636-H644 VanDerWaalsContact CZ-O 3.31Å; F636-H644 WeakPolarHBondContact CZ-O 3.32Å; F636-H644 PolarHBondContact O-CE1 3.27Å; T640-H644 PolarHBondContact O-CD2 3.4Å; T640-H644 VanDerWaalsContact O-CD2 3.27Å; T640-H644 PolarHBondContact O-NE2 2.93Å; N641-H644 PolarHBondContact O-CD2 2.96Å; N641-H644 PolarHBondContact O-N 3.25Å; I642-H644 PolarHBondContact O-N 3.18Å; H644-L646 VanDerWaalsContact C-N 3.35Å; H644-L646 PolarHBondContact O-N 3.48Å; H644-I647 PolarHBondContact O-N 2.94Å; H644-C648 PolarHBondContact O-N 3.06Å; H644-C648 VanDerWaalsContact O-N 3.11Å; H644-C648 PolarHBondContact O-SG 3.03Å
645	E	69.4	Low	68.8	Low	115.667 Å²	115.667	75.8 Å²	75.8	54%	0.54	40%	0.397	S	S	.	.	H	α-helix	trans	-64.4	-42.9	178.1	-140.6	-180	165.3	0	0	111.3	I642 N643 I647 C648 Q649	I642-E645 PolarHBondContact O-N 3.33Å; I642-E645 VanDerWaalsContact O-N 3.13Å; N643-E645 VanDerWaalsContact C-N 3.34Å; N643-E645 PolarHBondContact O-N 3.37Å; E645-I647 VanDerWaalsContact C-N 3.33Å; E645-I647 PolarHBondContact O-N 2.96Å; E645-C648 WeakPolarHBondContact O-CA 3.44Å; E645-C648 VanDerWaalsContact O-CB 3.27Å; E645-C648 WeakPolarHBondContact O-CB 3.42Å; E645-C648 PolarHBondContact O-N 3.27Å; E645-Q649 WeakPolarHBondContact O-CB 3.27Å; E645-Q649 VanDerWaalsContact O-CG 3.25Å; E645-Q649 WeakPolarHBondContact O-CG 3.37Å; E645-Q649 PolarHBondContact O-N 3.39Å; E645-Q649 PolarHBondContact OE1-NE2 2.9Å
646	L	68.6	Low	70	Confident	79.3333 Å²	79.3333	77.5 Å²	77.5	42%	0.415	41%	0.405	S	S	.	.	H	α-helix	trans	-59.2	-43.6	177.2	-170.4	78.7	0	0	0	112	N643 H644 C648 Q649 Q650	N643-L646 HydrophobicContact CB-CB 4.38Å; N643-L646 HydrophobicContact CB-CD2 4.45Å; N643-L646 PolarHBondContact O-N 3.25Å; H644-L646 VanDerWaalsContact C-N 3.35Å; H644-L646 PolarHBondContact O-N 3.48Å; L646-C648 VanDerWaalsContact C-N 3.31Å; L646-C648 PolarHBondContact O-N 3.06Å; L646-Q649 WeakPolarHBondContact O-CB 3.31Å; L646-Q649 PolarHBondContact O-N 3.16Å; L646-Q650 WeakPolarHBondContact O-CB 3.28Å; L646-Q650 VanDerWaalsContact O-CG 3.28Å; L646-Q650 WeakPolarHBondContact O-CG 3.37Å; L646-Q650 PolarHBondContact O-N 3.25Å
647	I	71.7	Confident	71.3	Confident	25.3333 Å²	25.3333	75.6 Å²	75.6	13%	0.13	40%	0.398	C	S	.	.	H	α-helix	trans	-65.2	-39.3	178.4	-64.6	166.8	0	0	0	110.6	L632 F636 N643 H644 E645 Q650 F651 I864	L632-I647 HydrophobicContact CD2-CG2 3.63Å; F636-I647 HydrophobicContact CE1-CB 3.88Å; F636-I647 HydrophobicContact CE1-CD1 4.1Å; F636-I647 HydrophobicContact CE1-CG2 3.76Å; F636-I647 HydrophobicContact CZ-CB 4.03Å; F636-I647 HydrophobicContact CZ-CG2 3.71Å; N643-I647 HydrophobicContact CB-CD1 4.46Å; N643-I647 WeakPolarHBondContact O-CG1 3.33Å; N643-I647 PolarHBondContact O-N 3.35Å; N643-I647 VanDerWaalsContact O-N 3.11Å; H644-I647 PolarHBondContact O-N 2.94Å; E645-I647 VanDerWaalsContact C-N 3.33Å; E645-I647 PolarHBondContact O-N 2.96Å; I647-Q650 PolarHBondContact O-N 3.31Å; I647-F651 WeakPolarHBondContact O-CB 3.3Å; I647-F651 PolarHBondContact O-N 3.04Å; I647-I864 HydrophobicContact CG2-CD1 3.69Å; I647-I864 HydrophobicContact CG2-CG2 4.45Å
648	C	78.9	Confident	72.7	Confident	38.3333 Å²	38.3333	67.1 Å²	67.1	26%	0.259	36%	0.361	S	S	.	.	H	α-helix	trans	-63.3	-44.2	173.5	-111.5	0	0	0	0	112.2	F636 H644 E645 L646 Q650 F651 I652	F636-C648 HydrophobicContact CE1-CB 4.42Å; F636-C648 HydrophobicContact CE2-CB 4.27Å; F636-C648 WeakPolarHBondContact CE2-SG 3.32Å; F636-C648 HydrophobicContact CZ-CB 3.59Å; F636-C648 VanDerWaalsContact CZ-SG 3.59Å; F636-C648 WeakPolarHBondContact CZ-SG 3.37Å; H644-C648 PolarHBondContact O-N 3.06Å; H644-C648 VanDerWaalsContact O-N 3.11Å; H644-C648 PolarHBondContact O-SG 3.03Å; E645-C648 WeakPolarHBondContact O-CA 3.44Å; E645-C648 VanDerWaalsContact O-CB 3.27Å; E645-C648 WeakPolarHBondContact O-CB 3.42Å; E645-C648 PolarHBondContact O-N 3.27Å; L646-C648 VanDerWaalsContact C-N 3.31Å; L646-C648 PolarHBondContact O-N 3.06Å; C648-Q650 VanDerWaalsContact C-N 3.3Å; C648-Q650 PolarHBondContact O-N 3.14Å; C648-F651 PolarHBondContact O-N 3.28Å; C648-I652 WeakPolarHBondContact O-CB 3.46Å; C648-I652 WeakPolarHBondContact O-CD1 3.42Å; C648-I652 VanDerWaalsContact O-CG1 3.28Å; C648-I652 WeakPolarHBondContact O-CG1 3.29Å; C648-I652 PolarHBondContact O-N 3.2Å
649	Q	78.9	Confident	74.3	Confident	87.6667 Å²	87.6667	64.2 Å²	64.2	41%	0.41	34%	0.338	S	S	.	.	H	α-helix	trans	-60.5	-42.9	176.2	-69.5	171.5	2.8	0	0	111.5	E645 L646 I652 S653	E645-Q649 WeakPolarHBondContact O-CB 3.27Å; E645-Q649 VanDerWaalsContact O-CG 3.25Å; E645-Q649 WeakPolarHBondContact O-CG 3.37Å; E645-Q649 PolarHBondContact O-N 3.39Å; E645-Q649 PolarHBondContact OE1-NE2 2.9Å; L646-Q649 WeakPolarHBondContact O-CB 3.31Å; L646-Q649 PolarHBondContact O-N 3.16Å; Q649-I652 PolarHBondContact O-N 3.18Å; Q649-S653 WeakPolarHBondContact O-CB 3.37Å; Q649-S653 PolarHBondContact O-N 3.01Å
650	Q	78	Confident	76.4	Confident	36 Å²	36	60.3 Å²	60.3	17%	0.168	32%	0.32	C	S	.	.	H	α-helix	trans	-66.5	-41.2	177.9	-71	164	-10.6	0	0	112.3	L646 I647 C648 S653 F654 I864 A868	L646-Q650 WeakPolarHBondContact O-CB 3.28Å; L646-Q650 VanDerWaalsContact O-CG 3.28Å; L646-Q650 WeakPolarHBondContact O-CG 3.37Å; L646-Q650 PolarHBondContact O-N 3.25Å; I647-Q650 PolarHBondContact O-N 3.31Å; C648-Q650 VanDerWaalsContact C-N 3.3Å; C648-Q650 PolarHBondContact O-N 3.14Å; Q650-S653 WeakPolarHBondContact O-CB 3.45Å; Q650-S653 PolarHBondContact O-N 3.27Å; Q650-F654 WeakPolarHBondContact O-CB 3.43Å; Q650-F654 PolarHBondContact O-N 3.32Å; Q650-I864 HydrophobicContact CB-CG2 3.89Å; Q650-A868 HydrophobicContact CB-CB 4.4Å
651	F	83.1	Confident	78.3	Confident	21 Å²	21	55.3 Å²	55.3	9%	0.092	29%	0.289	C	S	.	.	H	α-helix	trans	-63	-42.2	174.2	179.1	-111.2	0	0	0	112.2	L625 L628 L632 I647 C648 F654 I655 I864	L625-F651 HydrophobicContact CD1-CE2 3.63Å; L625-F651 HydrophobicContact CD1-CZ 3.61Å; L625-F651 HydrophobicContact CG-CZ 4.31Å; L628-F651 HydrophobicContact CB-CE2 4.04Å; L628-F651 HydrophobicContact CB-CZ 4.23Å; L628-F651 HydrophobicContact CD1-CE2 4.17Å; L628-F651 HydrophobicContact CD2-CD2 3.61Å; L628-F651 HydrophobicContact CD2-CE2 3.21Å; L628-F651 HydrophobicContact CD2-CG 4.43Å; L628-F651 HydrophobicContact CD2-CZ 3.71Å; L632-F651 HydrophobicContact CD1-CB 4.11Å; L632-F651 HydrophobicContact CD1-CD1 3.91Å; L632-F651 HydrophobicContact CD1-CD2 3.92Å; L632-F651 HydrophobicContact CD1-CE1 4.09Å; L632-F651 HydrophobicContact CD1-CE2 4.14Å; L632-F651 HydrophobicContact CD1-CG 3.72Å; L632-F651 HydrophobicContact CD1-CZ 4.36Å; I647-F651 WeakPolarHBondContact O-CB 3.3Å; I647-F651 PolarHBondContact O-N 3.04Å; C648-F651 PolarHBondContact O-N 3.28Å; F651-F654 PolarHBondContact O-N 2.93Å; F651-I655 HydrophobicContact CD1-CD1 3.99Å; F651-I655 HydrophobicContact CD2-CD1 4.38Å; F651-I655 HydrophobicContact CE1-CD1 3.56Å; F651-I655 HydrophobicContact CE2-CD1 4.18Å; F651-I655 HydrophobicContact CE2-CG1 4.25Å; F651-I655 HydrophobicContact CG-CD1 4.41Å; F651-I655 HydrophobicContact CZ-CD1 3.68Å; F651-I655 VanDerWaalsContact CZ-CD1 3.48Å; F651-I655 HydrophobicContact CZ-CG1 4.36Å; F651-I655 WeakPolarHBondContact O-CG1 3.25Å; F651-I655 PolarHBondContact O-N 3.36Å; F651-I655 VanDerWaalsContact O-N 3.11Å; F651-I864 HydrophobicContact CB-CG2 4.2Å; F651-I864 HydrophobicContact CD2-CD1 4.45Å
652	I	84	Confident	80.1	Confident	67.6667 Å²	67.6667	49.6 Å²	49.6	35%	0.347	26%	0.258	S	S	.	.	H	α-helix	trans	-66.9	-38.7	174.8	-68.2	165.5	0	0	0	111	C648 Q649 I655 N656	C648-I652 WeakPolarHBondContact O-CB 3.46Å; C648-I652 WeakPolarHBondContact O-CD1 3.42Å; C648-I652 VanDerWaalsContact O-CG1 3.28Å; C648-I652 WeakPolarHBondContact O-CG1 3.29Å; C648-I652 PolarHBondContact O-N 3.2Å; Q649-I652 PolarHBondContact O-N 3.18Å; I652-I655 PolarHBondContact O-N 3.02Å; I652-N656 VanDerWaalsContact O-CB 3.26Å; I652-N656 WeakPolarHBondContact O-CB 3.45Å; I652-N656 VanDerWaalsContact O-CG 3.23Å; I652-N656 PolarHBondContact O-N 3.17Å; I652-N656 PolarHBondContact O-ND2 3.29Å
653	S	82.9	Confident	81.8	Confident	47.3333 Å²	47.3333	44.3 Å²	44.3	33%	0.331	23%	0.231	S	C	.	.	H	α-helix	trans	-60.9	-48.4	173.9	-165.1	0	0	0	0	111.3	Q649 Q650 I655 N656 D657	Q649-S653 WeakPolarHBondContact O-CB 3.37Å; Q649-S653 PolarHBondContact O-N 3.01Å; Q650-S653 WeakPolarHBondContact O-CB 3.45Å; Q650-S653 PolarHBondContact O-N 3.27Å; S653-I655 VanDerWaalsContact C-N 3.29Å; S653-I655 PolarHBondContact O-N 3.02Å; S653-N656 CarbonylContact O-C 3.51Å; S653-N656 WeakPolarHBondContact O-CA 3.49Å; S653-N656 WeakPolarHBondContact O-CB 3.39Å; S653-N656 PolarHBondContact O-N 3.02Å; S653-N656 VanDerWaalsContact O-N 3.12Å; S653-D657 WeakPolarHBondContact O-CB 3.39Å; S653-D657 VanDerWaalsContact O-CG 3.26Å; S653-D657 PolarHBondContact O-N 3.17Å; S653-D657 PolarHBondContact OG-OD2 2.74Å
654	F	85.7	Confident	83.2	Confident	3.66667 Å²	3.66667	40.5 Å²	40.5	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-55.8	-46.6	176.8	167.1	-107	0	0	0	112.7	L622 L625 Q650 F651 N656 D657 I658 I712 L720 L867 A868 A871	L622-F654 HydrophobicContact CD2-CE1 4.45Å; L625-F654 HydrophobicContact CD1-CE1 4.38Å; Q650-F654 WeakPolarHBondContact O-CB 3.43Å; Q650-F654 PolarHBondContact O-N 3.32Å; F651-F654 PolarHBondContact O-N 2.93Å; F654-N656 VanDerWaalsContact C-N 3.29Å; F654-N656 PolarHBondContact O-N 2.91Å; F654-D657 PolarHBondContact O-N 3.19Å; F654-I658 HydrophobicContact CD1-CD1 4.47Å; F654-I658 HydrophobicContact CD2-CD1 4.1Å; F654-I658 HydrophobicContact CE1-CD1 3.96Å; F654-I658 HydrophobicContact CE2-CD1 3.43Å; F654-I658 VanDerWaalsContact CE2-CD1 3.45Å; F654-I658 HydrophobicContact CE2-CG1 4.28Å; F654-I658 HydrophobicContact CZ-CD1 3.35Å; F654-I658 PolarHBondContact O-N 3.21Å; F654-I658 VanDerWaalsContact O-N 3.1Å; F654-I712 HydrophobicContact CE2-CG2 4.42Å; F654-L720 HydrophobicContact CZ-CD1 4.15Å; F654-L720 HydrophobicContact CZ-CD2 3.98Å; F654-L867 HydrophobicContact CD2-CB 3.77Å; F654-L867 WeakPolarHBondContact CD2-O 3.31Å; F654-L867 HydrophobicContact CE2-CB 3.74Å; F654-L867 HydrophobicContact CE2-CD2 3.79Å; F654-L867 HydrophobicContact CE2-CG 4.28Å; F654-L867 HydrophobicContact CG-CB 4.3Å; F654-L867 HydrophobicContact CZ-CB 4.27Å; F654-L867 HydrophobicContact CZ-CD1 4.35Å; F654-L867 HydrophobicContact CZ-CD2 3.89Å; F654-L867 HydrophobicContact CZ-CG 4.44Å; F654-A868 HydrophobicContact CB-CB 4.09Å; F654-A871 HydrophobicContact CD2-CB 3.74Å; F654-A871 HydrophobicContact CE2-CB 4.04Å
655	I	87.5	Confident	84.4	Confident	27 Å²	27	38.5 Å²	38.5	14%	0.138	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-45.1	174.8	-71.3	171.8	0	0	0	110.9	L625 F651 I652 S653 I658 Y659	L625-I655 HydrophobicContact CD1-CD1 4.13Å; L625-I655 HydrophobicContact CD1-CG1 4.2Å; L625-I655 HydrophobicContact CD2-CD1 4.34Å; L625-I655 HydrophobicContact CD2-CG1 4.45Å; F651-I655 HydrophobicContact CD1-CD1 3.99Å; F651-I655 HydrophobicContact CD2-CD1 4.38Å; F651-I655 HydrophobicContact CE1-CD1 3.56Å; F651-I655 HydrophobicContact CE2-CD1 4.18Å; F651-I655 HydrophobicContact CE2-CG1 4.25Å; F651-I655 HydrophobicContact CG-CD1 4.41Å; F651-I655 HydrophobicContact CZ-CD1 3.68Å; F651-I655 VanDerWaalsContact CZ-CD1 3.48Å; F651-I655 HydrophobicContact CZ-CG1 4.36Å; F651-I655 WeakPolarHBondContact O-CG1 3.25Å; F651-I655 PolarHBondContact O-N 3.36Å; F651-I655 VanDerWaalsContact O-N 3.11Å; I652-I655 PolarHBondContact O-N 3.02Å; S653-I655 VanDerWaalsContact C-N 3.29Å; S653-I655 PolarHBondContact O-N 3.02Å; I655-I658 PolarHBondContact O-N 3.37Å; I655-Y659 HydrophobicContact CG2-CD2 3.49Å; I655-Y659 VanDerWaalsContact CG2-CD2 3.48Å; I655-Y659 HydrophobicContact CG2-CE2 3.44Å; I655-Y659 VanDerWaalsContact CG2-CE2 3.44Å; I655-Y659 WeakPolarHBondContact O-CB 3.39Å; I655-Y659 WeakPolarHBondContact O-CD2 3.26Å; I655-Y659 PolarHBondContact O-N 2.96Å
656	N	88.7	Confident	85.5	Confident	69.6667 Å²	69.6667	33.1 Å²	33.1	37%	0.373	18%	0.176	S	C	.	.	H	α-helix	trans	-65.7	-39.4	179.7	-73.1	-23.2	0	0	0	112.2	I652 S653 F654 Y659 T660	I652-N656 VanDerWaalsContact O-CB 3.26Å; I652-N656 WeakPolarHBondContact O-CB 3.45Å; I652-N656 VanDerWaalsContact O-CG 3.23Å; I652-N656 PolarHBondContact O-N 3.17Å; I652-N656 PolarHBondContact O-ND2 3.29Å; S653-N656 CarbonylContact O-C 3.51Å; S653-N656 WeakPolarHBondContact O-CA 3.49Å; S653-N656 WeakPolarHBondContact O-CB 3.39Å; S653-N656 PolarHBondContact O-N 3.02Å; S653-N656 VanDerWaalsContact O-N 3.12Å; F654-N656 VanDerWaalsContact C-N 3.29Å; F654-N656 PolarHBondContact O-N 2.91Å; N656-Y659 PolarHBondContact O-N 2.79Å; N656-T660 VanDerWaalsContact O-CB 3.25Å; N656-T660 WeakPolarHBondContact O-CB 3.35Å; N656-T660 PolarHBondContact O-N 3.12Å; N656-T660 PolarHBondContact O-OG1 3.16Å
657	D	87.3	Confident	86.5	Confident	33 Å²	33	35.3 Å²	35.3	18%	0.176	18%	0.184	C	C	.	.	H	α-helix	trans	-64.6	-46.5	178.1	-72.2	-40.4	0	0	0	110.7	S653 F654 T660 C661 A871 S872	S653-D657 WeakPolarHBondContact O-CB 3.39Å; S653-D657 VanDerWaalsContact O-CG 3.26Å; S653-D657 PolarHBondContact O-N 3.17Å; S653-D657 PolarHBondContact OG-OD2 2.74Å; F654-D657 PolarHBondContact O-N 3.19Å; D657-T660 PolarHBondContact O-N 3.06Å; D657-C661 WeakPolarHBondContact O-CB 3.39Å; D657-C661 PolarHBondContact O-N 3.08Å; D657-A871 HydrophobicContact CB-CB 4.39Å; D657-S872 VanDerWaalsContact OD2-CB 3.27Å; D657-S872 WeakPolarHBondContact OD2-CB 3.39Å
658	I	89.6	Confident	87.4	Confident	6 Å²	6	37.3 Å²	37.3	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-60.5	-50.9	174.9	-72.7	178.3	0	0	0	111.2	L622 F654 I655 T660 C661 F662 I709 I712 A871	L622-I658 HydrophobicContact CD2-CD1 4.49Å; F654-I658 HydrophobicContact CD1-CD1 4.47Å; F654-I658 HydrophobicContact CD2-CD1 4.1Å; F654-I658 HydrophobicContact CE1-CD1 3.96Å; F654-I658 HydrophobicContact CE2-CD1 3.43Å; F654-I658 VanDerWaalsContact CE2-CD1 3.45Å; F654-I658 HydrophobicContact CE2-CG1 4.28Å; F654-I658 HydrophobicContact CZ-CD1 3.35Å; F654-I658 PolarHBondContact O-N 3.21Å; F654-I658 VanDerWaalsContact O-N 3.1Å; I655-I658 PolarHBondContact O-N 3.37Å; I658-T660 VanDerWaalsContact C-N 3.32Å; I658-T660 PolarHBondContact O-N 3.19Å; I658-C661 VanDerWaalsContact O-CB 3.31Å; I658-C661 WeakPolarHBondContact O-CB 3.32Å; I658-C661 PolarHBondContact O-N 3.28Å; I658-C661 VanDerWaalsContact O-N 3.13Å; I658-F662 HydrophobicContact CG2-CD1 4.37Å; I658-F662 HydrophobicContact CG2-CD2 4.25Å; I658-F662 HydrophobicContact CG2-CE1 4.02Å; I658-F662 HydrophobicContact CG2-CE2 3.88Å; I658-F662 HydrophobicContact CG2-CG 4.48Å; I658-F662 HydrophobicContact CG2-CZ 3.77Å; I658-F662 PolarHBondContact O-N 3Å; I658-I709 HydrophobicContact CD1-CD1 4.09Å; I658-I709 HydrophobicContact CG2-CD1 4.19Å; I658-I712 HydrophobicContact CD1-CD1 4.38Å; I658-I712 HydrophobicContact CG1-CD1 4.11Å; I658-A871 HydrophobicContact CG1-CB 4.39Å
659	Y	90.3	Very high	88	Confident	19.6667 Å²	19.6667	37.7 Å²	37.7	8%	0.077	19%	0.193	C	C	.	.	H	α-helix	trans	-69.4	-28	-178.5	-70	-39.3	0	0	0	113.1	I655 N656 C661 F662 D663 L676 A678 Y681	I655-Y659 HydrophobicContact CG2-CD2 3.49Å; I655-Y659 VanDerWaalsContact CG2-CD2 3.48Å; I655-Y659 HydrophobicContact CG2-CE2 3.44Å; I655-Y659 VanDerWaalsContact CG2-CE2 3.44Å; I655-Y659 WeakPolarHBondContact O-CB 3.39Å; I655-Y659 WeakPolarHBondContact O-CD2 3.26Å; I655-Y659 PolarHBondContact O-N 2.96Å; N656-Y659 PolarHBondContact O-N 2.79Å; Y659-C661 VanDerWaalsContact C-N 3.33Å; Y659-C661 PolarHBondContact O-N 2.94Å; Y659-F662 AromaticContact CD1-CD2 3.92Å; Y659-F662 HydrophobicContact CD1-CD2 3.92Å; Y659-F662 HydrophobicContact CD1-CE2 4.36Å; Y659-F662 HydrophobicContact CE1-CD2 4.31Å; Y659-F662 HydrophobicContact CE1-CE2 4.43Å; Y659-F662 PolarHBondContact O-N 2.8Å; Y659-D663 WeakPolarHBondContact O-CB 3.33Å; Y659-D663 VanDerWaalsContact O-CG 3.23Å; Y659-D663 PolarHBondContact O-N 2.96Å; Y659-L676 HydrophobicContact CD1-CD1 3.96Å; Y659-L676 HydrophobicContact CD2-CD1 3.81Å; Y659-L676 HydrophobicContact CD2-CD2 4.05Å; Y659-L676 HydrophobicContact CD2-CG 4.39Å; Y659-L676 HydrophobicContact CE1-CD1 3.88Å; Y659-L676 HydrophobicContact CE2-CD1 3.7Å; Y659-L676 HydrophobicContact CE2-CD2 4.2Å; Y659-L676 HydrophobicContact CE2-CG 4.38Å; Y659-L676 HydrophobicContact CG-CD1 3.94Å; Y659-L676 HydrophobicContact CG-CD2 4.08Å; Y659-A678 PolarHBondContact OH-O 3Å; Y659-Y681 AromaticContact CD1-CD2 3.63Å; Y659-Y681 HydrophobicContact CD1-CD2 3.63Å; Y659-Y681 HydrophobicContact CD1-CE2 4.13Å; Y659-Y681 HydrophobicContact CD1-CG 4.48Å; Y659-Y681 AromaticContact CE1-CD2 3.87Å; Y659-Y681 HydrophobicContact CE1-CD2 3.87Å; Y659-Y681 HydrophobicContact CE1-CG 4.46Å; Y659-Y681 HydrophobicContact CG-CD2 4.46Å
660	T	90.1	Very high	88.5	Confident	55 Å²	55	36.5 Å²	36.5	34%	0.337	19%	0.194	S	C	.	.	H	α-helix	trans	-67	-38.4	170.6	-57.7	0	0	0	0	111	N656 D657 I658 D663 Y664 M879 L909	N656-T660 VanDerWaalsContact O-CB 3.25Å; N656-T660 WeakPolarHBondContact O-CB 3.35Å; N656-T660 PolarHBondContact O-N 3.12Å; N656-T660 PolarHBondContact O-OG1 3.16Å; D657-T660 PolarHBondContact O-N 3.06Å; I658-T660 VanDerWaalsContact C-N 3.32Å; I658-T660 PolarHBondContact O-N 3.19Å; T660-D663 PolarHBondContact O-N 3.27Å; T660-Y664 WeakPolarHBondContact O-CB 3.29Å; T660-Y664 PolarHBondContact O-N 3.25Å; T660-M879 HydrophobicContact CG2-SD 4.34Å; T660-L909 HydrophobicContact CG2-CD2 3.87Å
661	C	90.2	Very high	89.1	Confident	0.333333 Å²	0.333333	35.2 Å²	35.2	0%	0.002	19%	0.189	C	C	.	.	H	α-helix	trans	-67	-40.3	174.2	-160.9	0	0	0	0	112.2	D657 I658 Y659 Y664 L665 I708 C875	D657-C661 WeakPolarHBondContact O-CB 3.39Å; D657-C661 PolarHBondContact O-N 3.08Å; I658-C661 VanDerWaalsContact O-CB 3.31Å; I658-C661 WeakPolarHBondContact O-CB 3.32Å; I658-C661 PolarHBondContact O-N 3.28Å; I658-C661 VanDerWaalsContact O-N 3.13Å; Y659-C661 VanDerWaalsContact C-N 3.33Å; Y659-C661 PolarHBondContact O-N 2.94Å; C661-Y664 PolarHBondContact O-N 3.12Å; C661-L665 PolarHBondContact O-N 3.22Å; C661-I708 VanDerWaalsContact SG-CD1 3.59Å; C661-C875 HydrophobicContact CB-CB 3.85Å; C661-C875 VanDerWaalsContact CB-SG 3.5Å; C661-C875 WeakPolarHBondContact CB-SG 3.26Å; C661-C875 VanDerWaalsContact SG-SG 3.61Å
662	F	92.6	Very high	89.5	Confident	4.33333 Å²	4.33333	36.8 Å²	36.8	2%	0.019	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-40.4	173.9	-72.5	1.9	0	0	0	112.2	I658 Y659 Y664 L665 A666 Y681 M705 I709 L722	I658-F662 HydrophobicContact CG2-CD1 4.37Å; I658-F662 HydrophobicContact CG2-CD2 4.25Å; I658-F662 HydrophobicContact CG2-CE1 4.02Å; I658-F662 HydrophobicContact CG2-CE2 3.88Å; I658-F662 HydrophobicContact CG2-CG 4.48Å; I658-F662 HydrophobicContact CG2-CZ 3.77Å; I658-F662 PolarHBondContact O-N 3Å; Y659-F662 AromaticContact CD1-CD2 3.92Å; Y659-F662 HydrophobicContact CD1-CD2 3.92Å; Y659-F662 HydrophobicContact CD1-CE2 4.36Å; Y659-F662 HydrophobicContact CE1-CD2 4.31Å; Y659-F662 HydrophobicContact CE1-CE2 4.43Å; Y659-F662 PolarHBondContact O-N 2.8Å; F662-Y664 VanDerWaalsContact C-N 3.32Å; F662-Y664 PolarHBondContact O-N 3.11Å; F662-L665 PolarHBondContact O-N 3.16Å; F662-A666 VanDerWaalsContact O-CB 3.28Å; F662-A666 WeakPolarHBondContact O-CB 3.41Å; F662-A666 PolarHBondContact O-N 3.16Å; F662-Y681 HydrophobicContact CB-CD2 4.5Å; F662-Y681 HydrophobicContact CB-CE1 4.24Å; F662-Y681 HydrophobicContact CB-CE2 3.92Å; F662-Y681 HydrophobicContact CD2-CD1 4.5Å; F662-Y681 HydrophobicContact CD2-CD2 4.25Å; F662-Y681 HydrophobicContact CD2-CE2 4.41Å; F662-Y681 HydrophobicContact CD2-CG 4.32Å; F662-Y681 PolarHBondContact O-OH 3.01Å; F662-M705 HydrophobicContact CB-CE 3.99Å; F662-M705 HydrophobicContact CD1-CB 4.5Å; F662-M705 HydrophobicContact CD1-CG 3.95Å; F662-M705 HydrophobicContact CD2-CE 4.22Å; F662-M705 HydrophobicContact CE1-CB 4.06Å; F662-M705 HydrophobicContact CE1-CG 4Å; F662-M705 HydrophobicContact CG-CE 4.03Å; F662-M705 HydrophobicContact CG-CG 4.3Å; F662-M705 HydrophobicContact CZ-CB 4.3Å; F662-M705 HydrophobicContact CZ-CG 4.39Å; F662-I709 HydrophobicContact CE1-CD1 4.26Å; F662-I709 HydrophobicContact CE1-CG1 4.19Å; F662-I709 HydrophobicContact CZ-CD1 3.9Å; F662-I709 HydrophobicContact CZ-CG1 3.82Å; F662-L722 HydrophobicContact CE2-CD1 4.2Å; F662-L722 HydrophobicContact CZ-CD1 4.18Å; F662-L722 HydrophobicContact CZ-CD2 4.13Å
663	D	91.8	Very high	89.9	Confident	33.3333 Å²	33.3333	37.3 Å²	37.3	18%	0.178	19%	0.192	C	C	.	.	H	α-helix	trans	-63.1	-37.9	174	-75.7	7.4	0	0	0	111.5	Y659 T660 A666 Q667 R673 Y681	Y659-D663 WeakPolarHBondContact O-CB 3.33Å; Y659-D663 VanDerWaalsContact O-CG 3.23Å; Y659-D663 PolarHBondContact O-N 2.96Å; T660-D663 PolarHBondContact O-N 3.27Å; D663-A666 PolarHBondContact O-N 3.06Å; D663-Q667 VanDerWaalsContact O-CG 3.29Å; D663-Q667 WeakPolarHBondContact O-CG 3.37Å; D663-Q667 PolarHBondContact O-N 3.11Å; D663-R673 VanDerWaalsContact CG-NE 3.29Å; D663-R673 WeakPolarHBondContact OD1-CD 3.34Å; D663-R673 IonicContact OD1-CZ 3.29Å; D663-R673 IonicContact OD1-NE 2.72Å; D663-R673 PolarHBondContact OD1-NE 2.89Å; D663-R673 IonicContact OD1-NH1 3.54Å; D663-R673 PolarHBondContact OD1-NH1 3.29Å; D663-R673 IonicContact OD2-CZ 2.95Å; D663-R673 IonicContact OD2-NE 3.43Å; D663-R673 PolarHBondContact OD2-NE 2.78Å; D663-R673 IonicContact OD2-NH1 3.01Å; D663-R673 PolarHBondContact OD2-NH1 2.94Å; D663-R673 IonicContact OD2-NH2 2.82Å; D663-R673 PolarHBondContact OD2-NH2 3.44Å; D663-Y681 WeakPolarHBondContact CA-OH 3.46Å; D663-Y681 PolarHBondContact N-OH 3.01Å; D663-Y681 VanDerWaalsContact OD1-CE2 3.27Å; D663-Y681 WeakPolarHBondContact OD1-CE2 3.31Å; D663-Y681 PolarHBondContact OD1-OH 3.06Å
664	Y	91.6	Very high	90.2	Very high	28.3333 Å²	28.3333	35.9 Å²	35.9	11%	0.111	18%	0.181	C	C	.	.	H	α-helix	trans	-67.4	-43.9	174	-176.7	-106.3	0	0	0	112.5	T660 C661 F662 A666 Q667 N668 V878 M879 N882 N883 L907	T660-Y664 WeakPolarHBondContact O-CB 3.29Å; T660-Y664 PolarHBondContact O-N 3.25Å; C661-Y664 PolarHBondContact O-N 3.12Å; F662-Y664 VanDerWaalsContact C-N 3.32Å; F662-Y664 PolarHBondContact O-N 3.11Å; Y664-A666 VanDerWaalsContact C-N 3.35Å; Y664-A666 PolarHBondContact O-N 3.02Å; Y664-Q667 PolarHBondContact O-N 3.2Å; Y664-N668 WeakPolarHBondContact CD1-ND2 3.42Å; Y664-N668 WeakPolarHBondContact CE1-ND2 3.28Å; Y664-N668 VanDerWaalsContact O-CG 3.26Å; Y664-N668 PolarHBondContact O-N 3.05Å; Y664-N668 PolarHBondContact O-ND2 3.29Å; Y664-N668 VanDerWaalsContact O-ND2 3.14Å; Y664-V878 HydrophobicContact CD1-CG1 4.39Å; Y664-V878 HydrophobicContact CE1-CG1 4.47Å; Y664-M879 HydrophobicContact CD1-CG 3.89Å; Y664-M879 HydrophobicContact CD2-CG 4.28Å; Y664-M879 HydrophobicContact CE1-CB 4.44Å; Y664-M879 HydrophobicContact CE1-CG 4.2Å; Y664-M879 HydrophobicContact CE2-CG 4.41Å; Y664-M879 HydrophobicContact CG-CG 3.92Å; Y664-M879 PolarHBondContact OH-O 3.26Å; Y664-N882 HydrophobicContact CE1-CB 4.29Å; Y664-N882 VanDerWaalsContact OH-CB 3.29Å; Y664-N882 WeakPolarHBondContact OH-CB 3.41Å; Y664-N883 PolarHBondContact OH-OD1 3.17Å; Y664-L907 HydrophobicContact CD2-CD2 4.23Å
665	L	92.5	Very high	90.3	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.052	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-43.5	172.4	-74.9	-173.9	0	0	0	111.8	C661 F662 Q667 N668 E669 L701 N704 M705 I708	C661-L665 PolarHBondContact O-N 3.22Å; F662-L665 PolarHBondContact O-N 3.16Å; L665-Q667 VanDerWaalsContact C-N 3.32Å; L665-Q667 PolarHBondContact O-N 3.1Å; L665-N668 PolarHBondContact O-N 3.18Å; L665-E669 WeakPolarHBondContact O-CG 3.38Å; L665-E669 PolarHBondContact O-N 3.38Å; L665-L701 HydrophobicContact CB-CD1 3.58Å; L665-N704 HydrophobicContact CD1-CB 3.88Å; L665-N704 HydrophobicContact CD2-CB 4.22Å; L665-M705 HydrophobicContact CD1-CG 4.08Å; L665-I708 HydrophobicContact CD1-CD1 3.67Å; L665-I708 HydrophobicContact CD1-CG1 4.49Å; L665-I708 HydrophobicContact CD2-CD1 4.23Å; L665-I708 HydrophobicContact CG-CD1 4.09Å
666	A	92.5	Very high	90.1	Very high	2.66667 Å²	2.66667	39.8 Å²	39.8	2%	0.022	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-41.9	179	0	0	0	0	0	111.2	F662 D663 Y664 E669 S670 C671 L701	F662-A666 VanDerWaalsContact O-CB 3.28Å; F662-A666 WeakPolarHBondContact O-CB 3.41Å; F662-A666 PolarHBondContact O-N 3.16Å; D663-A666 PolarHBondContact O-N 3.06Å; Y664-A666 VanDerWaalsContact C-N 3.35Å; Y664-A666 PolarHBondContact O-N 3.02Å; A666-E669 CarbonylContact O-C 3.55Å; A666-E669 PolarHBondContact O-N 2.93Å; A666-S670 CarbonylContact O-C 3.56Å; A666-S670 WeakPolarHBondContact O-CA 3.41Å; A666-S670 PolarHBondContact O-N 3.14Å; A666-S670 VanDerWaalsContact O-N 3.15Å; A666-C671 CarbonylContact C-O 3.51Å; A666-C671 HydrophobicContact CB-CB 4.29Å; A666-C671 PolarHBondContact O-N 3.07Å; A666-C671 VanDerWaalsContact O-O 3.11Å; A666-L701 HydrophobicContact CB-CD1 4.44Å; A666-L701 HydrophobicContact CB-CD2 4.22Å
667	Q	89.7	Confident	89.7	Confident	125.667 Å²	125.667	39.2 Å²	39.2	59%	0.587	19%	0.194	S	C	*	.	H	α-helix	trans	-61.5	-45.5	173.4	-73.3	169.3	21	0	0	112.4	D663 Y664 L665 E669 S670	D663-Q667 VanDerWaalsContact O-CG 3.29Å; D663-Q667 WeakPolarHBondContact O-CG 3.37Å; D663-Q667 PolarHBondContact O-N 3.11Å; Y664-Q667 PolarHBondContact O-N 3.2Å; L665-Q667 VanDerWaalsContact C-N 3.32Å; L665-Q667 PolarHBondContact O-N 3.1Å; Q667-E669 VanDerWaalsContact C-N 3.32Å; Q667-E669 PolarHBondContact O-N 3Å; Q667-S670 WeakPolarHBondContact O-CA 3.06Å; Q667-S670 PolarHBondContact O-N 3.15Å; Q667-S670 VanDerWaalsContact O-N 3.13Å
668	N	90.4	Very high	88.9	Confident	66.6667 Å²	66.6667	39.9 Å²	39.9	36%	0.357	21%	0.205	S	C	.	.	H	α-helix	trans	-62.1	-44.2	178	-66.6	-30	0	0	0	112.2	Y664 L665 S670 N882	Y664-N668 WeakPolarHBondContact CD1-ND2 3.42Å; Y664-N668 WeakPolarHBondContact CE1-ND2 3.28Å; Y664-N668 VanDerWaalsContact O-CG 3.26Å; Y664-N668 PolarHBondContact O-N 3.05Å; Y664-N668 PolarHBondContact O-ND2 3.29Å; Y664-N668 VanDerWaalsContact O-ND2 3.14Å; L665-N668 PolarHBondContact O-N 3.18Å; N668-S670 VanDerWaalsContact C-N 3.27Å; N668-S670 PolarHBondContact O-N 2.98Å; N668-N882 PolarHBondContact ND2-ND2 3.08Å
669	E	90.2	Very high	88.3	Confident	47.3333 Å²	47.3333	42.5 Å²	42.5	22%	0.221	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	11.1	176.4	-58.8	-67.7	172.4	0	0	112.8	L665 A666 Q667 C671 S697 L701 N704	L665-E669 WeakPolarHBondContact O-CG 3.38Å; L665-E669 PolarHBondContact O-N 3.38Å; A666-E669 CarbonylContact O-C 3.55Å; A666-E669 PolarHBondContact O-N 2.93Å; Q667-E669 VanDerWaalsContact C-N 3.32Å; Q667-E669 PolarHBondContact O-N 3Å; E669-C671 PolarHBondContact O-N 3.26Å; E669-C671 VanDerWaalsContact O-N 3.11Å; E669-C671 PolarHBondContact O-SG 3.33Å; E669-C671 VanDerWaalsContact O-SG 3.32Å; E669-S697 WeakPolarHBondContact O-CB 3.33Å; E669-S697 PolarHBondContact O-OG 3.04Å; E669-L701 HydrophobicContact CB-CB 4.01Å; E669-L701 HydrophobicContact CB-CD1 4.39Å; E669-L701 HydrophobicContact CG-CB 3.95Å; E669-L701 HydrophobicContact CG-CD1 4.17Å; E669-N704 PolarHBondContact OE1-ND2 2.91Å
670	S	89.5	Confident	88.2	Confident	61 Å²	61	42.3 Å²	42.3	43%	0.427	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	26.1	179	-55.2	0	0	0	0	115.3	A666 Q667 N668 R691	A666-S670 CarbonylContact O-C 3.56Å; A666-S670 WeakPolarHBondContact O-CA 3.41Å; A666-S670 PolarHBondContact O-N 3.14Å; A666-S670 VanDerWaalsContact O-N 3.15Å; Q667-S670 WeakPolarHBondContact O-CA 3.06Å; Q667-S670 PolarHBondContact O-N 3.15Å; Q667-S670 VanDerWaalsContact O-N 3.13Å; N668-S670 VanDerWaalsContact C-N 3.27Å; N668-S670 PolarHBondContact O-N 2.98Å; S670-R691 VanDerWaalsContact CB-NH1 3.33Å; S670-R691 VanDerWaalsContact O-CZ 3.27Å; S670-R691 PolarHBondContact O-NH1 3.07Å; S670-R691 PolarHBondContact O-NH2 3.28Å
671	C	91.8	Very high	88.3	Confident	9.66667 Å²	9.66667	39.8 Å²	39.8	7%	0.065	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-89.9	144.7	174.7	-65.2	0	0	0	0	111.1	A666 E669 A685 S697 L701	A666-C671 CarbonylContact C-O 3.51Å; A666-C671 HydrophobicContact CB-CB 4.29Å; A666-C671 PolarHBondContact O-N 3.07Å; A666-C671 VanDerWaalsContact O-O 3.11Å; E669-C671 PolarHBondContact O-N 3.26Å; E669-C671 VanDerWaalsContact O-N 3.11Å; E669-C671 PolarHBondContact O-SG 3.33Å; E669-C671 VanDerWaalsContact O-SG 3.32Å; C671-A685 HydrophobicContact CB-CB 4.49Å; C671-S697 PolarHBondContact SG-OG 2.9Å; C671-L701 HydrophobicContact CB-CD2 3.66Å
672	Y	91.7	Very high	88.5	Confident	55 Å²	55	39.7 Å²	39.7	22%	0.216	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.9	178.1	-174.6	-96.8	0	0	0	111.5	P586 V674 C683 I684 F743	P586-Y672 HydrophobicContact CB-CE2 4.37Å; P586-Y672 WeakPolarHBondContact CD-OH 3.44Å; P586-Y672 HydrophobicContact CG-CD1 4.46Å; P586-Y672 HydrophobicContact CG-CE1 3.74Å; P586-Y672 HydrophobicContact CG-CE2 4.28Å; Y672-V674 HydrophobicContact CD1-CG2 4.18Å; Y672-V674 PolarHBondContact O-N 3.05Å; Y672-C683 CarbonylContact O-C 3.34Å; Y672-C683 VanDerWaalsContact O-CA 3.3Å; Y672-C683 WeakPolarHBondContact O-CA 3.34Å; Y672-I684 HydrophobicContact CD1-CG2 4.25Å; Y672-I684 PolarHBondContact N-O 3.2Å; Y672-I684 PolarHBondContact O-N 3.25Å; Y672-F743 HydrophobicContact CD1-CE1 4.48Å; Y672-F743 HydrophobicContact CE1-CD1 4.11Å; Y672-F743 HydrophobicContact CE1-CE1 4.09Å
673	R	92	Very high	88.6	Confident	78.6667 Å²	78.6667	39.5 Å²	39.5	30%	0.297	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	119.5	172.3	-177.2	-171.6	65.8	164.5	0.3	110.4	D663 Y681 C683	D663-R673 VanDerWaalsContact CG-NE 3.29Å; D663-R673 WeakPolarHBondContact OD1-CD 3.34Å; D663-R673 IonicContact OD1-CZ 3.29Å; D663-R673 IonicContact OD1-NE 2.72Å; D663-R673 PolarHBondContact OD1-NE 2.89Å; D663-R673 IonicContact OD1-NH1 3.54Å; D663-R673 PolarHBondContact OD1-NH1 3.29Å; D663-R673 IonicContact OD2-CZ 2.95Å; D663-R673 IonicContact OD2-NE 3.43Å; D663-R673 PolarHBondContact OD2-NE 2.78Å; D663-R673 IonicContact OD2-NH1 3.01Å; D663-R673 PolarHBondContact OD2-NH1 2.94Å; D663-R673 IonicContact OD2-NH2 2.82Å; D663-R673 PolarHBondContact OD2-NH2 3.44Å; R673-Y681 VanDerWaalsContact CD-CE2 3.46Å; R673-Y681 HydrophobicContact CG-CE1 4.4Å; R673-Y681 HydrophobicContact CG-CE2 4.11Å; R673-C683 VanDerWaalsContact CA-SG 3.6Å
674	V	89.7	Confident	88.7	Confident	16.6667 Å²	16.6667	38 Å²	38	10%	0.101	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-59	-179.6	179.8	0	0	0	0	110.9	Y672 L682 I684 F743 L745	Y672-V674 HydrophobicContact CD1-CG2 4.18Å; Y672-V674 PolarHBondContact O-N 3.05Å; V674-L682 HydrophobicContact CB-CD2 4.41Å; V674-L682 HydrophobicContact CB-CG 4.44Å; V674-L682 HydrophobicContact CG1-CD2 4.36Å; V674-L682 PolarHBondContact N-O 3.19Å; V674-I684 HydrophobicContact CG2-CB 3.99Å; V674-I684 HydrophobicContact CG2-CG2 3.51Å; V674-I684 VanDerWaalsContact CG2-CG2 3.48Å; V674-F743 HydrophobicContact CG1-CD1 4.1Å; V674-F743 HydrophobicContact CG1-CE1 4.04Å; V674-F743 HydrophobicContact CG2-CE1 4.25Å; V674-L745 HydrophobicContact CB-CD1 4.37Å; V674-L745 HydrophobicContact CG1-CB 4.39Å; V674-L745 HydrophobicContact CG1-CD1 4.08Å; V674-L745 HydrophobicContact CG1-CG 3.82Å; V674-L745 HydrophobicContact CG2-CD1 3.75Å; V674-L745 HydrophobicContact CG2-CG 4.23Å
675	R	86	Confident	88.8	Confident	57.6667 Å²	57.6667	36.7 Å²	36.7	22%	0.218	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.3	-169	-162.4	-162.7	-65.6	152.2	-11	110.2	N677 E680 L682 D744 L745	R675-N677 VanDerWaalsContact CD-ND2 3.26Å; R675-N677 WeakPolarHBondContact CD-ND2 3.33Å; R675-N677 WeakPolarHBondContact CD-OD1 3.44Å; R675-E680 IonicContact NH1-OE2 2.84Å; R675-E680 PolarHBondContact NH1-OE2 2.96Å; R675-E680 VanDerWaalsContact NH1-OE2 3.16Å; R675-L682 HydrophobicContact CB-CB 4.03Å; R675-L682 HydrophobicContact CB-CD2 4.1Å; R675-L682 PolarHBondContact N-O 3.34Å; R675-L682 PolarHBondContact O-N 3.05Å; R675-D744 IonicContact CZ-OD1 3.44Å; R675-D744 VanDerWaalsContact CZ-OD1 3.22Å; R675-D744 IonicContact CZ-OD2 3.04Å; R675-D744 IonicContact NE-OD1 3.18Å; R675-D744 PolarHBondContact NE-OD1 3.15Å; R675-D744 IonicContact NE-OD2 3.28Å; R675-D744 PolarHBondContact NE-OD2 2.97Å; R675-D744 IonicContact NH2-OD1 3.67Å; R675-D744 PolarHBondContact NH2-OD1 3.29Å; R675-D744 IonicContact NH2-OD2 3.13Å; R675-D744 PolarHBondContact NH2-OD2 3.07Å; R675-L745 PolarHBondContact NH2-O 3.24Å
676	L	85.1	Confident	88.7	Confident	54.3333 Å²	54.3333	36.4 Å²	36.4	28%	0.284	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	104.7	173.8	-174.8	62	0	0	0	109.7	Y659 Y681	Y659-L676 HydrophobicContact CD1-CD1 3.96Å; Y659-L676 HydrophobicContact CD2-CD1 3.81Å; Y659-L676 HydrophobicContact CD2-CD2 4.05Å; Y659-L676 HydrophobicContact CD2-CG 4.39Å; Y659-L676 HydrophobicContact CE1-CD1 3.88Å; Y659-L676 HydrophobicContact CE2-CD1 3.7Å; Y659-L676 HydrophobicContact CE2-CD2 4.2Å; Y659-L676 HydrophobicContact CE2-CG 4.38Å; Y659-L676 HydrophobicContact CG-CD1 3.94Å; Y659-L676 HydrophobicContact CG-CD2 4.08Å; L676-Y681 HydrophobicContact CD1-CD2 3.64Å; L676-Y681 HydrophobicContact CD1-CE2 4.19Å; L676-Y681 HydrophobicContact CD1-CG 4.48Å
677	N	79.5	Confident	88.6	Confident	57 Å²	57	37.4 Å²	37.4	31%	0.305	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	162.9	172.8	-67.4	-27.3	0	0	0	109.4	R675 N679 E680	R675-N677 VanDerWaalsContact CD-ND2 3.26Å; R675-N677 WeakPolarHBondContact CD-ND2 3.33Å; R675-N677 WeakPolarHBondContact CD-OD1 3.44Å; N677-N679 VanDerWaalsContact C-N 3.25Å; N677-N679 PolarHBondContact O-N 3.07Å; N677-N679 VanDerWaalsContact O-N 3.09Å; N677-E680 HydrophobicContact CB-CB 4.05Å; N677-E680 WeakPolarHBondContact CB-O 3.34Å; N677-E680 PolarHBondContact N-O 3.36Å; N677-E680 PolarHBondContact ND2-OE2 3.05Å; N677-E680 VanDerWaalsContact ND2-OE2 3.16Å; N677-E680 PolarHBondContact O-N 2.87Å; N677-E680 VanDerWaalsContact O-N 3.12Å
678	A	70.8	Confident	88.3	Confident	49.3333 Å²	49.3333	33.8 Å²	33.8	41%	0.408	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-34	179.4	0	0	0	0	0	113	Y659	Y659-A678 PolarHBondContact OH-O 3Å
679	N	77	Confident	88.1	Confident	59 Å²	59	36.6 Å²	36.6	32%	0.316	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	7.2	-174.7	-55.5	9.3	0	0	0	111.9	E621 S626 N677 K757	E621-N679 VanDerWaalsContact CA-O 3.25Å; E621-N679 WeakPolarHBondContact CA-O 3.4Å; E621-N679 VanDerWaalsContact CB-O 3.24Å; E621-N679 WeakPolarHBondContact CB-O 3.35Å; E621-N679 HydrophobicContact CG-CB 4.46Å; E621-N679 VanDerWaalsContact CG-O 3.29Å; E621-N679 WeakPolarHBondContact CG-O 3.44Å; S626-N679 WeakPolarHBondContact CB-OD1 3.41Å; N677-N679 VanDerWaalsContact C-N 3.25Å; N677-N679 PolarHBondContact O-N 3.07Å; N677-N679 VanDerWaalsContact O-N 3.09Å; N679-K757 PolarHBondContact O-NZ 2.92Å
680	E	87.4	Confident	87.9	Confident	16 Å²	16	40.6 Å²	40.6	8%	0.075	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	121.8	-175.1	176	177.8	-121.7	0	0	112.3	S619 A620 R675 N677 L682 S754 K757	S619-E680 WeakPolarHBondContact CB-OE1 3.17Å; S619-E680 WeakPolarHBondContact OG-CG 3.25Å; S619-E680 PolarHBondContact OG-OE1 3.12Å; S619-E680 VanDerWaalsContact OG-OE1 3.05Å; A620-E680 CarbonylContact O-C 3.54Å; A620-E680 VanDerWaalsContact O-CA 3.29Å; A620-E680 WeakPolarHBondContact O-CA 3.4Å; R675-E680 IonicContact NH1-OE2 2.84Å; R675-E680 PolarHBondContact NH1-OE2 2.96Å; R675-E680 VanDerWaalsContact NH1-OE2 3.16Å; N677-E680 HydrophobicContact CB-CB 4.05Å; N677-E680 WeakPolarHBondContact CB-O 3.34Å; N677-E680 PolarHBondContact N-O 3.36Å; N677-E680 PolarHBondContact ND2-OE2 3.05Å; N677-E680 VanDerWaalsContact ND2-OE2 3.16Å; N677-E680 PolarHBondContact O-N 2.87Å; N677-E680 VanDerWaalsContact O-N 3.12Å; E680-L682 HydrophobicContact CG-CB 4.34Å; E680-S754 VanDerWaalsContact OE1-CB 3.24Å; E680-S754 WeakPolarHBondContact OE1-CB 3.38Å; E680-S754 PolarHBondContact OE1-OG 3.1Å; E680-K757 IonicContact OE1-NZ 3.78Å; E680-K757 PolarHBondContact OE1-NZ 3.2Å
681	Y	92.6	Very high	87.9	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112.7	167.6	-172.5	-88.2	0	0	0	108.2	S619 A620 Y659 F662 D663 R673 L676 C683 M705	S619-Y681 WeakPolarHBondContact CA-O 3.15Å; A620-Y681 PolarHBondContact N-O 3.23Å; A620-Y681 PolarHBondContact O-N 3.17Å; Y659-Y681 AromaticContact CD1-CD2 3.63Å; Y659-Y681 HydrophobicContact CD1-CD2 3.63Å; Y659-Y681 HydrophobicContact CD1-CE2 4.13Å; Y659-Y681 HydrophobicContact CD1-CG 4.48Å; Y659-Y681 AromaticContact CE1-CD2 3.87Å; Y659-Y681 HydrophobicContact CE1-CD2 3.87Å; Y659-Y681 HydrophobicContact CE1-CG 4.46Å; Y659-Y681 HydrophobicContact CG-CD2 4.46Å; F662-Y681 HydrophobicContact CB-CD2 4.5Å; F662-Y681 HydrophobicContact CB-CE1 4.24Å; F662-Y681 HydrophobicContact CB-CE2 3.92Å; F662-Y681 HydrophobicContact CD2-CD1 4.5Å; F662-Y681 HydrophobicContact CD2-CD2 4.25Å; F662-Y681 HydrophobicContact CD2-CE2 4.41Å; F662-Y681 HydrophobicContact CD2-CG 4.32Å; F662-Y681 PolarHBondContact O-OH 3.01Å; D663-Y681 WeakPolarHBondContact CA-OH 3.46Å; D663-Y681 PolarHBondContact N-OH 3.01Å; D663-Y681 VanDerWaalsContact OD1-CE2 3.27Å; D663-Y681 WeakPolarHBondContact OD1-CE2 3.31Å; D663-Y681 PolarHBondContact OD1-OH 3.06Å; R673-Y681 VanDerWaalsContact CD-CE2 3.46Å; R673-Y681 HydrophobicContact CG-CE1 4.4Å; R673-Y681 HydrophobicContact CG-CE2 4.11Å; L676-Y681 HydrophobicContact CD1-CD2 3.64Å; L676-Y681 HydrophobicContact CD1-CE2 4.19Å; L676-Y681 HydrophobicContact CD1-CG 4.48Å; Y681-C683 WeakPolarHBondContact CE1-SG 3.3Å; Y681-M705 HydrophobicContact CD1-CE 3.82Å; Y681-M705 HydrophobicContact CE1-CE 3.47Å; Y681-M705 VanDerWaalsContact CE1-CE 3.46Å
682	L	94.4	Very high	87.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.9	-175.8	-176.6	69	0	0	0	111.2	L618 V674 R675 E680 V750	L618-L682 WeakPolarHBondContact O-CA 3.31Å; V674-L682 HydrophobicContact CB-CD2 4.41Å; V674-L682 HydrophobicContact CB-CG 4.44Å; V674-L682 HydrophobicContact CG1-CD2 4.36Å; V674-L682 PolarHBondContact N-O 3.19Å; R675-L682 HydrophobicContact CB-CB 4.03Å; R675-L682 HydrophobicContact CB-CD2 4.1Å; R675-L682 PolarHBondContact N-O 3.34Å; R675-L682 PolarHBondContact O-N 3.05Å; E680-L682 HydrophobicContact CG-CB 4.34Å; L682-V750 HydrophobicContact CD2-CG1 4.4Å
683	C	94.1	Very high	87.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	156.4	175	-87.8	0	0	0	0	112.4	F617 L618 Y672 R673 Y681	F617-C683 WeakPolarHBondContact CA-O 3.45Å; L618-C683 HydrophobicContact CB-CB 4.3Å; L618-C683 HydrophobicContact CD2-CB 4.41Å; L618-C683 PolarHBondContact N-O 3.32Å; L618-C683 PolarHBondContact O-N 3.25Å; Y672-C683 CarbonylContact O-C 3.34Å; Y672-C683 VanDerWaalsContact O-CA 3.3Å; Y672-C683 WeakPolarHBondContact O-CA 3.34Å; R673-C683 VanDerWaalsContact CA-SG 3.6Å; Y681-C683 WeakPolarHBondContact CE1-SG 3.3Å
684	I	94.6	Very high	87.9	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.2	170	-170.5	169.4	0	0	0	110.4	L612 V615 T616 F617 Y672 V674 L745	L612-I684 HydrophobicContact CD1-CD1 3.48Å; L612-I684 VanDerWaalsContact CD1-CD1 3.47Å; V615-I684 HydrophobicContact CB-CD1 3.99Å; V615-I684 HydrophobicContact CB-CG1 4.19Å; V615-I684 HydrophobicContact CG1-CD1 4.25Å; V615-I684 HydrophobicContact CG2-CD1 4.11Å; T616-I684 CarbonylContact O-C 3.58Å; T616-I684 VanDerWaalsContact O-CA 3.24Å; T616-I684 WeakPolarHBondContact O-CA 3.42Å; T616-I684 WeakPolarHBondContact O-CG1 3.37Å; F617-I684 HydrophobicContact CD1-CD1 4.12Å; F617-I684 HydrophobicContact CD1-CG1 4.11Å; F617-I684 HydrophobicContact CE1-CD1 3.85Å; F617-I684 HydrophobicContact CE1-CG1 4.29Å; Y672-I684 HydrophobicContact CD1-CG2 4.25Å; Y672-I684 PolarHBondContact N-O 3.2Å; Y672-I684 PolarHBondContact O-N 3.25Å; V674-I684 HydrophobicContact CG2-CB 3.99Å; V674-I684 HydrophobicContact CG2-CG2 3.51Å; V674-I684 VanDerWaalsContact CG2-CG2 3.48Å; I684-L745 HydrophobicContact CB-CD1 4.18Å; I684-L745 HydrophobicContact CD1-CD1 3.92Å; I684-L745 HydrophobicContact CD1-CD2 4.1Å; I684-L745 HydrophobicContact CG1-CD1 4.47Å
685	A	94.2	Very high	88.1	Confident	1.33333 Å²	1.33333	44.3 Å²	44.3	1%	0.011	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	158	160.1	0	0	0	0	0	111.3	T616 C671 Y687 H694 C698	T616-A685 PolarHBondContact N-O 3.14Å; T616-A685 VanDerWaalsContact N-O 3.15Å; T616-A685 PolarHBondContact O-N 3.13Å; T616-A685 WeakPolarHBondContact OG1-CB 3.23Å; T616-A685 PolarHBondContact OG1-N 3.31Å; T616-A685 PolarHBondContact OG1-O 3.36Å; C671-A685 HydrophobicContact CB-CB 4.49Å; A685-Y687 VanDerWaalsContact C-N 3.32Å; A685-H694 HydrophobicContact CB-CB 4.1Å; A685-C698 VanDerWaalsContact CB-SG 3.53Å
686	G	89.4	Confident	88.5	Confident	5.33333 Å²	5.33333	46.8 Å²	46.8	6%	0.055	25%	0.251	C	S	.	.	S	Bend	trans	83.4	7.7	-163.2	0	0	0	0	0	113.9	E689 T690	G686-E689 CarbonylContact C-O 3.51Å; G686-E689 VanDerWaalsContact CA-O 3.26Å; G686-E689 WeakPolarHBondContact CA-O 3.38Å; G686-T690 WeakPolarHBondContact O-CA 3.41Å
687	Y	90.1	Very high	88.8	Confident	22.3333 Å²	22.3333	44.6 Å²	44.6	9%	0.088	24%	0.24	C	C	.	.	S	Bend	trans	-152.9	141.1	170.1	-175.7	-96.8	0	0	0	109.3	P586 L589 I610 L612 A685 E689 F743	P586-Y687 HydrophobicContact CG-CE1 4Å; L589-Y687 VanDerWaalsContact CD1-OH 3.26Å; L589-Y687 WeakPolarHBondContact CD1-OH 3.44Å; I610-Y687 HydrophobicContact CD1-CE2 4.43Å; I610-Y687 HydrophobicContact CG2-CE2 4.45Å; L612-Y687 HydrophobicContact CD1-CD1 4.21Å; L612-Y687 HydrophobicContact CD1-CD2 4.08Å; L612-Y687 HydrophobicContact CD1-CG 3.79Å; L612-Y687 HydrophobicContact CD2-CD2 3.36Å; L612-Y687 HydrophobicContact CD2-CE2 3.81Å; L612-Y687 HydrophobicContact CD2-CG 3.95Å; L612-Y687 HydrophobicContact CG-CD2 4.39Å; A685-Y687 VanDerWaalsContact C-N 3.32Å; Y687-E689 VanDerWaalsContact C-N 3.33Å; Y687-E689 PolarHBondContact N-O 3.25Å; Y687-F743 HydrophobicContact CD1-CZ 4.08Å; Y687-F743 HydrophobicContact CE1-CE1 4.39Å; Y687-F743 AromaticContact CE1-CE2 3.89Å; Y687-F743 HydrophobicContact CE1-CE2 3.89Å; Y687-F743 AromaticContact CE1-CZ 3.45Å; Y687-F743 HydrophobicContact CE1-CZ 3.45Å; Y687-F743 VanDerWaalsContact CE1-CZ 3.45Å
688	P	83.8	Confident	89.5	Confident	51.3333 Å²	51.3333	41.9 Å²	41.9	33%	0.333	23%	0.226	S	C	.	.	S	Bend	cis	-67	-29	2.4	27.1	-35	0	0	0	114.4	P586 P588	P586-P688 HydrophobicContact CB-CB 4.44Å; P588-P688 HydrophobicContact CG-CB 4.18Å
689	E	85.8	Confident	90.6	Very high	125 Å²	125	39.6 Å²	39.6	58%	0.584	21%	0.206	S	C	*	.	S	Bend	trans	-88.1	125.8	175.5	-69.9	172	-167.3	0	0	111.4	G686 Y687 R691	G686-E689 CarbonylContact C-O 3.51Å; G686-E689 VanDerWaalsContact CA-O 3.26Å; G686-E689 WeakPolarHBondContact CA-O 3.38Å; Y687-E689 VanDerWaalsContact C-N 3.33Å; Y687-E689 PolarHBondContact N-O 3.25Å; E689-R691 HydrophobicContact CB-CG 4.32Å; E689-R691 VanDerWaalsContact CD-NH2 3.27Å; E689-R691 PolarHBondContact O-N 3.38Å; E689-R691 IonicContact OE1-NH2 3.87Å; E689-R691 IonicContact OE2-CZ 3.22Å; E689-R691 IonicContact OE2-NE 3.72Å; E689-R691 PolarHBondContact OE2-NE 3.18Å; E689-R691 IonicContact OE2-NH1 3.87Å; E689-R691 PolarHBondContact OE2-NH1 3.33Å; E689-R691 IonicContact OE2-NH2 3.32Å; E689-R691 PolarHBondContact OE2-NH2 3.08Å
690	T	87.4	Confident	91.3	Very high	131 Å²	131	38 Å²	38	80%	0.804	20%	0.198	S	C	*	.			trans	-74.5	120	173.3	54.6	0	0	0	0	110.5	G686	G686-T690 WeakPolarHBondContact O-CA 3.41Å
691	R	88.5	Confident	91.7	Very high	72.3333 Å²	72.3333	37.2 Å²	37.2	27%	0.273	19%	0.194	S	C	.	.			trans	-133.1	155.7	-179.5	-19.5	-175.2	104.1	113.7	-4.1	111.1	S670 E689 D693 H694	S670-R691 VanDerWaalsContact CB-NH1 3.33Å; S670-R691 VanDerWaalsContact O-CZ 3.27Å; S670-R691 PolarHBondContact O-NH1 3.07Å; S670-R691 PolarHBondContact O-NH2 3.28Å; E689-R691 HydrophobicContact CB-CG 4.32Å; E689-R691 VanDerWaalsContact CD-NH2 3.27Å; E689-R691 PolarHBondContact O-N 3.38Å; E689-R691 IonicContact OE1-NH2 3.87Å; E689-R691 IonicContact OE2-CZ 3.22Å; E689-R691 IonicContact OE2-NE 3.72Å; E689-R691 PolarHBondContact OE2-NE 3.18Å; E689-R691 IonicContact OE2-NH1 3.87Å; E689-R691 PolarHBondContact OE2-NH1 3.33Å; E689-R691 IonicContact OE2-NH2 3.32Å; E689-R691 PolarHBondContact OE2-NH2 3.08Å; R691-D693 VanDerWaalsContact CB-OD1 3.28Å; R691-D693 WeakPolarHBondContact CB-OD1 3.34Å; R691-D693 WeakPolarHBondContact CD-OD1 3.48Å; R691-D693 WeakPolarHBondContact CG-OD1 3.36Å; R691-D693 IonicContact NE-OD1 3.16Å; R691-H694 HydrophobicContact CG-CB 4.01Å; R691-H694 PolarHBondContact O-CD2 2.99Å
692	V	90.5	Very high	91.7	Very high	141.667 Å²	141.667	37.1 Å²	37.1	86%	0.859	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-25.8	-175.6	-140.9	0	0	0	0	112.6	H694	V692-H694 VanDerWaalsContact C-N 3.3Å; V692-H694 PolarHBondContact O-CD2 3.17Å; V692-H694 PolarHBondContact O-N 2.83Å
693	D	91.7	Very high	91.6	Very high	79 Å²	79	38.3 Å²	38.3	42%	0.422	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	4.6	179.2	59.9	-35.5	0	0	0	113.7	R691 A695 R696 S697	R691-D693 VanDerWaalsContact CB-OD1 3.28Å; R691-D693 WeakPolarHBondContact CB-OD1 3.34Å; R691-D693 WeakPolarHBondContact CD-OD1 3.48Å; R691-D693 WeakPolarHBondContact CG-OD1 3.36Å; R691-D693 IonicContact NE-OD1 3.16Å; D693-A695 PolarHBondContact O-N 3.22Å; D693-R696 WeakPolarHBondContact O-CA 3.32Å; D693-R696 WeakPolarHBondContact O-CB 3.26Å; D693-R696 PolarHBondContact O-N 3.11Å; D693-S697 PolarHBondContact O-N 3.37Å; D693-S697 PolarHBondContact O-OG 3.07Å
694	H	94	Very high	91.5	Very high	4 Å²	4	41 Å²	41	2%	0.019	22%	0.215	C	C	.	.	H	α-helix	trans	-48.5	-33.1	-176.3	65.5	88.1	0	0	0	114.5	N614 T616 A685 R691 V692 C698	N614-H694 PolarHBondContact ND2-CE1 2.8Å; N614-H694 PolarHBondContact ND2-NE2 2.95Å; N614-H694 PolarHBondContact O-CD2 3.33Å; N614-H694 PolarHBondContact O-CE1 3.03Å; N614-H694 PolarHBondContact O-NE2 3.03Å; T616-H694 HydrophobicContact CG2-CB 4.11Å; T616-H694 WeakPolarHBondContact CG2-ND1 3.33Å; T616-H694 WeakPolarHBondContact CG2-O 3.44Å; T616-H694 PolarHBondContact N-ND1 3.02Å; T616-H694 VanDerWaalsContact OG1-C 3.3Å; T616-H694 WeakPolarHBondContact OG1-CB 3.34Å; T616-H694 PolarHBondContact OG1-ND1 2.99Å; T616-H694 PolarHBondContact OG1-O 3.12Å; A685-H694 HydrophobicContact CB-CB 4.1Å; R691-H694 HydrophobicContact CG-CB 4.01Å; R691-H694 PolarHBondContact O-CD2 2.99Å; V692-H694 VanDerWaalsContact C-N 3.3Å; V692-H694 PolarHBondContact O-CD2 3.17Å; V692-H694 PolarHBondContact O-N 2.83Å; H694-C698 PolarHBondContact O-N 3.08Å; H694-C698 VanDerWaalsContact O-N 3.15Å
695	A	93.7	Very high	91.4	Very high	1 Å²	1	41 Å²	41	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-74.6	-35.9	178.9	0	0	0	0	0	112.8	T616 D693 I699 T728 T772 Q775 L776	T616-A695 VanDerWaalsContact CG2-CA 3.42Å; T616-A695 HydrophobicContact CG2-CB 3.85Å; D693-A695 PolarHBondContact O-N 3.22Å; A695-I699 WeakPolarHBondContact O-CG1 3.41Å; A695-I699 PolarHBondContact O-N 3.33Å; A695-T728 HydrophobicContact CB-CG2 4.42Å; A695-T772 HydrophobicContact CB-CG2 4.47Å; A695-Q775 HydrophobicContact CB-CB 3.75Å; A695-L776 HydrophobicContact CB-CD2 4.06Å
696	R	93.2	Very high	91.3	Very high	110 Å²	110	41.7 Å²	41.7	42%	0.415	22%	0.218	S	C	.	.	H	α-helix	trans	-68.8	-50.2	171.8	174.1	-179.3	170.2	-168.1	-8.4	110.4	D693 C698 I699 D700 F780 R820	D693-R696 WeakPolarHBondContact O-CA 3.32Å; D693-R696 WeakPolarHBondContact O-CB 3.26Å; D693-R696 PolarHBondContact O-N 3.11Å; R696-C698 VanDerWaalsContact C-N 3.32Å; R696-C698 PolarHBondContact O-N 3.04Å; R696-I699 WeakPolarHBondContact O-CA 3.48Å; R696-I699 PolarHBondContact O-N 3.25Å; R696-D700 VanDerWaalsContact CG-OD2 3.26Å; R696-D700 WeakPolarHBondContact CG-OD2 3.37Å; R696-D700 IonicContact CZ-OD2 3.08Å; R696-D700 IonicContact NE-OD2 2.83Å; R696-D700 PolarHBondContact NE-OD2 2.97Å; R696-D700 IonicContact NH2-OD2 3.25Å; R696-D700 PolarHBondContact NH2-OD2 3.41Å; R696-D700 PolarHBondContact O-N 2.93Å; R696-F780 HydrophobicContact CG-CE2 4.09Å; R696-F780 HydrophobicContact CG-CZ 4.12Å; R696-R820 VanDerWaalsContact NE-NH2 3.18Å
697	S	92.5	Very high	91.3	Very high	9.66667 Å²	9.66667	47.1 Å²	47.1	7%	0.068	24%	0.24	C	C	.	.	H	α-helix	trans	-55.2	-43.7	-177.6	-61.7	0	0	0	0	112.4	E669 C671 D693 I699 D700 L701	E669-S697 WeakPolarHBondContact O-CB 3.33Å; E669-S697 PolarHBondContact O-OG 3.04Å; C671-S697 PolarHBondContact SG-OG 2.9Å; D693-S697 PolarHBondContact O-N 3.37Å; D693-S697 PolarHBondContact O-OG 3.07Å; S697-I699 VanDerWaalsContact C-N 3.33Å; S697-I699 PolarHBondContact O-N 3.2Å; S697-D700 PolarHBondContact O-N 3.44Å; S697-L701 VanDerWaalsContact O-CB 3.25Å; S697-L701 WeakPolarHBondContact O-CB 3.44Å; S697-L701 PolarHBondContact O-N 3.02Å
698	C	94.2	Very high	91.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.7	-30	174.6	-73.8	0	0	0	0	114.1	T616 L618 A685 H694 R696 G702 V726	T616-C698 PolarHBondContact OG1-SG 3.17Å; T616-C698 VanDerWaalsContact OG1-SG 3.39Å; L618-C698 HydrophobicContact CB-CB 4.47Å; L618-C698 WeakPolarHBondContact CD1-O 3.38Å; A685-C698 VanDerWaalsContact CB-SG 3.53Å; H694-C698 PolarHBondContact O-N 3.08Å; H694-C698 VanDerWaalsContact O-N 3.15Å; R696-C698 VanDerWaalsContact C-N 3.32Å; R696-C698 PolarHBondContact O-N 3.04Å; C698-G702 PolarHBondContact O-N 3.34Å; C698-V726 HydrophobicContact CB-CG1 4Å
699	I	93.9	Very high	91.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-79.1	-44.1	176.9	-71	-173.3	0	0	0	111.4	A695 R696 S697 L701 G702 L703 T768 T772 L776 F780 V817	A695-I699 WeakPolarHBondContact O-CG1 3.41Å; A695-I699 PolarHBondContact O-N 3.33Å; R696-I699 WeakPolarHBondContact O-CA 3.48Å; R696-I699 PolarHBondContact O-N 3.25Å; S697-I699 VanDerWaalsContact C-N 3.33Å; S697-I699 PolarHBondContact O-N 3.2Å; I699-L701 VanDerWaalsContact C-N 3.27Å; I699-L701 PolarHBondContact O-N 2.97Å; I699-G702 PolarHBondContact O-N 3.02Å; I699-G702 VanDerWaalsContact O-N 3.09Å; I699-L703 HydrophobicContact CG2-CD1 3.81Å; I699-L703 HydrophobicContact CG2-CG 4.2Å; I699-L703 WeakPolarHBondContact O-CB 3.35Å; I699-L703 VanDerWaalsContact O-CG 3.3Å; I699-L703 WeakPolarHBondContact O-CG 3.35Å; I699-L703 PolarHBondContact O-N 3.13Å; I699-T768 HydrophobicContact CD1-CG2 3.6Å; I699-T768 HydrophobicContact CG1-CG2 4.26Å; I699-T772 HydrophobicContact CD1-CG2 4.14Å; I699-L776 HydrophobicContact CD1-CD1 3.44Å; I699-L776 VanDerWaalsContact CD1-CD1 3.44Å; I699-L776 HydrophobicContact CD1-CD2 3.51Å; I699-L776 VanDerWaalsContact CD1-CD2 3.48Å; I699-L776 HydrophobicContact CD1-CG 4.07Å; I699-L776 HydrophobicContact CG1-CD2 4.41Å; I699-F780 HydrophobicContact CG2-CD1 4.37Å; I699-F780 HydrophobicContact CG2-CE1 3.93Å; I699-F780 HydrophobicContact CG2-CZ 4.35Å; I699-V817 HydrophobicContact CD1-CG2 4.21Å; I699-V817 HydrophobicContact CG2-CG1 4.05Å
700	D	92.4	Very high	91.7	Very high	25 Å²	25	39.3 Å²	39.3	13%	0.134	21%	0.206	C	C	.	.	H	α-helix	trans	-60.1	-40.1	175.8	-71.8	-16.8	0	0	0	109.2	R696 S697 L703 N704 F780 R820	R696-D700 VanDerWaalsContact CG-OD2 3.26Å; R696-D700 WeakPolarHBondContact CG-OD2 3.37Å; R696-D700 IonicContact CZ-OD2 3.08Å; R696-D700 IonicContact NE-OD2 2.83Å; R696-D700 PolarHBondContact NE-OD2 2.97Å; R696-D700 IonicContact NH2-OD2 3.25Å; R696-D700 PolarHBondContact NH2-OD2 3.41Å; R696-D700 PolarHBondContact O-N 2.93Å; S697-D700 PolarHBondContact O-N 3.44Å; D700-L703 PolarHBondContact O-N 3.26Å; D700-N704 WeakPolarHBondContact O-CB 3.35Å; D700-N704 VanDerWaalsContact O-CG 3.3Å; D700-N704 PolarHBondContact O-N 3.38Å; D700-N704 PolarHBondContact O-ND2 3.33Å; D700-F780 VanDerWaalsContact OD1-CZ 3.28Å; D700-F780 WeakPolarHBondContact OD1-CZ 3.38Å; D700-R820 IonicContact OD1-CZ 2.86Å; D700-R820 IonicContact OD1-NH2 2.8Å; D700-R820 PolarHBondContact OD1-NH2 2.77Å; D700-R820 IonicContact OD2-CZ 3.86Å; D700-R820 IonicContact OD2-NH2 2.8Å; D700-R820 PolarHBondContact OD2-NH2 3.42Å; D700-R820 VanDerWaalsContact OD2-NH2 3.1Å
701	L	94	Very high	91.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.3	-51.7	167.2	180	60.3	0	0	0	113.5	L618 L665 A666 E669 C671 S697 I699 L703 N704 M705	L618-L701 HydrophobicContact CD1-CD2 4.39Å; L618-L701 HydrophobicContact CD1-CG 4.41Å; L665-L701 HydrophobicContact CB-CD1 3.58Å; A666-L701 HydrophobicContact CB-CD1 4.44Å; A666-L701 HydrophobicContact CB-CD2 4.22Å; E669-L701 HydrophobicContact CB-CB 4.01Å; E669-L701 HydrophobicContact CB-CD1 4.39Å; E669-L701 HydrophobicContact CG-CB 3.95Å; E669-L701 HydrophobicContact CG-CD1 4.17Å; C671-L701 HydrophobicContact CB-CD2 3.66Å; S697-L701 VanDerWaalsContact O-CB 3.25Å; S697-L701 WeakPolarHBondContact O-CB 3.44Å; S697-L701 PolarHBondContact O-N 3.02Å; I699-L701 VanDerWaalsContact C-N 3.27Å; I699-L701 PolarHBondContact O-N 2.97Å; L701-L703 VanDerWaalsContact C-N 3.32Å; L701-L703 PolarHBondContact O-N 3.3Å; L701-N704 PolarHBondContact O-N 2.89Å; L701-N704 VanDerWaalsContact O-N 3.17Å; L701-M705 HydrophobicContact CD1-CE 3.86Å; L701-M705 HydrophobicContact CD1-CG 4.34Å; L701-M705 HydrophobicContact CD1-SD 4.31Å; L701-M705 HydrophobicContact CD2-CE 4.05Å; L701-M705 HydrophobicContact CG-CE 3.87Å; L701-M705 HydrophobicContact CG-SD 4.19Å; L701-M705 WeakPolarHBondContact O-CG 3.41Å; L701-M705 PolarHBondContact O-N 3.44Å
702	G	93.3	Very high	91.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.8	-36.7	-178.6	0	0	0	0	0	113.4	C698 I699 L706	C698-G702 PolarHBondContact O-N 3.34Å; I699-G702 PolarHBondContact O-N 3.02Å; I699-G702 VanDerWaalsContact O-N 3.09Å; G702-L706 WeakPolarHBondContact O-CB 3.3Å; G702-L706 WeakPolarHBondContact O-CD1 3.39Å; G702-L706 VanDerWaalsContact O-CG 3.28Å; G702-L706 WeakPolarHBondContact O-CG 3.42Å; G702-L706 PolarHBondContact O-N 3.23Å; G702-L706 VanDerWaalsContact O-N 3.09Å
703	L	91.9	Very high	91.5	Very high	25.6667 Å²	25.6667	26.5 Å²	26.5	13%	0.134	13%	0.134	C	C	.	.	H	α-helix	trans	-68.4	-41.3	173.8	-69.2	170.5	0	0	0	111.4	I699 D700 L701 L706 K707 V766 F780 P819	I699-L703 HydrophobicContact CG2-CD1 3.81Å; I699-L703 HydrophobicContact CG2-CG 4.2Å; I699-L703 WeakPolarHBondContact O-CB 3.35Å; I699-L703 VanDerWaalsContact O-CG 3.3Å; I699-L703 WeakPolarHBondContact O-CG 3.35Å; I699-L703 PolarHBondContact O-N 3.13Å; D700-L703 PolarHBondContact O-N 3.26Å; L701-L703 VanDerWaalsContact C-N 3.32Å; L701-L703 PolarHBondContact O-N 3.3Å; L703-L706 PolarHBondContact O-N 3.12Å; L703-K707 WeakPolarHBondContact O-CB 3.4Å; L703-K707 PolarHBondContact O-N 3.05Å; L703-V766 HydrophobicContact CD2-CG2 4.03Å; L703-V766 HydrophobicContact CG-CG2 4.16Å; L703-F780 HydrophobicContact CD1-CE1 4.39Å; L703-P819 HydrophobicContact CD2-CB 4.27Å
704	N	91.8	Very high	91.3	Very high	57.3333 Å²	57.3333	29.3 Å²	29.3	31%	0.307	14%	0.144	S	C	.	.	H	α-helix	trans	-65.3	-40.3	175.6	-77.1	-28.7	0	0	0	112.2	L665 E669 D700 L701 K707 I708	L665-N704 HydrophobicContact CD1-CB 3.88Å; L665-N704 HydrophobicContact CD2-CB 4.22Å; E669-N704 PolarHBondContact OE1-ND2 2.91Å; D700-N704 WeakPolarHBondContact O-CB 3.35Å; D700-N704 VanDerWaalsContact O-CG 3.3Å; D700-N704 PolarHBondContact O-N 3.38Å; D700-N704 PolarHBondContact O-ND2 3.33Å; L701-N704 PolarHBondContact O-N 2.89Å; L701-N704 VanDerWaalsContact O-N 3.17Å; N704-K707 PolarHBondContact O-N 3.01Å; N704-I708 WeakPolarHBondContact O-CG1 3.38Å; N704-I708 PolarHBondContact O-N 3.08Å; N704-I708 VanDerWaalsContact O-N 3.09Å
705	M	92.6	Very high	90.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61	-46.6	172.4	-71.5	171.6	166.3	0	0	112.2	L618 F662 L665 Y681 L701 K707 I708 I709 L722	L618-M705 HydrophobicContact CD2-CE 4.4Å; L618-M705 HydrophobicContact CD2-SD 4.17Å; F662-M705 HydrophobicContact CB-CE 3.99Å; F662-M705 HydrophobicContact CD1-CB 4.5Å; F662-M705 HydrophobicContact CD1-CG 3.95Å; F662-M705 HydrophobicContact CD2-CE 4.22Å; F662-M705 HydrophobicContact CE1-CB 4.06Å; F662-M705 HydrophobicContact CE1-CG 4Å; F662-M705 HydrophobicContact CG-CE 4.03Å; F662-M705 HydrophobicContact CG-CG 4.3Å; F662-M705 HydrophobicContact CZ-CB 4.3Å; F662-M705 HydrophobicContact CZ-CG 4.39Å; L665-M705 HydrophobicContact CD1-CG 4.08Å; Y681-M705 HydrophobicContact CD1-CE 3.82Å; Y681-M705 HydrophobicContact CE1-CE 3.47Å; Y681-M705 VanDerWaalsContact CE1-CE 3.46Å; L701-M705 HydrophobicContact CD1-CE 3.86Å; L701-M705 HydrophobicContact CD1-CG 4.34Å; L701-M705 HydrophobicContact CD1-SD 4.31Å; L701-M705 HydrophobicContact CD2-CE 4.05Å; L701-M705 HydrophobicContact CG-CE 3.87Å; L701-M705 HydrophobicContact CG-SD 4.19Å; L701-M705 WeakPolarHBondContact O-CG 3.41Å; L701-M705 PolarHBondContact O-N 3.44Å; M705-K707 VanDerWaalsContact C-N 3.31Å; M705-K707 PolarHBondContact O-N 3.24Å; M705-I708 PolarHBondContact O-N 2.84Å; M705-I709 WeakPolarHBondContact O-CG1 3.33Å; M705-I709 PolarHBondContact O-N 3.06Å; M705-I709 VanDerWaalsContact O-N 3.08Å; M705-L722 HydrophobicContact CB-CD2 3.72Å
706	L	91.7	Very high	90.1	Very high	14.6667 Å²	14.6667	34.1 Å²	34.1	8%	0.077	17%	0.17	C	C	.	.	H	α-helix	trans	-59.7	-41.6	176.8	-76.9	166.1	0	0	0	111.8	G702 L703 I709 G710 L722 V724 V766	G702-L706 WeakPolarHBondContact O-CB 3.3Å; G702-L706 WeakPolarHBondContact O-CD1 3.39Å; G702-L706 VanDerWaalsContact O-CG 3.28Å; G702-L706 WeakPolarHBondContact O-CG 3.42Å; G702-L706 PolarHBondContact O-N 3.23Å; G702-L706 VanDerWaalsContact O-N 3.09Å; L703-L706 PolarHBondContact O-N 3.12Å; L706-I709 PolarHBondContact O-N 3.05Å; L706-G710 PolarHBondContact O-N 3.25Å; L706-L722 HydrophobicContact CD2-CB 4.16Å; L706-L722 HydrophobicContact CD2-CD2 4.26Å; L706-L722 HydrophobicContact CD2-CG 4.48Å; L706-L722 WeakPolarHBondContact CD2-O 3.35Å; L706-L722 HydrophobicContact CG-CD2 4.44Å; L706-V724 HydrophobicContact CD1-CG2 4.39Å; L706-V724 HydrophobicContact CD2-CG2 4.15Å; L706-V724 HydrophobicContact CG-CG2 3.99Å; L706-V766 HydrophobicContact CD1-CG2 3.65Å
707	K	90.4	Very high	89.4	Confident	119.667 Å²	119.667	35.7 Å²	35.7	52%	0.52	18%	0.182	S	C	.	.	H	α-helix	trans	-61.7	-49	177.4	-179.5	176.9	174.4	178.7	0	112.1	L703 N704 M705 I709 G710 E711	L703-K707 WeakPolarHBondContact O-CB 3.4Å; L703-K707 PolarHBondContact O-N 3.05Å; N704-K707 PolarHBondContact O-N 3.01Å; M705-K707 VanDerWaalsContact C-N 3.31Å; M705-K707 PolarHBondContact O-N 3.24Å; K707-I709 PolarHBondContact O-N 3.18Å; K707-G710 PolarHBondContact O-N 3.08Å; K707-E711 WeakPolarHBondContact CE-OE1 3.32Å; K707-E711 WeakPolarHBondContact CG-OE1 3.31Å; K707-E711 IonicContact NZ-OE1 3.84Å; K707-E711 WeakPolarHBondContact O-CG 3.37Å; K707-E711 PolarHBondContact O-N 2.95Å
708	I	89.5	Confident	88.6	Confident	10 Å²	10	35.8 Å²	35.8	5%	0.051	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-41.4	179	-67	-176.4	0	0	0	111.3	C661 L665 N704 M705 G710 E711 I712 L874 V878	C661-I708 VanDerWaalsContact SG-CD1 3.59Å; L665-I708 HydrophobicContact CD1-CD1 3.67Å; L665-I708 HydrophobicContact CD1-CG1 4.49Å; L665-I708 HydrophobicContact CD2-CD1 4.23Å; L665-I708 HydrophobicContact CG-CD1 4.09Å; N704-I708 WeakPolarHBondContact O-CG1 3.38Å; N704-I708 PolarHBondContact O-N 3.08Å; N704-I708 VanDerWaalsContact O-N 3.09Å; M705-I708 PolarHBondContact O-N 2.84Å; I708-G710 VanDerWaalsContact C-N 3.32Å; I708-G710 PolarHBondContact O-N 3.15Å; I708-E711 PolarHBondContact O-N 3.01Å; I708-I712 HydrophobicContact CG2-CD1 3.97Å; I708-I712 HydrophobicContact CG2-CG1 4.43Å; I708-I712 WeakPolarHBondContact O-CG1 3.4Å; I708-I712 PolarHBondContact O-N 2.96Å; I708-L874 HydrophobicContact CG2-CD2 4.15Å; I708-V878 HydrophobicContact CD1-CB 4.5Å; I708-V878 HydrophobicContact CD1-CG1 4Å; I708-V878 HydrophobicContact CD1-CG2 4Å; I708-V878 HydrophobicContact CG1-CG2 4.48Å
709	I	90	Very high	87.9	Confident	3 Å²	3	41 Å²	41	2%	0.015	21%	0.206	C	C	.	.	H	α-helix	trans	-66.1	-35.7	176.5	-65.8	-62.5	0	0	0	111.6	L622 I658 F662 M705 L706 K707 I712 S713 L720 L722	L622-I709 HydrophobicContact CD1-CD1 4.3Å; L622-I709 HydrophobicContact CD1-CG2 4.35Å; I658-I709 HydrophobicContact CD1-CD1 4.09Å; I658-I709 HydrophobicContact CG2-CD1 4.19Å; F662-I709 HydrophobicContact CE1-CD1 4.26Å; F662-I709 HydrophobicContact CE1-CG1 4.19Å; F662-I709 HydrophobicContact CZ-CD1 3.9Å; F662-I709 HydrophobicContact CZ-CG1 3.82Å; M705-I709 WeakPolarHBondContact O-CG1 3.33Å; M705-I709 PolarHBondContact O-N 3.06Å; M705-I709 VanDerWaalsContact O-N 3.08Å; L706-I709 PolarHBondContact O-N 3.05Å; K707-I709 PolarHBondContact O-N 3.18Å; I709-I712 HydrophobicContact CD1-CD1 4.47Å; I709-I712 PolarHBondContact O-N 3.15Å; I709-S713 VanDerWaalsContact O-CB 3.27Å; I709-S713 WeakPolarHBondContact O-CB 3.39Å; I709-S713 PolarHBondContact O-N 3.29Å; I709-L720 HydrophobicContact CG2-CB 3.82Å; I709-L720 HydrophobicContact CG2-CD1 4.47Å; I709-L722 HydrophobicContact CB-CB 4.27Å; I709-L722 HydrophobicContact CG1-CB 4.16Å; I709-L722 HydrophobicContact CG1-CD2 4.12Å; I709-L722 HydrophobicContact CG2-CB 4.11Å
710	G	89.2	Confident	87.4	Confident	21.6667 Å²	21.6667	41.5 Å²	41.5	22%	0.223	21%	0.209	C	C	.	.	H	α-helix	trans	-58.5	-52.1	170.1	0	0	0	0	0	112.3	L706 K707 I708 I712 S713 E714	L706-G710 PolarHBondContact O-N 3.25Å; K707-G710 PolarHBondContact O-N 3.08Å; I708-G710 VanDerWaalsContact C-N 3.32Å; I708-G710 PolarHBondContact O-N 3.15Å; G710-I712 VanDerWaalsContact C-N 3.34Å; G710-I712 PolarHBondContact O-N 3.27Å; G710-S713 WeakPolarHBondContact O-CB 3.24Å; G710-S713 PolarHBondContact O-N 3.04Å; G710-S713 VanDerWaalsContact O-N 3.09Å; G710-E714 WeakPolarHBondContact O-CG 3.28Å; G710-E714 PolarHBondContact O-N 3.38Å
711	E	87.4	Confident	87.1	Confident	49 Å²	49	43.4 Å²	43.4	23%	0.229	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-40.2	177.6	-70.8	172.1	-165.7	0	0	112.3	K707 I708 L715 I833 L874	K707-E711 WeakPolarHBondContact CE-OE1 3.32Å; K707-E711 WeakPolarHBondContact CG-OE1 3.31Å; K707-E711 IonicContact NZ-OE1 3.84Å; K707-E711 WeakPolarHBondContact O-CG 3.37Å; K707-E711 PolarHBondContact O-N 2.95Å; I708-E711 PolarHBondContact O-N 3.01Å; E711-L715 VanDerWaalsContact O-CB 3.3Å; E711-L715 WeakPolarHBondContact O-CB 3.42Å; E711-L715 WeakPolarHBondContact O-CD1 3.41Å; E711-L715 VanDerWaalsContact O-CG 3.24Å; E711-L715 WeakPolarHBondContact O-CG 3.45Å; E711-L715 PolarHBondContact O-N 3.03Å; E711-L715 VanDerWaalsContact O-N 3.07Å; E711-I833 VanDerWaalsContact OE1-CD1 3.25Å; E711-I833 WeakPolarHBondContact OE1-CD1 3.5Å; E711-L874 HydrophobicContact CB-CD1 4.47Å; E711-L874 HydrophobicContact CB-CD2 3.64Å
712	I	87.1	Confident	86.9	Confident	0.666667 Å²	0.666667	43.9 Å²	43.9	0%	0.003	22%	0.22	C	C	.	.	H	α-helix	trans	-66.9	-40.6	173.5	-63.8	173.1	0	0	0	111.1	F654 I658 I708 I709 G710 L715 S716 L720 V870 A871 L874	F654-I712 HydrophobicContact CE2-CG2 4.42Å; I658-I712 HydrophobicContact CD1-CD1 4.38Å; I658-I712 HydrophobicContact CG1-CD1 4.11Å; I708-I712 HydrophobicContact CG2-CD1 3.97Å; I708-I712 HydrophobicContact CG2-CG1 4.43Å; I708-I712 WeakPolarHBondContact O-CG1 3.4Å; I708-I712 PolarHBondContact O-N 2.96Å; I709-I712 HydrophobicContact CD1-CD1 4.47Å; I709-I712 PolarHBondContact O-N 3.15Å; G710-I712 VanDerWaalsContact C-N 3.34Å; G710-I712 PolarHBondContact O-N 3.27Å; I712-L715 PolarHBondContact O-N 3.46Å; I712-S716 VanDerWaalsContact O-CB 3.23Å; I712-S716 WeakPolarHBondContact O-CB 3.38Å; I712-S716 PolarHBondContact O-N 3.38Å; I712-S716 PolarHBondContact O-OG 3.15Å; I712-L720 HydrophobicContact CB-CD1 4.12Å; I712-L720 HydrophobicContact CG2-CD1 3.7Å; I712-V870 HydrophobicContact CG2-CG1 4.2Å; I712-A871 HydrophobicContact CD1-CB 4.19Å; I712-L874 HydrophobicContact CD1-CD2 4.37Å; I712-L874 HydrophobicContact CG1-CD2 3.55Å
713	S	87	Confident	86.8	Confident	26 Å²	26	47.1 Å²	47.1	18%	0.182	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-45.7	-179.9	-168.4	0	0	0	0	111.6	I709 G710 S716 H717 V718 L720	I709-S713 VanDerWaalsContact O-CB 3.27Å; I709-S713 WeakPolarHBondContact O-CB 3.39Å; I709-S713 PolarHBondContact O-N 3.29Å; G710-S713 WeakPolarHBondContact O-CB 3.24Å; G710-S713 PolarHBondContact O-N 3.04Å; G710-S713 VanDerWaalsContact O-N 3.09Å; S713-S716 PolarHBondContact O-OG 3.27Å; S713-H717 WeakPolarHBondContact O-CA 3.31Å; S713-H717 PolarHBondContact O-N 3.16Å; S713-H717 VanDerWaalsContact O-N 3.13Å; S713-V718 VanDerWaalsContact CA-O 3.29Å; S713-V718 WeakPolarHBondContact CA-O 3.32Å; S713-V718 WeakPolarHBondContact CB-O 3.37Å; S713-V718 PolarHBondContact O-N 3.16Å; S713-V718 PolarHBondContact OG-O 3.35Å; S713-L720 PolarHBondContact OG-N 3.15Å; S713-L720 VanDerWaalsContact OG-N 3.14Å
714	E	86.5	Confident	86.9	Confident	138.333 Å²	138.333	45.9 Å²	45.9	65%	0.646	23%	0.225	S	C	*	.	H	α-helix	trans	-62.2	-50.6	176	-71.6	176.4	-167.4	0	0	111.8	G710 S716 H717	G710-E714 WeakPolarHBondContact O-CG 3.28Å; G710-E714 PolarHBondContact O-N 3.38Å; E714-S716 PolarHBondContact O-N 3.42Å; E714-H717 PolarHBondContact O-CE1 3.41Å; E714-H717 PolarHBondContact O-N 3.07Å; E714-H717 PolarHBondContact O-ND1 3.25Å; E714-H717 VanDerWaalsContact O-ND1 3.14Å
715	L	84.6	Confident	87	Confident	99 Å²	99	43.1 Å²	43.1	52%	0.518	21%	0.211	S	C	.	.	H	α-helix	trans	-71.6	-27.6	-176.3	-71	172.4	0	0	0	114.3	E711 I712 V870 L874	E711-L715 VanDerWaalsContact O-CB 3.3Å; E711-L715 WeakPolarHBondContact O-CB 3.42Å; E711-L715 WeakPolarHBondContact O-CD1 3.41Å; E711-L715 VanDerWaalsContact O-CG 3.24Å; E711-L715 WeakPolarHBondContact O-CG 3.45Å; E711-L715 PolarHBondContact O-N 3.03Å; E711-L715 VanDerWaalsContact O-N 3.07Å; I712-L715 PolarHBondContact O-N 3.46Å; L715-V870 HydrophobicContact CB-CG1 3.53Å; L715-V870 HydrophobicContact CB-CG2 4.44Å; L715-V870 HydrophobicContact CD1-CG1 4.31Å; L715-L874 HydrophobicContact CD1-CD1 4.21Å
716	S	79.1	Confident	87.2	Confident	6.33333 Å²	6.33333	43.1 Å²	43.1	4%	0.044	21%	0.211	C	C	.	.	H	α-helix	trans	-90.7	-13.7	178.2	64.2	0	0	0	0	113.8	I712 S713 E714 V718 L867	I712-S716 VanDerWaalsContact O-CB 3.23Å; I712-S716 WeakPolarHBondContact O-CB 3.38Å; I712-S716 PolarHBondContact O-N 3.38Å; I712-S716 PolarHBondContact O-OG 3.15Å; S713-S716 PolarHBondContact O-OG 3.27Å; E714-S716 PolarHBondContact O-N 3.42Å; S716-V718 VanDerWaalsContact C-N 3.29Å; S716-V718 PolarHBondContact O-N 3.17Å; S716-V718 PolarHBondContact OG-N 2.96Å; S716-L867 WeakPolarHBondContact OG-CD2 3.44Å
717	H	77.7	Confident	87.3	Confident	142.667 Å²	142.667	42.6 Å²	42.6	66%	0.66	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	31.2	-168.9	-58	-37.6	0	0	0	113.7	S713 E714 W849	S713-H717 WeakPolarHBondContact O-CA 3.31Å; S713-H717 PolarHBondContact O-N 3.16Å; S713-H717 VanDerWaalsContact O-N 3.13Å; E714-H717 PolarHBondContact O-CE1 3.41Å; E714-H717 PolarHBondContact O-N 3.07Å; E714-H717 PolarHBondContact O-ND1 3.25Å; E714-H717 VanDerWaalsContact O-ND1 3.14Å; H717-W849 HydrophobicContact CB-CE3 4Å; H717-W849 HydrophobicContact CB-CH2 4.16Å; H717-W849 HydrophobicContact CB-CZ3 3.52Å; H717-W849 AromaticContact CG-CH2 3.88Å; H717-W849 AromaticContact CG-CZ3 3.73Å; H717-W849 AromaticContact ND1-CH2 3.52Å; H717-W849 AromaticContact ND1-CZ3 3.84Å
718	V	76.6	Confident	87.6	Confident	12 Å²	12	37.2 Å²	37.2	7%	0.073	19%	0.185	C	C	.	.			trans	-117.8	129.2	176.1	-177.1	0	0	0	0	108.8	L628 S713 S716 L720 L852 V863 L867	L628-V718 HydrophobicContact CD1-CG1 4.26Å; L628-V718 HydrophobicContact CD2-CG1 3.95Å; L628-V718 HydrophobicContact CG-CG1 4.42Å; S713-V718 VanDerWaalsContact CA-O 3.29Å; S713-V718 WeakPolarHBondContact CA-O 3.32Å; S713-V718 WeakPolarHBondContact CB-O 3.37Å; S713-V718 PolarHBondContact O-N 3.16Å; S713-V718 PolarHBondContact OG-O 3.35Å; S716-V718 VanDerWaalsContact C-N 3.29Å; S716-V718 PolarHBondContact O-N 3.17Å; S716-V718 PolarHBondContact OG-N 2.96Å; V718-L720 HydrophobicContact CB-CD2 4.48Å; V718-L720 HydrophobicContact CG1-CD2 4.24Å; V718-L720 HydrophobicContact CG1-CG 4.14Å; V718-L720 PolarHBondContact O-N 3.08Å; V718-L720 VanDerWaalsContact O-N 3.12Å; V718-L852 HydrophobicContact CG1-CD2 4.14Å; V718-L852 HydrophobicContact CG1-CG 4.39Å; V718-V863 HydrophobicContact CG1-CG1 4.31Å; V718-V863 HydrophobicContact CG2-CG1 3.63Å; V718-L867 HydrophobicContact CB-CD2 4Å; V718-L867 HydrophobicContact CB-CG 4.45Å; V718-L867 HydrophobicContact CG1-CD1 4.38Å; V718-L867 HydrophobicContact CG1-CD2 4.31Å; V718-L867 HydrophobicContact CG2-CD1 4.26Å; V718-L867 HydrophobicContact CG2-CD2 4.01Å; V718-L867 HydrophobicContact CG2-CG 4.02Å
719	Q	79.6	Confident	87.7	Confident	109 Å²	109	37.3 Å²	37.3	51%	0.509	19%	0.189	S	C	.	.			trans	-69.3	103.8	175.4	-98.8	177.2	-22	0	0	110.4	E721 W849 S850 T851 L852	Q719-E721 PolarHBondContact NE2-OE1 2.87Å; Q719-W849 HydrophobicContact CB-CB 4.25Å; Q719-S850 PolarHBondContact N-O 2.97Å; Q719-T851 HydrophobicContact CB-CG2 4.37Å; Q719-T851 HydrophobicContact CG-CG2 4.15Å; Q719-L852 VanDerWaalsContact O-CD1 3.29Å; Q719-L852 WeakPolarHBondContact O-CD1 3.2Å
720	L	83	Confident	87.9	Confident	12.3333 Å²	12.3333	39.3 Å²	39.3	7%	0.065	20%	0.201	C	C	.	.			trans	-109.3	115.2	175.4	-67.5	170.3	0	0	0	108.8	L622 L628 F654 I709 I712 S713 V718 L852 L867	L622-L720 HydrophobicContact CD1-CB 4.45Å; L622-L720 HydrophobicContact CD1-CD2 3.96Å; L622-L720 HydrophobicContact CD2-CD2 4.01Å; L622-L720 HydrophobicContact CG-CD2 4.3Å; L628-L720 HydrophobicContact CD1-CD2 3.96Å; F654-L720 HydrophobicContact CZ-CD1 4.15Å; F654-L720 HydrophobicContact CZ-CD2 3.98Å; I709-L720 HydrophobicContact CG2-CB 3.82Å; I709-L720 HydrophobicContact CG2-CD1 4.47Å; I712-L720 HydrophobicContact CB-CD1 4.12Å; I712-L720 HydrophobicContact CG2-CD1 3.7Å; S713-L720 PolarHBondContact OG-N 3.15Å; S713-L720 VanDerWaalsContact OG-N 3.14Å; V718-L720 HydrophobicContact CB-CD2 4.48Å; V718-L720 HydrophobicContact CG1-CD2 4.24Å; V718-L720 HydrophobicContact CG1-CG 4.14Å; V718-L720 PolarHBondContact O-N 3.08Å; V718-L720 VanDerWaalsContact O-N 3.12Å; L720-L852 HydrophobicContact CD2-CD1 3.61Å; L720-L852 HydrophobicContact CD2-CD2 3.97Å; L720-L852 HydrophobicContact CD2-CG 3.81Å; L720-L852 HydrophobicContact CG-CD1 4.31Å; L720-L867 HydrophobicContact CD1-CD2 3.91Å; L720-L867 HydrophobicContact CD2-CD2 4.2Å; L720-L867 HydrophobicContact CG-CD2 4.35Å
721	E	85.6	Confident	88.1	Confident	64.6667 Å²	64.6667	38.3 Å²	38.3	30%	0.302	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-102	126.4	174	-73.1	-179.1	-174.3	0	0	110.2	L622 V623 Q719 R723	L622-E721 CarbonylContact C-O 3.59Å; V623-E721 HydrophobicContact CB-CB 3.94Å; V623-E721 HydrophobicContact CG1-CB 4.47Å; V623-E721 HydrophobicContact CG2-CB 3.74Å; V623-E721 WeakPolarHBondContact CG2-O 3.28Å; V623-E721 PolarHBondContact N-O 3.2Å; V623-E721 PolarHBondContact O-N 3.42Å; Q719-E721 PolarHBondContact NE2-OE1 2.87Å; E721-R723 IonicContact OE2-CZ 3.41Å; E721-R723 IonicContact OE2-NE 2.8Å; E721-R723 IonicContact OE2-NH2 3.4Å; E721-R723 PolarHBondContact OE2-NH2 3.12Å
722	L	90.2	Very high	88.3	Confident	10 Å²	10	41.1 Å²	41.1	5%	0.052	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122	167.7	-173.1	78.9	0	0	0	109.1	A620 E621 L622 F662 M705 L706 I709 V724	A620-L722 HydrophobicContact CB-CD1 4.3Å; A620-L722 HydrophobicContact CB-CG 4.44Å; E621-L722 WeakPolarHBondContact O-CA 3.44Å; L622-L722 HydrophobicContact CB-CD1 4.4Å; L622-L722 HydrophobicContact CD1-CD1 4.37Å; F662-L722 HydrophobicContact CE2-CD1 4.2Å; F662-L722 HydrophobicContact CZ-CD1 4.18Å; F662-L722 HydrophobicContact CZ-CD2 4.13Å; M705-L722 HydrophobicContact CB-CD2 3.72Å; L706-L722 HydrophobicContact CD2-CB 4.16Å; L706-L722 HydrophobicContact CD2-CD2 4.26Å; L706-L722 HydrophobicContact CD2-CG 4.48Å; L706-L722 WeakPolarHBondContact CD2-O 3.35Å; L706-L722 HydrophobicContact CG-CD2 4.44Å; I709-L722 HydrophobicContact CB-CB 4.27Å; I709-L722 HydrophobicContact CG1-CB 4.16Å; I709-L722 HydrophobicContact CG1-CD2 4.12Å; I709-L722 HydrophobicContact CG2-CB 4.11Å; L722-V724 HydrophobicContact CD2-CG2 3.57Å; L722-V724 HydrophobicContact CG-CG2 3.82Å
723	R	91.6	Very high	88.5	Confident	66.6667 Å²	66.6667	41.1 Å²	41.1	25%	0.252	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.9	172.9	-64.7	-174.3	-175.5	160.4	7.6	108.8	A620 E621 V623 E721 A760	A620-R723 CarbonylContact C-O 3.53Å; A620-R723 VanDerWaalsContact CA-O 3.24Å; A620-R723 WeakPolarHBondContact CA-O 3.31Å; E621-R723 PolarHBondContact N-O 3.32Å; E621-R723 PolarHBondContact O-N 3.13Å; V623-R723 HydrophobicContact CG2-CG 3.79Å; V623-R723 VanDerWaalsContact CG2-NE 3.32Å; E721-R723 IonicContact OE2-CZ 3.41Å; E721-R723 IonicContact OE2-NE 2.8Å; E721-R723 IonicContact OE2-NH2 3.4Å; E721-R723 PolarHBondContact OE2-NH2 3.12Å; R723-A760 HydrophobicContact CB-CB 4.31Å; R723-A760 WeakPolarHBondContact CD-O 3.28Å; R723-A760 VanDerWaalsContact CG-O 3.32Å; R723-A760 WeakPolarHBondContact CG-O 3.37Å
724	V	94	Very high	88.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.3	-178.8	-171.5	0	0	0	0	110	L618 A620 L706 L722 V726 V766 L767	L618-V724 HydrophobicContact CD1-CG1 3.81Å; L618-V724 HydrophobicContact CD2-CG1 4.4Å; L618-V724 HydrophobicContact CG-CG1 3.95Å; A620-V724 HydrophobicContact CB-CG2 4.12Å; L706-V724 HydrophobicContact CD1-CG2 4.39Å; L706-V724 HydrophobicContact CD2-CG2 4.15Å; L706-V724 HydrophobicContact CG-CG2 3.99Å; L722-V724 HydrophobicContact CD2-CG2 3.57Å; L722-V724 HydrophobicContact CG-CG2 3.82Å; V724-V726 HydrophobicContact CG1-CG2 4.48Å; V724-V766 HydrophobicContact CB-CG1 4.49Å; V724-V766 HydrophobicContact CB-CG2 4.43Å; V724-V766 HydrophobicContact CG1-CG1 4.12Å; V724-V766 HydrophobicContact CG1-CG2 4.39Å; V724-L767 PolarHBondContact O-N 2.98Å
725	S	94.2	Very high	88.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140	176.4	59.7	0	0	0	0	111.6	L618 S619 V753 K757 L767	L618-S725 WeakPolarHBondContact CA-O 3.28Å; S619-S725 PolarHBondContact N-O 3.07Å; S619-S725 PolarHBondContact O-N 3.17Å; S619-S725 PolarHBondContact O-OG 3.22Å; S725-V753 PolarHBondContact OG-O 3.29Å; S725-K757 WeakPolarHBondContact OG-CA 3.35Å; S725-K757 WeakPolarHBondContact OG-CB 3.43Å; S725-K757 PolarHBondContact OG-N 3.11Å; S725-L767 CarbonylContact C-O 3.53Å; S725-L767 VanDerWaalsContact CA-O 3.27Å; S725-L767 WeakPolarHBondContact CA-O 3.26Å
726	V	95.7	Very high	88.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	126.4	-179.2	-174.4	0	0	0	0	110.9	F617 L618 C698 V724 V766 L767 T768 S769 T772	F617-V726 VanDerWaalsContact O-CA 3.3Å; F617-V726 WeakPolarHBondContact O-CA 3.4Å; L618-V726 HydrophobicContact CB-CG2 4.14Å; L618-V726 HydrophobicContact CD1-CG2 4Å; L618-V726 HydrophobicContact CG-CG2 4.12Å; C698-V726 HydrophobicContact CB-CG1 4Å; V724-V726 HydrophobicContact CG1-CG2 4.48Å; V726-V766 HydrophobicContact CB-CG1 4.39Å; V726-V766 HydrophobicContact CG2-CG1 3.64Å; V726-L767 PolarHBondContact N-O 3.07Å; V726-T768 HydrophobicContact CB-CG2 4.44Å; V726-T768 CarbonylContact O-C 3.44Å; V726-T768 VanDerWaalsContact O-CA 3.3Å; V726-T768 WeakPolarHBondContact O-CA 3.29Å; V726-S769 PolarHBondContact O-N 3.06Å; V726-S769 VanDerWaalsContact O-N 3.11Å; V726-T772 HydrophobicContact CB-CG2 4.37Å; V726-T772 HydrophobicContact CG1-CG2 3.75Å; V726-T772 PolarHBondContact O-OG1 3.2Å
727	H	95.1	Very high	87.8	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.019	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.8	175.9	163.2	71.9	0	0	0	111.4	F617 D749 Y752 V753 L756 S769 S771 T772	F617-H727 WeakPolarHBondContact CD2-O 3.34Å; F617-H727 PolarHBondContact N-O 3.48Å; F617-H727 PolarHBondContact O-N 3.35Å; F617-H727 VanDerWaalsContact O-N 3.11Å; H727-D749 PolarHBondContact CD2-O 3.34Å; H727-D749 IonicContact CE1-OD1 3Å; H727-D749 WeakPolarHBondContact NE2-CB 3.39Å; H727-D749 IonicContact NE2-OD1 3.57Å; H727-D749 PolarHBondContact NE2-OD1 3.03Å; H727-Y752 HydrophobicContact CB-CD1 4.09Å; H727-Y752 HydrophobicContact CB-CE1 4.14Å; H727-Y752 AromaticContact CD2-CD1 3.63Å; H727-Y752 AromaticContact CE1-CD1 3.95Å; H727-Y752 AromaticContact CG-CD1 3.59Å; H727-Y752 AromaticContact CG-CE1 3.8Å; H727-Y752 AromaticContact ND1-CD1 3.88Å; H727-Y752 AromaticContact ND1-CE1 3.77Å; H727-Y752 AromaticContact NE2-CD1 3.92Å; H727-V753 HydrophobicContact CB-CG2 3.65Å; H727-L756 HydrophobicContact CB-CD2 4.37Å; H727-S769 WeakPolarHBondContact CA-OG 3.49Å; H727-S769 VanDerWaalsContact ND1-CB 3.32Å; H727-S769 WeakPolarHBondContact ND1-CB 3.4Å; H727-S769 PolarHBondContact ND1-OG 2.9Å; H727-S771 PolarHBondContact CE1-OG 3Å; H727-S771 PolarHBondContact ND1-OG 3.41Å; H727-T772 VanDerWaalsContact CA-OG1 3.29Å; H727-T772 WeakPolarHBondContact CA-OG1 3.45Å
728	T	95.2	Very high	87.3	Confident	5 Å²	5	38.3 Å²	38.3	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.5	-177.5	75.7	0	0	0	0	111	V615 T616 A695 S771 T772 Q775	V615-T728 WeakPolarHBondContact O-CA 3.39Å; T616-T728 HydrophobicContact CG2-CG2 3.16Å; A695-T728 HydrophobicContact CB-CG2 4.42Å; T728-S771 WeakPolarHBondContact O-CB 3.38Å; T728-S771 PolarHBondContact O-OG 3.4Å; T728-S771 VanDerWaalsContact OG1-C 3.25Å; T728-S771 WeakPolarHBondContact OG1-CB 3.4Å; T728-S771 PolarHBondContact OG1-O 3.31Å; T728-S771 PolarHBondContact OG1-OG 3.04Å; T728-T772 VanDerWaalsContact CG2-CA 3.47Å; T728-T772 HydrophobicContact CG2-CG2 3.77Å; T728-T772 PolarHBondContact N-OG1 3.43Å; T728-T772 PolarHBondContact OG1-N 3.05Å; T728-Q775 VanDerWaalsContact CB-OE1 3.23Å; T728-Q775 VanDerWaalsContact CG2-OE1 3.32Å; T728-Q775 PolarHBondContact OG1-OE1 3.11Å
729	G	92.9	Very high	86.8	Confident	13.6667 Å²	13.6667	42.6 Å²	42.6	14%	0.141	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	-134.4	-168.9	0	0	0	0	0	112	N614 V615	N614-G729 VanDerWaalsContact CA-O 3.31Å; N614-G729 WeakPolarHBondContact CA-O 3.42Å; N614-G729 PolarHBondContact N-O 3.31Å; N614-G729 VanDerWaalsContact N-O 3.09Å; V615-G729 PolarHBondContact N-O 3.26Å; V615-G729 VanDerWaalsContact N-O 3.11Å; V615-G729 PolarHBondContact O-N 3.13Å; V615-G729 VanDerWaalsContact O-N 3.08Å
730	T	93.9	Very high	86.4	Confident	45.3333 Å²	45.3333	44.2 Å²	44.2	28%	0.278	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.2	-170.4	66	0	0	0	0	111.4	L612 D749	L612-T730 VanDerWaalsContact O-CA 3.27Å; L612-T730 WeakPolarHBondContact O-CA 3.35Å; L612-T730 WeakPolarHBondContact O-CB 3.38Å; T730-D749 WeakPolarHBondContact CA-OD2 3.29Å; T730-D749 PolarHBondContact N-OD2 3.12Å; T730-D749 WeakPolarHBondContact O-CB 3.31Å; T730-D749 VanDerWaalsContact O-OD2 3.14Å; T730-D749 PolarHBondContact OG1-OD2 3.12Å
731	A	93.4	Very high	86	Confident	0.333333 Å²	0.333333	45.2 Å²	45.2	0%	0.003	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	158.8	175.9	0	0	0	0	0	111.4	L612 F617 L745 V750	L612-A731 WeakPolarHBondContact CB-O 3.43Å; L612-A731 PolarHBondContact N-O 3.22Å; L612-A731 PolarHBondContact O-N 3.05Å; F617-A731 HydrophobicContact CE1-CB 3.6Å; F617-A731 HydrophobicContact CZ-CB 3.46Å; F617-A731 VanDerWaalsContact CZ-CB 3.46Å; A731-L745 HydrophobicContact CB-CD2 4.01Å; A731-V750 HydrophobicContact CB-CG2 3.59Å
732	Y	92.5	Very high	85.6	Confident	107 Å²	107	43.6 Å²	43.6	42%	0.42	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.4	163.6	-60	-83	0	0	0	107.7	V609 I610 Y611 I746	V609-Y732 HydrophobicContact CG1-CD1 3.75Å; V609-Y732 HydrophobicContact CG1-CG 4.3Å; I610-Y732 CarbonylContact O-C 3.53Å; I610-Y732 WeakPolarHBondContact O-CA 3.43Å; Y611-Y732 AromaticContact CD2-CD1 3.76Å; Y611-Y732 HydrophobicContact CD2-CD1 3.76Å; Y611-Y732 AromaticContact CD2-CE1 3.37Å; Y611-Y732 HydrophobicContact CD2-CE1 3.37Å; Y611-Y732 HydrophobicContact CD2-CE2 4.26Å; Y611-Y732 HydrophobicContact CD2-CG 4.36Å; Y611-Y732 AromaticContact CD2-CZ 3.66Å; Y611-Y732 HydrophobicContact CE2-CE1 4.1Å; Y611-Y732 HydrophobicContact CE2-CE2 4.35Å; Y611-Y732 AromaticContact CE2-CZ 3.9Å; Y611-Y732 HydrophobicContact CG-CD1 4.33Å; Y611-Y732 AromaticContact CG-CE1 3.91Å; Y611-Y732 HydrophobicContact CG-CE1 3.91Å; Y732-I746 WeakPolarHBondContact CB-O 3.36Å; Y732-I746 PolarHBondContact N-O 3.21Å; Y732-I746 PolarHBondContact O-N 3.06Å
733	A	90.6	Very high	85.5	Confident	0.666667 Å²	0.666667	43.7 Å²	43.7	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	124.5	167.1	0	0	0	0	0	108.7	I610 L612 F743 L745	I610-A733 HydrophobicContact CB-CB 4.31Å; I610-A733 PolarHBondContact N-O 3.16Å; I610-A733 PolarHBondContact O-N 3.16Å; L612-A733 HydrophobicContact CD1-CB 3.79Å; L612-A733 HydrophobicContact CG-CB 4.08Å; A733-F743 HydrophobicContact CB-CE2 3.81Å; A733-F743 HydrophobicContact CB-CZ 3.72Å; A733-L745 HydrophobicContact CB-CD2 3.84Å
734	I	87.6	Confident	85.4	Confident	18 Å²	18	42 Å²	42	9%	0.092	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147	-171.1	34.5	178.9	0	0	0	110.9	P607 L608 V609 L736 F743 D744 I746	P607-I734 HydrophobicContact CB-CG2 4.21Å; L608-I734 VanDerWaalsContact O-CA 3.29Å; L608-I734 WeakPolarHBondContact O-CA 3.35Å; L608-I734 WeakPolarHBondContact O-CG2 3.26Å; V609-I734 HydrophobicContact CB-CG2 4.28Å; V609-I734 HydrophobicContact CG1-CD1 4.44Å; V609-I734 HydrophobicContact CG1-CG1 4.29Å; V609-I734 HydrophobicContact CG1-CG2 4.09Å; V609-I734 HydrophobicContact CG2-CD1 4.11Å; V609-I734 HydrophobicContact CG2-CG1 4.09Å; V609-I734 HydrophobicContact CG2-CG2 3.93Å; I734-L736 HydrophobicContact CB-CG 4.35Å; I734-L736 HydrophobicContact CD1-CD1 3.82Å; I734-L736 HydrophobicContact CD1-CD2 3.84Å; I734-L736 HydrophobicContact CD1-CG 3.67Å; I734-L736 HydrophobicContact CG1-CD1 4.47Å; I734-L736 HydrophobicContact CG1-CG 4.08Å; I734-L736 HydrophobicContact CG2-CD1 4.5Å; I734-L736 HydrophobicContact CG2-CD2 3.58Å; I734-L736 HydrophobicContact CG2-CG 3.73Å; I734-F743 WeakPolarHBondContact O-CA 3.36Å; I734-D744 HydrophobicContact CG1-CB 4.47Å; I734-D744 PolarHBondContact N-O 3.22Å; I734-D744 PolarHBondContact O-N 3.24Å; I734-I746 HydrophobicContact CD1-CB 4.35Å; I734-I746 HydrophobicContact CD1-CD1 3.62Å; I734-I746 VanDerWaalsContact CD1-CD1 3.44Å; I734-I746 HydrophobicContact CD1-CG1 3.85Å
735	V	83.7	Confident	85.2	Confident	13.6667 Å²	13.6667	42.1 Å²	42.1	8%	0.083	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.4	165.7	-178.2	0	0	0	0	108.6	L589 W604 L608 L741 G742 F743	L589-V735 HydrophobicContact CD2-CG2 3.87Å; W604-V735 HydrophobicContact CE3-CB 4.2Å; W604-V735 HydrophobicContact CE3-CG1 4.38Å; W604-V735 HydrophobicContact CH2-CB 4.33Å; W604-V735 HydrophobicContact CH2-CG2 4.05Å; W604-V735 HydrophobicContact CZ3-CB 3.52Å; W604-V735 HydrophobicContact CZ3-CG1 4.05Å; W604-V735 HydrophobicContact CZ3-CG2 3.75Å; L608-V735 HydrophobicContact CB-CB 4.27Å; L608-V735 HydrophobicContact CB-CG2 4.41Å; L608-V735 HydrophobicContact CD2-CG2 4.02Å; L608-V735 PolarHBondContact O-N 3.09Å; V735-L741 HydrophobicContact CG1-CB 4.4Å; V735-L741 HydrophobicContact CG1-CD1 4.26Å; V735-L741 HydrophobicContact CG1-CD2 3.9Å; V735-L741 HydrophobicContact CG1-CG 3.77Å; V735-G742 WeakPolarHBondContact CA-O 3.36Å; V735-F743 HydrophobicContact CG2-CB 4.32Å; V735-F743 HydrophobicContact CG2-CD2 4.22Å
736	L	78.4	Confident	85.1	Confident	78.3333 Å²	78.3333	46.2 Å²	46.2	41%	0.41	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	144.8	-177.7	-71.4	176.1	0	0	0	111.5	P607 I734 L741 G742 I746	P607-L736 HydrophobicContact CB-CD2 4.38Å; I734-L736 HydrophobicContact CB-CG 4.35Å; I734-L736 HydrophobicContact CD1-CD1 3.82Å; I734-L736 HydrophobicContact CD1-CD2 3.84Å; I734-L736 HydrophobicContact CD1-CG 3.67Å; I734-L736 HydrophobicContact CG1-CD1 4.47Å; I734-L736 HydrophobicContact CG1-CG 4.08Å; I734-L736 HydrophobicContact CG2-CD1 4.5Å; I734-L736 HydrophobicContact CG2-CD2 3.58Å; I734-L736 HydrophobicContact CG2-CG 3.73Å; L736-L741 WeakPolarHBondContact O-CA 3.37Å; L736-G742 PolarHBondContact N-O 3.34Å; L736-G742 VanDerWaalsContact N-O 3.09Å; L736-G742 PolarHBondContact O-N 3.42Å; L736-I746 HydrophobicContact CD1-CD1 4.23Å
737	G	72.4	Confident	84.8	Confident	47.3333 Å²	47.3333	46.7 Å²	46.7	49%	0.488	25%	0.25	S	C	.	.			trans	105.3	170	169.6	0	0	0	0	0	115.2	S739 L741	G737-S739 VanDerWaalsContact C-N 3.34Å; G737-L741 WeakPolarHBondContact O-CB 3.37Å
738	R	67.3	Low	84.6	Confident	196 Å²	196	50.1 Å²	50.1	74%	0.74	27%	0.268	S	S	*	.	S	Bend	trans	-125	-31.3	169.7	-72.3	-174.5	176.7	162.5	-0.2	112.5	Y1220	R738-Y1220 PolarHBondContact NH1-OH 3.33Å
739	S	65.4	Low	84.5	Confident	102.333 Å²	102.333	50.5 Å²	50.5	72%	0.716	27%	0.27	S	S	*	.	S	Bend	trans	-116	-20.4	173.9	54.9	0	0	0	0	111.3	G737	G737-S739 VanDerWaalsContact C-N 3.34Å
740	R	71.3	Confident	84.4	Confident	142.667 Å²	142.667	50.1 Å²	50.1	54%	0.538	27%	0.265	S	S	.	.	S	Bend	trans	-109.4	81.5	177.9	-63.4	179.3	178.1	180	-3.4	108.4	G742 S1106	R740-G742 PolarHBondContact O-N 2.74Å; R740-S1106 VanDerWaalsContact NH1-CB 3.34Å; R740-S1106 PolarHBondContact NH1-OG 2.88Å
741	L	74.3	Confident	84.3	Confident	34.3333 Å²	34.3333	50.6 Å²	50.6	18%	0.18	27%	0.268	C	S	.	.			trans	-75.1	128.6	175.1	-98.2	160.8	0	0	0	109.2	L593 F597 W604 V735 L736 G737	L593-L741 HydrophobicContact CD2-CD1 4.45Å; F597-L741 HydrophobicContact CZ-CD1 4.02Å; W604-L741 HydrophobicContact CH2-CD1 3.78Å; W604-L741 HydrophobicContact CH2-CD2 3.45Å; W604-L741 VanDerWaalsContact CH2-CD2 3.45Å; W604-L741 HydrophobicContact CH2-CG 4.29Å; W604-L741 HydrophobicContact CZ2-CD1 4.23Å; W604-L741 HydrophobicContact CZ2-CD2 3.79Å; W604-L741 HydrophobicContact CZ3-CD2 4.38Å; V735-L741 HydrophobicContact CG1-CB 4.4Å; V735-L741 HydrophobicContact CG1-CD1 4.26Å; V735-L741 HydrophobicContact CG1-CD2 3.9Å; V735-L741 HydrophobicContact CG1-CG 3.77Å; L736-L741 WeakPolarHBondContact O-CA 3.37Å; G737-L741 WeakPolarHBondContact O-CB 3.37Å
742	G	78	Confident	84.2	Confident	30 Å²	30	50.6 Å²	50.6	31%	0.309	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	137.4	177.4	0	0	0	0	0	111.6	V735 L736 R740	V735-G742 WeakPolarHBondContact CA-O 3.36Å; L736-G742 PolarHBondContact N-O 3.34Å; L736-G742 VanDerWaalsContact N-O 3.09Å; L736-G742 PolarHBondContact O-N 3.42Å; R740-G742 PolarHBondContact O-N 2.74Å
743	F	86.8	Confident	84.2	Confident	13 Å²	13	45.5 Å²	45.5	6%	0.057	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.9	169.6	177.6	-94.3	0	0	0	109.8	P586 L589 Y672 V674 Y687 A733 I734 V735	P586-F743 HydrophobicContact CG-CD1 4.25Å; P586-F743 HydrophobicContact CG-CD2 4.15Å; P586-F743 HydrophobicContact CG-CE1 4.19Å; P586-F743 HydrophobicContact CG-CE2 4.09Å; P586-F743 HydrophobicContact CG-CG 4.24Å; P586-F743 HydrophobicContact CG-CZ 4.12Å; L589-F743 HydrophobicContact CD1-CD2 4.12Å; L589-F743 HydrophobicContact CD1-CE2 3.97Å; L589-F743 HydrophobicContact CD2-CD2 3.82Å; L589-F743 HydrophobicContact CD2-CE2 3.99Å; Y672-F743 HydrophobicContact CD1-CE1 4.48Å; Y672-F743 HydrophobicContact CE1-CD1 4.11Å; Y672-F743 HydrophobicContact CE1-CE1 4.09Å; V674-F743 HydrophobicContact CG1-CD1 4.1Å; V674-F743 HydrophobicContact CG1-CE1 4.04Å; V674-F743 HydrophobicContact CG2-CE1 4.25Å; Y687-F743 HydrophobicContact CD1-CZ 4.08Å; Y687-F743 HydrophobicContact CE1-CE1 4.39Å; Y687-F743 AromaticContact CE1-CE2 3.89Å; Y687-F743 HydrophobicContact CE1-CE2 3.89Å; Y687-F743 AromaticContact CE1-CZ 3.45Å; Y687-F743 HydrophobicContact CE1-CZ 3.45Å; Y687-F743 VanDerWaalsContact CE1-CZ 3.45Å; A733-F743 HydrophobicContact CB-CE2 3.81Å; A733-F743 HydrophobicContact CB-CZ 3.72Å; I734-F743 WeakPolarHBondContact O-CA 3.36Å; V735-F743 HydrophobicContact CG2-CB 4.32Å; V735-F743 HydrophobicContact CG2-CD2 4.22Å
744	D	89.8	Confident	84.2	Confident	30 Å²	30	46.6 Å²	46.6	16%	0.16	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	165.2	-179.1	-159.8	19.3	0	0	0	112.8	R675 I734	R675-D744 IonicContact CZ-OD1 3.44Å; R675-D744 VanDerWaalsContact CZ-OD1 3.22Å; R675-D744 IonicContact CZ-OD2 3.04Å; R675-D744 IonicContact NE-OD1 3.18Å; R675-D744 PolarHBondContact NE-OD1 3.15Å; R675-D744 IonicContact NE-OD2 3.28Å; R675-D744 PolarHBondContact NE-OD2 2.97Å; R675-D744 IonicContact NH2-OD1 3.67Å; R675-D744 PolarHBondContact NH2-OD1 3.29Å; R675-D744 IonicContact NH2-OD2 3.13Å; R675-D744 PolarHBondContact NH2-OD2 3.07Å; I734-D744 HydrophobicContact CG1-CB 4.47Å; I734-D744 PolarHBondContact N-O 3.22Å; I734-D744 PolarHBondContact O-N 3.24Å
745	L	91.6	Very high	84.3	Confident	1.66667 Å²	1.66667	50.6 Å²	50.6	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.7	176.5	-69.4	173.5	0	0	0	111.6	L612 F617 V674 R675 I684 A731 A733 V750	L612-L745 HydrophobicContact CD1-CD2 4.01Å; F617-L745 HydrophobicContact CD1-CD1 3.81Å; F617-L745 HydrophobicContact CE1-CD1 3.98Å; V674-L745 HydrophobicContact CB-CD1 4.37Å; V674-L745 HydrophobicContact CG1-CB 4.39Å; V674-L745 HydrophobicContact CG1-CD1 4.08Å; V674-L745 HydrophobicContact CG1-CG 3.82Å; V674-L745 HydrophobicContact CG2-CD1 3.75Å; V674-L745 HydrophobicContact CG2-CG 4.23Å; R675-L745 PolarHBondContact NH2-O 3.24Å; I684-L745 HydrophobicContact CB-CD1 4.18Å; I684-L745 HydrophobicContact CD1-CD1 3.92Å; I684-L745 HydrophobicContact CD1-CD2 4.1Å; I684-L745 HydrophobicContact CG1-CD1 4.47Å; A731-L745 HydrophobicContact CB-CD2 4.01Å; A733-L745 HydrophobicContact CB-CD2 3.84Å; L745-V750 HydrophobicContact CB-CG1 4.18Å; L745-V750 HydrophobicContact CB-CG2 4.1Å
746	I	90.5	Very high	84.7	Confident	86 Å²	86	50 Å²	50	44%	0.441	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.8	172.8	-59.8	-167.9	0	0	0	110	Y732 I734 L736	Y732-I746 WeakPolarHBondContact CB-O 3.36Å; Y732-I746 PolarHBondContact N-O 3.21Å; Y732-I746 PolarHBondContact O-N 3.06Å; I734-I746 HydrophobicContact CD1-CB 4.35Å; I734-I746 HydrophobicContact CD1-CD1 3.62Å; I734-I746 VanDerWaalsContact CD1-CD1 3.44Å; I734-I746 HydrophobicContact CD1-CG1 3.85Å; L736-I746 HydrophobicContact CD1-CD1 4.23Å
747	G	89.8	Confident	85.2	Confident	12.3333 Å²	12.3333	46.4 Å²	46.4	13%	0.127	25%	0.246	C	C	.	.	S	Bend	trans	169.8	159.3	174.3	0	0	0	0	0	111.7	D749 V750 T751	G747-D749 VanDerWaalsContact C-N 3.29Å; G747-D749 PolarHBondContact O-N 3.18Å; G747-V750 WeakPolarHBondContact O-CB 3.31Å; G747-V750 PolarHBondContact O-N 3.34Å; G747-T751 WeakPolarHBondContact O-CB 3.33Å; G747-T751 PolarHBondContact O-N 3.25Å; G747-T751 PolarHBondContact O-OG1 3.08Å
748	D	91	Very high	85.9	Confident	74 Å²	74	50.7 Å²	50.7	40%	0.396	25%	0.249	S	C	.	.	H	α-helix	trans	-59.4	-43.2	178.1	-68.2	-32.4	0	0	0	110.8	V750 T751 Y752 Y790 P791	D748-V750 VanDerWaalsContact C-N 3.32Å; D748-V750 PolarHBondContact O-N 3.3Å; D748-T751 PolarHBondContact O-N 3.07Å; D748-T751 VanDerWaalsContact O-N 3.17Å; D748-T751 PolarHBondContact O-OG1 3.1Å; D748-Y752 WeakPolarHBondContact O-CB 3.28Å; D748-Y752 PolarHBondContact O-N 3.17Å; D748-Y790 HydrophobicContact CB-CE1 4.34Å; D748-Y790 WeakPolarHBondContact CB-OH 3.48Å; D748-P791 HydrophobicContact CB-CG 4.45Å
749	D	93.1	Very high	86.8	Confident	14.6667 Å²	14.6667	42 Å²	42	8%	0.078	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-40.6	174.9	-61.2	-39.6	0	0	0	112.4	F617 H727 T730 G747 T751 Y752 V753 Y790	F617-D749 HydrophobicContact CE2-CB 3.93Å; H727-D749 PolarHBondContact CD2-O 3.34Å; H727-D749 IonicContact CE1-OD1 3Å; H727-D749 WeakPolarHBondContact NE2-CB 3.39Å; H727-D749 IonicContact NE2-OD1 3.57Å; H727-D749 PolarHBondContact NE2-OD1 3.03Å; T730-D749 WeakPolarHBondContact CA-OD2 3.29Å; T730-D749 PolarHBondContact N-OD2 3.12Å; T730-D749 WeakPolarHBondContact O-CB 3.31Å; T730-D749 VanDerWaalsContact O-OD2 3.14Å; T730-D749 PolarHBondContact OG1-OD2 3.12Å; G747-D749 VanDerWaalsContact C-N 3.29Å; G747-D749 PolarHBondContact O-N 3.18Å; D749-T751 PolarHBondContact O-N 3.11Å; D749-Y752 WeakPolarHBondContact O-CB 3.27Å; D749-Y752 PolarHBondContact O-N 3.15Å; D749-V753 WeakPolarHBondContact O-CG2 3.27Å; D749-V753 PolarHBondContact O-N 2.95Å; D749-Y790 VanDerWaalsContact OD1-CE2 3.3Å; D749-Y790 WeakPolarHBondContact OD1-CE2 3.36Å; D749-Y790 PolarHBondContact OD1-OH 3.02Å
750	V	91.7	Very high	87.8	Confident	5.33333 Å²	5.33333	37.2 Å²	37.2	3%	0.032	19%	0.186	C	C	.	.	H	α-helix	trans	-64.3	-46.3	176.5	-172.5	0	0	0	0	110.3	F617 L682 A731 L745 G747 D748 Y752 V753 S754	F617-V750 HydrophobicContact CD1-CG2 4.44Å; F617-V750 HydrophobicContact CE1-CG2 4.15Å; F617-V750 HydrophobicContact CE2-CG2 4.36Å; F617-V750 HydrophobicContact CZ-CG2 4.09Å; L682-V750 HydrophobicContact CD2-CG1 4.4Å; A731-V750 HydrophobicContact CB-CG2 3.59Å; L745-V750 HydrophobicContact CB-CG1 4.18Å; L745-V750 HydrophobicContact CB-CG2 4.1Å; G747-V750 WeakPolarHBondContact O-CB 3.31Å; G747-V750 PolarHBondContact O-N 3.34Å; D748-V750 VanDerWaalsContact C-N 3.32Å; D748-V750 PolarHBondContact O-N 3.3Å; V750-Y752 VanDerWaalsContact C-N 3.27Å; V750-Y752 PolarHBondContact O-N 3.03Å; V750-V753 PolarHBondContact O-N 3.01Å; V750-V753 VanDerWaalsContact O-N 3.14Å; V750-S754 PolarHBondContact O-N 3.14Å; V750-S754 VanDerWaalsContact O-N 3.12Å; V750-S754 PolarHBondContact O-OG 3.23Å
751	T	91	Very high	88.3	Confident	55.3333 Å²	55.3333	36.7 Å²	36.7	34%	0.339	19%	0.185	S	C	.	.	H	α-helix	trans	-65.3	-31.7	176.1	44.9	0	0	0	0	112	G747 D748 D749 R755	G747-T751 WeakPolarHBondContact O-CB 3.33Å; G747-T751 PolarHBondContact O-N 3.25Å; G747-T751 PolarHBondContact O-OG1 3.08Å; D748-T751 PolarHBondContact O-N 3.07Å; D748-T751 VanDerWaalsContact O-N 3.17Å; D748-T751 PolarHBondContact O-OG1 3.1Å; D749-T751 PolarHBondContact O-N 3.11Å; T751-R755 WeakPolarHBondContact O-CB 3.35Å; T751-R755 WeakPolarHBondContact O-CD 3.42Å; T751-R755 VanDerWaalsContact O-CG 3.23Å; T751-R755 WeakPolarHBondContact O-CG 3.38Å; T751-R755 PolarHBondContact O-N 3.07Å; T751-R755 VanDerWaalsContact O-N 3.15Å; T751-R755 PolarHBondContact OG1-NH1 3.48Å
752	Y	92.1	Very high	88.5	Confident	0.333333 Å²	0.333333	39.2 Å²	39.2	0%	0.001	19%	0.192	C	C	.	.	H	α-helix	trans	-65.7	-41.5	173	175.8	-93.3	0	0	0	111.1	H727 D748 D749 V750 R755 L756 F788 Y790 M812	H727-Y752 HydrophobicContact CB-CD1 4.09Å; H727-Y752 HydrophobicContact CB-CE1 4.14Å; H727-Y752 AromaticContact CD2-CD1 3.63Å; H727-Y752 AromaticContact CE1-CD1 3.95Å; H727-Y752 AromaticContact CG-CD1 3.59Å; H727-Y752 AromaticContact CG-CE1 3.8Å; H727-Y752 AromaticContact ND1-CD1 3.88Å; H727-Y752 AromaticContact ND1-CE1 3.77Å; H727-Y752 AromaticContact NE2-CD1 3.92Å; D748-Y752 WeakPolarHBondContact O-CB 3.28Å; D748-Y752 PolarHBondContact O-N 3.17Å; D749-Y752 WeakPolarHBondContact O-CB 3.27Å; D749-Y752 PolarHBondContact O-N 3.15Å; V750-Y752 VanDerWaalsContact C-N 3.27Å; V750-Y752 PolarHBondContact O-N 3.03Å; Y752-R755 PolarHBondContact O-N 3.24Å; Y752-L756 HydrophobicContact CE1-CB 4.46Å; Y752-L756 HydrophobicContact CE1-CD2 4.03Å; Y752-L756 VanDerWaalsContact O-CB 3.25Å; Y752-L756 WeakPolarHBondContact O-CB 3.35Å; Y752-L756 PolarHBondContact O-N 3.24Å; Y752-F788 HydrophobicContact CD2-CD1 4.15Å; Y752-F788 HydrophobicContact CE2-CB 4.44Å; Y752-F788 AromaticContact CE2-CD1 3.68Å; Y752-F788 HydrophobicContact CE2-CD1 3.68Å; Y752-Y790 HydrophobicContact CD1-CD2 4.42Å; Y752-Y790 AromaticContact CD2-CD2 3.63Å; Y752-Y790 HydrophobicContact CD2-CD2 3.63Å; Y752-Y790 HydrophobicContact CD2-CE2 4.33Å; Y752-Y790 HydrophobicContact CD2-CG 4.3Å; Y752-Y790 AromaticContact CE2-CD2 3.96Å; Y752-Y790 HydrophobicContact CE2-CD2 4Å; Y752-Y790 AromaticContact CG-CD2 3.91Å; Y752-Y790 HydrophobicContact CG-CD2 3.91Å; Y752-Y790 HydrophobicContact CG-CE2 4.16Å; Y752-M812 HydrophobicContact CE1-SD 3.91Å; Y752-M812 HydrophobicContact CE2-CB 4.33Å; Y752-M812 WeakPolarHBondContact OH-CB 3.38Å; Y752-M812 VanDerWaalsContact OH-CG 3.31Å; Y752-M812 WeakPolarHBondContact OH-CG 3.46Å
753	V	92.4	Very high	88.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-52.3	177.2	-164.7	0	0	0	0	111.1	F617 S725 H727 D749 V750 R755 L756 K757	F617-V753 HydrophobicContact CB-CB 4.45Å; F617-V753 HydrophobicContact CB-CG1 4.41Å; F617-V753 HydrophobicContact CB-CG2 3.76Å; F617-V753 HydrophobicContact CD2-CG2 3.77Å; F617-V753 HydrophobicContact CG-CG2 4.17Å; S725-V753 PolarHBondContact OG-O 3.29Å; H727-V753 HydrophobicContact CB-CG2 3.65Å; D749-V753 WeakPolarHBondContact O-CG2 3.27Å; D749-V753 PolarHBondContact O-N 2.95Å; V750-V753 PolarHBondContact O-N 3.01Å; V750-V753 VanDerWaalsContact O-N 3.14Å; V753-R755 PolarHBondContact O-N 3Å; V753-R755 VanDerWaalsContact O-N 3.1Å; V753-L756 WeakPolarHBondContact O-CB 3.37Å; V753-L756 PolarHBondContact O-N 3.07Å; V753-L756 VanDerWaalsContact O-N 3.1Å; V753-K757 PolarHBondContact O-N 3.14Å; V753-K757 VanDerWaalsContact O-N 3.09Å
754	S	90.1	Very high	87.7	Confident	23.3333 Å²	23.3333	44.7 Å²	44.7	16%	0.163	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-24.4	178.9	-63.4	0	0	0	0	113.1	E680 V750 K757 Y758	E680-S754 VanDerWaalsContact OE1-CB 3.24Å; E680-S754 WeakPolarHBondContact OE1-CB 3.38Å; E680-S754 PolarHBondContact OE1-OG 3.1Å; V750-S754 PolarHBondContact O-N 3.14Å; V750-S754 VanDerWaalsContact O-N 3.12Å; V750-S754 PolarHBondContact O-OG 3.23Å; S754-K757 WeakPolarHBondContact O-CB 3.32Å; S754-K757 WeakPolarHBondContact O-CE 3.38Å; S754-Y758 WeakPolarHBondContact O-CE2 3.26Å
755	R	90.3	Very high	87.6	Confident	102 Å²	102	46.4 Å²	46.4	39%	0.385	23%	0.228	S	C	.	.	H	α-helix	trans	-85.5	-40.5	172.6	-71.9	174.2	-176.1	167.5	4	113.2	T751 Y752 V753 K757 Y758 F788 T1113 T1114	T751-R755 WeakPolarHBondContact O-CB 3.35Å; T751-R755 WeakPolarHBondContact O-CD 3.42Å; T751-R755 VanDerWaalsContact O-CG 3.23Å; T751-R755 WeakPolarHBondContact O-CG 3.38Å; T751-R755 PolarHBondContact O-N 3.07Å; T751-R755 VanDerWaalsContact O-N 3.15Å; T751-R755 PolarHBondContact OG1-NH1 3.48Å; Y752-R755 PolarHBondContact O-N 3.24Å; V753-R755 PolarHBondContact O-N 3Å; V753-R755 VanDerWaalsContact O-N 3.1Å; R755-K757 PolarHBondContact O-N 3.08Å; R755-Y758 PolarHBondContact O-N 3.06Å; R755-F788 HydrophobicContact CB-CE1 3.84Å; R755-F788 HydrophobicContact CB-CZ 3.94Å; R755-T1113 PolarHBondContact NH2-O 3.23Å; R755-T1114 PolarHBondContact NE-OG1 2.72Å
756	L	90.6	Very high	87.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.4	-35.3	177	178.7	65.3	0	0	0	111.2	H727 Y752 V753 Y758 A759 A760 L767 F788 T814	H727-L756 HydrophobicContact CB-CD2 4.37Å; Y752-L756 HydrophobicContact CE1-CB 4.46Å; Y752-L756 HydrophobicContact CE1-CD2 4.03Å; Y752-L756 VanDerWaalsContact O-CB 3.25Å; Y752-L756 WeakPolarHBondContact O-CB 3.35Å; Y752-L756 PolarHBondContact O-N 3.24Å; V753-L756 WeakPolarHBondContact O-CB 3.37Å; V753-L756 PolarHBondContact O-N 3.07Å; V753-L756 VanDerWaalsContact O-N 3.1Å; L756-Y758 PolarHBondContact O-N 3.04Å; L756-A759 CarbonylContact O-C 3.58Å; L756-A759 WeakPolarHBondContact O-CA 3.43Å; L756-A759 WeakPolarHBondContact O-CB 3.39Å; L756-A759 PolarHBondContact O-N 3.02Å; L756-A760 PolarHBondContact O-N 3.39Å; L756-L767 HydrophobicContact CD1-CD2 3.63Å; L756-L767 HydrophobicContact CD1-CG 4.01Å; L756-L767 HydrophobicContact CG-CD2 4.03Å; L756-L767 HydrophobicContact CG-CG 4.24Å; L756-F788 HydrophobicContact CD1-CB 4.38Å; L756-F788 HydrophobicContact CD1-CG 4.46Å; L756-T814 HydrophobicContact CD1-CG2 3.63Å
757	K	89.7	Confident	87.9	Confident	3.66667 Å²	3.66667	42.2 Å²	42.2	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-44.6	-41.5	169.3	-170.2	-178.2	63.4	155.9	0	114.5	S619 E621 N679 E680 S725 V753 S754 R755 A759 A760	S619-K757 WeakPolarHBondContact OG-CD 3.49Å; E621-K757 HydrophobicContact CB-CD 3.7Å; E621-K757 HydrophobicContact CB-CG 4.3Å; E621-K757 VanDerWaalsContact CD-NZ 3.34Å; E621-K757 IonicContact OE1-NZ 3.75Å; E621-K757 VanDerWaalsContact OE2-CE 3.29Å; E621-K757 WeakPolarHBondContact OE2-CE 3.3Å; E621-K757 IonicContact OE2-NZ 3.05Å; E621-K757 PolarHBondContact OE2-NZ 3.21Å; N679-K757 PolarHBondContact O-NZ 2.92Å; E680-K757 IonicContact OE1-NZ 3.78Å; E680-K757 PolarHBondContact OE1-NZ 3.2Å; S725-K757 WeakPolarHBondContact OG-CA 3.35Å; S725-K757 WeakPolarHBondContact OG-CB 3.43Å; S725-K757 PolarHBondContact OG-N 3.11Å; V753-K757 PolarHBondContact O-N 3.14Å; V753-K757 VanDerWaalsContact O-N 3.09Å; S754-K757 WeakPolarHBondContact O-CB 3.32Å; S754-K757 WeakPolarHBondContact O-CE 3.38Å; R755-K757 PolarHBondContact O-N 3.08Å; K757-A759 VanDerWaalsContact C-N 3.27Å; K757-A759 PolarHBondContact O-N 3.31Å; K757-A760 VanDerWaalsContact O-CB 3.32Å; K757-A760 WeakPolarHBondContact O-CB 3.33Å; K757-A760 PolarHBondContact O-N 3.09Å; K757-A760 VanDerWaalsContact O-N 3.11Å
758	Y	86.2	Confident	88.1	Confident	136.667 Å²	136.667	41.6 Å²	41.6	54%	0.536	20%	0.201	S	C	.	.	H	α-helix	trans	-71.9	-21.6	179.1	-61.5	-64.4	0	0	0	113.1	S754 R755 L756 A760	S754-Y758 WeakPolarHBondContact O-CE2 3.26Å; R755-Y758 PolarHBondContact O-N 3.06Å; L756-Y758 PolarHBondContact O-N 3.04Å; Y758-A760 VanDerWaalsContact C-N 3.35Å
759	A	88.1	Confident	88.2	Confident	14 Å²	14	38.1 Å²	38.1	12%	0.116	18%	0.182	C	C	.	.	H	α-helix	trans	-84.7	-6.8	171.9	0	0	0	0	0	113	L756 K757 Y761 L767 P786 F788	L756-A759 CarbonylContact O-C 3.58Å; L756-A759 WeakPolarHBondContact O-CA 3.43Å; L756-A759 WeakPolarHBondContact O-CB 3.39Å; L756-A759 PolarHBondContact O-N 3.02Å; K757-A759 VanDerWaalsContact C-N 3.27Å; K757-A759 PolarHBondContact O-N 3.31Å; A759-Y761 VanDerWaalsContact O-CD1 3.26Å; A759-Y761 WeakPolarHBondContact O-CD1 3.38Å; A759-Y761 PolarHBondContact O-N 3.2Å; A759-L767 VanDerWaalsContact C-CD2 3.46Å; A759-L767 HydrophobicContact CB-CD2 3.93Å; A759-L767 WeakPolarHBondContact O-CD2 3.37Å; A759-P786 HydrophobicContact CB-CG 3.88Å; A759-F788 HydrophobicContact CB-CD2 3.85Å; A759-F788 HydrophobicContact CB-CE2 4.02Å
760	A	85.8	Confident	88.2	Confident	1.33333 Å²	1.33333	41.8 Å²	41.8	1%	0.011	20%	0.195	C	C	.	.			trans	-79.3	61.1	174.7	0	0	0	0	0	111.2	R723 L756 K757 Y758 R762 L767	R723-A760 HydrophobicContact CB-CB 4.31Å; R723-A760 WeakPolarHBondContact CD-O 3.28Å; R723-A760 VanDerWaalsContact CG-O 3.32Å; R723-A760 WeakPolarHBondContact CG-O 3.37Å; L756-A760 PolarHBondContact O-N 3.39Å; K757-A760 VanDerWaalsContact O-CB 3.32Å; K757-A760 WeakPolarHBondContact O-CB 3.33Å; K757-A760 PolarHBondContact O-N 3.09Å; K757-A760 VanDerWaalsContact O-N 3.11Å; Y758-A760 VanDerWaalsContact C-N 3.35Å; A760-R762 VanDerWaalsContact C-N 3.32Å; A760-R762 PolarHBondContact O-N 3.18Å; A760-L767 HydrophobicContact CB-CB 3.71Å; A760-L767 HydrophobicContact CB-CD2 4Å
761	Y	81.1	Confident	88.2	Confident	133.667 Å²	133.667	42.9 Å²	42.9	52%	0.524	20%	0.203	S	C	.	.			trans	-80	-11.4	-173.9	72.2	-92.1	0	0	0	114.5	A759 P786 F816	A759-Y761 VanDerWaalsContact O-CD1 3.26Å; A759-Y761 WeakPolarHBondContact O-CD1 3.38Å; A759-Y761 PolarHBondContact O-N 3.2Å; Y761-P786 HydrophobicContact CE1-CG 4.42Å; Y761-F816 HydrophobicContact CD1-CZ 4.2Å; Y761-F816 HydrophobicContact CE1-CE2 4.19Å; Y761-F816 AromaticContact CE1-CZ 3.9Å; Y761-F816 HydrophobicContact CE1-CZ 3.94Å
762	R	78	Confident	88.3	Confident	85.6667 Å²	85.6667	40.3 Å²	40.3	32%	0.323	19%	0.187	S	C	.	.	S	Bend	trans	-90.5	125	179.7	-65	-171.9	-178.5	-166.2	1.3	110.5	A760 R765 E783 F816	A760-R762 VanDerWaalsContact C-N 3.32Å; A760-R762 PolarHBondContact O-N 3.18Å; R762-R765 HydrophobicContact CB-CB 4.22Å; R762-R765 HydrophobicContact CB-CG 4.12Å; R762-E783 IonicContact CZ-OE2 3.15Å; R762-E783 IonicContact NH1-OE2 3.29Å; R762-E783 PolarHBondContact NH1-OE2 3.23Å; R762-F816 HydrophobicContact CB-CD1 4.3Å; R762-F816 HydrophobicContact CB-CE1 3.91Å; R762-F816 HydrophobicContact CB-CZ 4.15Å; R762-F816 HydrophobicContact CG-CD1 4.34Å; R762-F816 HydrophobicContact CG-CD2 4.32Å; R762-F816 HydrophobicContact CG-CE1 4.1Å; R762-F816 HydrophobicContact CG-CE2 4.07Å; R762-F816 HydrophobicContact CG-CZ 3.81Å
763	P	73.3	Confident	88.4	Confident	80.6667 Å²	80.6667	42.7 Å²	42.7	52%	0.524	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	157.8	173.2	29.3	-35	0	0	0	111.2	R765	P763-R765 PolarHBondContact O-N 3.21Å; P763-R765 VanDerWaalsContact O-N 3.15Å
764	C	75.8	Confident	88.3	Confident	78.6667 Å²	78.6667	47.5 Å²	47.5	53%	0.532	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	34.5	175.5	-56.8	0	0	0	0	114.5
765	R	88.1	Confident	88.4	Confident	64.3333 Å²	64.3333	49.7 Å²	49.7	24%	0.243	23%	0.231	C	C	.	.			trans	-141.8	140.9	173.9	-69.4	-65.8	-174.3	-92.4	3.7	110.2	R762 P763 E783 F816 V817	R762-R765 HydrophobicContact CB-CB 4.22Å; R762-R765 HydrophobicContact CB-CG 4.12Å; P763-R765 PolarHBondContact O-N 3.21Å; P763-R765 VanDerWaalsContact O-N 3.15Å; R765-E783 IonicContact CZ-OE1 3.07Å; R765-E783 VanDerWaalsContact CZ-OE1 3.31Å; R765-E783 IonicContact NE-OE1 3.16Å; R765-E783 PolarHBondContact NE-OE1 3.07Å; R765-E783 IonicContact NE-OE2 3.29Å; R765-E783 IonicContact NH2-OE1 3.57Å; R765-E783 PolarHBondContact NH2-OE1 3.13Å; R765-F816 HydrophobicContact CB-CB 4.17Å; R765-F816 HydrophobicContact CB-CD1 3.79Å; R765-F816 HydrophobicContact CB-CG 4.35Å; R765-F816 HydrophobicContact CG-CB 4.34Å; R765-V817 WeakPolarHBondContact CD-O 3.07Å
766	V	93.1	Very high	88.4	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123	169.8	-179	0	0	0	0	108.3	L703 L706 V724 V726 T768 F816 V817	L703-V766 HydrophobicContact CD2-CG2 4.03Å; L703-V766 HydrophobicContact CG-CG2 4.16Å; L706-V766 HydrophobicContact CD1-CG2 3.65Å; V724-V766 HydrophobicContact CB-CG1 4.49Å; V724-V766 HydrophobicContact CB-CG2 4.43Å; V724-V766 HydrophobicContact CG1-CG1 4.12Å; V724-V766 HydrophobicContact CG1-CG2 4.39Å; V726-V766 HydrophobicContact CB-CG1 4.39Å; V726-V766 HydrophobicContact CG2-CG1 3.64Å; V766-T768 HydrophobicContact CG1-CG2 4.02Å; V766-F816 WeakPolarHBondContact O-CA 3.36Å; V766-V817 PolarHBondContact N-O 3.33Å; V766-V817 PolarHBondContact O-N 3.25Å
767	L	94.4	Very high	88.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.4	173.9	-176.8	58.5	0	0	0	110.1	V724 S725 V726 L756 A759 A760 P786 F816	V724-L767 PolarHBondContact O-N 2.98Å; S725-L767 CarbonylContact C-O 3.53Å; S725-L767 VanDerWaalsContact CA-O 3.27Å; S725-L767 WeakPolarHBondContact CA-O 3.26Å; V726-L767 PolarHBondContact N-O 3.07Å; L756-L767 HydrophobicContact CD1-CD2 3.63Å; L756-L767 HydrophobicContact CD1-CG 4.01Å; L756-L767 HydrophobicContact CG-CD2 4.03Å; L756-L767 HydrophobicContact CG-CG 4.24Å; A759-L767 VanDerWaalsContact C-CD2 3.46Å; A759-L767 HydrophobicContact CB-CD2 3.93Å; A759-L767 WeakPolarHBondContact O-CD2 3.37Å; A760-L767 HydrophobicContact CB-CB 3.71Å; A760-L767 HydrophobicContact CB-CD2 4Å; L767-P786 HydrophobicContact CD2-CG 4.42Å; L767-F816 HydrophobicContact CB-CD1 4.1Å; L767-F816 HydrophobicContact CB-CE1 3.96Å; L767-F816 HydrophobicContact CD1-CD1 3.9Å; L767-F816 HydrophobicContact CD1-CD2 4.34Å; L767-F816 HydrophobicContact CD1-CE1 3.83Å; L767-F816 HydrophobicContact CD1-CE2 4.27Å; L767-F816 HydrophobicContact CD1-CG 4.17Å; L767-F816 HydrophobicContact CD1-CZ 4.02Å; L767-F816 HydrophobicContact CD2-CE1 4.39Å; L767-F816 HydrophobicContact CG-CE1 4.29Å
768	T	94.1	Very high	87.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	149.9	-176.5	67.6	0	0	0	0	111.5	I699 V726 V766 T772 T814 Y815 V817	I699-T768 HydrophobicContact CD1-CG2 3.6Å; I699-T768 HydrophobicContact CG1-CG2 4.26Å; V726-T768 HydrophobicContact CB-CG2 4.44Å; V726-T768 CarbonylContact O-C 3.44Å; V726-T768 VanDerWaalsContact O-CA 3.3Å; V726-T768 WeakPolarHBondContact O-CA 3.29Å; V766-T768 HydrophobicContact CG1-CG2 4.02Å; T768-T772 HydrophobicContact CG2-CG2 4.4Å; T768-T814 CarbonylContact O-C 3.35Å; T768-T814 WeakPolarHBondContact O-CA 3.47Å; T768-T814 WeakPolarHBondContact O-CB 3.35Å; T768-Y815 PolarHBondContact N-O 2.85Å; T768-Y815 PolarHBondContact O-N 3.16Å; T768-Y815 PolarHBondContact OG1-O 2.93Å; T768-V817 HydrophobicContact CG2-CB 4.27Å; T768-V817 HydrophobicContact CG2-CG2 3.58Å
769	S	93.5	Very high	87	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	161	169.7	73.7	0	0	0	0	112.1	V726 H727 S771 T772 F773	V726-S769 PolarHBondContact O-N 3.06Å; V726-S769 VanDerWaalsContact O-N 3.11Å; H727-S769 WeakPolarHBondContact CA-OG 3.49Å; H727-S769 VanDerWaalsContact ND1-CB 3.32Å; H727-S769 WeakPolarHBondContact ND1-CB 3.4Å; H727-S769 PolarHBondContact ND1-OG 2.9Å; S769-S771 VanDerWaalsContact C-N 3.26Å; S769-S771 PolarHBondContact O-N 3.34Å; S769-S771 PolarHBondContact OG-OG 2.97Å; S769-T772 PolarHBondContact N-OG1 2.99Å; S769-T772 WeakPolarHBondContact O-CA 3.28Å; S769-T772 VanDerWaalsContact O-CB 3.3Å; S769-T772 WeakPolarHBondContact O-CB 3.29Å; S769-T772 PolarHBondContact O-N 3.27Å; S769-T772 VanDerWaalsContact O-N 3.08Å; S769-T772 PolarHBondContact O-OG1 3.09Å; S769-T772 PolarHBondContact OG-N 3.25Å; S769-T772 PolarHBondContact OG-OG1 3.02Å; S769-F773 PolarHBondContact O-N 3.11Å
770	R	92.4	Very high	86.7	Confident	92 Å²	92	55.4 Å²	55.4	35%	0.347	29%	0.286	S	S	.	.	H	α-helix	trans	-55.5	-34.4	174.5	-171.6	67.7	-154.7	-140.7	11.4	114	F773 N774 M812 E813 Y815	R770-F773 PolarHBondContact O-N 3.06Å; R770-N774 PolarHBondContact NE-OD1 3.21Å; R770-N774 PolarHBondContact NH2-OD1 2.97Å; R770-N774 VanDerWaalsContact NH2-OD1 3.11Å; R770-N774 WeakPolarHBondContact O-CB 3.4Å; R770-N774 PolarHBondContact O-N 3.31Å; R770-N774 PolarHBondContact O-ND2 3.13Å; R770-N774 PolarHBondContact O-OD1 3.01Å; R770-M812 HydrophobicContact CB-CE 4.26Å; R770-M812 HydrophobicContact CB-SD 4.05Å; R770-E813 HydrophobicContact CB-CB 4.16Å; R770-E813 WeakPolarHBondContact CB-O 3.4Å; R770-E813 WeakPolarHBondContact CD-OE2 3.3Å; R770-E813 HydrophobicContact CG-CB 4.47Å; R770-E813 IonicContact CZ-OE2 3.26Å; R770-E813 PolarHBondContact N-O 2.98Å; R770-E813 IonicContact NH1-OE2 3.5Å; R770-E813 PolarHBondContact NH1-OE2 2.9Å; R770-Y815 HydrophobicContact CB-CE2 4.23Å; R770-Y815 HydrophobicContact CG-CE2 4.39Å; R770-Y815 PolarHBondContact NH1-OH 3.28Å; R770-Y815 VanDerWaalsContact NH1-OH 3.09Å
771	S	92.2	Very high	86.7	Confident	29.6667 Å²	29.6667	63.2 Å²	63.2	21%	0.207	32%	0.315	C	S	.	.	H	α-helix	trans	-66.5	-41.3	176.8	53.8	0	0	0	0	111.4	H727 T728 S769 Q775 M812	H727-S771 PolarHBondContact CE1-OG 3Å; H727-S771 PolarHBondContact ND1-OG 3.41Å; T728-S771 WeakPolarHBondContact O-CB 3.38Å; T728-S771 PolarHBondContact O-OG 3.4Å; T728-S771 VanDerWaalsContact OG1-C 3.25Å; T728-S771 WeakPolarHBondContact OG1-CB 3.4Å; T728-S771 PolarHBondContact OG1-O 3.31Å; T728-S771 PolarHBondContact OG1-OG 3.04Å; S769-S771 VanDerWaalsContact C-N 3.26Å; S769-S771 PolarHBondContact O-N 3.34Å; S769-S771 PolarHBondContact OG-OG 2.97Å; S771-Q775 VanDerWaalsContact O-CG 3.31Å; S771-Q775 WeakPolarHBondContact O-CG 3.47Å; S771-M812 VanDerWaalsContact OG-CE 3.31Å; S771-M812 WeakPolarHBondContact OG-CE 3.34Å
772	T	93.8	Very high	86.9	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-51.7	171.4	-35.2	0	0	0	0	111.4	A695 I699 V726 H727 T728 T768 S769 N774 Q775 L776	A695-T772 HydrophobicContact CB-CG2 4.47Å; I699-T772 HydrophobicContact CD1-CG2 4.14Å; V726-T772 HydrophobicContact CB-CG2 4.37Å; V726-T772 HydrophobicContact CG1-CG2 3.75Å; V726-T772 PolarHBondContact O-OG1 3.2Å; H727-T772 VanDerWaalsContact CA-OG1 3.29Å; H727-T772 WeakPolarHBondContact CA-OG1 3.45Å; T728-T772 VanDerWaalsContact CG2-CA 3.47Å; T728-T772 HydrophobicContact CG2-CG2 3.77Å; T728-T772 PolarHBondContact N-OG1 3.43Å; T728-T772 PolarHBondContact OG1-N 3.05Å; T768-T772 HydrophobicContact CG2-CG2 4.4Å; S769-T772 PolarHBondContact N-OG1 2.99Å; S769-T772 WeakPolarHBondContact O-CA 3.28Å; S769-T772 VanDerWaalsContact O-CB 3.3Å; S769-T772 WeakPolarHBondContact O-CB 3.29Å; S769-T772 PolarHBondContact O-N 3.27Å; S769-T772 VanDerWaalsContact O-N 3.08Å; S769-T772 PolarHBondContact O-OG1 3.09Å; S769-T772 PolarHBondContact OG-N 3.25Å; S769-T772 PolarHBondContact OG-OG1 3.02Å; T772-N774 VanDerWaalsContact C-N 3.29Å; T772-N774 PolarHBondContact O-N 3.03Å; T772-Q775 WeakPolarHBondContact O-CA 3.27Å; T772-Q775 WeakPolarHBondContact O-CB 3.36Å; T772-Q775 PolarHBondContact O-N 2.97Å; T772-L776 WeakPolarHBondContact O-CG 3.32Å; T772-L776 PolarHBondContact O-N 3.39Å
773	F	92.8	Very high	87.5	Confident	50 Å²	50	56.6 Å²	56.6	22%	0.219	30%	0.301	C	S	.	.	H	α-helix	trans	-63	-37.2	-173	-168.8	-101.4	0	0	0	112.1	S769 R770 Q775 L776 Y815 V817	S769-F773 PolarHBondContact O-N 3.11Å; R770-F773 PolarHBondContact O-N 3.06Å; F773-Q775 PolarHBondContact O-N 3.23Å; F773-L776 HydrophobicContact CD2-CD1 4.01Å; F773-L776 HydrophobicContact CE2-CD1 4.45Å; F773-L776 PolarHBondContact O-N 3.31Å; F773-Y815 HydrophobicContact CB-CD2 3.98Å; F773-Y815 HydrophobicContact CB-CG 4.35Å; F773-Y815 HydrophobicContact CD1-CD1 4.48Å; F773-Y815 HydrophobicContact CD1-CD2 4.34Å; F773-Y815 HydrophobicContact CD1-CG 4.28Å; F773-Y815 HydrophobicContact CD2-CG 4.25Å; F773-Y815 AromaticContact CG-CD2 3.96Å; F773-Y815 HydrophobicContact CG-CD2 4.09Å; F773-Y815 AromaticContact CG-CG 3.96Å; F773-Y815 HydrophobicContact CG-CG 4.02Å; F773-V817 HydrophobicContact CD2-CG2 4.07Å; F773-V817 HydrophobicContact CE2-CG2 4.31Å
774	N	91.7	Very high	88.2	Confident	102 Å²	102	56.5 Å²	56.5	55%	0.545	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.2	173.5	-72.1	-9.6	0	0	0	114.3	R770 T772	R770-N774 PolarHBondContact NE-OD1 3.21Å; R770-N774 PolarHBondContact NH2-OD1 2.97Å; R770-N774 VanDerWaalsContact NH2-OD1 3.11Å; R770-N774 WeakPolarHBondContact O-CB 3.4Å; R770-N774 PolarHBondContact O-N 3.31Å; R770-N774 PolarHBondContact O-ND2 3.13Å; R770-N774 PolarHBondContact O-OD1 3.01Å; T772-N774 VanDerWaalsContact C-N 3.29Å; T772-N774 PolarHBondContact O-N 3.03Å
775	Q	91.2	Very high	88.8	Confident	70 Å²	70	53.6 Å²	53.6	33%	0.327	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	2.2	-179	-69.8	176.7	-23.7	0	0	113.2	N614 A695 T728 S771 T772 F773	N614-Q775 PolarHBondContact OD1-NE2 3.1Å; A695-Q775 HydrophobicContact CB-CB 3.75Å; T728-Q775 VanDerWaalsContact CB-OE1 3.23Å; T728-Q775 VanDerWaalsContact CG2-OE1 3.32Å; T728-Q775 PolarHBondContact OG1-OE1 3.11Å; S771-Q775 VanDerWaalsContact O-CG 3.31Å; S771-Q775 WeakPolarHBondContact O-CG 3.47Å; T772-Q775 WeakPolarHBondContact O-CA 3.27Å; T772-Q775 WeakPolarHBondContact O-CB 3.36Å; T772-Q775 PolarHBondContact O-N 2.97Å; F773-Q775 PolarHBondContact O-N 3.23Å
776	L	90.3	Very high	88.7	Confident	24.3333 Å²	24.3333	52.5 Å²	52.5	13%	0.127	29%	0.292	C	S	.	.	S	Bend	trans	-85.2	144.1	177.6	-55.1	-179.1	0	0	0	111	A695 I699 T772 F773 F780 V817	A695-L776 HydrophobicContact CB-CD2 4.06Å; I699-L776 HydrophobicContact CD1-CD1 3.44Å; I699-L776 VanDerWaalsContact CD1-CD1 3.44Å; I699-L776 HydrophobicContact CD1-CD2 3.51Å; I699-L776 VanDerWaalsContact CD1-CD2 3.48Å; I699-L776 HydrophobicContact CD1-CG 4.07Å; I699-L776 HydrophobicContact CG1-CD2 4.41Å; T772-L776 WeakPolarHBondContact O-CG 3.32Å; T772-L776 PolarHBondContact O-N 3.39Å; F773-L776 HydrophobicContact CD2-CD1 4.01Å; F773-L776 HydrophobicContact CE2-CD1 4.45Å; F773-L776 PolarHBondContact O-N 3.31Å; L776-F780 HydrophobicContact CB-CB 4.43Å; L776-F780 HydrophobicContact CB-CD2 3.98Å; L776-F780 HydrophobicContact CB-CG 4.43Å; L776-F780 HydrophobicContact CD1-CB 4.1Å; L776-F780 HydrophobicContact CD1-CD2 4.41Å; L776-F780 HydrophobicContact CD1-CG 4.28Å; L776-V817 HydrophobicContact CD1-CG2 4.14Å
777	P	84.8	Confident	88.2	Confident	63.6667 Å²	63.6667	58.4 Å²	58.4	41%	0.413	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-67	155.3	171.8	30.1	-35.6	0	0	0	111.2	G779 F780	P777-G779 PolarHBondContact O-N 3.34Å; P777-F780 HydrophobicContact CG-CD2 4.02Å; P777-F780 HydrophobicContact CG-CE2 3.84Å
778	E	75.2	Confident	87.6	Confident	205.667 Å²	205.667	60.9 Å²	60.9	96%	0.961	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	131.6	174.8	-62.3	-176.3	177.2	0	0	111.1
779	G	76.7	Confident	86.8	Confident	58.6667 Å²	58.6667	63 Å²	63	61%	0.605	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	123.3	-25.1	-178.3	0	0	0	0	0	114.5	P777	P777-G779 PolarHBondContact O-N 3.34Å
780	F	82.8	Confident	85.8	Confident	22.6667 Å²	22.6667	65.7 Å²	65.7	10%	0.099	37%	0.365	C	S	.	.			trans	-72.9	129.8	168.6	-73.9	-78.6	0	0	0	110.8	R696 I699 D700 L703 L776 P777 V817 R820	R696-F780 HydrophobicContact CG-CE2 4.09Å; R696-F780 HydrophobicContact CG-CZ 4.12Å; I699-F780 HydrophobicContact CG2-CD1 4.37Å; I699-F780 HydrophobicContact CG2-CE1 3.93Å; I699-F780 HydrophobicContact CG2-CZ 4.35Å; D700-F780 VanDerWaalsContact OD1-CZ 3.28Å; D700-F780 WeakPolarHBondContact OD1-CZ 3.38Å; L703-F780 HydrophobicContact CD1-CE1 4.39Å; L776-F780 HydrophobicContact CB-CB 4.43Å; L776-F780 HydrophobicContact CB-CD2 3.98Å; L776-F780 HydrophobicContact CB-CG 4.43Å; L776-F780 HydrophobicContact CD1-CB 4.1Å; L776-F780 HydrophobicContact CD1-CD2 4.41Å; L776-F780 HydrophobicContact CD1-CG 4.28Å; P777-F780 HydrophobicContact CG-CD2 4.02Å; P777-F780 HydrophobicContact CG-CE2 3.84Å; F780-V817 HydrophobicContact CB-CG1 4.42Å; F780-V817 HydrophobicContact CD1-CG1 3.88Å; F780-R820 HydrophobicContact CD1-CG 4.29Å; F780-R820 HydrophobicContact CE1-CG 4.11Å; F780-R820 VanDerWaalsContact CE2-NH2 3.28Å
781	R	84.7	Confident	84.5	Confident	164.667 Å²	164.667	62.3 Å²	62.3	62%	0.621	36%	0.356	S	S	*	.			trans	-99.3	126.9	176.6	-66.6	-176.8	177.7	-173.1	-0.7	110.2	V817 Q818	R781-V817 WeakPolarHBondContact O-CA 3.4Å; R781-Q818 HydrophobicContact CB-CB 4.37Å; R781-Q818 HydrophobicContact CB-CG 4.45Å; R781-Q818 PolarHBondContact O-N 3.33Å
782	G	85.7	Confident	82.6	Confident	31 Å²	31	65 Å²	65	32%	0.32	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.2	175.3	0	0	0	0	0	111.8	F816	G782-F816 WeakPolarHBondContact CA-O 3.45Å
783	E	89.8	Confident	80.5	Confident	50.3333 Å²	50.3333	68.4 Å²	68.4	24%	0.235	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	144.3	163.5	-61.1	167.9	-141.1	0	0	108.9	R762 R765 G785 Y815 F816 Q818	R762-E783 IonicContact CZ-OE2 3.15Å; R762-E783 IonicContact NH1-OE2 3.29Å; R762-E783 PolarHBondContact NH1-OE2 3.23Å; R765-E783 IonicContact CZ-OE1 3.07Å; R765-E783 VanDerWaalsContact CZ-OE1 3.31Å; R765-E783 IonicContact NE-OE1 3.16Å; R765-E783 PolarHBondContact NE-OE1 3.07Å; R765-E783 IonicContact NE-OE2 3.29Å; R765-E783 IonicContact NH2-OE1 3.57Å; R765-E783 PolarHBondContact NH2-OE1 3.13Å; E783-G785 PolarHBondContact O-N 3.39Å; E783-Y815 CarbonylContact O-C 3.55Å; E783-Y815 WeakPolarHBondContact O-CA 3.39Å; E783-F816 HydrophobicContact CB-CB 4.31Å; E783-F816 PolarHBondContact N-O 3.31Å; E783-F816 PolarHBondContact O-N 3.37Å; E783-Q818 HydrophobicContact CG-CG 4.33Å; E783-Q818 PolarHBondContact OE1-NE2 3.19Å
784	A	89.3	Confident	78	Confident	78.6667 Å²	78.6667	73.8 Å²	73.8	65%	0.65	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	128.3	175.9	0	0	0	0	0	111.4
785	G	87.3	Confident	75.5	Confident	18 Å²	18	75.5 Å²	75.5	19%	0.186	43%	0.427	C	S	.	.			trans	-98.4	179.9	177.9	0	0	0	0	0	113.2	E783 I787 T814	E783-G785 PolarHBondContact O-N 3.39Å; G785-I787 PolarHBondContact O-N 3.01Å; G785-T814 VanDerWaalsContact C-OG1 3.22Å; G785-T814 WeakPolarHBondContact CA-O 3.36Å; G785-T814 WeakPolarHBondContact CA-OG1 3.25Å; G785-T814 PolarHBondContact N-O 3.2Å
786	P	87.2	Confident	73.3	Confident	41 Å²	41	78.7 Å²	78.7	27%	0.266	45%	0.445	S	S	.	.			trans	-65.2	133.5	177.1	27.9	-34.7	0	0	0	111.4	A759 Y761 L767 F788 T814	A759-P786 HydrophobicContact CB-CG 3.88Å; Y761-P786 HydrophobicContact CE1-CG 4.42Å; L767-P786 HydrophobicContact CD2-CG 4.42Å; P786-F788 PolarHBondContact O-N 3.23Å; P786-T814 WeakPolarHBondContact O-CG2 3.37Å; P786-T814 PolarHBondContact O-OG1 3.12Å
787	I	82.1	Confident	70.8	Confident	123.667 Å²	123.667	82.3 Å²	82.3	63%	0.634	47%	0.47	S	S	*	.			trans	-65.8	118.6	174	-60	172.9	0	0	0	108.4	G785 T811	G785-I787 PolarHBondContact O-N 3.01Å; I787-T811 VanDerWaalsContact CG2-CB 3.5Å; I787-T811 HydrophobicContact CG2-CG2 3.84Å
788	F	81.6	Confident	68.7	Low	52.6667 Å²	52.6667	84.2 Å²	84.2	23%	0.231	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.1	-175.8	-155.7	-100.7	0	0	0	111.4	Y752 R755 L756 A759 P786 Y790 M812 T814	Y752-F788 HydrophobicContact CD2-CD1 4.15Å; Y752-F788 HydrophobicContact CE2-CB 4.44Å; Y752-F788 AromaticContact CE2-CD1 3.68Å; Y752-F788 HydrophobicContact CE2-CD1 3.68Å; R755-F788 HydrophobicContact CB-CE1 3.84Å; R755-F788 HydrophobicContact CB-CZ 3.94Å; L756-F788 HydrophobicContact CD1-CB 4.38Å; L756-F788 HydrophobicContact CD1-CG 4.46Å; A759-F788 HydrophobicContact CB-CD2 3.85Å; A759-F788 HydrophobicContact CB-CE2 4.02Å; P786-F788 PolarHBondContact O-N 3.23Å; F788-Y790 PolarHBondContact O-N 3.12Å; F788-M812 PolarHBondContact N-O 3.13Å; F788-M812 VanDerWaalsContact N-O 3.13Å; F788-M812 PolarHBondContact O-N 3.13Å; F788-T814 HydrophobicContact CB-CG2 4.17Å
789	G	76.6	Confident	67.3	Low	44.3333 Å²	44.3333	81 Å²	81	46%	0.457	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	120.3	177.1	0	0	0	0	0	111
790	Y	74.5	Confident	65.9	Low	55.6667 Å²	55.6667	87 Å²	87	22%	0.218	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-70.6	137.9	169.8	-169.5	-89.1	0	0	0	109.4	D748 D749 Y752 F788 N792 K810 M812	D748-Y790 HydrophobicContact CB-CE1 4.34Å; D748-Y790 WeakPolarHBondContact CB-OH 3.48Å; D749-Y790 VanDerWaalsContact OD1-CE2 3.3Å; D749-Y790 WeakPolarHBondContact OD1-CE2 3.36Å; D749-Y790 PolarHBondContact OD1-OH 3.02Å; Y752-Y790 HydrophobicContact CD1-CD2 4.42Å; Y752-Y790 AromaticContact CD2-CD2 3.63Å; Y752-Y790 HydrophobicContact CD2-CD2 3.63Å; Y752-Y790 HydrophobicContact CD2-CE2 4.33Å; Y752-Y790 HydrophobicContact CD2-CG 4.3Å; Y752-Y790 AromaticContact CE2-CD2 3.96Å; Y752-Y790 HydrophobicContact CE2-CD2 4Å; Y752-Y790 AromaticContact CG-CD2 3.91Å; Y752-Y790 HydrophobicContact CG-CD2 3.91Å; Y752-Y790 HydrophobicContact CG-CE2 4.16Å; F788-Y790 PolarHBondContact O-N 3.12Å; Y790-N792 PolarHBondContact O-N 3.3Å; Y790-N792 VanDerWaalsContact O-N 3.14Å; Y790-K810 VanDerWaalsContact CB-O 3.25Å; Y790-K810 WeakPolarHBondContact CB-O 3.34Å; Y790-K810 PolarHBondContact N-O 3.36Å; Y790-M812 HydrophobicContact CD2-SD 4.41Å
791	P	64.4	Low	63.8	Low	22.3333 Å²	22.3333	90.3 Å²	90.3	15%	0.145	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-63.4	116.4	174.5	26.5	-33.4	0	0	0	109.7	D748	D748-P791 HydrophobicContact CB-CG 4.45Å
792	N	52	Low	61.8	Low	86 Å²	86	88.6 Å²	88.6	46%	0.46	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-60.3	131.6	167.4	-75.3	-7.5	0	0	0	108.2	Y790 I794	Y790-N792 PolarHBondContact O-N 3.3Å; Y790-N792 VanDerWaalsContact O-N 3.14Å; N792-I794 PolarHBondContact O-N 3.15Å
793	P	49.7	Very low	59.5	Low	71 Å²	71	97.1 Å²	97.1	46%	0.461	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-58	141.2	169.3	25.6	-33.9	0	0	0	108.8	I795	P793-I795 VanDerWaalsContact C-N 3.27Å; P793-I795 PolarHBondContact O-N 3.38Å
794	I	40.8	Very low	57.2	Low	164.333 Å²	164.333	98.4 Å²	98.4	84%	0.843	55%	0.552	S	S	*	*			trans	-73.7	86	179.7	-56.5	175.1	0	0	0	108.1	N792 I796	N792-I794 PolarHBondContact O-N 3.15Å; I794-I796 PolarHBondContact O-N 3.35Å; I794-I796 VanDerWaalsContact O-N 3.16Å
795	I	39.3	Very low	54.7	Low	137 Å²	137	102 Å²	102	70%	0.703	56%	0.561	S	S	*	*			trans	-66.4	107.3	167.6	-59.2	174.6	0	0	0	106.4	P793 P797	P793-I795 VanDerWaalsContact C-N 3.27Å; P793-I795 PolarHBondContact O-N 3.38Å; I795-P797 WeakPolarHBondContact O-CD 3.43Å
796	I	43.5	Very low	52.5	Low	138 Å²	138	108.6 Å²	108.6	71%	0.708	59%	0.586	S	S	*	*			trans	-58	123.3	168.5	-58.3	173.1	0	0	0	106.5	I794 T798	I794-I796 PolarHBondContact O-N 3.35Å; I794-I796 VanDerWaalsContact O-N 3.16Å; I796-T798 PolarHBondContact O-N 3.14Å
797	P	38	Very low	50.3	Low	100 Å²	100	114.7 Å²	114.7	65%	0.649	61%	0.611	S	S	*	*			trans	-67.1	106.3	-176.7	26.3	-33.4	0	0	0	109.7	I795 N799	I795-P797 WeakPolarHBondContact O-CD 3.43Å; P797-N799 PolarHBondContact O-N 3.3Å
798	T	40.6	Very low	48.6	Very low	101.667 Å²	101.667	115.2 Å²	115.2	62%	0.624	62%	0.615	S	S	*	*			trans	-73.9	131.4	159.8	47.1	0	0	0	0	107.6	I796 E800 S801	I796-T798 PolarHBondContact O-N 3.14Å; T798-E800 PolarHBondContact O-N 3.31Å; T798-S801 PolarHBondContact O-N 3.01Å; T798-S801 PolarHBondContact O-OG 3.29Å
799	N	45.9	Very low	47.2	Very low	139.667 Å²	139.667	120.1 Å²	120.1	75%	0.747	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	7.6	-166.4	-77.6	-15.8	0	0	0	115.8	P797 Y1140	P797-N799 PolarHBondContact O-N 3.3Å; N799-Y1140 PolarHBondContact ND2-OH 3.46Å
800	E	47.3	Very low	46.6	Very low	184.333 Å²	184.333	125.5 Å²	125.5	86%	0.861	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	12	-177.6	-60.4	-173.5	147.2	0	0	112.5	T798 I802	T798-E800 PolarHBondContact O-N 3.31Å; E800-I802 PolarHBondContact O-N 3.19Å
801	S	39.7	Very low	46.6	Very low	93 Å²	93	127.2 Å²	127.2	65%	0.65	66%	0.664	S	S	*	*			trans	-87	50.7	178.5	67.9	0	0	0	0	115.4	T798 K803	T798-S801 PolarHBondContact O-N 3.01Å; T798-S801 PolarHBondContact O-OG 3.29Å; S801-K803 VanDerWaalsContact C-N 3.26Å; S801-K803 PolarHBondContact O-N 3.08Å
802	I	42.7	Very low	47.4	Very low	127.75 Å²	127.75	128 Å²	128	66%	0.655	67%	0.666	S	S	*	*			trans	-83.3	62.9	173.8	-56.5	170.5	0	0	0	112.4	E800 S804	E800-I802 PolarHBondContact O-N 3.19Å; I802-S804 VanDerWaalsContact CG2-N 3.26Å; I802-S804 WeakPolarHBondContact CG2-OG 3.39Å; I802-S804 PolarHBondContact O-N 3.12Å
803	K	37.7	Very low	49.1	Very low	209.75 Å²	209.75	128.6 Å²	128.6	91%	0.912	67%	0.666	S	S	*	*			trans	-98.7	42.5	165.6	-71.1	-175.9	176.4	176.7	0	113.7	S801 N805	S801-K803 VanDerWaalsContact C-N 3.26Å; S801-K803 PolarHBondContact O-N 3.08Å; K803-N805 PolarHBondContact O-N 3.37Å
804	S	40.5	Very low	51.1	Low	76.75 Å²	76.75	125.3 Å²	125.3	54%	0.537	64%	0.644	S	S	.	*			trans	-119.5	101.7	170.4	64	0	0	0	0	111	I802 H806	I802-S804 VanDerWaalsContact CG2-N 3.26Å; I802-S804 WeakPolarHBondContact CG2-OG 3.39Å; I802-S804 PolarHBondContact O-N 3.12Å; S804-H806 PolarHBondContact O-N 3.11Å; S804-H806 PolarHBondContact OG-ND1 3.09Å
805	N	37.6	Very low	53.5	Low	155.75 Å²	155.75	119 Å²	119	83%	0.833	61%	0.61	S	S	*	*			trans	-56.2	45	166.4	-72.9	-8.7	0	0	0	115	K803 H807	K803-N805 PolarHBondContact O-N 3.37Å; N805-H807 PolarHBondContact O-N 2.86Å
806	H	39.8	Very low	56	Low	155 Å²	155	112.5 Å²	112.5	72%	0.718	58%	0.577	S	S	*	*			trans	-124.3	58.2	172.4	-85.2	10.4	0	0	0	111.1	S804 N808 K809	S804-H806 PolarHBondContact O-N 3.11Å; S804-H806 PolarHBondContact OG-ND1 3.09Å; H806-N808 PolarHBondContact O-N 3.19Å; H806-K809 PolarHBondContact O-N 3.07Å
807	H	41.3	Very low	58.3	Low	170.25 Å²	170.25	105.9 Å²	105.9	79%	0.788	54%	0.543	S	S	*	.			trans	-71.4	51.7	166.7	-81.3	-54.4	0	0	0	112.1	N805 K809	N805-H807 PolarHBondContact O-N 2.86Å; H807-K809 PolarHBondContact O-N 3.21Å
808	N	47.3	Very low	60.3	Low	134.25 Å²	134.25	103.6 Å²	103.6	72%	0.718	52%	0.524	S	S	*	.			trans	-77.4	82.5	169	-74.1	-6.2	0	0	0	109.6	H806 K810	H806-N808 PolarHBondContact O-N 3.19Å; N808-K810 PolarHBondContact O-N 3.06Å; N808-K810 VanDerWaalsContact O-N 3.12Å
809	K	52.4	Low	61.9	Low	154.5 Å²	154.5	102.3 Å²	102.3	67%	0.672	52%	0.516	S	S	*	.			trans	-63	115.8	171.7	-84.4	177.4	179.7	175.7	0	107.9	H806 H807 T811	H806-K809 PolarHBondContact O-N 3.07Å; H807-K809 PolarHBondContact O-N 3.21Å; K809-T811 VanDerWaalsContact C-N 3.28Å; K809-T811 PolarHBondContact O-N 3Å; K809-T811 VanDerWaalsContact O-N 3.08Å
810	K	63.3	Low	62.9	Low	159.5 Å²	159.5	101.6 Å²	101.6	69%	0.693	50%	0.503	S	S	*	.			trans	-66.8	99.6	175.8	-76.5	-175.3	176.6	179.7	0	108.7	Y790 N808	Y790-K810 VanDerWaalsContact CB-O 3.25Å; Y790-K810 WeakPolarHBondContact CB-O 3.34Å; Y790-K810 PolarHBondContact N-O 3.36Å; N808-K810 PolarHBondContact O-N 3.06Å; N808-K810 VanDerWaalsContact O-N 3.12Å
811	T	74.6	Confident	63.4	Low	91 Å²	91	98 Å²	98	56%	0.558	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	136.2	167.7	47.1	0	0	0	0	109.1	I787 K809	I787-T811 VanDerWaalsContact CG2-CB 3.5Å; I787-T811 HydrophobicContact CG2-CG2 3.84Å; K809-T811 VanDerWaalsContact C-N 3.28Å; K809-T811 PolarHBondContact O-N 3Å; K809-T811 VanDerWaalsContact O-N 3.08Å
812	M	81.1	Confident	63.9	Low	39.5 Å²	39.5	101.6 Å²	101.6	20%	0.195	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.2	176.4	-172.2	120.5	165.2	0	0	108.9	Y752 R770 S771 F788 Y790	Y752-M812 HydrophobicContact CE1-SD 3.91Å; Y752-M812 HydrophobicContact CE2-CB 4.33Å; Y752-M812 WeakPolarHBondContact OH-CB 3.38Å; Y752-M812 VanDerWaalsContact OH-CG 3.31Å; Y752-M812 WeakPolarHBondContact OH-CG 3.46Å; R770-M812 HydrophobicContact CB-CE 4.26Å; R770-M812 HydrophobicContact CB-SD 4.05Å; S771-M812 VanDerWaalsContact OG-CE 3.31Å; S771-M812 WeakPolarHBondContact OG-CE 3.34Å; F788-M812 PolarHBondContact N-O 3.13Å; F788-M812 VanDerWaalsContact N-O 3.13Å; F788-M812 PolarHBondContact O-N 3.13Å; Y790-M812 HydrophobicContact CD2-SD 4.41Å
813	E	87.4	Confident	63.6	Low	96.75 Å²	96.75	100.6 Å²	100.6	45%	0.452	51%	0.505	S	S	.	.			trans	-67.7	147.3	172.9	-62.5	176.7	166.3	0	0	110.3	R770 Y815	R770-E813 HydrophobicContact CB-CB 4.16Å; R770-E813 WeakPolarHBondContact CB-O 3.4Å; R770-E813 WeakPolarHBondContact CD-OE2 3.3Å; R770-E813 HydrophobicContact CG-CB 4.47Å; R770-E813 IonicContact CZ-OE2 3.26Å; R770-E813 PolarHBondContact N-O 2.98Å; R770-E813 IonicContact NH1-OE2 3.5Å; R770-E813 PolarHBondContact NH1-OE2 2.9Å; E813-Y815 HydrophobicContact CB-CE2 3.97Å; E813-Y815 PolarHBondContact OE2-OH 3Å
814	T	91.6	Very high	63.3	Low	2.75 Å²	2.75	95.6 Å²	95.6	2%	0.017	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	155.8	179.7	73	0	0	0	0	110.1	L756 T768 G785 P786 F788	L756-T814 HydrophobicContact CD1-CG2 3.63Å; T768-T814 CarbonylContact O-C 3.35Å; T768-T814 WeakPolarHBondContact O-CA 3.47Å; T768-T814 WeakPolarHBondContact O-CB 3.35Å; G785-T814 VanDerWaalsContact C-OG1 3.22Å; G785-T814 WeakPolarHBondContact CA-O 3.36Å; G785-T814 WeakPolarHBondContact CA-OG1 3.25Å; G785-T814 PolarHBondContact N-O 3.2Å; P786-T814 WeakPolarHBondContact O-CG2 3.37Å; P786-T814 PolarHBondContact O-OG1 3.12Å; F788-T814 HydrophobicContact CB-CG2 4.17Å
815	Y	92.4	Very high	63	Low	32.5 Å²	32.5	99.3 Å²	99.3	13%	0.127	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	129.6	-176.2	-61	-91.2	0	0	0	110.8	T768 R770 F773 E783 E813 V817	T768-Y815 PolarHBondContact N-O 2.85Å; T768-Y815 PolarHBondContact O-N 3.16Å; T768-Y815 PolarHBondContact OG1-O 2.93Å; R770-Y815 HydrophobicContact CB-CE2 4.23Å; R770-Y815 HydrophobicContact CG-CE2 4.39Å; R770-Y815 PolarHBondContact NH1-OH 3.28Å; R770-Y815 VanDerWaalsContact NH1-OH 3.09Å; F773-Y815 HydrophobicContact CB-CD2 3.98Å; F773-Y815 HydrophobicContact CB-CG 4.35Å; F773-Y815 HydrophobicContact CD1-CD1 4.48Å; F773-Y815 HydrophobicContact CD1-CD2 4.34Å; F773-Y815 HydrophobicContact CD1-CG 4.28Å; F773-Y815 HydrophobicContact CD2-CG 4.25Å; F773-Y815 AromaticContact CG-CD2 3.96Å; F773-Y815 HydrophobicContact CG-CD2 4.09Å; F773-Y815 AromaticContact CG-CG 3.96Å; F773-Y815 HydrophobicContact CG-CG 4.02Å; E783-Y815 CarbonylContact O-C 3.55Å; E783-Y815 WeakPolarHBondContact O-CA 3.39Å; E813-Y815 HydrophobicContact CB-CE2 3.97Å; E813-Y815 PolarHBondContact OE2-OH 3Å; Y815-V817 PolarHBondContact O-N 3.08Å
816	F	92.1	Very high	62.9	Low	0 Å²	0	99.4 Å²	99.4	0%	0	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	111.3	169	-70.7	-74.4	0	0	0	109.2	Y761 R762 R765 V766 L767 G782 E783	Y761-F816 HydrophobicContact CD1-CZ 4.2Å; Y761-F816 HydrophobicContact CE1-CE2 4.19Å; Y761-F816 AromaticContact CE1-CZ 3.9Å; Y761-F816 HydrophobicContact CE1-CZ 3.94Å; R762-F816 HydrophobicContact CB-CD1 4.3Å; R762-F816 HydrophobicContact CB-CE1 3.91Å; R762-F816 HydrophobicContact CB-CZ 4.15Å; R762-F816 HydrophobicContact CG-CD1 4.34Å; R762-F816 HydrophobicContact CG-CD2 4.32Å; R762-F816 HydrophobicContact CG-CE1 4.1Å; R762-F816 HydrophobicContact CG-CE2 4.07Å; R762-F816 HydrophobicContact CG-CZ 3.81Å; R765-F816 HydrophobicContact CB-CB 4.17Å; R765-F816 HydrophobicContact CB-CD1 3.79Å; R765-F816 HydrophobicContact CB-CG 4.35Å; R765-F816 HydrophobicContact CG-CB 4.34Å; V766-F816 WeakPolarHBondContact O-CA 3.36Å; L767-F816 HydrophobicContact CB-CD1 4.1Å; L767-F816 HydrophobicContact CB-CE1 3.96Å; L767-F816 HydrophobicContact CD1-CD1 3.9Å; L767-F816 HydrophobicContact CD1-CD2 4.34Å; L767-F816 HydrophobicContact CD1-CE1 3.83Å; L767-F816 HydrophobicContact CD1-CE2 4.27Å; L767-F816 HydrophobicContact CD1-CG 4.17Å; L767-F816 HydrophobicContact CD1-CZ 4.02Å; L767-F816 HydrophobicContact CD2-CE1 4.39Å; L767-F816 HydrophobicContact CG-CE1 4.29Å; G782-F816 WeakPolarHBondContact CA-O 3.45Å; E783-F816 HydrophobicContact CB-CB 4.31Å; E783-F816 PolarHBondContact N-O 3.31Å; E783-F816 PolarHBondContact O-N 3.37Å
817	V	90.5	Very high	62.6	Low	0 Å²	0	97.5 Å²	97.5	0%	0	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	131.9	178.7	175.9	0	0	0	0	110.2	I699 R765 V766 T768 F773 L776 F780 R781 Y815	I699-V817 HydrophobicContact CD1-CG2 4.21Å; I699-V817 HydrophobicContact CG2-CG1 4.05Å; R765-V817 WeakPolarHBondContact CD-O 3.07Å; V766-V817 PolarHBondContact N-O 3.33Å; V766-V817 PolarHBondContact O-N 3.25Å; T768-V817 HydrophobicContact CG2-CB 4.27Å; T768-V817 HydrophobicContact CG2-CG2 3.58Å; F773-V817 HydrophobicContact CD2-CG2 4.07Å; F773-V817 HydrophobicContact CE2-CG2 4.31Å; L776-V817 HydrophobicContact CD1-CG2 4.14Å; F780-V817 HydrophobicContact CB-CG1 4.42Å; F780-V817 HydrophobicContact CD1-CG1 3.88Å; R781-V817 WeakPolarHBondContact O-CA 3.4Å; Y815-V817 PolarHBondContact O-N 3.08Å
818	Q	80.5	Confident	62	Low	51.75 Å²	51.75	96.4 Å²	96.4	24%	0.242	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-87.6	152.1	174.8	-63	-172.9	-8.9	0	0	111.2	R781 E783	R781-Q818 HydrophobicContact CB-CB 4.37Å; R781-Q818 HydrophobicContact CB-CG 4.45Å; R781-Q818 PolarHBondContact O-N 3.33Å; E783-Q818 HydrophobicContact CG-CG 4.33Å; E783-Q818 PolarHBondContact OE1-NE2 3.19Å
819	P	73.1	Confident	61.4	Low	72.5 Å²	72.5	96 Å²	96	47%	0.471	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-58.2	150.4	165.8	16.1	-19.9	0	0	0	111.1	L703 T821	L703-P819 HydrophobicContact CD2-CB 4.27Å; P819-T821 PolarHBondContact O-N 3.14Å
820	R	68.8	Low	60.4	Low	125.5 Å²	125.5	96 Å²	96	47%	0.474	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-65.8	122.9	175.2	-85.3	-178.8	-174.3	172	5.7	109.9	R696 D700 F780 E822	R696-R820 VanDerWaalsContact NE-NH2 3.18Å; D700-R820 IonicContact OD1-CZ 2.86Å; D700-R820 IonicContact OD1-NH2 2.8Å; D700-R820 PolarHBondContact OD1-NH2 2.77Å; D700-R820 IonicContact OD2-CZ 3.86Å; D700-R820 IonicContact OD2-NH2 2.8Å; D700-R820 PolarHBondContact OD2-NH2 3.42Å; D700-R820 VanDerWaalsContact OD2-NH2 3.1Å; F780-R820 HydrophobicContact CD1-CG 4.29Å; F780-R820 HydrophobicContact CE1-CG 4.11Å; F780-R820 VanDerWaalsContact CE2-NH2 3.28Å; R820-E822 HydrophobicContact CG-CG 4.27Å; R820-E822 IonicContact CZ-OE1 2.99Å; R820-E822 IonicContact NH1-OE1 3.95Å; R820-E822 PolarHBondContact NH1-OE1 2.75Å; R820-E822 PolarHBondContact O-N 3.27Å
821	T	57.6	Low	58.8	Low	109.75 Å²	109.75	94.7 Å²	94.7	67%	0.673	52%	0.518	S	S	*	.			trans	-75.5	105.5	161.6	37.7	0	0	0	0	108	P819 S823	P819-T821 PolarHBondContact O-N 3.14Å; T821-S823 PolarHBondContact O-N 3.26Å
822	E	49.2	Very low	56.8	Low	168.75 Å²	168.75	95.4 Å²	95.4	79%	0.789	52%	0.524	S	S	*	.			trans	-61.6	129.9	171.3	-65.1	-171.1	164.5	0	0	109.1	R820 S824	R820-E822 HydrophobicContact CG-CG 4.27Å; R820-E822 IonicContact CZ-OE1 2.99Å; R820-E822 IonicContact NH1-OE1 3.95Å; R820-E822 PolarHBondContact NH1-OE1 2.75Å; R820-E822 PolarHBondContact O-N 3.27Å; E822-S824 PolarHBondContact O-N 3.07Å; E822-S824 VanDerWaalsContact O-N 3.08Å
823	S	37.3	Very low	54.8	Low	105.5 Å²	105.5	98.8 Å²	98.8	74%	0.738	54%	0.542	S	S	*	.			trans	-69.1	109.3	-179.8	52.2	0	0	0	0	109.8	T821 N825	T821-S823 PolarHBondContact O-N 3.26Å; S823-N825 VanDerWaalsContact C-N 3.35Å; S823-N825 PolarHBondContact O-N 3.06Å
824	S	31.5	Very low	52.3	Low	105.5 Å²	105.5	99.7 Å²	99.7	74%	0.738	55%	0.55	S	S	*	*	S	Bend	trans	-59.4	89.3	177.4	55.4	0	0	0	0	112.2	E822 I826	E822-S824 PolarHBondContact O-N 3.07Å; E822-S824 VanDerWaalsContact O-N 3.08Å; S824-I826 VanDerWaalsContact C-N 3.3Å
825	N	33.2	Very low	49.7	Very low	153.25 Å²	153.25	104.2 Å²	104.2	82%	0.82	57%	0.574	S	S	*	*			trans	-129.5	14.5	168.4	-87.5	-9.5	0	0	0	113.5	S823	S823-N825 VanDerWaalsContact C-N 3.35Å; S823-N825 PolarHBondContact O-N 3.06Å
826	I	34.8	Very low	46.9	Very low	158 Å²	158	107.9 Å²	107.9	81%	0.81	60%	0.595	S	S	*	*	S	Bend	trans	-126	97.5	169.8	-54.6	178.9	0	0	0	107.9	S824 D828	S824-I826 VanDerWaalsContact C-N 3.3Å; I826-D828 PolarHBondContact O-N 3.4Å
827	V	33.7	Very low	44.2	Very low	115.5 Å²	115.5	110.4 Å²	110.4	70%	0.7	62%	0.621	S	S	*	*			trans	-87.8	117.3	175.7	177.3	0	0	0	0	109.7	T829	V827-T829 PolarHBondContact O-N 3.23Å; V827-T829 VanDerWaalsContact O-N 3.1Å
828	D	29.2	Very low	41.3	Very low	146.75 Å²	146.75	114 Å²	114	79%	0.785	64%	0.64	S	S	*	*	S	Bend	trans	32.9	76.8	165.5	-64	-26.4	0	0	0	116.9	I826	I826-D828 PolarHBondContact O-N 3.4Å
829	T	34.3	Very low	39.2	Very low	127.25 Å²	127.25	118.2 Å²	118.2	78%	0.781	66%	0.66	S	S	*	*	S	Bend	trans	-152.9	0.5	162	32.4	0	0	0	0	115.1	V827 N831	V827-T829 PolarHBondContact O-N 3.23Å; V827-T829 VanDerWaalsContact O-N 3.1Å; T829-N831 PolarHBondContact O-N 3.28Å
830	L	31.3	Very low	37.3	Very low	154.25 Å²	154.25	118.9 Å²	118.9	81%	0.808	67%	0.666	S	S	*	*			trans	-112.6	95.2	167.8	-79.6	151.6	0	0	0	108.9	P832	L830-P832 WeakPolarHBondContact O-CD 3.13Å
831	N	30.2	Very low	35.6	Very low	132 Å²	132	116.2 Å²	116.2	71%	0.706	67%	0.667	S	S	*	*			trans	-54.5	131	172.4	-70.3	6.3	0	0	0	108.9	T829 I833 D834	T829-N831 PolarHBondContact O-N 3.28Å; N831-I833 PolarHBondContact O-N 3.17Å; N831-D834 PolarHBondContact ND2-OD2 3.45Å
832	P	32.3	Very low	34.4	Very low	105.75 Å²	105.75	116 Å²	116	69%	0.687	66%	0.661	S	S	*	*			trans	-57.3	140.5	163.4	27.5	-32.9	0	0	0	107.6	L830 D834	L830-P832 WeakPolarHBondContact O-CD 3.13Å; P832-D834 VanDerWaalsContact C-N 3.31Å; P832-D834 WeakPolarHBondContact O-CA 3.33Å; P832-D834 PolarHBondContact O-N 3.2Å
833	I	39.2	Very low	33.6	Very low	110.25 Å²	110.25	112.8 Å²	112.8	57%	0.565	66%	0.657	S	S	*	*			trans	-61.3	115	170	-70.2	169.6	0	0	0	106.4	E711 N831 L835 L838	E711-I833 VanDerWaalsContact OE1-CD1 3.25Å; E711-I833 WeakPolarHBondContact OE1-CD1 3.5Å; N831-I833 PolarHBondContact O-N 3.17Å; I833-L835 VanDerWaalsContact C-N 3.31Å; I833-L835 HydrophobicContact CB-CD1 4.3Å; I833-L835 HydrophobicContact CG2-CB 4.26Å; I833-L835 HydrophobicContact CG2-CD1 3.91Å; I833-L835 VanDerWaalsContact O-CB 3.31Å; I833-L835 WeakPolarHBondContact O-CB 3.34Å; I833-L835 WeakPolarHBondContact O-CD1 3.26Å; I833-L835 PolarHBondContact O-N 2.96Å; I833-L838 HydrophobicContact CB-CD1 4.41Å; I833-L838 HydrophobicContact CG1-CD1 4.18Å; I833-L838 HydrophobicContact CG2-CD1 3.64Å
834	D	34.8	Very low	33.4	Very low	116.5 Å²	116.5	112.9 Å²	112.9	62%	0.623	66%	0.658	S	S	*	*			trans	-66.8	84.3	-176.8	-103.2	-39.6	0	0	0	109.9	N831 P832 N836 G837 L838	N831-D834 PolarHBondContact ND2-OD2 3.45Å; P832-D834 VanDerWaalsContact C-N 3.31Å; P832-D834 WeakPolarHBondContact O-CA 3.33Å; P832-D834 PolarHBondContact O-N 3.2Å; D834-N836 VanDerWaalsContact C-N 3.26Å; D834-N836 PolarHBondContact O-N 3.28Å; D834-N836 VanDerWaalsContact O-N 3.15Å; D834-N836 PolarHBondContact OD1-ND2 3.08Å; D834-G837 CarbonylContact O-C 3.47Å; D834-G837 WeakPolarHBondContact O-CA 3.37Å; D834-G837 PolarHBondContact O-N 2.7Å; D834-L838 PolarHBondContact O-N 3.07Å
835	L	36.5	Very low	33.4	Very low	97.25 Å²	97.25	112 Å²	112	51%	0.509	65%	0.652	S	S	.	*			trans	-83.4	-7.6	172	-99.9	91.8	0	0	0	111.2	I833 G837 L838 Q839	I833-L835 VanDerWaalsContact C-N 3.31Å; I833-L835 HydrophobicContact CB-CD1 4.3Å; I833-L835 HydrophobicContact CG2-CB 4.26Å; I833-L835 HydrophobicContact CG2-CD1 3.91Å; I833-L835 VanDerWaalsContact O-CB 3.31Å; I833-L835 WeakPolarHBondContact O-CB 3.34Å; I833-L835 WeakPolarHBondContact O-CD1 3.26Å; I833-L835 PolarHBondContact O-N 2.96Å; L835-G837 PolarHBondContact O-N 3.15Å; L835-G837 VanDerWaalsContact O-N 3.14Å; L835-L838 HydrophobicContact CD1-CD1 4.09Å; L835-L838 HydrophobicContact CD2-CB 3.83Å; L835-L838 HydrophobicContact CD2-CD1 3.46Å; L835-L838 VanDerWaalsContact CD2-CD1 3.46Å; L835-L838 HydrophobicContact CD2-CG 4.22Å; L835-L838 HydrophobicContact CG-CB 4.16Å; L835-L838 HydrophobicContact CG-CD1 3.67Å; L835-L838 HydrophobicContact CG-CG 4.35Å; L835-L838 WeakPolarHBondContact O-CA 3.46Å; L835-L838 WeakPolarHBondContact O-CB 3.5Å; L835-L838 PolarHBondContact O-N 3.11Å; L835-Q839 WeakPolarHBondContact O-CB 3.47Å; L835-Q839 PolarHBondContact O-N 2.82Å; L835-Q839 VanDerWaalsContact O-N 3.14Å
836	N	34	Very low	33.4	Very low	110 Å²	110	110 Å²	110	59%	0.588	65%	0.645	S	S	*	*	H	α-helix	trans	-62.6	-24	175.5	-63.9	-20.7	0	0	0	112.5	D834 L838 Q839 S840	D834-N836 VanDerWaalsContact C-N 3.26Å; D834-N836 PolarHBondContact O-N 3.28Å; D834-N836 VanDerWaalsContact O-N 3.15Å; D834-N836 PolarHBondContact OD1-ND2 3.08Å; N836-L838 VanDerWaalsContact C-N 3.3Å; N836-L838 PolarHBondContact O-N 3.27Å; N836-Q839 PolarHBondContact O-N 2.84Å; N836-S840 WeakPolarHBondContact O-CB 3.49Å; N836-S840 PolarHBondContact O-N 2.99Å; N836-S840 VanDerWaalsContact O-N 3.11Å; N836-S840 PolarHBondContact O-OG 3.31Å
837	G	35.6	Very low	33.5	Very low	52.75 Å²	52.75	105 Å²	105	54%	0.544	63%	0.627	S	S	.	*	H	α-helix	trans	-72.7	-17	173	0	0	0	0	0	114.8	D834 L835 S840 S841	D834-G837 CarbonylContact O-C 3.47Å; D834-G837 WeakPolarHBondContact O-CA 3.37Å; D834-G837 PolarHBondContact O-N 2.7Å; L835-G837 PolarHBondContact O-N 3.15Å; L835-G837 VanDerWaalsContact O-N 3.14Å; G837-S840 WeakPolarHBondContact CA-OG 3.46Å; G837-S840 PolarHBondContact O-OG 2.87Å; G837-S841 WeakPolarHBondContact O-CB 3.29Å; G837-S841 PolarHBondContact O-N 3.17Å; G837-S841 VanDerWaalsContact O-N 3.13Å; G837-S841 PolarHBondContact O-OG 2.85Å
838	L	30.9	Very low	33.9	Very low	75.5 Å²	75.5	105.2 Å²	105.2	40%	0.395	63%	0.625	S	S	.	*	H	α-helix	trans	-95.2	-27.9	172.5	-83	161.9	0	0	0	112.3	I833 D834 L835 N836 S840 S841 L842 L911 L914	I833-L838 HydrophobicContact CB-CD1 4.41Å; I833-L838 HydrophobicContact CG1-CD1 4.18Å; I833-L838 HydrophobicContact CG2-CD1 3.64Å; D834-L838 PolarHBondContact O-N 3.07Å; L835-L838 HydrophobicContact CD1-CD1 4.09Å; L835-L838 HydrophobicContact CD2-CB 3.83Å; L835-L838 HydrophobicContact CD2-CD1 3.46Å; L835-L838 VanDerWaalsContact CD2-CD1 3.46Å; L835-L838 HydrophobicContact CD2-CG 4.22Å; L835-L838 HydrophobicContact CG-CB 4.16Å; L835-L838 HydrophobicContact CG-CD1 3.67Å; L835-L838 HydrophobicContact CG-CG 4.35Å; L835-L838 WeakPolarHBondContact O-CA 3.46Å; L835-L838 WeakPolarHBondContact O-CB 3.5Å; L835-L838 PolarHBondContact O-N 3.11Å; N836-L838 VanDerWaalsContact C-N 3.3Å; N836-L838 PolarHBondContact O-N 3.27Å; L838-S840 PolarHBondContact O-N 3.3Å; L838-S840 VanDerWaalsContact O-N 3.12Å; L838-S841 PolarHBondContact O-N 3.23Å; L838-S841 PolarHBondContact O-OG 3.11Å; L838-L842 HydrophobicContact CB-CD1 4.39Å; L838-L842 HydrophobicContact CD2-CD1 3.61Å; L838-L842 VanDerWaalsContact O-CB 3.28Å; L838-L842 WeakPolarHBondContact O-CB 3.33Å; L838-L842 VanDerWaalsContact O-CD1 3.29Å; L838-L842 WeakPolarHBondContact O-CD1 3.46Å; L838-L842 PolarHBondContact O-N 3.15Å; L838-L842 VanDerWaalsContact O-N 3.07Å; L838-L911 HydrophobicContact CD1-CD2 4.37Å; L838-L911 HydrophobicContact CD2-CD2 3.34Å; L838-L911 HydrophobicContact CG-CD2 3.92Å; L838-L914 HydrophobicContact CD2-CD1 4.24Å
839	Q	35	Very low	34.5	Very low	139.75 Å²	139.75	102.9 Å²	102.9	65%	0.653	61%	0.605	S	S	*	*	H	α-helix	trans	-71.3	-22.2	-179.2	-125.9	171.5	5	0	0	113.5	L835 N836 S841 S843	L835-Q839 WeakPolarHBondContact O-CB 3.47Å; L835-Q839 PolarHBondContact O-N 2.82Å; L835-Q839 VanDerWaalsContact O-N 3.14Å; N836-Q839 PolarHBondContact O-N 2.84Å; Q839-S841 VanDerWaalsContact C-N 3.33Å; Q839-S841 PolarHBondContact O-N 2.71Å; Q839-S843 PolarHBondContact O-N 3.24Å; Q839-S843 PolarHBondContact O-OG 2.82Å
840	S	33.6	Very low	35.1	Very low	86.25 Å²	86.25	100.2 Å²	100.2	60%	0.603	59%	0.591	S	S	*	*	H	α-helix	trans	-82.9	8.4	178.1	57.8	0	0	0	0	114.4	N836 G837 L838 S843	N836-S840 WeakPolarHBondContact O-CB 3.49Å; N836-S840 PolarHBondContact O-N 2.99Å; N836-S840 VanDerWaalsContact O-N 3.11Å; N836-S840 PolarHBondContact O-OG 3.31Å; G837-S840 WeakPolarHBondContact CA-OG 3.46Å; G837-S840 PolarHBondContact O-OG 2.87Å; L838-S840 PolarHBondContact O-N 3.3Å; L838-S840 VanDerWaalsContact O-N 3.12Å; S840-S843 WeakPolarHBondContact CA-OG 3.47Å; S840-S843 PolarHBondContact O-OG 3.31Å
841	S	33.3	Very low	36.2	Very low	70.25 Å²	70.25	95.6 Å²	95.6	49%	0.491	57%	0.57	S	S	.	*	H	α-helix	trans	-125.1	0.5	171.9	57.7	0	0	0	0	113.2	G837 L838 Q839 S843 S844 S845	G837-S841 WeakPolarHBondContact O-CB 3.29Å; G837-S841 PolarHBondContact O-N 3.17Å; G837-S841 VanDerWaalsContact O-N 3.13Å; G837-S841 PolarHBondContact O-OG 2.85Å; L838-S841 PolarHBondContact O-N 3.23Å; L838-S841 PolarHBondContact O-OG 3.11Å; Q839-S841 VanDerWaalsContact C-N 3.33Å; Q839-S841 PolarHBondContact O-N 2.71Å; S841-S843 VanDerWaalsContact C-N 3.26Å; S841-S843 PolarHBondContact O-N 2.78Å; S841-S844 PolarHBondContact O-N 3.36Å; S841-S844 PolarHBondContact O-OG 3.23Å; S841-S844 VanDerWaalsContact O-OG 3.06Å; S841-S845 PolarHBondContact O-OG 3.5Å
842	L	33.2	Very low	37.2	Very low	104.75 Å²	104.75	90 Å²	90	55%	0.548	54%	0.54	S	S	.	.	H	α-helix	trans	-98.8	-12.9	164.3	-92.9	73.6	0	0	0	111.7	L838 S844 S845 W849	L838-L842 HydrophobicContact CB-CD1 4.39Å; L838-L842 HydrophobicContact CD2-CD1 3.61Å; L838-L842 VanDerWaalsContact O-CB 3.28Å; L838-L842 WeakPolarHBondContact O-CB 3.33Å; L838-L842 VanDerWaalsContact O-CD1 3.29Å; L838-L842 WeakPolarHBondContact O-CD1 3.46Å; L838-L842 PolarHBondContact O-N 3.15Å; L838-L842 VanDerWaalsContact O-N 3.07Å; L842-S844 PolarHBondContact O-N 3.23Å; L842-S844 VanDerWaalsContact O-N 3.13Å; L842-S845 PolarHBondContact O-N 3.31Å; L842-S845 PolarHBondContact O-OG 2.81Å; L842-W849 HydrophobicContact CD2-CD2 4.34Å; L842-W849 HydrophobicContact CD2-CH2 4.08Å; L842-W849 HydrophobicContact CD2-CZ2 3.39Å; L842-W849 HydrophobicContact CG-CZ2 3.81Å
843	S	31.4	Very low	38.3	Very low	102 Å²	102	87.9 Å²	87.9	71%	0.713	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	14.4	-178.2	52.6	0	0	0	0	114.5	Q839 S840 S841 S845	Q839-S843 PolarHBondContact O-N 3.24Å; Q839-S843 PolarHBondContact O-OG 2.82Å; S840-S843 WeakPolarHBondContact CA-OG 3.47Å; S840-S843 PolarHBondContact O-OG 3.31Å; S841-S843 VanDerWaalsContact C-N 3.26Å; S841-S843 PolarHBondContact O-N 2.78Å; S843-S845 VanDerWaalsContact C-N 3.3Å; S843-S845 PolarHBondContact O-N 2.82Å
844	S	32.8	Very low	39	Very low	108 Å²	108	88.6 Å²	88.6	76%	0.755	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	31.3	-176.1	58.4	0	0	0	0	115	S841 L842	S841-S844 PolarHBondContact O-N 3.36Å; S841-S844 PolarHBondContact O-OG 3.23Å; S841-S844 VanDerWaalsContact O-OG 3.06Å; L842-S844 PolarHBondContact O-N 3.23Å; L842-S844 VanDerWaalsContact O-N 3.13Å
845	S	31.4	Very low	40	Very low	87 Å²	87	85.3 Å²	85.3	61%	0.608	51%	0.512	S	S	*	.			trans	-123.5	80.6	171.4	59.8	0	0	0	0	112	S841 L842 S843 A847	S841-S845 PolarHBondContact O-OG 3.5Å; L842-S845 PolarHBondContact O-N 3.31Å; L842-S845 PolarHBondContact O-OG 2.81Å; S843-S845 VanDerWaalsContact C-N 3.3Å; S843-S845 PolarHBondContact O-N 2.82Å; S845-A847 VanDerWaalsContact C-N 3.26Å; S845-A847 PolarHBondContact O-N 3.28Å
846	T	34.6	Very low	41	Very low	110.5 Å²	110.5	86.4 Å²	86.4	68%	0.678	52%	0.519	S	S	*	.			trans	-87.9	102.6	166.4	49.5	0	0	0	0	109.1	D848 W849	T846-D848 WeakPolarHBondContact CB-OD2 3.3Å; T846-D848 PolarHBondContact O-N 2.83Å; T846-W849 PolarHBondContact OG1-NE1 3.38Å
847	A	37	Very low	42	Very low	52.75 Å²	52.75	84.8 Å²	84.8	44%	0.436	51%	0.51	S	S	.	.			trans	-83.3	91.4	173.9	0	0	0	0	0	110.1	S845 W849 S850 L852	S845-A847 VanDerWaalsContact C-N 3.26Å; S845-A847 PolarHBondContact O-N 3.28Å; A847-W849 VanDerWaalsContact C-N 3.35Å; A847-W849 VanDerWaalsContact O-CD1 3.24Å; A847-W849 PolarHBondContact O-N 3.28Å; A847-W849 VanDerWaalsContact O-N 3.15Å; A847-W849 PolarHBondContact O-NE1 3.44Å; A847-S850 PolarHBondContact O-OG 3.28Å; A847-L852 HydrophobicContact CB-CD2 4.45Å
848	D	40.8	Very low	43	Very low	120 Å²	120	89.5 Å²	89.5	64%	0.642	52%	0.522	S	S	*	.			trans	-67.5	90.8	176.8	-66.3	-46.1	0	0	0	110.8	T846 S850 T851 L852	T846-D848 WeakPolarHBondContact CB-OD2 3.3Å; T846-D848 PolarHBondContact O-N 2.83Å; D848-S850 PolarHBondContact O-N 2.95Å; D848-S850 VanDerWaalsContact O-N 3.14Å; D848-T851 HydrophobicContact CB-CG2 3.93Å; D848-T851 WeakPolarHBondContact O-CA 3.24Å; D848-T851 WeakPolarHBondContact O-CB 3.27Å; D848-T851 PolarHBondContact O-N 2.85Å; D848-T851 PolarHBondContact O-OG1 3Å; D848-L852 WeakPolarHBondContact O-CB 3.49Å; D848-L852 WeakPolarHBondContact O-CD1 3.45Å; D848-L852 VanDerWaalsContact O-CG 3.28Å; D848-L852 WeakPolarHBondContact O-CG 3.38Å; D848-L852 PolarHBondContact O-N 3.29Å; D848-L852 VanDerWaalsContact O-N 3.15Å
849	W	42.9	Very low	44.5	Very low	98.5 Å²	98.5	87.9 Å²	87.9	37%	0.373	52%	0.517	S	S	.	.			trans	-68.4	46.4	-179.4	-87.2	113.9	0	0	0	112	H717 Q719 L842 T846 A847 T851 L852 T853 L867 V870 I873	H717-W849 HydrophobicContact CB-CE3 4Å; H717-W849 HydrophobicContact CB-CH2 4.16Å; H717-W849 HydrophobicContact CB-CZ3 3.52Å; H717-W849 AromaticContact CG-CH2 3.88Å; H717-W849 AromaticContact CG-CZ3 3.73Å; H717-W849 AromaticContact ND1-CH2 3.52Å; H717-W849 AromaticContact ND1-CZ3 3.84Å; Q719-W849 HydrophobicContact CB-CB 4.25Å; L842-W849 HydrophobicContact CD2-CD2 4.34Å; L842-W849 HydrophobicContact CD2-CH2 4.08Å; L842-W849 HydrophobicContact CD2-CZ2 3.39Å; L842-W849 HydrophobicContact CG-CZ2 3.81Å; T846-W849 PolarHBondContact OG1-NE1 3.38Å; A847-W849 VanDerWaalsContact C-N 3.35Å; A847-W849 VanDerWaalsContact O-CD1 3.24Å; A847-W849 PolarHBondContact O-N 3.28Å; A847-W849 VanDerWaalsContact O-N 3.15Å; A847-W849 PolarHBondContact O-NE1 3.44Å; W849-T851 VanDerWaalsContact C-N 3.26Å; W849-T851 PolarHBondContact O-N 3.41Å; W849-L852 HydrophobicContact CB-CD1 4.42Å; W849-L852 HydrophobicContact CD2-CD1 4.12Å; W849-L852 HydrophobicContact CE3-CD1 4.26Å; W849-L852 HydrophobicContact CG-CD1 4.21Å; W849-L852 WeakPolarHBondContact O-CB 3.27Å; W849-L852 PolarHBondContact O-N 3.03Å; W849-T853 PolarHBondContact O-N 3.48Å; W849-L867 HydrophobicContact CE3-CD1 4.34Å; W849-L867 HydrophobicContact CH2-CD1 3.25Å; W849-L867 HydrophobicContact CH2-CD2 3.99Å; W849-L867 HydrophobicContact CH2-CG 4.19Å; W849-L867 HydrophobicContact CZ2-CD1 4.35Å; W849-L867 HydrophobicContact CZ3-CD1 3.23Å; W849-L867 HydrophobicContact CZ3-CD2 3.54Å; W849-L867 HydrophobicContact CZ3-CG 3.98Å; W849-V870 HydrophobicContact CZ3-CG2 4.3Å; W849-I873 HydrophobicContact CH2-CB 4.32Å; W849-I873 HydrophobicContact CH2-CD1 3.86Å; W849-I873 HydrophobicContact CH2-CG2 4.38Å; W849-I873 HydrophobicContact CZ2-CB 3.92Å; W849-I873 HydrophobicContact CZ2-CD1 3.58Å; W849-I873 HydrophobicContact CZ2-CG1 4.34Å; W849-I873 HydrophobicContact CZ2-CG2 3.53Å; W849-I873 HydrophobicContact CZ3-CD1 4.42Å
850	S	46.5	Very low	46	Very low	70.25 Å²	70.25	82.5 Å²	82.5	49%	0.491	49%	0.494	S	S	.	.			trans	-71.8	39.7	174.3	46.2	0	0	0	0	111.9	Q719 A847 D848 T853 N854 L855	Q719-S850 PolarHBondContact N-O 2.97Å; A847-S850 PolarHBondContact O-OG 3.28Å; D848-S850 PolarHBondContact O-N 2.95Å; D848-S850 VanDerWaalsContact O-N 3.14Å; S850-T853 WeakPolarHBondContact O-CG2 3.4Å; S850-T853 PolarHBondContact O-OG1 3.37Å; S850-T853 VanDerWaalsContact O-OG1 3.09Å; S850-N854 PolarHBondContact O-ND2 3.29Å; S850-L855 WeakPolarHBondContact OG-CD2 3.29Å
851	T	54.1	Low	47.6	Very low	58.5 Å²	58.5	79.1 Å²	79.1	36%	0.359	47%	0.472	S	S	.	.	B	Isolated β-bridge	trans	-66	58.2	167.8	51.3	0	0	0	0	111.4	Q719 D848 W849 T853 N854	Q719-T851 HydrophobicContact CB-CG2 4.37Å; Q719-T851 HydrophobicContact CG-CG2 4.15Å; D848-T851 HydrophobicContact CB-CG2 3.93Å; D848-T851 WeakPolarHBondContact O-CA 3.24Å; D848-T851 WeakPolarHBondContact O-CB 3.27Å; D848-T851 PolarHBondContact O-N 2.85Å; D848-T851 PolarHBondContact O-OG1 3Å; W849-T851 VanDerWaalsContact C-N 3.26Å; W849-T851 PolarHBondContact O-N 3.41Å; T851-T853 PolarHBondContact O-N 3.28Å; T851-T853 PolarHBondContact O-OG1 2.95Å; T851-T853 PolarHBondContact OG1-OG1 3.18Å; T851-N854 PolarHBondContact O-N 3.01Å; T851-N854 PolarHBondContact OG1-ND2 2.94Å
852	L	51.5	Low	49.4	Very low	14 Å²	14	78.5 Å²	78.5	7%	0.073	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-52.2	-27.1	174.4	-85.7	164.4	0	0	0	114.4	L622 V623 L628 V718 Q719 L720 A847 D848 W849 N854 L855 V863 R866 S869 I873	L622-L852 HydrophobicContact CG-CD1 4.36Å; V623-L852 WeakPolarHBondContact O-CD1 3.36Å; L628-L852 HydrophobicContact CD1-CD2 3.65Å; L628-L852 HydrophobicContact CG-CD2 4.37Å; V718-L852 HydrophobicContact CG1-CD2 4.14Å; V718-L852 HydrophobicContact CG1-CG 4.39Å; Q719-L852 VanDerWaalsContact O-CD1 3.29Å; Q719-L852 WeakPolarHBondContact O-CD1 3.2Å; L720-L852 HydrophobicContact CD2-CD1 3.61Å; L720-L852 HydrophobicContact CD2-CD2 3.97Å; L720-L852 HydrophobicContact CD2-CG 3.81Å; L720-L852 HydrophobicContact CG-CD1 4.31Å; A847-L852 HydrophobicContact CB-CD2 4.45Å; D848-L852 WeakPolarHBondContact O-CB 3.49Å; D848-L852 WeakPolarHBondContact O-CD1 3.45Å; D848-L852 VanDerWaalsContact O-CG 3.28Å; D848-L852 WeakPolarHBondContact O-CG 3.38Å; D848-L852 PolarHBondContact O-N 3.29Å; D848-L852 VanDerWaalsContact O-N 3.15Å; W849-L852 HydrophobicContact CB-CD1 4.42Å; W849-L852 HydrophobicContact CD2-CD1 4.12Å; W849-L852 HydrophobicContact CE3-CD1 4.26Å; W849-L852 HydrophobicContact CG-CD1 4.21Å; W849-L852 WeakPolarHBondContact O-CB 3.27Å; W849-L852 PolarHBondContact O-N 3.03Å; L852-N854 VanDerWaalsContact C-N 3.28Å; L852-N854 PolarHBondContact O-N 3.29Å; L852-N854 VanDerWaalsContact O-N 3.12Å; L852-L855 HydrophobicContact CD2-CD1 3.84Å; L852-L855 HydrophobicContact CD2-CG 4.21Å; L852-L855 HydrophobicContact CG-CD1 4.43Å; L852-L855 PolarHBondContact O-N 3.05Å; L852-V863 HydrophobicContact CD1-CG1 3.86Å; L852-V863 HydrophobicContact CD2-CB 4.29Å; L852-V863 HydrophobicContact CD2-CG1 3.94Å; L852-V863 HydrophobicContact CD2-CG2 4.04Å; L852-R866 HydrophobicContact CD2-CG 4.2Å; L852-R866 VanDerWaalsContact O-CZ 3.24Å; L852-R866 PolarHBondContact O-NE 3.14Å; L852-R866 PolarHBondContact O-NH2 2.84Å; L852-S869 VanDerWaalsContact CD1-OG 3.24Å; L852-S869 WeakPolarHBondContact CD1-OG 3.48Å; L852-S869 WeakPolarHBondContact CD2-OG 3.49Å; L852-I873 HydrophobicContact CD1-CD1 4.44Å
853	T	54.4	Low	51.4	Low	62 Å²	62	74.6 Å²	74.6	38%	0.38	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-64.7	-24.7	175.9	56.9	0	0	0	0	114	W849 S850 T851 R866	W849-T853 PolarHBondContact O-N 3.48Å; S850-T853 WeakPolarHBondContact O-CG2 3.4Å; S850-T853 PolarHBondContact O-OG1 3.37Å; S850-T853 VanDerWaalsContact O-OG1 3.09Å; T851-T853 PolarHBondContact O-N 3.28Å; T851-T853 PolarHBondContact O-OG1 2.95Å; T851-T853 PolarHBondContact OG1-OG1 3.18Å; T853-R866 VanDerWaalsContact C-NH2 3.28Å; T853-R866 PolarHBondContact O-NH2 3.35Å
854	N	54.3	Low	53.6	Low	124.25 Å²	124.25	70 Å²	70	66%	0.664	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-109.9	15	-170.4	-57.6	-4.3	0	0	0	113.2	S850 T851 L852 D856	S850-N854 PolarHBondContact O-ND2 3.29Å; T851-N854 PolarHBondContact O-N 3.01Å; T851-N854 PolarHBondContact OG1-ND2 2.94Å; L852-N854 VanDerWaalsContact C-N 3.28Å; L852-N854 PolarHBondContact O-N 3.29Å; L852-N854 VanDerWaalsContact O-N 3.12Å; N854-D856 PolarHBondContact O-N 3.2Å
855	L	56.4	Low	55.8	Low	47.5 Å²	47.5	67.3 Å²	67.3	25%	0.249	39%	0.393	C	S	.	.			trans	-75.6	131	179.3	-72.9	175.5	0	0	0	112	L628 S850 L852 L857 S859 T860 T862 V863 R866	L628-L855 HydrophobicContact CD1-CD1 4.06Å; L628-L855 HydrophobicContact CD2-CB 4.41Å; L628-L855 HydrophobicContact CD2-CD1 4.07Å; S850-L855 WeakPolarHBondContact OG-CD2 3.29Å; L852-L855 HydrophobicContact CD2-CD1 3.84Å; L852-L855 HydrophobicContact CD2-CG 4.21Å; L852-L855 HydrophobicContact CG-CD1 4.43Å; L852-L855 PolarHBondContact O-N 3.05Å; L855-L857 PolarHBondContact O-N 3.1Å; L855-S859 WeakPolarHBondContact CB-OG 3.28Å; L855-T860 HydrophobicContact CB-CG2 4.37Å; L855-T862 HydrophobicContact CB-CG2 4.27Å; L855-T862 HydrophobicContact CD1-CG2 4.46Å; L855-T862 HydrophobicContact CD2-CG2 4.08Å; L855-V863 HydrophobicContact CD1-CG1 4.03Å; L855-V863 HydrophobicContact CD2-CB 4.35Å; L855-V863 HydrophobicContact CD2-CG1 4.05Å; L855-V863 HydrophobicContact CD2-CG2 4.19Å; L855-R866 HydrophobicContact CD1-CG 4.12Å; L855-R866 PolarHBondContact O-NH1 3.24Å; L855-R866 PolarHBondContact O-NH2 3.41Å
856	D	56.4	Low	58	Low	120.5 Å²	120.5	67.8 Å²	67.8	64%	0.644	38%	0.381	S	S	*	.			trans	-66.4	136.1	179.6	-142.4	4.1	0	0	0	111.7	N854 N858 S859 T860 T862	N854-D856 PolarHBondContact O-N 3.2Å; D856-N858 VanDerWaalsContact C-N 3.3Å; D856-N858 PolarHBondContact O-N 3.04Å; D856-N858 VanDerWaalsContact O-N 3.11Å; D856-N858 PolarHBondContact OD1-ND2 3.24Å; D856-N858 PolarHBondContact OD2-ND2 2.7Å; D856-S859 PolarHBondContact N-OG 3.42Å; D856-S859 WeakPolarHBondContact O-CA 3.32Å; D856-S859 WeakPolarHBondContact O-CB 3.37Å; D856-S859 PolarHBondContact O-N 2.97Å; D856-S859 PolarHBondContact O-OG 3.3Å; D856-T860 PolarHBondContact O-N 3.16Å; D856-T860 PolarHBondContact O-OG1 2.8Å; D856-T862 WeakPolarHBondContact O-CB 3.46Å; D856-T862 PolarHBondContact O-OG1 2.76Å
857	L	55.6	Low	60.3	Low	76.75 Å²	76.75	62.7 Å²	62.7	40%	0.402	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.9	-169.9	-118.9	74.2	0	0	0	113.5	L855 S859 T860 G861	L855-L857 PolarHBondContact O-N 3.1Å; L857-S859 VanDerWaalsContact C-N 3.27Å; L857-S859 PolarHBondContact O-N 3.42Å; L857-S859 VanDerWaalsContact O-N 3.17Å; L857-T860 WeakPolarHBondContact CA-OG1 3.36Å; L857-T860 WeakPolarHBondContact O-CG2 3.33Å; L857-T860 PolarHBondContact O-N 3.04Å; L857-T860 PolarHBondContact O-OG1 3.29Å; L857-G861 PolarHBondContact O-N 3.46Å
858	N	56.1	Low	62.5	Low	150 Å²	150	60.7 Å²	60.7	80%	0.802	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.2	-176.9	-64.4	-32.2	0	0	0	113.3	D856 T862	D856-N858 VanDerWaalsContact C-N 3.3Å; D856-N858 PolarHBondContact O-N 3.04Å; D856-N858 VanDerWaalsContact O-N 3.11Å; D856-N858 PolarHBondContact OD1-ND2 3.24Å; D856-N858 PolarHBondContact OD2-ND2 2.7Å; N858-T862 WeakPolarHBondContact O-CB 3.4Å; N858-T862 PolarHBondContact O-N 2.93Å; N858-T862 VanDerWaalsContact O-N 3.12Å; N858-T862 PolarHBondContact O-OG1 3.01Å
859	S	64.1	Low	64.4	Low	42.75 Å²	42.75	56.8 Å²	56.8	30%	0.299	32%	0.315	S	S	.	.	H	α-helix	trans	-91.3	-17.5	176.9	80.2	0	0	0	0	112.5	L855 D856 L857 G861 T862 V863	L855-S859 WeakPolarHBondContact CB-OG 3.28Å; D856-S859 PolarHBondContact N-OG 3.42Å; D856-S859 WeakPolarHBondContact O-CA 3.32Å; D856-S859 WeakPolarHBondContact O-CB 3.37Å; D856-S859 PolarHBondContact O-N 2.97Å; D856-S859 PolarHBondContact O-OG 3.3Å; L857-S859 VanDerWaalsContact C-N 3.27Å; L857-S859 PolarHBondContact O-N 3.42Å; L857-S859 VanDerWaalsContact O-N 3.17Å; S859-G861 VanDerWaalsContact C-N 3.3Å; S859-G861 PolarHBondContact O-N 3.09Å; S859-G861 VanDerWaalsContact O-N 3.12Å; S859-T862 PolarHBondContact O-N 3.2Å; S859-T862 PolarHBondContact O-OG1 3.03Å; S859-T862 WeakPolarHBondContact OG-CB 3.41Å; S859-T862 WeakPolarHBondContact OG-CG2 3.41Å; S859-T862 PolarHBondContact OG-N 3.49Å; S859-T862 PolarHBondContact OG-OG1 3.48Å; S859-V863 WeakPolarHBondContact O-CB 3.43Å; S859-V863 VanDerWaalsContact O-CG2 3.25Å; S859-V863 WeakPolarHBondContact O-CG2 3.19Å; S859-V863 PolarHBondContact O-N 3.02Å; S859-V863 VanDerWaalsContact O-N 3.08Å
860	T	64.9	Low	66.4	Low	27 Å²	27	52.9 Å²	52.9	17%	0.166	30%	0.302	C	S	.	.	H	α-helix	trans	-57.6	-38.9	-176.7	48.1	0	0	0	0	113.2	N631 T635 L855 D856 L857 T862 V863 I864	N631-T860 HydrophobicContact CB-CG2 4.5Å; T635-T860 WeakPolarHBondContact CB-OG1 3.43Å; T635-T860 VanDerWaalsContact CG2-OG1 3.25Å; T635-T860 WeakPolarHBondContact CG2-OG1 3.34Å; T635-T860 WeakPolarHBondContact OG1-CB 3Å; T635-T860 WeakPolarHBondContact OG1-CG2 3.44Å; T635-T860 PolarHBondContact OG1-OG1 2.82Å; L855-T860 HydrophobicContact CB-CG2 4.37Å; D856-T860 PolarHBondContact O-N 3.16Å; D856-T860 PolarHBondContact O-OG1 2.8Å; L857-T860 WeakPolarHBondContact CA-OG1 3.36Å; L857-T860 WeakPolarHBondContact O-CG2 3.33Å; L857-T860 PolarHBondContact O-N 3.04Å; L857-T860 PolarHBondContact O-OG1 3.29Å; T860-T862 VanDerWaalsContact C-N 3.34Å; T860-T862 PolarHBondContact O-N 3.42Å; T860-V863 PolarHBondContact O-N 3.4Å; T860-I864 VanDerWaalsContact O-CB 3.31Å; T860-I864 WeakPolarHBondContact O-CB 3.46Å; T860-I864 WeakPolarHBondContact O-CD1 3.33Å; T860-I864 VanDerWaalsContact O-CG1 3.24Å; T860-I864 WeakPolarHBondContact O-CG1 3.32Å; T860-I864 PolarHBondContact O-N 2.98Å
861	G	68.2	Low	68.3	Low	14.25 Å²	14.25	49.5 Å²	49.5	15%	0.147	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-41.9	175.7	0	0	0	0	0	113.2	L857 S859 V863 I864 T865	L857-G861 PolarHBondContact O-N 3.46Å; S859-G861 VanDerWaalsContact C-N 3.3Å; S859-G861 PolarHBondContact O-N 3.09Å; S859-G861 VanDerWaalsContact O-N 3.12Å; G861-V863 VanDerWaalsContact C-N 3.32Å; G861-V863 PolarHBondContact O-N 2.87Å; G861-I864 PolarHBondContact O-N 3.31Å; G861-I864 VanDerWaalsContact O-N 3.13Å; G861-T865 WeakPolarHBondContact O-CB 3.4Å; G861-T865 VanDerWaalsContact O-CG2 3.28Å; G861-T865 WeakPolarHBondContact O-CG2 3.33Å; G861-T865 PolarHBondContact O-N 3.12Å; G861-T865 PolarHBondContact O-OG1 3.32Å
862	T	71.7	Confident	69.6	Low	57.75 Å²	57.75	47.8 Å²	47.8	35%	0.354	27%	0.269	S	S	.	.	H	α-helix	trans	-71.4	-30.9	177.7	37.4	0	0	0	0	112.6	L855 D856 N858 S859 T860 T865 R866	L855-T862 HydrophobicContact CB-CG2 4.27Å; L855-T862 HydrophobicContact CD1-CG2 4.46Å; L855-T862 HydrophobicContact CD2-CG2 4.08Å; D856-T862 WeakPolarHBondContact O-CB 3.46Å; D856-T862 PolarHBondContact O-OG1 2.76Å; N858-T862 WeakPolarHBondContact O-CB 3.4Å; N858-T862 PolarHBondContact O-N 2.93Å; N858-T862 VanDerWaalsContact O-N 3.12Å; N858-T862 PolarHBondContact O-OG1 3.01Å; S859-T862 PolarHBondContact O-N 3.2Å; S859-T862 PolarHBondContact O-OG1 3.03Å; S859-T862 WeakPolarHBondContact OG-CB 3.41Å; S859-T862 WeakPolarHBondContact OG-CG2 3.41Å; S859-T862 PolarHBondContact OG-N 3.49Å; S859-T862 PolarHBondContact OG-OG1 3.48Å; T860-T862 VanDerWaalsContact C-N 3.34Å; T860-T862 PolarHBondContact O-N 3.42Å; T862-T865 VanDerWaalsContact CA-OG1 3.31Å; T862-T865 WeakPolarHBondContact CA-OG1 3.36Å; T862-T865 PolarHBondContact O-N 3.38Å; T862-T865 PolarHBondContact O-OG1 3.1Å; T862-T865 VanDerWaalsContact O-OG1 3.09Å; T862-R866 WeakPolarHBondContact O-CB 3.22Å; T862-R866 WeakPolarHBondContact O-CD 3.4Å; T862-R866 VanDerWaalsContact O-CG 3.31Å; T862-R866 WeakPolarHBondContact O-CG 3.36Å; T862-R866 PolarHBondContact O-N 3.06Å
863	V	74.7	Confident	71.2	Confident	22 Å²	22	51 Å²	51	13%	0.133	29%	0.285	C	S	.	.	H	α-helix	trans	-70	-43.7	173.5	174.1	0	0	0	0	110.9	V718 L852 L855 S859 T860 G861 T865 R866 L867	V718-V863 HydrophobicContact CG1-CG1 4.31Å; V718-V863 HydrophobicContact CG2-CG1 3.63Å; L852-V863 HydrophobicContact CD1-CG1 3.86Å; L852-V863 HydrophobicContact CD2-CB 4.29Å; L852-V863 HydrophobicContact CD2-CG1 3.94Å; L852-V863 HydrophobicContact CD2-CG2 4.04Å; L855-V863 HydrophobicContact CD1-CG1 4.03Å; L855-V863 HydrophobicContact CD2-CB 4.35Å; L855-V863 HydrophobicContact CD2-CG1 4.05Å; L855-V863 HydrophobicContact CD2-CG2 4.19Å; S859-V863 WeakPolarHBondContact O-CB 3.43Å; S859-V863 VanDerWaalsContact O-CG2 3.25Å; S859-V863 WeakPolarHBondContact O-CG2 3.19Å; S859-V863 PolarHBondContact O-N 3.02Å; S859-V863 VanDerWaalsContact O-N 3.08Å; T860-V863 PolarHBondContact O-N 3.4Å; G861-V863 VanDerWaalsContact C-N 3.32Å; G861-V863 PolarHBondContact O-N 2.87Å; V863-T865 PolarHBondContact O-N 3.06Å; V863-R866 WeakPolarHBondContact O-CB 3.35Å; V863-R866 PolarHBondContact O-N 3.13Å; V863-L867 HydrophobicContact CG1-CD1 4.03Å; V863-L867 HydrophobicContact CG1-CG 4.47Å; V863-L867 WeakPolarHBondContact O-CB 3.44Å; V863-L867 WeakPolarHBondContact O-CD1 3.28Å; V863-L867 WeakPolarHBondContact O-CG 3.41Å; V863-L867 PolarHBondContact O-N 3.04Å
864	I	77.9	Confident	72.6	Confident	4.75 Å²	4.75	48.8 Å²	48.8	2%	0.024	27%	0.271	C	S	.	.	H	α-helix	trans	-69.7	-38.1	179.4	-70.4	165.1	0	0	0	111.9	L628 L632 I647 Q650 F651 T860 G861 R866 L867 A868	L628-I864 HydrophobicContact CD2-CD1 4.41Å; L632-I864 HydrophobicContact CD1-CD1 3.96Å; L632-I864 HydrophobicContact CD2-CD1 3.74Å; L632-I864 HydrophobicContact CG-CD1 3.54Å; I647-I864 HydrophobicContact CG2-CD1 3.69Å; I647-I864 HydrophobicContact CG2-CG2 4.45Å; Q650-I864 HydrophobicContact CB-CG2 3.89Å; F651-I864 HydrophobicContact CB-CG2 4.2Å; F651-I864 HydrophobicContact CD2-CD1 4.45Å; T860-I864 VanDerWaalsContact O-CB 3.31Å; T860-I864 WeakPolarHBondContact O-CB 3.46Å; T860-I864 WeakPolarHBondContact O-CD1 3.33Å; T860-I864 VanDerWaalsContact O-CG1 3.24Å; T860-I864 WeakPolarHBondContact O-CG1 3.32Å; T860-I864 PolarHBondContact O-N 2.98Å; G861-I864 PolarHBondContact O-N 3.31Å; G861-I864 VanDerWaalsContact O-N 3.13Å; I864-R866 VanDerWaalsContact C-N 3.3Å; I864-R866 PolarHBondContact O-N 3.11Å; I864-L867 HydrophobicContact CG1-CD1 4.31Å; I864-L867 PolarHBondContact O-N 3.17Å; I864-A868 VanDerWaalsContact O-CB 3.31Å; I864-A868 WeakPolarHBondContact O-CB 3.35Å; I864-A868 PolarHBondContact O-N 3.21Å
865	T	77.4	Confident	74.1	Confident	52.75 Å²	52.75	42.9 Å²	42.9	32%	0.324	24%	0.24	S	C	.	.	H	α-helix	trans	-62.5	-41.3	173.1	30.2	0	0	0	0	111.9	G861 T862 V863 A868 S869	G861-T865 WeakPolarHBondContact O-CB 3.4Å; G861-T865 VanDerWaalsContact O-CG2 3.28Å; G861-T865 WeakPolarHBondContact O-CG2 3.33Å; G861-T865 PolarHBondContact O-N 3.12Å; G861-T865 PolarHBondContact O-OG1 3.32Å; T862-T865 VanDerWaalsContact CA-OG1 3.31Å; T862-T865 WeakPolarHBondContact CA-OG1 3.36Å; T862-T865 PolarHBondContact O-N 3.38Å; T862-T865 PolarHBondContact O-OG1 3.1Å; T862-T865 VanDerWaalsContact O-OG1 3.09Å; V863-T865 PolarHBondContact O-N 3.06Å; T865-A868 PolarHBondContact O-N 3.4Å; T865-S869 WeakPolarHBondContact O-CB 3.35Å; T865-S869 PolarHBondContact O-N 3.12Å; T865-S869 PolarHBondContact O-OG 3.27Å; T865-S869 VanDerWaalsContact O-OG 3.07Å
866	R	79.2	Confident	75.4	Confident	97.75 Å²	97.75	46.9 Å²	46.9	37%	0.369	25%	0.252	S	S	.	.	H	α-helix	trans	-63.5	-46.5	174.1	-76	173.8	177.1	175.1	0.7	112.1	L852 T853 L855 T862 V863 I864 A868 S869 V870	L852-R866 HydrophobicContact CD2-CG 4.2Å; L852-R866 VanDerWaalsContact O-CZ 3.24Å; L852-R866 PolarHBondContact O-NE 3.14Å; L852-R866 PolarHBondContact O-NH2 2.84Å; T853-R866 VanDerWaalsContact C-NH2 3.28Å; T853-R866 PolarHBondContact O-NH2 3.35Å; L855-R866 HydrophobicContact CD1-CG 4.12Å; L855-R866 PolarHBondContact O-NH1 3.24Å; L855-R866 PolarHBondContact O-NH2 3.41Å; T862-R866 WeakPolarHBondContact O-CB 3.22Å; T862-R866 WeakPolarHBondContact O-CD 3.4Å; T862-R866 VanDerWaalsContact O-CG 3.31Å; T862-R866 WeakPolarHBondContact O-CG 3.36Å; T862-R866 PolarHBondContact O-N 3.06Å; V863-R866 WeakPolarHBondContact O-CB 3.35Å; V863-R866 PolarHBondContact O-N 3.13Å; I864-R866 VanDerWaalsContact C-N 3.3Å; I864-R866 PolarHBondContact O-N 3.11Å; R866-A868 PolarHBondContact O-N 3.39Å; R866-S869 WeakPolarHBondContact CA-OG 3.39Å; R866-S869 PolarHBondContact O-N 3.22Å; R866-S869 PolarHBondContact O-OG 3.03Å; R866-S869 VanDerWaalsContact O-OG 3.08Å; R866-V870 VanDerWaalsContact O-CB 3.28Å; R866-V870 WeakPolarHBondContact O-CB 3.36Å; R866-V870 VanDerWaalsContact O-CG2 3.26Å; R866-V870 WeakPolarHBondContact O-CG2 3.3Å; R866-V870 PolarHBondContact O-N 3.03Å
867	L	82.4	Confident	76.6	Confident	2.25 Å²	2.25	45.6 Å²	45.6	1%	0.012	24%	0.242	C	C	.	.	H	α-helix	trans	-58.4	-49.8	176.3	-80	166.8	0	0	0	111.9	L628 F654 S716 V718 L720 W849 V863 I864 S869 A871	L628-L867 HydrophobicContact CD1-CD1 3.82Å; L628-L867 HydrophobicContact CD2-CD1 3.98Å; F654-L867 HydrophobicContact CD2-CB 3.77Å; F654-L867 WeakPolarHBondContact CD2-O 3.31Å; F654-L867 HydrophobicContact CE2-CB 3.74Å; F654-L867 HydrophobicContact CE2-CD2 3.79Å; F654-L867 HydrophobicContact CE2-CG 4.28Å; F654-L867 HydrophobicContact CG-CB 4.3Å; F654-L867 HydrophobicContact CZ-CB 4.27Å; F654-L867 HydrophobicContact CZ-CD1 4.35Å; F654-L867 HydrophobicContact CZ-CD2 3.89Å; F654-L867 HydrophobicContact CZ-CG 4.44Å; S716-L867 WeakPolarHBondContact OG-CD2 3.44Å; V718-L867 HydrophobicContact CB-CD2 4Å; V718-L867 HydrophobicContact CB-CG 4.45Å; V718-L867 HydrophobicContact CG1-CD1 4.38Å; V718-L867 HydrophobicContact CG1-CD2 4.31Å; V718-L867 HydrophobicContact CG2-CD1 4.26Å; V718-L867 HydrophobicContact CG2-CD2 4.01Å; V718-L867 HydrophobicContact CG2-CG 4.02Å; L720-L867 HydrophobicContact CD1-CD2 3.91Å; L720-L867 HydrophobicContact CD2-CD2 4.2Å; L720-L867 HydrophobicContact CG-CD2 4.35Å; W849-L867 HydrophobicContact CE3-CD1 4.34Å; W849-L867 HydrophobicContact CH2-CD1 3.25Å; W849-L867 HydrophobicContact CH2-CD2 3.99Å; W849-L867 HydrophobicContact CH2-CG 4.19Å; W849-L867 HydrophobicContact CZ2-CD1 4.35Å; W849-L867 HydrophobicContact CZ3-CD1 3.23Å; W849-L867 HydrophobicContact CZ3-CD2 3.54Å; W849-L867 HydrophobicContact CZ3-CG 3.98Å; V863-L867 HydrophobicContact CG1-CD1 4.03Å; V863-L867 HydrophobicContact CG1-CG 4.47Å; V863-L867 WeakPolarHBondContact O-CB 3.44Å; V863-L867 WeakPolarHBondContact O-CD1 3.28Å; V863-L867 WeakPolarHBondContact O-CG 3.41Å; V863-L867 PolarHBondContact O-N 3.04Å; I864-L867 HydrophobicContact CG1-CD1 4.31Å; I864-L867 PolarHBondContact O-N 3.17Å; L867-S869 VanDerWaalsContact C-N 3.34Å; L867-S869 PolarHBondContact O-N 3.13Å; L867-A871 WeakPolarHBondContact O-CB 3.26Å; L867-A871 PolarHBondContact O-N 2.94Å
868	A	82.6	Confident	77.8	Confident	11.25 Å²	11.25	42.9 Å²	42.9	9%	0.093	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-44.7	178.8	0	0	0	0	0	111.9	Q650 F654 I864 T865 R866 S872	Q650-A868 HydrophobicContact CB-CB 4.4Å; F654-A868 HydrophobicContact CB-CB 4.09Å; I864-A868 VanDerWaalsContact O-CB 3.31Å; I864-A868 WeakPolarHBondContact O-CB 3.35Å; I864-A868 PolarHBondContact O-N 3.21Å; T865-A868 PolarHBondContact O-N 3.4Å; R866-A868 PolarHBondContact O-N 3.39Å; A868-S872 VanDerWaalsContact O-CB 3.26Å; A868-S872 WeakPolarHBondContact O-CB 3.38Å; A868-S872 PolarHBondContact O-N 2.98Å; A868-S872 PolarHBondContact O-OG 3.13Å
869	S	81.5	Confident	78.9	Confident	37.25 Å²	37.25	38.1 Å²	38.1	26%	0.26	20%	0.201	S	C	.	.	H	α-helix	trans	-65.6	-49.1	179.5	63.2	0	0	0	0	111.9	L852 T865 R866 L867 A871 S872 I873 L914	L852-S869 VanDerWaalsContact CD1-OG 3.24Å; L852-S869 WeakPolarHBondContact CD1-OG 3.48Å; L852-S869 WeakPolarHBondContact CD2-OG 3.49Å; T865-S869 WeakPolarHBondContact O-CB 3.35Å; T865-S869 PolarHBondContact O-N 3.12Å; T865-S869 PolarHBondContact O-OG 3.27Å; T865-S869 VanDerWaalsContact O-OG 3.07Å; R866-S869 WeakPolarHBondContact CA-OG 3.39Å; R866-S869 PolarHBondContact O-N 3.22Å; R866-S869 PolarHBondContact O-OG 3.03Å; R866-S869 VanDerWaalsContact O-OG 3.08Å; L867-S869 VanDerWaalsContact C-N 3.34Å; L867-S869 PolarHBondContact O-N 3.13Å; S869-A871 VanDerWaalsContact C-N 3.35Å; S869-A871 PolarHBondContact O-N 2.86Å; S869-S872 PolarHBondContact O-N 3.28Å; S869-S872 PolarHBondContact O-OG 3.2Å; S869-I873 WeakPolarHBondContact O-CD1 3.35Å; S869-I873 VanDerWaalsContact O-CG1 3.29Å; S869-I873 WeakPolarHBondContact O-CG1 3.29Å; S869-I873 PolarHBondContact O-N 3.23Å; S869-I873 VanDerWaalsContact O-N 3.08Å; S869-L914 VanDerWaalsContact OG-CD2 3.24Å; S869-L914 WeakPolarHBondContact OG-CD2 3.4Å
870	V	84.7	Confident	79.5	Confident	17.25 Å²	17.25	41.2 Å²	41.2	11%	0.105	22%	0.215	C	C	.	.	H	α-helix	trans	-59.7	-49.5	177.6	169.2	0	0	0	0	111.3	I712 L715 W849 R866 S872 I873 L874	I712-V870 HydrophobicContact CG2-CG1 4.2Å; L715-V870 HydrophobicContact CB-CG1 3.53Å; L715-V870 HydrophobicContact CB-CG2 4.44Å; L715-V870 HydrophobicContact CD1-CG1 4.31Å; W849-V870 HydrophobicContact CZ3-CG2 4.3Å; R866-V870 VanDerWaalsContact O-CB 3.28Å; R866-V870 WeakPolarHBondContact O-CB 3.36Å; R866-V870 VanDerWaalsContact O-CG2 3.26Å; R866-V870 WeakPolarHBondContact O-CG2 3.3Å; R866-V870 PolarHBondContact O-N 3.03Å; V870-S872 VanDerWaalsContact C-N 3.32Å; V870-S872 PolarHBondContact O-N 3.18Å; V870-I873 PolarHBondContact O-N 3.1Å; V870-I873 VanDerWaalsContact O-N 3.17Å; V870-L874 WeakPolarHBondContact O-CB 3.34Å; V870-L874 PolarHBondContact O-N 3.26Å
871	A	85.2	Confident	79.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.8	-47.6	177.3	0	0	0	0	0	111.1	F654 D657 I658 I712 L867 S869 I873 L874 C875	F654-A871 HydrophobicContact CD2-CB 3.74Å; F654-A871 HydrophobicContact CE2-CB 4.04Å; D657-A871 HydrophobicContact CB-CB 4.39Å; I658-A871 HydrophobicContact CG1-CB 4.39Å; I712-A871 HydrophobicContact CD1-CB 4.19Å; L867-A871 WeakPolarHBondContact O-CB 3.26Å; L867-A871 PolarHBondContact O-N 2.94Å; S869-A871 VanDerWaalsContact C-N 3.35Å; S869-A871 PolarHBondContact O-N 2.86Å; A871-I873 VanDerWaalsContact C-N 3.28Å; A871-I873 PolarHBondContact O-N 2.98Å; A871-L874 PolarHBondContact O-N 3.22Å; A871-C875 VanDerWaalsContact O-CB 3.24Å; A871-C875 WeakPolarHBondContact O-CB 3.38Å; A871-C875 PolarHBondContact O-N 3.05Å; A871-C875 PolarHBondContact O-SG 3.18Å
872	S	82.8	Confident	79	Confident	21.5 Å²	21.5	47.3 Å²	47.3	15%	0.15	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-33.7	-179.6	82.8	0	0	0	0	113	D657 A868 S869 V870 R876	D657-S872 VanDerWaalsContact OD2-CB 3.27Å; D657-S872 WeakPolarHBondContact OD2-CB 3.39Å; A868-S872 VanDerWaalsContact O-CB 3.26Å; A868-S872 WeakPolarHBondContact O-CB 3.38Å; A868-S872 PolarHBondContact O-N 2.98Å; A868-S872 PolarHBondContact O-OG 3.13Å; S869-S872 PolarHBondContact O-N 3.28Å; S869-S872 PolarHBondContact O-OG 3.2Å; V870-S872 VanDerWaalsContact C-N 3.32Å; V870-S872 PolarHBondContact O-N 3.18Å; S872-R876 VanDerWaalsContact O-CB 3.27Å; S872-R876 WeakPolarHBondContact O-CB 3.25Å; S872-R876 VanDerWaalsContact O-CG 3.27Å; S872-R876 WeakPolarHBondContact O-CG 3.44Å; S872-R876 PolarHBondContact O-N 3Å; S872-R876 PolarHBondContact O-NE 3.3Å; S872-R876 PolarHBondContact O-NH1 3.46Å; S872-R876 PolarHBondContact O-NH2 3.26Å; S872-R876 PolarHBondContact OG-NH2 3.1Å; S872-R876 VanDerWaalsContact OG-NH2 3.1Å
873	I	84	Confident	77.9	Confident	81.25 Å²	81.25	49 Å²	49	42%	0.417	25%	0.245	S	C	.	.	H	α-helix	trans	-76.5	-48.9	178.7	-65.2	163.7	0	0	0	110.2	W849 L852 S869 V870 A871 R876 H877 P910	W849-I873 HydrophobicContact CH2-CB 4.32Å; W849-I873 HydrophobicContact CH2-CD1 3.86Å; W849-I873 HydrophobicContact CH2-CG2 4.38Å; W849-I873 HydrophobicContact CZ2-CB 3.92Å; W849-I873 HydrophobicContact CZ2-CD1 3.58Å; W849-I873 HydrophobicContact CZ2-CG1 4.34Å; W849-I873 HydrophobicContact CZ2-CG2 3.53Å; W849-I873 HydrophobicContact CZ3-CD1 4.42Å; L852-I873 HydrophobicContact CD1-CD1 4.44Å; S869-I873 WeakPolarHBondContact O-CD1 3.35Å; S869-I873 VanDerWaalsContact O-CG1 3.29Å; S869-I873 WeakPolarHBondContact O-CG1 3.29Å; S869-I873 PolarHBondContact O-N 3.23Å; S869-I873 VanDerWaalsContact O-N 3.08Å; V870-I873 PolarHBondContact O-N 3.1Å; V870-I873 VanDerWaalsContact O-N 3.17Å; A871-I873 VanDerWaalsContact C-N 3.28Å; A871-I873 PolarHBondContact O-N 2.98Å; I873-R876 PolarHBondContact O-N 3.06Å; I873-H877 PolarHBondContact O-N 2.9Å; I873-P910 HydrophobicContact CD1-CG 4.07Å
874	L	85	Confident	76.4	Confident	15 Å²	15	51.8 Å²	51.8	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-65.9	-45.5	-178.3	-169.2	76.1	0	0	0	111.5	I708 E711 I712 L715 V870 A871 R876 H877 V878	I708-L874 HydrophobicContact CG2-CD2 4.15Å; E711-L874 HydrophobicContact CB-CD1 4.47Å; E711-L874 HydrophobicContact CB-CD2 3.64Å; I712-L874 HydrophobicContact CD1-CD2 4.37Å; I712-L874 HydrophobicContact CG1-CD2 3.55Å; L715-L874 HydrophobicContact CD1-CD1 4.21Å; V870-L874 WeakPolarHBondContact O-CB 3.34Å; V870-L874 PolarHBondContact O-N 3.26Å; A871-L874 PolarHBondContact O-N 3.22Å; L874-R876 VanDerWaalsContact C-N 3.29Å; L874-R876 PolarHBondContact O-N 3.13Å; L874-H877 WeakPolarHBondContact O-CA 3.44Å; L874-H877 WeakPolarHBondContact O-CB 3.37Å; L874-H877 PolarHBondContact O-N 3.15Å; L874-H877 VanDerWaalsContact O-N 3.08Å; L874-V878 HydrophobicContact CG-CG2 4.47Å; L874-V878 WeakPolarHBondContact O-CG2 3.24Å; L874-V878 PolarHBondContact O-N 3.24Å
875	C	85.5	Confident	74.5	Confident	1.75 Å²	1.75	56.5 Å²	56.5	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-61.7	-38.4	178.4	-62.4	0	0	0	0	111.2	C661 A871 V878 M879	C661-C875 HydrophobicContact CB-CB 3.85Å; C661-C875 VanDerWaalsContact CB-SG 3.5Å; C661-C875 WeakPolarHBondContact CB-SG 3.26Å; C661-C875 VanDerWaalsContact SG-SG 3.61Å; A871-C875 VanDerWaalsContact O-CB 3.24Å; A871-C875 WeakPolarHBondContact O-CB 3.38Å; A871-C875 PolarHBondContact O-N 3.05Å; A871-C875 PolarHBondContact O-SG 3.18Å; C875-V878 PolarHBondContact O-N 3.32Å; C875-M879 HydrophobicContact CB-CE 4.37Å; C875-M879 WeakPolarHBondContact O-CB 3.33Å; C875-M879 VanDerWaalsContact O-CE 3.29Å; C875-M879 WeakPolarHBondContact O-CE 3.39Å; C875-M879 VanDerWaalsContact O-CG 3.29Å; C875-M879 WeakPolarHBondContact O-CG 3.41Å; C875-M879 PolarHBondContact O-N 3.21Å
876	R	83.5	Confident	72.5	Confident	130.75 Å²	130.75	59.8 Å²	59.8	49%	0.493	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-37	172.2	-97.9	-175.4	-70.4	-153.4	-3.6	112.9	S872 I873 L874 M879 N880	S872-R876 VanDerWaalsContact O-CB 3.27Å; S872-R876 WeakPolarHBondContact O-CB 3.25Å; S872-R876 VanDerWaalsContact O-CG 3.27Å; S872-R876 WeakPolarHBondContact O-CG 3.44Å; S872-R876 PolarHBondContact O-N 3Å; S872-R876 PolarHBondContact O-NE 3.3Å; S872-R876 PolarHBondContact O-NH1 3.46Å; S872-R876 PolarHBondContact O-NH2 3.26Å; S872-R876 PolarHBondContact OG-NH2 3.1Å; S872-R876 VanDerWaalsContact OG-NH2 3.1Å; I873-R876 PolarHBondContact O-N 3.06Å; L874-R876 VanDerWaalsContact C-N 3.29Å; L874-R876 PolarHBondContact O-N 3.13Å; R876-M879 HydrophobicContact CG-CE 4.2Å; R876-M879 PolarHBondContact O-N 2.9Å; R876-N880 WeakPolarHBondContact O-CB 3.29Å; R876-N880 VanDerWaalsContact O-CG 3.26Å; R876-N880 PolarHBondContact O-N 3.01Å; R876-N880 VanDerWaalsContact O-N 3.15Å; R876-N880 PolarHBondContact O-ND2 3.08Å
877	H	82.2	Confident	70.4	Confident	93.25 Å²	93.25	61.2 Å²	61.2	43%	0.432	32%	0.319	S	S	.	.	H	α-helix	trans	-63.6	-47.2	173.8	-178.4	81.7	0	0	0	111.5	I873 L874 M879 N880 K881	I873-H877 PolarHBondContact O-N 2.9Å; L874-H877 WeakPolarHBondContact O-CA 3.44Å; L874-H877 WeakPolarHBondContact O-CB 3.37Å; L874-H877 PolarHBondContact O-N 3.15Å; L874-H877 VanDerWaalsContact O-N 3.08Å; H877-M879 PolarHBondContact O-N 3.32Å; H877-N880 PolarHBondContact O-N 3.17Å; H877-K881 VanDerWaalsContact O-CB 3.29Å; H877-K881 WeakPolarHBondContact O-CB 3.36Å; H877-K881 PolarHBondContact O-N 3.1Å
878	V	80.7	Confident	68.1	Low	21 Å²	21	63 Å²	63	13%	0.127	34%	0.339	C	S	.	.	H	α-helix	trans	-59.7	-47.1	177.7	172.4	0	0	0	0	111.3	Y664 I708 L874 C875 N880 K881	Y664-V878 HydrophobicContact CD1-CG1 4.39Å; Y664-V878 HydrophobicContact CE1-CG1 4.47Å; I708-V878 HydrophobicContact CD1-CB 4.5Å; I708-V878 HydrophobicContact CD1-CG1 4Å; I708-V878 HydrophobicContact CD1-CG2 4Å; I708-V878 HydrophobicContact CG1-CG2 4.48Å; L874-V878 HydrophobicContact CG-CG2 4.47Å; L874-V878 WeakPolarHBondContact O-CG2 3.24Å; L874-V878 PolarHBondContact O-N 3.24Å; C875-V878 PolarHBondContact O-N 3.32Å; V878-N880 VanDerWaalsContact C-N 3.34Å; V878-N880 PolarHBondContact O-N 3.28Å; V878-K881 PolarHBondContact O-N 3.13Å
879	M	79.6	Confident	66	Low	47.75 Å²	47.75	68.2 Å²	68.2	24%	0.235	36%	0.364	C	S	.	.	H	α-helix	trans	-62.8	-36.5	177.2	-72.2	-175.2	-72.6	0	0	113	T660 Y664 C875 R876 H877 N883	T660-M879 HydrophobicContact CG2-SD 4.34Å; Y664-M879 HydrophobicContact CD1-CG 3.89Å; Y664-M879 HydrophobicContact CD2-CG 4.28Å; Y664-M879 HydrophobicContact CE1-CB 4.44Å; Y664-M879 HydrophobicContact CE1-CG 4.2Å; Y664-M879 HydrophobicContact CE2-CG 4.41Å; Y664-M879 HydrophobicContact CG-CG 3.92Å; Y664-M879 PolarHBondContact OH-O 3.26Å; C875-M879 HydrophobicContact CB-CE 4.37Å; C875-M879 WeakPolarHBondContact O-CB 3.33Å; C875-M879 VanDerWaalsContact O-CE 3.29Å; C875-M879 WeakPolarHBondContact O-CE 3.39Å; C875-M879 VanDerWaalsContact O-CG 3.29Å; C875-M879 WeakPolarHBondContact O-CG 3.41Å; C875-M879 PolarHBondContact O-N 3.21Å; R876-M879 HydrophobicContact CG-CE 4.2Å; R876-M879 PolarHBondContact O-N 2.9Å; H877-M879 PolarHBondContact O-N 3.32Å; M879-N883 PolarHBondContact O-ND2 3.2Å; M879-N883 VanDerWaalsContact O-ND2 3.1Å; M879-N883 PolarHBondContact O-OD1 2.92Å
880	N	76.8	Confident	63.8	Low	107.75 Å²	107.75	73 Å²	73	58%	0.576	39%	0.387	S	S	*	.	H	α-helix	trans	-78	-34.1	179.7	-93.8	-1.6	0	0	0	113.3	R876 H877 V878 N882 N883 S884	R876-N880 WeakPolarHBondContact O-CB 3.29Å; R876-N880 VanDerWaalsContact O-CG 3.26Å; R876-N880 PolarHBondContact O-N 3.01Å; R876-N880 VanDerWaalsContact O-N 3.15Å; R876-N880 PolarHBondContact O-ND2 3.08Å; H877-N880 PolarHBondContact O-N 3.17Å; V878-N880 VanDerWaalsContact C-N 3.34Å; V878-N880 PolarHBondContact O-N 3.28Å; N880-N882 VanDerWaalsContact C-N 3.35Å; N880-N882 PolarHBondContact O-N 3.12Å; N880-N883 PolarHBondContact O-N 3.13Å; N880-S884 PolarHBondContact O-N 3.15Å
881	K	66.5	Low	61.4	Low	113.25 Å²	113.25	79.8 Å²	79.8	49%	0.492	42%	0.415	S	S	.	.	H	α-helix	trans	-62.6	-41.3	-174.5	-173.9	174.6	-178.4	175.3	0	112.6	H877 V878 S884 L885	H877-K881 VanDerWaalsContact O-CB 3.29Å; H877-K881 WeakPolarHBondContact O-CB 3.36Å; H877-K881 PolarHBondContact O-N 3.1Å; V878-K881 PolarHBondContact O-N 3.13Å; K881-S884 PolarHBondContact O-N 3.36Å; K881-S884 PolarHBondContact O-OG 3.04Å; K881-L885 PolarHBondContact O-N 3.05Å
882	N	55	Low	58.8	Low	57.25 Å²	57.25	86.8 Å²	86.8	31%	0.306	45%	0.452	S	S	.	.	H	α-helix	trans	-75.3	-30.6	-179.5	-68.4	0.7	0	0	0	112.3	Y664 N668 N880 S884 L885 L886	Y664-N882 HydrophobicContact CE1-CB 4.29Å; Y664-N882 VanDerWaalsContact OH-CB 3.29Å; Y664-N882 WeakPolarHBondContact OH-CB 3.41Å; N668-N882 PolarHBondContact ND2-ND2 3.08Å; N880-N882 VanDerWaalsContact C-N 3.35Å; N880-N882 PolarHBondContact O-N 3.12Å; N882-S884 VanDerWaalsContact C-N 3.28Å; N882-S884 PolarHBondContact O-N 3.03Å; N882-L885 WeakPolarHBondContact O-CA 3.45Å; N882-L885 WeakPolarHBondContact O-CB 3.44Å; N882-L885 PolarHBondContact O-N 3.33Å; N882-L886 WeakPolarHBondContact O-CD1 3.32Å; N882-L886 PolarHBondContact O-N 3.19Å; N882-L886 VanDerWaalsContact O-N 3.11Å
883	N	49.1	Very low	56.4	Low	93.5 Å²	93.5	93.2 Å²	93.2	50%	0.5	49%	0.485	S	S	.	.	H	α-helix	trans	-61.9	-39.5	174.4	-68.9	-9.9	0	0	0	111.7	Y664 M879 N880 L885 L886 D887	Y664-N883 PolarHBondContact OH-OD1 3.17Å; M879-N883 PolarHBondContact O-ND2 3.2Å; M879-N883 VanDerWaalsContact O-ND2 3.1Å; M879-N883 PolarHBondContact O-OD1 2.92Å; N880-N883 PolarHBondContact O-N 3.13Å; N883-L885 VanDerWaalsContact C-N 3.26Å; N883-L885 PolarHBondContact O-N 3.09Å; N883-L886 PolarHBondContact O-N 3Å; N883-D887 PolarHBondContact O-N 3.22Å; N883-D887 VanDerWaalsContact O-N 3.12Å
884	S	42.1	Very low	53.8	Low	80.25 Å²	80.25	94.1 Å²	94.1	56%	0.561	50%	0.498	S	S	*	.	H	α-helix	trans	-70.4	-19.1	177.3	68.7	0	0	0	0	114.3	N880 K881 N882 L886 D887 G888	N880-S884 PolarHBondContact O-N 3.15Å; K881-S884 PolarHBondContact O-N 3.36Å; K881-S884 PolarHBondContact O-OG 3.04Å; N882-S884 VanDerWaalsContact C-N 3.28Å; N882-S884 PolarHBondContact O-N 3.03Å; S884-L886 VanDerWaalsContact C-N 3.26Å; S884-L886 PolarHBondContact O-N 3.09Å; S884-D887 PolarHBondContact O-N 3.14Å; S884-G888 PolarHBondContact O-N 3.25Å
885	L	39.4	Very low	51	Low	103 Å²	103	101 Å²	101	54%	0.539	54%	0.535	S	S	.	.	H	α-helix	trans	-81.2	-31.4	179.2	-133.1	157.3	0	0	0	111.6	K881 N882 N883 D887 G888 I889	K881-L885 PolarHBondContact O-N 3.05Å; N882-L885 WeakPolarHBondContact O-CA 3.45Å; N882-L885 WeakPolarHBondContact O-CB 3.44Å; N882-L885 PolarHBondContact O-N 3.33Å; N883-L885 VanDerWaalsContact C-N 3.26Å; N883-L885 PolarHBondContact O-N 3.09Å; L885-D887 VanDerWaalsContact C-N 3.26Å; L885-D887 PolarHBondContact O-N 2.92Å; L885-G888 PolarHBondContact O-N 3.08Å; L885-G888 VanDerWaalsContact O-N 3.14Å; L885-I889 HydrophobicContact CD2-CD1 4.05Å; L885-I889 HydrophobicContact CD2-CG1 4.42Å; L885-I889 WeakPolarHBondContact O-CG1 3.15Å; L885-I889 PolarHBondContact O-N 3.16Å
886	L	35	Very low	48.3	Very low	122.75 Å²	122.75	106.9 Å²	106.9	64%	0.643	57%	0.571	S	S	*	*	H	α-helix	trans	-65.8	-37.8	171.1	-92.8	98.8	0	0	0	112.2	N882 N883 S884 G888 I889	N882-L886 WeakPolarHBondContact O-CD1 3.32Å; N882-L886 PolarHBondContact O-N 3.19Å; N882-L886 VanDerWaalsContact O-N 3.11Å; N883-L886 PolarHBondContact O-N 3Å; S884-L886 VanDerWaalsContact C-N 3.26Å; S884-L886 PolarHBondContact O-N 3.09Å; L886-G888 VanDerWaalsContact C-N 3.3Å; L886-G888 PolarHBondContact O-N 3.41Å; L886-I889 PolarHBondContact O-N 3.11Å; L886-I889 VanDerWaalsContact O-N 3.14Å
887	D	34.4	Very low	45.5	Very low	126.25 Å²	126.25	112.3 Å²	112.3	68%	0.675	59%	0.592	S	S	*	*	H	α-helix	trans	-71.3	-10.7	176.1	-94.7	-17.6	0	0	0	113.7	N883 S884 L885 K891	N883-D887 PolarHBondContact O-N 3.22Å; N883-D887 VanDerWaalsContact O-N 3.12Å; S884-D887 PolarHBondContact O-N 3.14Å; L885-D887 VanDerWaalsContact C-N 3.26Å; L885-D887 PolarHBondContact O-N 2.92Å; D887-K891 WeakPolarHBondContact O-CD 3.32Å; D887-K891 PolarHBondContact O-NZ 3.24Å; D887-K891 IonicContact OD1-NZ 2.84Å; D887-K891 PolarHBondContact OD1-NZ 2.59Å
888	G	33.8	Very low	42.9	Very low	41.25 Å²	41.25	114.8 Å²	114.8	43%	0.425	61%	0.607	S	S	.	*	H	α-helix	trans	-90.6	-23.9	-177.2	0	0	0	0	0	115.3	S884 L885 L886 D890 K891 N892	S884-G888 PolarHBondContact O-N 3.25Å; L885-G888 PolarHBondContact O-N 3.08Å; L885-G888 VanDerWaalsContact O-N 3.14Å; L886-G888 VanDerWaalsContact C-N 3.3Å; L886-G888 PolarHBondContact O-N 3.41Å; G888-D890 VanDerWaalsContact C-N 3.34Å; G888-D890 PolarHBondContact O-N 2.67Å; G888-K891 PolarHBondContact O-N 3.16Å; G888-N892 PolarHBondContact O-ND2 2.8Å
889	I	39	Very low	40.3	Very low	119.25 Å²	119.25	121.3 Å²	121.3	61%	0.612	64%	0.635	S	S	*	*	H	α-helix	trans	-78.9	-27.9	-168.2	-69	171.5	0	0	0	112.6	L885 L886 K891 N892	L885-I889 HydrophobicContact CD2-CD1 4.05Å; L885-I889 HydrophobicContact CD2-CG1 4.42Å; L885-I889 WeakPolarHBondContact O-CG1 3.15Å; L885-I889 PolarHBondContact O-N 3.16Å; L886-I889 PolarHBondContact O-N 3.11Å; L886-I889 VanDerWaalsContact O-N 3.14Å; I889-K891 VanDerWaalsContact C-N 3.28Å; I889-K891 PolarHBondContact O-N 3.18Å; I889-N892 PolarHBondContact O-N 2.86Å; I889-N892 PolarHBondContact O-ND2 3.36Å
890	D	34.9	Very low	37.8	Very low	139.5 Å²	139.5	125.8 Å²	125.8	75%	0.746	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	6.6	-177.9	-75.9	-13.9	0	0	0	115.1	G888 R902	G888-D890 VanDerWaalsContact C-N 3.34Å; G888-D890 PolarHBondContact O-N 2.67Å; D890-R902 IonicContact OD1-NH2 2.58Å; D890-R902 PolarHBondContact OD1-NH2 2.94Å; D890-R902 IonicContact OD2-CZ 3.59Å; D890-R902 VanDerWaalsContact OD2-CZ 3.25Å; D890-R902 IonicContact OD2-NH1 2.67Å; D890-R902 PolarHBondContact OD2-NH1 2.8Å; D890-R902 IonicContact OD2-NH2 2.77Å; D890-R902 PolarHBondContact OD2-NH2 2.89Å
891	K	34.6	Very low	35.5	Very low	160 Å²	160	124 Å²	124	70%	0.696	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	9.2	-177	-72.4	-178.4	179.9	137.8	0	115.2	D887 G888 I889 N893	D887-K891 WeakPolarHBondContact O-CD 3.32Å; D887-K891 PolarHBondContact O-NZ 3.24Å; D887-K891 IonicContact OD1-NZ 2.84Å; D887-K891 PolarHBondContact OD1-NZ 2.59Å; G888-K891 PolarHBondContact O-N 3.16Å; I889-K891 VanDerWaalsContact C-N 3.28Å; I889-K891 PolarHBondContact O-N 3.18Å; K891-N893 VanDerWaalsContact C-N 3.32Å; K891-N893 PolarHBondContact O-N 2.89Å
892	N	31.5	Very low	33.5	Very low	145.75 Å²	145.75	128.9 Å²	128.9	78%	0.779	68%	0.683	S	S	*	*	S	Bend	trans	-90.1	13.5	178.5	-78.5	-22	0	0	0	114.2	G888 I889	G888-N892 PolarHBondContact O-ND2 2.8Å; I889-N892 PolarHBondContact O-N 2.86Å; I889-N892 PolarHBondContact O-ND2 3.36Å
893	N	31	Very low	32.1	Very low	156.75 Å²	156.75	134.2 Å²	134.2	84%	0.838	71%	0.706	S	S	*	*			trans	-122.7	74.1	174.1	-93.3	-22.5	0	0	0	112.9	K891	K891-N893 VanDerWaalsContact C-N 3.32Å; K891-N893 PolarHBondContact O-N 2.89Å
894	S	29.7	Very low	31.1	Very low	99.75 Å²	99.75	136.6 Å²	136.6	70%	0.698	72%	0.718	S	S	*	*			trans	-122.7	117.9	156.7	58.3	0	0	0	0	114.2	T896	S894-T896 PolarHBondContact O-N 3.19Å; S894-T896 VanDerWaalsContact O-N 3.13Å
895	N	26.8	Very low	30.4	Very low	160 Å²	160	140.1 Å²	140.1	86%	0.856	73%	0.73	S	S	*	*			trans	-7.3	86.1	159.1	-65.3	-42	0	0	0	114.7
896	T	28.3	Very low	29.7	Very low	125.5 Å²	125.5	141.9 Å²	141.9	77%	0.77	74%	0.739	S	S	*	*			trans	-155	129.5	144.1	30.9	0	0	0	0	112	S894 I898	S894-T896 PolarHBondContact O-N 3.19Å; S894-T896 VanDerWaalsContact O-N 3.13Å; T896-I898 PolarHBondContact O-N 3.46Å
897	R	25.4	Very low	29.4	Very low	244 Å²	244	142 Å²	142	92%	0.921	74%	0.74	S	S	*	*			trans	-5.3	82.6	167.4	-87.2	-176.7	-171.7	171	0.6	113.2	H899	R897-H899 PolarHBondContact O-N 3.09Å
898	I	27.6	Very low	29	Very low	146.25 Å²	146.25	143.2 Å²	143.2	75%	0.75	74%	0.741	S	S	*	*			trans	-81.6	119.3	152.2	-60.8	169.6	0	0	0	108.7	T896 N900	T896-I898 PolarHBondContact O-N 3.46Å; I898-N900 VanDerWaalsContact C-N 3.3Å; I898-N900 PolarHBondContact O-N 3.3Å
899	H	26.8	Very low	28.7	Very low	156.75 Å²	156.75	146 Å²	146	73%	0.726	75%	0.746	S	S	*	*			trans	-120.8	129.9	144.8	-95.2	-94.3	0	0	0	111.7	R897	R897-H899 PolarHBondContact O-N 3.09Å
900	N	27	Very low	28.1	Very low	142 Å²	142	144.3 Å²	144.3	76%	0.759	74%	0.742	S	S	*	*			trans	114.1	116.5	149.8	-71.1	-5.6	0	0	0	114.5	I898 R902	I898-N900 VanDerWaalsContact C-N 3.3Å; I898-N900 PolarHBondContact O-N 3.3Å; N900-R902 PolarHBondContact O-N 3.3Å
901	G	27	Very low	27.8	Very low	71 Å²	71	143 Å²	143	73%	0.732	74%	0.735	S	S	*	*			trans	-174.8	36.6	166.3	0	0	0	0	0	116.4	H903	G901-H903 VanDerWaalsContact C-N 3.33Å; G901-H903 PolarHBondContact O-N 3.25Å
902	R	24.7	Very low	27.5	Very low	216.75 Å²	216.75	139.9 Å²	139.9	82%	0.818	73%	0.733	S	S	*	*			trans	-70	107.5	169.3	-86.9	-177.5	170.4	156.1	-2.8	109.8	D890 N900 N904	D890-R902 IonicContact OD1-NH2 2.58Å; D890-R902 PolarHBondContact OD1-NH2 2.94Å; D890-R902 IonicContact OD2-CZ 3.59Å; D890-R902 VanDerWaalsContact OD2-CZ 3.25Å; D890-R902 IonicContact OD2-NH1 2.67Å; D890-R902 PolarHBondContact OD2-NH1 2.8Å; D890-R902 IonicContact OD2-NH2 2.77Å; D890-R902 PolarHBondContact OD2-NH2 2.89Å; N900-R902 PolarHBondContact O-N 3.3Å; R902-N904 PolarHBondContact O-N 2.97Å
903	H	26.4	Very low	27.5	Very low	167 Å²	167	141 Å²	141	77%	0.773	73%	0.731	S	S	*	*			trans	-81.3	117	164	-73.7	-78.6	0	0	0	110.9	G901 I905	G901-H903 VanDerWaalsContact C-N 3.33Å; G901-H903 PolarHBondContact O-N 3.25Å; H903-I905 VanDerWaalsContact C-N 3.34Å; H903-I905 HydrophobicContact CB-CG1 4.08Å; H903-I905 PolarHBondContact O-N 2.83Å
904	N	27	Very low	27.4	Very low	144.25 Å²	144.25	138.3 Å²	138.3	77%	0.771	72%	0.716	S	S	*	*			trans	0.4	87.7	160.7	-63.3	-12.9	0	0	0	112	R902 L906	R902-N904 PolarHBondContact O-N 2.97Å; N904-L906 PolarHBondContact O-N 3.12Å
905	I	28.5	Very low	27.3	Very low	154.75 Å²	154.75	140.4 Å²	140.4	79%	0.794	71%	0.713	S	S	*	*			trans	-62.9	79.7	135.8	-53.7	176.6	0	0	0	107.5	H903 L907	H903-I905 VanDerWaalsContact C-N 3.34Å; H903-I905 HydrophobicContact CB-CG1 4.08Å; H903-I905 PolarHBondContact O-N 2.83Å; I905-L907 VanDerWaalsContact C-N 3.31Å; I905-L907 HydrophobicContact CG2-CD1 4.16Å; I905-L907 PolarHBondContact O-N 3.07Å
906	L	24.8	Very low	27.3	Very low	140.75 Å²	140.75	140.8 Å²	140.8	74%	0.737	71%	0.71	S	S	*	*			trans	-85.7	121.6	161	-140.5	147.9	0	0	0	107.6	N904 E908	N904-L906 PolarHBondContact O-N 3.12Å; L906-E908 HydrophobicContact CB-CG 3.84Å; L906-E908 HydrophobicContact CD2-CG 4.03Å; L906-E908 PolarHBondContact O-N 2.94Å
907	L	27.8	Very low	27.1	Very low	125 Å²	125	138.3 Å²	138.3	65%	0.654	70%	0.697	S	S	*	*			trans	-68	92.8	174.1	-109.6	71	0	0	0	109	Y664 I905 L909	Y664-L907 HydrophobicContact CD2-CD2 4.23Å; I905-L907 VanDerWaalsContact C-N 3.31Å; I905-L907 HydrophobicContact CG2-CD1 4.16Å; I905-L907 PolarHBondContact O-N 3.07Å; L907-L909 VanDerWaalsContact C-N 3.28Å; L907-L909 HydrophobicContact CB-CD1 3.83Å; L907-L909 HydrophobicContact CD1-CD1 4.48Å; L907-L909 HydrophobicContact CD2-CD1 3.73Å; L907-L909 HydrophobicContact CG-CD1 3.76Å; L907-L909 PolarHBondContact O-N 2.98Å
908	E	26.4	Very low	27.1	Very low	151.25 Å²	151.25	131.9 Å²	131.9	71%	0.707	69%	0.685	S	S	*	*			trans	-81.7	76.3	161.6	-71.6	-163.9	162.2	0	0	109.1	R579 L906 P910	R579-E908 IonicContact CZ-OE2 2.82Å; R579-E908 IonicContact NH1-OE2 3.47Å; R579-E908 PolarHBondContact NH1-OE2 3.47Å; R579-E908 IonicContact NH2-OE2 3.73Å; R579-E908 PolarHBondContact NH2-OE2 2.88Å; L906-E908 HydrophobicContact CB-CG 3.84Å; L906-E908 HydrophobicContact CD2-CG 4.03Å; L906-E908 PolarHBondContact O-N 2.94Å; E908-P910 WeakPolarHBondContact O-CD 3.25Å
909	L	28	Very low	27	Very low	100.5 Å²	100.5	131.7 Å²	131.7	53%	0.526	69%	0.685	S	S	.	*			trans	-62.9	131.9	155.6	-100	78.3	0	0	0	107.4	T660 L907 L911	T660-L909 HydrophobicContact CG2-CD2 3.87Å; L907-L909 VanDerWaalsContact C-N 3.28Å; L907-L909 HydrophobicContact CB-CD1 3.83Å; L907-L909 HydrophobicContact CD1-CD1 4.48Å; L907-L909 HydrophobicContact CD2-CD1 3.73Å; L907-L909 HydrophobicContact CG-CD1 3.76Å; L907-L909 PolarHBondContact O-N 2.98Å; L909-L911 VanDerWaalsContact C-N 3.28Å; L909-L911 HydrophobicContact CB-CD1 4.19Å; L909-L911 HydrophobicContact CB-CG 4.19Å; L909-L911 PolarHBondContact O-N 3.25Å
910	P	27.1	Very low	27	Very low	82 Å²	82	131.7 Å²	131.7	53%	0.532	69%	0.69	S	S	.	*			trans	-67.4	91.7	173.2	17.7	-18.7	0	0	0	110	I873 E908 S912 F913	I873-P910 HydrophobicContact CD1-CG 4.07Å; E908-P910 WeakPolarHBondContact O-CD 3.25Å; P910-S912 PolarHBondContact O-N 3.15Å; P910-S912 VanDerWaalsContact O-N 3.15Å; P910-F913 HydrophobicContact CB-CB 4.47Å; P910-F913 HydrophobicContact CG-CB 4.35Å; P910-F913 HydrophobicContact CG-CD2 4.29Å; P910-F913 PolarHBondContact O-N 3.26Å
911	L	28.7	Very low	27.1	Very low	113 Å²	113	132.9 Å²	132.9	59%	0.592	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-57.7	-13.4	173.8	-91.7	157.2	0	0	0	113.2	L838 L909 F913 L914 F915	L838-L911 HydrophobicContact CD1-CD2 4.37Å; L838-L911 HydrophobicContact CD2-CD2 3.34Å; L838-L911 HydrophobicContact CG-CD2 3.92Å; L909-L911 VanDerWaalsContact C-N 3.28Å; L909-L911 HydrophobicContact CB-CD1 4.19Å; L909-L911 HydrophobicContact CB-CG 4.19Å; L909-L911 PolarHBondContact O-N 3.25Å; L911-F913 VanDerWaalsContact C-N 3.31Å; L911-F913 PolarHBondContact O-N 3.22Å; L911-L914 HydrophobicContact CD2-CD1 3.99Å; L911-L914 WeakPolarHBondContact O-CB 3.37Å; L911-L914 PolarHBondContact O-N 3.13Å; L911-F915 HydrophobicContact CD2-CE2 4.21Å; L911-F915 WeakPolarHBondContact O-CD2 3.3Å
912	S	28.4	Very low	27.2	Very low	94 Å²	94	135.6 Å²	135.6	66%	0.657	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-68.8	-7.8	173.7	60.1	0	0	0	0	114.9	P910 L914	P910-S912 PolarHBondContact O-N 3.15Å; P910-S912 VanDerWaalsContact O-N 3.15Å; S912-L914 VanDerWaalsContact C-N 3.31Å; S912-L914 PolarHBondContact O-N 3Å
913	F	31.3	Very low	27.5	Very low	169.75 Å²	169.75	133.1 Å²	133.1	75%	0.745	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-93.4	-10.5	177.1	-115.4	-83.7	0	0	0	114.3	P910 L911 F915	P910-F913 HydrophobicContact CB-CB 4.47Å; P910-F913 HydrophobicContact CG-CB 4.35Å; P910-F913 HydrophobicContact CG-CD2 4.29Å; P910-F913 PolarHBondContact O-N 3.26Å; L911-F913 VanDerWaalsContact C-N 3.31Å; L911-F913 PolarHBondContact O-N 3.22Å; F913-F915 VanDerWaalsContact C-N 3.32Å; F913-F915 PolarHBondContact O-N 3.34Å
914	L	28.9	Very low	27.8	Very low	99 Å²	99	133.3 Å²	133.3	52%	0.518	68%	0.677	S	S	.	*	S	Bend	trans	-88.2	-6.4	179.3	-79.2	166.4	0	0	0	114.1	L838 S869 L911 S912	L838-L914 HydrophobicContact CD2-CD1 4.24Å; S869-L914 VanDerWaalsContact OG-CD2 3.24Å; S869-L914 WeakPolarHBondContact OG-CD2 3.4Å; L911-L914 HydrophobicContact CD2-CD1 3.99Å; L911-L914 WeakPolarHBondContact O-CB 3.37Å; L911-L914 PolarHBondContact O-N 3.13Å; S912-L914 VanDerWaalsContact C-N 3.31Å; S912-L914 PolarHBondContact O-N 3Å
915	F	26.8	Very low	27.9	Very low	144.25 Å²	144.25	132.6 Å²	132.6	63%	0.633	67%	0.669	S	S	*	*			trans	-129	77.2	-175.7	-68.9	-78.6	0	0	0	112.9	L911 F913 S917	L911-F915 HydrophobicContact CD2-CE2 4.21Å; L911-F915 WeakPolarHBondContact O-CD2 3.3Å; F913-F915 VanDerWaalsContact C-N 3.32Å; F913-F915 PolarHBondContact O-N 3.34Å; F915-S917 VanDerWaalsContact C-N 3.3Å; F915-S917 PolarHBondContact O-N 3.3Å
916	H	26.1	Very low	28.1	Very low	169.75 Å²	169.75	133.4 Å²	133.4	79%	0.786	66%	0.663	S	S	*	*			trans	-127.4	87.2	157	-107	-64.8	0	0	0	115.5	T918	H916-T918 PolarHBondContact ND1-O 2.87Å
917	S	25.2	Very low	28.5	Very low	72.75 Å²	72.75	133.9 Å²	133.9	51%	0.509	66%	0.659	S	S	.	*	S	Bend	trans	-86.4	127.3	149.6	57.3	0	0	0	0	111.2	F915	F915-S917 VanDerWaalsContact C-N 3.3Å; F915-S917 PolarHBondContact O-N 3.3Å
918	T	25	Very low	28.7	Very low	109.5 Å²	109.5	133.4 Å²	133.4	67%	0.672	65%	0.653	S	S	*	*	S	Bend	trans	69.4	107.4	167.7	60.5	0	0	0	0	115.6	H916 D920	H916-T918 PolarHBondContact ND1-O 2.87Å; T918-D920 PolarHBondContact O-N 2.8Å
919	L	26	Very low	28.8	Very low	141.75 Å²	141.75	133.1 Å²	133.1	74%	0.742	65%	0.65	S	S	*	*			trans	-179.4	92.4	158	-113.8	117.9	0	0	0	113.7	H921	L919-H921 PolarHBondContact O-N 3.06Å; L919-H921 VanDerWaalsContact O-N 3.11Å
920	D	26.2	Very low	29	Very low	156.75 Å²	156.75	137.5 Å²	137.5	84%	0.838	66%	0.659	S	S	*	*			trans	-81.7	82.4	169.9	-75.7	-58.4	0	0	0	112.5	T918 H922	T918-D920 PolarHBondContact O-N 2.8Å; D920-H922 VanDerWaalsContact C-N 3.25Å; D920-H922 PolarHBondContact O-N 3.37Å
921	H	29.4	Very low	29.3	Very low	167 Å²	167	139.8 Å²	139.8	77%	0.773	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	-4.7	177.8	-106.2	-19.5	0	0	0	115.4	L919 H923 Y924	L919-H921 PolarHBondContact O-N 3.06Å; L919-H921 VanDerWaalsContact O-N 3.11Å; H921-H923 PolarHBondContact O-N 3.07Å; H921-Y924 WeakPolarHBondContact O-CB 3.44Å; H921-Y924 PolarHBondContact O-N 3.38Å
922	H	28.8	Very low	29.5	Very low	128.25 Å²	128.25	140.6 Å²	140.6	59%	0.594	67%	0.667	S	S	*	*	H	α-helix	trans	-83.2	-2.9	-173.7	-86.7	-72.1	0	0	0	115.7	D920 Y924 Q925 Y926	D920-H922 VanDerWaalsContact C-N 3.25Å; D920-H922 PolarHBondContact O-N 3.37Å; H922-Y924 VanDerWaalsContact C-N 3.33Å; H922-Y924 PolarHBondContact O-N 3.1Å; H922-Q925 PolarHBondContact CE1-OE1 3.49Å; H922-Q925 PolarHBondContact ND1-OE1 2.86Å; H922-Q925 PolarHBondContact O-N 3.18Å; H922-Y926 PolarHBondContact O-N 2.83Å
923	H	32.1	Very low	29.5	Very low	164.5 Å²	164.5	141.9 Å²	141.9	76%	0.762	67%	0.666	S	S	*	*	H	α-helix	trans	-69.6	-14	177.1	-144.4	75.6	0	0	0	113.6	H921 K927	H921-H923 PolarHBondContact O-N 3.07Å; H923-K927 WeakPolarHBondContact O-CB 3.32Å; H923-K927 PolarHBondContact O-N 2.9Å
924	Y	31.1	Very low	29.5	Very low	170.75 Å²	170.75	140.7 Å²	140.7	67%	0.67	66%	0.663	S	S	*	*	H	α-helix	trans	-78.3	-38.2	177.4	-132.8	-90.9	0	0	0	113.3	H921 H922 Y926 K927 Q928	H921-Y924 WeakPolarHBondContact O-CB 3.44Å; H921-Y924 PolarHBondContact O-N 3.38Å; H922-Y924 VanDerWaalsContact C-N 3.33Å; H922-Y924 PolarHBondContact O-N 3.1Å; Y924-Y926 PolarHBondContact O-N 3.14Å; Y924-K927 WeakPolarHBondContact O-CB 3.44Å; Y924-K927 PolarHBondContact O-N 3.36Å; Y924-K927 VanDerWaalsContact O-N 3.07Å; Y924-Q928 HydrophobicContact CD1-CG 4.39Å; Y924-Q928 WeakPolarHBondContact O-CG 3.43Å; Y924-Q928 PolarHBondContact O-N 3.06Å; Y924-Q928 VanDerWaalsContact O-N 3.09Å
925	Q	30.1	Very low	29.7	Very low	128.5 Å²	128.5	143 Å²	143	60%	0.6	67%	0.671	S	S	*	*	H	α-helix	trans	-73	-30.1	-179.6	-82.6	-173.1	-19.6	0	0	113.6	H922 K927 Q928 K929	H922-Q925 PolarHBondContact CE1-OE1 3.49Å; H922-Q925 PolarHBondContact ND1-OE1 2.86Å; H922-Q925 PolarHBondContact O-N 3.18Å; Q925-K927 VanDerWaalsContact C-N 3.3Å; Q925-K927 PolarHBondContact O-N 3.02Å; Q925-Q928 WeakPolarHBondContact O-CB 3.47Å; Q925-Q928 PolarHBondContact O-N 3.03Å; Q925-K929 WeakPolarHBondContact O-CB 3.45Å; Q925-K929 PolarHBondContact O-N 3.06Å
926	Y	32.3	Very low	29.8	Very low	172.75 Å²	172.75	144.8 Å²	144.8	68%	0.677	68%	0.678	S	S	*	*	H	α-helix	trans	-67.8	-28.2	176.7	-120.4	-79.6	0	0	0	112.5	H922 Y924 K929 R930	H922-Y926 PolarHBondContact O-N 2.83Å; Y924-Y926 PolarHBondContact O-N 3.14Å; Y926-K929 PolarHBondContact O-N 3.15Å; Y926-R930 VanDerWaalsContact O-CB 3.31Å; Y926-R930 WeakPolarHBondContact O-CB 3.14Å; Y926-R930 PolarHBondContact O-N 3.22Å; Y926-R930 VanDerWaalsContact O-N 3.15Å
927	K	32.8	Very low	30.1	Very low	150 Å²	150	144.6 Å²	144.6	65%	0.652	68%	0.678	S	S	*	*	H	α-helix	trans	-71.1	-40.5	175.5	-152.7	173.1	-175.2	179.4	0	111.7	H923 Y924 Q925 K929 R930 Q931	H923-K927 WeakPolarHBondContact O-CB 3.32Å; H923-K927 PolarHBondContact O-N 2.9Å; Y924-K927 WeakPolarHBondContact O-CB 3.44Å; Y924-K927 PolarHBondContact O-N 3.36Å; Y924-K927 VanDerWaalsContact O-N 3.07Å; Q925-K927 VanDerWaalsContact C-N 3.3Å; Q925-K927 PolarHBondContact O-N 3.02Å; K927-K929 VanDerWaalsContact C-N 3.34Å; K927-K929 PolarHBondContact O-N 3.32Å; K927-R930 WeakPolarHBondContact O-CB 3.44Å; K927-R930 PolarHBondContact O-N 3.23Å; K927-Q931 WeakPolarHBondContact O-CB 3.38Å; K927-Q931 VanDerWaalsContact O-CG 3.25Å; K927-Q931 WeakPolarHBondContact O-CG 3.37Å; K927-Q931 PolarHBondContact O-N 2.96Å; K927-Q931 VanDerWaalsContact O-N 3.1Å; K927-Q931 PolarHBondContact O-OE1 2.78Å
928	Q	32.7	Very low	30.4	Very low	114.5 Å²	114.5	148.2 Å²	148.2	54%	0.535	69%	0.686	S	S	.	*	H	α-helix	trans	-67.2	-38.4	173.4	-79.2	-178.1	-22.2	0	0	113	Y924 Q925 R930 Q931 L932	Y924-Q928 HydrophobicContact CD1-CG 4.39Å; Y924-Q928 WeakPolarHBondContact O-CG 3.43Å; Y924-Q928 PolarHBondContact O-N 3.06Å; Y924-Q928 VanDerWaalsContact O-N 3.09Å; Q925-Q928 WeakPolarHBondContact O-CB 3.47Å; Q925-Q928 PolarHBondContact O-N 3.03Å; Q928-R930 VanDerWaalsContact C-N 3.31Å; Q928-R930 PolarHBondContact O-N 3.19Å; Q928-Q931 CarbonylContact O-C 3.56Å; Q928-Q931 WeakPolarHBondContact O-CA 3.41Å; Q928-Q931 WeakPolarHBondContact O-CB 3.3Å; Q928-Q931 PolarHBondContact O-N 3.18Å; Q928-L932 WeakPolarHBondContact O-CB 3.3Å; Q928-L932 WeakPolarHBondContact O-CD1 3.41Å; Q928-L932 PolarHBondContact O-N 3.22Å
929	K	28.6	Very low	30.9	Very low	146.5 Å²	146.5	149.2 Å²	149.2	64%	0.637	69%	0.687	S	S	*	*	H	α-helix	trans	-69.6	-25.3	-179.6	-138.6	170.3	-173.2	174.9	0	113.1	Q925 Y926 K927 Q931 L932 L933	Q925-K929 WeakPolarHBondContact O-CB 3.45Å; Q925-K929 PolarHBondContact O-N 3.06Å; Y926-K929 PolarHBondContact O-N 3.15Å; K927-K929 VanDerWaalsContact C-N 3.34Å; K927-K929 PolarHBondContact O-N 3.32Å; K929-Q931 PolarHBondContact O-N 2.87Å; K929-L932 PolarHBondContact O-N 2.97Å; K929-L933 WeakPolarHBondContact O-CB 3.29Å; K929-L933 PolarHBondContact O-N 3.03Å
930	R	31.5	Very low	31.3	Very low	191.25 Å²	191.25	148.5 Å²	148.5	72%	0.722	68%	0.68	S	S	*	*	H	α-helix	trans	-70.5	-30.6	168.7	-114	-175.2	-177.1	-179	2.2	113	Y926 K927 Q928 L932 L933 H934	Y926-R930 VanDerWaalsContact O-CB 3.31Å; Y926-R930 WeakPolarHBondContact O-CB 3.14Å; Y926-R930 PolarHBondContact O-N 3.22Å; Y926-R930 VanDerWaalsContact O-N 3.15Å; K927-R930 WeakPolarHBondContact O-CB 3.44Å; K927-R930 PolarHBondContact O-N 3.23Å; Q928-R930 VanDerWaalsContact C-N 3.31Å; Q928-R930 PolarHBondContact O-N 3.19Å; R930-L932 VanDerWaalsContact C-N 3.34Å; R930-L932 PolarHBondContact O-N 3.48Å; R930-L933 PolarHBondContact O-N 2.86Å; R930-H934 WeakPolarHBondContact O-CB 3.23Å; R930-H934 PolarHBondContact O-CD2 3.28Å; R930-H934 VanDerWaalsContact O-CD2 3.25Å; R930-H934 PolarHBondContact O-N 3.17Å
931	Q	33.7	Very low	32.1	Very low	132 Å²	132	146.4 Å²	146.4	62%	0.617	67%	0.669	S	S	*	*	H	α-helix	trans	-70.1	-35.3	173.3	-72.9	171.7	-47.5	0	0	112.1	K927 Q928 K929 L933 H934 Q935	K927-Q931 WeakPolarHBondContact O-CB 3.38Å; K927-Q931 VanDerWaalsContact O-CG 3.25Å; K927-Q931 WeakPolarHBondContact O-CG 3.37Å; K927-Q931 PolarHBondContact O-N 2.96Å; K927-Q931 VanDerWaalsContact O-N 3.1Å; K927-Q931 PolarHBondContact O-OE1 2.78Å; Q928-Q931 CarbonylContact O-C 3.56Å; Q928-Q931 WeakPolarHBondContact O-CA 3.41Å; Q928-Q931 WeakPolarHBondContact O-CB 3.3Å; Q928-Q931 PolarHBondContact O-N 3.18Å; K929-Q931 PolarHBondContact O-N 2.87Å; Q931-L933 VanDerWaalsContact C-N 3.3Å; Q931-L933 PolarHBondContact O-N 3.06Å; Q931-H934 WeakPolarHBondContact O-CB 3.44Å; Q931-H934 PolarHBondContact O-N 3.17Å; Q931-Q935 VanDerWaalsContact O-CB 3.27Å; Q931-Q935 WeakPolarHBondContact O-CB 3.21Å; Q931-Q935 VanDerWaalsContact O-CG 3.26Å; Q931-Q935 WeakPolarHBondContact O-CG 3.49Å; Q931-Q935 PolarHBondContact O-N 2.92Å
932	L	31.7	Very low	32.7	Very low	129 Å²	129	144.7 Å²	144.7	68%	0.675	66%	0.661	S	S	*	*	H	α-helix	trans	-74.4	-28.7	175.7	-108.2	112.8	0	0	0	113.7	Q928 K929 R930 H934 Q935 K936	Q928-L932 WeakPolarHBondContact O-CB 3.3Å; Q928-L932 WeakPolarHBondContact O-CD1 3.41Å; Q928-L932 PolarHBondContact O-N 3.22Å; K929-L932 PolarHBondContact O-N 2.97Å; R930-L932 VanDerWaalsContact C-N 3.34Å; R930-L932 PolarHBondContact O-N 3.48Å; L932-H934 VanDerWaalsContact C-N 3.29Å; L932-H934 PolarHBondContact O-N 3.4Å; L932-Q935 WeakPolarHBondContact O-CB 3.37Å; L932-Q935 PolarHBondContact O-N 3.42Å; L932-Q935 VanDerWaalsContact O-N 3.14Å; L932-K936 PolarHBondContact O-N 3.47Å; L932-K936 VanDerWaalsContact O-N 3.15Å
933	L	29.2	Very low	33.1	Very low	120.75 Å²	120.75	145.3 Å²	145.3	63%	0.632	66%	0.664	S	S	*	*	H	α-helix	trans	-78.3	-16.2	177.1	-98.9	156.1	0	0	0	113.3	K929 R930 Q931 Q935	K929-L933 WeakPolarHBondContact O-CB 3.29Å; K929-L933 PolarHBondContact O-N 3.03Å; R930-L933 PolarHBondContact O-N 2.86Å; Q931-L933 VanDerWaalsContact C-N 3.3Å; Q931-L933 PolarHBondContact O-N 3.06Å; L933-Q935 VanDerWaalsContact C-N 3.31Å; L933-Q935 PolarHBondContact O-N 3.14Å
934	H	31.9	Very low	33.4	Very low	144.5 Å²	144.5	139.1 Å²	139.1	67%	0.669	64%	0.639	S	S	*	*	H	α-helix	trans	-75	-14.4	172.4	-89.5	-62.6	0	0	0	113.4	R930 Q931 L932 K936 H937 H938	R930-H934 WeakPolarHBondContact O-CB 3.23Å; R930-H934 PolarHBondContact O-CD2 3.28Å; R930-H934 VanDerWaalsContact O-CD2 3.25Å; R930-H934 PolarHBondContact O-N 3.17Å; Q931-H934 WeakPolarHBondContact O-CB 3.44Å; Q931-H934 PolarHBondContact O-N 3.17Å; L932-H934 VanDerWaalsContact C-N 3.29Å; L932-H934 PolarHBondContact O-N 3.4Å; H934-K936 PolarHBondContact O-N 3.07Å; H934-K936 VanDerWaalsContact O-N 3.15Å; H934-H937 PolarHBondContact O-N 3.36Å; H934-H937 VanDerWaalsContact O-N 3.16Å; H934-H938 VanDerWaalsContact O-CB 3.27Å; H934-H938 WeakPolarHBondContact O-CB 3.36Å; H934-H938 PolarHBondContact O-N 2.95Å
935	Q	33.1	Very low	33.8	Very low	148.5 Å²	148.5	135.3 Å²	135.3	69%	0.694	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-1.8	-178.4	-125.7	171.3	-13	0	0	113.7	Q931 L932 L933 H937 H938 D939	Q931-Q935 VanDerWaalsContact O-CB 3.27Å; Q931-Q935 WeakPolarHBondContact O-CB 3.21Å; Q931-Q935 VanDerWaalsContact O-CG 3.26Å; Q931-Q935 WeakPolarHBondContact O-CG 3.49Å; Q931-Q935 PolarHBondContact O-N 2.92Å; L932-Q935 WeakPolarHBondContact O-CB 3.37Å; L932-Q935 PolarHBondContact O-N 3.42Å; L932-Q935 VanDerWaalsContact O-N 3.14Å; L933-Q935 VanDerWaalsContact C-N 3.31Å; L933-Q935 PolarHBondContact O-N 3.14Å; Q935-H937 PolarHBondContact O-N 3.26Å; Q935-H938 PolarHBondContact O-N 3Å; Q935-D939 VanDerWaalsContact C-OD2 3.26Å; Q935-D939 VanDerWaalsContact CA-CG 3.49Å; Q935-D939 WeakPolarHBondContact CA-OD1 3.13Å; Q935-D939 WeakPolarHBondContact CA-OD2 3.14Å; Q935-D939 WeakPolarHBondContact CB-OD2 3.29Å; Q935-D939 WeakPolarHBondContact O-CB 3.2Å; Q935-D939 PolarHBondContact O-N 3.18Å
936	K	29.1	Very low	34.5	Very low	182 Å²	182	131.4 Å²	131.4	79%	0.791	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	13.1	-177.9	-126.4	177.6	-177	179.9	0	115.8	L932 H934	L932-K936 PolarHBondContact O-N 3.47Å; L932-K936 VanDerWaalsContact O-N 3.15Å; H934-K936 PolarHBondContact O-N 3.07Å; H934-K936 VanDerWaalsContact O-N 3.15Å
937	H	32.4	Very low	35	Very low	165.5 Å²	165.5	127.3 Å²	127.3	77%	0.766	61%	0.605	S	S	*	*			trans	-126.2	73.6	167.9	-89.2	-75.8	0	0	0	110.7	H934 Q935	H934-H937 PolarHBondContact O-N 3.36Å; H934-H937 VanDerWaalsContact O-N 3.16Å; Q935-H937 PolarHBondContact O-N 3.26Å
938	H	31.7	Very low	35.3	Very low	147.25 Å²	147.25	124.6 Å²	124.6	68%	0.682	59%	0.593	S	S	*	*			trans	-94.7	101.6	169.4	-107.7	-79.1	0	0	0	110.5	H934 Q935 E940 D941 E942	H934-H938 VanDerWaalsContact O-CB 3.27Å; H934-H938 WeakPolarHBondContact O-CB 3.36Å; H934-H938 PolarHBondContact O-N 2.95Å; Q935-H938 PolarHBondContact O-N 3Å; H938-E940 PolarHBondContact O-N 3.11Å; H938-D941 CarbonylContact O-C 3.59Å; H938-D941 PolarHBondContact O-N 3.3Å; H938-D941 VanDerWaalsContact O-N 3.08Å; H938-E942 WeakPolarHBondContact O-CB 3.39Å; H938-E942 PolarHBondContact O-N 3.07Å
939	D	34.1	Very low	35.9	Very low	131.25 Å²	131.25	122.2 Å²	122.2	70%	0.702	59%	0.586	S	S	*	*			trans	84.1	30.2	172.7	-72.4	-11.9	0	0	0	114.9	Q935 D941 E943	Q935-D939 VanDerWaalsContact C-OD2 3.26Å; Q935-D939 VanDerWaalsContact CA-CG 3.49Å; Q935-D939 WeakPolarHBondContact CA-OD1 3.13Å; Q935-D939 WeakPolarHBondContact CA-OD2 3.14Å; Q935-D939 WeakPolarHBondContact CB-OD2 3.29Å; Q935-D939 WeakPolarHBondContact O-CB 3.2Å; Q935-D939 PolarHBondContact O-N 3.18Å; D939-D941 PolarHBondContact O-N 3.44Å; D939-D941 VanDerWaalsContact O-N 3.13Å; D939-E943 HydrophobicContact CB-CG 4.19Å; D939-E943 WeakPolarHBondContact O-CA 3.16Å; D939-E943 WeakPolarHBondContact O-CB 3.45Å; D939-E943 WeakPolarHBondContact O-CG 3.23Å; D939-E943 PolarHBondContact O-N 2.83Å
940	E	35.9	Very low	36.5	Very low	127.25 Å²	127.25	118.7 Å²	118.7	60%	0.595	58%	0.575	S	S	*	*			trans	-93.4	123.6	162.2	-74	-168.7	162.3	0	0	110.8	H938 E942 S944 K945 K948	H938-E940 PolarHBondContact O-N 3.11Å; E940-E942 PolarHBondContact O-N 3.01Å; E940-S944 WeakPolarHBondContact CB-OG 3.21Å; E940-S944 VanDerWaalsContact O-CB 3.23Å; E940-S944 WeakPolarHBondContact O-CB 3.22Å; E940-S944 PolarHBondContact O-OG 3.32Å; E940-K945 HydrophobicContact CB-CD 4.48Å; E940-K945 HydrophobicContact CB-CG 4.27Å; E940-K948 IonicContact OE1-NZ 3.76Å; E940-K948 PolarHBondContact OE1-NZ 2.83Å; E940-K948 IonicContact OE2-NZ 2.82Å; E940-K948 PolarHBondContact OE2-NZ 3.14Å
941	D	41.9	Very low	37.2	Very low	111.75 Å²	111.75	113.2 Å²	113.2	60%	0.598	56%	0.558	S	S	*	*			trans	-67.2	140.2	-174.1	-79.5	-44.4	0	0	0	113	H938 D939 E943 S944 K945	H938-D941 CarbonylContact O-C 3.59Å; H938-D941 PolarHBondContact O-N 3.3Å; H938-D941 VanDerWaalsContact O-N 3.08Å; D939-D941 PolarHBondContact O-N 3.44Å; D939-D941 VanDerWaalsContact O-N 3.13Å; D941-E943 PolarHBondContact O-N 3.13Å; D941-S944 WeakPolarHBondContact O-CA 3.45Å; D941-S944 VanDerWaalsContact O-CB 3.3Å; D941-S944 WeakPolarHBondContact O-CB 3.25Å; D941-S944 PolarHBondContact O-N 3.07Å; D941-S944 PolarHBondContact O-OG 3.3Å; D941-K945 VanDerWaalsContact O-CB 3.32Å; D941-K945 WeakPolarHBondContact O-CB 3.19Å; D941-K945 WeakPolarHBondContact O-CD 3.41Å; D941-K945 WeakPolarHBondContact O-CE 3.38Å; D941-K945 WeakPolarHBondContact O-CG 3.42Å; D941-K945 PolarHBondContact O-N 3.02Å; D941-K945 VanDerWaalsContact O-N 3.15Å; D941-K945 IonicContact OD1-NZ 3.46Å; D941-K945 PolarHBondContact OD1-NZ 2.93Å; D941-K945 IonicContact OD2-NZ 3.78Å; D941-K945 PolarHBondContact OD2-NZ 3.42Å
942	E	41.6	Very low	37.5	Very low	131.75 Å²	131.75	111.9 Å²	111.9	62%	0.616	56%	0.555	S	S	*	*	H	α-helix	trans	-60	-33.5	171.2	-86.2	-71.2	131.6	0	0	112.4	H938 E940 S944 K945 A946	H938-E942 WeakPolarHBondContact O-CB 3.39Å; H938-E942 PolarHBondContact O-N 3.07Å; E940-E942 PolarHBondContact O-N 3.01Å; E942-S944 VanDerWaalsContact C-N 3.29Å; E942-S944 PolarHBondContact O-N 3.06Å; E942-K945 CarbonylContact O-C 3.4Å; E942-K945 WeakPolarHBondContact O-CB 3.47Å; E942-K945 PolarHBondContact O-N 3.2Å; E942-K945 VanDerWaalsContact O-N 3.13Å; E942-K945 WeakPolarHBondContact OE1-CD 3.25Å; E942-K945 WeakPolarHBondContact OE1-CE 3.38Å; E942-K945 IonicContact OE1-NZ 3.46Å; E942-K945 PolarHBondContact OE1-NZ 2.94Å; E942-A946 WeakPolarHBondContact O-CA 3.46Å; E942-A946 VanDerWaalsContact O-CB 3.28Å; E942-A946 WeakPolarHBondContact O-CB 3.4Å; E942-A946 PolarHBondContact O-N 3.1Å
943	E	36.9	Very low	37.7	Very low	140.75 Å²	140.75	111.9 Å²	111.9	66%	0.658	55%	0.546	S	S	*	.	H	α-helix	trans	-64.6	-38.2	171.9	-68.7	-158.6	141.9	0	0	111.8	D939 D941 K945 A946 I947	D939-E943 HydrophobicContact CB-CG 4.19Å; D939-E943 WeakPolarHBondContact O-CA 3.16Å; D939-E943 WeakPolarHBondContact O-CB 3.45Å; D939-E943 WeakPolarHBondContact O-CG 3.23Å; D939-E943 PolarHBondContact O-N 2.83Å; D941-E943 PolarHBondContact O-N 3.13Å; E943-K945 VanDerWaalsContact C-N 3.31Å; E943-K945 PolarHBondContact O-N 3.14Å; E943-A946 PolarHBondContact O-N 3.19Å; E943-I947 HydrophobicContact CB-CD1 4.28Å; E943-I947 WeakPolarHBondContact O-CA 3.47Å; E943-I947 VanDerWaalsContact O-CB 3.3Å; E943-I947 WeakPolarHBondContact O-CB 3.22Å; E943-I947 WeakPolarHBondContact O-CD1 3.45Å; E943-I947 WeakPolarHBondContact O-CG1 3.22Å; E943-I947 PolarHBondContact O-N 3.24Å
944	S	38.7	Very low	38.3	Very low	34.25 Å²	34.25	110.7 Å²	110.7	24%	0.24	54%	0.539	C	S	.	.	H	α-helix	trans	-65.5	-37.8	175.6	84.7	0	0	0	0	111.6	E940 D941 E942 I947 K948	E940-S944 WeakPolarHBondContact CB-OG 3.21Å; E940-S944 VanDerWaalsContact O-CB 3.23Å; E940-S944 WeakPolarHBondContact O-CB 3.22Å; E940-S944 PolarHBondContact O-OG 3.32Å; D941-S944 WeakPolarHBondContact O-CA 3.45Å; D941-S944 VanDerWaalsContact O-CB 3.3Å; D941-S944 WeakPolarHBondContact O-CB 3.25Å; D941-S944 PolarHBondContact O-N 3.07Å; D941-S944 PolarHBondContact O-OG 3.3Å; E942-S944 VanDerWaalsContact C-N 3.29Å; E942-S944 PolarHBondContact O-N 3.06Å; S944-I947 PolarHBondContact O-N 3.15Å; S944-K948 WeakPolarHBondContact O-CA 3.34Å; S944-K948 VanDerWaalsContact O-CB 3.31Å; S944-K948 WeakPolarHBondContact O-CB 3.33Å; S944-K948 WeakPolarHBondContact O-CD 3.34Å; S944-K948 WeakPolarHBondContact O-CG 3.42Å; S944-K948 PolarHBondContact O-N 2.97Å; S944-K948 PolarHBondContact OG-NZ 2.78Å
945	K	40.4	Very low	38.6	Very low	92.25 Å²	92.25	108.2 Å²	108.2	40%	0.401	53%	0.531	S	S	.	.	H	α-helix	trans	-67.3	-44	173	-68.5	174.7	-166.3	160.2	0	111.3	E940 D941 E942 E943 I947 K948 V949	E940-K945 HydrophobicContact CB-CD 4.48Å; E940-K945 HydrophobicContact CB-CG 4.27Å; D941-K945 VanDerWaalsContact O-CB 3.32Å; D941-K945 WeakPolarHBondContact O-CB 3.19Å; D941-K945 WeakPolarHBondContact O-CD 3.41Å; D941-K945 WeakPolarHBondContact O-CE 3.38Å; D941-K945 WeakPolarHBondContact O-CG 3.42Å; D941-K945 PolarHBondContact O-N 3.02Å; D941-K945 VanDerWaalsContact O-N 3.15Å; D941-K945 IonicContact OD1-NZ 3.46Å; D941-K945 PolarHBondContact OD1-NZ 2.93Å; D941-K945 IonicContact OD2-NZ 3.78Å; D941-K945 PolarHBondContact OD2-NZ 3.42Å; E942-K945 CarbonylContact O-C 3.4Å; E942-K945 WeakPolarHBondContact O-CB 3.47Å; E942-K945 PolarHBondContact O-N 3.2Å; E942-K945 VanDerWaalsContact O-N 3.13Å; E942-K945 WeakPolarHBondContact OE1-CD 3.25Å; E942-K945 WeakPolarHBondContact OE1-CE 3.38Å; E942-K945 IonicContact OE1-NZ 3.46Å; E942-K945 PolarHBondContact OE1-NZ 2.94Å; E943-K945 VanDerWaalsContact C-N 3.31Å; E943-K945 PolarHBondContact O-N 3.14Å; K945-I947 VanDerWaalsContact C-N 3.3Å; K945-I947 PolarHBondContact O-N 3.11Å; K945-K948 PolarHBondContact O-N 3.17Å; K945-V949 VanDerWaalsContact O-CB 3.26Å; K945-V949 WeakPolarHBondContact O-CB 3.41Å; K945-V949 VanDerWaalsContact O-CG2 3.26Å; K945-V949 WeakPolarHBondContact O-CG2 3.28Å; K945-V949 PolarHBondContact O-N 2.89Å
946	A	44.2	Very low	39.1	Very low	46 Å²	46	104.7 Å²	104.7	38%	0.38	52%	0.523	S	S	.	.	H	α-helix	trans	-64.8	-36.7	177.2	0	0	0	0	0	112	E942 E943 N950	E942-A946 WeakPolarHBondContact O-CA 3.46Å; E942-A946 VanDerWaalsContact O-CB 3.28Å; E942-A946 WeakPolarHBondContact O-CB 3.4Å; E942-A946 PolarHBondContact O-N 3.1Å; E943-A946 PolarHBondContact O-N 3.19Å; A946-N950 WeakPolarHBondContact O-CA 3.39Å; A946-N950 VanDerWaalsContact O-CB 3.25Å; A946-N950 WeakPolarHBondContact O-CB 3.34Å; A946-N950 VanDerWaalsContact O-CG 3.28Å; A946-N950 PolarHBondContact O-N 3Å; A946-N950 PolarHBondContact O-ND2 3.13Å; A946-N950 VanDerWaalsContact O-ND2 3.09Å
947	I	43.2	Very low	39.4	Very low	86.5 Å²	86.5	100 Å²	100	44%	0.444	51%	0.506	S	S	.	.	H	α-helix	trans	-69.5	-46.7	173.2	-69.8	164.1	0	0	0	110.4	F557 E943 S944 K945 V949 N950 I951	F557-I947 HydrophobicContact CE1-CD1 4.19Å; F557-I947 HydrophobicContact CE1-CG1 4.44Å; F557-I947 HydrophobicContact CZ-CD1 3.85Å; F557-I947 HydrophobicContact CZ-CG1 4.45Å; F557-I947 HydrophobicContact CZ-CG2 4.38Å; E943-I947 HydrophobicContact CB-CD1 4.28Å; E943-I947 WeakPolarHBondContact O-CA 3.47Å; E943-I947 VanDerWaalsContact O-CB 3.3Å; E943-I947 WeakPolarHBondContact O-CB 3.22Å; E943-I947 WeakPolarHBondContact O-CD1 3.45Å; E943-I947 WeakPolarHBondContact O-CG1 3.22Å; E943-I947 PolarHBondContact O-N 3.24Å; S944-I947 PolarHBondContact O-N 3.15Å; K945-I947 VanDerWaalsContact C-N 3.3Å; K945-I947 PolarHBondContact O-N 3.11Å; I947-V949 VanDerWaalsContact C-N 3.32Å; I947-V949 PolarHBondContact O-N 3.17Å; I947-N950 PolarHBondContact O-N 3.37Å; I947-I951 HydrophobicContact CG2-CD1 3.61Å; I947-I951 VanDerWaalsContact CG2-CD1 3.49Å; I947-I951 HydrophobicContact CG2-CG1 4.28Å; I947-I951 WeakPolarHBondContact O-CB 3.27Å; I947-I951 VanDerWaalsContact O-CG1 3.27Å; I947-I951 WeakPolarHBondContact O-CG1 3.34Å; I947-I951 PolarHBondContact O-N 3.07Å
948	K	39.8	Very low	39.6	Very low	93.25 Å²	93.25	100.2 Å²	100.2	41%	0.405	51%	0.505	S	S	.	.	H	α-helix	trans	-59.6	-44	175.6	-93.9	167.9	-175.1	166.9	0	111.3	E940 S944 K945 I951 L952 L1035	E940-K948 IonicContact OE1-NZ 3.76Å; E940-K948 PolarHBondContact OE1-NZ 2.83Å; E940-K948 IonicContact OE2-NZ 2.82Å; E940-K948 PolarHBondContact OE2-NZ 3.14Å; S944-K948 WeakPolarHBondContact O-CA 3.34Å; S944-K948 VanDerWaalsContact O-CB 3.31Å; S944-K948 WeakPolarHBondContact O-CB 3.33Å; S944-K948 WeakPolarHBondContact O-CD 3.34Å; S944-K948 WeakPolarHBondContact O-CG 3.42Å; S944-K948 PolarHBondContact O-N 2.97Å; S944-K948 PolarHBondContact OG-NZ 2.78Å; K945-K948 PolarHBondContact O-N 3.17Å; K948-I951 PolarHBondContact O-N 3.18Å; K948-L952 HydrophobicContact CG-CD1 4.42Å; K948-L952 VanDerWaalsContact O-CB 3.26Å; K948-L952 WeakPolarHBondContact O-CB 3.32Å; K948-L952 WeakPolarHBondContact O-CD1 3.07Å; K948-L952 VanDerWaalsContact O-CG 3.28Å; K948-L952 WeakPolarHBondContact O-CG 3.38Å; K948-L952 PolarHBondContact O-N 2.97Å; K948-L1035 HydrophobicContact CG-CD1 4.43Å; K948-L1035 HydrophobicContact CG-CD2 4.29Å
949	V	44.2	Very low	39.7	Very low	63.5 Å²	63.5	100.4 Å²	100.4	39%	0.385	51%	0.506	S	S	.	.	H	α-helix	trans	-69	-39.5	176.5	170.4	0	0	0	0	111.7	K945 I947 L952 R953	K945-V949 VanDerWaalsContact O-CB 3.26Å; K945-V949 WeakPolarHBondContact O-CB 3.41Å; K945-V949 VanDerWaalsContact O-CG2 3.26Å; K945-V949 WeakPolarHBondContact O-CG2 3.28Å; K945-V949 PolarHBondContact O-N 2.89Å; I947-V949 VanDerWaalsContact C-N 3.32Å; I947-V949 PolarHBondContact O-N 3.17Å; V949-L952 PolarHBondContact O-N 2.95Å; V949-R953 WeakPolarHBondContact O-CB 3.36Å; V949-R953 PolarHBondContact O-N 3.16Å
950	N	42.1	Very low	39.6	Very low	74 Å²	74	100.7 Å²	100.7	40%	0.396	50%	0.501	S	S	.	.	H	α-helix	trans	-70.6	-37.4	176	-77.8	-31.3	0	0	0	112.2	A946 I947 R953 I954	A946-N950 WeakPolarHBondContact O-CA 3.39Å; A946-N950 VanDerWaalsContact O-CB 3.25Å; A946-N950 WeakPolarHBondContact O-CB 3.34Å; A946-N950 VanDerWaalsContact O-CG 3.28Å; A946-N950 PolarHBondContact O-N 3Å; A946-N950 PolarHBondContact O-ND2 3.13Å; A946-N950 VanDerWaalsContact O-ND2 3.09Å; I947-N950 PolarHBondContact O-N 3.37Å; N950-R953 CarbonylContact O-C 3.58Å; N950-R953 PolarHBondContact O-N 3.44Å; N950-R953 PolarHBondContact OD1-NH1 3.23Å; N950-I954 VanDerWaalsContact O-CB 3.3Å; N950-I954 WeakPolarHBondContact O-CB 3.25Å; N950-I954 WeakPolarHBondContact O-CD1 3.31Å; N950-I954 WeakPolarHBondContact O-CG1 3.34Å; N950-I954 PolarHBondContact O-N 3.2Å
951	I	45.9	Very low	39.4	Very low	74.25 Å²	74.25	100.8 Å²	100.8	38%	0.381	51%	0.506	S	S	.	.	H	α-helix	trans	-65	-45.6	172.4	-70.3	170.5	0	0	0	109.9	I947 K948 R953 I954 L955 I1031 L1035	I947-I951 HydrophobicContact CG2-CD1 3.61Å; I947-I951 VanDerWaalsContact CG2-CD1 3.49Å; I947-I951 HydrophobicContact CG2-CG1 4.28Å; I947-I951 WeakPolarHBondContact O-CB 3.27Å; I947-I951 VanDerWaalsContact O-CG1 3.27Å; I947-I951 WeakPolarHBondContact O-CG1 3.34Å; I947-I951 PolarHBondContact O-N 3.07Å; K948-I951 PolarHBondContact O-N 3.18Å; I951-R953 VanDerWaalsContact C-N 3.32Å; I951-R953 PolarHBondContact O-N 3.07Å; I951-I954 PolarHBondContact O-N 2.84Å; I951-L955 HydrophobicContact CG2-CD1 3.76Å; I951-L955 HydrophobicContact CG2-CG 4.34Å; I951-L955 VanDerWaalsContact O-CB 3.3Å; I951-L955 WeakPolarHBondContact O-CB 3.43Å; I951-L955 WeakPolarHBondContact O-CD1 3.33Å; I951-L955 VanDerWaalsContact O-CG 3.27Å; I951-L955 WeakPolarHBondContact O-CG 3.33Å; I951-L955 PolarHBondContact O-N 3.04Å; I951-I1031 HydrophobicContact CD1-CG2 4.17Å; I951-I1031 HydrophobicContact CG2-CG2 4.49Å; I951-L1035 HydrophobicContact CD1-CD1 4.11Å
952	L	38.5	Very low	38.8	Very low	105.5 Å²	105.5	102.3 Å²	102.3	55%	0.552	51%	0.513	S	S	*	.	H	α-helix	trans	-61.6	-37.1	173.9	-78.3	165.9	0	0	0	112.2	K948 V949 L955 S956 P1699	K948-L952 HydrophobicContact CG-CD1 4.42Å; K948-L952 VanDerWaalsContact O-CB 3.26Å; K948-L952 WeakPolarHBondContact O-CB 3.32Å; K948-L952 WeakPolarHBondContact O-CD1 3.07Å; K948-L952 VanDerWaalsContact O-CG 3.28Å; K948-L952 WeakPolarHBondContact O-CG 3.38Å; K948-L952 PolarHBondContact O-N 2.97Å; V949-L952 PolarHBondContact O-N 2.95Å; L952-L955 CarbonylContact O-C 3.52Å; L952-L955 PolarHBondContact O-N 3Å; L952-S956 WeakPolarHBondContact O-CA 3.41Å; L952-S956 VanDerWaalsContact O-CB 3.27Å; L952-S956 WeakPolarHBondContact O-CB 3.37Å; L952-S956 PolarHBondContact O-N 3.2Å; L952-S956 PolarHBondContact O-OG 3.09Å; L952-S956 VanDerWaalsContact O-OG 3.1Å; L952-P1699 HydrophobicContact CD2-CB 4.27Å
953	R	37.4	Very low	38.1	Very low	128.75 Å²	128.75	102.8 Å²	102.8	49%	0.486	52%	0.519	S	S	.	.	H	α-helix	trans	-70.1	-37.4	175.9	-172.5	-179.5	-71	141.4	-7.2	112.1	V949 N950 I951 L955 S956 N957	V949-R953 WeakPolarHBondContact O-CB 3.36Å; V949-R953 PolarHBondContact O-N 3.16Å; N950-R953 CarbonylContact O-C 3.58Å; N950-R953 PolarHBondContact O-N 3.44Å; N950-R953 PolarHBondContact OD1-NH1 3.23Å; I951-R953 VanDerWaalsContact C-N 3.32Å; I951-R953 PolarHBondContact O-N 3.07Å; R953-L955 VanDerWaalsContact C-N 3.31Å; R953-L955 PolarHBondContact O-N 3.4Å; R953-S956 WeakPolarHBondContact CA-OG 3.16Å; R953-S956 PolarHBondContact O-N 3.18Å; R953-S956 PolarHBondContact O-OG 3.15Å; R953-N957 HydrophobicContact CG-CB 4.36Å; R953-N957 WeakPolarHBondContact O-CA 3.45Å; R953-N957 VanDerWaalsContact O-CB 3.28Å; R953-N957 WeakPolarHBondContact O-CB 3.25Å; R953-N957 PolarHBondContact O-N 3.08Å; R953-N957 PolarHBondContact O-ND2 3.23Å; R953-N957 PolarHBondContact O-OD1 3.19Å
954	I	41.8	Very low	37.6	Very low	95.25 Å²	95.25	103.1 Å²	103.1	49%	0.488	53%	0.525	S	S	.	.	H	α-helix	trans	-67.2	-37.4	172.7	-71.5	162.2	0	0	0	110.8	N950 I951 N957 F960	N950-I954 VanDerWaalsContact O-CB 3.3Å; N950-I954 WeakPolarHBondContact O-CB 3.25Å; N950-I954 WeakPolarHBondContact O-CD1 3.31Å; N950-I954 WeakPolarHBondContact O-CG1 3.34Å; N950-I954 PolarHBondContact O-N 3.2Å; I951-I954 PolarHBondContact O-N 2.84Å; I954-N957 WeakPolarHBondContact O-CB 3.41Å; I954-N957 PolarHBondContact O-N 3.44Å; I954-F960 HydrophobicContact CG2-CD2 4.09Å; I954-F960 HydrophobicContact CG2-CE2 3.69Å; I954-F960 HydrophobicContact CG2-CZ 4.29Å; I954-F960 WeakPolarHBondContact O-CD2 3.34Å
955	L	36.9	Very low	37.1	Very low	93.25 Å²	93.25	111.3 Å²	111.3	49%	0.488	55%	0.553	S	S	.	*	H	α-helix	trans	-78.7	-26.7	176.9	-68.8	170.3	0	0	0	113.3	I951 L952 R953 N957 F960 L1028	I951-L955 HydrophobicContact CG2-CD1 3.76Å; I951-L955 HydrophobicContact CG2-CG 4.34Å; I951-L955 VanDerWaalsContact O-CB 3.3Å; I951-L955 WeakPolarHBondContact O-CB 3.43Å; I951-L955 WeakPolarHBondContact O-CD1 3.33Å; I951-L955 VanDerWaalsContact O-CG 3.27Å; I951-L955 WeakPolarHBondContact O-CG 3.33Å; I951-L955 PolarHBondContact O-N 3.04Å; L952-L955 CarbonylContact O-C 3.52Å; L952-L955 PolarHBondContact O-N 3Å; R953-L955 VanDerWaalsContact C-N 3.31Å; R953-L955 PolarHBondContact O-N 3.4Å; L955-N957 PolarHBondContact O-N 3.39Å; L955-F960 VanDerWaalsContact O-CD2 3.29Å; L955-F960 WeakPolarHBondContact O-CD2 3.47Å; L955-L1028 HydrophobicContact CD2-CD1 3.72Å; L955-L1028 HydrophobicContact CD2-CD2 3.51Å; L955-L1028 HydrophobicContact CD2-CG 3.59Å
956	S	43.7	Very low	36.4	Very low	74.5 Å²	74.5	111.6 Å²	111.6	52%	0.521	57%	0.567	S	S	.	*	H	α-helix	trans	-86.3	-25.1	177.7	124.2	0	0	0	0	113.3	L952 R953 K958	L952-S956 WeakPolarHBondContact O-CA 3.41Å; L952-S956 VanDerWaalsContact O-CB 3.27Å; L952-S956 WeakPolarHBondContact O-CB 3.37Å; L952-S956 PolarHBondContact O-N 3.2Å; L952-S956 PolarHBondContact O-OG 3.09Å; L952-S956 VanDerWaalsContact O-OG 3.1Å; R953-S956 WeakPolarHBondContact CA-OG 3.16Å; R953-S956 PolarHBondContact O-N 3.18Å; R953-S956 PolarHBondContact O-OG 3.15Å; S956-K958 PolarHBondContact O-N 3.06Å
957	N	35.4	Very low	35.5	Very low	83.5 Å²	83.5	116.5 Å²	116.5	45%	0.447	59%	0.586	S	S	.	*	S	Bend	trans	-81.6	82.9	177	-76.7	18.3	0	0	0	110.8	R953 I954 L955 E959	R953-N957 HydrophobicContact CG-CB 4.36Å; R953-N957 WeakPolarHBondContact O-CA 3.45Å; R953-N957 VanDerWaalsContact O-CB 3.28Å; R953-N957 WeakPolarHBondContact O-CB 3.25Å; R953-N957 PolarHBondContact O-N 3.08Å; R953-N957 PolarHBondContact O-ND2 3.23Å; R953-N957 PolarHBondContact O-OD1 3.19Å; I954-N957 WeakPolarHBondContact O-CB 3.41Å; I954-N957 PolarHBondContact O-N 3.44Å; L955-N957 PolarHBondContact O-N 3.39Å; N957-E959 HydrophobicContact CB-CG 4.39Å; N957-E959 PolarHBondContact ND2-OE2 3.26Å; N957-E959 PolarHBondContact O-N 3.03Å
958	K	36.9	Very low	34.8	Very low	169 Å²	169	123.2 Å²	123.2	74%	0.735	61%	0.607	S	S	*	*	S	Bend	trans	-70.2	22	164.9	-74.7	-178.2	175.6	-170.6	0	114.5	S956 F960 D961	S956-K958 PolarHBondContact O-N 3.06Å; K958-F960 PolarHBondContact O-N 2.94Å; K958-D961 WeakPolarHBondContact CD-OD2 2.93Å; K958-D961 IonicContact NZ-OD2 3.62Å; K958-D961 PolarHBondContact O-N 2.94Å; K958-D961 VanDerWaalsContact O-N 3.13Å
959	E	33.4	Very low	34.1	Very low	152.25 Å²	152.25	127.3 Å²	127.3	71%	0.711	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-4.8	178.4	-73.2	-177	139.8	0	0	112.9	N957 D961 L962	N957-E959 HydrophobicContact CB-CG 4.39Å; N957-E959 PolarHBondContact ND2-OE2 3.26Å; N957-E959 PolarHBondContact O-N 3.03Å; E959-D961 VanDerWaalsContact C-N 3.35Å; E959-L962 WeakPolarHBondContact O-CB 3.3Å; E959-L962 PolarHBondContact O-N 3.27Å
960	F	33	Very low	33.2	Very low	136.5 Å²	136.5	132.2 Å²	132.2	60%	0.599	64%	0.644	S	S	*	*	S	Bend	trans	-92.2	-12.7	177.4	-91.5	-82.6	0	0	0	114.9	I954 L955 K958 L962 L963	I954-F960 HydrophobicContact CG2-CD2 4.09Å; I954-F960 HydrophobicContact CG2-CE2 3.69Å; I954-F960 HydrophobicContact CG2-CZ 4.29Å; I954-F960 WeakPolarHBondContact O-CD2 3.34Å; L955-F960 VanDerWaalsContact O-CD2 3.29Å; L955-F960 WeakPolarHBondContact O-CD2 3.47Å; K958-F960 PolarHBondContact O-N 2.94Å; F960-L962 VanDerWaalsContact C-N 3.28Å; F960-L962 PolarHBondContact O-N 3.2Å; F960-L963 HydrophobicContact CE1-CD1 4.41Å
961	D	31.5	Very low	32.4	Very low	130.5 Å²	130.5	139.6 Å²	139.6	70%	0.698	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	11.7	178	-61.7	-29.8	0	0	0	113.2	K958 E959 L963	K958-D961 WeakPolarHBondContact CD-OD2 2.93Å; K958-D961 IonicContact NZ-OD2 3.62Å; K958-D961 PolarHBondContact O-N 2.94Å; K958-D961 VanDerWaalsContact O-N 3.13Å; E959-D961 VanDerWaalsContact C-N 3.35Å; D961-L963 PolarHBondContact O-N 3.46Å
962	L	29.9	Very low	31.4	Very low	142.5 Å²	142.5	144 Å²	144	75%	0.746	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	27.5	-179.9	-121.7	125	0	0	0	113.6	E959 F960 Y965	E959-L962 WeakPolarHBondContact O-CB 3.3Å; E959-L962 PolarHBondContact O-N 3.27Å; F960-L962 VanDerWaalsContact C-N 3.28Å; F960-L962 PolarHBondContact O-N 3.2Å; L962-Y965 HydrophobicContact CD2-CE2 4.42Å; L962-Y965 HydrophobicContact CG-CE2 4.17Å; L962-Y965 WeakPolarHBondContact O-CD2 3.45Å
963	L	26.9	Very low	30.8	Very low	142.5 Å²	142.5	145 Å²	145	75%	0.746	70%	0.699	S	S	*	*			trans	-122.8	41.4	170	-82.2	169.9	0	0	0	111.6	F960 D961 Y965	F960-L963 HydrophobicContact CE1-CD1 4.41Å; D961-L963 PolarHBondContact O-N 3.46Å; L963-Y965 PolarHBondContact O-N 2.79Å
964	D	26.4	Very low	30.2	Very low	147 Å²	147	145.4 Å²	145.4	79%	0.786	71%	0.71	S	S	*	*			trans	-58.3	108.2	168.6	-96.5	-16.1	0	0	0	112.2	S966	D964-S966 PolarHBondContact O-N 3.11Å
965	Y	27.9	Very low	29.4	Very low	206.25 Å²	206.25	147.4 Å²	147.4	81%	0.809	73%	0.726	S	S	*	*			trans	-82.5	69.3	174.8	-107.8	-88	0	0	0	113.6	L962 L963	L962-Y965 HydrophobicContact CD2-CE2 4.42Å; L962-Y965 HydrophobicContact CG-CE2 4.17Å; L962-Y965 WeakPolarHBondContact O-CD2 3.45Å; L963-Y965 PolarHBondContact O-N 2.79Å
966	S	25.1	Very low	28.8	Very low	99.25 Å²	99.25	148.9 Å²	148.9	69%	0.694	74%	0.739	S	S	*	*	S	Bend	trans	-135	85.4	166.8	58.5	0	0	0	0	111.7	D964	D964-S966 PolarHBondContact O-N 3.11Å
967	D	25.4	Very low	27.9	Very low	148.25 Å²	148.25	149.4 Å²	149.4	79%	0.793	75%	0.748	S	S	*	*	S	Bend	trans	160.8	81.3	152.4	-86.4	-20.4	0	0	0	112.7
968	Y	29	Very low	27.4	Very low	227 Å²	227	151.7 Å²	151.7	89%	0.89	77%	0.765	S	S	*	*			trans	-150.7	107.3	146.6	-100.3	-75.8	0	0	0	110.2
969	K	24.6	Very low	26.8	Very low	178.75 Å²	178.75	149.6 Å²	149.6	78%	0.777	77%	0.767	S	S	*	*			trans	-90.6	140	172.5	-84.1	-178.2	175.3	178.6	0	110.8
970	H	25.2	Very low	26.5	Very low	168.25 Å²	168.25	148.5 Å²	148.5	78%	0.779	77%	0.77	S	S	*	*			trans	46.5	113.5	168.4	-53.9	2.9	0	0	0	114.6
971	Y	26	Very low	26.1	Very low	229.25 Å²	229.25	146.5 Å²	146.5	90%	0.899	77%	0.774	S	S	*	*				-137.6	129.5	113.7	-105.4	-84.9	0	0	0	110.1
972	E	24.7	Very low	25.9	Very low	165.75 Å²	165.75	146.9 Å²	146.9	78%	0.775	78%	0.776	S	S	*	*			trans	-80	142.7	176	-71.2	-174.8	136	0	0	111.8	I974	E972-I974 PolarHBondContact O-N 3.49Å
973	P	25.3	Very low	25.6	Very low	126.25 Å²	126.25	148 Å²	148	82%	0.82	78%	0.779	S	S	*	*			trans	-88.8	117	163.7	33.3	-27.8	0	0	0	110.3
974	I	25.3	Very low	25.6	Very low	138.25 Å²	138.25	146.3 Å²	146.3	71%	0.709	78%	0.775	S	S	*	*			trans	-110	117.3	169.3	-59.5	176.5	0	0	0	109.4	E972	E972-I974 PolarHBondContact O-N 3.49Å
975	V	24.7	Very low	25.6	Very low	137 Å²	137	145.1 Å²	145.1	83%	0.83	77%	0.773	S	S	*	*			trans	-144.8	96.2	160.4	-177.3	0	0	0	0	109.6
976	T	24.1	Very low	25.6	Very low	124.5 Å²	124.5	141.1 Å²	141.1	76%	0.764	77%	0.77	S	S	*	*			trans	-137.2	121.4	153	40.1	0	0	0	0	110.1
977	A	25.2	Very low	25.6	Very low	85.5 Å²	85.5	142.6 Å²	142.6	71%	0.707	77%	0.77	S	S	*	*			trans	79.9	112.7	131.3	0	0	0	0	0	116.1
978	T	25	Very low	25.7	Very low	130.5 Å²	130.5	142.1 Å²	142.1	80%	0.801	77%	0.768	S	S	*	*			trans	92.9	118.2	130.4	52.1	0	0	0	0	116.4
979	T	24.5	Very low	25.5	Very low	125.75 Å²	125.75	138 Å²	138	77%	0.771	76%	0.756	S	S	*	*			trans	-149.1	137.5	134.6	37.7	0	0	0	0	113
980	T	26.1	Very low	25.7	Very low	128 Å²	128	139.3 Å²	139.3	79%	0.785	76%	0.758	S	S	*	*			trans	131.5	144.8	135	53.2	0	0	0	0	113.7
981	S	26.4	Very low	25.7	Very low	95.5 Å²	95.5	137.8 Å²	137.8	67%	0.668	76%	0.756	S	S	*	*			cis	173.2	154	17.7	49.1	0	0	0	0	112.5
982	N	25.8	Very low	25.8	Very low	138.75 Å²	138.75	131.3 Å²	131.3	74%	0.742	74%	0.744	S	S	*	*			trans	57.3	128.2	156.7	-65.3	-8.9	0	0	0	118.9
983	M	24.6	Very low	25.8	Very low	165 Å²	165	131.5 Å²	131.5	81%	0.813	74%	0.744	S	S	*	*				135.5	140.1	93	-97.6	-173.3	175	0	0	114.2
984	T	26.6	Very low	26.1	Very low	108 Å²	108	130.6 Å²	130.6	66%	0.663	74%	0.739	S	S	*	*				134.3	129.8	77.9	36.2	0	0	0	0	116
985	T	25.4	Very low	26.2	Very low	121.25 Å²	121.25	131.2 Å²	131.2	74%	0.744	74%	0.742	S	S	*	*				54.9	133.1	128.7	60.8	0	0	0	0	119.1
986	T	27.7	Very low	26.2	Very low	123.25 Å²	123.25	132.6 Å²	132.6	76%	0.756	74%	0.74	S	S	*	*			cis	-159.3	146.6	39.6	32.1	0	0	0	0	110.3
987	N	25.9	Very low	26.2	Very low	129.5 Å²	129.5	130.8 Å²	130.8	69%	0.693	73%	0.732	S	S	*	*				-21	153.2	129.5	-76.4	-0.2	0	0	0	114.5
988	D	28.3	Very low	26.3	Very low	137.25 Å²	137.25	133.8 Å²	133.8	73%	0.734	74%	0.737	S	S	*	*				-168.1	135	92.9	-82.1	-39.1	0	0	0	115.4
989	Q	25	Very low	26.2	Very low	140.75 Å²	140.75	131.9 Å²	131.9	66%	0.658	73%	0.729	S	S	*	*			trans	-31.9	145.3	136.5	-78.3	171.7	9.6	0	0	115.8
990	Y	27.5	Very low	26.3	Very low	207.25 Å²	207.25	135.2 Å²	135.2	81%	0.813	73%	0.733	S	S	*	*				-174.2	139.7	118.2	-95.9	-66.7	0	0	0	112.5
991	N	26.5	Very low	26.1	Very low	136.75 Å²	136.75	138.4 Å²	138.4	73%	0.731	73%	0.73	S	S	*	*			trans	-107.6	158.1	179.1	-75.7	-27	0	0	0	112.5
992	S	26.5	Very low	26.2	Very low	92.5 Å²	92.5	140.4 Å²	140.4	65%	0.647	73%	0.729	S	S	*	*			cis	129.7	146.2	35.1	63.9	0	0	0	0	112.4
993	H	26.6	Very low	26.2	Very low	169.75 Å²	169.75	141.2 Å²	141.2	79%	0.786	73%	0.728	S	S	*	*			cis	-158.9	154.2	24.4	-118.4	-82.4	0	0	0	111.5
994	P	31	Very low	26.3	Very low	108.25 Å²	108.25	140.3 Å²	140.3	70%	0.703	72%	0.721	S	S	*	*			trans	-111.3	-172.6	178.4	40.3	-29.8	0	0	0	113.4
995	L	26.5	Very low	26.3	Very low	150 Å²	150	142.8 Å²	142.8	79%	0.785	73%	0.725	S	S	*	*			trans	142.5	132.7	170.7	-68.7	166.1	0	0	0	111.8
996	E	25.4	Very low	26.4	Very low	166 Å²	166	144.1 Å²	144.1	78%	0.776	72%	0.723	S	S	*	*			cis	-172.2	161.7	29.4	-92.5	-166.7	121.7	0	0	110.9
997	S	24.4	Very low	26.4	Very low	86.25 Å²	86.25	145.8 Å²	145.8	60%	0.603	72%	0.722	S	S	*	*				144.2	148.4	-115	63.1	0	0	0	0	115.8
998	N	26.6	Very low	26.4	Very low	149.25 Å²	149.25	146.9 Å²	146.9	80%	0.798	72%	0.723	S	S	*	*			trans	130.3	147.3	130.4	-83.7	-35.4	0	0	0	117.8
999	S	23.9	Very low	26.4	Very low	90.75 Å²	90.75	146.6 Å²	146.6	64%	0.635	72%	0.721	S	S	*	*				-129	156.4	-108.3	61	0	0	0	0	113
1000	F	25.5	Very low	26.5	Very low	194.5 Å²	194.5	147.8 Å²	147.8	85%	0.853	73%	0.726	S	S	*	*			trans	135.9	156.8	153.8	-90.5	-87.6	0	0	0	116.3
1001	R	23.1	Very low	26.5	Very low	195.8 Å²	195.8	144.7 Å²	144.7	74%	0.739	72%	0.724	S	S	*	*				-147.9	145.8	-80.2	-139.7	177.7	177.6	177.7	4	110.5
1002	H	26.5	Very low	26.5	Very low	137.2 Å²	137.2	145.6 Å²	145.6	64%	0.635	73%	0.729	S	S	*	*			trans	100.7	140.1	142.7	-81.5	-58.6	0	0	0	117
1003	H	27.1	Very low	26.6	Very low	155 Å²	155	147.3 Å²	147.3	72%	0.718	74%	0.735	S	S	*	*				98.9	142.3	119.8	-87	-64	0	0	0	118.6
1004	H	27	Very low	26.5	Very low	147.6 Å²	147.6	150.1 Å²	150.1	68%	0.683	74%	0.738	S	S	*	*			trans	99.4	129.1	150.4	-83	-66.4	0	0	0	118.6
1005	H	26.5	Very low	26.3	Very low	159.6 Å²	159.6	150.3 Å²	150.3	74%	0.739	74%	0.74	S	S	*	*			trans	104.3	150.6	134.5	-85.5	-60.4	0	0	0	119.2
1006	H	26.2	Very low	26.2	Very low	149.6 Å²	149.6	151.5 Å²	151.5	69%	0.693	74%	0.742	S	S	*	*			trans	72.1	129.6	166.3	-66.2	-72.4	0	0	0	118
1007	H	27.9	Very low	26.2	Very low	158.4 Å²	158.4	151 Å²	151	73%	0.733	74%	0.743	S	S	*	*				154.2	132	108.8	-87	-72.9	0	0	0	114.4
1008	Q	27.3	Very low	26.2	Very low	153 Å²	153	153.9 Å²	153.9	72%	0.715	75%	0.752	S	S	*	*				108.3	124.4	112.6	-98.9	169.9	-65	0	0	114.5
1009	D	26.9	Very low	26.3	Very low	129.8 Å²	129.8	151.8 Å²	151.8	69%	0.694	75%	0.749	S	S	*	*			trans	100.1	151.3	132.7	-61.6	-29.5	0	0	0	116.7
1010	H	28.4	Very low	26.5	Very low	165.8 Å²	165.8	156.2 Å²	156.2	77%	0.768	76%	0.76	S	S	*	*			trans	78.6	124.9	176.6	-74.9	-68.7	0	0	0	116.1
1011	D	27	Very low	26.7	Very low	142.6 Å²	142.6	151.8 Å²	151.8	76%	0.763	75%	0.75	S	S	*	*				162.1	137.3	90.2	-93.8	-10.6	0	0	0	112.5	V1013	D1011-V1013 PolarHBondContact O-N 3.15Å
1012	D	27.2	Very low	27	Very low	156.6 Å²	156.6	147.5 Å²	147.5	84%	0.837	75%	0.751	S	S	*	*			trans	15.9	116.2	155.9	-86.6	-30.7	0	0	0	118.6
1013	V	27.8	Very low	27.7	Very low	128.4 Å²	128.4	143.7 Å²	143.7	78%	0.778	74%	0.739	S	S	*	*			trans	-166	118.6	144.8	175.8	0	0	0	0	115	D1011 P1015	D1011-V1013 PolarHBondContact O-N 3.15Å; V1013-P1015 WeakPolarHBondContact O-CD 3.23Å
1014	R	23.8	Very low	28.2	Very low	226.8 Å²	226.8	142.3 Å²	142.3	86%	0.856	74%	0.742	S	S	*	*			trans	-79.8	131.4	154	-87.9	-179.1	178.7	-178.7	0.6	113.1	W1171	R1014-W1171 PolarHBondContact NH1-O 3.07Å
1015	P	27.4	Very low	28.8	Very low	114 Å²	114	138.5 Å²	138.5	74%	0.74	73%	0.732	S	S	*	*			trans	-102	154.1	143.5	29.2	-20.4	0	0	0	113.1	V1013	V1013-P1015 WeakPolarHBondContact O-CD 3.23Å
1016	Q	24.4	Very low	29.4	Very low	175.4 Å²	175.4	136.7 Å²	136.7	82%	0.82	72%	0.724	S	S	*	*			trans	-64.5	141	172.7	-68.4	169.2	-18.3	0	0	113.7
1017	L	25.4	Very low	30.1	Very low	154 Å²	154	133.9 Å²	133.9	81%	0.806	71%	0.714	S	S	*	*			trans	-104.3	118.1	160.1	-132.1	78.4	0	0	0	112.4	S1019	L1017-S1019 PolarHBondContact O-N 3.09Å
1018	N	24.9	Very low	30.7	Very low	147.4 Å²	147.4	131.9 Å²	131.9	79%	0.788	71%	0.708	S	S	*	*			trans	-104.4	114.7	160.7	-65.5	-32.4	0	0	0	113
1019	S	28.5	Very low	31.4	Very low	104.8 Å²	104.8	126.9 Å²	126.9	73%	0.733	69%	0.692	S	S	*	*			trans	-151.3	121.6	150	48.9	0	0	0	0	110.7	L1017 P1021	L1017-S1019 PolarHBondContact O-N 3.09Å; S1019-P1021 WeakPolarHBondContact O-CD 3.14Å
1020	E	27.8	Very low	32	Very low	184 Å²	184	125.8 Å²	125.8	86%	0.86	69%	0.685	S	S	*	*			trans	-84.7	140.6	170.5	-72.4	-175.1	142.6	0	0	110.8	S1022 L1215	E1020-S1022 PolarHBondContact O-N 2.78Å; E1020-L1215 WeakPolarHBondContact OE2-CD1 3.37Å
1021	P	29.3	Very low	32.7	Very low	101.8 Å²	101.8	121.8 Å²	121.8	66%	0.661	67%	0.668	S	S	*	*			trans	-93.4	122.9	-176.6	23.8	-19.1	0	0	0	112.3	S1019 S1023 L1027	S1019-P1021 WeakPolarHBondContact O-CD 3.14Å; P1021-S1023 PolarHBondContact O-N 3.16Å; P1021-S1023 VanDerWaalsContact O-N 3.16Å; P1021-L1027 HydrophobicContact CB-CD1 4.08Å; P1021-L1027 HydrophobicContact CG-CD1 4.16Å
1022	S	30.6	Very low	33.4	Very low	106.4 Å²	106.4	117.5 Å²	117.5	74%	0.744	65%	0.652	S	S	*	*			trans	-57.3	103.9	166.6	52.9	0	0	0	0	113.5	E1020 E1026	E1020-S1022 PolarHBondContact O-N 2.78Å; S1022-E1026 WeakPolarHBondContact CB-OE2 3.5Å
1023	S	41.1	Very low	34.3	Very low	57.2 Å²	57.2	113.3 Å²	113.3	40%	0.4	63%	0.632	S	S	.	*			trans	128.7	131.5	159.1	74.3	0	0	0	0	114.5	P1021 S1025 E1026 L1027	P1021-S1023 PolarHBondContact O-N 3.16Å; P1021-S1023 VanDerWaalsContact O-N 3.16Å; S1023-S1025 VanDerWaalsContact C-N 3.28Å; S1023-S1025 PolarHBondContact O-N 2.95Å; S1023-S1025 PolarHBondContact OG-OG 3.28Å; S1023-E1026 PolarHBondContact O-N 3.15Å; S1023-E1026 WeakPolarHBondContact OG-CG 3.24Å; S1023-E1026 PolarHBondContact OG-OE2 2.84Å; S1023-L1027 PolarHBondContact O-N 3Å
1024	T	36.1	Very low	35	Very low	125.4 Å²	125.4	111.8 Å²	111.8	77%	0.769	62%	0.619	S	S	*	*	H	α-helix	trans	-62	-19.1	175.1	46.9	0	0	0	0	113.7	E1026 L1027 L1028	T1024-E1026 PolarHBondContact O-N 2.98Å; T1024-L1027 PolarHBondContact O-N 3.27Å; T1024-L1028 WeakPolarHBondContact O-CB 3.35Å; T1024-L1028 PolarHBondContact O-N 3.17Å; T1024-L1028 VanDerWaalsContact O-N 3.12Å
1025	S	40.1	Very low	35.7	Very low	68 Å²	68	104.5 Å²	104.5	48%	0.476	60%	0.597	S	S	.	*	H	α-helix	trans	-69.8	-35.9	177.9	59.1	0	0	0	0	113.7	S1023 L1028 A1029	S1023-S1025 VanDerWaalsContact C-N 3.28Å; S1023-S1025 PolarHBondContact O-N 2.95Å; S1023-S1025 PolarHBondContact OG-OG 3.28Å; S1025-L1028 PolarHBondContact O-N 2.98Å; S1025-A1029 VanDerWaalsContact O-CB 3.3Å; S1025-A1029 WeakPolarHBondContact O-CB 3.33Å; S1025-A1029 PolarHBondContact O-N 3.2Å; S1025-A1029 VanDerWaalsContact O-N 3.12Å
1026	E	40.3	Very low	36.2	Very low	121.4 Å²	121.4	101.7 Å²	101.7	57%	0.567	58%	0.584	S	S	*	*	H	α-helix	trans	-76.1	-38.2	179.2	-68.8	-170.4	151.8	0	0	111.7	S1022 S1023 T1024 L1028 A1029 M1030	S1022-E1026 WeakPolarHBondContact CB-OE2 3.5Å; S1023-E1026 PolarHBondContact O-N 3.15Å; S1023-E1026 WeakPolarHBondContact OG-CG 3.24Å; S1023-E1026 PolarHBondContact OG-OE2 2.84Å; T1024-E1026 PolarHBondContact O-N 2.98Å; E1026-L1028 VanDerWaalsContact C-N 3.33Å; E1026-L1028 PolarHBondContact O-N 3.07Å; E1026-A1029 PolarHBondContact O-N 3.1Å; E1026-M1030 VanDerWaalsContact O-CB 3.27Å; E1026-M1030 WeakPolarHBondContact O-CB 3.3Å; E1026-M1030 PolarHBondContact O-N 3.1Å
1027	L	39.8	Very low	36.8	Very low	91 Å²	91	100.3 Å²	100.3	48%	0.476	58%	0.575	S	S	.	*	H	α-helix	trans	-61.1	-43.5	172.8	-166.7	77.6	0	0	0	110.9	P1021 S1023 T1024 A1029 M1030 I1031 S1942	P1021-L1027 HydrophobicContact CB-CD1 4.08Å; P1021-L1027 HydrophobicContact CG-CD1 4.16Å; S1023-L1027 PolarHBondContact O-N 3Å; T1024-L1027 PolarHBondContact O-N 3.27Å; L1027-A1029 VanDerWaalsContact C-N 3.3Å; L1027-A1029 PolarHBondContact O-N 2.81Å; L1027-M1030 PolarHBondContact O-N 3.32Å; L1027-I1031 HydrophobicContact CD1-CD1 4.19Å; L1027-I1031 HydrophobicContact CD2-CD1 4.32Å; L1027-I1031 HydrophobicContact CG-CD1 4.02Å; L1027-I1031 VanDerWaalsContact O-CB 3.32Å; L1027-I1031 WeakPolarHBondContact O-CB 3.4Å; L1027-I1031 VanDerWaalsContact O-CG1 3.26Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.39Å; L1027-I1031 PolarHBondContact O-N 3.14Å; L1027-S1942 WeakPolarHBondContact CD1-O 3.38Å; L1027-S1942 WeakPolarHBondContact CD2-O 3.44Å
1028	L	41.1	Very low	37.3	Very low	116.6 Å²	116.6	96.7 Å²	96.7	61%	0.61	56%	0.563	S	S	*	*	H	α-helix	trans	-64.4	-39.7	177.7	-151.5	78.7	0	0	0	111.9	L955 T1024 S1025 E1026 A1032	L955-L1028 HydrophobicContact CD2-CD1 3.72Å; L955-L1028 HydrophobicContact CD2-CD2 3.51Å; L955-L1028 HydrophobicContact CD2-CG 3.59Å; T1024-L1028 WeakPolarHBondContact O-CB 3.35Å; T1024-L1028 PolarHBondContact O-N 3.17Å; T1024-L1028 VanDerWaalsContact O-N 3.12Å; S1025-L1028 PolarHBondContact O-N 2.98Å; E1026-L1028 VanDerWaalsContact C-N 3.33Å; E1026-L1028 PolarHBondContact O-N 3.07Å; L1028-A1032 VanDerWaalsContact O-CB 3.28Å; L1028-A1032 WeakPolarHBondContact O-CB 3.39Å; L1028-A1032 PolarHBondContact O-N 3.13Å
1029	A	41.9	Very low	37.9	Very low	47.4 Å²	47.4	95.4 Å²	95.4	39%	0.392	56%	0.555	S	S	.	*	H	α-helix	trans	-67.5	-40.7	175.1	0	0	0	0	0	112.1	S1025 E1026 L1027 A1032 V1033	S1025-A1029 VanDerWaalsContact O-CB 3.3Å; S1025-A1029 WeakPolarHBondContact O-CB 3.33Å; S1025-A1029 PolarHBondContact O-N 3.2Å; S1025-A1029 VanDerWaalsContact O-N 3.12Å; E1026-A1029 PolarHBondContact O-N 3.1Å; L1027-A1029 VanDerWaalsContact C-N 3.3Å; L1027-A1029 PolarHBondContact O-N 2.81Å; A1029-A1032 PolarHBondContact O-N 3.06Å; A1029-V1033 WeakPolarHBondContact O-CB 3.35Å; A1029-V1033 VanDerWaalsContact O-CG2 3.32Å; A1029-V1033 WeakPolarHBondContact O-CG2 3.31Å; A1029-V1033 PolarHBondContact O-N 3.03Å
1030	M	39	Very low	38.2	Very low	107.8 Å²	107.8	97.3 Å²	97.3	53%	0.531	56%	0.557	S	S	.	*	H	α-helix	trans	-67.2	-40.9	176.9	-137.9	-179.4	-80.2	0	0	111.9	E1026 L1027 V1033 N1034	E1026-M1030 VanDerWaalsContact O-CB 3.27Å; E1026-M1030 WeakPolarHBondContact O-CB 3.3Å; E1026-M1030 PolarHBondContact O-N 3.1Å; L1027-M1030 PolarHBondContact O-N 3.32Å; M1030-V1033 PolarHBondContact O-N 3.07Å; M1030-N1034 VanDerWaalsContact O-CB 3.29Å; M1030-N1034 WeakPolarHBondContact O-CB 3.29Å; M1030-N1034 PolarHBondContact O-N 3.04Å; M1030-N1034 PolarHBondContact O-ND2 3.38Å
1031	I	44.1	Very low	38.4	Very low	80.2 Å²	80.2	91.2 Å²	91.2	41%	0.411	54%	0.544	S	S	.	.	H	α-helix	trans	-62.4	-45.4	172.5	-69.7	167.1	0	0	0	110.2	I951 L1027 V1033 N1034 L1035	I951-I1031 HydrophobicContact CD1-CG2 4.17Å; I951-I1031 HydrophobicContact CG2-CG2 4.49Å; L1027-I1031 HydrophobicContact CD1-CD1 4.19Å; L1027-I1031 HydrophobicContact CD2-CD1 4.32Å; L1027-I1031 HydrophobicContact CG-CD1 4.02Å; L1027-I1031 VanDerWaalsContact O-CB 3.32Å; L1027-I1031 WeakPolarHBondContact O-CB 3.4Å; L1027-I1031 VanDerWaalsContact O-CG1 3.26Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.39Å; L1027-I1031 PolarHBondContact O-N 3.14Å; I1031-V1033 VanDerWaalsContact C-N 3.33Å; I1031-V1033 PolarHBondContact O-N 3.01Å; I1031-N1034 PolarHBondContact O-N 3.26Å; I1031-L1035 HydrophobicContact CG2-CD1 4.21Å; I1031-L1035 WeakPolarHBondContact O-CB 3.37Å; I1031-L1035 PolarHBondContact O-N 3.17Å
1032	A	41.9	Very low	38.5	Very low	52.6 Å²	52.6	93.1 Å²	93.1	44%	0.435	55%	0.548	S	S	.	.	H	α-helix	trans	-63.2	-39.9	177.9	0	0	0	0	0	112.9	L1028 A1029 A1036	L1028-A1032 VanDerWaalsContact O-CB 3.28Å; L1028-A1032 WeakPolarHBondContact O-CB 3.39Å; L1028-A1032 PolarHBondContact O-N 3.13Å; A1029-A1032 PolarHBondContact O-N 3.06Å; A1032-A1036 VanDerWaalsContact O-CB 3.29Å; A1032-A1036 WeakPolarHBondContact O-CB 3.44Å; A1032-A1036 PolarHBondContact O-N 3.06Å
1033	V	45.8	Very low	38.4	Very low	69.2 Å²	69.2	96.7 Å²	96.7	42%	0.419	55%	0.553	S	S	.	*	H	α-helix	trans	-69.4	-38.6	176.5	168.7	0	0	0	0	111.7	A1029 M1030 I1031 A1036 K1037	A1029-V1033 WeakPolarHBondContact O-CB 3.35Å; A1029-V1033 VanDerWaalsContact O-CG2 3.32Å; A1029-V1033 WeakPolarHBondContact O-CG2 3.31Å; A1029-V1033 PolarHBondContact O-N 3.03Å; M1030-V1033 PolarHBondContact O-N 3.07Å; I1031-V1033 VanDerWaalsContact C-N 3.33Å; I1031-V1033 PolarHBondContact O-N 3.01Å; V1033-A1036 PolarHBondContact O-N 3.11Å; V1033-K1037 HydrophobicContact CG1-CD 4.3Å; V1033-K1037 WeakPolarHBondContact O-CB 3.33Å; V1033-K1037 WeakPolarHBondContact O-CG 3.42Å; V1033-K1037 PolarHBondContact O-N 3.08Å; V1033-K1037 VanDerWaalsContact O-N 3.17Å
1034	N	41.9	Very low	37.7	Very low	95.6 Å²	95.6	99.3 Å²	99.3	51%	0.511	57%	0.57	S	S	.	*	H	α-helix	trans	-72.1	-36.1	176.5	-74.7	-14.8	0	0	0	112.1	M1030 I1031 A1036 K1037 S1038	M1030-N1034 VanDerWaalsContact O-CB 3.29Å; M1030-N1034 WeakPolarHBondContact O-CB 3.29Å; M1030-N1034 PolarHBondContact O-N 3.04Å; M1030-N1034 PolarHBondContact O-ND2 3.38Å; I1031-N1034 PolarHBondContact O-N 3.26Å; N1034-A1036 VanDerWaalsContact C-N 3.28Å; N1034-A1036 PolarHBondContact O-N 3.47Å; N1034-K1037 CarbonylContact O-C 3.53Å; N1034-K1037 WeakPolarHBondContact O-CB 3.46Å; N1034-K1037 PolarHBondContact O-N 3.01Å; N1034-S1038 VanDerWaalsContact O-CB 3.22Å; N1034-S1038 WeakPolarHBondContact O-CB 3.35Å; N1034-S1038 PolarHBondContact O-N 2.98Å
1035	L	38.5	Very low	37.2	Very low	73.4 Å²	73.4	99.8 Å²	99.8	38%	0.384	57%	0.568	S	S	.	*	H	α-helix	trans	-66.8	-37.6	171.9	-117.1	159.9	0	0	0	112	K948 I951 I1031 K1037 S1038 L1039 L1680	K948-L1035 HydrophobicContact CG-CD1 4.43Å; K948-L1035 HydrophobicContact CG-CD2 4.29Å; I951-L1035 HydrophobicContact CD1-CD1 4.11Å; I1031-L1035 HydrophobicContact CG2-CD1 4.21Å; I1031-L1035 WeakPolarHBondContact O-CB 3.37Å; I1031-L1035 PolarHBondContact O-N 3.17Å; L1035-K1037 VanDerWaalsContact C-N 3.33Å; L1035-K1037 PolarHBondContact O-N 3.35Å; L1035-S1038 PolarHBondContact O-N 3.1Å; L1035-S1038 PolarHBondContact O-OG 2.95Å; L1035-L1039 HydrophobicContact CD2-CD1 4.03Å; L1035-L1039 HydrophobicContact CD2-CG 4.29Å; L1035-L1039 VanDerWaalsContact O-CB 3.31Å; L1035-L1039 WeakPolarHBondContact O-CB 3.41Å; L1035-L1039 WeakPolarHBondContact O-CD1 3.28Å; L1035-L1039 VanDerWaalsContact O-CG 3.27Å; L1035-L1039 WeakPolarHBondContact O-CG 3.45Å; L1035-L1039 PolarHBondContact O-N 3.27Å; L1035-L1039 VanDerWaalsContact O-N 3.11Å; L1035-L1680 HydrophobicContact CD1-CD2 4.1Å
1036	A	38.1	Very low	36.6	Very low	55.6 Å²	55.6	106.5 Å²	106.5	46%	0.46	59%	0.585	S	S	.	*	H	α-helix	trans	-65.6	-37.2	172.6	0	0	0	0	0	112.1	A1032 V1033 N1034 S1038 L1039 D1040	A1032-A1036 VanDerWaalsContact O-CB 3.29Å; A1032-A1036 WeakPolarHBondContact O-CB 3.44Å; A1032-A1036 PolarHBondContact O-N 3.06Å; V1033-A1036 PolarHBondContact O-N 3.11Å; N1034-A1036 VanDerWaalsContact C-N 3.28Å; N1034-A1036 PolarHBondContact O-N 3.47Å; A1036-S1038 VanDerWaalsContact C-N 3.34Å; A1036-S1038 PolarHBondContact O-N 3.07Å; A1036-L1039 PolarHBondContact O-N 3.23Å; A1036-L1039 VanDerWaalsContact O-N 3.12Å; A1036-D1040 PolarHBondContact O-N 3.04Å
1037	K	36.3	Very low	36	Very low	146.4 Å²	146.4	107.7 Å²	107.7	64%	0.637	60%	0.595	S	S	*	*	H	α-helix	trans	-72.9	-29.5	175.1	-77.3	-179.6	174.8	-177.3	0	113.7	V1033 N1034 L1035 L1039 D1040	V1033-K1037 HydrophobicContact CG1-CD 4.3Å; V1033-K1037 WeakPolarHBondContact O-CB 3.33Å; V1033-K1037 WeakPolarHBondContact O-CG 3.42Å; V1033-K1037 PolarHBondContact O-N 3.08Å; V1033-K1037 VanDerWaalsContact O-N 3.17Å; N1034-K1037 CarbonylContact O-C 3.53Å; N1034-K1037 WeakPolarHBondContact O-CB 3.46Å; N1034-K1037 PolarHBondContact O-N 3.01Å; L1035-K1037 VanDerWaalsContact C-N 3.33Å; L1035-K1037 PolarHBondContact O-N 3.35Å; K1037-L1039 VanDerWaalsContact C-N 3.33Å; K1037-L1039 PolarHBondContact O-N 3.24Å; K1037-D1040 PolarHBondContact O-N 3.01Å
1038	S	37.2	Very low	35.6	Very low	78.4 Å²	78.4	109.6 Å²	109.6	55%	0.548	61%	0.61	S	S	.	*	H	α-helix	trans	-76.5	-10.1	175.7	111.2	0	0	0	0	113.3	N1034 L1035 A1036 G1041	N1034-S1038 VanDerWaalsContact O-CB 3.22Å; N1034-S1038 WeakPolarHBondContact O-CB 3.35Å; N1034-S1038 PolarHBondContact O-N 2.98Å; L1035-S1038 PolarHBondContact O-N 3.1Å; L1035-S1038 PolarHBondContact O-OG 2.95Å; A1036-S1038 VanDerWaalsContact C-N 3.34Å; A1036-S1038 PolarHBondContact O-N 3.07Å; S1038-G1041 PolarHBondContact O-N 2.92Å
1039	L	35.7	Very low	35	Very low	121.2 Å²	121.2	111.3 Å²	111.3	64%	0.635	62%	0.615	S	S	*	*	H	α-helix	trans	-100.6	-16.1	-179.4	-75.7	166.2	0	0	0	113.4	L1035 A1036 K1037 G1041 D1042	L1035-L1039 HydrophobicContact CD2-CD1 4.03Å; L1035-L1039 HydrophobicContact CD2-CG 4.29Å; L1035-L1039 VanDerWaalsContact O-CB 3.31Å; L1035-L1039 WeakPolarHBondContact O-CB 3.41Å; L1035-L1039 WeakPolarHBondContact O-CD1 3.28Å; L1035-L1039 VanDerWaalsContact O-CG 3.27Å; L1035-L1039 WeakPolarHBondContact O-CG 3.45Å; L1035-L1039 PolarHBondContact O-N 3.27Å; L1035-L1039 VanDerWaalsContact O-N 3.11Å; A1036-L1039 PolarHBondContact O-N 3.23Å; A1036-L1039 VanDerWaalsContact O-N 3.12Å; K1037-L1039 VanDerWaalsContact C-N 3.33Å; K1037-L1039 PolarHBondContact O-N 3.24Å; L1039-G1041 VanDerWaalsContact C-N 3.33Å; L1039-G1041 PolarHBondContact O-N 3.14Å; L1039-D1042 PolarHBondContact O-N 3.09Å
1040	D	34.7	Very low	34.5	Very low	144 Å²	144	115.4 Å²	115.4	77%	0.77	63%	0.63	S	S	*	*	S	Bend	trans	-93.7	18.8	174.7	-82.4	-22.9	0	0	0	112.3	A1036 K1037	A1036-D1040 PolarHBondContact O-N 3.04Å; K1037-D1040 PolarHBondContact O-N 3.01Å
1041	G	32.8	Very low	34.1	Very low	56 Å²	56	116.4 Å²	116.4	58%	0.577	64%	0.637	S	S	*	*			trans	-105.4	9.7	-179.3	0	0	0	0	0	113.7	S1038 L1039 Q1043	S1038-G1041 PolarHBondContact O-N 2.92Å; L1039-G1041 VanDerWaalsContact C-N 3.33Å; L1039-G1041 PolarHBondContact O-N 3.14Å; G1041-Q1043 PolarHBondContact O-N 3.03Å; G1041-Q1043 VanDerWaalsContact O-N 3.07Å
1042	D	31.6	Very low	33.4	Very low	141.4 Å²	141.4	119.1 Å²	119.1	76%	0.756	65%	0.653	S	S	*	*			trans	-117.5	70	-179.9	-79.5	-28.4	0	0	0	112.7	L1039	L1039-D1042 PolarHBondContact O-N 3.09Å
1043	Q	28.6	Very low	33	Very low	181.2 Å²	181.2	123.8 Å²	123.8	85%	0.847	67%	0.67	S	S	*	*			trans	-117.7	93.4	170.8	-80.2	178.7	-6.3	0	0	112.9	G1041 N1045	G1041-Q1043 PolarHBondContact O-N 3.03Å; G1041-Q1043 VanDerWaalsContact O-N 3.07Å; Q1043-N1045 PolarHBondContact O-N 2.85Å
1044	C	25.6	Very low	32.1	Very low	112.6 Å²	112.6	127.8 Å²	127.8	76%	0.761	69%	0.688	S	S	*	*			trans	-130.7	116.2	159.4	-72.4	0	0	0	0	112.2
1045	N	25.5	Very low	31.6	Very low	136.8 Å²	136.8	127.6 Å²	127.6	73%	0.732	70%	0.699	S	S	*	*			trans	160.3	117.1	150.1	-87.3	-8.8	0	0	0	114.5	Q1043	Q1043-N1045 PolarHBondContact O-N 2.85Å
1046	Y	28.9	Very low	30.9	Very low	208.6 Å²	208.6	130.8 Å²	130.8	82%	0.818	72%	0.717	S	S	*	*			trans	154.9	112.3	144.7	-79.1	-69.3	0	0	0	113.3
1047	D	26.8	Very low	30.5	Very low	146.6 Å²	146.6	134.1 Å²	134.1	78%	0.784	74%	0.736	S	S	*	*			trans	-179.9	133.5	150.6	-67.8	-35.5	0	0	0	112.3
1048	V	31.7	Very low	30	Very low	129.8 Å²	129.8	131.4 Å²	131.4	79%	0.787	74%	0.735	S	S	*	*			trans	-174.3	140	144.3	145.6	0	0	0	0	109.2
1049	E	28.9	Very low	29.6	Very low	153.4 Å²	153.4	134.1 Å²	134.1	72%	0.717	74%	0.743	S	S	*	*			trans	-134	141	166.9	-72.4	163	-179.8	0	0	115.1	R1073 N1074 C1075	E1049-R1073 WeakPolarHBondContact OE2-CA 3.36Å; E1049-N1074 WeakPolarHBondContact CB-O 3.12Å; E1049-N1074 PolarHBondContact OE2-N 3.07Å; E1049-C1075 VanDerWaalsContact C-SG 3.56Å
1050	N	30.9	Very low	29.4	Very low	132.2 Å²	132.2	137.1 Å²	137.1	71%	0.707	75%	0.751	S	S	*	*			trans	-159	122.8	148.9	-103.6	-7.5	0	0	0	114.7	C1075	N1050-C1075 HydrophobicContact CB-CB 4.03Å; N1050-C1075 VanDerWaalsContact N-CB 3.25Å; N1050-C1075 PolarHBondContact N-SG 2.99Å; N1050-C1075 WeakPolarHBondContact O-CB 3.23Å; N1050-C1075 PolarHBondContact O-SG 3.24Å
1051	D	30.9	Very low	29.1	Very low	128.8 Å²	128.8	139 Å²	139	69%	0.689	75%	0.753	S	S	*	*			trans	-74.1	138.9	158	-88.5	-26.1	0	0	0	116.4	D1053	D1051-D1053 PolarHBondContact O-N 3.48Å; D1051-D1053 VanDerWaalsContact O-N 3.14Å
1052	N	29.9	Very low	28.9	Very low	136.8 Å²	136.8	142 Å²	142	73%	0.732	76%	0.76	S	S	*	*				161.1	116.2	129.2	-81.1	-54.1	0	0	0	115.2
1053	D	32.7	Very low	28.8	Very low	151.4 Å²	151.4	140.1 Å²	140.1	81%	0.81	76%	0.755	S	S	*	*			trans	174.4	77.8	154.9	-94.9	-19	0	0	0	114.7	D1051 A1055	D1051-D1053 PolarHBondContact O-N 3.48Å; D1051-D1053 VanDerWaalsContact O-N 3.14Å; D1053-A1055 VanDerWaalsContact C-N 3.31Å; D1053-A1055 PolarHBondContact O-N 3.34Å
1054	I	27.9	Very low	28.9	Very low	153.8 Å²	153.8	137.6 Å²	137.6	79%	0.789	76%	0.756	S	S	*	*			trans	-50	94	149.9	-56.5	170.4	0	0	0	112.3	N1056	I1054-N1056 VanDerWaalsContact C-N 3.25Å; I1054-N1056 PolarHBondContact O-N 2.9Å
1055	A	29.3	Very low	29.2	Very low	90.6 Å²	90.6	140.4 Å²	140.4	75%	0.749	76%	0.758	S	S	*	*			trans	-127.5	97.4	157.6	0	0	0	0	0	113	D1053 C1057	D1053-A1055 VanDerWaalsContact C-N 3.31Å; D1053-A1055 PolarHBondContact O-N 3.34Å; A1055-C1057 PolarHBondContact O-N 3.08Å; A1055-C1057 VanDerWaalsContact O-N 3.14Å; A1055-C1057 PolarHBondContact O-SG 3.05Å
1056	N	25.7	Very low	29.5	Very low	141 Å²	141	143.5 Å²	143.5	75%	0.754	77%	0.765	S	S	*	*			trans	-19.8	106.3	165	-131.3	-16.5	0	0	0	116.2	I1054 S1058	I1054-N1056 VanDerWaalsContact C-N 3.25Å; I1054-N1056 PolarHBondContact O-N 2.9Å; N1056-S1058 VanDerWaalsContact C-N 3.25Å; N1056-S1058 PolarHBondContact O-N 3.21Å; N1056-S1058 PolarHBondContact OD1-OG 3.18Å
1057	C	28.3	Very low	29.5	Very low	126 Å²	126	143.7 Å²	143.7	85%	0.851	76%	0.764	S	S	*	*			trans	-132.8	73.1	149.3	-98.7	0	0	0	0	113.1	A1055 N1059	A1055-C1057 PolarHBondContact O-N 3.08Å; A1055-C1057 VanDerWaalsContact O-N 3.14Å; A1055-C1057 PolarHBondContact O-SG 3.05Å; C1057-N1059 PolarHBondContact O-N 3.21Å
1058	S	27	Very low	29.7	Very low	88 Å²	88	141.6 Å²	141.6	62%	0.615	77%	0.767	S	S	*	*			trans	-94.1	132.3	179.1	61.5	0	0	0	0	112.9	N1056	N1056-S1058 VanDerWaalsContact C-N 3.25Å; N1056-S1058 PolarHBondContact O-N 3.21Å; N1056-S1058 PolarHBondContact OD1-OG 3.18Å
1059	N	28.7	Very low	29.5	Very low	136.6 Å²	136.6	138.8 Å²	138.8	73%	0.73	77%	0.765	S	S	*	*			trans	152.1	81.6	160.7	-81.5	-48.1	0	0	0	116.4	C1057	C1057-N1059 PolarHBondContact O-N 3.21Å
1060	K	30.3	Very low	29.6	Very low	182.8 Å²	182.8	140.8 Å²	140.8	80%	0.795	77%	0.771	S	S	*	*			trans	-162.6	93.3	150.8	-85.2	168.7	-176.3	170.6	0	114.9
1061	F	28.3	Very low	29.5	Very low	184.6 Å²	184.6	142.2 Å²	142.2	81%	0.81	78%	0.777	S	S	*	*			trans	48.9	83.5	159.8	-68.4	-75.1	0	0	0	116.5	P1063	F1061-P1063 WeakPolarHBondContact O-CD 3.26Å
1062	V	29.4	Very low	29.5	Very low	119.4 Å²	119.4	146.9 Å²	146.9	72%	0.724	79%	0.786	S	S	*	*			trans	-129.2	125.5	141.4	173.9	0	0	0	0	108.7	C1064	V1062-C1064 PolarHBondContact O-N 3.37Å
1063	P	30.4	Very low	29.4	Very low	100.4 Å²	100.4	150.6 Å²	150.6	65%	0.652	79%	0.789	S	S	*	*			trans	-99.4	136.8	170.6	18.1	-7.3	0	0	0	114	I443 F1061 Q1065	I443-P1063 HydrophobicContact CD1-CG 3.85Å; F1061-P1063 WeakPolarHBondContact O-CD 3.26Å; P1063-Q1065 PolarHBondContact O-N 3.31Å
1064	C	30	Very low	29.2	Very low	129.6 Å²	129.6	150.1 Å²	150.1	88%	0.876	79%	0.787	S	S	*	*			trans	-87.3	61.5	173.6	-65.2	0	0	0	0	115.2	V1062 K1066	V1062-C1064 PolarHBondContact O-N 3.37Å; C1064-K1066 VanDerWaalsContact C-N 3.34Å; C1064-K1066 PolarHBondContact O-N 3.07Å
1065	Q	31.1	Very low	29.2	Very low	172.2 Å²	172.2	147.9 Å²	147.9	81%	0.805	78%	0.784	S	S	*	*			trans	-109.8	33.8	-179.3	-129.8	178.9	-2.8	0	0	114.9	P1063 R1067	P1063-Q1065 PolarHBondContact O-N 3.31Å; Q1065-R1067 VanDerWaalsContact C-N 3.31Å; Q1065-R1067 PolarHBondContact O-N 3.45Å
1066	K	32.1	Very low	29.2	Very low	201.6 Å²	201.6	149.2 Å²	149.2	88%	0.877	79%	0.785	S	S	*	*			trans	-140.8	52	173.5	-93.5	171.1	-178.8	173.8	0	112.9	C1064 A1068	C1064-K1066 VanDerWaalsContact C-N 3.34Å; C1064-K1066 PolarHBondContact O-N 3.07Å; K1066-A1068 VanDerWaalsContact C-N 3.35Å
1067	R	28.5	Very low	29.1	Very low	212.4 Å²	212.4	147.9 Å²	147.9	80%	0.802	79%	0.787	S	S	*	*			trans	-126.4	26.4	158.8	-165	178.9	-134.1	174.7	-0.4	113.2	Q1065 G1069	Q1065-R1067 VanDerWaalsContact C-N 3.31Å; Q1065-R1067 PolarHBondContact O-N 3.45Å; R1067-G1069 PolarHBondContact O-N 2.97Å
1068	A	31.2	Very low	29.1	Very low	102 Å²	102	149.5 Å²	149.5	84%	0.843	79%	0.785	S	S	*	*			trans	-96.5	22.1	-172.5	0	0	0	0	0	113.9	K1066 K1070	K1066-A1068 VanDerWaalsContact C-N 3.35Å; A1068-K1070 PolarHBondContact O-N 3.42Å
1069	G	28.5	Very low	29.1	Very low	71.4 Å²	71.4	150.9 Å²	150.9	74%	0.736	79%	0.79	S	S	*	*			trans	-153.9	64.4	-146	0	0	0	0	0	116.3	R1067	R1067-G1069 PolarHBondContact O-N 2.97Å
1070	K	29.7	Very low	29	Very low	196 Å²	196	152.8 Å²	152.8	85%	0.852	80%	0.796	S	S	*	*			trans	-167.1	60.8	175.8	-97.4	179.9	178.8	-178.8	0	116.8	A1068	A1068-K1070 PolarHBondContact O-N 3.42Å
1071	L	29.3	Very low	28.8	Very low	159.8 Å²	159.8	150.4 Å²	150.4	84%	0.837	79%	0.792	S	S	*	*			trans	-120.8	71.8	166	-69.9	167.7	0	0	0	112.5
1072	R	30.4	Very low	28.9	Very low	228.8 Å²	228.8	147.1 Å²	147.1	86%	0.863	79%	0.789	S	S	*	*			trans	-134.2	81.8	140.1	-105.6	-174.6	-176.9	-173.8	1.2	111.5	N1074	R1072-N1074 PolarHBondContact O-N 3.26Å
1073	R	29.2	Very low	29.1	Very low	213.8 Å²	213.8	147.3 Å²	147.3	81%	0.807	79%	0.793	S	S	*	*			trans	-114.4	136.1	169.2	-92.5	-179.6	-177.9	159.8	-1.8	111.4	E1049 C1075	E1049-R1073 WeakPolarHBondContact OE2-CA 3.36Å; R1073-C1075 PolarHBondContact O-N 3.37Å
1074	N	27.9	Very low	28.9	Very low	141.2 Å²	141.2	148.2 Å²	148.2	76%	0.755	80%	0.797	S	S	*	*			trans	63.2	113.4	162.2	-57.8	5.7	0	0	0	116.3	E1049 R1072	E1049-N1074 WeakPolarHBondContact CB-O 3.12Å; E1049-N1074 PolarHBondContact OE2-N 3.07Å; R1072-N1074 PolarHBondContact O-N 3.26Å
1075	C	27.1	Very low	28.8	Very low	107 Å²	107	148.8 Å²	148.8	72%	0.723	79%	0.791	S	S	*	*				-133.5	155.6	105.3	-90	0	0	0	0	109.7	E1049 N1050 R1073	E1049-C1075 VanDerWaalsContact C-SG 3.56Å; N1050-C1075 HydrophobicContact CB-CB 4.03Å; N1050-C1075 VanDerWaalsContact N-CB 3.25Å; N1050-C1075 PolarHBondContact N-SG 2.99Å; N1050-C1075 WeakPolarHBondContact O-CB 3.23Å; N1050-C1075 PolarHBondContact O-SG 3.24Å; R1073-C1075 PolarHBondContact O-N 3.37Å
1076	P	29.3	Very low	28.6	Very low	118.4 Å²	118.4	145.8 Å²	145.8	77%	0.769	79%	0.785	S	S	*	*			trans	-87.9	157.2	-163.8	19.1	-12.3	0	0	0	115.3	I1078	P1076-I1078 PolarHBondContact O-N 3Å; P1076-I1078 VanDerWaalsContact O-N 3.07Å
1077	S	25.2	Very low	28.4	Very low	114.2 Å²	114.2	143 Å²	143	80%	0.799	78%	0.779	S	S	*	*			trans	-63.9	134.8	173.9	37	0	0	0	0	114.1	V1079	S1077-V1079 PolarHBondContact O-N 3.05Å
1078	I	27.8	Very low	28.4	Very low	160 Å²	160	138.4 Å²	138.4	82%	0.821	77%	0.774	S	S	*	*			trans	-122.6	131.6	158.6	-75.7	174.6	0	0	0	108.3	P1076 M1080	P1076-I1078 PolarHBondContact O-N 3Å; P1076-I1078 VanDerWaalsContact O-N 3.07Å; I1078-M1080 HydrophobicContact CG2-CG 4.26Å; I1078-M1080 PolarHBondContact O-N 3.34Å
1079	V	25.7	Very low	28.3	Very low	117 Å²	117	140.9 Å²	140.9	71%	0.709	77%	0.774	S	S	*	*			trans	-87.4	140.3	171.6	174.4	0	0	0	0	108.7	S1077	S1077-V1079 PolarHBondContact O-N 3.05Å
1080	M	28.5	Very low	28.2	Very low	175.4 Å²	175.4	141.6 Å²	141.6	86%	0.864	78%	0.78	S	S	*	*			trans	-148.8	129.5	157.3	-93.8	-70.3	-170.8	0	0	109.7	I1078	I1078-M1080 HydrophobicContact CG2-CG 4.26Å; I1078-M1080 PolarHBondContact O-N 3.34Å
1081	D	26	Very low	28.1	Very low	134 Å²	134	135.8 Å²	135.8	72%	0.717	78%	0.777	S	S	*	*			trans	-68.4	155.7	177.7	-65.8	-50.1	0	0	0	115.5	P1083	D1081-P1083 WeakPolarHBondContact O-CD 3.49Å
1082	P	30.6	Very low	27.9	Very low	113.8 Å²	113.8	138.8 Å²	138.8	74%	0.739	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-88.4	145.3	-176.4	34.7	-34.5	0	0	0	113.5	T1084	P1082-T1084 PolarHBondContact O-N 3.41Å
1083	P	32.1	Very low	27.7	Very low	125 Å²	125	136.1 Å²	136.1	81%	0.812	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-92.7	126.3	168.4	32.9	-27.8	0	0	0	112.2	D1081	D1081-P1083 WeakPolarHBondContact O-CD 3.49Å
1084	T	26	Very low	27.5	Very low	119.6 Å²	119.6	132.6 Å²	132.6	73%	0.734	78%	0.778	S	S	*	*			trans	-66.1	150.5	160.8	54.4	0	0	0	0	114.3	P1082	P1082-T1084 PolarHBondContact O-N 3.41Å
1085	N	28.2	Very low	27.4	Very low	141.4 Å²	141.4	133.4 Å²	133.4	76%	0.756	78%	0.781	S	S	*	*			trans	119.2	125.3	150.8	-70.7	-9.9	0	0	0	114.7
1086	T	27.2	Very low	27.2	Very low	108.8 Å²	108.8	134.7 Å²	134.7	67%	0.667	79%	0.786	S	S	*	*				100.9	142	71	49.7	0	0	0	0	114.8
1087	D	27.9	Very low	27.1	Very low	142.6 Å²	142.6	135.3 Å²	135.3	76%	0.763	79%	0.787	S	S	*	*			trans	97.2	121.7	146.6	-62.1	-26.6	0	0	0	117.9
1088	V	28.7	Very low	27.1	Very low	115.2 Å²	115.2	133.1 Å²	133.1	70%	0.698	78%	0.783	S	S	*	*				121.9	127.2	68.8	156.2	0	0	0	0	113.2
1089	N	28.5	Very low	27	Very low	156.4 Å²	156.4	133 Å²	133	84%	0.836	78%	0.782	S	S	*	*			trans	80.2	113.1	162.4	-64.3	-21.2	0	0	0	117.2
1090	G	26.3	Very low	27.1	Very low	84.2 Å²	84.2	133.1 Å²	133.1	87%	0.868	78%	0.783	S	S	*	*				106.9	125	92.8	0	0	0	0	0	114.2
1091	G	27.5	Very low	27	Very low	75.2 Å²	75.2	132 Å²	132	78%	0.775	78%	0.781	S	S	*	*			trans	175.4	96.5	175.4	0	0	0	0	0	112.8	L1093	G1091-L1093 PolarHBondContact O-N 2.88Å
1092	Y	25	Very low	27.1	Very low	222.8 Å²	222.8	130.6 Å²	130.6	87%	0.874	78%	0.782	S	S	*	*			trans	-80.9	129.7	170.8	-81.5	-94.5	0	0	0	111.5
1093	L	27.5	Very low	26.9	Very low	172.6 Å²	172.6	133.6 Å²	133.6	90%	0.904	79%	0.788	S	S	*	*			trans	-132.9	120.6	148	-97.1	165.6	0	0	0	110.2	G1091 L1095	G1091-L1093 PolarHBondContact O-N 2.88Å; L1093-L1095 PolarHBondContact O-N 2.91Å
1094	N	24.5	Very low	26.7	Very low	140.4 Å²	140.4	131.4 Å²	131.4	75%	0.751	79%	0.787	S	S	*	*			trans	-85	139.8	171.6	-86.8	-28.8	0	0	0	110.4	T1096	N1094-T1096 PolarHBondContact O-N 3.33Å
1095	L	25.2	Very low	26.7	Very low	158 Å²	158	131.5 Å²	131.5	83%	0.827	79%	0.788	S	S	*	*			trans	-138.1	110.7	163	-143.2	87	0	0	0	112.1	L1093 V1097	L1093-L1095 PolarHBondContact O-N 2.91Å; L1095-V1097 HydrophobicContact CD2-CG2 3.93Å; L1095-V1097 HydrophobicContact CG-CG2 3.93Å; L1095-V1097 PolarHBondContact O-N 3.11Å; L1095-V1097 VanDerWaalsContact O-N 3.16Å
1096	T	24	Very low	26.7	Very low	134 Å²	134	129.2 Å²	129.2	82%	0.822	78%	0.783	S	S	*	*			trans	-97.3	115.5	175.5	32.6	0	0	0	0	110.8	N1094 G1098	N1094-T1096 PolarHBondContact O-N 3.33Å; T1096-G1098 PolarHBondContact O-N 3.16Å
1097	V	26.8	Very low	26.6	Very low	130.8 Å²	130.8	133.2 Å²	133.2	79%	0.793	79%	0.792	S	S	*	*			trans	-108.8	115.9	170.1	-178.2	0	0	0	0	109.3	L1095 I1099	L1095-V1097 HydrophobicContact CD2-CG2 3.93Å; L1095-V1097 HydrophobicContact CG-CG2 3.93Å; L1095-V1097 PolarHBondContact O-N 3.11Å; L1095-V1097 VanDerWaalsContact O-N 3.16Å; V1097-I1099 HydrophobicContact CG1-CD1 4.25Å; V1097-I1099 HydrophobicContact CG1-CG1 3.79Å; V1097-I1099 PolarHBondContact O-N 3.18Å; V1097-I1099 VanDerWaalsContact O-N 3.08Å
1098	G	25	Very low	26.6	Very low	68.4 Å²	68.4	130.2 Å²	130.2	71%	0.705	79%	0.786	S	S	*	*			trans	-75.7	108	175.1	0	0	0	0	0	114.8	T1096 T1100	T1096-G1098 PolarHBondContact O-N 3.16Å; G1098-T1100 PolarHBondContact O-N 3.11Å; G1098-T1100 VanDerWaalsContact O-N 3.1Å
1099	I	26.5	Very low	26.5	Very low	157 Å²	157	130.1 Å²	130.1	81%	0.805	79%	0.786	S	S	*	*			trans	-82.4	109	168.2	-61.2	173.7	0	0	0	108.7	V1097 N1101	V1097-I1099 HydrophobicContact CG1-CD1 4.25Å; V1097-I1099 HydrophobicContact CG1-CG1 3.79Å; V1097-I1099 PolarHBondContact O-N 3.18Å; V1097-I1099 VanDerWaalsContact O-N 3.08Å; I1099-N1101 VanDerWaalsContact C-N 3.28Å; I1099-N1101 WeakPolarHBondContact CG2-OD1 3.38Å; I1099-N1101 PolarHBondContact O-N 3.32Å
1100	T	26.8	Very low	26.4	Very low	118.8 Å²	118.8	128.9 Å²	128.9	73%	0.729	79%	0.785	S	S	*	*			trans	-94	114.8	170	51.8	0	0	0	0	110.8	G1098 S1102	G1098-T1100 PolarHBondContact O-N 3.11Å; G1098-T1100 VanDerWaalsContact O-N 3.1Å; T1100-S1102 PolarHBondContact O-N 3.34Å; T1100-S1102 VanDerWaalsContact O-N 3.11Å
1101	N	27	Very low	26.5	Very low	153.4 Å²	153.4	131 Å²	131	82%	0.82	78%	0.781	S	S	*	*			trans	-66.5	112	162.1	-77.9	-28.3	0	0	0	111.9	I1099	I1099-N1101 VanDerWaalsContact C-N 3.28Å; I1099-N1101 WeakPolarHBondContact CG2-OD1 3.38Å; I1099-N1101 PolarHBondContact O-N 3.32Å
1102	S	26.9	Very low	26.4	Very low	105 Å²	105	131.7 Å²	131.7	73%	0.734	78%	0.779	S	S	*	*			trans	-145.3	116.6	160.2	105	0	0	0	0	111.5	T1100 G1104	T1100-S1102 PolarHBondContact O-N 3.34Å; T1100-S1102 VanDerWaalsContact O-N 3.11Å; S1102-G1104 PolarHBondContact O-N 3Å
1103	M	27.5	Very low	26.5	Very low	176.8 Å²	176.8	126.8 Å²	126.8	87%	0.871	77%	0.773	S	S	*	*			trans	-98.3	129.3	163.8	-86	-173.1	-114.7	0	0	109.7	T1105	M1103-T1105 VanDerWaalsContact C-N 3.31Å; M1103-T1105 PolarHBondContact O-N 2.9Å
1104	G	27.3	Very low	26.6	Very low	77.6 Å²	77.6	124.8 Å²	124.8	80%	0.8	77%	0.768	S	S	*	*			trans	101.8	55.1	169.1	0	0	0	0	0	116.9	S1102 S1106	S1102-G1104 PolarHBondContact O-N 3Å; G1104-S1106 PolarHBondContact O-N 3.01Å
1105	T	26.5	Very low	26.7	Very low	121.8 Å²	121.8	122.4 Å²	122.4	75%	0.747	77%	0.768	S	S	*	*			trans	-94.5	107	165	44.5	0	0	0	0	110.6	M1103 F1107	M1103-T1105 VanDerWaalsContact C-N 3.31Å; M1103-T1105 PolarHBondContact O-N 2.9Å; T1105-F1107 VanDerWaalsContact C-N 3.27Å; T1105-F1107 PolarHBondContact O-N 3.26Å
1106	S	27.3	Very low	26.8	Very low	93.8 Å²	93.8	120.4 Å²	120.4	66%	0.656	77%	0.765	S	S	*	*			trans	-96.3	93.4	172.6	64.6	0	0	0	0	110.1	R740 G1104 A1108	R740-S1106 VanDerWaalsContact NH1-CB 3.34Å; R740-S1106 PolarHBondContact NH1-OG 2.88Å; G1104-S1106 PolarHBondContact O-N 3.01Å; S1106-A1108 PolarHBondContact O-N 3.21Å; S1106-A1108 VanDerWaalsContact O-N 3.08Å
1107	F	26.8	Very low	27	Very low	193.2 Å²	193.2	122.4 Å²	122.4	85%	0.847	77%	0.769	S	S	*	*			trans	-61.3	109.4	153.2	-117.4	-87.3	0	0	0	110.5	T1105 T1109 M1208	T1105-F1107 VanDerWaalsContact C-N 3.27Å; T1105-F1107 PolarHBondContact O-N 3.26Å; F1107-T1109 VanDerWaalsContact C-N 3.33Å; F1107-T1109 PolarHBondContact O-N 2.97Å; F1107-M1208 HydrophobicContact CE2-CE 4.17Å
1108	A	27.2	Very low	27	Very low	79 Å²	79	124.4 Å²	124.4	65%	0.653	77%	0.769	S	S	*	*			trans	-109.5	132.3	175.3	0	0	0	0	0	111	S1106	S1106-A1108 PolarHBondContact O-N 3.21Å; S1106-A1108 VanDerWaalsContact O-N 3.08Å
1109	T	26.2	Very low	27.2	Very low	113.8 Å²	113.8	126 Å²	126	70%	0.698	77%	0.767	S	S	*	*			trans	98.5	94.8	163.5	30.8	0	0	0	0	112.8	F1107 I1768	F1107-T1109 VanDerWaalsContact C-N 3.33Å; F1107-T1109 PolarHBondContact O-N 2.97Å; T1109-I1768 HydrophobicContact CG2-CD1 3.96Å
1110	T	27.4	Very low	27.2	Very low	130.6 Å²	130.6	128.9 Å²	128.9	80%	0.801	77%	0.77	S	S	*	*				-152.2	115.4	128.6	6.4	0	0	0	0	110.4	A1112	T1110-A1112 PolarHBondContact O-N 2.69Å
1111	T	27.1	Very low	27.1	Very low	127.2 Å²	127.2	128.2 Å²	128.2	78%	0.78	77%	0.77	S	S	*	*			trans	-85.2	113	171	35.8	0	0	0	0	112.3	T1113 E1763	T1111-T1113 PolarHBondContact O-N 3.07Å; T1111-T1113 VanDerWaalsContact O-N 3.07Å; T1111-E1763 PolarHBondContact OG1-OE2 3.35Å
1112	A	26.1	Very low	26.9	Very low	90.8 Å²	90.8	126 Å²	126	75%	0.75	77%	0.766	S	S	*	*			trans	-117.2	137.8	168.1	0	0	0	0	0	111.3	T1110 T1114	T1110-A1112 PolarHBondContact O-N 2.69Å; A1112-T1114 PolarHBondContact O-N 2.96Å
1113	T	26.8	Very low	27	Very low	119.4 Å²	119.4	126.9 Å²	126.9	73%	0.733	77%	0.767	S	S	*	*			trans	20.5	102.5	164.4	53.3	0	0	0	0	115	R755 T1111 A1115	R755-T1113 PolarHBondContact NH2-O 3.23Å; T1111-T1113 PolarHBondContact O-N 3.07Å; T1111-T1113 VanDerWaalsContact O-N 3.07Å; T1113-A1115 PolarHBondContact O-N 3.24Å
1114	T	29.2	Very low	26.8	Very low	130 Å²	130	126.8 Å²	126.8	80%	0.798	77%	0.765	S	S	*	*				-153.7	130.2	126.6	33.3	0	0	0	0	110.3	R755 A1112 N1967	R755-T1114 PolarHBondContact NE-OG1 2.72Å; A1112-T1114 PolarHBondContact O-N 2.96Å; T1114-N1967 PolarHBondContact OG1-ND2 3.31Å
1115	A	27.3	Very low	26.9	Very low	91.4 Å²	91.4	127.4 Å²	127.4	76%	0.755	76%	0.761	S	S	*	*			trans	-84.6	154	177.1	0	0	0	0	0	111.4	T1113 L1117	T1113-A1115 PolarHBondContact O-N 3.24Å; A1115-L1117 PolarHBondContact O-N 3.44Å
1116	P	27.5	Very low	26.9	Very low	116.6 Å²	116.6	128.4 Å²	128.4	76%	0.757	76%	0.762	S	S	*	*			trans	-85.7	133.9	-172.4	33.7	-34.2	0	0	0	112.5	H1118	P1116-H1118 PolarHBondContact O-N 3.46Å
1117	L	26.9	Very low	26.9	Very low	174 Å²	174	131 Å²	131	91%	0.911	77%	0.769	S	S	*	*			trans	-116.7	128.8	165	-95.5	160.6	0	0	0	110.6	A1115 P1119	A1115-L1117 PolarHBondContact O-N 3.44Å; L1117-P1119 WeakPolarHBondContact O-CD 3.41Å
1118	H	27.2	Very low	26.9	Very low	174.4 Å²	174.4	125.8 Å²	125.8	81%	0.807	76%	0.762	S	S	*	*			trans	-81.2	152.7	175.5	-105.6	-98.5	0	0	0	110.9	P1116 Y1120	P1116-H1118 PolarHBondContact O-N 3.46Å; H1118-Y1120 PolarHBondContact O-N 3.2Å
1119	P	28.7	Very low	26.9	Very low	102 Å²	102	129.5 Å²	129.5	66%	0.662	77%	0.769	S	S	*	*			trans	-98.7	152.6	178.7	36.3	-30.2	0	0	0	112.6	L1117	L1117-P1119 WeakPolarHBondContact O-CD 3.41Å
1120	Y	27.3	Very low	26.9	Very low	218.2 Å²	218.2	131.5 Å²	131.5	86%	0.856	77%	0.772	S	S	*	*			trans	152.3	134.2	158	-85	-78	0	0	0	114.3	H1118	H1118-Y1120 PolarHBondContact O-N 3.2Å
1121	S	24.3	Very low	26.8	Very low	103.6 Å²	103.6	131.4 Å²	131.4	72%	0.724	77%	0.766	S	S	*	*			trans	32.6	146.7	139.8	58.4	0	0	0	0	119
1122	S	23.4	Very low	26.9	Very low	107 Å²	107	131.2 Å²	131.2	75%	0.748	76%	0.761	S	S	*	*			trans	110.4	153.5	146.3	62	0	0	0	0	117.7
1123	V	28.4	Very low	27	Very low	123.8 Å²	123.8	132.9 Å²	132.9	75%	0.75	76%	0.756	S	S	*	*			trans	92.8	97.9	164.7	-167.5	0	0	0	0	113.7
1124	E	23.5	Very low	27.1	Very low	175.4 Å²	175.4	137.4 Å²	137.4	82%	0.82	76%	0.761	S	S	*	*				58.5	144.9	91.7	-67.8	-175.1	147.9	0	0	119.2
1125	A	28.5	Very low	26.9	Very low	88.6 Å²	88.6	137.2 Å²	137.2	73%	0.732	76%	0.755	S	S	*	*			trans	101.6	104.2	154.4	0	0	0	0	0	117.7
1126	N	26.5	Very low	27	Very low	143.8 Å²	143.8	141.7 Å²	141.7	77%	0.769	76%	0.758	S	S	*	*				76.7	142.4	122.3	-68.5	11.3	0	0	0	118.9
1127	D	28	Very low	26.9	Very low	148.8 Å²	148.8	142.7 Å²	142.7	80%	0.796	76%	0.757	S	S	*	*			trans	106.5	126.4	135.7	-71.6	-26.5	0	0	0	116.3
1128	A	26.2	Very low	26.9	Very low	83.8 Å²	83.8	139.1 Å²	139.1	69%	0.693	75%	0.746	S	S	*	*				96.7	146.5	72	0	0	0	0	0	114.3
1129	I	27.4	Very low	26.9	Very low	156 Å²	156	137 Å²	137	80%	0.8	74%	0.741	S	S	*	*			trans	121.8	125	137.5	-75.9	162.8	0	0	0	114.2
1130	M	26.1	Very low	26.8	Very low	157 Å²	157	141.2 Å²	141.2	77%	0.773	74%	0.744	S	S	*	*			trans	77.5	136.2	134.6	-99.4	-167.6	-137.8	0	0	118.3
1131	N	26.4	Very low	26.7	Very low	127 Å²	127	138.1 Å²	138.1	68%	0.679	74%	0.737	S	S	*	*				69.8	147.2	88.4	-78	17.7	0	0	0	114.4
1132	D	28.7	Very low	26.8	Very low	123 Å²	123	140.7 Å²	140.7	66%	0.658	74%	0.738	S	S	*	*			cis	-177.7	155.3	46.7	-115	-26.3	0	0	0	117.4
1133	I	28.9	Very low	27	Very low	127.6 Å²	127.6	142.2 Å²	142.2	65%	0.654	74%	0.737	S	S	*	*			trans	70.3	106.5	139.5	-64.1	160.1	0	0	0	121.1
1134	Y	28.3	Very low	26.9	Very low	212.6 Å²	212.6	142.8 Å²	142.8	83%	0.834	74%	0.736	S	S	*	*				101.9	128.4	125.5	-90	-100.6	0	0	0	118.7
1135	N	25.6	Very low	27.1	Very low	126.6 Å²	126.6	141.7 Å²	141.7	68%	0.677	74%	0.735	S	S	*	*			cis	173.4	146.4	46.8	-127.3	-13.8	0	0	0	113.9
1136	K	29	Very low	26.9	Very low	186.6 Å²	186.6	144.5 Å²	144.5	81%	0.811	74%	0.737	S	S	*	*			trans	148.5	133.1	142.4	-88.8	179.8	-179.5	179	0	115.8
1137	N	24.9	Very low	27	Very low	136.8 Å²	136.8	144.6 Å²	144.6	73%	0.732	73%	0.733	S	S	*	*			trans	-137.9	145.6	162.9	-68	2	0	0	0	113.6
1138	S	27.8	Very low	27	Very low	97.6 Å²	97.6	143.9 Å²	143.9	68%	0.683	73%	0.729	S	S	*	*				133.3	148.9	108.7	55.6	0	0	0	0	112.7
1139	D	27.6	Very low	27.1	Very low	131.2 Å²	131.2	147.5 Å²	147.5	70%	0.702	74%	0.735	S	S	*	*			cis	-177.3	141.5	-2.1	-87.2	-33.4	0	0	0	112.5
1140	Y	25.2	Very low	27	Very low	189.4 Å²	189.4	148.1 Å²	148.1	74%	0.743	73%	0.732	S	S	*	*			trans	63.6	119.7	132	-80.9	-80.5	0	0	0	122.1	N799	N799-Y1140 PolarHBondContact ND2-OH 3.46Å
1141	H	26.4	Very low	27.2	Very low	153.4 Å²	153.4	145.6 Å²	145.6	71%	0.71	73%	0.728	S	S	*	*			trans	53.6	136.5	135.5	-73.7	-76.6	0	0	0	118.2
1142	E	26.7	Very low	27.1	Very low	158.2 Å²	158.2	147.2 Å²	147.2	74%	0.739	73%	0.733	S	S	*	*				157.8	157.4	52.7	-116.7	177.5	-164.7	0	0	114.7
1143	L	27	Very low	27.1	Very low	138 Å²	138	147.7 Å²	147.7	72%	0.723	74%	0.735	S	S	*	*			trans	-164.6	135.9	144.2	-113.5	78.9	0	0	0	116.9
1144	N	26.3	Very low	27	Very low	138 Å²	138	148.6 Å²	148.6	74%	0.738	74%	0.74	S	S	*	*			trans	-86.5	126.3	152.9	-84.9	-38.8	0	0	0	115.2
1145	L	26.7	Very low	26.8	Very low	151.4 Å²	151.4	147.1 Å²	147.1	79%	0.793	74%	0.738	S	S	*	*				101.1	104.6	125.1	-125.5	155.5	0	0	0	115
1146	L	24.9	Very low	26.8	Very low	147.4 Å²	147.4	145.9 Å²	145.9	77%	0.772	74%	0.74	S	S	*	*			trans	-158.3	122	138.9	-158.6	75.1	0	0	0	113.3
1147	H	28.6	Very low	26.6	Very low	147.2 Å²	147.2	145.9 Å²	145.9	68%	0.681	74%	0.74	S	S	*	*			trans	53.1	109.7	157.7	-103.4	-107.7	0	0	0	119.6
1148	N	28.9	Very low	26.6	Very low	132.8 Å²	132.8	146 Å²	146	71%	0.71	74%	0.74	S	S	*	*			trans	54.8	113.7	141.5	-72	-14.4	0	0	0	118.4
1149	L	27.5	Very low	26.5	Very low	159 Å²	159	148.2 Å²	148.2	83%	0.832	74%	0.743	S	S	*	*				159	116.7	126.7	-95.8	165.5	0	0	0	115.1
1150	K	25.2	Very low	26.3	Very low	168.4 Å²	168.4	148.6 Å²	148.6	73%	0.732	75%	0.745	S	S	*	*			trans	61	130.2	163.8	-116.2	-176.8	178.4	-180	0	114.3	Y1220	K1150-Y1220 HydrophobicContact CD-CD1 4.23Å; K1150-Y1220 HydrophobicContact CD-CG 4.3Å; K1150-Y1220 HydrophobicContact CG-CD1 3.79Å; K1150-Y1220 HydrophobicContact CG-CE1 4.03Å; K1150-Y1220 HydrophobicContact CG-CG 4.11Å
1151	P	30.5	Very low	26.3	Very low	105 Å²	105	145.8 Å²	145.8	68%	0.682	75%	0.749	S	S	*	*			trans	-124.1	154	138.1	26.9	-9.4	0	0	0	113.5	Y1220	P1151-Y1220 HydrophobicContact CG-CD2 4.42Å; P1151-Y1220 HydrophobicContact CG-CE2 3.61Å
1152	M	25.3	Very low	26.2	Very low	160.4 Å²	160.4	144.7 Å²	144.7	79%	0.79	75%	0.753	S	S	*	*				164.4	126.5	117.2	-119.9	-172	135.9	0	0	113.4
1153	I	28	Very low	26.3	Very low	134.6 Å²	134.6	142.7 Å²	142.7	69%	0.69	75%	0.753	S	S	*	*			trans	94.5	107.4	155.5	-59.8	170.7	0	0	0	113.7
1154	N	26.2	Very low	26.2	Very low	145 Å²	145	141 Å²	141	78%	0.775	75%	0.753	S	S	*	*			trans	154.7	121.7	141.6	-101.6	-21.3	0	0	0	116.9
1155	K	25.2	Very low	26.1	Very low	182 Å²	182	141.4 Å²	141.4	79%	0.791	76%	0.755	S	S	*	*			trans	75.4	117.1	132.3	-88.2	-176.4	179.8	-177.3	0	116.4
1156	S	25.4	Very low	26.2	Very low	100.6 Å²	100.6	142.2 Å²	142.2	70%	0.703	76%	0.755	S	S	*	*			trans	70.9	129.1	132.4	55.7	0	0	0	0	117.1	L1158	S1156-L1158 PolarHBondContact O-N 3.26Å
1157	F	24.1	Very low	26.3	Very low	187.8 Å²	187.8	142.1 Å²	142.1	82%	0.824	76%	0.755	S	S	*	*			trans	83.8	118.5	133.8	-102.8	-106.3	0	0	0	114.6	L1159	F1157-L1159 HydrophobicContact CD1-CD1 4.23Å; F1157-L1159 HydrophobicContact CE1-CD1 3.79Å
1158	L	24.9	Very low	26.1	Very low	139.4 Å²	139.4	143.5 Å²	143.5	73%	0.73	76%	0.762	S	S	*	*				116.3	133.7	95.6	-123.2	151.9	0	0	0	113.1	S1156	S1156-L1158 PolarHBondContact O-N 3.26Å
1159	L	25.8	Very low	26.1	Very low	143.6 Å²	143.6	142.6 Å²	142.6	75%	0.752	76%	0.763	S	S	*	*			trans	175.9	121.4	161	-81.3	144.2	0	0	0	113	F1157 T1161	F1157-L1159 HydrophobicContact CD1-CD1 4.23Å; F1157-L1159 HydrophobicContact CE1-CD1 3.79Å; L1159-T1161 VanDerWaalsContact C-N 3.26Å; L1159-T1161 HydrophobicContact CD2-CG2 4.46Å; L1159-T1161 PolarHBondContact O-N 2.99Å; L1159-T1161 VanDerWaalsContact O-N 3.15Å
1160	N	22.6	Very low	25.9	Very low	138.6 Å²	138.6	139.7 Å²	139.7	74%	0.741	76%	0.755	S	S	*	*				-101.9	138.8	113.4	-91.1	-24.5	0	0	0	110.2
1161	T	26.6	Very low	25.9	Very low	132 Å²	132	142.7 Å²	142.7	81%	0.81	76%	0.762	S	S	*	*				-159.2	116.4	126.1	43.5	0	0	0	0	110.8	L1159 P1163	L1159-T1161 VanDerWaalsContact C-N 3.26Å; L1159-T1161 HydrophobicContact CD2-CG2 4.46Å; L1159-T1161 PolarHBondContact O-N 2.99Å; L1159-T1161 VanDerWaalsContact O-N 3.15Å; T1161-P1163 VanDerWaalsContact O-CD 3.24Å; T1161-P1163 WeakPolarHBondContact O-CD 3.41Å
1162	T	24.8	Very low	25.6	Very low	129.6 Å²	129.6	144.4 Å²	144.4	80%	0.795	76%	0.764	S	S	*	*			trans	-94.1	155.4	164.6	52.1	0	0	0	0	109.6
1163	P	28.7	Very low	25.5	Very low	115.4 Å²	115.4	142.4 Å²	142.4	75%	0.749	76%	0.761	S	S	*	*				-130.1	153.7	101	28.6	-10.6	0	0	0	113.3	T1161 N1165	T1161-P1163 VanDerWaalsContact O-CD 3.24Å; T1161-P1163 WeakPolarHBondContact O-CD 3.41Å; P1163-N1165 PolarHBondContact O-N 3.45Å
1164	S	24.2	Very low	25.3	Very low	102 Å²	102	144 Å²	144	71%	0.713	77%	0.771	S	S	*	*				67.3	116.3	125.9	65	0	0	0	0	116.8
1165	N	25.2	Very low	25.1	Very low	146.8 Å²	146.8	145.9 Å²	145.9	79%	0.785	77%	0.772	S	S	*	*				104.1	126.3	126.9	-124	26.9	0	0	0	116.8	P1163	P1163-N1165 PolarHBondContact O-N 3.45Å
1166	E	26.9	Very low	25.1	Very low	168.8 Å²	168.8	145.5 Å²	145.5	79%	0.789	77%	0.773	S	S	*	*			trans	169.9	130.3	144.2	-92.4	179.8	-170.9	0	0	116.1
1167	N	27.1	Very low	25	Very low	145.4 Å²	145.4	145.8 Å²	145.8	78%	0.778	78%	0.775	S	S	*	*			trans	32.8	123.5	158.5	-63.9	-38.9	0	0	0	118.6
1168	Q	25.4	Very low	25	Very low	176.2 Å²	176.2	145.8 Å²	145.8	82%	0.823	78%	0.775	S	S	*	*			trans	-56.8	162	157.8	-77.3	-173.8	-8.2	0	0	114.8
1169	P	28.5	Very low	24.9	Very low	114 Å²	114	146.7 Å²	146.7	74%	0.74	78%	0.775	S	S	*	*			trans	-110.6	152.2	148.4	28.5	-21.5	0	0	0	114.7
1170	C	24.5	Very low	24.8	Very low	98.6 Å²	98.6	147.2 Å²	147.2	67%	0.666	77%	0.773	S	S	*	*			trans	-108.3	128.7	171.6	-103.4	0	0	0	0	114.2
1171	W	25	Very low	24.9	Very low	230 Å²	230	148.5 Å²	148.5	87%	0.871	78%	0.775	S	S	*	*			trans	-118.7	126.9	149.6	-72.4	74.3	0	0	0	110.2	R1014 T1173	R1014-W1171 PolarHBondContact NH1-O 3.07Å; W1171-T1173 PolarHBondContact O-N 2.87Å
1172	L	23.8	Very low	24.7	Very low	140.6 Å²	140.6	147.2 Å²	147.2	74%	0.736	77%	0.771	S	S	*	*			trans	-129.4	140.1	178.5	-119.2	139.6	0	0	0	110.4	L1174	L1172-L1174 HydrophobicContact CD2-CB 4.4Å; L1172-L1174 HydrophobicContact CD2-CD1 4.03Å; L1172-L1174 HydrophobicContact CD2-CG 3.79Å
1173	T	23.4	Very low	24.5	Very low	118.6 Å²	118.6	145.6 Å²	145.6	73%	0.728	77%	0.765	S	S	*	*			trans	-124.6	132	171.2	36.3	0	0	0	0	111.3	W1171 K1175	W1171-T1173 PolarHBondContact O-N 2.87Å; T1173-K1175 PolarHBondContact O-N 3.18Å
1174	L	22.9	Very low	24.3	Very low	168.4 Å²	168.4	147.6 Å²	147.6	88%	0.882	77%	0.769	S	S	*	*			trans	-97.5	113.4	162.2	-93.5	160.3	0	0	0	111.6	L1172 Q1176	L1172-L1174 HydrophobicContact CD2-CB 4.4Å; L1172-L1174 HydrophobicContact CD2-CD1 4.03Å; L1172-L1174 HydrophobicContact CD2-CG 3.79Å; L1174-Q1176 PolarHBondContact O-N 3.02Å; L1174-Q1176 VanDerWaalsContact O-N 3.12Å
1175	K	23.3	Very low	24.2	Very low	184.6 Å²	184.6	147.3 Å²	147.3	80%	0.803	77%	0.766	S	S	*	*			trans	-132.9	124.8	162.1	-152.6	179.7	-179.4	-178.8	0	110.3	T1173 S1177	T1173-K1175 PolarHBondContact O-N 3.18Å; K1175-S1177 PolarHBondContact O-N 3.32Å
1176	Q	23.9	Very low	24.2	Very low	174.8 Å²	174.8	145.3 Å²	145.3	82%	0.817	76%	0.764	S	S	*	*			trans	-39	119.2	172.8	-82	173.2	-8.6	0	0	113.8	L1174 K1178	L1174-Q1176 PolarHBondContact O-N 3.02Å; L1174-Q1176 VanDerWaalsContact O-N 3.12Å; Q1176-K1178 PolarHBondContact O-N 2.87Å
1177	S	23.8	Very low	24.1	Very low	106.8 Å²	106.8	142 Å²	142	75%	0.747	76%	0.76	S	S	*	*			trans	-116.9	143.7	140.6	64.7	0	0	0	0	114.1	K1175 H1179	K1175-S1177 PolarHBondContact O-N 3.32Å; S1177-H1179 PolarHBondContact O-N 3.13Å
1178	K	23.2	Very low	23.9	Very low	188.4 Å²	188.4	140 Å²	140	82%	0.819	76%	0.757	S	S	*	*			trans	-101.2	128.5	174.4	-80	-175.5	175.8	-178.1	0	111.8	Q1176	Q1176-K1178 PolarHBondContact O-N 2.87Å
1179	H	24.1	Very low	23.9	Very low	157.4 Å²	157.4	136 Å²	136	73%	0.729	75%	0.748	S	S	*	*			trans	104.8	149	153	-77.2	-82	0	0	0	114.7	S1177 K1217	S1177-H1179 PolarHBondContact O-N 3.13Å; H1179-K1217 PolarHBondContact O-NZ 2.93Å
1180	H	23.9	Very low	23.7	Very low	153.4 Å²	153.4	137.1 Å²	137.1	71%	0.71	75%	0.748	S	S	*	*			trans	-82.4	155.1	138.9	-83.9	-75.9	0	0	0	114.2
1181	Q	22.8	Very low	23.8	Very low	166.4 Å²	166.4	140.3 Å²	140.3	78%	0.778	75%	0.753	S	S	*	*				147.6	140.1	120.6	-102.8	160.1	-19.8	0	0	111.9
1182	S	22.5	Very low	23.7	Very low	105.8 Å²	105.8	133.5 Å²	133.5	74%	0.74	74%	0.74	S	S	*	*				53.3	149.5	100.4	65.4	0	0	0	0	113.7
1183	S	22.5	Very low	23.6	Very low	94.6 Å²	94.6	136.2 Å²	136.2	66%	0.662	75%	0.746	S	S	*	*			cis	-175.5	156.3	2.7	45.4	0	0	0	0	108.2
1184	L	23.2	Very low	23.7	Very low	158.8 Å²	158.8	135.1 Å²	135.1	83%	0.831	74%	0.744	S	S	*	*			trans	106.1	145.2	144.3	-96.7	107.3	0	0	0	113.1
1185	S	22.9	Very low	23.7	Very low	94.8 Å²	94.8	132.1 Å²	132.1	66%	0.663	74%	0.737	S	S	*	*				-170.8	156.7	65.5	54.2	0	0	0	0	114.5
1186	S	24.2	Very low	23.9	Very low	105.4 Å²	105.4	129.9 Å²	129.9	74%	0.737	74%	0.739	S	S	*	*				104.3	151.6	113.3	57.8	0	0	0	0	114.6
1187	S	24.3	Very low	24.1	Very low	99.8 Å²	99.8	127 Å²	127	70%	0.698	74%	0.735	S	S	*	*			cis	176	157.6	20.1	48.7	0	0	0	0	112.8
1188	S	24	Very low	24.1	Very low	102.2 Å²	102.2	128.8 Å²	128.8	72%	0.715	74%	0.736	S	S	*	*			trans	66.3	138.8	135.2	57.9	0	0	0	0	118.8
1189	S	25.5	Very low	24.3	Very low	92.4 Å²	92.4	125.4 Å²	125.4	65%	0.646	73%	0.731	S	S	*	*			cis	146.3	135	47.3	53.5	0	0	0	0	116.6
1190	N	23.3	Very low	24.4	Very low	137 Å²	137	124.5 Å²	124.5	73%	0.733	74%	0.737	S	S	*	*			trans	72	145.6	135.9	-56.4	-8.1	0	0	0	120.8
1191	H	26.7	Very low	24.7	Very low	165.4 Å²	165.4	123 Å²	123	77%	0.766	74%	0.739	S	S	*	*				116.8	116.1	122.3	-75.1	-69.4	0	0	0	116.4
1192	S	22.4	Very low	24.9	Very low	87.2 Å²	87.2	124.3 Å²	124.3	61%	0.61	74%	0.741	S	S	*	*				56.2	142	90.6	68.9	0	0	0	0	116.3
1193	F	23.7	Very low	25.2	Very low	197.2 Å²	197.2	127.6 Å²	127.6	87%	0.865	74%	0.743	S	S	*	*			trans	128	136.8	153.7	-87.3	-86.4	0	0	0	114.3
1194	S	23.6	Very low	25.5	Very low	95.6 Å²	95.6	131.2 Å²	131.2	67%	0.669	74%	0.743	S	S	*	*			cis	166.6	141.6	41.4	61.1	0	0	0	0	114.2
1195	S	24.8	Very low	25.8	Very low	105.4 Å²	105.4	129.9 Å²	129.9	74%	0.737	74%	0.737	S	S	*	*			trans	101.3	121.7	149.3	59.2	0	0	0	0	116.2
1196	T	26.9	Very low	26.3	Very low	138.2 Å²	138.2	131.8 Å²	131.8	85%	0.848	74%	0.738	S	S	*	*			trans	-116.5	145.6	139.1	42.8	0	0	0	0	111.9
1197	P	28.2	Very low	26.6	Very low	113.8 Å²	113.8	131.5 Å²	131.5	74%	0.739	73%	0.728	S	S	*	*			trans	-129	163.7	167	34.3	-18.2	0	0	0	113.9
1198	L	24.3	Very low	26.9	Very low	145 Å²	145	132.6 Å²	132.6	76%	0.759	72%	0.723	S	S	*	*				92.3	137.9	122.4	-144.8	69.8	0	0	0	116.6
1199	T	25.7	Very low	27.3	Very low	118.2 Å²	118.2	131.6 Å²	131.6	73%	0.725	71%	0.71	S	S	*	*			trans	83.8	83.8	149.7	58.1	0	0	0	0	118.9
1200	T	27.7	Very low	27.5	Very low	137 Å²	137	130.5 Å²	130.5	84%	0.84	70%	0.702	S	S	*	*			trans	-154	17.4	130.5	24.4	0	0	0	0	114.2	K1202	T1200-K1202 PolarHBondContact O-N 3.09Å
1201	V	29.5	Very low	27.8	Very low	123.6 Å²	123.6	130 Å²	130	75%	0.749	69%	0.693	S	S	*	*			trans	-91.2	27.5	-175.8	-173.6	0	0	0	0	112.9	K1203 Y1204	V1201-K1203 VanDerWaalsContact C-N 3.26Å; V1201-K1203 PolarHBondContact O-N 2.85Å; V1201-K1203 VanDerWaalsContact O-N 3.09Å; V1201-Y1204 PolarHBondContact O-N 2.92Å
1202	K	27.2	Very low	27.9	Very low	192.2 Å²	192.2	129.8 Å²	129.8	84%	0.836	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113	7.8	176.2	-96.7	-178.4	179.6	-179	0	116.6	T1200 L1206	T1200-K1202 PolarHBondContact O-N 3.09Å; K1202-L1206 PolarHBondContact O-N 3.1Å
1203	K	27.9	Very low	28.3	Very low	176.4 Å²	176.4	134 Å²	134	77%	0.767	69%	0.692	S	S	*	*	S	Bend	trans	-112.4	-11.3	-179.2	-137	175.7	-176.1	-179.8	0	116.6	V1201 I1207	V1201-K1203 VanDerWaalsContact C-N 3.26Å; V1201-K1203 PolarHBondContact O-N 2.85Å; V1201-K1203 VanDerWaalsContact O-N 3.09Å; K1203-I1207 VanDerWaalsContact O-CG1 3.32Å; K1203-I1207 WeakPolarHBondContact O-CG1 3.49Å; K1203-I1207 PolarHBondContact O-N 3.49Å; K1203-I1207 VanDerWaalsContact O-N 3.11Å
1204	Y	28.3	Very low	28.6	Very low	170 Å²	170	130.2 Å²	130.2	67%	0.667	68%	0.681	S	S	*	*	S	Bend	trans	-100.4	-21.8	179.5	-83.1	-78.4	0	0	0	115.1	V1201 L1206 I1207 M1208	V1201-Y1204 PolarHBondContact O-N 2.92Å; Y1204-L1206 VanDerWaalsContact C-N 3.32Å; Y1204-L1206 PolarHBondContact O-N 3.01Å; Y1204-I1207 HydrophobicContact CE1-CD1 4.46Å; Y1204-I1207 PolarHBondContact O-N 3.12Å; Y1204-M1208 PolarHBondContact O-N 2.87Å; Y1204-M1208 VanDerWaalsContact O-N 3.1Å
1205	N	31.3	Very low	28.9	Very low	131.6 Å²	131.6	131.7 Å²	131.7	70%	0.704	68%	0.681	S	S	*	*	H	α-helix	trans	-77.3	-9.7	178.8	-74.5	2.8	0	0	0	114	I1207 M1208 D1209	N1205-I1207 VanDerWaalsContact C-N 3.29Å; N1205-I1207 PolarHBondContact O-N 3.14Å; N1205-M1208 PolarHBondContact O-N 3.13Å; N1205-D1209 WeakPolarHBondContact O-CB 3.37Å; N1205-D1209 PolarHBondContact O-N 3.13Å
1206	L	31.9	Very low	29.1	Very low	133.2 Å²	133.2	133.9 Å²	133.9	70%	0.697	68%	0.679	S	S	*	*	H	α-helix	trans	-88.5	-23.8	177.2	-147.2	104.2	0	0	0	113.2	K1202 Y1204 C1210	K1202-L1206 PolarHBondContact O-N 3.1Å; Y1204-L1206 VanDerWaalsContact C-N 3.32Å; Y1204-L1206 PolarHBondContact O-N 3.01Å; L1206-C1210 WeakPolarHBondContact O-CB 3.45Å; L1206-C1210 PolarHBondContact O-N 3.07Å; L1206-C1210 PolarHBondContact O-SG 3.1Å; L1206-C1210 VanDerWaalsContact O-SG 3.41Å
1207	I	32.1	Very low	29.1	Very low	99.6 Å²	99.6	135.5 Å²	135.5	51%	0.511	67%	0.674	S	S	.	*	H	α-helix	trans	-82.3	-43.4	-178.9	-64.9	172.2	0	0	0	110.8	K1203 Y1204 N1205 D1209 C1210 F1211	K1203-I1207 VanDerWaalsContact O-CG1 3.32Å; K1203-I1207 WeakPolarHBondContact O-CG1 3.49Å; K1203-I1207 PolarHBondContact O-N 3.49Å; K1203-I1207 VanDerWaalsContact O-N 3.11Å; Y1204-I1207 HydrophobicContact CE1-CD1 4.46Å; Y1204-I1207 PolarHBondContact O-N 3.12Å; N1205-I1207 VanDerWaalsContact C-N 3.29Å; N1205-I1207 PolarHBondContact O-N 3.14Å; I1207-D1209 VanDerWaalsContact C-N 3.32Å; I1207-D1209 PolarHBondContact O-N 3.17Å; I1207-C1210 WeakPolarHBondContact O-CB 3.33Å; I1207-C1210 PolarHBondContact O-N 3.11Å; I1207-F1211 PolarHBondContact O-N 3.03Å; I1207-F1211 VanDerWaalsContact O-N 3.14Å
1208	M	30.5	Very low	29.1	Very low	124.2 Å²	124.2	136.2 Å²	136.2	61%	0.612	68%	0.677	S	S	*	*	H	α-helix	trans	-66.1	-34	176.5	-100.3	-65.1	178	0	0	113.1	F1107 Y1204 N1205 C1210 F1211 K1212	F1107-M1208 HydrophobicContact CE2-CE 4.17Å; Y1204-M1208 PolarHBondContact O-N 2.87Å; Y1204-M1208 VanDerWaalsContact O-N 3.1Å; N1205-M1208 PolarHBondContact O-N 3.13Å; M1208-C1210 VanDerWaalsContact C-N 3.32Å; M1208-C1210 PolarHBondContact O-N 3.06Å; M1208-F1211 CarbonylContact O-C 3.59Å; M1208-F1211 WeakPolarHBondContact O-CB 3.48Å; M1208-F1211 PolarHBondContact O-N 3.26Å; M1208-F1211 VanDerWaalsContact O-N 3.16Å; M1208-F1211 HydrophobicContact SD-CB 4.4Å; M1208-K1212 VanDerWaalsContact O-CB 3.25Å; M1208-K1212 WeakPolarHBondContact O-CB 3.41Å; M1208-K1212 PolarHBondContact O-N 3.1Å; M1208-K1212 VanDerWaalsContact O-N 3.12Å
1209	D	31	Very low	29.1	Very low	80.4 Å²	80.4	133.4 Å²	133.4	43%	0.43	67%	0.669	S	S	.	*	H	α-helix	trans	-74.6	-25.1	176.7	-109.5	27.6	0	0	0	113.1	N1205 I1207 F1211 R1213	N1205-D1209 WeakPolarHBondContact O-CB 3.37Å; N1205-D1209 PolarHBondContact O-N 3.13Å; I1207-D1209 VanDerWaalsContact C-N 3.32Å; I1207-D1209 PolarHBondContact O-N 3.17Å; D1209-F1211 VanDerWaalsContact C-N 3.33Å; D1209-R1213 VanDerWaalsContact O-CB 3.3Å; D1209-R1213 WeakPolarHBondContact O-CB 3.45Å; D1209-R1213 VanDerWaalsContact O-CD 3.29Å; D1209-R1213 WeakPolarHBondContact O-CD 3.43Å; D1209-R1213 VanDerWaalsContact O-CG 3.27Å; D1209-R1213 WeakPolarHBondContact O-CG 3.34Å; D1209-R1213 PolarHBondContact O-N 3.05Å; D1209-R1213 VanDerWaalsContact O-N 3.17Å; D1209-R1213 PolarHBondContact O-NE 3.13Å; D1209-R1213 IonicContact OD2-CZ 3.1Å; D1209-R1213 VanDerWaalsContact OD2-CZ 3.22Å; D1209-R1213 IonicContact OD2-NE 3.24Å; D1209-R1213 PolarHBondContact OD2-NE 2.9Å; D1209-R1213 IonicContact OD2-NH2 2.92Å; D1209-R1213 PolarHBondContact OD2-NH2 3.02Å
1210	C	30.3	Very low	29.3	Very low	70.2 Å²	70.2	136.2 Å²	136.2	47%	0.474	67%	0.668	S	S	.	*	H	α-helix	trans	-72.9	-40.5	168.5	-89.1	0	0	0	0	111.5	L1206 I1207 M1208 K1212 R1213 N1214	L1206-C1210 WeakPolarHBondContact O-CB 3.45Å; L1206-C1210 PolarHBondContact O-N 3.07Å; L1206-C1210 PolarHBondContact O-SG 3.1Å; L1206-C1210 VanDerWaalsContact O-SG 3.41Å; I1207-C1210 WeakPolarHBondContact O-CB 3.33Å; I1207-C1210 PolarHBondContact O-N 3.11Å; M1208-C1210 VanDerWaalsContact C-N 3.32Å; M1208-C1210 PolarHBondContact O-N 3.06Å; C1210-K1212 VanDerWaalsContact C-N 3.29Å; C1210-K1212 PolarHBondContact O-N 3.29Å; C1210-R1213 PolarHBondContact O-N 3.17Å; C1210-N1214 VanDerWaalsContact O-CB 3.3Å; C1210-N1214 WeakPolarHBondContact O-CB 3.41Å; C1210-N1214 PolarHBondContact O-N 2.97Å; C1210-N1214 VanDerWaalsContact O-N 3.11Å; C1210-N1214 PolarHBondContact O-ND2 2.94Å
1211	F	29.6	Very low	29.2	Very low	126.4 Å²	126.4	135.4 Å²	135.4	55%	0.554	66%	0.663	S	S	*	*	H	α-helix	trans	-63.9	-39.4	174.9	-114.5	-89.3	0	0	0	112.4	I1207 M1208 D1209 R1213 N1214 L1215	I1207-F1211 PolarHBondContact O-N 3.03Å; I1207-F1211 VanDerWaalsContact O-N 3.14Å; M1208-F1211 CarbonylContact O-C 3.59Å; M1208-F1211 WeakPolarHBondContact O-CB 3.48Å; M1208-F1211 PolarHBondContact O-N 3.26Å; M1208-F1211 VanDerWaalsContact O-N 3.16Å; M1208-F1211 HydrophobicContact SD-CB 4.4Å; D1209-F1211 VanDerWaalsContact C-N 3.33Å; F1211-R1213 VanDerWaalsContact C-N 3.31Å; F1211-R1213 PolarHBondContact O-N 3.21Å; F1211-R1213 VanDerWaalsContact O-N 3.16Å; F1211-N1214 PolarHBondContact O-N 3.08Å; F1211-N1214 VanDerWaalsContact O-N 3.12Å; F1211-L1215 HydrophobicContact CD1-CD1 4.12Å; F1211-L1215 HydrophobicContact CD1-CG 4.49Å; F1211-L1215 WeakPolarHBondContact O-CB 3.07Å; F1211-L1215 WeakPolarHBondContact O-CG 3.48Å; F1211-L1215 PolarHBondContact O-N 3.08Å
1212	K	29.6	Very low	29	Very low	159.4 Å²	159.4	134.3 Å²	134.3	69%	0.693	66%	0.661	S	S	*	*	H	α-helix	trans	-70.7	-21.7	178.8	-145	171.5	-173.8	175.9	0	113.7	M1208 C1210 N1214 H1216	M1208-K1212 VanDerWaalsContact O-CB 3.25Å; M1208-K1212 WeakPolarHBondContact O-CB 3.41Å; M1208-K1212 PolarHBondContact O-N 3.1Å; M1208-K1212 VanDerWaalsContact O-N 3.12Å; C1210-K1212 VanDerWaalsContact C-N 3.29Å; C1210-K1212 PolarHBondContact O-N 3.29Å; K1212-N1214 VanDerWaalsContact C-N 3.35Å; K1212-N1214 PolarHBondContact O-N 3.42Å; K1212-H1216 PolarHBondContact O-N 2.71Å
1213	R	30.1	Very low	28.9	Very low	175.4 Å²	175.4	132.8 Å²	132.8	66%	0.662	66%	0.661	S	S	*	*	H	α-helix	trans	-88.7	-24.9	176.8	-79.4	175.8	-143.2	-174.9	-2.7	113.9	D1209 C1210 F1211 L1215 H1216 K1217	D1209-R1213 VanDerWaalsContact O-CB 3.3Å; D1209-R1213 WeakPolarHBondContact O-CB 3.45Å; D1209-R1213 VanDerWaalsContact O-CD 3.29Å; D1209-R1213 WeakPolarHBondContact O-CD 3.43Å; D1209-R1213 VanDerWaalsContact O-CG 3.27Å; D1209-R1213 WeakPolarHBondContact O-CG 3.34Å; D1209-R1213 PolarHBondContact O-N 3.05Å; D1209-R1213 VanDerWaalsContact O-N 3.17Å; D1209-R1213 PolarHBondContact O-NE 3.13Å; D1209-R1213 IonicContact OD2-CZ 3.1Å; D1209-R1213 VanDerWaalsContact OD2-CZ 3.22Å; D1209-R1213 IonicContact OD2-NE 3.24Å; D1209-R1213 PolarHBondContact OD2-NE 2.9Å; D1209-R1213 IonicContact OD2-NH2 2.92Å; D1209-R1213 PolarHBondContact OD2-NH2 3.02Å; C1210-R1213 PolarHBondContact O-N 3.17Å; F1211-R1213 VanDerWaalsContact C-N 3.31Å; F1211-R1213 PolarHBondContact O-N 3.21Å; F1211-R1213 VanDerWaalsContact O-N 3.16Å; R1213-L1215 VanDerWaalsContact C-N 3.35Å; R1213-L1215 PolarHBondContact O-N 2.89Å; R1213-H1216 WeakPolarHBondContact O-CB 3.38Å; R1213-K1217 PolarHBondContact O-N 3.11Å
1214	N	31	Very low	28.8	Very low	117.4 Å²	117.4	129.5 Å²	129.5	63%	0.628	66%	0.66	S	S	*	*	H	α-helix	trans	-87.2	-18.3	-179	-75.8	-15.4	0	0	0	114.1	C1210 F1211 K1212 H1216 K1217 V1218	C1210-N1214 VanDerWaalsContact O-CB 3.3Å; C1210-N1214 WeakPolarHBondContact O-CB 3.41Å; C1210-N1214 PolarHBondContact O-N 2.97Å; C1210-N1214 VanDerWaalsContact O-N 3.11Å; C1210-N1214 PolarHBondContact O-ND2 2.94Å; F1211-N1214 PolarHBondContact O-N 3.08Å; F1211-N1214 VanDerWaalsContact O-N 3.12Å; K1212-N1214 VanDerWaalsContact C-N 3.35Å; K1212-N1214 PolarHBondContact O-N 3.42Å; N1214-H1216 VanDerWaalsContact C-N 3.29Å; N1214-H1216 PolarHBondContact O-N 3.18Å; N1214-K1217 PolarHBondContact O-N 3.4Å; N1214-K1217 VanDerWaalsContact O-N 3.14Å; N1214-V1218 WeakPolarHBondContact O-CG2 3.34Å; N1214-V1218 PolarHBondContact O-N 2.94Å
1215	L	30	Very low	28.6	Very low	127.4 Å²	127.4	128.6 Å²	128.6	67%	0.667	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-76.4	-7	175.4	-86	163.6	0	0	0	113.9	E1020 F1211 R1213 K1217 V1218 S1219	E1020-L1215 WeakPolarHBondContact OE2-CD1 3.37Å; F1211-L1215 HydrophobicContact CD1-CD1 4.12Å; F1211-L1215 HydrophobicContact CD1-CG 4.49Å; F1211-L1215 WeakPolarHBondContact O-CB 3.07Å; F1211-L1215 WeakPolarHBondContact O-CG 3.48Å; F1211-L1215 PolarHBondContact O-N 3.08Å; R1213-L1215 VanDerWaalsContact C-N 3.35Å; R1213-L1215 PolarHBondContact O-N 2.89Å; L1215-K1217 VanDerWaalsContact C-N 3.29Å; L1215-K1217 PolarHBondContact O-N 3.49Å; L1215-V1218 PolarHBondContact O-N 3.38Å; L1215-S1219 PolarHBondContact O-N 2.86Å; L1215-S1219 PolarHBondContact O-OG 2.88Å
1216	H	28.6	Very low	28.4	Very low	151.6 Å²	151.6	130.1 Å²	130.1	70%	0.702	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-101.6	14.4	-176.7	-131.8	-81.7	0	0	0	114.4	K1212 R1213 N1214 V1218 S1219 Y1220	K1212-H1216 PolarHBondContact O-N 2.71Å; R1213-H1216 WeakPolarHBondContact O-CB 3.38Å; N1214-H1216 VanDerWaalsContact C-N 3.29Å; N1214-H1216 PolarHBondContact O-N 3.18Å; H1216-V1218 PolarHBondContact O-N 3Å; H1216-S1219 PolarHBondContact O-N 3.26Å; H1216-S1219 VanDerWaalsContact O-N 3.08Å; H1216-S1219 PolarHBondContact O-OG 3.48Å; H1216-Y1220 AromaticContact CE1-CE2 3.46Å; H1216-Y1220 VanDerWaalsContact CE1-CE2 3.46Å; H1216-Y1220 WeakPolarHBondContact CE1-CE2 3.4Å; H1216-Y1220 AromaticContact CG-CE2 4Å; H1216-Y1220 AromaticContact ND1-CD2 3.77Å; H1216-Y1220 AromaticContact ND1-CE2 3.46Å; H1216-Y1220 WeakPolarHBondContact ND1-CE2 3.35Å; H1216-Y1220 AromaticContact NE2-CE2 3.98Å; H1216-Y1220 VanDerWaalsContact O-CD2 3.26Å; H1216-Y1220 WeakPolarHBondContact O-CD2 3.24Å; H1216-Y1220 PolarHBondContact O-N 2.88Å; H1216-Y1220 VanDerWaalsContact O-N 3.14Å
1217	K	26.5	Very low	28.1	Very low	172 Å²	172	130.2 Å²	130.2	75%	0.748	67%	0.67	S	S	*	*			trans	-127.1	22.9	177	-85.5	-177.2	176.3	-176.7	0	115.4	H1179 R1213 N1214 L1215 T1221	H1179-K1217 PolarHBondContact O-NZ 2.93Å; R1213-K1217 PolarHBondContact O-N 3.11Å; N1214-K1217 PolarHBondContact O-N 3.4Å; N1214-K1217 VanDerWaalsContact O-N 3.14Å; L1215-K1217 VanDerWaalsContact C-N 3.29Å; L1215-K1217 PolarHBondContact O-N 3.49Å; K1217-T1221 VanDerWaalsContact O-CG2 3.27Å; K1217-T1221 WeakPolarHBondContact O-CG2 3.49Å; K1217-T1221 PolarHBondContact O-OG1 3.26Å
1218	V	26.9	Very low	27.8	Very low	129.2 Å²	129.2	130.7 Å²	130.7	78%	0.783	68%	0.677	S	S	*	*			trans	-114.4	66.6	166	-175.6	0	0	0	0	110.2	N1214 L1215 H1216 T1221	N1214-V1218 WeakPolarHBondContact O-CG2 3.34Å; N1214-V1218 PolarHBondContact O-N 2.94Å; L1215-V1218 PolarHBondContact O-N 3.38Å; H1216-V1218 PolarHBondContact O-N 3Å; V1218-T1221 PolarHBondContact O-OG1 3.39Å
1219	S	26	Very low	27.7	Very low	87 Å²	87	131.3 Å²	131.3	61%	0.608	68%	0.683	S	S	*	*			trans	-131.8	117.8	163.8	54.9	0	0	0	0	111.4	L1215 H1216 T1221	L1215-S1219 PolarHBondContact O-N 2.86Å; L1215-S1219 PolarHBondContact O-OG 2.88Å; H1216-S1219 PolarHBondContact O-N 3.26Å; H1216-S1219 VanDerWaalsContact O-N 3.08Å; H1216-S1219 PolarHBondContact O-OG 3.48Å; S1219-T1221 PolarHBondContact O-N 3.46Å
1220	Y	28.5	Very low	27.5	Very low	175.6 Å²	175.6	134.5 Å²	134.5	69%	0.689	70%	0.699	S	S	*	*			trans	-52.4	98.5	170.9	-64.7	-75.8	0	0	0	114	R738 K1150 P1151 H1216 S1222	R738-Y1220 PolarHBondContact NH1-OH 3.33Å; K1150-Y1220 HydrophobicContact CD-CD1 4.23Å; K1150-Y1220 HydrophobicContact CD-CG 4.3Å; K1150-Y1220 HydrophobicContact CG-CD1 3.79Å; K1150-Y1220 HydrophobicContact CG-CE1 4.03Å; K1150-Y1220 HydrophobicContact CG-CG 4.11Å; P1151-Y1220 HydrophobicContact CG-CD2 4.42Å; P1151-Y1220 HydrophobicContact CG-CE2 3.61Å; H1216-Y1220 AromaticContact CE1-CE2 3.46Å; H1216-Y1220 VanDerWaalsContact CE1-CE2 3.46Å; H1216-Y1220 WeakPolarHBondContact CE1-CE2 3.4Å; H1216-Y1220 AromaticContact CG-CE2 4Å; H1216-Y1220 AromaticContact ND1-CD2 3.77Å; H1216-Y1220 AromaticContact ND1-CE2 3.46Å; H1216-Y1220 WeakPolarHBondContact ND1-CE2 3.35Å; H1216-Y1220 AromaticContact NE2-CE2 3.98Å; H1216-Y1220 VanDerWaalsContact O-CD2 3.26Å; H1216-Y1220 WeakPolarHBondContact O-CD2 3.24Å; H1216-Y1220 PolarHBondContact O-N 2.88Å; H1216-Y1220 VanDerWaalsContact O-N 3.14Å; Y1220-S1222 PolarHBondContact O-N 3.24Å; Y1220-S1222 VanDerWaalsContact O-N 3.16Å
1221	T	25.6	Very low	27.3	Very low	120.4 Å²	120.4	138.6 Å²	138.6	74%	0.739	72%	0.716	S	S	*	*			trans	-81.3	114.2	152.5	44.5	0	0	0	0	113.9	K1217 V1218 S1219 L1223	K1217-T1221 VanDerWaalsContact O-CG2 3.27Å; K1217-T1221 WeakPolarHBondContact O-CG2 3.49Å; K1217-T1221 PolarHBondContact O-OG1 3.26Å; V1218-T1221 PolarHBondContact O-OG1 3.39Å; S1219-T1221 PolarHBondContact O-N 3.46Å; T1221-L1223 PolarHBondContact O-N 3.43Å
1222	S	26	Very low	27.2	Very low	100.6 Å²	100.6	138.3 Å²	138.3	70%	0.703	72%	0.724	S	S	*	*			trans	16.3	121.9	165.5	60.9	0	0	0	0	115.7	Y1220 S1224	Y1220-S1222 PolarHBondContact O-N 3.24Å; Y1220-S1222 VanDerWaalsContact O-N 3.16Å; S1222-S1224 PolarHBondContact O-N 3.19Å; S1222-S1224 VanDerWaalsContact O-N 3.12Å
1223	L	24.9	Very low	27.1	Very low	160.8 Å²	160.8	136.8 Å²	136.8	84%	0.842	73%	0.729	S	S	*	*			trans	-60.6	92.9	158.6	-140.3	76.9	0	0	0	112.7	T1221 L1225	T1221-L1223 PolarHBondContact O-N 3.43Å; L1223-L1225 PolarHBondContact O-N 3.42Å
1224	S	25.2	Very low	27	Very low	106.4 Å²	106.4	136.2 Å²	136.2	74%	0.744	74%	0.737	S	S	*	*			trans	-111.7	86.3	161.9	112.7	0	0	0	0	111.5	S1222 H1226	S1222-S1224 PolarHBondContact O-N 3.19Å; S1222-S1224 VanDerWaalsContact O-N 3.12Å; S1224-H1226 PolarHBondContact O-N 2.97Å; S1224-H1226 VanDerWaalsContact O-N 3.12Å
1225	L	25.9	Very low	26.8	Very low	151.6 Å²	151.6	135.1 Å²	135.1	79%	0.794	74%	0.739	S	S	*	*			trans	-101.5	112.1	168.9	-138.9	103.4	0	0	0	109.9	L1223 N1227	L1223-L1225 PolarHBondContact O-N 3.42Å; L1225-N1227 PolarHBondContact O-N 3.1Å
1226	H	26	Very low	26.7	Very low	163.2 Å²	163.2	135.6 Å²	135.6	76%	0.756	74%	0.742	S	S	*	*			trans	-94.1	105.8	174.6	-120.8	-87.7	0	0	0	113	S1224 T1228	S1224-H1226 PolarHBondContact O-N 2.97Å; S1224-H1226 VanDerWaalsContact O-N 3.12Å; H1226-T1228 VanDerWaalsContact CE1-CG2 3.41Å; H1226-T1228 WeakPolarHBondContact CE1-CG2 3.49Å; H1226-T1228 WeakPolarHBondContact ND1-CG2 3.43Å; H1226-T1228 PolarHBondContact ND1-OG1 3.26Å; H1226-T1228 VanDerWaalsContact ND1-OG1 3.16Å; H1226-T1228 PolarHBondContact O-N 3.26Å
1227	N	26.6	Very low	26.6	Very low	136.4 Å²	136.4	136.6 Å²	136.6	73%	0.729	75%	0.747	S	S	*	*			trans	-108.6	106.9	157	-141.4	12.3	0	0	0	110	L1225 N1229	L1225-N1227 PolarHBondContact O-N 3.1Å; N1227-N1229 PolarHBondContact O-N 3.3Å
1228	T	25.9	Very low	26.6	Very low	108.4 Å²	108.4	134 Å²	134	67%	0.665	75%	0.745	S	S	*	*			trans	-118	112.4	167.7	42.8	0	0	0	0	110.4	H1226 I1230	H1226-T1228 VanDerWaalsContact CE1-CG2 3.41Å; H1226-T1228 WeakPolarHBondContact CE1-CG2 3.49Å; H1226-T1228 WeakPolarHBondContact ND1-CG2 3.43Å; H1226-T1228 PolarHBondContact ND1-OG1 3.26Å; H1226-T1228 VanDerWaalsContact ND1-OG1 3.16Å; H1226-T1228 PolarHBondContact O-N 3.26Å; T1228-I1230 PolarHBondContact O-N 2.9Å
1229	N	26.8	Very low	26.7	Very low	137.4 Å²	137.4	133.2 Å²	133.2	74%	0.735	74%	0.741	S	S	*	*			trans	-64.9	123.5	156.3	-74.7	-20.7	0	0	0	112.2	N1227	N1227-N1229 PolarHBondContact O-N 3.3Å
1230	I	28	Very low	26.7	Very low	148.4 Å²	148.4	136.5 Å²	136.5	76%	0.761	75%	0.752	S	S	*	*			trans	164.5	96.3	131	-68.5	160.8	0	0	0	109.2	T1228 T1232	T1228-I1230 PolarHBondContact O-N 2.9Å; I1230-T1232 HydrophobicContact CG2-CG2 4.44Å
1231	N	26	Very low	26.6	Very low	154.6 Å²	154.6	133.1 Å²	133.1	83%	0.827	75%	0.753	S	S	*	*			trans	-153	90.4	149.4	-100.7	-15.8	0	0	0	108.5
1232	T	26.8	Very low	26.6	Very low	120.6 Å²	120.6	135.3 Å²	135.3	74%	0.74	76%	0.757	S	S	*	*			trans	-155.7	100.6	155	50.2	0	0	0	0	111.2	I1230	I1230-T1232 HydrophobicContact CG2-CG2 4.44Å
1233	T	27.1	Very low	26.6	Very low	128.2 Å²	128.2	138.3 Å²	138.3	79%	0.787	76%	0.762	S	S	*	*			trans	150.3	131.4	157.4	39	0	0	0	0	114.5
1234	I	29	Very low	26.8	Very low	162.8 Å²	162.8	137.3 Å²	137.3	84%	0.835	76%	0.758	S	S	*	*			trans	83.2	95.4	160	-53.3	167.8	0	0	0	113.7
1235	S	26	Very low	26.9	Very low	94.6 Å²	94.6	138.5 Å²	138.5	66%	0.662	76%	0.756	S	S	*	*				80	98.7	111.4	-168.2	0	0	0	0	116.1
1236	N	27.6	Very low	27.1	Very low	138.8 Å²	138.8	136.6 Å²	136.6	74%	0.742	75%	0.75	S	S	*	*			trans	82.1	130.3	144.8	-63.5	-9.2	0	0	0	117
1237	H	27.7	Very low	27.2	Very low	171.2 Å²	171.2	135.4 Å²	135.4	79%	0.793	75%	0.75	S	S	*	*				148	134.8	103.5	-104.3	-86.7	0	0	0	113.3
1238	V	26.9	Very low	27.2	Very low	118 Å²	118	135.5 Å²	135.5	72%	0.715	75%	0.75	S	S	*	*			trans	160	107.4	148.3	164.3	0	0	0	0	113.2
1239	T	27.4	Very low	27.4	Very low	113 Å²	113	136.6 Å²	136.6	69%	0.693	75%	0.751	S	S	*	*			trans	101.8	130.6	139.1	49.5	0	0	0	0	116.3
1240	N	26.3	Very low	27.4	Very low	155.8 Å²	155.8	137.8 Å²	137.8	83%	0.833	75%	0.752	S	S	*	*			trans	74.6	127.1	130.9	-65.3	-5.3	0	0	0	114.5
1241	S	26.9	Very low	27.5	Very low	103.6 Å²	103.6	137.1 Å²	137.1	72%	0.724	75%	0.749	S	S	*	*				177.5	139.7	89.7	159.1	0	0	0	0	112.1
1242	M	24.8	Very low	27.6	Very low	167.4 Å²	167.4	134.2 Å²	134.2	83%	0.825	74%	0.738	S	S	*	*				72.3	120.1	119.7	-98	174.4	165	0	0	115
1243	M	27.4	Very low	27.6	Very low	162.8 Å²	162.8	137.2 Å²	137.2	80%	0.802	74%	0.74	S	S	*	*			trans	67.6	128.8	132.3	-86.5	174.4	167.4	0	0	115.9
1244	N	27.8	Very low	27.7	Very low	140.6 Å²	140.6	137.9 Å²	137.9	75%	0.752	74%	0.739	S	S	*	*			trans	-140.3	140.9	139.8	-98.7	17.4	0	0	0	111.3
1245	D	28.5	Very low	27.7	Very low	132 Å²	132	136.3 Å²	136.3	71%	0.706	73%	0.732	S	S	*	*			trans	-152.1	146.6	150.4	-85.3	-39.5	0	0	0	111.7
1246	T	28.9	Very low	27.8	Very low	110.8 Å²	110.8	138.7 Å²	138.7	68%	0.68	74%	0.737	S	S	*	*				104.4	127.7	74.8	45.4	0	0	0	0	116.3
1247	N	28.3	Very low	28	Very low	138.2 Å²	138.2	136.7 Å²	136.7	74%	0.739	73%	0.732	S	S	*	*			trans	70.2	130.2	136	-63.5	-11.4	0	0	0	118.4
1248	N	27.3	Very low	28	Very low	137.4 Å²	137.4	135.6 Å²	135.6	74%	0.735	73%	0.732	S	S	*	*				94.7	156.1	107.1	-86	-5.8	0	0	0	115.6
1249	I	29.8	Very low	28.1	Very low	133.2 Å²	133.2	137.3 Å²	137.3	68%	0.683	74%	0.735	S	S	*	*			trans	129.3	131.8	132.7	-88.5	162.6	0	0	0	111.4
1250	E	27.6	Very low	28.1	Very low	161.4 Å²	161.4	139.3 Å²	139.3	75%	0.754	74%	0.739	S	S	*	*			trans	40.8	149	135.6	-75.8	157.9	179.6	0	0	116.2
1251	D	28.6	Very low	28.2	Very low	133.2 Å²	133.2	137.3 Å²	137.3	71%	0.712	73%	0.728	S	S	*	*				147.2	148.8	92.6	-102.4	-13	0	0	0	117.3
1252	T	28.6	Very low	28.2	Very low	95.6 Å²	95.6	138.2 Å²	138.2	59%	0.587	73%	0.725	S	S	*	*				70.7	142.1	113.9	56.6	0	0	0	0	119.9
1253	K	27.2	Very low	28.3	Very low	182.2 Å²	182.2	136.9 Å²	136.9	79%	0.792	72%	0.721	S	S	*	*			trans	85.9	159	139.1	-72.8	163.7	-173.8	165.4	0	114.7
1254	L	28.8	Very low	28.4	Very low	144 Å²	144	137.8 Å²	137.8	75%	0.754	72%	0.723	S	S	*	*			cis	-171.5	146.6	-2.1	-146.2	81.5	0	0	0	110.9
1255	N	28.6	Very low	28.3	Very low	129.4 Å²	129.4	138.9 Å²	138.9	69%	0.692	72%	0.724	S	S	*	*			trans	1.1	141.4	153	-69.8	19.3	0	0	0	118
1256	D	28.7	Very low	28.2	Very low	143.8 Å²	143.8	139.8 Å²	139.8	77%	0.769	72%	0.724	S	S	*	*				175	162.5	86.7	-89.5	-22.9	0	0	0	114.7
1257	P	32.5	Very low	28	Very low	97.6 Å²	97.6	143 Å²	143	63%	0.634	73%	0.728	S	S	*	*			trans	-120.2	178.4	-135.8	40.4	-29.9	0	0	0	115.1
1258	N	26.8	Very low	27.8	Very low	147.2 Å²	147.2	145.9 Å²	145.9	79%	0.787	74%	0.735	S	S	*	*			trans	105.6	153	153.3	-71.7	-34.7	0	0	0	118.8
1259	I	29.2	Very low	27.7	Very low	154.2 Å²	154.2	144.7 Å²	144.7	79%	0.791	74%	0.736	S	S	*	*			trans	93	105.4	154.7	-63.1	166.6	0	0	0	115.3
1260	M	27.8	Very low	27.4	Very low	155 Å²	155	150.5 Å²	150.5	76%	0.764	75%	0.749	S	S	*	*				58.9	137.4	114.6	-86	-179.6	99.8	0	0	118.7
1261	D	27.3	Very low	27.4	Very low	114 Å²	114	146.1 Å²	146.1	61%	0.61	75%	0.747	S	S	*	*				99.7	131.8	128	-90.2	10.1	0	0	0	120.5
1262	N	28.7	Very low	27.4	Very low	122.2 Å²	122.2	146.7 Å²	146.7	65%	0.653	75%	0.75	S	S	*	*			trans	82.1	115.6	141.6	-63.2	-33	0	0	0	121.1
1263	N	26.9	Very low	27.4	Very low	140.8 Å²	140.8	149 Å²	149	75%	0.753	76%	0.759	S	S	*	*				74.2	139.4	121.8	-58.3	-24	0	0	0	118.5
1264	E	29.1	Very low	27.5	Very low	181.4 Å²	181.4	146.8 Å²	146.8	85%	0.848	76%	0.756	S	S	*	*			trans	116	112.5	139.9	-74.5	179.8	-173.2	0	0	115.3
1265	E	25.1	Very low	27.4	Very low	162.4 Å²	162.4	146.9 Å²	146.9	76%	0.759	76%	0.757	S	S	*	*				64.9	138.3	117.7	-69.9	-153	135.7	0	0	117.1
1266	H	27.3	Very low	27.5	Very low	152.4 Å²	152.4	147.1 Å²	147.1	71%	0.706	76%	0.763	S	S	*	*			trans	89.8	123.8	146	-82.5	-41.6	0	0	0	120
1267	K	24.3	Very low	27.5	Very low	176.4 Å²	176.4	146.7 Å²	146.7	77%	0.767	77%	0.766	S	S	*	*			trans	38.4	128.4	143.2	-64.6	167.9	-179.7	163.6	0	116.8
1268	F	24.3	Very low	27.4	Very low	201 Å²	201	145.1 Å²	145.1	88%	0.882	77%	0.767	S	S	*	*				-176.2	157.3	121.3	-115	-87.5	0	0	0	114.1
1269	C	24.7	Very low	27.4	Very low	111.8 Å²	111.8	145.7 Å²	145.7	76%	0.755	77%	0.769	S	S	*	*			trans	-97.2	143.3	-176.1	-55.6	0	0	0	0	115.4
1270	R	24.3	Very low	27.3	Very low	254.2 Å²	254.2	146.2 Å²	146.2	96%	0.959	77%	0.773	S	S	*	*			trans	114.2	120.7	143.7	-153.8	-176.8	-166.2	-179.2	3.9	114.2
1271	G	27	Very low	27.3	Very low	69.4 Å²	69.4	145.6 Å²	145.6	72%	0.715	77%	0.772	S	S	*	*			trans	167	121.3	155.5	0	0	0	0	0	112.9
1272	N	27.3	Very low	27.3	Very low	145.4 Å²	145.4	147.6 Å²	147.6	78%	0.778	78%	0.782	S	S	*	*			trans	38.7	127.4	151.6	-89.6	17.4	0	0	0	113.9
1273	N	29.5	Very low	27.2	Very low	144.8 Å²	144.8	150.6 Å²	150.6	77%	0.774	79%	0.79	S	S	*	*				-177.9	145.2	123.8	-84.1	-3.4	0	0	0	111.2
1274	D	29	Very low	27.1	Very low	135 Å²	135	149.4 Å²	149.4	72%	0.722	79%	0.791	S	S	*	*			trans	-137	130.3	169.8	-62.2	-51	0	0	0	112.8
1275	N	27.7	Very low	27	Very low	147.2 Å²	147.2	149.7 Å²	149.7	79%	0.787	79%	0.79	S	S	*	*			trans	139.4	127.9	132.9	-84.3	-42.7	0	0	0	116.3
1276	V	31	Very low	27.1	Very low	132.6 Å²	132.6	148.3 Å²	148.3	80%	0.804	79%	0.788	S	S	*	*			trans	89.2	59.2	169.9	-164.5	0	0	0	0	114.8	G1278	V1276-G1278 PolarHBondContact O-N 3.4Å; V1276-G1278 VanDerWaalsContact O-N 3.17Å
1277	T	28.1	Very low	27	Very low	135.8 Å²	135.8	146.1 Å²	146.1	83%	0.833	79%	0.788	S	S	*	*			trans	-9.4	106.3	130.2	13.4	0	0	0	0	115.4
1278	G	29.2	Very low	27.2	Very low	63.4 Å²	63.4	143.6 Å²	143.6	65%	0.654	79%	0.788	S	S	*	*			trans	-178.7	51.3	170.3	0	0	0	0	0	118	V1276 L1280	V1276-G1278 PolarHBondContact O-N 3.4Å; V1276-G1278 VanDerWaalsContact O-N 3.17Å; G1278-L1280 PolarHBondContact O-N 3.45Å
1279	L	27.1	Very low	27.3	Very low	160.8 Å²	160.8	143.4 Å²	143.4	84%	0.842	79%	0.787	S	S	*	*	S	Bend	trans	5.7	75.4	162.5	-90	147.2	0	0	0	117.4	N1281	L1279-N1281 PolarHBondContact O-N 3.43Å
1280	L	27.9	Very low	27.4	Very low	164.2 Å²	164.2	146.9 Å²	146.9	86%	0.86	79%	0.792	S	S	*	*			trans	-138.5	36.3	153.9	-130.4	77.3	0	0	0	115	G1278 L1282	G1278-L1280 PolarHBondContact O-N 3.45Å; L1280-L1282 PolarHBondContact O-N 2.96Å
1281	N	27.9	Very low	27.4	Very low	141.4 Å²	141.4	145.8 Å²	145.8	76%	0.756	79%	0.788	S	S	*	*			trans	-94.6	83.9	174.5	-82.1	-25.8	0	0	0	114	L1279 F1283 C1284	L1279-N1281 PolarHBondContact O-N 3.43Å; N1281-F1283 PolarHBondContact O-N 2.91Å; N1281-C1284 VanDerWaalsContact OD1-CB 3.27Å; N1281-C1284 WeakPolarHBondContact OD1-CB 3.31Å
1282	L	26.9	Very low	27.3	Very low	157 Å²	157	148 Å²	148	82%	0.822	79%	0.791	S	S	*	*			trans	-125.2	99.1	164.9	-151.9	87.4	0	0	0	110.1	L1280	L1280-L1282 PolarHBondContact O-N 2.96Å
1283	F	26.7	Very low	27.4	Very low	185.8 Å²	185.8	149.7 Å²	149.7	82%	0.815	79%	0.794	S	S	*	*	S	Bend	trans	-159	116.6	167.7	-93.4	-87.4	0	0	0	113.2	N1281 F1285	N1281-F1283 PolarHBondContact O-N 2.91Å; F1283-F1285 HydrophobicContact CD1-CB 4.3Å; F1283-F1285 AromaticContact CD1-CD2 3.7Å; F1283-F1285 HydrophobicContact CD1-CD2 3.7Å; F1283-F1285 HydrophobicContact CD1-CG 4.42Å; F1283-F1285 AromaticContact CE1-CD2 3.76Å; F1283-F1285 HydrophobicContact CE1-CD2 3.76Å; F1283-F1285 HydrophobicContact CE1-CE2 4.17Å
1284	C	25.6	Very low	27.2	Very low	114.8 Å²	114.8	150.3 Å²	150.3	78%	0.776	80%	0.797	S	S	*	*			trans	16.3	77.5	171.1	-84.9	0	0	0	0	116.6	N1281 N1286	N1281-C1284 VanDerWaalsContact OD1-CB 3.27Å; N1281-C1284 WeakPolarHBondContact OD1-CB 3.31Å; C1284-N1286 PolarHBondContact O-N 3.43Å
1285	F	26.1	Very low	27.1	Very low	188.2 Å²	188.2	152.4 Å²	152.4	83%	0.825	80%	0.802	S	S	*	*			trans	-149.6	108	147.3	-122.9	-101.3	0	0	0	111.5	F1283	F1283-F1285 HydrophobicContact CD1-CB 4.3Å; F1283-F1285 AromaticContact CD1-CD2 3.7Å; F1283-F1285 HydrophobicContact CD1-CD2 3.7Å; F1283-F1285 HydrophobicContact CD1-CG 4.42Å; F1283-F1285 AromaticContact CE1-CD2 3.76Å; F1283-F1285 HydrophobicContact CE1-CD2 3.76Å; F1283-F1285 HydrophobicContact CE1-CE2 4.17Å
1286	N	26.8	Very low	27.2	Very low	133.6 Å²	133.6	151.1 Å²	151.1	71%	0.714	81%	0.805	S	S	*	*				-172.9	105.8	124	-144.2	0	0	0	0	112.2	C1284	C1284-N1286 PolarHBondContact O-N 3.43Å
1287	C	26.6	Very low	26.9	Very low	105.6 Å²	105.6	148.4 Å²	148.4	71%	0.714	80%	0.803	S	S	*	*			trans	-120.7	103	172.9	-90.9	0	0	0	0	114.7
1288	T	27.6	Very low	26.9	Very low	124.6 Å²	124.6	151.6 Å²	151.6	76%	0.764	81%	0.806	S	S	*	*				144.9	141.6	119.6	47	0	0	0	0	113.6
1289	K	27.1	Very low	26.7	Very low	196.6 Å²	196.6	153.9 Å²	153.9	86%	0.855	81%	0.812	S	S	*	*			trans	78.7	108.9	168	-104.2	174.1	177.8	175.7	0	115.9
1290	Q	26.9	Very low	26.9	Very low	184 Å²	184	152.4 Å²	152.4	86%	0.86	81%	0.809	S	S	*	*				-137.4	128.4	103.2	-115.1	165.4	-21.8	0	0	110.1
1291	R	24.1	Very low	26.9	Very low	231 Å²	231	151.5 Å²	151.5	87%	0.872	81%	0.805	S	S	*	*			trans	-143	127.9	154.1	-162.5	176.8	-171.3	164.3	1.4	108.9
1292	C	24.5	Very low	27	Very low	116.4 Å²	116.4	150.9 Å²	150.9	79%	0.786	80%	0.802	S	S	*	*			trans	156.5	120	166	-72.1	0	0	0	0	112.1
1293	Q	28.1	Very low	27.1	Very low	181.2 Å²	181.2	152 Å²	152	85%	0.847	80%	0.8	S	S	*	*				-178.1	123.3	127.3	-84.2	-176.6	-21.8	0	0	110.7
1294	L	27.1	Very low	27.2	Very low	157.8 Å²	157.8	152.6 Å²	152.6	83%	0.826	80%	0.803	S	S	*	*			trans	-134.1	127.6	138.2	-120.7	111.7	0	0	0	110.2
1295	E	27.1	Very low	27.4	Very low	178.6 Å²	178.6	153.2 Å²	153.2	84%	0.835	80%	0.798	S	S	*	*				-170.7	134.8	124.8	-108.1	171.3	-167.2	0	0	113.2
1296	S	28.6	Very low	27.7	Very low	119.6 Å²	119.6	149.9 Å²	149.9	84%	0.836	79%	0.793	S	S	*	*			trans	94.4	126.3	153.6	62.1	0	0	0	0	115.3
1297	G	25.6	Very low	27.9	Very low	75.2 Å²	75.2	149.5 Å²	149.5	78%	0.775	79%	0.791	S	S	*	*			trans	-111.4	133.4	168.6	0	0	0	0	0	115.5
1298	K	27.3	Very low	28.3	Very low	203.6 Å²	203.6	149.5 Å²	149.5	89%	0.885	78%	0.784	S	S	*	*			trans	-176	127.5	151.4	-98.9	166.4	-175.1	176.5	0	111.9	V1300	K1298-V1300 PolarHBondContact O-N 3.36Å
1299	S	25.5	Very low	28.5	Very low	112 Å²	112	147.9 Å²	147.9	78%	0.783	78%	0.778	S	S	*	*			trans	2.5	117	148.6	57.2	0	0	0	0	115
1300	V	31.7	Very low	28.7	Very low	128.6 Å²	128.6	145.4 Å²	145.4	78%	0.779	77%	0.771	S	S	*	*				-149.2	130.3	127.2	171.1	0	0	0	0	111.7	K1298 D1302	K1298-V1300 PolarHBondContact O-N 3.36Å; V1300-D1302 HydrophobicContact CG1-CB 3.87Å; V1300-D1302 PolarHBondContact O-N 3.13Å
1301	N	27.1	Very low	29.1	Very low	146.6 Å²	146.6	143.7 Å²	143.7	78%	0.784	76%	0.761	S	S	*	*			trans	-57	119.4	163.7	-67.1	-24.3	0	0	0	113.5
1302	D	30	Very low	29.6	Very low	128.2 Å²	128.2	138.6 Å²	138.6	69%	0.686	75%	0.751	S	S	*	*			trans	178.9	129.2	130.4	-103.5	-30.3	0	0	0	114.7	V1300	V1300-D1302 HydrophobicContact CG1-CB 3.87Å; V1300-D1302 PolarHBondContact O-N 3.13Å
1303	K	28.3	Very low	30.2	Very low	179.8 Å²	179.8	139.7 Å²	139.7	78%	0.782	75%	0.745	S	S	*	*			trans	85.3	92.9	160.3	-78.4	166	-168.1	170.8	0	117.1
1304	F	28.6	Very low	30.7	Very low	198.8 Å²	198.8	134.2 Å²	134.2	87%	0.872	73%	0.726	S	S	*	*			trans	-128.7	117.4	149.2	-107.7	-93.4	0	0	0	111.8	V1306	F1304-V1306 VanDerWaalsContact C-N 3.26Å; F1304-V1306 HydrophobicContact CD1-CG2 3.73Å; F1304-V1306 HydrophobicContact CE1-CG2 4.17Å; F1304-V1306 PolarHBondContact O-N 3.06Å
1305	N	29.9	Very low	31.5	Very low	126.6 Å²	126.6	129.2 Å²	129.2	68%	0.677	70%	0.704	S	S	*	*			trans	-116.5	93	170.4	-131.3	-11	0	0	0	112.3	N1307 D1308 H1554	N1305-N1307 VanDerWaalsContact C-N 3.27Å; N1305-N1307 PolarHBondContact O-N 3.17Å; N1305-N1307 VanDerWaalsContact O-N 3.12Å; N1305-D1308 PolarHBondContact ND2-OD2 2.83Å; N1305-D1308 PolarHBondContact O-N 3.27Å; N1305-D1308 PolarHBondContact OD1-OD2 2.81Å; N1305-H1554 PolarHBondContact ND2-NE2 3.2Å
1306	V	32.8	Very low	32.1	Very low	119.2 Å²	119.2	125.6 Å²	125.6	72%	0.722	69%	0.69	S	S	*	*			trans	-83.2	26.5	-177.4	179.8	0	0	0	0	111.5	F1304 D1308	F1304-V1306 VanDerWaalsContact C-N 3.26Å; F1304-V1306 HydrophobicContact CD1-CG2 3.73Å; F1304-V1306 HydrophobicContact CE1-CG2 4.17Å; F1304-V1306 PolarHBondContact O-N 3.06Å; V1306-D1308 PolarHBondContact O-N 3.04Å
1307	N	32.2	Very low	32.9	Very low	124.8 Å²	124.8	123.8 Å²	123.8	67%	0.667	67%	0.674	S	S	*	*			trans	-97	-8.2	-176.3	-93.3	-6.7	0	0	0	115.6	N1305 S1309 K1311	N1305-N1307 VanDerWaalsContact C-N 3.27Å; N1305-N1307 PolarHBondContact O-N 3.17Å; N1305-N1307 VanDerWaalsContact O-N 3.12Å; N1307-S1309 PolarHBondContact O-N 3.47Å; N1307-K1311 PolarHBondContact O-N 3.28Å
1308	D	33.3	Very low	33.7	Very low	106.6 Å²	106.6	124.7 Å²	124.7	57%	0.57	66%	0.661	S	S	*	*	H	α-helix	trans	-91.5	-9.1	-172.8	-77.8	-38.7	0	0	0	115.2	N1305 V1306 M1310 K1311 N1312	N1305-D1308 PolarHBondContact ND2-OD2 2.83Å; N1305-D1308 PolarHBondContact O-N 3.27Å; N1305-D1308 PolarHBondContact OD1-OD2 2.81Å; V1306-D1308 PolarHBondContact O-N 3.04Å; D1308-M1310 VanDerWaalsContact C-N 3.33Å; D1308-M1310 PolarHBondContact O-N 3.03Å; D1308-K1311 PolarHBondContact O-N 3.31Å; D1308-K1311 VanDerWaalsContact OD1-CD 3.27Å; D1308-K1311 WeakPolarHBondContact OD1-CD 3.38Å; D1308-K1311 WeakPolarHBondContact OD1-CE 3.48Å; D1308-K1311 IonicContact OD1-NZ 3.07Å; D1308-K1311 PolarHBondContact OD1-NZ 3.34Å; D1308-K1311 VanDerWaalsContact OD1-NZ 3.16Å; D1308-K1311 IonicContact OD2-NZ 2.65Å; D1308-N1312 PolarHBondContact O-N 2.97Å; D1308-N1312 VanDerWaalsContact O-N 3.11Å; D1308-N1312 PolarHBondContact O-ND2 3.05Å
1309	S	31.8	Very low	34.7	Very low	91.6 Å²	91.6	120 Å²	120	64%	0.641	64%	0.644	S	S	*	*	H	α-helix	trans	-76.8	-26.4	176.5	117.6	0	0	0	0	113.8	N1307 K1311 N1312 Q1313	N1307-S1309 PolarHBondContact O-N 3.47Å; S1309-K1311 PolarHBondContact O-N 3.39Å; S1309-N1312 PolarHBondContact O-N 3.19Å; S1309-Q1313 PolarHBondContact O-N 2.88Å
1310	M	32.8	Very low	35.6	Very low	142.2 Å²	142.2	119.6 Å²	119.6	70%	0.7	63%	0.633	S	S	*	*	H	α-helix	trans	-79.9	-21.5	-178.4	-79.8	-150.8	164.9	0	0	114.5	D1308 N1312 Q1313 S1314	D1308-M1310 VanDerWaalsContact C-N 3.33Å; D1308-M1310 PolarHBondContact O-N 3.03Å; M1310-N1312 VanDerWaalsContact C-N 3.35Å; M1310-N1312 PolarHBondContact O-N 3.33Å; M1310-Q1313 PolarHBondContact O-N 3.18Å; M1310-S1314 PolarHBondContact O-N 3.31Å; M1310-S1314 VanDerWaalsContact O-N 3.12Å; M1310-S1314 PolarHBondContact O-OG 3.21Å
1311	K	34.2	Very low	36.4	Very low	149.2 Å²	149.2	119.6 Å²	119.6	65%	0.649	62%	0.62	S	S	*	*	H	α-helix	trans	-69.5	-29.7	179.7	-83.2	178.5	179.3	166.8	0	114.1	N1307 D1308 S1309 Q1313 S1314 S1315	N1307-K1311 PolarHBondContact O-N 3.28Å; D1308-K1311 PolarHBondContact O-N 3.31Å; D1308-K1311 VanDerWaalsContact OD1-CD 3.27Å; D1308-K1311 WeakPolarHBondContact OD1-CD 3.38Å; D1308-K1311 WeakPolarHBondContact OD1-CE 3.48Å; D1308-K1311 IonicContact OD1-NZ 3.07Å; D1308-K1311 PolarHBondContact OD1-NZ 3.34Å; D1308-K1311 VanDerWaalsContact OD1-NZ 3.16Å; D1308-K1311 IonicContact OD2-NZ 2.65Å; S1309-K1311 PolarHBondContact O-N 3.39Å; K1311-Q1313 VanDerWaalsContact C-N 3.35Å; K1311-Q1313 PolarHBondContact O-N 3.07Å; K1311-S1314 PolarHBondContact O-N 2.92Å; K1311-S1314 PolarHBondContact O-OG 3.29Å; K1311-S1314 VanDerWaalsContact O-OG 3.12Å; K1311-S1315 PolarHBondContact O-N 3.08Å
1312	N	35.8	Very low	37.4	Very low	124 Å²	124	118.5 Å²	118.5	66%	0.663	61%	0.608	S	S	*	*	H	α-helix	trans	-77.7	-22.9	179.9	-81.9	-21.5	0	0	0	113.5	D1308 S1309 M1310 S1314 S1315 L1316	D1308-N1312 PolarHBondContact O-N 2.97Å; D1308-N1312 VanDerWaalsContact O-N 3.11Å; D1308-N1312 PolarHBondContact O-ND2 3.05Å; S1309-N1312 PolarHBondContact O-N 3.19Å; M1310-N1312 VanDerWaalsContact C-N 3.35Å; M1310-N1312 PolarHBondContact O-N 3.33Å; N1312-S1314 PolarHBondContact O-N 3.22Å; N1312-S1315 PolarHBondContact O-N 3.07Å; N1312-S1315 PolarHBondContact O-OG 2.98Å; N1312-L1316 PolarHBondContact O-N 3.04Å
1313	Q	36.3	Very low	38.4	Very low	140.4 Å²	140.4	114.9 Å²	114.9	66%	0.656	59%	0.593	S	S	*	*	H	α-helix	trans	-77.2	-27.9	178.3	-94.4	-177.6	-15.6	0	0	113.6	S1309 M1310 K1311 S1315 L1316 V1317	S1309-Q1313 PolarHBondContact O-N 2.88Å; M1310-Q1313 PolarHBondContact O-N 3.18Å; K1311-Q1313 VanDerWaalsContact C-N 3.35Å; K1311-Q1313 PolarHBondContact O-N 3.07Å; Q1313-S1315 PolarHBondContact O-N 3.09Å; Q1313-L1316 PolarHBondContact O-N 3.26Å; Q1313-V1317 WeakPolarHBondContact O-CG2 3.34Å; Q1313-V1317 PolarHBondContact O-N 2.86Å; Q1313-V1317 VanDerWaalsContact O-N 3.16Å
1314	S	38.4	Very low	39.5	Very low	65.4 Å²	65.4	109.4 Å²	109.4	46%	0.457	57%	0.574	S	S	.	*	H	α-helix	trans	-64.6	-45.6	178.5	54	0	0	0	0	112.8	M1310 K1311 N1312 L1316 V1317 D1318	M1310-S1314 PolarHBondContact O-N 3.31Å; M1310-S1314 VanDerWaalsContact O-N 3.12Å; M1310-S1314 PolarHBondContact O-OG 3.21Å; K1311-S1314 PolarHBondContact O-N 2.92Å; K1311-S1314 PolarHBondContact O-OG 3.29Å; K1311-S1314 VanDerWaalsContact O-OG 3.12Å; N1312-S1314 PolarHBondContact O-N 3.22Å; S1314-L1316 VanDerWaalsContact C-N 3.31Å; S1314-L1316 PolarHBondContact O-N 3.19Å; S1314-V1317 WeakPolarHBondContact O-CB 3.43Å; S1314-V1317 PolarHBondContact O-N 3.24Å; S1314-D1318 PolarHBondContact O-N 3.29Å; S1314-D1318 VanDerWaalsContact O-N 3.1Å
1315	S	43.4	Very low	40.8	Very low	52.8 Å²	52.8	104.2 Å²	104.2	37%	0.369	56%	0.555	S	S	.	*	H	α-helix	trans	-62.7	-31.1	-176	68.2	0	0	0	0	114.2	K1311 N1312 Q1313 D1318 I1319	K1311-S1315 PolarHBondContact O-N 3.08Å; N1312-S1315 PolarHBondContact O-N 3.07Å; N1312-S1315 PolarHBondContact O-OG 2.98Å; Q1313-S1315 PolarHBondContact O-N 3.09Å; S1315-D1318 PolarHBondContact O-N 2.89Å; S1315-I1319 WeakPolarHBondContact O-CB 3.35Å; S1315-I1319 WeakPolarHBondContact O-CD1 3.35Å; S1315-I1319 VanDerWaalsContact O-CG1 3.26Å; S1315-I1319 WeakPolarHBondContact O-CG1 3.38Å; S1315-I1319 PolarHBondContact O-N 3.19Å; S1315-I1319 VanDerWaalsContact O-N 3.16Å
1316	L	39.5	Very low	42.1	Very low	103 Å²	103	101.7 Å²	101.7	54%	0.539	54%	0.541	S	S	.	.	H	α-helix	trans	-74.7	-34.9	178.6	-129.6	170.8	0	0	0	111.6	N1312 Q1313 S1314 I1319 L1320	N1312-L1316 PolarHBondContact O-N 3.04Å; Q1313-L1316 PolarHBondContact O-N 3.26Å; S1314-L1316 VanDerWaalsContact C-N 3.31Å; S1314-L1316 PolarHBondContact O-N 3.19Å; L1316-I1319 PolarHBondContact O-N 3.09Å; L1316-L1320 HydrophobicContact CD2-CD1 3.83Å; L1316-L1320 HydrophobicContact CD2-CG 4.22Å; L1316-L1320 WeakPolarHBondContact O-CB 3.28Å; L1316-L1320 WeakPolarHBondContact O-CG 3.37Å; L1316-L1320 PolarHBondContact O-N 3.05Å; L1316-L1320 VanDerWaalsContact O-N 3.16Å
1317	V	46.1	Very low	43.1	Very low	81 Å²	81	103.4 Å²	103.4	49%	0.491	54%	0.535	S	S	.	.	H	α-helix	trans	-67.2	-43.5	174.4	175	0	0	0	0	110.6	Q1313 S1314 I1319 L1320 Y1321	Q1313-V1317 WeakPolarHBondContact O-CG2 3.34Å; Q1313-V1317 PolarHBondContact O-N 2.86Å; Q1313-V1317 VanDerWaalsContact O-N 3.16Å; S1314-V1317 WeakPolarHBondContact O-CB 3.43Å; S1314-V1317 PolarHBondContact O-N 3.24Å; V1317-I1319 VanDerWaalsContact C-N 3.34Å; V1317-I1319 PolarHBondContact O-N 3.2Å; V1317-L1320 PolarHBondContact O-N 2.99Å; V1317-Y1321 HydrophobicContact CG1-CD2 4.35Å; V1317-Y1321 VanDerWaalsContact O-CB 3.31Å; V1317-Y1321 WeakPolarHBondContact O-CB 3.41Å; V1317-Y1321 PolarHBondContact O-N 3.11Å
1318	D	42.6	Very low	44.2	Very low	95.2 Å²	95.2	101.4 Å²	101.4	51%	0.509	52%	0.524	S	S	.	.	H	α-helix	trans	-63.2	-40.2	178	-67.8	-28.4	0	0	0	112	S1314 S1315 L1320 Y1321 F1322	S1314-D1318 PolarHBondContact O-N 3.29Å; S1314-D1318 VanDerWaalsContact O-N 3.1Å; S1315-D1318 PolarHBondContact O-N 2.89Å; D1318-L1320 PolarHBondContact O-N 2.6Å; D1318-Y1321 VanDerWaalsContact O-CB 3.3Å; D1318-Y1321 WeakPolarHBondContact O-CB 3.49Å; D1318-Y1321 PolarHBondContact O-N 3.02Å; D1318-F1322 WeakPolarHBondContact O-CB 3.47Å; D1318-F1322 WeakPolarHBondContact O-CD2 3.34Å; D1318-F1322 PolarHBondContact O-N 3.21Å; D1318-F1322 VanDerWaalsContact O-N 3.1Å
1319	I	48.9	Very low	45.2	Very low	103.4 Å²	103.4	99.5 Å²	99.5	53%	0.53	52%	0.517	S	S	.	.	H	α-helix	trans	-64.9	-41.2	176.5	-70.4	165.2	0	0	0	111.6	S1315 L1316 V1317 Y1321 F1322 S1323	S1315-I1319 WeakPolarHBondContact O-CB 3.35Å; S1315-I1319 WeakPolarHBondContact O-CD1 3.35Å; S1315-I1319 VanDerWaalsContact O-CG1 3.26Å; S1315-I1319 WeakPolarHBondContact O-CG1 3.38Å; S1315-I1319 PolarHBondContact O-N 3.19Å; S1315-I1319 VanDerWaalsContact O-N 3.16Å; L1316-I1319 PolarHBondContact O-N 3.09Å; V1317-I1319 VanDerWaalsContact C-N 3.34Å; V1317-I1319 PolarHBondContact O-N 3.2Å; I1319-Y1321 VanDerWaalsContact C-N 3.33Å; I1319-F1322 PolarHBondContact O-N 3.32Å; I1319-S1323 VanDerWaalsContact O-CB 3.29Å; I1319-S1323 WeakPolarHBondContact O-CB 3.43Å; I1319-S1323 PolarHBondContact O-N 3.08Å
1320	L	43.9	Very low	46.2	Very low	104.2 Å²	104.2	100 Å²	100	55%	0.546	51%	0.508	S	S	.	.	H	α-helix	trans	-67.6	-35.4	174.9	-76.1	165.6	0	0	0	112	L1316 V1317 D1318 F1322 S1323 T1324	L1316-L1320 HydrophobicContact CD2-CD1 3.83Å; L1316-L1320 HydrophobicContact CD2-CG 4.22Å; L1316-L1320 WeakPolarHBondContact O-CB 3.28Å; L1316-L1320 WeakPolarHBondContact O-CG 3.37Å; L1316-L1320 PolarHBondContact O-N 3.05Å; L1316-L1320 VanDerWaalsContact O-N 3.16Å; V1317-L1320 PolarHBondContact O-N 2.99Å; D1318-L1320 PolarHBondContact O-N 2.6Å; L1320-F1322 PolarHBondContact O-N 3.48Å; L1320-S1323 WeakPolarHBondContact O-CB 3.45Å; L1320-S1323 PolarHBondContact O-N 3.23Å; L1320-S1323 PolarHBondContact O-OG 2.8Å; L1320-T1324 WeakPolarHBondContact O-CB 3.38Å; L1320-T1324 WeakPolarHBondContact O-CG2 3.37Å; L1320-T1324 PolarHBondContact O-N 3.12Å; L1320-T1324 VanDerWaalsContact O-N 3.11Å; L1320-T1324 PolarHBondContact O-OG1 3.1Å
1321	Y	49.5	Very low	47.1	Very low	129.6 Å²	129.6	98.6 Å²	98.6	51%	0.508	50%	0.503	S	S	.	.	H	α-helix	trans	-67.3	-42.5	176.2	-147.7	-102.3	0	0	0	112	V1317 D1318 I1319 S1323 T1324 I1325 L1388	V1317-Y1321 HydrophobicContact CG1-CD2 4.35Å; V1317-Y1321 VanDerWaalsContact O-CB 3.31Å; V1317-Y1321 WeakPolarHBondContact O-CB 3.41Å; V1317-Y1321 PolarHBondContact O-N 3.11Å; D1318-Y1321 VanDerWaalsContact O-CB 3.3Å; D1318-Y1321 WeakPolarHBondContact O-CB 3.49Å; D1318-Y1321 PolarHBondContact O-N 3.02Å; I1319-Y1321 VanDerWaalsContact C-N 3.33Å; Y1321-S1323 VanDerWaalsContact C-N 3.31Å; Y1321-S1323 PolarHBondContact O-N 3.17Å; Y1321-T1324 PolarHBondContact O-N 3.4Å; Y1321-T1324 PolarHBondContact O-OG1 3.01Å; Y1321-T1324 VanDerWaalsContact O-OG1 3.05Å; Y1321-I1325 HydrophobicContact CD1-CD1 3.75Å; Y1321-I1325 VanDerWaalsContact CD1-CD1 3.49Å; Y1321-I1325 HydrophobicContact CD1-CG1 4.41Å; Y1321-I1325 HydrophobicContact CD2-CD1 4.47Å; Y1321-I1325 HydrophobicContact CE1-CD1 3.58Å; Y1321-I1325 HydrophobicContact CE2-CD1 4.19Å; Y1321-I1325 HydrophobicContact CG-CD1 4.29Å; Y1321-I1325 WeakPolarHBondContact O-CB 3.35Å; Y1321-I1325 WeakPolarHBondContact O-CG1 3.34Å; Y1321-I1325 PolarHBondContact O-N 3.24Å; Y1321-L1388 HydrophobicContact CE2-CD1 4.19Å
1322	F	47.5	Very low	48.3	Very low	123.4 Å²	123.4	96.1 Å²	96.1	54%	0.541	50%	0.495	S	S	.	.	H	α-helix	trans	-65	-37.9	175	-109.9	-82.5	0	0	0	112.4	D1318 I1319 L1320 I1326	D1318-F1322 WeakPolarHBondContact O-CB 3.47Å; D1318-F1322 WeakPolarHBondContact O-CD2 3.34Å; D1318-F1322 PolarHBondContact O-N 3.21Å; D1318-F1322 VanDerWaalsContact O-N 3.1Å; I1319-F1322 PolarHBondContact O-N 3.32Å; L1320-F1322 PolarHBondContact O-N 3.48Å; F1322-I1326 HydrophobicContact CD1-CD1 4.02Å; F1322-I1326 HydrophobicContact CE1-CD1 3.84Å; F1322-I1326 HydrophobicContact CE1-CG1 4.46Å; F1322-I1326 HydrophobicContact CZ-CD1 3.75Å; F1322-I1326 WeakPolarHBondContact O-CB 3.44Å; F1322-I1326 WeakPolarHBondContact O-CD1 3.31Å; F1322-I1326 VanDerWaalsContact O-CG1 3.27Å; F1322-I1326 WeakPolarHBondContact O-CG1 3.35Å; F1322-I1326 PolarHBondContact O-N 3.19Å; F1322-I1326 VanDerWaalsContact O-N 3.09Å
1323	S	50.4	Low	49.4	Very low	51.2 Å²	51.2	94.5 Å²	94.5	36%	0.358	49%	0.486	S	S	.	.	H	α-helix	trans	-64.3	-45	176.4	170.1	0	0	0	0	112	I1319 L1320 Y1321 I1325 I1326 Y1327	I1319-S1323 VanDerWaalsContact O-CB 3.29Å; I1319-S1323 WeakPolarHBondContact O-CB 3.43Å; I1319-S1323 PolarHBondContact O-N 3.08Å; L1320-S1323 WeakPolarHBondContact O-CB 3.45Å; L1320-S1323 PolarHBondContact O-N 3.23Å; L1320-S1323 PolarHBondContact O-OG 2.8Å; Y1321-S1323 VanDerWaalsContact C-N 3.31Å; Y1321-S1323 PolarHBondContact O-N 3.17Å; S1323-I1325 PolarHBondContact O-N 3.11Å; S1323-I1326 PolarHBondContact O-N 3.22Å; S1323-I1326 VanDerWaalsContact O-N 3.09Å; S1323-Y1327 WeakPolarHBondContact O-CA 3.38Å; S1323-Y1327 WeakPolarHBondContact O-CB 3.36Å; S1323-Y1327 WeakPolarHBondContact O-CD2 3.4Å; S1323-Y1327 PolarHBondContact O-N 3.39Å
1324	T	51.4	Low	50.1	Low	63.8 Å²	63.8	92.8 Å²	92.8	39%	0.391	48%	0.477	S	S	.	.	H	α-helix	trans	-69.2	-37.9	-179.4	48.6	0	0	0	0	112.9	L1320 Y1321 I1326 Y1327 I1328	L1320-T1324 WeakPolarHBondContact O-CB 3.38Å; L1320-T1324 WeakPolarHBondContact O-CG2 3.37Å; L1320-T1324 PolarHBondContact O-N 3.12Å; L1320-T1324 VanDerWaalsContact O-N 3.11Å; L1320-T1324 PolarHBondContact O-OG1 3.1Å; Y1321-T1324 PolarHBondContact O-N 3.4Å; Y1321-T1324 PolarHBondContact O-OG1 3.01Å; Y1321-T1324 VanDerWaalsContact O-OG1 3.05Å; T1324-I1326 VanDerWaalsContact C-N 3.28Å; T1324-I1326 PolarHBondContact O-N 3.38Å; T1324-Y1327 PolarHBondContact O-N 3.06Å; T1324-I1328 HydrophobicContact CG2-CD1 3.92Å; T1324-I1328 WeakPolarHBondContact O-CB 3.41Å; T1324-I1328 WeakPolarHBondContact O-CD1 3.39Å; T1324-I1328 VanDerWaalsContact O-CG1 3.3Å; T1324-I1328 WeakPolarHBondContact O-CG1 3.39Å; T1324-I1328 PolarHBondContact O-N 3.16Å; T1324-I1328 VanDerWaalsContact O-N 3.14Å
1325	I	56.7	Low	50.9	Low	90.2 Å²	90.2	91.3 Å²	91.3	46%	0.463	47%	0.472	S	S	.	.	H	α-helix	trans	-64.3	-33.6	177	-72	172.7	0	0	0	112.4	Y1321 S1323 P1329	Y1321-I1325 HydrophobicContact CD1-CD1 3.75Å; Y1321-I1325 VanDerWaalsContact CD1-CD1 3.49Å; Y1321-I1325 HydrophobicContact CD1-CG1 4.41Å; Y1321-I1325 HydrophobicContact CD2-CD1 4.47Å; Y1321-I1325 HydrophobicContact CE1-CD1 3.58Å; Y1321-I1325 HydrophobicContact CE2-CD1 4.19Å; Y1321-I1325 HydrophobicContact CG-CD1 4.29Å; Y1321-I1325 WeakPolarHBondContact O-CB 3.35Å; Y1321-I1325 WeakPolarHBondContact O-CG1 3.34Å; Y1321-I1325 PolarHBondContact O-N 3.24Å; S1323-I1325 PolarHBondContact O-N 3.11Å; I1325-P1329 VanDerWaalsContact O-CD 3.29Å; I1325-P1329 WeakPolarHBondContact O-CD 3.42Å; I1325-P1329 VanDerWaalsContact O-CG 3.26Å; I1325-P1329 WeakPolarHBondContact O-CG 3.4Å
1326	I	56	Low	51.5	Low	75 Å²	75	94.6 Å²	94.6	39%	0.385	48%	0.479	S	S	.	.	H	α-helix	trans	-86.9	-41.7	-179.4	-63.8	172.2	0	0	0	111.7	F1322 S1323 T1324 P1329 F1330 L1652	F1322-I1326 HydrophobicContact CD1-CD1 4.02Å; F1322-I1326 HydrophobicContact CE1-CD1 3.84Å; F1322-I1326 HydrophobicContact CE1-CG1 4.46Å; F1322-I1326 HydrophobicContact CZ-CD1 3.75Å; F1322-I1326 WeakPolarHBondContact O-CB 3.44Å; F1322-I1326 WeakPolarHBondContact O-CD1 3.31Å; F1322-I1326 VanDerWaalsContact O-CG1 3.27Å; F1322-I1326 WeakPolarHBondContact O-CG1 3.35Å; F1322-I1326 PolarHBondContact O-N 3.19Å; F1322-I1326 VanDerWaalsContact O-N 3.09Å; S1323-I1326 PolarHBondContact O-N 3.22Å; S1323-I1326 VanDerWaalsContact O-N 3.09Å; T1324-I1326 VanDerWaalsContact C-N 3.28Å; T1324-I1326 PolarHBondContact O-N 3.38Å; I1326-P1329 WeakPolarHBondContact O-CD 3.28Å; I1326-F1330 HydrophobicContact CG2-CD2 4.3Å; I1326-F1330 WeakPolarHBondContact O-CB 3.23Å; I1326-F1330 PolarHBondContact O-N 3.46Å; I1326-L1652 HydrophobicContact CD1-CD1 4.06Å; I1326-L1652 HydrophobicContact CD1-CD2 3.65Å; I1326-L1652 HydrophobicContact CG1-CD2 4.45Å
1327	Y	53.5	Low	52.2	Low	154 Å²	154	93.6 Å²	93.6	60%	0.604	47%	0.474	S	S	*	.	H	α-helix	trans	-73.7	-33.8	-175.1	-98.4	-86.3	0	0	0	113.8	S1323 T1324 F1330 L1331	S1323-Y1327 WeakPolarHBondContact O-CA 3.38Å; S1323-Y1327 WeakPolarHBondContact O-CB 3.36Å; S1323-Y1327 WeakPolarHBondContact O-CD2 3.4Å; S1323-Y1327 PolarHBondContact O-N 3.39Å; T1324-Y1327 PolarHBondContact O-N 3.06Å; Y1327-F1330 PolarHBondContact O-N 3.23Å; Y1327-L1331 HydrophobicContact CD1-CD1 4.23Å; Y1327-L1331 HydrophobicContact CD1-CG 4.41Å; Y1327-L1331 WeakPolarHBondContact O-CB 3.3Å; Y1327-L1331 VanDerWaalsContact O-CG 3.29Å; Y1327-L1331 WeakPolarHBondContact O-CG 3.33Å; Y1327-L1331 PolarHBondContact O-N 3.27Å
1328	I	56.2	Low	52.5	Low	84 Å²	84	94.3 Å²	94.3	43%	0.431	47%	0.472	S	S	.	.	H	α-helix	trans	-65.3	-48.9	-176.9	-68.3	168.9	0	0	0	112.1	T1324 F1330 L1331 I1332	T1324-I1328 HydrophobicContact CG2-CD1 3.92Å; T1324-I1328 WeakPolarHBondContact O-CB 3.41Å; T1324-I1328 WeakPolarHBondContact O-CD1 3.39Å; T1324-I1328 VanDerWaalsContact O-CG1 3.3Å; T1324-I1328 WeakPolarHBondContact O-CG1 3.39Å; T1324-I1328 PolarHBondContact O-N 3.16Å; T1324-I1328 VanDerWaalsContact O-N 3.14Å; I1328-F1330 VanDerWaalsContact C-N 3.3Å; I1328-F1330 PolarHBondContact O-N 3.14Å; I1328-L1331 PolarHBondContact O-N 3.09Å; I1328-I1332 HydrophobicContact CG2-CD1 3.81Å; I1328-I1332 HydrophobicContact CG2-CG1 4.45Å; I1328-I1332 VanDerWaalsContact O-CG1 3.3Å; I1328-I1332 WeakPolarHBondContact O-CG1 3.38Å; I1328-I1332 PolarHBondContact O-N 3.03Å; I1328-I1332 VanDerWaalsContact O-N 3.11Å
1329	P	54.6	Low	52.9	Low	66 Å²	66	93.6 Å²	93.6	43%	0.429	47%	0.468	S	S	.	.	H	α-helix	trans	-60.4	-36.7	174.2	-25	35.3	0	0	0	113.3	I1325 I1326 I1332 L1333	I1325-P1329 VanDerWaalsContact O-CD 3.29Å; I1325-P1329 WeakPolarHBondContact O-CD 3.42Å; I1325-P1329 VanDerWaalsContact O-CG 3.26Å; I1325-P1329 WeakPolarHBondContact O-CG 3.4Å; I1326-P1329 WeakPolarHBondContact O-CD 3.28Å; P1329-I1332 PolarHBondContact O-N 3.19Å; P1329-L1333 VanDerWaalsContact O-CB 3.29Å; P1329-L1333 WeakPolarHBondContact O-CB 3.36Å; P1329-L1333 PolarHBondContact O-N 3Å
1330	F	51.6	Low	53	Low	103 Å²	103	95.6 Å²	95.6	45%	0.452	48%	0.479	S	S	.	.	H	α-helix	trans	-66.6	-41	177.6	-114.2	-84.3	0	0	0	112.3	I1326 Y1327 I1328 L1333 F1334 L1644 L1648	I1326-F1330 HydrophobicContact CG2-CD2 4.3Å; I1326-F1330 WeakPolarHBondContact O-CB 3.23Å; I1326-F1330 PolarHBondContact O-N 3.46Å; Y1327-F1330 PolarHBondContact O-N 3.23Å; I1328-F1330 VanDerWaalsContact C-N 3.3Å; I1328-F1330 PolarHBondContact O-N 3.14Å; F1330-L1333 PolarHBondContact O-N 3.11Å; F1330-F1334 VanDerWaalsContact O-CB 3.24Å; F1330-F1334 WeakPolarHBondContact O-CB 3.33Å; F1330-F1334 PolarHBondContact O-N 3.16Å; F1330-L1644 HydrophobicContact CE1-CD1 4.18Å; F1330-L1644 HydrophobicContact CE1-CD2 4.25Å; F1330-L1644 HydrophobicContact CE2-CD1 4.43Å; F1330-L1644 HydrophobicContact CE2-CD2 3.66Å; F1330-L1644 HydrophobicContact CE2-CG 3.99Å; F1330-L1644 HydrophobicContact CZ-CD1 4.28Å; F1330-L1644 HydrophobicContact CZ-CD2 3.5Å; F1330-L1644 VanDerWaalsContact CZ-CD2 3.5Å; F1330-L1644 HydrophobicContact CZ-CG 4.01Å; F1330-L1648 HydrophobicContact CD2-CD2 4.31Å; F1330-L1648 HydrophobicContact CE2-CD2 3.94Å
1331	L	53.6	Low	53.6	Low	112 Å²	112	95.1 Å²	95.1	59%	0.586	48%	0.479	S	S	*	.	H	α-helix	trans	-66.7	-37.5	174.4	-75.6	167.4	0	0	0	112.2	Y1327 I1328 G1335	Y1327-L1331 HydrophobicContact CD1-CD1 4.23Å; Y1327-L1331 HydrophobicContact CD1-CG 4.41Å; Y1327-L1331 WeakPolarHBondContact O-CB 3.3Å; Y1327-L1331 VanDerWaalsContact O-CG 3.29Å; Y1327-L1331 WeakPolarHBondContact O-CG 3.33Å; Y1327-L1331 PolarHBondContact O-N 3.27Å; I1328-L1331 PolarHBondContact O-N 3.09Å; L1331-G1335 PolarHBondContact O-N 3.18Å
1332	I	58.2	Low	53.6	Low	95.8 Å²	95.8	93.4 Å²	93.4	49%	0.491	48%	0.477	S	S	.	.	H	α-helix	trans	-66.1	-44.8	174.9	-68.1	166.2	0	0	0	110.6	I1328 P1329 F1334 G1335 F1336	I1328-I1332 HydrophobicContact CG2-CD1 3.81Å; I1328-I1332 HydrophobicContact CG2-CG1 4.45Å; I1328-I1332 VanDerWaalsContact O-CG1 3.3Å; I1328-I1332 WeakPolarHBondContact O-CG1 3.38Å; I1328-I1332 PolarHBondContact O-N 3.03Å; I1328-I1332 VanDerWaalsContact O-N 3.11Å; P1329-I1332 PolarHBondContact O-N 3.19Å; I1332-F1334 VanDerWaalsContact C-N 3.34Å; I1332-G1335 PolarHBondContact O-N 3.16Å; I1332-F1336 HydrophobicContact CG2-CD2 4.35Å; I1332-F1336 WeakPolarHBondContact O-CB 3.42Å; I1332-F1336 PolarHBondContact O-N 3.15Å
1333	L	58.6	Low	53.9	Low	90.6 Å²	90.6	91.8 Å²	91.8	47%	0.474	48%	0.48	S	S	.	.	H	α-helix	trans	-64.4	-43.7	177.5	-173.6	67.8	0	0	0	111.6	P1329 F1330 G1335 F1336 I1337	P1329-L1333 VanDerWaalsContact O-CB 3.29Å; P1329-L1333 WeakPolarHBondContact O-CB 3.36Å; P1329-L1333 PolarHBondContact O-N 3Å; F1330-L1333 PolarHBondContact O-N 3.11Å; L1333-G1335 VanDerWaalsContact C-N 3.33Å; L1333-G1335 PolarHBondContact O-N 3.3Å; L1333-F1336 WeakPolarHBondContact O-CB 3.34Å; L1333-F1336 PolarHBondContact O-N 3.12Å; L1333-I1337 HydrophobicContact CD1-CD1 4.45Å; L1333-I1337 HydrophobicContact CG-CD1 4.2Å; L1333-I1337 VanDerWaalsContact O-CG1 3.3Å; L1333-I1337 WeakPolarHBondContact O-CG1 3.36Å; L1333-I1337 PolarHBondContact O-N 3.12Å
1334	F	51.7	Low	53.9	Low	105.8 Å²	105.8	98.5 Å²	98.5	46%	0.464	50%	0.497	S	S	.	.	H	α-helix	trans	-63	-40.9	175.7	-170.3	-98.7	0	0	0	111.8	F1330 I1332 F1336 I1337 H1338	F1330-F1334 VanDerWaalsContact O-CB 3.24Å; F1330-F1334 WeakPolarHBondContact O-CB 3.33Å; F1330-F1334 PolarHBondContact O-N 3.16Å; I1332-F1334 VanDerWaalsContact C-N 3.34Å; F1334-F1336 VanDerWaalsContact C-N 3.34Å; F1334-F1336 PolarHBondContact O-N 2.89Å; F1334-I1337 PolarHBondContact O-N 3.33Å; F1334-H1338 AromaticContact CD1-CD2 3.83Å; F1334-H1338 AromaticContact CE1-CD2 3.46Å; F1334-H1338 VanDerWaalsContact CE1-CD2 3.46Å; F1334-H1338 WeakPolarHBondContact CE1-CD2 3.43Å; F1334-H1338 AromaticContact CE1-NE2 3.64Å; F1334-H1338 WeakPolarHBondContact CE1-NE2 3.43Å; F1334-H1338 AromaticContact CE2-CD2 4Å; F1334-H1338 AromaticContact CE2-NE2 3.99Å; F1334-H1338 AromaticContact CZ-CD2 3.65Å; F1334-H1338 AromaticContact CZ-NE2 3.49Å; F1334-H1338 WeakPolarHBondContact CZ-NE2 3.41Å; F1334-H1338 WeakPolarHBondContact O-CB 3.31Å; F1334-H1338 PolarHBondContact O-N 3.36Å; F1334-H1338 VanDerWaalsContact O-N 3.15Å
1335	G	55.3	Low	54	Low	33.2 Å²	33.2	99.5 Å²	99.5	34%	0.342	51%	0.506	S	S	.	.	H	α-helix	trans	-61.6	-41.9	172.1	0	0	0	0	0	112.9	L1331 I1332 L1333 I1337 H1338 L1339	L1331-G1335 PolarHBondContact O-N 3.18Å; I1332-G1335 PolarHBondContact O-N 3.16Å; L1333-G1335 VanDerWaalsContact C-N 3.33Å; L1333-G1335 PolarHBondContact O-N 3.3Å; G1335-I1337 PolarHBondContact O-N 3.42Å; G1335-H1338 PolarHBondContact O-N 3.18Å; G1335-L1339 WeakPolarHBondContact O-CB 3.37Å; G1335-L1339 WeakPolarHBondContact O-CD1 3.45Å; G1335-L1339 PolarHBondContact O-N 3.22Å
1336	F	55.6	Low	53.8	Low	121.4 Å²	121.4	99.9 Å²	99.9	53%	0.532	51%	0.509	S	S	.	.	H	α-helix	trans	-64.9	-41.4	176	-114.3	-85.6	0	0	0	112.8	I1332 L1333 F1334 H1338 L1339 L1340 V1399	I1332-F1336 HydrophobicContact CG2-CD2 4.35Å; I1332-F1336 WeakPolarHBondContact O-CB 3.42Å; I1332-F1336 PolarHBondContact O-N 3.15Å; L1333-F1336 WeakPolarHBondContact O-CB 3.34Å; L1333-F1336 PolarHBondContact O-N 3.12Å; F1334-F1336 VanDerWaalsContact C-N 3.34Å; F1334-F1336 PolarHBondContact O-N 2.89Å; F1336-H1338 VanDerWaalsContact C-N 3.31Å; F1336-H1338 PolarHBondContact O-N 3.34Å; F1336-L1339 WeakPolarHBondContact O-CB 3.39Å; F1336-L1339 PolarHBondContact O-N 3.04Å; F1336-L1340 WeakPolarHBondContact O-CG 3.43Å; F1336-L1340 PolarHBondContact O-N 3.12Å; F1336-V1399 HydrophobicContact CE2-CG1 4.32Å; F1336-V1399 HydrophobicContact CE2-CG2 3.83Å; F1336-V1399 HydrophobicContact CZ-CG1 4.05Å; F1336-V1399 HydrophobicContact CZ-CG2 3.79Å
1337	I	55.4	Low	53.7	Low	83.2 Å²	83.2	99.8 Å²	99.8	43%	0.427	51%	0.509	S	S	.	.	H	α-helix	trans	-63.5	-42.5	175.4	-68.5	166.1	0	0	0	110.2	L1333 F1334 G1335 L1339 L1340 V1341	L1333-I1337 HydrophobicContact CD1-CD1 4.45Å; L1333-I1337 HydrophobicContact CG-CD1 4.2Å; L1333-I1337 VanDerWaalsContact O-CG1 3.3Å; L1333-I1337 WeakPolarHBondContact O-CG1 3.36Å; L1333-I1337 PolarHBondContact O-N 3.12Å; F1334-I1337 PolarHBondContact O-N 3.33Å; G1335-I1337 PolarHBondContact O-N 3.42Å; I1337-L1339 PolarHBondContact O-N 3.27Å; I1337-L1340 PolarHBondContact O-N 2.91Å; I1337-V1341 VanDerWaalsContact O-CG2 3.32Å; I1337-V1341 WeakPolarHBondContact O-CG2 3.31Å; I1337-V1341 PolarHBondContact O-N 3.43Å
1338	H	50.5	Low	53.6	Low	96 Å²	96	97.8 Å²	97.8	44%	0.444	51%	0.508	S	S	.	.	H	α-helix	trans	-66.1	-34.9	174.1	-96.8	-81.6	0	0	0	113.4	F1334 G1335 F1336 L1340 V1341 M1342	F1334-H1338 AromaticContact CD1-CD2 3.83Å; F1334-H1338 AromaticContact CE1-CD2 3.46Å; F1334-H1338 VanDerWaalsContact CE1-CD2 3.46Å; F1334-H1338 WeakPolarHBondContact CE1-CD2 3.43Å; F1334-H1338 AromaticContact CE1-NE2 3.64Å; F1334-H1338 WeakPolarHBondContact CE1-NE2 3.43Å; F1334-H1338 AromaticContact CE2-CD2 4Å; F1334-H1338 AromaticContact CE2-NE2 3.99Å; F1334-H1338 AromaticContact CZ-CD2 3.65Å; F1334-H1338 AromaticContact CZ-NE2 3.49Å; F1334-H1338 WeakPolarHBondContact CZ-NE2 3.41Å; F1334-H1338 WeakPolarHBondContact O-CB 3.31Å; F1334-H1338 PolarHBondContact O-N 3.36Å; F1334-H1338 VanDerWaalsContact O-N 3.15Å; G1335-H1338 PolarHBondContact O-N 3.18Å; F1336-H1338 VanDerWaalsContact C-N 3.31Å; F1336-H1338 PolarHBondContact O-N 3.34Å; H1338-L1340 VanDerWaalsContact C-N 3.29Å; H1338-L1340 PolarHBondContact O-N 3.08Å; H1338-V1341 PolarHBondContact O-N 3.28Å; H1338-M1342 WeakPolarHBondContact O-CG 3.42Å; H1338-M1342 PolarHBondContact O-N 3.17Å; H1338-M1342 VanDerWaalsContact O-N 3.15Å
1339	L	51.3	Low	53.4	Low	80.2 Å²	80.2	100.9 Å²	100.9	42%	0.42	52%	0.519	S	S	.	.	H	α-helix	trans	-63.3	-33.4	175.8	-129.1	87.6	0	0	0	112.5	G1335 F1336 I1337 V1341 M1342 L1347 F1349 V1350	G1335-L1339 WeakPolarHBondContact O-CB 3.37Å; G1335-L1339 WeakPolarHBondContact O-CD1 3.45Å; G1335-L1339 PolarHBondContact O-N 3.22Å; F1336-L1339 WeakPolarHBondContact O-CB 3.39Å; F1336-L1339 PolarHBondContact O-N 3.04Å; I1337-L1339 PolarHBondContact O-N 3.27Å; L1339-V1341 VanDerWaalsContact C-N 3.3Å; L1339-V1341 PolarHBondContact O-N 3.24Å; L1339-M1342 PolarHBondContact O-N 3.27Å; L1339-L1347 HydrophobicContact CB-CD1 4.04Å; L1339-L1347 HydrophobicContact CD1-CD1 3.92Å; L1339-L1347 HydrophobicContact CD1-CD2 4.31Å; L1339-L1347 HydrophobicContact CD2-CD1 4.02Å; L1339-L1347 HydrophobicContact CG-CD1 4.17Å; L1339-L1347 HydrophobicContact CG-CD2 4.2Å; L1339-L1347 VanDerWaalsContact O-CD1 3.31Å; L1339-L1347 WeakPolarHBondContact O-CD1 3.48Å; L1339-F1349 HydrophobicContact CD1-CD2 3.63Å; L1339-F1349 HydrophobicContact CD1-CE2 4.25Å; L1339-F1349 HydrophobicContact CD1-CG 4.36Å; L1339-V1350 HydrophobicContact CD1-CG1 4.08Å; L1339-V1350 HydrophobicContact CD2-CG1 4.24Å; L1339-V1350 HydrophobicContact CG-CG1 4.26Å
1340	L	52.4	Low	53.3	Low	145.2 Å²	145.2	100.4 Å²	100.4	76%	0.76	51%	0.514	S	S	*	.	H	α-helix	trans	-75.3	-14.7	179.2	-76.6	166.1	0	0	0	113.9	F1336 I1337 H1338	F1336-L1340 WeakPolarHBondContact O-CG 3.43Å; F1336-L1340 PolarHBondContact O-N 3.12Å; I1337-L1340 PolarHBondContact O-N 2.91Å; H1338-L1340 VanDerWaalsContact C-N 3.29Å; H1338-L1340 PolarHBondContact O-N 3.08Å
1341	V	55.6	Low	53.5	Low	93.4 Å²	93.4	97.5 Å²	97.5	57%	0.566	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-13.8	-173.7	176.7	0	0	0	0	113.1	I1337 H1338 L1339	I1337-V1341 VanDerWaalsContact O-CG2 3.32Å; I1337-V1341 WeakPolarHBondContact O-CG2 3.31Å; I1337-V1341 PolarHBondContact O-N 3.43Å; H1338-V1341 PolarHBondContact O-N 3.28Å; L1339-V1341 VanDerWaalsContact C-N 3.3Å; L1339-V1341 PolarHBondContact O-N 3.24Å
1342	M	49.9	Very low	53.5	Low	94.6 Å²	94.6	95.3 Å²	95.3	47%	0.466	50%	0.503	S	S	.	.	S	Bend	trans	-98.8	138.1	-176.1	-79	-72.7	156.5	0	0	113.9	H1338 L1339 R1344 S1345 L1346 L1347	H1338-M1342 WeakPolarHBondContact O-CG 3.42Å; H1338-M1342 PolarHBondContact O-N 3.17Å; H1338-M1342 VanDerWaalsContact O-N 3.15Å; L1339-M1342 PolarHBondContact O-N 3.27Å; M1342-R1344 VanDerWaalsContact C-N 3.29Å; M1342-R1344 PolarHBondContact O-N 2.84Å; M1342-S1345 VanDerWaalsContact O-CB 3.28Å; M1342-S1345 WeakPolarHBondContact O-CB 3.35Å; M1342-S1345 PolarHBondContact O-OG 3.2Å; M1342-L1346 HydrophobicContact SD-CD1 3.99Å; M1342-L1346 HydrophobicContact SD-CD2 3.94Å; M1342-L1347 HydrophobicContact CB-CD1 4.34Å
1343	P	53.4	Low	53.4	Low	90.2 Å²	90.2	93.7 Å²	93.7	59%	0.586	50%	0.501	S	S	*	.			trans	-70.4	133.4	179.6	28.1	-33.8	0	0	0	113.1	S1345 L1346 L1347	P1343-S1345 VanDerWaalsContact C-N 3.29Å; P1343-S1345 PolarHBondContact O-N 3.26Å; P1343-S1345 VanDerWaalsContact O-N 3.09Å; P1343-L1346 HydrophobicContact CG-CB 4.28Å; P1343-L1346 HydrophobicContact CG-CD1 4.44Å; P1343-L1346 WeakPolarHBondContact O-CA 3.44Å; P1343-L1346 WeakPolarHBondContact O-CB 3.48Å; P1343-L1346 PolarHBondContact O-N 2.99Å; P1343-L1346 VanDerWaalsContact O-N 3.09Å; P1343-L1347 PolarHBondContact O-N 2.91Å; P1343-L1347 VanDerWaalsContact O-N 3.1Å
1344	R	49.5	Very low	53.3	Low	190 Å²	190	96.2 Å²	96.2	72%	0.717	51%	0.508	S	S	*	.	H	α-helix	trans	-62.5	-22.8	-172.1	-100.2	177.8	170.9	146.1	-3.4	115.3	M1342 L1346 L1348	M1342-R1344 VanDerWaalsContact C-N 3.29Å; M1342-R1344 PolarHBondContact O-N 2.84Å; R1344-L1346 PolarHBondContact O-N 2.87Å; R1344-L1348 PolarHBondContact O-N 3.17Å
1345	S	54.1	Low	53.6	Low	85 Å²	85	93.1 Å²	93.1	59%	0.594	50%	0.502	S	S	*	.	H	α-helix	trans	-71	-33.4	-175.9	49.8	0	0	0	0	113.7	M1342 P1343 L1347 L1348 F1349	M1342-S1345 VanDerWaalsContact O-CB 3.28Å; M1342-S1345 WeakPolarHBondContact O-CB 3.35Å; M1342-S1345 PolarHBondContact O-OG 3.2Å; P1343-S1345 VanDerWaalsContact C-N 3.29Å; P1343-S1345 PolarHBondContact O-N 3.26Å; P1343-S1345 VanDerWaalsContact O-N 3.09Å; S1345-L1347 PolarHBondContact O-N 3.1Å; S1345-L1348 PolarHBondContact O-N 3.1Å; S1345-F1349 WeakPolarHBondContact O-CB 3.41Å; S1345-F1349 PolarHBondContact O-N 3.12Å; S1345-F1349 VanDerWaalsContact O-N 3.13Å
1346	L	52.8	Low	53.7	Low	100 Å²	100	95.4 Å²	95.4	52%	0.524	51%	0.509	S	S	.	.	H	α-helix	trans	-74.4	-35.4	-176.9	-150.3	149.8	0	0	0	111.4	M1342 P1343 R1344 L1348 F1349 V1350	M1342-L1346 HydrophobicContact SD-CD1 3.99Å; M1342-L1346 HydrophobicContact SD-CD2 3.94Å; P1343-L1346 HydrophobicContact CG-CB 4.28Å; P1343-L1346 HydrophobicContact CG-CD1 4.44Å; P1343-L1346 WeakPolarHBondContact O-CA 3.44Å; P1343-L1346 WeakPolarHBondContact O-CB 3.48Å; P1343-L1346 PolarHBondContact O-N 2.99Å; P1343-L1346 VanDerWaalsContact O-N 3.09Å; R1344-L1346 PolarHBondContact O-N 2.87Å; L1346-L1348 VanDerWaalsContact C-N 3.35Å; L1346-L1348 PolarHBondContact O-N 3.28Å; L1346-F1349 WeakPolarHBondContact O-CB 3.42Å; L1346-F1349 PolarHBondContact O-N 3.13Å; L1346-V1350 HydrophobicContact CD2-CG2 3.85Å; L1346-V1350 HydrophobicContact CG-CG2 4.24Å; L1346-V1350 WeakPolarHBondContact O-CB 3.36Å; L1346-V1350 VanDerWaalsContact O-CG2 3.24Å; L1346-V1350 WeakPolarHBondContact O-CG2 3.38Å; L1346-V1350 PolarHBondContact O-N 3.25Å
1347	L	53	Low	53.8	Low	71.2 Å²	71.2	92.1 Å²	92.1	37%	0.373	50%	0.504	S	S	.	.	H	α-helix	trans	-60.7	-42.3	175.8	-158.2	80.4	0	0	0	112.3	L1339 M1342 P1343 S1345 V1350 A1351	L1339-L1347 HydrophobicContact CB-CD1 4.04Å; L1339-L1347 HydrophobicContact CD1-CD1 3.92Å; L1339-L1347 HydrophobicContact CD1-CD2 4.31Å; L1339-L1347 HydrophobicContact CD2-CD1 4.02Å; L1339-L1347 HydrophobicContact CG-CD1 4.17Å; L1339-L1347 HydrophobicContact CG-CD2 4.2Å; L1339-L1347 VanDerWaalsContact O-CD1 3.31Å; L1339-L1347 WeakPolarHBondContact O-CD1 3.48Å; M1342-L1347 HydrophobicContact CB-CD1 4.34Å; P1343-L1347 PolarHBondContact O-N 2.91Å; P1343-L1347 VanDerWaalsContact O-N 3.1Å; S1345-L1347 PolarHBondContact O-N 3.1Å; L1347-V1350 PolarHBondContact O-N 3.28Å; L1347-A1351 WeakPolarHBondContact O-CB 3.42Å; L1347-A1351 PolarHBondContact O-N 3.21Å
1348	L	51.5	Low	54	Low	113 Å²	113	91.7 Å²	91.7	59%	0.592	50%	0.498	S	S	*	.	H	α-helix	trans	-65.1	-41.8	177	-89.9	162.1	0	0	0	112.4	R1344 S1345 L1346 A1351 S1352	R1344-L1348 PolarHBondContact O-N 3.17Å; S1345-L1348 PolarHBondContact O-N 3.1Å; L1346-L1348 VanDerWaalsContact C-N 3.35Å; L1346-L1348 PolarHBondContact O-N 3.28Å; L1348-A1351 PolarHBondContact O-N 3.24Å; L1348-S1352 WeakPolarHBondContact O-CB 3.37Å; L1348-S1352 PolarHBondContact O-N 2.97Å; L1348-S1352 VanDerWaalsContact O-N 3.1Å; L1348-S1352 PolarHBondContact O-OG 3.46Å
1349	F	52	Low	54.6	Low	148.4 Å²	148.4	91.6 Å²	91.6	65%	0.651	50%	0.5	S	S	*	.	H	α-helix	trans	-65.9	-44.5	178	-165.3	-95.5	0	0	0	111.3	L1339 S1345 L1346 A1351 S1352 S1353	L1339-F1349 HydrophobicContact CD1-CD2 3.63Å; L1339-F1349 HydrophobicContact CD1-CE2 4.25Å; L1339-F1349 HydrophobicContact CD1-CG 4.36Å; S1345-F1349 WeakPolarHBondContact O-CB 3.41Å; S1345-F1349 PolarHBondContact O-N 3.12Å; S1345-F1349 VanDerWaalsContact O-N 3.13Å; L1346-F1349 WeakPolarHBondContact O-CB 3.42Å; L1346-F1349 PolarHBondContact O-N 3.13Å; F1349-A1351 PolarHBondContact O-N 3.17Å; F1349-S1352 PolarHBondContact O-N 3.17Å; F1349-S1352 PolarHBondContact O-OG 2.98Å; F1349-S1353 WeakPolarHBondContact O-CB 3.38Å; F1349-S1353 PolarHBondContact O-N 3.14Å; F1349-S1353 VanDerWaalsContact O-N 3.13Å
1350	V	53.9	Low	54.9	Low	56.2 Å²	56.2	91.6 Å²	91.6	34%	0.341	50%	0.503	S	S	.	.	H	α-helix	trans	-64	-45	176	172.4	0	0	0	0	111.2	L1339 L1346 L1347 S1352 S1353 F1354	L1339-V1350 HydrophobicContact CD1-CG1 4.08Å; L1339-V1350 HydrophobicContact CD2-CG1 4.24Å; L1339-V1350 HydrophobicContact CG-CG1 4.26Å; L1346-V1350 HydrophobicContact CD2-CG2 3.85Å; L1346-V1350 HydrophobicContact CG-CG2 4.24Å; L1346-V1350 WeakPolarHBondContact O-CB 3.36Å; L1346-V1350 VanDerWaalsContact O-CG2 3.24Å; L1346-V1350 WeakPolarHBondContact O-CG2 3.38Å; L1346-V1350 PolarHBondContact O-N 3.25Å; L1347-V1350 PolarHBondContact O-N 3.28Å; V1350-S1352 VanDerWaalsContact C-N 3.34Å; V1350-S1352 PolarHBondContact O-N 3.29Å; V1350-S1353 WeakPolarHBondContact O-CB 3.46Å; V1350-S1353 PolarHBondContact O-N 3.16Å; V1350-F1354 HydrophobicContact CG1-CD2 3.71Å; V1350-F1354 HydrophobicContact CG1-CE2 3.84Å; V1350-F1354 WeakPolarHBondContact O-CB 3.36Å; V1350-F1354 VanDerWaalsContact O-CD2 3.28Å; V1350-F1354 WeakPolarHBondContact O-CD2 3.39Å; V1350-F1354 PolarHBondContact O-N 2.97Å
1351	A	54.2	Low	55.3	Low	42.2 Å²	42.2	89.3 Å²	89.3	35%	0.349	49%	0.491	S	S	.	.	H	α-helix	trans	-62.2	-41.8	177.3	0	0	0	0	0	112.5	L1347 L1348 F1349 S1353 F1354 A1355	L1347-A1351 WeakPolarHBondContact O-CB 3.42Å; L1347-A1351 PolarHBondContact O-N 3.21Å; L1348-A1351 PolarHBondContact O-N 3.24Å; F1349-A1351 PolarHBondContact O-N 3.17Å; A1351-S1353 VanDerWaalsContact C-N 3.32Å; A1351-S1353 PolarHBondContact O-N 3.32Å; A1351-F1354 PolarHBondContact O-N 3.19Å; A1351-A1355 VanDerWaalsContact O-CB 3.25Å; A1351-A1355 WeakPolarHBondContact O-CB 3.46Å; A1351-A1355 PolarHBondContact O-N 3.19Å
1352	S	54.9	Low	55.4	Low	65 Å²	65	87.7 Å²	87.7	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-66.2	-38.8	175.9	115.8	0	0	0	0	112.4	L1348 F1349 V1350 A1355 T1356	L1348-S1352 WeakPolarHBondContact O-CB 3.37Å; L1348-S1352 PolarHBondContact O-N 2.97Å; L1348-S1352 VanDerWaalsContact O-N 3.1Å; L1348-S1352 PolarHBondContact O-OG 3.46Å; F1349-S1352 PolarHBondContact O-N 3.17Å; F1349-S1352 PolarHBondContact O-OG 2.98Å; V1350-S1352 VanDerWaalsContact C-N 3.34Å; V1350-S1352 PolarHBondContact O-N 3.29Å; S1352-A1355 PolarHBondContact O-N 3.04Å; S1352-T1356 WeakPolarHBondContact O-CB 3.45Å; S1352-T1356 VanDerWaalsContact O-CG2 3.28Å; S1352-T1356 WeakPolarHBondContact O-CG2 3.37Å; S1352-T1356 PolarHBondContact O-N 3.04Å; S1352-T1356 PolarHBondContact O-OG1 3.12Å
1353	S	55.7	Low	55.8	Low	62.4 Å²	62.4	88.4 Å²	88.4	44%	0.436	48%	0.482	S	S	.	.	H	α-helix	trans	-66.4	-45.3	176.8	-173.7	0	0	0	0	111.6	F1349 V1350 A1351 A1355 T1356 A1357	F1349-S1353 WeakPolarHBondContact O-CB 3.38Å; F1349-S1353 PolarHBondContact O-N 3.14Å; F1349-S1353 VanDerWaalsContact O-N 3.13Å; V1350-S1353 WeakPolarHBondContact O-CB 3.46Å; V1350-S1353 PolarHBondContact O-N 3.16Å; A1351-S1353 VanDerWaalsContact C-N 3.32Å; A1351-S1353 PolarHBondContact O-N 3.32Å; S1353-A1355 PolarHBondContact O-N 2.98Å; S1353-T1356 WeakPolarHBondContact CA-OG1 3.36Å; S1353-T1356 PolarHBondContact O-N 3.04Å; S1353-T1356 PolarHBondContact O-OG1 3.02Å; S1353-T1356 VanDerWaalsContact O-OG1 3.07Å; S1353-A1357 VanDerWaalsContact O-CB 3.27Å; S1353-A1357 WeakPolarHBondContact O-CB 3.41Å; S1353-A1357 PolarHBondContact O-N 3.15Å
1354	F	57.2	Low	56.1	Low	144.2 Å²	144.2	87 Å²	87	63%	0.632	48%	0.479	S	S	*	.	H	α-helix	trans	-66.2	-39.8	175.1	-87.5	-77.9	0	0	0	112.8	V1350 A1351 T1356 A1357 Y1358	V1350-F1354 HydrophobicContact CG1-CD2 3.71Å; V1350-F1354 HydrophobicContact CG1-CE2 3.84Å; V1350-F1354 WeakPolarHBondContact O-CB 3.36Å; V1350-F1354 VanDerWaalsContact O-CD2 3.28Å; V1350-F1354 WeakPolarHBondContact O-CD2 3.39Å; V1350-F1354 PolarHBondContact O-N 2.97Å; A1351-F1354 PolarHBondContact O-N 3.19Å; F1354-T1356 PolarHBondContact O-N 3.25Å; F1354-A1357 PolarHBondContact O-N 3.1Å; F1354-Y1358 VanDerWaalsContact O-CB 3.26Å; F1354-Y1358 WeakPolarHBondContact O-CB 3.38Å; F1354-Y1358 PolarHBondContact O-N 3.15Å
1355	A	57.9	Low	56.4	Low	40 Å²	40	81 Å²	81	33%	0.331	46%	0.46	S	S	.	.	H	α-helix	trans	-64	-44.3	176.7	0	0	0	0	0	112	A1351 S1352 S1353 Y1358 I1359	A1351-A1355 VanDerWaalsContact O-CB 3.25Å; A1351-A1355 WeakPolarHBondContact O-CB 3.46Å; A1351-A1355 PolarHBondContact O-N 3.19Å; S1352-A1355 PolarHBondContact O-N 3.04Å; S1353-A1355 PolarHBondContact O-N 2.98Å; A1355-Y1358 PolarHBondContact O-N 3.23Å; A1355-I1359 WeakPolarHBondContact O-CB 3.33Å; A1355-I1359 WeakPolarHBondContact O-CD1 3.43Å; A1355-I1359 VanDerWaalsContact O-CG1 3.27Å; A1355-I1359 WeakPolarHBondContact O-CG1 3.29Å; A1355-I1359 PolarHBondContact O-N 3.03Å
1356	T	56.6	Low	56.4	Low	80.8 Å²	80.8	82.5 Å²	82.5	50%	0.496	46%	0.461	S	S	.	.	H	α-helix	trans	-68.8	-40.7	177.7	49.8	0	0	0	0	112.3	S1352 S1353 F1354 Y1358 I1359 T1360	S1352-T1356 WeakPolarHBondContact O-CB 3.45Å; S1352-T1356 VanDerWaalsContact O-CG2 3.28Å; S1352-T1356 WeakPolarHBondContact O-CG2 3.37Å; S1352-T1356 PolarHBondContact O-N 3.04Å; S1352-T1356 PolarHBondContact O-OG1 3.12Å; S1353-T1356 WeakPolarHBondContact CA-OG1 3.36Å; S1353-T1356 PolarHBondContact O-N 3.04Å; S1353-T1356 PolarHBondContact O-OG1 3.02Å; S1353-T1356 VanDerWaalsContact O-OG1 3.07Å; F1354-T1356 PolarHBondContact O-N 3.25Å; T1356-Y1358 VanDerWaalsContact C-N 3.33Å; T1356-Y1358 PolarHBondContact O-N 3.12Å; T1356-I1359 PolarHBondContact O-N 2.96Å; T1356-T1360 WeakPolarHBondContact O-CB 3.33Å; T1356-T1360 WeakPolarHBondContact O-CG2 3.36Å; T1356-T1360 PolarHBondContact O-N 3.23Å; T1356-T1360 PolarHBondContact O-OG1 2.99Å; T1356-T1360 VanDerWaalsContact O-OG1 3.11Å
1357	A	58.7	Low	56.4	Low	52.2 Å²	52.2	79.8 Å²	79.8	43%	0.431	46%	0.457	S	S	.	.	H	α-helix	trans	-62.3	-38.6	172.7	0	0	0	0	0	112.5	S1353 F1354 T1360 L1361	S1353-A1357 VanDerWaalsContact O-CB 3.27Å; S1353-A1357 WeakPolarHBondContact O-CB 3.41Å; S1353-A1357 PolarHBondContact O-N 3.15Å; F1354-A1357 PolarHBondContact O-N 3.1Å; A1357-T1360 VanDerWaalsContact C-OG1 3.28Å; A1357-T1360 WeakPolarHBondContact CA-OG1 3.37Å; A1357-T1360 PolarHBondContact O-N 3.36Å; A1357-T1360 PolarHBondContact O-OG1 3.08Å; A1357-T1360 VanDerWaalsContact O-OG1 3.08Å; A1357-L1361 VanDerWaalsContact O-CB 3.26Å; A1357-L1361 WeakPolarHBondContact O-CB 3.37Å; A1357-L1361 PolarHBondContact O-N 2.93Å
1358	Y	59.7	Low	56.5	Low	76.2 Å²	76.2	78.5 Å²	78.5	30%	0.299	46%	0.457	S	S	.	.	H	α-helix	trans	-70.7	-42.6	177.8	-174.9	-101.3	0	0	0	112.5	F1354 A1355 T1356 T1360 L1361 Q1362 L1392 T1393 V1396	F1354-Y1358 VanDerWaalsContact O-CB 3.26Å; F1354-Y1358 WeakPolarHBondContact O-CB 3.38Å; F1354-Y1358 PolarHBondContact O-N 3.15Å; A1355-Y1358 PolarHBondContact O-N 3.23Å; T1356-Y1358 VanDerWaalsContact C-N 3.33Å; T1356-Y1358 PolarHBondContact O-N 3.12Å; Y1358-T1360 VanDerWaalsContact C-N 3.3Å; Y1358-T1360 PolarHBondContact O-N 3.14Å; Y1358-L1361 HydrophobicContact CD2-CD2 4.34Å; Y1358-L1361 HydrophobicContact CE2-CD2 4.43Å; Y1358-L1361 PolarHBondContact O-N 3.21Å; Y1358-Q1362 HydrophobicContact CD1-CG 4.22Å; Y1358-Q1362 HydrophobicContact CE1-CG 3.83Å; Y1358-Q1362 HydrophobicContact CE2-CG 4.37Å; Y1358-Q1362 WeakPolarHBondContact O-CB 3.15Å; Y1358-Q1362 VanDerWaalsContact O-CG 3.31Å; Y1358-Q1362 WeakPolarHBondContact O-CG 3.29Å; Y1358-Q1362 PolarHBondContact O-N 3.05Å; Y1358-Q1362 PolarHBondContact OH-NE2 3.07Å; Y1358-Q1362 VanDerWaalsContact OH-NE2 3.07Å; Y1358-L1392 HydrophobicContact CE1-CD2 4.27Å; Y1358-L1392 HydrophobicContact CE1-CG 3.97Å; Y1358-L1392 HydrophobicContact CE2-CD2 4.09Å; Y1358-L1392 HydrophobicContact CE2-CG 4.28Å; Y1358-L1392 WeakPolarHBondContact OH-CD2 3.33Å; Y1358-L1392 VanDerWaalsContact OH-CG 3.24Å; Y1358-L1392 WeakPolarHBondContact OH-CG 3.39Å; Y1358-T1393 HydrophobicContact CE1-CG2 4.4Å; Y1358-T1393 WeakPolarHBondContact OH-CA 3.49Å; Y1358-T1393 WeakPolarHBondContact OH-CG2 3.38Å; Y1358-V1396 HydrophobicContact CD1-CG1 3.8Å; Y1358-V1396 HydrophobicContact CD1-CG2 4.14Å; Y1358-V1396 HydrophobicContact CD2-CB 4.06Å; Y1358-V1396 HydrophobicContact CD2-CG1 3.81Å; Y1358-V1396 HydrophobicContact CD2-CG2 3.75Å; Y1358-V1396 HydrophobicContact CE1-CB 4.37Å; Y1358-V1396 HydrophobicContact CE1-CG1 3.87Å; Y1358-V1396 HydrophobicContact CE1-CG2 4.08Å; Y1358-V1396 HydrophobicContact CE2-CB 3.73Å; Y1358-V1396 HydrophobicContact CE2-CG1 3.88Å; Y1358-V1396 HydrophobicContact CE2-CG2 3.65Å; Y1358-V1396 HydrophobicContact CG-CB 4.49Å; Y1358-V1396 HydrophobicContact CG-CG1 3.76Å; Y1358-V1396 HydrophobicContact CG-CG2 4.5Å
1359	I	61.7	Low	56.3	Low	94.2 Å²	94.2	79.8 Å²	79.8	48%	0.483	46%	0.458	S	S	.	.	H	α-helix	trans	-64.4	-41.5	176.3	-69.4	164.8	0	0	0	110.8	A1355 T1356 Q1362 L1363	A1355-I1359 WeakPolarHBondContact O-CB 3.33Å; A1355-I1359 WeakPolarHBondContact O-CD1 3.43Å; A1355-I1359 VanDerWaalsContact O-CG1 3.27Å; A1355-I1359 WeakPolarHBondContact O-CG1 3.29Å; A1355-I1359 PolarHBondContact O-N 3.03Å; T1356-I1359 PolarHBondContact O-N 2.96Å; I1359-Q1362 PolarHBondContact O-N 3.09Å; I1359-L1363 HydrophobicContact CG2-CD1 3.99Å; I1359-L1363 HydrophobicContact CG2-CG 4.49Å; I1359-L1363 WeakPolarHBondContact O-CB 3.4Å; I1359-L1363 WeakPolarHBondContact O-CD1 3.48Å; I1359-L1363 VanDerWaalsContact O-CG 3.29Å; I1359-L1363 WeakPolarHBondContact O-CG 3.39Å; I1359-L1363 PolarHBondContact O-N 3.19Å; I1359-L1363 VanDerWaalsContact O-N 3.1Å
1360	T	57.7	Low	55.9	Low	80.2 Å²	80.2	80.5 Å²	80.5	49%	0.492	46%	0.461	S	S	.	.	H	α-helix	trans	-68	-37.1	176.1	51.2	0	0	0	0	112.3	T1356 A1357 Y1358 L1363 A1364	T1356-T1360 WeakPolarHBondContact O-CB 3.33Å; T1356-T1360 WeakPolarHBondContact O-CG2 3.36Å; T1356-T1360 PolarHBondContact O-N 3.23Å; T1356-T1360 PolarHBondContact O-OG1 2.99Å; T1356-T1360 VanDerWaalsContact O-OG1 3.11Å; A1357-T1360 VanDerWaalsContact C-OG1 3.28Å; A1357-T1360 WeakPolarHBondContact CA-OG1 3.37Å; A1357-T1360 PolarHBondContact O-N 3.36Å; A1357-T1360 PolarHBondContact O-OG1 3.08Å; A1357-T1360 VanDerWaalsContact O-OG1 3.08Å; Y1358-T1360 VanDerWaalsContact C-N 3.3Å; Y1358-T1360 PolarHBondContact O-N 3.14Å; T1360-L1363 PolarHBondContact O-N 3.09Å; T1360-A1364 VanDerWaalsContact O-CB 3.28Å; T1360-A1364 WeakPolarHBondContact O-CB 3.4Å; T1360-A1364 PolarHBondContact O-N 3.07Å
1361	L	62.1	Low	55.6	Low	95.2 Å²	95.2	87.8 Å²	87.8	50%	0.498	48%	0.482	S	S	.	.	H	α-helix	trans	-64.1	-44.5	172.9	-174.9	66.3	0	0	0	112.1	A1357 Y1358 L1363 A1364 I1365	A1357-L1361 VanDerWaalsContact O-CB 3.26Å; A1357-L1361 WeakPolarHBondContact O-CB 3.37Å; A1357-L1361 PolarHBondContact O-N 2.93Å; Y1358-L1361 HydrophobicContact CD2-CD2 4.34Å; Y1358-L1361 HydrophobicContact CE2-CD2 4.43Å; Y1358-L1361 PolarHBondContact O-N 3.21Å; L1361-L1363 VanDerWaalsContact C-N 3.35Å; L1361-L1363 PolarHBondContact O-N 3.07Å; L1361-A1364 WeakPolarHBondContact O-CB 3.31Å; L1361-A1364 PolarHBondContact O-N 3.02Å; L1361-I1365 HydrophobicContact CD1-CD1 4.17Å; L1361-I1365 HydrophobicContact CD1-CG1 4.45Å; L1361-I1365 HydrophobicContact CD2-CD1 4.4Å; L1361-I1365 HydrophobicContact CG-CD1 3.96Å; L1361-I1365 WeakPolarHBondContact O-CB 3.3Å; L1361-I1365 VanDerWaalsContact O-CG1 3.29Å; L1361-I1365 WeakPolarHBondContact O-CG1 3.41Å; L1361-I1365 PolarHBondContact O-N 3.09Å
1362	Q	56.2	Low	55.2	Low	61.4 Å²	61.4	93.1 Å²	93.1	29%	0.287	50%	0.498	S	S	.	.	H	α-helix	trans	-59	-46.6	174.4	-78.7	-79.3	-4.8	0	0	111.7	Y1358 I1359 A1364 I1365 L1366 F1389	Y1358-Q1362 HydrophobicContact CD1-CG 4.22Å; Y1358-Q1362 HydrophobicContact CE1-CG 3.83Å; Y1358-Q1362 HydrophobicContact CE2-CG 4.37Å; Y1358-Q1362 WeakPolarHBondContact O-CB 3.15Å; Y1358-Q1362 VanDerWaalsContact O-CG 3.31Å; Y1358-Q1362 WeakPolarHBondContact O-CG 3.29Å; Y1358-Q1362 PolarHBondContact O-N 3.05Å; Y1358-Q1362 PolarHBondContact OH-NE2 3.07Å; Y1358-Q1362 VanDerWaalsContact OH-NE2 3.07Å; I1359-Q1362 PolarHBondContact O-N 3.09Å; Q1362-A1364 VanDerWaalsContact C-N 3.3Å; Q1362-A1364 PolarHBondContact O-N 3.17Å; Q1362-I1365 PolarHBondContact O-N 3.09Å; Q1362-L1366 VanDerWaalsContact O-CB 3.28Å; Q1362-L1366 WeakPolarHBondContact O-CB 3.37Å; Q1362-L1366 PolarHBondContact O-N 3.01Å; Q1362-F1389 VanDerWaalsContact NE2-CZ 3.27Å
1363	L	58.6	Low	54.5	Low	107.8 Å²	107.8	95.5 Å²	95.5	56%	0.564	51%	0.51	S	S	*	.	H	α-helix	trans	-65.7	-36.7	176.9	-72.2	168.7	0	0	0	112.6	I1359 T1360 L1361 I1365 G1367	I1359-L1363 HydrophobicContact CG2-CD1 3.99Å; I1359-L1363 HydrophobicContact CG2-CG 4.49Å; I1359-L1363 WeakPolarHBondContact O-CB 3.4Å; I1359-L1363 WeakPolarHBondContact O-CD1 3.48Å; I1359-L1363 VanDerWaalsContact O-CG 3.29Å; I1359-L1363 WeakPolarHBondContact O-CG 3.39Å; I1359-L1363 PolarHBondContact O-N 3.19Å; I1359-L1363 VanDerWaalsContact O-N 3.1Å; T1360-L1363 PolarHBondContact O-N 3.09Å; L1361-L1363 VanDerWaalsContact C-N 3.35Å; L1361-L1363 PolarHBondContact O-N 3.07Å; L1363-I1365 VanDerWaalsContact C-N 3.34Å; L1363-I1365 PolarHBondContact O-N 2.93Å; L1363-G1367 PolarHBondContact O-N 3.28Å
1364	A	59.3	Low	53.7	Low	62.2 Å²	62.2	103.4 Å²	103.4	51%	0.514	53%	0.53	S	S	.	.	H	α-helix	trans	-66.4	-41.4	175.2	0	0	0	0	0	112	T1360 L1361 Q1362 G1367 A1368	T1360-A1364 VanDerWaalsContact O-CB 3.28Å; T1360-A1364 WeakPolarHBondContact O-CB 3.4Å; T1360-A1364 PolarHBondContact O-N 3.07Å; L1361-A1364 WeakPolarHBondContact O-CB 3.31Å; L1361-A1364 PolarHBondContact O-N 3.02Å; Q1362-A1364 VanDerWaalsContact C-N 3.3Å; Q1362-A1364 PolarHBondContact O-N 3.17Å; A1364-G1367 CarbonylContact O-C 3.6Å; A1364-G1367 PolarHBondContact O-N 2.99Å; A1364-A1368 VanDerWaalsContact O-CB 3.32Å; A1364-A1368 WeakPolarHBondContact O-CB 3.37Å; A1364-A1368 PolarHBondContact O-N 2.95Å
1365	I	57.3	Low	52.7	Low	62.6 Å²	62.6	105.2 Å²	105.2	32%	0.321	54%	0.538	S	S	.	.	H	α-helix	trans	-68.5	-43.7	176.8	-69.3	168.9	0	0	0	110.6	L1361 Q1362 L1363 G1367 A1368 F1369 F1389	L1361-I1365 HydrophobicContact CD1-CD1 4.17Å; L1361-I1365 HydrophobicContact CD1-CG1 4.45Å; L1361-I1365 HydrophobicContact CD2-CD1 4.4Å; L1361-I1365 HydrophobicContact CG-CD1 3.96Å; L1361-I1365 WeakPolarHBondContact O-CB 3.3Å; L1361-I1365 VanDerWaalsContact O-CG1 3.29Å; L1361-I1365 WeakPolarHBondContact O-CG1 3.41Å; L1361-I1365 PolarHBondContact O-N 3.09Å; Q1362-I1365 PolarHBondContact O-N 3.09Å; L1363-I1365 VanDerWaalsContact C-N 3.34Å; L1363-I1365 PolarHBondContact O-N 2.93Å; I1365-G1367 VanDerWaalsContact C-N 3.3Å; I1365-G1367 PolarHBondContact O-N 3.08Å; I1365-A1368 CarbonylContact O-C 3.58Å; I1365-A1368 WeakPolarHBondContact O-CA 3.43Å; I1365-A1368 WeakPolarHBondContact O-CB 3.38Å; I1365-A1368 PolarHBondContact O-N 3.1Å; I1365-A1368 VanDerWaalsContact O-N 3.11Å; I1365-F1369 HydrophobicContact CG2-CD2 3.74Å; I1365-F1369 HydrophobicContact CG2-CE2 3.71Å; I1365-F1369 WeakPolarHBondContact O-CB 3.39Å; I1365-F1369 VanDerWaalsContact O-CD2 3.27Å; I1365-F1369 WeakPolarHBondContact O-CD2 3.33Å; I1365-F1369 PolarHBondContact O-N 3.14Å; I1365-F1389 HydrophobicContact CB-CE2 4.47Å; I1365-F1389 HydrophobicContact CB-CZ 4.22Å; I1365-F1389 HydrophobicContact CD1-CE2 3.61Å; I1365-F1389 HydrophobicContact CD1-CZ 4.03Å; I1365-F1389 HydrophobicContact CG2-CE2 3.9Å; I1365-F1389 HydrophobicContact CG2-CZ 3.81Å
1366	L	53.9	Low	51.5	Low	118 Å²	118	110.9 Å²	110.9	62%	0.618	56%	0.563	S	S	*	*	H	α-helix	trans	-62.5	-38.9	174.7	-152.6	72.6	0	0	0	111.5	Q1362 A1368 F1369 K1370	Q1362-L1366 VanDerWaalsContact O-CB 3.28Å; Q1362-L1366 WeakPolarHBondContact O-CB 3.37Å; Q1362-L1366 PolarHBondContact O-N 3.01Å; L1366-A1368 VanDerWaalsContact C-N 3.35Å; L1366-F1369 PolarHBondContact O-N 3.05Å; L1366-K1370 VanDerWaalsContact O-CB 3.28Å; L1366-K1370 WeakPolarHBondContact O-CB 3.19Å; L1366-K1370 PolarHBondContact O-N 3.2Å; L1366-K1370 VanDerWaalsContact O-N 3.16Å
1367	G	53.2	Low	50.5	Low	41.4 Å²	41.4	114 Å²	114	43%	0.427	58%	0.575	S	S	.	*	H	α-helix	trans	-64.3	-37.3	172.4	0	0	0	0	0	113.3	L1363 A1364 I1365 K1370 R1371	L1363-G1367 PolarHBondContact O-N 3.28Å; A1364-G1367 CarbonylContact O-C 3.6Å; A1364-G1367 PolarHBondContact O-N 2.99Å; I1365-G1367 VanDerWaalsContact C-N 3.3Å; I1365-G1367 PolarHBondContact O-N 3.08Å; G1367-K1370 PolarHBondContact O-N 3.41Å; G1367-R1371 WeakPolarHBondContact O-CB 3.35Å; G1367-R1371 PolarHBondContact O-N 3Å
1368	A	53.6	Low	49.4	Very low	45.6 Å²	45.6	119 Å²	119	38%	0.377	59%	0.594	S	S	.	*	H	α-helix	trans	-67.7	-47.8	174.5	0	0	0	0	0	111.6	A1364 I1365 L1366 K1370 R1371 F1372	A1364-A1368 VanDerWaalsContact O-CB 3.32Å; A1364-A1368 WeakPolarHBondContact O-CB 3.37Å; A1364-A1368 PolarHBondContact O-N 2.95Å; I1365-A1368 CarbonylContact O-C 3.58Å; I1365-A1368 WeakPolarHBondContact O-CA 3.43Å; I1365-A1368 WeakPolarHBondContact O-CB 3.38Å; I1365-A1368 PolarHBondContact O-N 3.1Å; I1365-A1368 VanDerWaalsContact O-N 3.11Å; L1366-A1368 VanDerWaalsContact C-N 3.35Å; A1368-K1370 VanDerWaalsContact C-N 3.3Å; A1368-K1370 PolarHBondContact O-N 3.03Å; A1368-R1371 CarbonylContact O-C 3.58Å; A1368-R1371 WeakPolarHBondContact O-CA 3.33Å; A1368-R1371 VanDerWaalsContact O-CB 3.3Å; A1368-R1371 WeakPolarHBondContact O-CB 3.4Å; A1368-R1371 PolarHBondContact O-N 2.93Å; A1368-F1372 WeakPolarHBondContact O-CD2 3.37Å; A1368-F1372 PolarHBondContact O-N 3.19Å
1369	F	48.8	Very low	48.2	Very low	139.6 Å²	139.6	121.2 Å²	121.2	61%	0.612	62%	0.619	S	S	*	*	H	α-helix	trans	-59.3	-40.2	175.8	-86.3	-72.4	0	0	0	112.2	I1365 L1366 R1371 F1372 T1373	I1365-F1369 HydrophobicContact CG2-CD2 3.74Å; I1365-F1369 HydrophobicContact CG2-CE2 3.71Å; I1365-F1369 WeakPolarHBondContact O-CB 3.39Å; I1365-F1369 VanDerWaalsContact O-CD2 3.27Å; I1365-F1369 WeakPolarHBondContact O-CD2 3.33Å; I1365-F1369 PolarHBondContact O-N 3.14Å; L1366-F1369 PolarHBondContact O-N 3.05Å; F1369-R1371 PolarHBondContact O-N 3.19Å; F1369-R1371 VanDerWaalsContact O-N 3.14Å; F1369-F1372 PolarHBondContact O-N 3.24Å; F1369-F1372 VanDerWaalsContact O-N 3.09Å; F1369-T1373 WeakPolarHBondContact O-CG2 3.4Å; F1369-T1373 PolarHBondContact O-N 2.84Å; F1369-T1373 PolarHBondContact O-OG1 2.96Å
1370	K	42.9	Very low	46.9	Very low	163.4 Å²	163.4	121.4 Å²	121.4	71%	0.71	63%	0.628	S	S	*	*	H	α-helix	trans	-65	-18.9	175.1	-156.9	174.6	-175.5	-179.4	0	113.3	L1366 G1367 A1368 T1373	L1366-K1370 VanDerWaalsContact O-CB 3.28Å; L1366-K1370 WeakPolarHBondContact O-CB 3.19Å; L1366-K1370 PolarHBondContact O-N 3.2Å; L1366-K1370 VanDerWaalsContact O-N 3.16Å; G1367-K1370 PolarHBondContact O-N 3.41Å; A1368-K1370 VanDerWaalsContact C-N 3.3Å; A1368-K1370 PolarHBondContact O-N 3.03Å; K1370-T1373 WeakPolarHBondContact O-CG2 3.26Å; K1370-T1373 PolarHBondContact O-OG1 3.11Å; K1370-T1373 VanDerWaalsContact O-OG1 3.05Å
1371	R	46.6	Very low	46	Very low	208.8 Å²	208.8	123.6 Å²	123.6	79%	0.788	64%	0.641	S	S	*	*	H	α-helix	trans	-90.1	-18.5	176.3	-147.1	171	-172.6	171	1	113.5	G1367 A1368 F1369	G1367-R1371 WeakPolarHBondContact O-CB 3.35Å; G1367-R1371 PolarHBondContact O-N 3Å; A1368-R1371 CarbonylContact O-C 3.58Å; A1368-R1371 WeakPolarHBondContact O-CA 3.33Å; A1368-R1371 VanDerWaalsContact O-CB 3.3Å; A1368-R1371 WeakPolarHBondContact O-CB 3.4Å; A1368-R1371 PolarHBondContact O-N 2.93Å; F1369-R1371 PolarHBondContact O-N 3.19Å; F1369-R1371 VanDerWaalsContact O-N 3.14Å
1372	F	45.8	Very low	45.3	Very low	154.2 Å²	154.2	121.5 Å²	121.5	68%	0.676	64%	0.635	S	S	*	*			trans	-97.8	13.5	179.2	-83.9	-77.9	0	0	0	114.1	A1368 F1369 R1374 F1375	A1368-F1372 WeakPolarHBondContact O-CD2 3.37Å; A1368-F1372 PolarHBondContact O-N 3.19Å; F1369-F1372 PolarHBondContact O-N 3.24Å; F1369-F1372 VanDerWaalsContact O-N 3.09Å; F1372-R1374 PolarHBondContact O-N 3.16Å; F1372-F1375 PolarHBondContact O-N 3.05Å; F1372-F1375 VanDerWaalsContact O-N 3.15Å
1373	T	40.2	Very low	45	Very low	115.2 Å²	115.2	123 Å²	123	71%	0.707	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	16.1	-179.8	45.3	0	0	0	0	115.9	F1369 K1370	F1369-T1373 WeakPolarHBondContact O-CG2 3.4Å; F1369-T1373 PolarHBondContact O-N 2.84Å; F1369-T1373 PolarHBondContact O-OG1 2.96Å; K1370-T1373 WeakPolarHBondContact O-CG2 3.26Å; K1370-T1373 PolarHBondContact O-OG1 3.11Å; K1370-T1373 VanDerWaalsContact O-OG1 3.05Å
1374	R	39.1	Very low	44.5	Very low	228.8 Å²	228.8	122 Å²	122	86%	0.863	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.4	1.6	177.5	-78.9	-172	173.5	-177.9	-1.9	115.4	F1372	F1372-R1374 PolarHBondContact O-N 3.16Å
1375	F	37	Very low	44.1	Very low	181.6 Å²	181.6	123.4 Å²	123.4	80%	0.796	65%	0.646	S	S	*	*	S	Bend	trans	-107.1	124.2	172.4	-88.7	-87.1	0	0	0	111.8	F1372 L1377	F1372-F1375 PolarHBondContact O-N 3.05Å; F1372-F1375 VanDerWaalsContact O-N 3.15Å; F1375-L1377 PolarHBondContact O-N 3.16Å; F1375-L1377 VanDerWaalsContact O-N 3.09Å
1376	N	33	Very low	43.7	Very low	159.6 Å²	159.6	124.2 Å²	124.2	85%	0.853	66%	0.656	S	S	*	*			trans	-65.1	108.2	-176.9	-108.8	-10.8	0	0	0	112	L1378	N1376-L1378 VanDerWaalsContact C-N 3.31Å; N1376-L1378 PolarHBondContact O-N 3.16Å
1377	L	35.3	Very low	43.8	Very low	145.2 Å²	145.2	121 Å²	121	76%	0.76	65%	0.647	S	S	*	*			trans	-94.1	75.3	-178.8	-153.7	79.3	0	0	0	112.6	F1375 C1379 C1380 T1381	F1375-L1377 PolarHBondContact O-N 3.16Å; F1375-L1377 VanDerWaalsContact O-N 3.09Å; L1377-C1379 PolarHBondContact O-N 2.87Å; L1377-C1380 HydrophobicContact CD2-CB 4.14Å; L1377-T1381 HydrophobicContact CD1-CG2 4.09Å; L1377-T1381 HydrophobicContact CG-CG2 4.47Å
1378	L	35.1	Very low	43.9	Very low	158.4 Å²	158.4	123.9 Å²	123.9	83%	0.829	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	8.4	179.5	-132.8	72.2	0	0	0	114.4	N1376	N1376-L1378 VanDerWaalsContact C-N 3.31Å; N1376-L1378 PolarHBondContact O-N 3.16Å
1379	C	34.4	Very low	43.9	Very low	121 Å²	121	126.4 Å²	126.4	82%	0.818	66%	0.655	S	S	*	*	S	Bend	trans	-135.9	-5.5	178.8	-98.3	0	0	0	0	115.8	L1377	L1377-C1379 PolarHBondContact O-N 2.87Å
1380	C	35.5	Very low	44.3	Very low	99 Å²	99	124.2 Å²	124.2	67%	0.669	65%	0.649	S	S	*	*			trans	-116	36.6	-171.8	-65.1	0	0	0	0	114.5	L1377 S1382	L1377-C1380 HydrophobicContact CD2-CB 4.14Å; C1380-S1382 PolarHBondContact O-N 3.33Å; C1380-S1382 VanDerWaalsContact O-N 3.15Å
1381	T	38.6	Very low	45.1	Very low	125.6 Å²	125.6	124.7 Å²	124.7	77%	0.771	65%	0.646	S	S	*	*			trans	-102.6	46.1	176.6	49.2	0	0	0	0	112.8	L1377 P1383	L1377-T1381 HydrophobicContact CD1-CG2 4.09Å; L1377-T1381 HydrophobicContact CG-CG2 4.47Å; T1381-P1383 WeakPolarHBondContact O-CD 3.33Å
1382	S	47.9	Very low	45.7	Very low	52.6 Å²	52.6	117.9 Å²	117.9	37%	0.368	63%	0.625	S	S	.	*			trans	-75.4	124.3	170.7	108.7	0	0	0	0	110.1	C1380 T1384 I1385	C1380-S1382 PolarHBondContact O-N 3.33Å; C1380-S1382 VanDerWaalsContact O-N 3.15Å; S1382-T1384 WeakPolarHBondContact CB-OG1 3.34Å; S1382-T1384 PolarHBondContact O-N 3.13Å; S1382-T1384 VanDerWaalsContact O-N 3.11Å; S1382-T1384 PolarHBondContact OG-N 3.12Å; S1382-T1384 PolarHBondContact OG-OG1 3.15Å; S1382-I1385 PolarHBondContact O-N 3.2Å; S1382-I1385 VanDerWaalsContact O-N 3.09Å; S1382-I1385 WeakPolarHBondContact OG-CD1 3.26Å; S1382-I1385 WeakPolarHBondContact OG-CG1 3.25Å
1383	P	48.5	Very low	46.2	Very low	91.4 Å²	91.4	113.4 Å²	113.4	59%	0.594	61%	0.61	S	S	*	*	H	α-helix	trans	-62.6	-18.9	177	25.3	-33.7	0	0	0	112.6	T1381 I1385 C1386 A1387	T1381-P1383 WeakPolarHBondContact O-CD 3.33Å; P1383-I1385 VanDerWaalsContact C-N 3.29Å; P1383-I1385 PolarHBondContact O-N 3.25Å; P1383-C1386 PolarHBondContact O-N 3.06Å; P1383-A1387 VanDerWaalsContact O-CB 3.3Å; P1383-A1387 WeakPolarHBondContact O-CB 3.29Å; P1383-A1387 PolarHBondContact O-N 3.06Å
1384	T	47.7	Very low	47.1	Very low	88.4 Å²	88.4	111.7 Å²	111.7	54%	0.542	60%	0.6	S	S	.	*	H	α-helix	trans	-60.6	-38	176.8	56.1	0	0	0	0	113.1	S1382 C1386 A1387 L1388	S1382-T1384 WeakPolarHBondContact CB-OG1 3.34Å; S1382-T1384 PolarHBondContact O-N 3.13Å; S1382-T1384 VanDerWaalsContact O-N 3.11Å; S1382-T1384 PolarHBondContact OG-N 3.12Å; S1382-T1384 PolarHBondContact OG-OG1 3.15Å; T1384-C1386 VanDerWaalsContact C-N 3.35Å; T1384-A1387 PolarHBondContact O-N 3.18Å; T1384-L1388 WeakPolarHBondContact O-CB 3.36Å; T1384-L1388 PolarHBondContact O-N 3.2Å
1385	I	52.3	Low	48	Very low	92 Å²	92	103.8 Å²	103.8	47%	0.472	57%	0.574	S	S	.	*	H	α-helix	trans	-70.7	-41	179.9	-63.7	173.4	0	0	0	110.4	S1382 P1383 A1387 L1388 F1389	S1382-I1385 PolarHBondContact O-N 3.2Å; S1382-I1385 VanDerWaalsContact O-N 3.09Å; S1382-I1385 WeakPolarHBondContact OG-CD1 3.26Å; S1382-I1385 WeakPolarHBondContact OG-CG1 3.25Å; P1383-I1385 VanDerWaalsContact C-N 3.29Å; P1383-I1385 PolarHBondContact O-N 3.25Å; I1385-A1387 VanDerWaalsContact C-N 3.35Å; I1385-L1388 WeakPolarHBondContact O-CB 3.44Å; I1385-L1388 PolarHBondContact O-N 3.27Å; I1385-F1389 HydrophobicContact CG2-CD2 4.11Å; I1385-F1389 HydrophobicContact CG2-CE2 3.96Å; I1385-F1389 WeakPolarHBondContact O-CD2 3.3Å; I1385-F1389 PolarHBondContact O-N 3.13Å
1386	C	49.1	Very low	49	Very low	77.6 Å²	77.6	97.8 Å²	97.8	52%	0.524	55%	0.552	S	S	.	*	H	α-helix	trans	-67.2	-40.6	177.2	-162.4	0	0	0	0	111.5	P1383 T1384 L1388 F1389 L1390	P1383-C1386 PolarHBondContact O-N 3.06Å; T1384-C1386 VanDerWaalsContact C-N 3.35Å; C1386-L1388 VanDerWaalsContact C-N 3.33Å; C1386-L1388 PolarHBondContact O-N 3.33Å; C1386-F1389 WeakPolarHBondContact O-CB 3.32Å; C1386-F1389 PolarHBondContact O-N 3.07Å; C1386-L1390 PolarHBondContact O-N 3.1Å; C1386-L1390 VanDerWaalsContact O-N 3.1Å
1387	A	54.3	Low	50.1	Low	52.4 Å²	52.4	92.4 Å²	92.4	43%	0.433	53%	0.529	S	S	.	.	H	α-helix	trans	-62.4	-41.5	172.9	0	0	0	0	0	112.3	P1383 T1384 I1385 F1389 L1390 W1391	P1383-A1387 VanDerWaalsContact O-CB 3.3Å; P1383-A1387 WeakPolarHBondContact O-CB 3.29Å; P1383-A1387 PolarHBondContact O-N 3.06Å; T1384-A1387 PolarHBondContact O-N 3.18Å; I1385-A1387 VanDerWaalsContact C-N 3.35Å; A1387-F1389 VanDerWaalsContact C-N 3.3Å; A1387-F1389 PolarHBondContact O-N 2.98Å; A1387-L1390 PolarHBondContact O-N 2.97Å; A1387-W1391 WeakPolarHBondContact O-CB 3.34Å; A1387-W1391 PolarHBondContact O-N 3.14Å
1388	L	55.7	Low	51	Low	100.6 Å²	100.6	89 Å²	89	53%	0.527	52%	0.515	S	S	.	.	H	α-helix	trans	-63.2	-42.1	175.9	-127.9	160.8	0	0	0	111.6	Y1321 T1384 I1385 C1386 W1391 L1392	Y1321-L1388 HydrophobicContact CE2-CD1 4.19Å; T1384-L1388 WeakPolarHBondContact O-CB 3.36Å; T1384-L1388 PolarHBondContact O-N 3.2Å; I1385-L1388 WeakPolarHBondContact O-CB 3.44Å; I1385-L1388 PolarHBondContact O-N 3.27Å; C1386-L1388 VanDerWaalsContact C-N 3.33Å; C1386-L1388 PolarHBondContact O-N 3.33Å; L1388-W1391 PolarHBondContact O-N 3.29Å; L1388-L1392 HydrophobicContact CD2-CD2 4.38Å; L1388-L1392 WeakPolarHBondContact O-CB 3.24Å; L1388-L1392 PolarHBondContact O-N 3.24Å; L1388-L1392 VanDerWaalsContact O-N 3.1Å
1389	F	53.5	Low	52	Low	99.8 Å²	99.8	84.3 Å²	84.3	44%	0.438	49%	0.492	S	S	.	.	H	α-helix	trans	-63.2	-43.3	174.8	-109.5	-87.7	0	0	0	112.3	Q1362 I1365 I1385 C1386 A1387 W1391 L1392 T1393	Q1362-F1389 VanDerWaalsContact NE2-CZ 3.27Å; I1365-F1389 HydrophobicContact CB-CE2 4.47Å; I1365-F1389 HydrophobicContact CB-CZ 4.22Å; I1365-F1389 HydrophobicContact CD1-CE2 3.61Å; I1365-F1389 HydrophobicContact CD1-CZ 4.03Å; I1365-F1389 HydrophobicContact CG2-CE2 3.9Å; I1365-F1389 HydrophobicContact CG2-CZ 3.81Å; I1385-F1389 HydrophobicContact CG2-CD2 4.11Å; I1385-F1389 HydrophobicContact CG2-CE2 3.96Å; I1385-F1389 WeakPolarHBondContact O-CD2 3.3Å; I1385-F1389 PolarHBondContact O-N 3.13Å; C1386-F1389 WeakPolarHBondContact O-CB 3.32Å; C1386-F1389 PolarHBondContact O-N 3.07Å; A1387-F1389 VanDerWaalsContact C-N 3.3Å; A1387-F1389 PolarHBondContact O-N 2.98Å; F1389-W1391 VanDerWaalsContact C-N 3.33Å; F1389-W1391 PolarHBondContact O-N 3.23Å; F1389-L1392 PolarHBondContact O-N 3.19Å; F1389-T1393 HydrophobicContact CD1-CG2 4.25Å; F1389-T1393 HydrophobicContact CE1-CG2 4.4Å; F1389-T1393 VanDerWaalsContact O-CG2 3.32Å; F1389-T1393 WeakPolarHBondContact O-CG2 3.4Å; F1389-T1393 PolarHBondContact O-N 3.23Å; F1389-T1393 PolarHBondContact O-OG1 2.93Å
1390	L	56.9	Low	52.9	Low	91.8 Å²	91.8	81.4 Å²	81.4	48%	0.481	47%	0.471	S	S	.	.	H	α-helix	trans	-62.5	-42.8	174.9	-81.4	165.8	0	0	0	112.1	C1386 A1387 L1392 T1393 V1394 I1521	C1386-L1390 PolarHBondContact O-N 3.1Å; C1386-L1390 VanDerWaalsContact O-N 3.1Å; A1387-L1390 PolarHBondContact O-N 2.97Å; L1390-L1392 VanDerWaalsContact C-N 3.3Å; L1390-L1392 PolarHBondContact O-N 3.07Å; L1390-T1393 WeakPolarHBondContact CA-OG1 3.25Å; L1390-T1393 PolarHBondContact O-N 3.15Å; L1390-T1393 VanDerWaalsContact O-N 3.15Å; L1390-T1393 PolarHBondContact O-OG1 3.24Å; L1390-T1393 VanDerWaalsContact O-OG1 3.1Å; L1390-V1394 VanDerWaalsContact O-CG2 3.3Å; L1390-V1394 WeakPolarHBondContact O-CG2 3.38Å; L1390-V1394 PolarHBondContact O-N 3.27Å; L1390-I1521 HydrophobicContact CD1-CG2 4.24Å
1391	W	60.9	Low	53.7	Low	174 Å²	174	80.1 Å²	80.1	66%	0.659	46%	0.46	S	S	*	.	H	α-helix	trans	-63.4	-40.2	176.2	-137	68.5	0	0	0	111.8	A1387 L1388 F1389 T1393 V1394 I1395	A1387-W1391 WeakPolarHBondContact O-CB 3.34Å; A1387-W1391 PolarHBondContact O-N 3.14Å; L1388-W1391 PolarHBondContact O-N 3.29Å; F1389-W1391 VanDerWaalsContact C-N 3.33Å; F1389-W1391 PolarHBondContact O-N 3.23Å; W1391-T1393 VanDerWaalsContact C-N 3.34Å; W1391-T1393 PolarHBondContact O-N 3.47Å; W1391-V1394 PolarHBondContact O-N 3.16Å; W1391-I1395 HydrophobicContact CD2-CD1 4.01Å; W1391-I1395 HydrophobicContact CE3-CD1 3.71Å; W1391-I1395 VanDerWaalsContact CE3-CD1 3.47Å; W1391-I1395 HydrophobicContact CE3-CG1 4.41Å; W1391-I1395 HydrophobicContact CH2-CD1 3.85Å; W1391-I1395 HydrophobicContact CZ2-CD1 3.75Å; W1391-I1395 HydrophobicContact CZ3-CD1 3.66Å; W1391-I1395 VanDerWaalsContact CZ3-CD1 3.48Å; W1391-I1395 WeakPolarHBondContact O-CG1 3.31Å; W1391-I1395 PolarHBondContact O-N 3.01Å; W1391-I1395 VanDerWaalsContact O-N 3.16Å
1392	L	58.4	Low	54.4	Low	67.6 Å²	67.6	77.3 Å²	77.3	35%	0.354	45%	0.446	S	S	.	.	H	α-helix	trans	-67.4	-38.4	177.6	-152.9	76.3	0	0	0	112.1	Y1358 L1388 F1389 L1390 V1394 I1395 V1396	Y1358-L1392 HydrophobicContact CE1-CD2 4.27Å; Y1358-L1392 HydrophobicContact CE1-CG 3.97Å; Y1358-L1392 HydrophobicContact CE2-CD2 4.09Å; Y1358-L1392 HydrophobicContact CE2-CG 4.28Å; Y1358-L1392 WeakPolarHBondContact OH-CD2 3.33Å; Y1358-L1392 VanDerWaalsContact OH-CG 3.24Å; Y1358-L1392 WeakPolarHBondContact OH-CG 3.39Å; L1388-L1392 HydrophobicContact CD2-CD2 4.38Å; L1388-L1392 WeakPolarHBondContact O-CB 3.24Å; L1388-L1392 PolarHBondContact O-N 3.24Å; L1388-L1392 VanDerWaalsContact O-N 3.1Å; F1389-L1392 PolarHBondContact O-N 3.19Å; L1390-L1392 VanDerWaalsContact C-N 3.3Å; L1390-L1392 PolarHBondContact O-N 3.07Å; L1392-V1394 VanDerWaalsContact C-N 3.33Å; L1392-V1394 PolarHBondContact O-N 2.86Å; L1392-I1395 HydrophobicContact CD1-CD1 4.39Å; L1392-I1395 PolarHBondContact O-N 3.1Å; L1392-V1396 WeakPolarHBondContact O-CB 3.4Å; L1392-V1396 VanDerWaalsContact O-CG2 3.31Å; L1392-V1396 WeakPolarHBondContact O-CG2 3.23Å; L1392-V1396 PolarHBondContact O-N 2.95Å; L1392-V1396 VanDerWaalsContact O-N 3.13Å
1393	T	55.9	Low	54.6	Low	58.2 Å²	58.2	78.7 Å²	78.7	36%	0.357	45%	0.449	S	S	.	.	H	α-helix	trans	-66.6	-36.9	174.4	56.6	0	0	0	0	112.5	Y1358 F1389 L1390 W1391 V1396 A1397	Y1358-T1393 HydrophobicContact CE1-CG2 4.4Å; Y1358-T1393 WeakPolarHBondContact OH-CA 3.49Å; Y1358-T1393 WeakPolarHBondContact OH-CG2 3.38Å; F1389-T1393 HydrophobicContact CD1-CG2 4.25Å; F1389-T1393 HydrophobicContact CE1-CG2 4.4Å; F1389-T1393 VanDerWaalsContact O-CG2 3.32Å; F1389-T1393 WeakPolarHBondContact O-CG2 3.4Å; F1389-T1393 PolarHBondContact O-N 3.23Å; F1389-T1393 PolarHBondContact O-OG1 2.93Å; L1390-T1393 WeakPolarHBondContact CA-OG1 3.25Å; L1390-T1393 PolarHBondContact O-N 3.15Å; L1390-T1393 VanDerWaalsContact O-N 3.15Å; L1390-T1393 PolarHBondContact O-OG1 3.24Å; L1390-T1393 VanDerWaalsContact O-OG1 3.1Å; W1391-T1393 VanDerWaalsContact C-N 3.34Å; W1391-T1393 PolarHBondContact O-N 3.47Å; T1393-V1396 PolarHBondContact O-N 3.07Å; T1393-A1397 VanDerWaalsContact O-CB 3.28Å; T1393-A1397 WeakPolarHBondContact O-CB 3.29Å; T1393-A1397 PolarHBondContact O-N 3.17Å
1394	V	59.8	Low	54.6	Low	79.6 Å²	79.6	77.8 Å²	77.8	48%	0.482	44%	0.439	S	S	.	.	H	α-helix	trans	-65.5	-42.4	173.9	172	0	0	0	0	111	L1390 W1391 L1392 V1396 A1397 T1398	L1390-V1394 VanDerWaalsContact O-CG2 3.3Å; L1390-V1394 WeakPolarHBondContact O-CG2 3.38Å; L1390-V1394 PolarHBondContact O-N 3.27Å; W1391-V1394 PolarHBondContact O-N 3.16Å; L1392-V1394 VanDerWaalsContact C-N 3.33Å; L1392-V1394 PolarHBondContact O-N 2.86Å; V1394-V1396 PolarHBondContact O-N 3.33Å; V1394-A1397 PolarHBondContact O-N 2.97Å; V1394-T1398 HydrophobicContact CG1-CG2 4.39Å; V1394-T1398 WeakPolarHBondContact O-CB 3.38Å; V1394-T1398 WeakPolarHBondContact O-CG2 3.34Å; V1394-T1398 PolarHBondContact O-N 2.97Å; V1394-T1398 PolarHBondContact O-OG1 3.2Å
1395	I	58.8	Low	54.7	Low	64.4 Å²	64.4	79 Å²	79	33%	0.33	44%	0.44	S	S	.	.	H	α-helix	trans	-61.2	-50	174.9	-70.4	167.9	0	0	0	110.6	W1391 L1392 A1397 T1398 V1399	W1391-I1395 HydrophobicContact CD2-CD1 4.01Å; W1391-I1395 HydrophobicContact CE3-CD1 3.71Å; W1391-I1395 VanDerWaalsContact CE3-CD1 3.47Å; W1391-I1395 HydrophobicContact CE3-CG1 4.41Å; W1391-I1395 HydrophobicContact CH2-CD1 3.85Å; W1391-I1395 HydrophobicContact CZ2-CD1 3.75Å; W1391-I1395 HydrophobicContact CZ3-CD1 3.66Å; W1391-I1395 VanDerWaalsContact CZ3-CD1 3.48Å; W1391-I1395 WeakPolarHBondContact O-CG1 3.31Å; W1391-I1395 PolarHBondContact O-N 3.01Å; W1391-I1395 VanDerWaalsContact O-N 3.16Å; L1392-I1395 HydrophobicContact CD1-CD1 4.39Å; L1392-I1395 PolarHBondContact O-N 3.1Å; I1395-A1397 VanDerWaalsContact C-N 3.31Å; I1395-A1397 PolarHBondContact O-N 3.1Å; I1395-T1398 WeakPolarHBondContact CA-OG1 3.34Å; I1395-T1398 CarbonylContact O-C 3.6Å; I1395-T1398 PolarHBondContact O-N 3.07Å; I1395-T1398 VanDerWaalsContact O-N 3.1Å; I1395-T1398 PolarHBondContact O-OG1 2.99Å; I1395-T1398 VanDerWaalsContact O-OG1 3.06Å; I1395-V1399 HydrophobicContact CG2-CG2 4.24Å; I1395-V1399 VanDerWaalsContact O-CB 3.31Å; I1395-V1399 WeakPolarHBondContact O-CB 3.3Å; I1395-V1399 VanDerWaalsContact O-CG2 3.28Å; I1395-V1399 WeakPolarHBondContact O-CG2 3.3Å; I1395-V1399 PolarHBondContact O-N 3.32Å
1396	V	57.8	Low	54.5	Low	55 Å²	55	82.3 Å²	82.3	33%	0.333	45%	0.451	S	S	.	.	H	α-helix	trans	-62.2	-39.4	179.4	173.4	0	0	0	0	111.4	Y1358 L1392 T1393 V1394 T1398 V1399 T1400	Y1358-V1396 HydrophobicContact CD1-CG1 3.8Å; Y1358-V1396 HydrophobicContact CD1-CG2 4.14Å; Y1358-V1396 HydrophobicContact CD2-CB 4.06Å; Y1358-V1396 HydrophobicContact CD2-CG1 3.81Å; Y1358-V1396 HydrophobicContact CD2-CG2 3.75Å; Y1358-V1396 HydrophobicContact CE1-CB 4.37Å; Y1358-V1396 HydrophobicContact CE1-CG1 3.87Å; Y1358-V1396 HydrophobicContact CE1-CG2 4.08Å; Y1358-V1396 HydrophobicContact CE2-CB 3.73Å; Y1358-V1396 HydrophobicContact CE2-CG1 3.88Å; Y1358-V1396 HydrophobicContact CE2-CG2 3.65Å; Y1358-V1396 HydrophobicContact CG-CB 4.49Å; Y1358-V1396 HydrophobicContact CG-CG1 3.76Å; Y1358-V1396 HydrophobicContact CG-CG2 4.5Å; L1392-V1396 WeakPolarHBondContact O-CB 3.4Å; L1392-V1396 VanDerWaalsContact O-CG2 3.31Å; L1392-V1396 WeakPolarHBondContact O-CG2 3.23Å; L1392-V1396 PolarHBondContact O-N 2.95Å; L1392-V1396 VanDerWaalsContact O-N 3.13Å; T1393-V1396 PolarHBondContact O-N 3.07Å; V1394-V1396 PolarHBondContact O-N 3.33Å; V1396-T1398 PolarHBondContact O-N 3.47Å; V1396-V1399 PolarHBondContact O-N 2.75Å; V1396-T1400 HydrophobicContact CG1-CG2 4.32Å; V1396-T1400 WeakPolarHBondContact O-CB 3.32Å; V1396-T1400 WeakPolarHBondContact O-CG2 3.29Å; V1396-T1400 PolarHBondContact O-N 3.17Å; V1396-T1400 PolarHBondContact O-OG1 3.07Å; V1396-T1400 VanDerWaalsContact O-OG1 3.09Å
1397	A	54.8	Low	54.3	Low	44.8 Å²	44.8	83.9 Å²	83.9	37%	0.37	45%	0.454	S	S	.	.	H	α-helix	trans	-65.2	-42.6	175.6	0	0	0	0	0	112.7	T1393 V1394 I1395 T1400 T1401 M1528	T1393-A1397 VanDerWaalsContact O-CB 3.28Å; T1393-A1397 WeakPolarHBondContact O-CB 3.29Å; T1393-A1397 PolarHBondContact O-N 3.17Å; V1394-A1397 PolarHBondContact O-N 2.97Å; I1395-A1397 VanDerWaalsContact C-N 3.31Å; I1395-A1397 PolarHBondContact O-N 3.1Å; A1397-T1400 WeakPolarHBondContact CA-OG1 3.46Å; A1397-T1400 PolarHBondContact O-N 3Å; A1397-T1400 PolarHBondContact O-OG1 3.12Å; A1397-T1401 WeakPolarHBondContact O-CB 3.42Å; A1397-T1401 VanDerWaalsContact O-CG2 3.28Å; A1397-T1401 WeakPolarHBondContact O-CG2 3.39Å; A1397-T1401 PolarHBondContact O-N 3.01Å; A1397-T1401 PolarHBondContact O-OG1 3.15Å; A1397-M1528 HydrophobicContact CB-CE 3.98Å; A1397-M1528 HydrophobicContact CB-SD 4.39Å
1398	T	54.7	Low	53.7	Low	75.2 Å²	75.2	86.1 Å²	86.1	46%	0.461	47%	0.465	S	S	.	.	H	α-helix	trans	-68.9	-36.8	176.9	51.6	0	0	0	0	112.6	V1394 I1395 V1396 T1401 S1402	V1394-T1398 HydrophobicContact CG1-CG2 4.39Å; V1394-T1398 WeakPolarHBondContact O-CB 3.38Å; V1394-T1398 WeakPolarHBondContact O-CG2 3.34Å; V1394-T1398 PolarHBondContact O-N 2.97Å; V1394-T1398 PolarHBondContact O-OG1 3.2Å; I1395-T1398 WeakPolarHBondContact CA-OG1 3.34Å; I1395-T1398 CarbonylContact O-C 3.6Å; I1395-T1398 PolarHBondContact O-N 3.07Å; I1395-T1398 VanDerWaalsContact O-N 3.1Å; I1395-T1398 PolarHBondContact O-OG1 2.99Å; I1395-T1398 VanDerWaalsContact O-OG1 3.06Å; V1396-T1398 PolarHBondContact O-N 3.47Å; T1398-T1401 WeakPolarHBondContact CA-OG1 3.38Å; T1398-T1401 PolarHBondContact O-OG1 3.17Å; T1398-S1402 VanDerWaalsContact O-CB 3.3Å; T1398-S1402 WeakPolarHBondContact O-CB 3.36Å; T1398-S1402 PolarHBondContact O-N 3.12Å; T1398-S1402 PolarHBondContact O-OG 3.06Å
1399	V	56.8	Low	52.8	Low	58.4 Å²	58.4	84.4 Å²	84.4	35%	0.354	46%	0.461	S	S	.	.	H	α-helix	trans	-69.6	-43	175.2	172.4	0	0	0	0	111.3	F1336 I1395 V1396 T1401 S1402 L1403	F1336-V1399 HydrophobicContact CE2-CG1 4.32Å; F1336-V1399 HydrophobicContact CE2-CG2 3.83Å; F1336-V1399 HydrophobicContact CZ-CG1 4.05Å; F1336-V1399 HydrophobicContact CZ-CG2 3.79Å; I1395-V1399 HydrophobicContact CG2-CG2 4.24Å; I1395-V1399 VanDerWaalsContact O-CB 3.31Å; I1395-V1399 WeakPolarHBondContact O-CB 3.3Å; I1395-V1399 VanDerWaalsContact O-CG2 3.28Å; I1395-V1399 WeakPolarHBondContact O-CG2 3.3Å; I1395-V1399 PolarHBondContact O-N 3.32Å; V1396-V1399 PolarHBondContact O-N 2.75Å; V1399-T1401 PolarHBondContact O-N 2.88Å; V1399-S1402 WeakPolarHBondContact CA-OG 3.33Å; V1399-S1402 PolarHBondContact O-N 3.01Å; V1399-S1402 PolarHBondContact O-OG 2.99Å; V1399-S1402 VanDerWaalsContact O-OG 3.07Å; V1399-L1403 HydrophobicContact CG1-CD1 3.92Å; V1399-L1403 VanDerWaalsContact O-CB 3.28Å; V1399-L1403 WeakPolarHBondContact O-CB 3.38Å; V1399-L1403 WeakPolarHBondContact O-CG 3.46Å; V1399-L1403 PolarHBondContact O-N 3Å
1400	T	53.2	Low	52	Low	61 Å²	61	85.1 Å²	85.1	37%	0.374	48%	0.476	S	S	.	.	H	α-helix	trans	-68.5	-38.2	177.7	-15.9	0	0	0	0	112.3	V1396 A1397 L1403 N1404	V1396-T1400 HydrophobicContact CG1-CG2 4.32Å; V1396-T1400 WeakPolarHBondContact O-CB 3.32Å; V1396-T1400 WeakPolarHBondContact O-CG2 3.29Å; V1396-T1400 PolarHBondContact O-N 3.17Å; V1396-T1400 PolarHBondContact O-OG1 3.07Å; V1396-T1400 VanDerWaalsContact O-OG1 3.09Å; A1397-T1400 WeakPolarHBondContact CA-OG1 3.46Å; A1397-T1400 PolarHBondContact O-N 3Å; A1397-T1400 PolarHBondContact O-OG1 3.12Å; T1400-L1403 PolarHBondContact O-N 3.12Å; T1400-N1404 WeakPolarHBondContact O-CB 3.41Å; T1400-N1404 PolarHBondContact O-N 3.11Å
1401	T	51.9	Low	51	Low	72.2 Å²	72.2	87 Å²	87	44%	0.443	49%	0.485	S	S	.	.	H	α-helix	trans	-69.8	-39.3	175.4	47.4	0	0	0	0	112.3	A1397 T1398 V1399 L1403 N1404 M1405	A1397-T1401 WeakPolarHBondContact O-CB 3.42Å; A1397-T1401 VanDerWaalsContact O-CG2 3.28Å; A1397-T1401 WeakPolarHBondContact O-CG2 3.39Å; A1397-T1401 PolarHBondContact O-N 3.01Å; A1397-T1401 PolarHBondContact O-OG1 3.15Å; T1398-T1401 WeakPolarHBondContact CA-OG1 3.38Å; T1398-T1401 PolarHBondContact O-OG1 3.17Å; V1399-T1401 PolarHBondContact O-N 2.88Å; T1401-L1403 VanDerWaalsContact C-N 3.32Å; T1401-L1403 PolarHBondContact O-N 2.84Å; T1401-N1404 PolarHBondContact O-N 3.18Å; T1401-M1405 WeakPolarHBondContact O-CB 3.41Å; T1401-M1405 VanDerWaalsContact O-CG 3.26Å; T1401-M1405 WeakPolarHBondContact O-CG 3.35Å; T1401-M1405 PolarHBondContact O-N 3.16Å
1402	S	53.7	Low	49.6	Very low	65.8 Å²	65.8	85.8 Å²	85.8	46%	0.46	49%	0.492	S	S	.	.	H	α-helix	trans	-67	-37	173.7	64.8	0	0	0	0	113	T1398 V1399 M1405 F1406	T1398-S1402 VanDerWaalsContact O-CB 3.3Å; T1398-S1402 WeakPolarHBondContact O-CB 3.36Å; T1398-S1402 PolarHBondContact O-N 3.12Å; T1398-S1402 PolarHBondContact O-OG 3.06Å; V1399-S1402 WeakPolarHBondContact CA-OG 3.33Å; V1399-S1402 PolarHBondContact O-N 3.01Å; V1399-S1402 PolarHBondContact O-OG 2.99Å; V1399-S1402 VanDerWaalsContact O-OG 3.07Å; S1402-M1405 WeakPolarHBondContact O-CB 3.2Å; S1402-M1405 PolarHBondContact O-N 3.32Å; S1402-F1406 WeakPolarHBondContact O-CB 3.39Å; S1402-F1406 PolarHBondContact O-N 3.12Å
1403	L	51.8	Low	48.4	Very low	82.2 Å²	82.2	90.6 Å²	90.6	43%	0.43	51%	0.512	S	S	.	.	H	α-helix	trans	-64.5	-44.1	172.3	-87.1	159.7	0	0	0	112.2	V1399 T1400 T1401 M1405 F1406 L1407	V1399-L1403 HydrophobicContact CG1-CD1 3.92Å; V1399-L1403 VanDerWaalsContact O-CB 3.28Å; V1399-L1403 WeakPolarHBondContact O-CB 3.38Å; V1399-L1403 WeakPolarHBondContact O-CG 3.46Å; V1399-L1403 PolarHBondContact O-N 3Å; T1400-L1403 PolarHBondContact O-N 3.12Å; T1401-L1403 VanDerWaalsContact C-N 3.32Å; T1401-L1403 PolarHBondContact O-N 2.84Å; L1403-M1405 VanDerWaalsContact C-N 3.31Å; L1403-M1405 PolarHBondContact O-N 3.18Å; L1403-F1406 CarbonylContact O-C 3.57Å; L1403-F1406 WeakPolarHBondContact O-CB 3.41Å; L1403-F1406 PolarHBondContact O-N 3.22Å; L1403-F1406 VanDerWaalsContact O-N 3.12Å; L1403-L1407 HydrophobicContact CD2-CD1 4.27Å; L1403-L1407 WeakPolarHBondContact O-CB 3.42Å; L1403-L1407 WeakPolarHBondContact O-CD1 3.44Å; L1403-L1407 VanDerWaalsContact O-CG 3.28Å; L1403-L1407 WeakPolarHBondContact O-CG 3.43Å; L1403-L1407 PolarHBondContact O-N 3.17Å
1404	N	49.4	Very low	47.3	Very low	71.8 Å²	71.8	93.2 Å²	93.2	38%	0.384	53%	0.528	S	S	.	.	H	α-helix	trans	-62.7	-39.7	174.5	-81.2	-12.2	0	0	0	112	T1400 T1401 F1406 L1407 C1408	T1400-N1404 WeakPolarHBondContact O-CB 3.41Å; T1400-N1404 PolarHBondContact O-N 3.11Å; T1401-N1404 PolarHBondContact O-N 3.18Å; N1404-F1406 VanDerWaalsContact C-N 3.3Å; N1404-F1406 PolarHBondContact O-N 3.23Å; N1404-L1407 PolarHBondContact O-N 3.07Å; N1404-C1408 WeakPolarHBondContact O-CB 3.46Å; N1404-C1408 PolarHBondContact O-N 3.06Å; N1404-C1408 PolarHBondContact O-SG 3.07Å; N1404-C1408 VanDerWaalsContact O-SG 3.4Å
1405	M	50	Low	45.9	Very low	115.6 Å²	115.6	96.5 Å²	96.5	57%	0.569	54%	0.543	S	S	*	.	H	α-helix	trans	-62.9	-33.9	173.5	-73	-73.6	-66.5	0	0	112.6	T1401 S1402 L1403 C1408 F1516 I1522	T1401-M1405 WeakPolarHBondContact O-CB 3.41Å; T1401-M1405 VanDerWaalsContact O-CG 3.26Å; T1401-M1405 WeakPolarHBondContact O-CG 3.35Å; T1401-M1405 PolarHBondContact O-N 3.16Å; S1402-M1405 WeakPolarHBondContact O-CB 3.2Å; S1402-M1405 PolarHBondContact O-N 3.32Å; L1403-M1405 VanDerWaalsContact C-N 3.31Å; L1403-M1405 PolarHBondContact O-N 3.18Å; M1405-C1408 PolarHBondContact O-N 2.97Å; M1405-F1516 HydrophobicContact CE-CE1 3.75Å; M1405-F1516 HydrophobicContact CE-CZ 3.72Å; M1405-F1516 HydrophobicContact SD-CE1 3.98Å; M1405-F1516 HydrophobicContact SD-CZ 3.71Å; M1405-I1522 HydrophobicContact CE-CD1 3.8Å; M1405-I1522 HydrophobicContact SD-CD1 3.92Å; M1405-I1522 HydrophobicContact SD-CG1 4.4Å
1406	F	46.3	Very low	44.6	Very low	160.6 Å²	160.6	104 Å²	104	70%	0.704	57%	0.568	S	S	*	*	H	α-helix	trans	-77.8	-38.1	177.9	-144.3	-92.7	0	0	0	112.5	S1402 L1403 N1404 C1408 S1409	S1402-F1406 WeakPolarHBondContact O-CB 3.39Å; S1402-F1406 PolarHBondContact O-N 3.12Å; L1403-F1406 CarbonylContact O-C 3.57Å; L1403-F1406 WeakPolarHBondContact O-CB 3.41Å; L1403-F1406 PolarHBondContact O-N 3.22Å; L1403-F1406 VanDerWaalsContact O-N 3.12Å; N1404-F1406 VanDerWaalsContact C-N 3.3Å; N1404-F1406 PolarHBondContact O-N 3.23Å; F1406-C1408 VanDerWaalsContact C-N 3.29Å; F1406-C1408 PolarHBondContact O-N 3.02Å; F1406-S1409 WeakPolarHBondContact O-CB 3.32Å; F1406-S1409 PolarHBondContact O-N 3.12Å; F1406-S1409 VanDerWaalsContact O-N 3.15Å; F1406-S1409 PolarHBondContact O-OG 3.16Å
1407	L	45.7	Very low	43.3	Very low	111 Å²	111	108.8 Å²	108.8	58%	0.581	59%	0.591	S	S	*	*	H	α-helix	trans	-75.9	-19.7	178.9	-71.9	166.4	0	0	0	113.5	L1403 N1404 S1409	L1403-L1407 HydrophobicContact CD2-CD1 4.27Å; L1403-L1407 WeakPolarHBondContact O-CB 3.42Å; L1403-L1407 WeakPolarHBondContact O-CD1 3.44Å; L1403-L1407 VanDerWaalsContact O-CG 3.28Å; L1403-L1407 WeakPolarHBondContact O-CG 3.43Å; L1403-L1407 PolarHBondContact O-N 3.17Å; N1404-L1407 PolarHBondContact O-N 3.07Å; L1407-S1409 VanDerWaalsContact C-N 3.33Å; L1407-S1409 PolarHBondContact O-N 2.96Å
1408	C	40.8	Very low	42.2	Very low	99.4 Å²	99.4	111.2 Å²	111.2	67%	0.672	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	6.8	174	-72.6	0	0	0	0	114.3	N1404 M1405 F1406	N1404-C1408 WeakPolarHBondContact O-CB 3.46Å; N1404-C1408 PolarHBondContact O-N 3.06Å; N1404-C1408 PolarHBondContact O-SG 3.07Å; N1404-C1408 VanDerWaalsContact O-SG 3.4Å; M1405-C1408 PolarHBondContact O-N 2.97Å; F1406-C1408 VanDerWaalsContact C-N 3.29Å; F1406-C1408 PolarHBondContact O-N 3.02Å
1409	S	38	Very low	41	Very low	64.6 Å²	64.6	115.8 Å²	115.8	45%	0.452	62%	0.621	S	S	.	*	S	Bend	trans	-71.5	136	166	148.5	0	0	0	0	109.7	F1406 L1407 I1411	F1406-S1409 WeakPolarHBondContact O-CB 3.32Å; F1406-S1409 PolarHBondContact O-N 3.12Å; F1406-S1409 VanDerWaalsContact O-N 3.15Å; F1406-S1409 PolarHBondContact O-OG 3.16Å; L1407-S1409 VanDerWaalsContact C-N 3.33Å; L1407-S1409 PolarHBondContact O-N 2.96Å; S1409-I1411 VanDerWaalsContact C-N 3.32Å; S1409-I1411 PolarHBondContact O-N 3.24Å; S1409-I1411 VanDerWaalsContact O-N 3.13Å; S1409-I1411 WeakPolarHBondContact OG-CD1 3.36Å
1410	P	36.8	Very low	39.7	Very low	114.8 Å²	114.8	118.5 Å²	118.5	75%	0.745	64%	0.64	S	S	*	*			trans	-70.3	101.5	-174.6	28.3	-34.3	0	0	0	111.1	N1412	P1410-N1412 PolarHBondContact O-N 3.07Å; P1410-N1412 VanDerWaalsContact O-N 3.16Å
1411	I	35	Very low	38.7	Very low	131.4 Å²	131.4	126 Å²	126	67%	0.674	66%	0.663	S	S	*	*			trans	-80.5	59.6	171.8	-63	173.5	0	0	0	109.2	S1409 E1413 V1414	S1409-I1411 VanDerWaalsContact C-N 3.32Å; S1409-I1411 PolarHBondContact O-N 3.24Å; S1409-I1411 VanDerWaalsContact O-N 3.13Å; S1409-I1411 WeakPolarHBondContact OG-CD1 3.36Å; I1411-E1413 PolarHBondContact O-N 3.19Å; I1411-V1414 HydrophobicContact CG2-CB 4.28Å; I1411-V1414 HydrophobicContact CG2-CG2 4.26Å; I1411-V1414 WeakPolarHBondContact O-CB 3.25Å; I1411-V1414 PolarHBondContact O-N 3.3Å
1412	N	32.5	Very low	37.5	Very low	149.2 Å²	149.2	127.2 Å²	127.2	80%	0.798	67%	0.674	S	S	*	*			trans	-84.4	75.1	179.2	-85.5	2	0	0	0	112.8	P1410 V1414	P1410-N1412 PolarHBondContact O-N 3.07Å; P1410-N1412 VanDerWaalsContact O-N 3.16Å; N1412-V1414 HydrophobicContact CB-CB 4.31Å; N1412-V1414 HydrophobicContact CB-CG2 4Å; N1412-V1414 PolarHBondContact O-N 3.08Å
1413	E	32.5	Very low	36.3	Very low	167.2 Å²	167.2	133.3 Å²	133.3	78%	0.781	69%	0.688	S	S	*	*			trans	-90.3	31.4	170.1	-79	-177.7	164.9	0	0	112.9	I1411 I1417 R1508	I1411-E1413 PolarHBondContact O-N 3.19Å; E1413-I1417 VanDerWaalsContact O-CD1 3.22Å; E1413-I1417 WeakPolarHBondContact O-CD1 3.11Å; E1413-I1417 WeakPolarHBondContact O-CG1 3.35Å; E1413-R1508 IonicContact OE2-CZ 2.62Å; E1413-R1508 IonicContact OE2-NH1 3.2Å; E1413-R1508 PolarHBondContact OE2-NH1 3.27Å; E1413-R1508 IonicContact OE2-NH2 3.94Å; E1413-R1508 PolarHBondContact OE2-NH2 3.37Å
1414	V	32.7	Very low	35.2	Very low	112.8 Å²	112.8	137.6 Å²	137.6	68%	0.684	70%	0.703	S	S	*	*	S	Bend	trans	-115.7	38.7	178.6	-173.9	0	0	0	0	112	I1411 N1412 Y1416 I1417 S1418	I1411-V1414 HydrophobicContact CG2-CB 4.28Å; I1411-V1414 HydrophobicContact CG2-CG2 4.26Å; I1411-V1414 WeakPolarHBondContact O-CB 3.25Å; I1411-V1414 PolarHBondContact O-N 3.3Å; N1412-V1414 HydrophobicContact CB-CB 4.31Å; N1412-V1414 HydrophobicContact CB-CG2 4Å; N1412-V1414 PolarHBondContact O-N 3.08Å; V1414-Y1416 PolarHBondContact O-N 3.32Å; V1414-I1417 PolarHBondContact O-N 3.01Å; V1414-S1418 PolarHBondContact O-N 3.43Å
1415	N	31.3	Very low	34.2	Very low	148.2 Å²	148.2	140.4 Å²	140.4	79%	0.793	72%	0.718	S	S	*	*	S	Bend	trans	-142.6	55	164.9	-98.2	-1.1	0	0	0	113.3
1416	Y	30.8	Very low	33.3	Very low	222 Å²	222	143.9 Å²	143.9	87%	0.871	73%	0.731	S	S	*	*			trans	-124.2	68.8	163.1	-91.3	-81.8	0	0	0	111	V1414	V1414-Y1416 PolarHBondContact O-N 3.32Å
1417	I	31.5	Very low	32.5	Very low	156.6 Å²	156.6	141.8 Å²	141.8	80%	0.803	73%	0.73	S	S	*	*			trans	-133.3	76	164.4	-63.7	171.8	0	0	0	108.8	E1413 V1414	E1413-I1417 VanDerWaalsContact O-CD1 3.22Å; E1413-I1417 WeakPolarHBondContact O-CD1 3.11Å; E1413-I1417 WeakPolarHBondContact O-CG1 3.35Å; V1414-I1417 PolarHBondContact O-N 3.01Å
1418	S	30	Very low	31.7	Very low	96.2 Å²	96.2	143.4 Å²	143.4	67%	0.673	74%	0.74	S	S	*	*	S	Bend	trans	-138.2	95.9	173	56.9	0	0	0	0	111.8	V1414	V1414-S1418 PolarHBondContact O-N 3.43Å
1419	E	29.9	Very low	31.2	Very low	171.2 Å²	171.2	145.8 Å²	145.8	80%	0.8	74%	0.744	S	S	*	*				-152.5	141	103.9	-88.5	172.3	178.2	0	0	112	Y1421	E1419-Y1421 PolarHBondContact O-N 3.12Å; E1419-Y1421 VanDerWaalsContact O-N 3.15Å
1420	P	30.5	Very low	30.8	Very low	114 Å²	114	148 Å²	148	74%	0.74	76%	0.757	S	S	*	*			trans	-91.9	121.9	177	34	-28.3	0	0	0	111.4	S1422	P1420-S1422 VanDerWaalsContact C-N 3.31Å; P1420-S1422 PolarHBondContact O-N 2.93Å; P1420-S1422 VanDerWaalsContact O-N 3.1Å
1421	Y	31.2	Very low	30.3	Very low	219.8 Å²	219.8	152.7 Å²	152.7	86%	0.862	76%	0.762	S	S	*	*			trans	-119.8	134.6	154.4	-87.2	-72.1	0	0	0	109.7	E1419 Y1423	E1419-Y1421 PolarHBondContact O-N 3.12Å; E1419-Y1421 VanDerWaalsContact O-N 3.15Å; Y1421-Y1423 PolarHBondContact O-N 3.21Å; Y1421-Y1423 VanDerWaalsContact O-N 3.1Å
1422	S	27.7	Very low	29.9	Very low	95.8 Å²	95.8	154.4 Å²	154.4	67%	0.67	77%	0.766	S	S	*	*			trans	-102.6	127.2	-174.3	163.9	0	0	0	0	108.7	P1420 K1424 D1425	P1420-S1422 VanDerWaalsContact C-N 3.31Å; P1420-S1422 PolarHBondContact O-N 2.93Å; P1420-S1422 VanDerWaalsContact O-N 3.1Å; S1422-K1424 PolarHBondContact O-N 3.34Å; S1422-D1425 PolarHBondContact O-N 3.31Å
1423	Y	28.1	Very low	29.7	Very low	194.6 Å²	194.6	155.2 Å²	155.2	76%	0.763	77%	0.766	S	S	*	*			trans	-106.3	91	168	-162	-100.5	0	0	0	112.4	Y1421 D1425	Y1421-Y1423 PolarHBondContact O-N 3.21Å; Y1421-Y1423 VanDerWaalsContact O-N 3.1Å; Y1423-D1425 HydrophobicContact CE1-CB 4.38Å
1424	K	27.7	Very low	29.5	Very low	172 Å²	172	157 Å²	157	75%	0.748	77%	0.767	S	S	*	*			trans	-97.1	158.5	171.7	-79.3	173	178.5	175.7	0	111.9	S1422	S1422-K1424 PolarHBondContact O-N 3.34Å
1425	D	29.4	Very low	29.1	Very low	130.4 Å²	130.4	159 Å²	159	70%	0.697	77%	0.769	S	S	*	*	S	Bend	trans	179.9	117.7	175.2	-61.9	-27.2	0	0	0	113.5	S1422 Y1423	S1422-D1425 PolarHBondContact O-N 3.31Å; Y1423-D1425 HydrophobicContact CE1-CB 4.38Å
1426	F	30.2	Very low	28.9	Very low	191 Å²	191	160.4 Å²	160.4	84%	0.838	77%	0.768	S	S	*	*			trans	-92.6	50.1	172.8	-78.7	-85.4	0	0	0	115.6
1427	V	30.8	Very low	28.7	Very low	114.6 Å²	114.6	157.1 Å²	157.1	70%	0.695	76%	0.76	S	S	*	*			trans	-89.7	90	161.5	173.2	0	0	0	0	110.8
1428	N	28.7	Very low	28.4	Very low	145.2 Å²	145.2	154.1 Å²	154.1	78%	0.776	75%	0.753	S	S	*	*			trans	171.3	96.8	176.7	-72.8	-25.5	0	0	0	115.7	P1430	N1428-P1430 WeakPolarHBondContact O-CD 3.27Å
1429	I	30	Very low	28.3	Very low	149.8 Å²	149.8	158.6 Å²	158.6	77%	0.768	76%	0.761	S	S	*	*			trans	-162	128.7	146.7	-70.6	166	0	0	0	109.9	Y1431	I1429-Y1431 PolarHBondContact O-N 2.88Å
1430	P	29.8	Very low	28.2	Very low	111.8 Å²	111.8	156.8 Å²	156.8	73%	0.726	76%	0.757	S	S	*	*			trans	-96	163	-171.8	35.6	-31.6	0	0	0	114	N1428 E1432	N1428-P1430 WeakPolarHBondContact O-CD 3.27Å; P1430-E1432 VanDerWaalsContact C-N 3.26Å; P1430-E1432 PolarHBondContact O-N 2.94Å
1431	Y	26.2	Very low	28.1	Very low	213 Å²	213	157.6 Å²	157.6	84%	0.835	76%	0.755	S	S	*	*			trans	-29.4	105.8	173.3	-100	-100.1	0	0	0	116.4	I1429	I1429-Y1431 PolarHBondContact O-N 2.88Å
1432	E	27.2	Very low	27.9	Very low	166 Å²	166	154 Å²	154	78%	0.776	75%	0.751	S	S	*	*			trans	-172.1	134.5	151.5	-97.9	-178.3	-161.5	0	0	117.3	P1430	P1430-E1432 VanDerWaalsContact C-N 3.26Å; P1430-E1432 PolarHBondContact O-N 2.94Å
1433	Q	27.9	Very low	27.9	Very low	167.2 Å²	167.2	156.9 Å²	156.9	78%	0.781	76%	0.758	S	S	*	*			trans	117.9	104.9	158.2	-82.6	178.5	4.9	0	0	117.2
1434	Y	27.8	Very low	27.9	Very low	205.6 Å²	205.6	151.7 Å²	151.7	81%	0.806	75%	0.75	S	S	*	*			trans	97.3	100.3	148.7	-70.6	-71.2	0	0	0	114.4	F1436	Y1434-F1436 VanDerWaalsContact C-N 3.32Å; Y1434-F1436 PolarHBondContact O-N 3.38Å
1435	Q	25.1	Very low	27.9	Very low	154 Å²	154	151.2 Å²	151.2	72%	0.72	75%	0.753	S	S	*	*				-111.1	126.4	74.8	-141.7	179.5	2.4	0	0	109.9	H1437	Q1435-H1437 PolarHBondContact O-N 2.75Å; Q1435-H1437 VanDerWaalsContact O-N 3.16Å
1436	F	25.6	Very low	27.9	Very low	176.8 Å²	176.8	149.6 Å²	149.6	78%	0.775	75%	0.753	S	S	*	*				-88.4	139.9	127.3	-93.2	-97.8	0	0	0	113.7	Y1434 S1438	Y1434-F1436 VanDerWaalsContact C-N 3.32Å; Y1434-F1436 PolarHBondContact O-N 3.38Å; F1436-S1438 PolarHBondContact O-N 3.14Å
1437	H	27.1	Very low	27.9	Very low	153 Å²	153	144.9 Å²	144.9	71%	0.708	74%	0.744	S	S	*	*			trans	-128	123.9	138.3	-123.8	-73.8	0	0	0	113.9	Q1435 F1439	Q1435-H1437 PolarHBondContact O-N 2.75Å; Q1435-H1437 VanDerWaalsContact O-N 3.16Å; H1437-F1439 VanDerWaalsContact C-N 3.33Å; H1437-F1439 HydrophobicContact CB-CD2 4.06Å; H1437-F1439 HydrophobicContact CB-CE2 4.45Å; H1437-F1439 AromaticContact CE1-CE2 3.54Å; H1437-F1439 AromaticContact CG-CD2 3.84Å; H1437-F1439 AromaticContact CG-CE2 3.77Å; H1437-F1439 AromaticContact ND1-CD2 3.42Å; H1437-F1439 WeakPolarHBondContact ND1-CD2 3.47Å; H1437-F1439 AromaticContact ND1-CE2 3.2Å; H1437-F1439 WeakPolarHBondContact ND1-CE2 3.23Å; H1437-F1439 PolarHBondContact O-N 3.27Å
1438	S	25.1	Very low	27.8	Very low	93.8 Å²	93.8	146.5 Å²	146.5	66%	0.656	75%	0.748	S	S	*	*			trans	-73.5	130.9	164.9	70.3	0	0	0	0	111.6	F1436 N1440	F1436-S1438 PolarHBondContact O-N 3.14Å; S1438-N1440 PolarHBondContact O-N 3.05Å
1439	F	28.1	Very low	27.8	Very low	192 Å²	192	146.9 Å²	146.9	84%	0.842	75%	0.749	S	S	*	*			trans	-119.4	124.4	153.4	-108.8	-80	0	0	0	110.6	H1437 N1441	H1437-F1439 VanDerWaalsContact C-N 3.33Å; H1437-F1439 HydrophobicContact CB-CD2 4.06Å; H1437-F1439 HydrophobicContact CB-CE2 4.45Å; H1437-F1439 AromaticContact CE1-CE2 3.54Å; H1437-F1439 AromaticContact CG-CD2 3.84Å; H1437-F1439 AromaticContact CG-CE2 3.77Å; H1437-F1439 AromaticContact ND1-CD2 3.42Å; H1437-F1439 WeakPolarHBondContact ND1-CD2 3.47Å; H1437-F1439 AromaticContact ND1-CE2 3.2Å; H1437-F1439 WeakPolarHBondContact ND1-CE2 3.23Å; H1437-F1439 PolarHBondContact O-N 3.27Å; F1439-N1441 HydrophobicContact CD1-CB 4.21Å; F1439-N1441 WeakPolarHBondContact CD1-ND2 3.11Å; F1439-N1441 WeakPolarHBondContact CE1-ND2 3.44Å; F1439-N1441 PolarHBondContact O-N 3.34Å; F1439-N1441 VanDerWaalsContact O-N 3.1Å
1440	N	27.2	Very low	27.8	Very low	132.8 Å²	132.8	146.4 Å²	146.4	71%	0.71	75%	0.746	S	S	*	*			trans	-83.3	137.7	-177.8	-118.6	-12.2	0	0	0	111.9	S1438 N1442	S1438-N1440 PolarHBondContact O-N 3.05Å; N1440-N1442 VanDerWaalsContact C-N 3.25Å; N1440-N1442 PolarHBondContact O-N 3.25Å
1441	N	28.8	Very low	27.7	Very low	131.4 Å²	131.4	147.5 Å²	147.5	70%	0.703	75%	0.746	S	S	*	*			trans	110.8	101.5	144.6	-79.7	-22.5	0	0	0	117.9	F1439 L1443	F1439-N1441 HydrophobicContact CD1-CB 4.21Å; F1439-N1441 WeakPolarHBondContact CD1-ND2 3.11Å; F1439-N1441 WeakPolarHBondContact CE1-ND2 3.44Å; F1439-N1441 PolarHBondContact O-N 3.34Å; F1439-N1441 VanDerWaalsContact O-N 3.1Å; N1441-L1443 PolarHBondContact O-N 2.7Å
1442	N	26.7	Very low	27.8	Very low	143.8 Å²	143.8	147.3 Å²	147.3	77%	0.769	75%	0.745	S	S	*	*			trans	27	95.9	149.6	-60	-23.4	0	0	0	117.2	N1440 S1444	N1440-N1442 VanDerWaalsContact C-N 3.25Å; N1440-N1442 PolarHBondContact O-N 3.25Å; N1442-S1444 VanDerWaalsContact C-N 3.32Å; N1442-S1444 PolarHBondContact O-N 2.81Å
1443	L	28.3	Very low	27.8	Very low	156.2 Å²	156.2	146.3 Å²	146.3	82%	0.818	75%	0.745	S	S	*	*			trans	-145.2	88	144.3	-139.2	75.9	0	0	0	110.5	N1441 I1445	N1441-L1443 PolarHBondContact O-N 2.7Å; L1443-I1445 HydrophobicContact CG-CG1 4.47Å; L1443-I1445 PolarHBondContact O-N 3.28Å; L1443-I1445 VanDerWaalsContact O-N 3.15Å
1444	S	27.8	Very low	27.8	Very low	85.4 Å²	85.4	147.5 Å²	147.5	60%	0.597	75%	0.748	S	S	*	*			trans	-39.8	116.5	151.7	62.5	0	0	0	0	113.5	N1442 S1446 S1447	N1442-S1444 VanDerWaalsContact C-N 3.32Å; N1442-S1444 PolarHBondContact O-N 2.81Å; S1444-S1446 PolarHBondContact O-N 3.02Å; S1444-S1446 PolarHBondContact O-OG 2.85Å; S1444-S1446 PolarHBondContact OG-OG 3.32Å; S1444-S1446 VanDerWaalsContact OG-OG 3.06Å; S1444-S1447 PolarHBondContact O-N 2.85Å; S1444-S1447 PolarHBondContact O-OG 2.8Å; S1444-S1447 VanDerWaalsContact O-OG 3.07Å
1445	I	29	Very low	27.8	Very low	161 Å²	161	147.5 Å²	147.5	83%	0.826	75%	0.752	S	S	*	*	S	Bend	trans	-69.7	54.8	167.3	-61.1	171.6	0	0	0	111.4	L1443 S1447	L1443-I1445 HydrophobicContact CG-CG1 4.47Å; L1443-I1445 PolarHBondContact O-N 3.28Å; L1443-I1445 VanDerWaalsContact O-N 3.15Å; I1445-S1447 VanDerWaalsContact C-N 3.32Å; I1445-S1447 PolarHBondContact O-N 3.1Å
1446	S	27.8	Very low	28	Very low	97.4 Å²	97.4	143.2 Å²	143.2	68%	0.681	75%	0.749	S	S	*	*			trans	-101.2	30.9	170.7	-10.2	0	0	0	0	113.8	S1444	S1444-S1446 PolarHBondContact O-N 3.02Å; S1444-S1446 PolarHBondContact O-OG 2.85Å; S1444-S1446 PolarHBondContact OG-OG 3.32Å; S1444-S1446 VanDerWaalsContact OG-OG 3.06Å
1447	S	30.1	Very low	28	Very low	92.8 Å²	92.8	142.1 Å²	142.1	65%	0.649	75%	0.751	S	S	*	*			trans	-120.6	36.3	177.1	58.9	0	0	0	0	115.2	S1444 I1445 N1451	S1444-S1447 PolarHBondContact O-N 2.85Å; S1444-S1447 PolarHBondContact O-OG 2.8Å; S1444-S1447 VanDerWaalsContact O-OG 3.07Å; I1445-S1447 VanDerWaalsContact C-N 3.32Å; I1445-S1447 PolarHBondContact O-N 3.1Å; S1447-N1451 PolarHBondContact O-N 3.04Å
1448	L	29.4	Very low	28	Very low	148.4 Å²	148.4	141.8 Å²	141.8	78%	0.777	75%	0.753	S	S	*	*	S	Bend	trans	-113.3	44.1	170.6	-100.5	159.3	0	0	0	113.6
1449	L	28.8	Very low	28	Very low	153.2 Å²	153.2	146.1 Å²	146.1	80%	0.802	76%	0.761	S	S	*	*	S	Bend	trans	-106.1	50.6	174.8	-105.6	163.3	0	0	0	115.6
1450	I	29.8	Very low	27.9	Very low	139.2 Å²	139.2	143.8 Å²	143.8	71%	0.714	76%	0.757	S	S	*	*			trans	-119.4	79.1	157.7	-60.3	161.4	0	0	0	112.5	Y1452	I1450-Y1452 VanDerWaalsContact C-N 3.27Å; I1450-Y1452 PolarHBondContact O-N 3.05Å
1451	N	27.3	Very low	27.9	Very low	134.2 Å²	134.2	145.8 Å²	145.8	72%	0.718	76%	0.762	S	S	*	*			trans	-179.9	84.3	167.3	-120.5	-5.7	0	0	0	116.2	S1447	S1447-N1451 PolarHBondContact O-N 3.04Å
1452	Y	28.8	Very low	27.8	Very low	210 Å²	210	144.3 Å²	144.3	82%	0.824	76%	0.761	S	S	*	*			trans	-128.5	85.8	157	-102.6	-75.8	0	0	0	114.4	I1450	I1450-Y1452 VanDerWaalsContact C-N 3.27Å; I1450-Y1452 PolarHBondContact O-N 3.05Å
1453	N	27.9	Very low	27.7	Very low	143.4 Å²	143.4	142.9 Å²	142.9	77%	0.767	76%	0.763	S	S	*	*			trans	-124.2	98.9	166.4	-94.5	-28.8	0	0	0	112.9
1454	F	28.1	Very low	27.8	Very low	192.2 Å²	192.2	141 Å²	141	84%	0.843	76%	0.759	S	S	*	*			trans	-114	102.8	160.5	-122.7	-91	0	0	0	112.3
1455	K	27.4	Very low	27.8	Very low	207 Å²	207	145.5 Å²	145.5	90%	0.9	77%	0.771	S	S	*	*			trans	-99.1	111.6	149.8	-118.7	174.9	-179.7	177.4	0	110.9
1456	G	28	Very low	27.5	Very low	63.6 Å²	63.6	142.1 Å²	142.1	66%	0.656	76%	0.762	S	S	*	*			trans	175.5	90.8	176.9	0	0	0	0	0	114.2
1457	N	27.4	Very low	27.4	Very low	152.6 Å²	152.6	148.5 Å²	148.5	82%	0.816	77%	0.771	S	S	*	*			trans	66.9	125.3	163.8	-72.9	-9.7	0	0	0	116.8	F1459	N1457-F1459 PolarHBondContact O-N 3.43Å
1458	I	27	Very low	27.1	Very low	147.6 Å²	147.6	149.6 Å²	149.6	76%	0.757	78%	0.775	S	S	*	*			trans	-147.3	126.5	136.7	-77.6	162	0	0	0	111.4
1459	F	25.2	Very low	26.9	Very low	183.4 Å²	183.4	147.9 Å²	147.9	80%	0.804	78%	0.775	S	S	*	*			trans	113.7	126.3	153	-106.6	-110	0	0	0	116.3	N1457	N1457-F1459 PolarHBondContact O-N 3.43Å
1460	L	25.9	Very low	26.8	Very low	145.2 Å²	145.2	145.7 Å²	145.7	76%	0.76	77%	0.772	S	S	*	*			trans	-68	128.2	153.3	-70	135.8	0	0	0	111.9
1461	Q	26.5	Very low	26.8	Very low	174 Å²	174	144.8 Å²	144.8	81%	0.813	78%	0.776	S	S	*	*				-174.3	144.3	118.7	-126.6	166.8	-32.1	0	0	113
1462	S	26	Very low	26.7	Very low	99.8 Å²	99.8	143.4 Å²	143.4	70%	0.698	78%	0.776	S	S	*	*			trans	-138	135	161.3	55.3	0	0	0	0	114.5
1463	S	25.6	Very low	26.6	Very low	114.4 Å²	114.4	138.7 Å²	138.7	80%	0.8	77%	0.774	S	S	*	*			trans	129.7	165.5	134.9	49.7	0	0	0	0	115.1
1464	P	30.9	Very low	26.5	Very low	115.2 Å²	115.2	136.6 Å²	136.6	75%	0.748	77%	0.771	S	S	*	*			trans	-123.6	174.5	-146.6	38.8	-23.4	0	0	0	116
1465	Q	26.9	Very low	26.4	Very low	180.2 Å²	180.2	132.7 Å²	132.7	84%	0.842	77%	0.767	S	S	*	*			trans	156.5	128.9	163.8	-75.1	169.6	-29.3	0	0	113.4
1466	S	23.3	Very low	26.4	Very low	90.6 Å²	90.6	127.1 Å²	127.1	63%	0.634	75%	0.754	S	S	*	*				104.1	140.5	101.2	59.7	0	0	0	0	115.7
1467	W	24.5	Very low	26.3	Very low	230.8 Å²	230.8	131.4 Å²	131.4	87%	0.874	76%	0.761	S	S	*	*			trans	90.3	133.2	136.2	-66.4	22.5	0	0	0	116.4
1468	T	24	Very low	26.3	Very low	117.2 Å²	117.2	131.6 Å²	131.6	72%	0.719	76%	0.762	S	S	*	*				95.2	136.1	73	47.3	0	0	0	0	114.2
1469	S	26.1	Very low	26.3	Very low	111.2 Å²	111.2	134 Å²	134	78%	0.778	76%	0.763	S	S	*	*			trans	145.2	142.5	139.7	48.9	0	0	0	0	114.1
1470	S	25.7	Very low	26.4	Very low	107.8 Å²	107.8	130.5 Å²	130.5	75%	0.754	75%	0.752	S	S	*	*			trans	-77.4	167.1	142	58.1	0	0	0	0	113.8	S1472	S1470-S1472 PolarHBondContact O-N 3.12Å
1471	P	30.3	Very low	26.4	Very low	121 Å²	121	131.2 Å²	131.2	79%	0.786	75%	0.753	S	S	*	*				-124.4	173.7	-53.1	37.4	-20.7	0	0	0	114.4
1472	S	25.4	Very low	26.5	Very low	103.4 Å²	103.4	132.1 Å²	132.1	72%	0.723	76%	0.755	S	S	*	*			trans	169.3	132.2	155.7	57.8	0	0	0	0	116.3	S1470 S1474	S1470-S1472 PolarHBondContact O-N 3.12Å; S1472-S1474 PolarHBondContact O-N 2.98Å
1473	S	26.1	Very low	26.6	Very low	111.2 Å²	111.2	132 Å²	132	78%	0.778	75%	0.75	S	S	*	*			trans	68.5	116.2	148.5	51.2	0	0	0	0	117
1474	S	26.5	Very low	26.9	Very low	100.2 Å²	100.2	133.7 Å²	133.7	70%	0.701	75%	0.75	S	S	*	*				-170.7	108.1	67.1	38.2	0	0	0	0	112.5	S1472 S1476	S1472-S1474 PolarHBondContact O-N 2.98Å; S1474-S1476 PolarHBondContact O-N 3.19Å
1475	S	25.9	Very low	26.7	Very low	110.2 Å²	110.2	132.9 Å²	132.9	77%	0.771	75%	0.748	S	S	*	*			trans	-7.8	103.1	154.5	55.2	0	0	0	0	116.9
1476	S	26.5	Very low	27	Very low	89.2 Å²	89.2	129.8 Å²	129.8	62%	0.624	74%	0.743	S	S	*	*			trans	164	103.1	153.3	63.3	0	0	0	0	116.2	S1474 N1480	S1474-S1476 PolarHBondContact O-N 3.19Å; S1476-N1480 PolarHBondContact O-ND2 2.89Å
1477	L	27.2	Very low	27.2	Very low	154.6 Å²	154.6	132.7 Å²	132.7	81%	0.809	75%	0.749	S	S	*	*			trans	-155.3	103.2	178.5	-94.1	166.3	0	0	0	112.2
1478	L	26.8	Very low	27.5	Very low	157.2 Å²	157.2	128 Å²	128	82%	0.823	74%	0.741	S	S	*	*	S	Bend	trans	-2.7	76.9	152.2	-74.7	169	0	0	0	116.1
1479	Y	27.6	Very low	27.7	Very low	197.6 Å²	197.6	127.9 Å²	127.9	78%	0.775	74%	0.74	S	S	*	*			trans	-138.7	96.6	156.2	-130	-107.7	0	0	0	115	T1483	Y1479-T1483 HydrophobicContact CD1-CG2 4.02Å; Y1479-T1483 HydrophobicContact CE1-CG2 3.93Å; Y1479-T1483 WeakPolarHBondContact O-CG2 3.29Å; Y1479-T1483 PolarHBondContact O-OG1 3.41Å
1480	N	27.4	Very low	27.9	Very low	108.6 Å²	108.6	129.1 Å²	129.1	58%	0.581	74%	0.736	S	S	*	*			trans	2.2	76	166.6	-71.1	-8.4	0	0	0	118.7	S1476	S1476-N1480 PolarHBondContact O-ND2 2.89Å
1481	M	26.2	Very low	28.1	Very low	161 Å²	161	129 Å²	129	79%	0.793	73%	0.731	S	S	*	*				-107.6	84.2	128.7	-84.6	-158.5	-139.8	0	0	114.9
1482	F	27.7	Very low	28	Very low	192 Å²	192	130 Å²	130	84%	0.842	73%	0.73	S	S	*	*			trans	-125.3	107.4	155.9	-88.8	-90.7	0	0	0	110.8	N1484	F1482-N1484 PolarHBondContact O-N 2.88Å
1483	T	28.9	Very low	28.1	Very low	97.6 Å²	97.6	130.4 Å²	130.4	60%	0.599	73%	0.728	S	S	*	*			trans	-142.6	102.7	158.6	53	0	0	0	0	112.7	Y1479 S1485	Y1479-T1483 HydrophobicContact CD1-CG2 4.02Å; Y1479-T1483 HydrophobicContact CE1-CG2 3.93Å; Y1479-T1483 WeakPolarHBondContact O-CG2 3.29Å; Y1479-T1483 PolarHBondContact O-OG1 3.41Å; T1483-S1485 PolarHBondContact O-N 3.45Å
1484	N	30.7	Very low	28.2	Very low	150.6 Å²	150.6	130.4 Å²	130.4	81%	0.805	73%	0.728	S	S	*	*			trans	-167.6	115.9	139.2	-82	-22.3	0	0	0	112	F1482	F1482-N1484 PolarHBondContact O-N 2.88Å
1485	S	27.5	Very low	28.3	Very low	99.6 Å²	99.6	130.2 Å²	130.2	70%	0.697	73%	0.727	S	S	*	*			trans	-74	163.2	155.4	58.3	0	0	0	0	111.4	T1483 M1487	T1483-S1485 PolarHBondContact O-N 3.45Å; S1485-M1487 PolarHBondContact O-N 2.87Å
1486	P	32.7	Very low	28.4	Very low	114 Å²	114	132.2 Å²	132.2	74%	0.74	73%	0.727	S	S	*	*				-128.2	149.5	119.8	37.1	-23.9	0	0	0	115
1487	M	27.9	Very low	28.3	Very low	152 Å²	152	132.8 Å²	132.8	75%	0.749	73%	0.731	S	S	*	*			trans	33.2	111.9	161.4	-94.1	-27.9	179.4	0	0	114.7	S1485	S1485-M1487 PolarHBondContact O-N 2.87Å
1488	N	29.6	Very low	28.3	Very low	132.2 Å²	132.2	130.2 Å²	130.2	71%	0.707	73%	0.726	S	S	*	*				153.7	140.3	113.9	-97.4	2.9	0	0	0	114.6	T1491	N1488-T1491 PolarHBondContact OD1-OG1 2.93Å
1489	T	30.1	Very low	28.3	Very low	115 Å²	115	131.1 Å²	131.1	71%	0.706	73%	0.726	S	S	*	*				170.4	130.8	124.3	23.8	0	0	0	0	114.6
1490	I	29.7	Very low	28.3	Very low	137 Å²	137	126.4 Å²	126.4	70%	0.703	72%	0.721	S	S	*	*			trans	91.6	117.8	132.7	-75.2	173.4	0	0	0	115	N1492	I1490-N1492 PolarHBondContact O-N 3.4Å
1491	T	29.5	Very low	28.3	Very low	105.8 Å²	105.8	127.9 Å²	127.9	65%	0.649	73%	0.73	S	S	*	*			trans	72.3	133.8	162.5	55.2	0	0	0	0	117.7	N1488	N1488-T1491 PolarHBondContact OD1-OG1 2.93Å
1492	N	28.1	Very low	28.3	Very low	140.4 Å²	140.4	128 Å²	128	75%	0.751	73%	0.728	S	S	*	*			trans	22.2	131.6	130	-78.1	-7.7	0	0	0	115.6	I1490	I1490-N1492 PolarHBondContact O-N 3.4Å
1493	T	28.6	Very low	28.3	Very low	113.4 Å²	113.4	125.4 Å²	125.4	70%	0.696	72%	0.723	S	S	*	*				-164.6	124.3	62.8	38.8	0	0	0	0	113.7	S1495	T1493-S1495 PolarHBondContact O-N 3.25Å
1494	S	28.4	Very low	28.2	Very low	109.4 Å²	109.4	128.9 Å²	128.9	77%	0.765	73%	0.732	S	S	*	*			trans	55.6	138.6	138.4	74.5	0	0	0	0	117.5
1495	S	27.3	Very low	28.1	Very low	96.8 Å²	96.8	128 Å²	128	68%	0.677	73%	0.728	S	S	*	*			cis	-173.1	158.4	-10.7	56.7	0	0	0	0	111.9	T1493	T1493-S1495 PolarHBondContact O-N 3.25Å
1496	I	28.2	Very low	28.2	Very low	153 Å²	153	132.2 Å²	132.2	79%	0.785	73%	0.733	S	S	*	*			trans	111.8	125.1	165.9	-66.4	161.8	0	0	0	112
1497	S	25.1	Very low	28	Very low	101 Å²	101	134.4 Å²	134.4	71%	0.706	74%	0.739	S	S	*	*			trans	102.8	116.6	169.9	68.7	0	0	0	0	115
1498	S	26.5	Very low	28	Very low	99.6 Å²	99.6	138.2 Å²	138.2	70%	0.697	75%	0.745	S	S	*	*				135.4	134.2	128.5	59.6	0	0	0	0	115.8
1499	H	27.2	Very low	28	Very low	177.4 Å²	177.4	135.3 Å²	135.3	82%	0.821	75%	0.746	S	S	*	*			trans	93.5	124.8	145.3	-81.1	-66.5	0	0	0	116.5	N1501	H1499-N1501 PolarHBondContact O-N 3.18Å
1500	S	27	Very low	28.1	Very low	97.2 Å²	97.2	140.7 Å²	140.7	68%	0.68	76%	0.755	S	S	*	*				-101.4	146.1	117.6	52.1	0	0	0	0	114.2
1501	N	27.1	Very low	28.4	Very low	141.8 Å²	141.8	136.6 Å²	136.6	76%	0.758	75%	0.747	S	S	*	*			trans	164.9	143.1	148.2	-83	-21.7	0	0	0	114.7	H1499	H1499-N1501 PolarHBondContact O-N 3.18Å
1502	Q	27.2	Very low	28.7	Very low	162 Å²	162	141 Å²	141	76%	0.757	75%	0.753	S	S	*	*			trans	64.2	123.2	140.9	-82.6	170.7	-4	0	0	115.4
1503	N	26.5	Very low	29.2	Very low	138.4 Å²	138.4	141 Å²	141	74%	0.74	75%	0.748	S	S	*	*			trans	88.8	110.4	131.3	-69	-20.5	0	0	0	118.3
1504	H	28.5	Very low	30	Very low	169.6 Å²	169.6	139.1 Å²	139.1	79%	0.785	74%	0.739	S	S	*	*			trans	60.3	129.8	134.1	-92.6	-74.4	0	0	0	117.8
1505	N	28.3	Very low	30.6	Very low	133.4 Å²	133.4	140 Å²	140	71%	0.713	73%	0.73	S	S	*	*			trans	68.3	103.4	153.7	-59.9	-18.8	0	0	0	117.7
1506	F	28.9	Very low	31.5	Very low	185.8 Å²	185.8	139.7 Å²	139.7	82%	0.815	72%	0.716	S	S	*	*			trans	-156	99.7	136.4	-90.2	-86.4	0	0	0	114.1	R1508 L1616	F1506-R1508 HydrophobicContact CD1-CB 4.41Å; F1506-R1508 HydrophobicContact CD1-CG 3.88Å; F1506-R1508 HydrophobicContact CE1-CG 4.12Å; F1506-R1508 PolarHBondContact O-N 3.29Å; F1506-L1616 HydrophobicContact CE1-CD2 4.13Å
1507	N	28.9	Very low	32.5	Very low	162.2 Å²	162.2	136.5 Å²	136.5	87%	0.867	70%	0.701	S	S	*	*			trans	-139.9	95.7	146.2	-98.1	-26.1	0	0	0	112.5
1508	R	28	Very low	33.6	Very low	231.4 Å²	231.4	134.9 Å²	134.9	87%	0.873	68%	0.684	S	S	*	*			trans	-145.6	82	162.2	-103.3	-175.6	-179.3	-174.6	2.1	110.4	E1413 F1506 Y1510	E1413-R1508 IonicContact OE2-CZ 2.62Å; E1413-R1508 IonicContact OE2-NH1 3.2Å; E1413-R1508 PolarHBondContact OE2-NH1 3.27Å; E1413-R1508 IonicContact OE2-NH2 3.94Å; E1413-R1508 PolarHBondContact OE2-NH2 3.37Å; F1506-R1508 HydrophobicContact CD1-CB 4.41Å; F1506-R1508 HydrophobicContact CD1-CG 3.88Å; F1506-R1508 HydrophobicContact CE1-CG 4.12Å; F1506-R1508 PolarHBondContact O-N 3.29Å; R1508-Y1510 VanDerWaalsContact C-N 3.3Å; R1508-Y1510 HydrophobicContact CG-CD2 4.43Å; R1508-Y1510 PolarHBondContact O-N 3.1Å; R1508-Y1510 VanDerWaalsContact O-N 3.09Å
1509	G	29.7	Very low	34.8	Very low	69.8 Å²	69.8	134.8 Å²	134.8	72%	0.72	67%	0.673	S	S	*	*			trans	-132.6	10.1	178.3	0	0	0	0	0	115.3	G1511	G1509-G1511 PolarHBondContact O-N 2.94Å
1510	Y	32.6	Very low	36	Very low	228.6 Å²	228.6	130.7 Å²	130.7	90%	0.896	65%	0.653	S	S	*	*			trans	-111.8	75.1	-177.7	-69.9	-79	0	0	0	112.6	R1508	R1508-Y1510 VanDerWaalsContact C-N 3.3Å; R1508-Y1510 HydrophobicContact CG-CD2 4.43Å; R1508-Y1510 PolarHBondContact O-N 3.1Å; R1508-Y1510 VanDerWaalsContact O-N 3.09Å
1511	G	34.4	Very low	37.3	Very low	51.4 Å²	51.4	129.7 Å²	129.7	53%	0.53	64%	0.639	S	S	.	*			trans	-136.4	-30.1	178.2	0	0	0	0	0	117.2	G1509 H1513 F1515	G1509-G1511 PolarHBondContact O-N 2.94Å; G1511-H1513 PolarHBondContact O-N 3.41Å; G1511-F1515 WeakPolarHBondContact O-CE2 3.39Å
1512	Y	36.5	Very low	38.7	Very low	198.4 Å²	198.4	126.6 Å²	126.6	78%	0.778	62%	0.622	S	S	*	*	S	Bend	trans	-91.2	-15.4	-166.7	-75.4	-78.9	0	0	0	115.8	S1514 F1516	Y1512-S1514 PolarHBondContact O-N 2.95Å; Y1512-F1516 WeakPolarHBondContact O-CD2 3.24Å
1513	H	39.1	Very low	40.2	Very low	140.8 Å²	140.8	122.2 Å²	122.2	65%	0.652	60%	0.603	S	S	*	*	S	Bend	trans	-82	-18.4	-169.1	-125.9	-78.4	0	0	0	115.5	G1511 Q1623	G1511-H1513 PolarHBondContact O-N 3.41Å; H1513-Q1623 PolarHBondContact CE1-OE1 3.19Å; H1513-Q1623 PolarHBondContact NE2-NE2 2.95Å; H1513-Q1623 PolarHBondContact NE2-OE1 2.84Å
1514	S	44.3	Very low	41.6	Very low	73 Å²	73	116.9 Å²	116.9	51%	0.51	58%	0.581	S	S	.	*	H	α-helix	trans	-80.2	-44	177.4	-155.7	0	0	0	0	112.7	Y1512 F1516 N1517 D1518	Y1512-S1514 PolarHBondContact O-N 2.95Å; S1514-F1516 VanDerWaalsContact C-N 3.29Å; S1514-F1516 PolarHBondContact O-N 3.18Å; S1514-F1516 VanDerWaalsContact O-N 3.16Å; S1514-N1517 PolarHBondContact O-N 3.2Å; S1514-N1517 VanDerWaalsContact O-N 3.15Å; S1514-D1518 PolarHBondContact O-N 3.09Å; S1514-D1518 VanDerWaalsContact O-OD2 3.12Å; S1514-D1518 PolarHBondContact OG-OD2 3.03Å
1515	F	41	Very low	42.9	Very low	128.8 Å²	128.8	111.6 Å²	111.6	57%	0.565	56%	0.562	S	S	*	*	H	α-helix	trans	-57.8	-27.9	-174.8	-91.2	-80.1	0	0	0	114.1	G1511 N1517 D1518 H1519	G1511-F1515 WeakPolarHBondContact O-CE2 3.39Å; F1515-N1517 VanDerWaalsContact C-N 3.34Å; F1515-D1518 PolarHBondContact O-N 3.04Å; F1515-H1519 PolarHBondContact O-CD2 3.08Å; F1515-H1519 PolarHBondContact O-N 3.13Å
1516	F	45.7	Very low	44.3	Very low	90 Å²	90	109.6 Å²	109.6	40%	0.395	55%	0.551	S	S	.	*	H	α-helix	trans	-68.2	-39.7	177.9	-100.5	-79.7	0	0	0	113.3	M1405 Y1512 S1514 D1518 H1519 F1520 Y1597 N1598 L1600	M1405-F1516 HydrophobicContact CE-CE1 3.75Å; M1405-F1516 HydrophobicContact CE-CZ 3.72Å; M1405-F1516 HydrophobicContact SD-CE1 3.98Å; M1405-F1516 HydrophobicContact SD-CZ 3.71Å; Y1512-F1516 WeakPolarHBondContact O-CD2 3.24Å; S1514-F1516 VanDerWaalsContact C-N 3.29Å; S1514-F1516 PolarHBondContact O-N 3.18Å; S1514-F1516 VanDerWaalsContact O-N 3.16Å; F1516-D1518 VanDerWaalsContact C-N 3.32Å; F1516-D1518 PolarHBondContact O-N 3.34Å; F1516-H1519 PolarHBondContact O-N 2.91Å; F1516-F1520 HydrophobicContact CD1-CD2 4.45Å; F1516-F1520 HydrophobicContact CD1-CE2 4.17Å; F1516-F1520 HydrophobicContact CE1-CE2 4.2Å; F1516-F1520 VanDerWaalsContact O-CD2 3.26Å; F1516-F1520 WeakPolarHBondContact O-CD2 3.35Å; F1516-F1520 PolarHBondContact O-N 3.36Å; F1516-F1520 VanDerWaalsContact O-N 3.12Å; F1516-Y1597 HydrophobicContact CE1-CD1 4.02Å; F1516-Y1597 AromaticContact CE1-CE1 3.35Å; F1516-Y1597 HydrophobicContact CE1-CE1 3.35Å; F1516-Y1597 AromaticContact CE1-CE2 3.96Å; F1516-Y1597 HydrophobicContact CE1-CE2 3.96Å; F1516-Y1597 AromaticContact CE1-CZ 3.31Å; F1516-Y1597 WeakPolarHBondContact CE1-OH 3.39Å; F1516-Y1597 HydrophobicContact CZ-CD1 4.36Å; F1516-Y1597 AromaticContact CZ-CE1 3.33Å; F1516-Y1597 HydrophobicContact CZ-CE1 3.33Å; F1516-Y1597 HydrophobicContact CZ-CE2 4.34Å; F1516-Y1597 AromaticContact CZ-CZ 3.31Å; F1516-Y1597 WeakPolarHBondContact CZ-OH 3.39Å; F1516-N1598 HydrophobicContact CE1-CB 3.59Å; F1516-N1598 HydrophobicContact CE2-CB 3.63Å; F1516-N1598 HydrophobicContact CZ-CB 3.72Å; F1516-N1598 VanDerWaalsContact CZ-CB 3.49Å; F1516-N1598 WeakPolarHBondContact CZ-ND2 3.38Å; F1516-L1600 HydrophobicContact CE2-CD1 4.33Å; F1516-L1600 HydrophobicContact CZ-CD1 4.15Å
1517	N	50.1	Low	45.8	Very low	85 Å²	85	102.5 Å²	102.5	46%	0.455	52%	0.524	S	S	.	.	H	α-helix	trans	-70.3	-40.9	179.1	-80.4	-26.3	0	0	0	111.2	S1514 F1515 H1519 F1520 I1521	S1514-N1517 PolarHBondContact O-N 3.2Å; S1514-N1517 VanDerWaalsContact O-N 3.15Å; F1515-N1517 VanDerWaalsContact C-N 3.34Å; N1517-H1519 VanDerWaalsContact C-N 3.34Å; N1517-H1519 PolarHBondContact O-N 3.2Å; N1517-F1520 PolarHBondContact O-N 3.04Å; N1517-F1520 VanDerWaalsContact O-N 3.17Å; N1517-I1521 WeakPolarHBondContact O-CD1 3.45Å; N1517-I1521 VanDerWaalsContact O-CG1 3.3Å; N1517-I1521 WeakPolarHBondContact O-CG1 3.26Å; N1517-I1521 PolarHBondContact O-N 2.88Å; N1517-I1521 VanDerWaalsContact O-N 3.1Å
1518	D	48.6	Very low	47.1	Very low	68.2 Å²	68.2	97.9 Å²	97.9	37%	0.365	50%	0.498	S	S	.	.	H	α-helix	trans	-63.7	-40.6	-178.6	-61.9	-34.9	0	0	0	111.5	S1514 F1515 F1516 F1520 I1521 I1522	S1514-D1518 PolarHBondContact O-N 3.09Å; S1514-D1518 VanDerWaalsContact O-OD2 3.12Å; S1514-D1518 PolarHBondContact OG-OD2 3.03Å; F1515-D1518 PolarHBondContact O-N 3.04Å; F1516-D1518 VanDerWaalsContact C-N 3.32Å; F1516-D1518 PolarHBondContact O-N 3.34Å; D1518-F1520 PolarHBondContact O-N 3.02Å; D1518-I1521 PolarHBondContact O-N 3.04Å; D1518-I1522 WeakPolarHBondContact O-CB 3.4Å; D1518-I1522 WeakPolarHBondContact O-CD1 3.35Å; D1518-I1522 VanDerWaalsContact O-CG1 3.26Å; D1518-I1522 WeakPolarHBondContact O-CG1 3.4Å; D1518-I1522 PolarHBondContact O-N 3.16Å; D1518-I1522 VanDerWaalsContact O-N 3.11Å
1519	H	51.4	Low	48.5	Very low	97.6 Å²	97.6	91.2 Å²	91.2	45%	0.452	48%	0.479	S	S	.	.	H	α-helix	trans	-64.1	-39.6	175.7	-93.6	-63.3	0	0	0	113.5	F1515 F1516 N1517 I1521 I1522 I1523	F1515-H1519 PolarHBondContact O-CD2 3.08Å; F1515-H1519 PolarHBondContact O-N 3.13Å; F1516-H1519 PolarHBondContact O-N 2.91Å; N1517-H1519 VanDerWaalsContact C-N 3.34Å; N1517-H1519 PolarHBondContact O-N 3.2Å; H1519-I1521 VanDerWaalsContact C-N 3.33Å; H1519-I1521 PolarHBondContact O-N 3.31Å; H1519-I1522 PolarHBondContact O-N 3.19Å; H1519-I1523 WeakPolarHBondContact O-CB 3.38Å; H1519-I1523 WeakPolarHBondContact O-CD1 3.45Å; H1519-I1523 VanDerWaalsContact O-CG1 3.28Å; H1519-I1523 WeakPolarHBondContact O-CG1 3.38Å; H1519-I1523 PolarHBondContact O-N 3.2Å; H1519-I1523 VanDerWaalsContact O-N 3.09Å
1520	F	52	Low	50.1	Low	90.4 Å²	90.4	92.7 Å²	92.7	40%	0.396	47%	0.47	S	S	.	.	H	α-helix	trans	-65.1	-38.3	176.8	-100.9	-83.8	0	0	0	112.1	F1516 N1517 D1518 I1523 G1524 I1590 I1591 W1593 T1594 V1595	F1516-F1520 HydrophobicContact CD1-CD2 4.45Å; F1516-F1520 HydrophobicContact CD1-CE2 4.17Å; F1516-F1520 HydrophobicContact CE1-CE2 4.2Å; F1516-F1520 VanDerWaalsContact O-CD2 3.26Å; F1516-F1520 WeakPolarHBondContact O-CD2 3.35Å; F1516-F1520 PolarHBondContact O-N 3.36Å; F1516-F1520 VanDerWaalsContact O-N 3.12Å; N1517-F1520 PolarHBondContact O-N 3.04Å; N1517-F1520 VanDerWaalsContact O-N 3.17Å; D1518-F1520 PolarHBondContact O-N 3.02Å; F1520-I1523 PolarHBondContact O-N 3.24Å; F1520-G1524 PolarHBondContact O-N 3.21Å; F1520-G1524 VanDerWaalsContact O-N 3.07Å; F1520-I1590 HydrophobicContact CE1-CG2 4.04Å; F1520-I1591 HydrophobicContact CE1-CD1 4.02Å; F1520-I1591 HydrophobicContact CE1-CG1 3.86Å; F1520-I1591 HydrophobicContact CE1-CG2 4.14Å; F1520-I1591 HydrophobicContact CZ-CG2 4.19Å; F1520-W1593 HydrophobicContact CE1-CD2 4.29Å; F1520-W1593 HydrophobicContact CE1-CG 4.48Å; F1520-W1593 HydrophobicContact CE1-CZ2 4.42Å; F1520-W1593 AromaticContact CE1-NE1 4Å; F1520-W1593 HydrophobicContact CZ-CD2 4.4Å; F1520-W1593 AromaticContact CZ-CE2 3.7Å; F1520-W1593 HydrophobicContact CZ-CZ2 4.01Å; F1520-W1593 AromaticContact CZ-NE1 3.45Å; F1520-T1594 HydrophobicContact CE1-CG2 4.15Å; F1520-T1594 VanDerWaalsContact CE1-OG1 3.29Å; F1520-T1594 WeakPolarHBondContact CE1-OG1 3.28Å; F1520-T1594 HydrophobicContact CE2-CG2 4.49Å; F1520-T1594 HydrophobicContact CZ-CG2 3.86Å; F1520-T1594 VanDerWaalsContact CZ-OG1 3.23Å; F1520-T1594 WeakPolarHBondContact CZ-OG1 3.41Å; F1520-V1595 HydrophobicContact CZ-CG2 4.2Å
1521	I	54.7	Low	51.2	Low	76.6 Å²	76.6	83.9 Å²	83.9	39%	0.393	44%	0.442	S	S	.	.	H	α-helix	trans	-65.3	-45.7	175.5	-65.6	168	0	0	0	110.5	L1390 N1517 D1518 H1519 I1523 G1524 C1525	L1390-I1521 HydrophobicContact CD1-CG2 4.24Å; N1517-I1521 WeakPolarHBondContact O-CD1 3.45Å; N1517-I1521 VanDerWaalsContact O-CG1 3.3Å; N1517-I1521 WeakPolarHBondContact O-CG1 3.26Å; N1517-I1521 PolarHBondContact O-N 2.88Å; N1517-I1521 VanDerWaalsContact O-N 3.1Å; D1518-I1521 PolarHBondContact O-N 3.04Å; H1519-I1521 VanDerWaalsContact C-N 3.33Å; H1519-I1521 PolarHBondContact O-N 3.31Å; I1521-I1523 VanDerWaalsContact C-N 3.34Å; I1521-I1523 PolarHBondContact O-N 3.09Å; I1521-G1524 PolarHBondContact O-N 3.24Å; I1521-C1525 WeakPolarHBondContact O-CB 3.32Å; I1521-C1525 PolarHBondContact O-N 2.99Å; I1521-C1525 PolarHBondContact O-SG 3.01Å; I1521-C1525 VanDerWaalsContact O-SG 3.39Å
1522	I	56	Low	52.3	Low	77.8 Å²	77.8	84.5 Å²	84.5	40%	0.399	44%	0.435	S	S	.	.	H	α-helix	trans	-61.5	-44	179.2	-68.7	164.1	0	0	0	111.4	M1405 D1518 H1519 G1524 C1525 L1526	M1405-I1522 HydrophobicContact CE-CD1 3.8Å; M1405-I1522 HydrophobicContact SD-CD1 3.92Å; M1405-I1522 HydrophobicContact SD-CG1 4.4Å; D1518-I1522 WeakPolarHBondContact O-CB 3.4Å; D1518-I1522 WeakPolarHBondContact O-CD1 3.35Å; D1518-I1522 VanDerWaalsContact O-CG1 3.26Å; D1518-I1522 WeakPolarHBondContact O-CG1 3.4Å; D1518-I1522 PolarHBondContact O-N 3.16Å; D1518-I1522 VanDerWaalsContact O-N 3.11Å; H1519-I1522 PolarHBondContact O-N 3.19Å; I1522-G1524 PolarHBondContact O-N 3.49Å; I1522-C1525 PolarHBondContact O-N 2.97Å; I1522-L1526 HydrophobicContact CG2-CD1 4Å; I1522-L1526 WeakPolarHBondContact O-CB 3.28Å; I1522-L1526 WeakPolarHBondContact O-CG 3.15Å; I1522-L1526 PolarHBondContact O-N 3.07Å
1523	I	58.1	Low	53.5	Low	69.4 Å²	69.4	79.4 Å²	79.4	36%	0.356	42%	0.421	S	S	.	.	H	α-helix	trans	-65.5	-42	177.9	-70.2	164.2	0	0	0	111.2	H1519 F1520 I1521 C1525 L1526 S1527 I1590 W1593 T1594	H1519-I1523 WeakPolarHBondContact O-CB 3.38Å; H1519-I1523 WeakPolarHBondContact O-CD1 3.45Å; H1519-I1523 VanDerWaalsContact O-CG1 3.28Å; H1519-I1523 WeakPolarHBondContact O-CG1 3.38Å; H1519-I1523 PolarHBondContact O-N 3.2Å; H1519-I1523 VanDerWaalsContact O-N 3.09Å; F1520-I1523 PolarHBondContact O-N 3.24Å; I1521-I1523 VanDerWaalsContact C-N 3.34Å; I1521-I1523 PolarHBondContact O-N 3.09Å; I1523-C1525 VanDerWaalsContact C-N 3.33Å; I1523-C1525 PolarHBondContact O-N 2.63Å; I1523-L1526 PolarHBondContact O-N 3.14Å; I1523-S1527 PolarHBondContact O-N 3.08Å; I1523-S1527 VanDerWaalsContact O-N 3.09Å; I1523-I1590 HydrophobicContact CD1-CG2 4.3Å; I1523-I1590 HydrophobicContact CG2-CG2 4.15Å; I1523-W1593 HydrophobicContact CD1-CE3 4.38Å; I1523-W1593 HydrophobicContact CD1-CH2 3.89Å; I1523-W1593 HydrophobicContact CD1-CZ3 3.37Å; I1523-T1594 HydrophobicContact CD1-CG2 4.01Å
1524	G	55.8	Low	54.4	Low	27.4 Å²	27.4	79 Å²	79	28%	0.282	42%	0.417	S	S	.	.	H	α-helix	trans	-59.8	-46.7	174.3	0	0	0	0	0	112.6	F1520 I1521 I1522 L1526 S1527 M1528 H1587	F1520-G1524 PolarHBondContact O-N 3.21Å; F1520-G1524 VanDerWaalsContact O-N 3.07Å; I1521-G1524 PolarHBondContact O-N 3.24Å; I1522-G1524 PolarHBondContact O-N 3.49Å; G1524-L1526 VanDerWaalsContact C-N 3.34Å; G1524-L1526 PolarHBondContact O-N 2.97Å; G1524-S1527 PolarHBondContact O-N 3.06Å; G1524-S1527 PolarHBondContact O-OG 2.87Å; G1524-M1528 WeakPolarHBondContact O-CG 3.37Å; G1524-M1528 PolarHBondContact O-N 3.14Å; G1524-M1528 VanDerWaalsContact O-N 3.14Å; G1524-H1587 VanDerWaalsContact CA-NE2 3.35Å; G1524-H1587 WeakPolarHBondContact CA-NE2 3.43Å; G1524-H1587 PolarHBondContact O-NE2 2.72Å
1525	C	55.7	Low	55	Low	57.4 Å²	57.4	78.8 Å²	78.8	39%	0.388	41%	0.413	S	S	.	.	H	α-helix	trans	-62.6	-41.8	176.1	-72	0	0	0	0	112.5	I1521 I1522 I1523 S1527 M1528 L1529	I1521-C1525 WeakPolarHBondContact O-CB 3.32Å; I1521-C1525 PolarHBondContact O-N 2.99Å; I1521-C1525 PolarHBondContact O-SG 3.01Å; I1521-C1525 VanDerWaalsContact O-SG 3.39Å; I1522-C1525 PolarHBondContact O-N 2.97Å; I1523-C1525 VanDerWaalsContact C-N 3.33Å; I1523-C1525 PolarHBondContact O-N 2.63Å; C1525-S1527 VanDerWaalsContact C-N 3.33Å; C1525-S1527 PolarHBondContact O-N 3.19Å; C1525-M1528 PolarHBondContact O-N 3.11Å; C1525-L1529 WeakPolarHBondContact O-CB 3.41Å; C1525-L1529 PolarHBondContact O-N 3.24Å
1526	L	58.8	Low	55.8	Low	91 Å²	91	75.8 Å²	75.8	48%	0.476	41%	0.408	S	S	.	.	H	α-helix	trans	-61.4	-41.5	176.3	-95.6	151.3	0	0	0	112.2	I1522 I1523 G1524 M1528 L1529 I1530	I1522-L1526 HydrophobicContact CG2-CD1 4Å; I1522-L1526 WeakPolarHBondContact O-CB 3.28Å; I1522-L1526 WeakPolarHBondContact O-CG 3.15Å; I1522-L1526 PolarHBondContact O-N 3.07Å; I1523-L1526 PolarHBondContact O-N 3.14Å; G1524-L1526 VanDerWaalsContact C-N 3.34Å; G1524-L1526 PolarHBondContact O-N 2.97Å; L1526-M1528 VanDerWaalsContact C-N 3.35Å; L1526-M1528 PolarHBondContact O-N 2.94Å; L1526-L1529 WeakPolarHBondContact O-CB 3.31Å; L1526-L1529 PolarHBondContact O-N 3.04Å; L1526-I1530 HydrophobicContact CD2-CD1 4.44Å; L1526-I1530 HydrophobicContact CG-CD1 4.24Å; L1526-I1530 VanDerWaalsContact O-CG1 3.28Å; L1526-I1530 WeakPolarHBondContact O-CG1 3.36Å; L1526-I1530 PolarHBondContact O-N 3.23Å
1527	S	59.8	Low	56.2	Low	36.6 Å²	36.6	74.5 Å²	74.5	26%	0.256	41%	0.41	S	S	.	.	H	α-helix	trans	-62.2	-42.2	177.4	94.9	0	0	0	0	112.5	I1523 G1524 C1525 I1530 S1531 L1586 H1587	I1523-S1527 PolarHBondContact O-N 3.08Å; I1523-S1527 VanDerWaalsContact O-N 3.09Å; G1524-S1527 PolarHBondContact O-N 3.06Å; G1524-S1527 PolarHBondContact O-OG 2.87Å; C1525-S1527 VanDerWaalsContact C-N 3.33Å; C1525-S1527 PolarHBondContact O-N 3.19Å; S1527-I1530 PolarHBondContact O-N 3.04Å; S1527-S1531 WeakPolarHBondContact O-CB 3.23Å; S1527-S1531 PolarHBondContact O-N 3.22Å; S1527-S1531 VanDerWaalsContact O-N 3.09Å; S1527-L1586 WeakPolarHBondContact OG-CD2 3.37Å; S1527-H1587 VanDerWaalsContact CB-NE2 3.28Å; S1527-H1587 WeakPolarHBondContact CB-NE2 3.3Å; S1527-H1587 PolarHBondContact OG-CE1 2.64Å; S1527-H1587 VanDerWaalsContact OG-CE1 3.26Å; S1527-H1587 PolarHBondContact OG-NE2 3.02Å
1528	M	57.1	Low	56.5	Low	67.2 Å²	67.2	72.7 Å²	72.7	33%	0.331	41%	0.407	S	S	.	.	H	α-helix	trans	-66.5	-39	176.2	-71.5	-70.7	-87.7	0	0	111.8	A1397 G1524 C1525 L1526 S1531 T1532 I1583 F1584 F1641 L1642	A1397-M1528 HydrophobicContact CB-CE 3.98Å; A1397-M1528 HydrophobicContact CB-SD 4.39Å; G1524-M1528 WeakPolarHBondContact O-CG 3.37Å; G1524-M1528 PolarHBondContact O-N 3.14Å; G1524-M1528 VanDerWaalsContact O-N 3.14Å; C1525-M1528 PolarHBondContact O-N 3.11Å; L1526-M1528 VanDerWaalsContact C-N 3.35Å; L1526-M1528 PolarHBondContact O-N 2.94Å; M1528-S1531 PolarHBondContact O-N 3.18Å; M1528-T1532 WeakPolarHBondContact O-CB 3.44Å; M1528-T1532 WeakPolarHBondContact O-CG2 3.33Å; M1528-T1532 PolarHBondContact O-N 3.21Å; M1528-T1532 VanDerWaalsContact O-N 3.09Å; M1528-T1532 PolarHBondContact O-OG1 2.98Å; M1528-I1583 HydrophobicContact CG-CG2 4.46Å; M1528-I1583 HydrophobicContact SD-CB 3.66Å; M1528-I1583 HydrophobicContact SD-CG2 3.3Å; M1528-I1583 WeakPolarHBondContact SD-CG2 3.42Å; M1528-F1584 HydrophobicContact CE-CB 4.43Å; M1528-F1641 HydrophobicContact CB-CD1 3.82Å; M1528-F1641 HydrophobicContact CB-CE1 3.62Å; M1528-F1641 HydrophobicContact CE-CD2 4.43Å; M1528-F1641 HydrophobicContact CE-CE2 4.13Å; M1528-F1641 HydrophobicContact CE-CZ 4.03Å; M1528-F1641 HydrophobicContact SD-CE1 4.43Å; M1528-F1641 HydrophobicContact SD-CE2 3.75Å; M1528-F1641 HydrophobicContact SD-CZ 3.99Å; M1528-L1642 HydrophobicContact CE-CD1 4.09Å
1529	L	57.5	Low	56.6	Low	88.8 Å²	88.8	74 Å²	74	47%	0.465	41%	0.413	S	S	.	.	H	α-helix	trans	-65.7	-44.1	177.3	-145.8	154.6	0	0	0	111.5	C1525 L1526 S1531 T1532 I1533 F1641	C1525-L1529 WeakPolarHBondContact O-CB 3.41Å; C1525-L1529 PolarHBondContact O-N 3.24Å; L1526-L1529 WeakPolarHBondContact O-CB 3.31Å; L1526-L1529 PolarHBondContact O-N 3.04Å; L1529-S1531 PolarHBondContact O-N 3.34Å; L1529-T1532 WeakPolarHBondContact CA-OG1 3.26Å; L1529-T1532 PolarHBondContact O-N 3.18Å; L1529-T1532 PolarHBondContact O-OG1 3.11Å; L1529-T1532 VanDerWaalsContact O-OG1 3.05Å; L1529-I1533 HydrophobicContact CD2-CD1 3.57Å; L1529-I1533 VanDerWaalsContact CD2-CD1 3.5Å; L1529-I1533 HydrophobicContact CD2-CG1 4.18Å; L1529-I1533 HydrophobicContact CG-CD1 4.25Å; L1529-I1533 WeakPolarHBondContact O-CB 3.33Å; L1529-I1533 WeakPolarHBondContact O-CD1 3.46Å; L1529-I1533 VanDerWaalsContact O-CG1 3.26Å; L1529-I1533 WeakPolarHBondContact O-CG1 3.46Å; L1529-I1533 PolarHBondContact O-N 3.08Å; L1529-F1641 HydrophobicContact CB-CE1 4.24Å; L1529-F1641 HydrophobicContact CB-CE2 4.42Å; L1529-F1641 HydrophobicContact CB-CZ 3.58Å; L1529-F1641 HydrophobicContact CD1-CE2 4.09Å; L1529-F1641 HydrophobicContact CD1-CZ 3.96Å; L1529-F1641 HydrophobicContact CG-CZ 3.96Å
1530	I	61.8	Low	56.6	Low	101.6 Å²	101.6	76.9 Å²	76.9	52%	0.521	42%	0.421	S	S	.	.	H	α-helix	trans	-63.2	-44.6	176.4	-68.1	164.3	0	0	0	110.8	L1526 S1527 T1532 I1533 F1534	L1526-I1530 HydrophobicContact CD2-CD1 4.44Å; L1526-I1530 HydrophobicContact CG-CD1 4.24Å; L1526-I1530 VanDerWaalsContact O-CG1 3.28Å; L1526-I1530 WeakPolarHBondContact O-CG1 3.36Å; L1526-I1530 PolarHBondContact O-N 3.23Å; S1527-I1530 PolarHBondContact O-N 3.04Å; I1530-T1532 VanDerWaalsContact C-N 3.3Å; I1530-T1532 PolarHBondContact O-N 3.15Å; I1530-I1533 PolarHBondContact O-N 3.3Å; I1530-F1534 HydrophobicContact CG2-CD2 4Å; I1530-F1534 HydrophobicContact CG2-CE2 4.34Å; I1530-F1534 WeakPolarHBondContact O-CB 3.31Å; I1530-F1534 PolarHBondContact O-N 3.22Å; I1530-F1534 VanDerWaalsContact O-N 3.09Å
1531	S	57.7	Low	56.5	Low	44.4 Å²	44.4	81.7 Å²	81.7	31%	0.31	44%	0.437	S	S	.	.	H	α-helix	trans	-62.5	-40.3	178	-172	0	0	0	0	112.7	S1527 M1528 L1529 F1534 T1535	S1527-S1531 WeakPolarHBondContact O-CB 3.23Å; S1527-S1531 PolarHBondContact O-N 3.22Å; S1527-S1531 VanDerWaalsContact O-N 3.09Å; M1528-S1531 PolarHBondContact O-N 3.18Å; L1529-S1531 PolarHBondContact O-N 3.34Å; S1531-F1534 PolarHBondContact O-N 3.14Å; S1531-T1535 WeakPolarHBondContact O-CB 3.45Å; S1531-T1535 WeakPolarHBondContact O-CG2 3.39Å; S1531-T1535 PolarHBondContact O-N 3.15Å; S1531-T1535 VanDerWaalsContact O-N 3.11Å; S1531-T1535 PolarHBondContact O-OG1 2.95Å; S1531-T1535 VanDerWaalsContact O-OG1 3.08Å
1532	T	57.5	Low	56.4	Low	65 Å²	65	82.7 Å²	82.7	40%	0.399	44%	0.442	S	S	.	.	H	α-helix	trans	-73	-36.9	178.6	35.8	0	0	0	0	112.6	M1528 L1529 I1530 F1534 T1535 S1536 A1645	M1528-T1532 WeakPolarHBondContact O-CB 3.44Å; M1528-T1532 WeakPolarHBondContact O-CG2 3.33Å; M1528-T1532 PolarHBondContact O-N 3.21Å; M1528-T1532 VanDerWaalsContact O-N 3.09Å; M1528-T1532 PolarHBondContact O-OG1 2.98Å; L1529-T1532 WeakPolarHBondContact CA-OG1 3.26Å; L1529-T1532 PolarHBondContact O-N 3.18Å; L1529-T1532 PolarHBondContact O-OG1 3.11Å; L1529-T1532 VanDerWaalsContact O-OG1 3.05Å; I1530-T1532 VanDerWaalsContact C-N 3.3Å; I1530-T1532 PolarHBondContact O-N 3.15Å; T1532-F1534 VanDerWaalsContact C-N 3.3Å; T1532-F1534 PolarHBondContact O-N 2.8Å; T1532-T1535 WeakPolarHBondContact CA-OG1 3.36Å; T1532-T1535 PolarHBondContact O-N 3.31Å; T1532-T1535 PolarHBondContact O-OG1 3.28Å; T1532-T1535 VanDerWaalsContact O-OG1 3.11Å; T1532-S1536 VanDerWaalsContact O-CB 3.24Å; T1532-S1536 WeakPolarHBondContact O-CB 3.41Å; T1532-S1536 PolarHBondContact O-N 3.25Å; T1532-S1536 PolarHBondContact O-OG 2.75Å; T1532-A1645 HydrophobicContact CG2-CB 4.17Å
1533	I	60.3	Low	56	Low	91 Å²	91	83.8 Å²	83.8	47%	0.467	45%	0.449	S	S	.	.	H	α-helix	trans	-63.2	-45	171.9	-71.2	171.1	0	0	0	110.8	L1529 I1530 T1535 S1536 S1537	L1529-I1533 HydrophobicContact CD2-CD1 3.57Å; L1529-I1533 VanDerWaalsContact CD2-CD1 3.5Å; L1529-I1533 HydrophobicContact CD2-CG1 4.18Å; L1529-I1533 HydrophobicContact CG-CD1 4.25Å; L1529-I1533 WeakPolarHBondContact O-CB 3.33Å; L1529-I1533 WeakPolarHBondContact O-CD1 3.46Å; L1529-I1533 VanDerWaalsContact O-CG1 3.26Å; L1529-I1533 WeakPolarHBondContact O-CG1 3.46Å; L1529-I1533 PolarHBondContact O-N 3.08Å; I1530-I1533 PolarHBondContact O-N 3.3Å; I1533-T1535 PolarHBondContact O-N 3.21Å; I1533-S1536 WeakPolarHBondContact O-CB 3.45Å; I1533-S1536 PolarHBondContact O-N 3.06Å; I1533-S1537 VanDerWaalsContact O-CB 3.27Å; I1533-S1537 WeakPolarHBondContact O-CB 3.36Å; I1533-S1537 PolarHBondContact O-N 2.98Å; I1533-S1537 PolarHBondContact O-OG 3.24Å; I1533-S1537 VanDerWaalsContact O-OG 3.07Å
1534	F	58.5	Low	55.4	Low	132.8 Å²	132.8	83.1 Å²	83.1	58%	0.582	45%	0.447	S	S	*	.	H	α-helix	trans	-67.1	-41.7	-177.9	-133.6	-87.6	0	0	0	112.4	I1530 S1531 T1532 S1536 S1537 A1538 T1575 I1579	I1530-F1534 HydrophobicContact CG2-CD2 4Å; I1530-F1534 HydrophobicContact CG2-CE2 4.34Å; I1530-F1534 WeakPolarHBondContact O-CB 3.31Å; I1530-F1534 PolarHBondContact O-N 3.22Å; I1530-F1534 VanDerWaalsContact O-N 3.09Å; S1531-F1534 PolarHBondContact O-N 3.14Å; T1532-F1534 VanDerWaalsContact C-N 3.3Å; T1532-F1534 PolarHBondContact O-N 2.8Å; F1534-S1536 VanDerWaalsContact C-N 3.3Å; F1534-S1536 PolarHBondContact O-N 2.78Å; F1534-S1537 PolarHBondContact O-N 3.14Å; F1534-S1537 PolarHBondContact O-OG 2.89Å; F1534-A1538 WeakPolarHBondContact O-CB 3.27Å; F1534-A1538 PolarHBondContact O-N 2.95Å; F1534-T1575 HydrophobicContact CD1-CG2 4.45Å; F1534-I1579 HydrophobicContact CB-CD1 3.98Å; F1534-I1579 HydrophobicContact CD1-CD1 4.1Å; F1534-I1579 HydrophobicContact CG-CD1 4.15Å
1535	T	57.5	Low	54.9	Low	68.6 Å²	68.6	89.5 Å²	89.5	42%	0.421	47%	0.467	S	S	.	.	H	α-helix	trans	-65.2	-40.1	175	46.7	0	0	0	0	112.4	S1531 T1532 I1533 A1538 L1539 I1579	S1531-T1535 WeakPolarHBondContact O-CB 3.45Å; S1531-T1535 WeakPolarHBondContact O-CG2 3.39Å; S1531-T1535 PolarHBondContact O-N 3.15Å; S1531-T1535 VanDerWaalsContact O-N 3.11Å; S1531-T1535 PolarHBondContact O-OG1 2.95Å; S1531-T1535 VanDerWaalsContact O-OG1 3.08Å; T1532-T1535 WeakPolarHBondContact CA-OG1 3.36Å; T1532-T1535 PolarHBondContact O-N 3.31Å; T1532-T1535 PolarHBondContact O-OG1 3.28Å; T1532-T1535 VanDerWaalsContact O-OG1 3.11Å; I1533-T1535 PolarHBondContact O-N 3.21Å; T1535-A1538 PolarHBondContact O-N 3.09Å; T1535-L1539 WeakPolarHBondContact O-CD1 3.2Å; T1535-L1539 VanDerWaalsContact O-CG 3.3Å; T1535-L1539 WeakPolarHBondContact O-CG 3.31Å; T1535-L1539 PolarHBondContact O-N 2.97Å; T1535-L1539 VanDerWaalsContact O-N 3.07Å; T1535-I1579 HydrophobicContact CG2-CD1 3.93Å
1536	S	56.3	Low	54.3	Low	65.8 Å²	65.8	92.8 Å²	92.8	46%	0.46	48%	0.475	S	S	.	.	H	α-helix	trans	-63.5	-43	173.6	-157.9	0	0	0	0	112.3	T1532 I1533 F1534 A1538 L1539 Y1540	T1532-S1536 VanDerWaalsContact O-CB 3.24Å; T1532-S1536 WeakPolarHBondContact O-CB 3.41Å; T1532-S1536 PolarHBondContact O-N 3.25Å; T1532-S1536 PolarHBondContact O-OG 2.75Å; I1533-S1536 WeakPolarHBondContact O-CB 3.45Å; I1533-S1536 PolarHBondContact O-N 3.06Å; F1534-S1536 VanDerWaalsContact C-N 3.3Å; F1534-S1536 PolarHBondContact O-N 2.78Å; S1536-A1538 VanDerWaalsContact C-N 3.34Å; S1536-A1538 PolarHBondContact O-N 3.04Å; S1536-L1539 WeakPolarHBondContact O-CB 3.21Å; S1536-L1539 PolarHBondContact O-N 3.15Å; S1536-L1539 VanDerWaalsContact O-N 3.16Å; S1536-Y1540 WeakPolarHBondContact O-CB 3.36Å; S1536-Y1540 PolarHBondContact O-N 3.25Å; S1536-Y1540 VanDerWaalsContact O-N 3.16Å
1537	S	56	Low	53.7	Low	61.8 Å²	61.8	95.7 Å²	95.7	43%	0.432	49%	0.486	S	S	.	.	H	α-helix	trans	-64.5	-37.1	177.8	-18.9	0	0	0	0	112.9	I1533 F1534 Y1540 R1541	I1533-S1537 VanDerWaalsContact O-CB 3.27Å; I1533-S1537 WeakPolarHBondContact O-CB 3.36Å; I1533-S1537 PolarHBondContact O-N 2.98Å; I1533-S1537 PolarHBondContact O-OG 3.24Å; I1533-S1537 VanDerWaalsContact O-OG 3.07Å; F1534-S1537 PolarHBondContact O-N 3.14Å; F1534-S1537 PolarHBondContact O-OG 2.89Å; S1537-Y1540 PolarHBondContact O-N 3.08Å; S1537-R1541 WeakPolarHBondContact O-CB 3.42Å; S1537-R1541 PolarHBondContact O-N 3.13Å; S1537-R1541 VanDerWaalsContact O-N 3.11Å
1538	A	55.1	Low	52.9	Low	47 Å²	47	102.6 Å²	102.6	39%	0.388	51%	0.512	S	S	.	.	H	α-helix	trans	-63.9	-43.5	174.6	0	0	0	0	0	111.6	F1534 T1535 S1536 Y1540 R1541 I1542	F1534-A1538 WeakPolarHBondContact O-CB 3.27Å; F1534-A1538 PolarHBondContact O-N 2.95Å; T1535-A1538 PolarHBondContact O-N 3.09Å; S1536-A1538 VanDerWaalsContact C-N 3.34Å; S1536-A1538 PolarHBondContact O-N 3.04Å; A1538-Y1540 VanDerWaalsContact C-N 3.33Å; A1538-Y1540 PolarHBondContact O-N 3.43Å; A1538-R1541 PolarHBondContact O-N 3.3Å; A1538-I1542 WeakPolarHBondContact O-CD1 3.46Å; A1538-I1542 WeakPolarHBondContact O-CG1 3.42Å; A1538-I1542 PolarHBondContact O-N 2.97Å
1539	L	51.9	Low	52.2	Low	95.2 Å²	95.2	104.5 Å²	104.5	50%	0.498	52%	0.523	S	S	.	.	H	α-helix	trans	-63.8	-42.4	175.7	-84.5	150.9	0	0	0	112.1	T1535 S1536 R1541 I1542 N1543 T1571	T1535-L1539 WeakPolarHBondContact O-CD1 3.2Å; T1535-L1539 VanDerWaalsContact O-CG 3.3Å; T1535-L1539 WeakPolarHBondContact O-CG 3.31Å; T1535-L1539 PolarHBondContact O-N 2.97Å; T1535-L1539 VanDerWaalsContact O-N 3.07Å; S1536-L1539 WeakPolarHBondContact O-CB 3.21Å; S1536-L1539 PolarHBondContact O-N 3.15Å; S1536-L1539 VanDerWaalsContact O-N 3.16Å; L1539-R1541 VanDerWaalsContact C-N 3.32Å; L1539-R1541 PolarHBondContact O-N 3.2Å; L1539-I1542 WeakPolarHBondContact O-CB 3.3Å; L1539-I1542 PolarHBondContact O-N 3.28Å; L1539-I1542 VanDerWaalsContact O-N 3.15Å; L1539-N1543 PolarHBondContact O-N 2.91Å; L1539-N1543 VanDerWaalsContact O-N 3.1Å; L1539-T1571 HydrophobicContact CD1-CG2 3.67Å; L1539-T1571 HydrophobicContact CD2-CG2 3.54Å; L1539-T1571 HydrophobicContact CG-CG2 4.26Å
1540	Y	50.6	Low	51.6	Low	158.8 Å²	158.8	104.9 Å²	104.9	62%	0.623	53%	0.529	S	S	*	.	H	α-helix	trans	-63.2	-37.7	177.9	-171.8	-98.9	0	0	0	112.8	S1536 S1537 A1538 I1542 N1543 T1544	S1536-Y1540 WeakPolarHBondContact O-CB 3.36Å; S1536-Y1540 PolarHBondContact O-N 3.25Å; S1536-Y1540 VanDerWaalsContact O-N 3.16Å; S1537-Y1540 PolarHBondContact O-N 3.08Å; A1538-Y1540 VanDerWaalsContact C-N 3.33Å; A1538-Y1540 PolarHBondContact O-N 3.43Å; Y1540-I1542 VanDerWaalsContact C-N 3.3Å; Y1540-I1542 PolarHBondContact O-N 3.35Å; Y1540-N1543 PolarHBondContact O-N 2.96Å; Y1540-T1544 HydrophobicContact CD1-CG2 4.12Å; Y1540-T1544 HydrophobicContact CD2-CG2 4.48Å; Y1540-T1544 HydrophobicContact CE1-CG2 3.65Å; Y1540-T1544 HydrophobicContact CE2-CG2 4.07Å; Y1540-T1544 HydrophobicContact CG-CG2 4.48Å; Y1540-T1544 WeakPolarHBondContact O-CG2 3.26Å; Y1540-T1544 PolarHBondContact O-N 3.17Å; Y1540-T1544 VanDerWaalsContact O-N 3.11Å; Y1540-T1544 PolarHBondContact O-OG1 3.11Å; Y1540-T1544 VanDerWaalsContact O-OG1 3.1Å
1541	R	49.6	Very low	50.8	Low	191.8 Å²	191.8	107 Å²	107	72%	0.724	54%	0.541	S	S	*	.	H	α-helix	trans	-67.9	-25.3	175.4	-116.1	-174.8	-175.5	-157.8	2	113.7	S1537 A1538 L1539 T1544 K1545	S1537-R1541 WeakPolarHBondContact O-CB 3.42Å; S1537-R1541 PolarHBondContact O-N 3.13Å; S1537-R1541 VanDerWaalsContact O-N 3.11Å; A1538-R1541 PolarHBondContact O-N 3.3Å; L1539-R1541 VanDerWaalsContact C-N 3.32Å; L1539-R1541 PolarHBondContact O-N 3.2Å; R1541-T1544 WeakPolarHBondContact CA-OG1 3.38Å; R1541-T1544 PolarHBondContact O-OG1 2.97Å; R1541-K1545 PolarHBondContact O-N 3.1Å
1542	I	52.3	Low	50.1	Low	97.4 Å²	97.4	110.8 Å²	110.8	50%	0.499	56%	0.557	S	S	.	*	H	α-helix	trans	-75.1	-43.6	175.2	-67.2	163.9	0	0	0	110.2	A1538 L1539 Y1540 T1544 K1545 M1568	A1538-I1542 WeakPolarHBondContact O-CD1 3.46Å; A1538-I1542 WeakPolarHBondContact O-CG1 3.42Å; A1538-I1542 PolarHBondContact O-N 2.97Å; L1539-I1542 WeakPolarHBondContact O-CB 3.3Å; L1539-I1542 PolarHBondContact O-N 3.28Å; L1539-I1542 VanDerWaalsContact O-N 3.15Å; Y1540-I1542 VanDerWaalsContact C-N 3.3Å; Y1540-I1542 PolarHBondContact O-N 3.35Å; I1542-T1544 PolarHBondContact O-N 3.02Å; I1542-K1545 PolarHBondContact O-N 2.95Å; I1542-M1568 HydrophobicContact CD1-CG 4.17Å; I1542-M1568 HydrophobicContact CD1-SD 3.68Å; I1542-M1568 HydrophobicContact CG2-CE 3.86Å
1543	N	47.9	Very low	49.3	Very low	101.2 Å²	101.2	114.5 Å²	114.5	54%	0.541	58%	0.575	S	S	.	*	H	α-helix	trans	-67.8	-42.9	-180	-105.6	4.2	0	0	0	112.8	L1539 Y1540 K1545 K1546	L1539-N1543 PolarHBondContact O-N 2.91Å; L1539-N1543 VanDerWaalsContact O-N 3.1Å; Y1540-N1543 PolarHBondContact O-N 2.96Å; N1543-K1545 VanDerWaalsContact C-N 3.28Å; N1543-K1545 PolarHBondContact O-N 3.2Å; N1543-K1546 VanDerWaalsContact O-CB 3.3Å; N1543-K1546 WeakPolarHBondContact O-CB 3.41Å; N1543-K1546 PolarHBondContact O-N 3.22Å; N1543-K1546 VanDerWaalsContact O-N 3.07Å
1544	T	46.2	Very low	48.5	Very low	53.6 Å²	53.6	117.6 Å²	117.6	33%	0.329	59%	0.587	S	S	.	*	H	α-helix	trans	-66.6	-19.9	-176.5	45.3	0	0	0	0	114.8	Y1540 R1541 I1542 K1546	Y1540-T1544 HydrophobicContact CD1-CG2 4.12Å; Y1540-T1544 HydrophobicContact CD2-CG2 4.48Å; Y1540-T1544 HydrophobicContact CE1-CG2 3.65Å; Y1540-T1544 HydrophobicContact CE2-CG2 4.07Å; Y1540-T1544 HydrophobicContact CG-CG2 4.48Å; Y1540-T1544 WeakPolarHBondContact O-CG2 3.26Å; Y1540-T1544 PolarHBondContact O-N 3.17Å; Y1540-T1544 VanDerWaalsContact O-N 3.11Å; Y1540-T1544 PolarHBondContact O-OG1 3.11Å; Y1540-T1544 VanDerWaalsContact O-OG1 3.1Å; R1541-T1544 WeakPolarHBondContact CA-OG1 3.38Å; R1541-T1544 PolarHBondContact O-OG1 2.97Å; I1542-T1544 PolarHBondContact O-N 3.02Å; T1544-K1546 VanDerWaalsContact C-N 3.31Å; T1544-K1546 PolarHBondContact O-N 2.97Å
1545	K	44.9	Very low	47.7	Very low	162 Å²	162	118.5 Å²	118.5	70%	0.704	60%	0.598	S	S	*	*	H	α-helix	trans	-78.2	-20	170.2	-83	-166.8	172.3	-169.9	0	113.7	R1541 I1542 N1543 K1548	R1541-K1545 PolarHBondContact O-N 3.1Å; I1542-K1545 PolarHBondContact O-N 2.95Å; N1543-K1545 VanDerWaalsContact C-N 3.28Å; N1543-K1545 PolarHBondContact O-N 3.2Å; K1545-K1548 PolarHBondContact O-N 3.05Å
1546	K	43.5	Very low	47.1	Very low	126.2 Å²	126.2	122.9 Å²	122.9	55%	0.549	61%	0.614	S	S	.	*	H	α-helix	trans	-76.4	-32.2	-177.3	-141.5	179.2	-179.2	-176.1	0	112.7	N1543 T1544 K1548 L1549	N1543-K1546 VanDerWaalsContact O-CB 3.3Å; N1543-K1546 WeakPolarHBondContact O-CB 3.41Å; N1543-K1546 PolarHBondContact O-N 3.22Å; N1543-K1546 VanDerWaalsContact O-N 3.07Å; T1544-K1546 VanDerWaalsContact C-N 3.31Å; T1544-K1546 PolarHBondContact O-N 2.97Å; K1546-K1548 VanDerWaalsContact C-N 3.3Å; K1546-K1548 PolarHBondContact O-N 2.92Å; K1546-K1548 VanDerWaalsContact O-N 3.15Å; K1546-L1549 PolarHBondContact O-N 3.34Å
1547	E	45.9	Very low	46.4	Very low	152.6 Å²	152.6	124.1 Å²	124.1	71%	0.713	61%	0.609	S	S	*	*	H	α-helix	trans	-80.3	-21	-178.7	-132.4	174.3	-172.4	0	0	113.7	T1550 K1663	E1547-T1550 PolarHBondContact O-OG1 3.17Å; E1547-K1663 IonicContact OE1-NZ 3.27Å
1548	K	42.6	Very low	45.7	Very low	182.4 Å²	182.4	128 Å²	128	79%	0.793	62%	0.622	S	S	*	*	S	Bend	trans	-88.9	-4.3	176.3	-90.7	-168	173.7	-170.7	0	114.9	K1545 K1546	K1545-K1548 PolarHBondContact O-N 3.05Å; K1546-K1548 VanDerWaalsContact C-N 3.3Å; K1546-K1548 PolarHBondContact O-N 2.92Å; K1546-K1548 VanDerWaalsContact O-N 3.15Å
1549	L	42	Very low	45.3	Very low	106.8 Å²	106.8	132.4 Å²	132.4	56%	0.559	64%	0.638	S	S	*	*	S	Bend	trans	-108.4	1.5	-172.7	-146.7	72	0	0	0	113.9	K1546 N1551 Y1557	K1546-L1549 PolarHBondContact O-N 3.34Å; L1549-N1551 PolarHBondContact O-N 2.95Å; L1549-N1551 VanDerWaalsContact O-N 3.08Å; L1549-Y1557 HydrophobicContact CD2-CE1 3.86Å; L1549-Y1557 HydrophobicContact CG-CE1 3.99Å; L1549-Y1557 WeakPolarHBondContact O-CE2 3.46Å; L1549-Y1557 PolarHBondContact O-OH 3.34Å
1550	T	46.2	Very low	45.1	Very low	96 Å²	96	131.5 Å²	131.5	59%	0.589	64%	0.639	S	S	*	*	S	Bend	trans	-83.1	-8.2	-176.8	47.3	0	0	0	0	114.9	E1547	E1547-T1550 PolarHBondContact O-OG1 3.17Å
1551	N	44.7	Very low	44.9	Very low	146.2 Å²	146.2	130.5 Å²	130.5	78%	0.782	64%	0.635	S	S	*	*	S	Bend	trans	-111.3	30	-173.5	-72.1	2.4	0	0	0	113.5	L1549	L1549-N1551 PolarHBondContact O-N 2.95Å; L1549-N1551 VanDerWaalsContact O-N 3.08Å
1552	L	43.3	Very low	44.8	Very low	124.2 Å²	124.2	125.1 Å²	125.1	65%	0.65	62%	0.621	S	S	*	*	S	Bend	trans	-137.3	116.5	175.9	-93.5	147.2	0	0	0	112.9	Y1557	L1552-Y1557 HydrophobicContact CB-CD2 4.25Å; L1552-Y1557 HydrophobicContact CB-CE2 4.49Å; L1552-Y1557 WeakPolarHBondContact O-CD2 3.31Å; L1552-Y1557 VanDerWaalsContact O-CE2 3.23Å; L1552-Y1557 WeakPolarHBondContact O-CE2 3.43Å; L1552-Y1557 PolarHBondContact O-OH 3.48Å
1553	N	41.1	Very low	44.5	Very low	142.2 Å²	142.2	125.4 Å²	125.4	76%	0.76	62%	0.621	S	S	*	*			trans	-38.1	118.6	174.7	-78	-22.1	0	0	0	115.8	N1555 E1556 Y1557	N1553-N1555 VanDerWaalsContact C-N 3.27Å; N1553-N1555 PolarHBondContact O-N 3.2Å; N1553-E1556 PolarHBondContact O-N 2.88Å; N1553-E1556 VanDerWaalsContact O-N 3.17Å; N1553-Y1557 WeakPolarHBondContact O-CD2 3.31Å; N1553-Y1557 WeakPolarHBondContact O-CE2 3.37Å; N1553-Y1557 PolarHBondContact O-N 2.93Å; N1553-Y1557 VanDerWaalsContact O-N 3.14Å
1554	H	41.8	Very low	44.3	Very low	156.8 Å²	156.8	122.6 Å²	122.6	73%	0.726	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-2.2	-170.6	-127.7	-32.1	0	0	0	116.2	N1305 Y1557	N1305-H1554 PolarHBondContact ND2-NE2 3.2Å; H1554-Y1557 VanDerWaalsContact C-CD2 3.48Å; H1554-Y1557 WeakPolarHBondContact O-CB 3.43Å
1555	N	42.8	Very low	44.5	Very low	152.8 Å²	152.8	123.8 Å²	123.8	82%	0.817	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	-19.4	-172.1	-77.2	-9.8	0	0	0	114.8	N1553 Y1557	N1553-N1555 VanDerWaalsContact C-N 3.27Å; N1553-N1555 PolarHBondContact O-N 3.2Å; N1555-Y1557 VanDerWaalsContact C-N 3.29Å; N1555-Y1557 PolarHBondContact O-N 2.94Å
1556	E	44.9	Very low	44.4	Very low	160 Å²	160	121.1 Å²	121.1	75%	0.748	61%	0.608	S	S	*	*	S	Bend	trans	-79.2	-19.2	173.9	-67.9	-170.3	137.1	0	0	114.3	N1553 M1558 I1559 S1560	N1553-E1556 PolarHBondContact O-N 2.88Å; N1553-E1556 VanDerWaalsContact O-N 3.17Å; E1556-M1558 VanDerWaalsContact C-N 3.31Å; E1556-M1558 PolarHBondContact O-N 3.08Å; E1556-I1559 PolarHBondContact O-N 3.18Å; E1556-S1560 VanDerWaalsContact O-CB 3.29Å; E1556-S1560 WeakPolarHBondContact O-CB 3.24Å; E1556-S1560 PolarHBondContact O-N 2.87Å
1557	Y	41.1	Very low	44.5	Very low	90.2 Å²	90.2	122.9 Å²	122.9	35%	0.354	61%	0.612	S	S	.	*	H	α-helix	trans	-71.3	-19.9	-168.9	-93.2	-92.2	0	0	0	115.1	L1549 L1552 N1553 H1554 N1555 I1559 S1560 Y1561	L1549-Y1557 HydrophobicContact CD2-CE1 3.86Å; L1549-Y1557 HydrophobicContact CG-CE1 3.99Å; L1549-Y1557 WeakPolarHBondContact O-CE2 3.46Å; L1549-Y1557 PolarHBondContact O-OH 3.34Å; L1552-Y1557 HydrophobicContact CB-CD2 4.25Å; L1552-Y1557 HydrophobicContact CB-CE2 4.49Å; L1552-Y1557 WeakPolarHBondContact O-CD2 3.31Å; L1552-Y1557 VanDerWaalsContact O-CE2 3.23Å; L1552-Y1557 WeakPolarHBondContact O-CE2 3.43Å; L1552-Y1557 PolarHBondContact O-OH 3.48Å; N1553-Y1557 WeakPolarHBondContact O-CD2 3.31Å; N1553-Y1557 WeakPolarHBondContact O-CE2 3.37Å; N1553-Y1557 PolarHBondContact O-N 2.93Å; N1553-Y1557 VanDerWaalsContact O-N 3.14Å; H1554-Y1557 VanDerWaalsContact C-CD2 3.48Å; H1554-Y1557 WeakPolarHBondContact O-CB 3.43Å; N1555-Y1557 VanDerWaalsContact C-N 3.29Å; N1555-Y1557 PolarHBondContact O-N 2.94Å; Y1557-I1559 PolarHBondContact O-N 3.19Å; Y1557-S1560 PolarHBondContact O-N 2.98Å; Y1557-Y1561 AromaticContact CD1-CD2 3.87Å; Y1557-Y1561 HydrophobicContact CD1-CD2 3.87Å; Y1557-Y1561 AromaticContact CD1-CE2 3.93Å; Y1557-Y1561 HydrophobicContact CD1-CE2 4.13Å; Y1557-Y1561 AromaticContact CE1-CD2 3.94Å; Y1557-Y1561 HydrophobicContact CE1-CD2 3.94Å; Y1557-Y1561 AromaticContact CE1-CE2 3.51Å; Y1557-Y1561 HydrophobicContact CE1-CE2 3.51Å; Y1557-Y1561 HydrophobicContact CG-CE2 4.49Å; Y1557-Y1561 VanDerWaalsContact O-CB 3.25Å; Y1557-Y1561 WeakPolarHBondContact O-CB 3.16Å; Y1557-Y1561 WeakPolarHBondContact O-CD2 3.35Å; Y1557-Y1561 PolarHBondContact O-N 3.27Å
1558	M	41.5	Very low	44.6	Very low	145.4 Å²	145.4	121.1 Å²	121.1	72%	0.716	61%	0.605	S	S	*	*	H	α-helix	trans	-65.7	-37.6	-179.1	-103	-117.2	68.2	0	0	113.3	E1556 Y1561 D1562	E1556-M1558 VanDerWaalsContact C-N 3.31Å; E1556-M1558 PolarHBondContact O-N 3.08Å; M1558-Y1561 PolarHBondContact O-N 2.77Å; M1558-D1562 PolarHBondContact O-N 3.43Å
1559	I	47.3	Very low	45	Very low	139.6 Å²	139.6	115.6 Å²	115.6	72%	0.716	58%	0.584	S	S	*	*	H	α-helix	trans	-74.2	-39.5	-177.6	-59.1	175.3	0	0	0	110.8	E1556 Y1557 Y1561 M1563	E1556-I1559 PolarHBondContact O-N 3.18Å; Y1557-I1559 PolarHBondContact O-N 3.19Å; I1559-Y1561 VanDerWaalsContact C-N 3.32Å; I1559-Y1561 PolarHBondContact O-N 3.27Å; I1559-M1563 WeakPolarHBondContact O-CG 3.41Å; I1559-M1563 PolarHBondContact O-N 3.15Å
1560	S	47.1	Very low	45.4	Very low	75.6 Å²	75.6	115.4 Å²	115.4	53%	0.529	58%	0.582	S	S	.	*	H	α-helix	trans	-71.6	-26.8	178.6	-168	0	0	0	0	113.4	E1556 Y1557 G1564	E1556-S1560 VanDerWaalsContact O-CB 3.29Å; E1556-S1560 WeakPolarHBondContact O-CB 3.24Å; E1556-S1560 PolarHBondContact O-N 2.87Å; Y1557-S1560 PolarHBondContact O-N 2.98Å; S1560-G1564 WeakPolarHBondContact O-CA 3.26Å; S1560-G1564 PolarHBondContact O-N 3.29Å
1561	Y	46.9	Very low	45.8	Very low	137.2 Å²	137.2	113.5 Å²	113.5	54%	0.538	57%	0.571	S	S	.	*	H	α-helix	trans	-71.7	-40.7	178.7	-104.1	-100.2	0	0	0	112.7	Y1557 M1558 I1559 M1563 G1564 I1565	Y1557-Y1561 AromaticContact CD1-CD2 3.87Å; Y1557-Y1561 HydrophobicContact CD1-CD2 3.87Å; Y1557-Y1561 AromaticContact CD1-CE2 3.93Å; Y1557-Y1561 HydrophobicContact CD1-CE2 4.13Å; Y1557-Y1561 AromaticContact CE1-CD2 3.94Å; Y1557-Y1561 HydrophobicContact CE1-CD2 3.94Å; Y1557-Y1561 AromaticContact CE1-CE2 3.51Å; Y1557-Y1561 HydrophobicContact CE1-CE2 3.51Å; Y1557-Y1561 HydrophobicContact CG-CE2 4.49Å; Y1557-Y1561 VanDerWaalsContact O-CB 3.25Å; Y1557-Y1561 WeakPolarHBondContact O-CB 3.16Å; Y1557-Y1561 WeakPolarHBondContact O-CD2 3.35Å; Y1557-Y1561 PolarHBondContact O-N 3.27Å; M1558-Y1561 PolarHBondContact O-N 2.77Å; I1559-Y1561 VanDerWaalsContact C-N 3.32Å; I1559-Y1561 PolarHBondContact O-N 3.27Å; Y1561-M1563 PolarHBondContact O-N 3.41Å; Y1561-G1564 PolarHBondContact O-N 3.14Å; Y1561-G1564 VanDerWaalsContact O-N 3.17Å; Y1561-I1565 HydrophobicContact CD1-CD1 3.81Å; Y1561-I1565 HydrophobicContact CD1-CG1 4.48Å; Y1561-I1565 HydrophobicContact CE1-CD1 4.47Å; Y1561-I1565 WeakPolarHBondContact O-CB 3.31Å; Y1561-I1565 VanDerWaalsContact O-CG1 3.24Å; Y1561-I1565 WeakPolarHBondContact O-CG1 3.24Å; Y1561-I1565 PolarHBondContact O-N 3.25Å; Y1561-I1565 VanDerWaalsContact O-N 3.12Å
1562	D	47	Very low	46.5	Very low	78.8 Å²	78.8	109.4 Å²	109.4	42%	0.421	55%	0.552	S	S	.	*	H	α-helix	trans	-67.3	-40.2	179.5	-172.9	43.1	0	0	0	111.7	M1558 G1564 I1565 K1566	M1558-D1562 PolarHBondContact O-N 3.43Å; D1562-G1564 VanDerWaalsContact C-N 3.31Å; D1562-G1564 PolarHBondContact O-N 2.97Å; D1562-I1565 PolarHBondContact O-N 2.95Å; D1562-I1565 VanDerWaalsContact O-N 3.08Å; D1562-K1566 VanDerWaalsContact CG-NZ 3.32Å; D1562-K1566 VanDerWaalsContact O-CB 3.3Å; D1562-K1566 WeakPolarHBondContact O-CB 3.41Å; D1562-K1566 VanDerWaalsContact O-CG 3.28Å; D1562-K1566 WeakPolarHBondContact O-CG 3.39Å; D1562-K1566 PolarHBondContact O-N 3.11Å; D1562-K1566 VanDerWaalsContact O-N 3.13Å; D1562-K1566 WeakPolarHBondContact OD1-CD 3.31Å; D1562-K1566 WeakPolarHBondContact OD1-CE 3.5Å; D1562-K1566 IonicContact OD1-NZ 3.75Å; D1562-K1566 PolarHBondContact OD1-NZ 3.16Å; D1562-K1566 WeakPolarHBondContact OD2-CE 3.43Å; D1562-K1566 IonicContact OD2-NZ 3.16Å; D1562-K1566 PolarHBondContact OD2-NZ 3.05Å
1563	M	45.4	Very low	47.3	Very low	103.6 Å²	103.6	106.3 Å²	106.3	51%	0.51	53%	0.534	S	S	.	.	H	α-helix	trans	-60.4	-46.2	170.9	-76.6	-66	-148.2	0	0	112.2	I1559 Y1561 I1565 K1566 Y1567	I1559-M1563 WeakPolarHBondContact O-CG 3.41Å; I1559-M1563 PolarHBondContact O-N 3.15Å; Y1561-M1563 PolarHBondContact O-N 3.41Å; M1563-I1565 VanDerWaalsContact C-N 3.32Å; M1563-I1565 PolarHBondContact O-N 3.29Å; M1563-K1566 PolarHBondContact O-N 3.07Å; M1563-Y1567 HydrophobicContact CB-CD2 4.44Å; M1563-Y1567 HydrophobicContact CB-CE2 4.33Å; M1563-Y1567 VanDerWaalsContact O-CD2 3.32Å; M1563-Y1567 WeakPolarHBondContact O-CD2 3.32Å; M1563-Y1567 PolarHBondContact O-N 3.07Å; M1563-Y1567 VanDerWaalsContact O-N 3.13Å; M1563-Y1567 HydrophobicContact SD-CE2 3.86Å
1564	G	45	Very low	48.4	Very low	41.6 Å²	41.6	104.9 Å²	104.9	43%	0.429	53%	0.526	S	S	.	.	H	α-helix	trans	-60.7	-36.5	179.8	0	0	0	0	0	113.5	S1560 Y1561 D1562 Y1567 M1568	S1560-G1564 WeakPolarHBondContact O-CA 3.26Å; S1560-G1564 PolarHBondContact O-N 3.29Å; Y1561-G1564 PolarHBondContact O-N 3.14Å; Y1561-G1564 VanDerWaalsContact O-N 3.17Å; D1562-G1564 VanDerWaalsContact C-N 3.31Å; D1562-G1564 PolarHBondContact O-N 2.97Å; G1564-Y1567 PolarHBondContact O-N 3.16Å; G1564-M1568 WeakPolarHBondContact O-CB 3.37Å; G1564-M1568 PolarHBondContact O-N 3.22Å
1565	I	49.3	Very low	49.5	Very low	79.8 Å²	79.8	100.1 Å²	100.1	41%	0.409	51%	0.508	S	S	.	.	H	α-helix	trans	-73.4	-40.4	177.2	-67.8	169.3	0	0	0	111	Y1561 D1562 M1563 Y1567 M1568 I1569	Y1561-I1565 HydrophobicContact CD1-CD1 3.81Å; Y1561-I1565 HydrophobicContact CD1-CG1 4.48Å; Y1561-I1565 HydrophobicContact CE1-CD1 4.47Å; Y1561-I1565 WeakPolarHBondContact O-CB 3.31Å; Y1561-I1565 VanDerWaalsContact O-CG1 3.24Å; Y1561-I1565 WeakPolarHBondContact O-CG1 3.24Å; Y1561-I1565 PolarHBondContact O-N 3.25Å; Y1561-I1565 VanDerWaalsContact O-N 3.12Å; D1562-I1565 PolarHBondContact O-N 2.95Å; D1562-I1565 VanDerWaalsContact O-N 3.08Å; M1563-I1565 VanDerWaalsContact C-N 3.32Å; M1563-I1565 PolarHBondContact O-N 3.29Å; I1565-Y1567 PolarHBondContact O-N 3.25Å; I1565-M1568 PolarHBondContact O-N 3.23Å; I1565-I1569 HydrophobicContact CG2-CD1 3.92Å; I1565-I1569 HydrophobicContact CG2-CG1 4.47Å; I1565-I1569 WeakPolarHBondContact O-CB 3.23Å; I1565-I1569 WeakPolarHBondContact O-CG1 3.37Å; I1565-I1569 PolarHBondContact O-N 3.24Å; I1565-I1569 VanDerWaalsContact O-N 3.11Å
1566	K	42.9	Very low	50.4	Low	105 Å²	105	97.4 Å²	97.4	46%	0.457	49%	0.486	S	S	.	.	H	α-helix	trans	-59	-46.5	175	-76.5	167.4	178.4	160.8	0	111.8	D1562 M1563 M1568 I1569 I1570	D1562-K1566 VanDerWaalsContact CG-NZ 3.32Å; D1562-K1566 VanDerWaalsContact O-CB 3.3Å; D1562-K1566 WeakPolarHBondContact O-CB 3.41Å; D1562-K1566 VanDerWaalsContact O-CG 3.28Å; D1562-K1566 WeakPolarHBondContact O-CG 3.39Å; D1562-K1566 PolarHBondContact O-N 3.11Å; D1562-K1566 VanDerWaalsContact O-N 3.13Å; D1562-K1566 WeakPolarHBondContact OD1-CD 3.31Å; D1562-K1566 WeakPolarHBondContact OD1-CE 3.5Å; D1562-K1566 IonicContact OD1-NZ 3.75Å; D1562-K1566 PolarHBondContact OD1-NZ 3.16Å; D1562-K1566 WeakPolarHBondContact OD2-CE 3.43Å; D1562-K1566 IonicContact OD2-NZ 3.16Å; D1562-K1566 PolarHBondContact OD2-NZ 3.05Å; M1563-K1566 PolarHBondContact O-N 3.07Å; K1566-M1568 VanDerWaalsContact C-N 3.29Å; K1566-M1568 PolarHBondContact O-N 3.18Å; K1566-I1569 PolarHBondContact O-N 3.12Å; K1566-I1570 HydrophobicContact CB-CD1 4.29Å; K1566-I1570 WeakPolarHBondContact O-CB 3.34Å; K1566-I1570 WeakPolarHBondContact O-CD1 3.34Å; K1566-I1570 VanDerWaalsContact O-CG1 3.27Å; K1566-I1570 WeakPolarHBondContact O-CG1 3.26Å; K1566-I1570 PolarHBondContact O-N 3.22Å
1567	Y	46.6	Very low	51.6	Low	164.2 Å²	164.2	95 Å²	95	64%	0.644	47%	0.474	S	S	*	.	H	α-helix	trans	-67.8	-33.2	177.5	-76.4	-71.1	0	0	0	113.7	M1563 G1564 I1565 I1569 I1570 T1571	M1563-Y1567 HydrophobicContact CB-CD2 4.44Å; M1563-Y1567 HydrophobicContact CB-CE2 4.33Å; M1563-Y1567 VanDerWaalsContact O-CD2 3.32Å; M1563-Y1567 WeakPolarHBondContact O-CD2 3.32Å; M1563-Y1567 PolarHBondContact O-N 3.07Å; M1563-Y1567 VanDerWaalsContact O-N 3.13Å; M1563-Y1567 HydrophobicContact SD-CE2 3.86Å; G1564-Y1567 PolarHBondContact O-N 3.16Å; I1565-Y1567 PolarHBondContact O-N 3.25Å; Y1567-I1569 VanDerWaalsContact C-N 3.31Å; Y1567-I1569 PolarHBondContact O-N 2.84Å; Y1567-I1570 CarbonylContact O-C 3.43Å; Y1567-I1570 PolarHBondContact O-N 3.07Å; Y1567-T1571 VanDerWaalsContact O-CB 3.22Å; Y1567-T1571 WeakPolarHBondContact O-CB 3.21Å; Y1567-T1571 WeakPolarHBondContact O-CG2 3.46Å; Y1567-T1571 PolarHBondContact O-N 3.16Å; Y1567-T1571 PolarHBondContact O-OG1 2.93Å
1568	M	46.8	Very low	53	Low	114.2 Å²	114.2	94.7 Å²	94.7	56%	0.563	48%	0.477	S	S	*	.	H	α-helix	trans	-72.3	-28	-179.8	-150.3	-172.1	77.3	0	0	113.5	I1542 G1564 I1565 K1566 I1570 T1571 P1572	I1542-M1568 HydrophobicContact CD1-CG 4.17Å; I1542-M1568 HydrophobicContact CD1-SD 3.68Å; I1542-M1568 HydrophobicContact CG2-CE 3.86Å; G1564-M1568 WeakPolarHBondContact O-CB 3.37Å; G1564-M1568 PolarHBondContact O-N 3.22Å; I1565-M1568 PolarHBondContact O-N 3.23Å; K1566-M1568 VanDerWaalsContact C-N 3.29Å; K1566-M1568 PolarHBondContact O-N 3.18Å; M1568-I1570 VanDerWaalsContact C-N 3.33Å; M1568-I1570 PolarHBondContact O-N 3.44Å; M1568-T1571 PolarHBondContact O-OG1 3.4Å; M1568-P1572 WeakPolarHBondContact O-CD 3.32Å; M1568-P1572 VanDerWaalsContact O-CG 3.31Å; M1568-P1572 WeakPolarHBondContact O-CG 3.4Å
1569	I	50.7	Low	54.4	Low	68 Å²	68	91.5 Å²	91.5	35%	0.349	46%	0.463	S	S	.	.	H	α-helix	trans	-85.9	-27.6	177.3	-66.2	174.1	0	0	0	111.6	I1565 K1566 Y1567 T1571 P1572 Q1573 E1653	I1565-I1569 HydrophobicContact CG2-CD1 3.92Å; I1565-I1569 HydrophobicContact CG2-CG1 4.47Å; I1565-I1569 WeakPolarHBondContact O-CB 3.23Å; I1565-I1569 WeakPolarHBondContact O-CG1 3.37Å; I1565-I1569 PolarHBondContact O-N 3.24Å; I1565-I1569 VanDerWaalsContact O-N 3.11Å; K1566-I1569 PolarHBondContact O-N 3.12Å; Y1567-I1569 VanDerWaalsContact C-N 3.31Å; Y1567-I1569 PolarHBondContact O-N 2.84Å; I1569-T1571 VanDerWaalsContact C-N 3.34Å; I1569-T1571 PolarHBondContact O-N 3.37Å; I1569-P1572 WeakPolarHBondContact O-CD 3.41Å; I1569-P1572 WeakPolarHBondContact O-CG 3.18Å; I1569-Q1573 VanDerWaalsContact O-CG 3.26Å; I1569-Q1573 WeakPolarHBondContact O-CG 3.37Å; I1569-E1653 HydrophobicContact CG2-CG 4.27Å
1570	I	52.1	Low	55.4	Low	102.2 Å²	102.2	86 Å²	86	52%	0.524	44%	0.44	S	S	.	.			trans	-86.7	26.4	177.9	-57.8	165.8	0	0	0	110.3	K1566 Y1567 M1568 P1572 Q1573 L1574	K1566-I1570 HydrophobicContact CB-CD1 4.29Å; K1566-I1570 WeakPolarHBondContact O-CB 3.34Å; K1566-I1570 WeakPolarHBondContact O-CD1 3.34Å; K1566-I1570 VanDerWaalsContact O-CG1 3.27Å; K1566-I1570 WeakPolarHBondContact O-CG1 3.26Å; K1566-I1570 PolarHBondContact O-N 3.22Å; Y1567-I1570 CarbonylContact O-C 3.43Å; Y1567-I1570 PolarHBondContact O-N 3.07Å; M1568-I1570 VanDerWaalsContact C-N 3.33Å; M1568-I1570 PolarHBondContact O-N 3.44Å; I1570-P1572 WeakPolarHBondContact O-CD 3.38Å; I1570-Q1573 PolarHBondContact O-N 3.16Å; I1570-L1574 PolarHBondContact O-N 3.35Å
1571	T	54.2	Low	56.5	Low	55.8 Å²	55.8	83.9 Å²	83.9	34%	0.342	42%	0.424	S	S	.	.			trans	-72.3	76.9	161.9	13.6	0	0	0	0	109.6	L1539 Y1567 M1568 I1569 Q1573 L1574 T1575 R1576	L1539-T1571 HydrophobicContact CD1-CG2 3.67Å; L1539-T1571 HydrophobicContact CD2-CG2 3.54Å; L1539-T1571 HydrophobicContact CG-CG2 4.26Å; Y1567-T1571 VanDerWaalsContact O-CB 3.22Å; Y1567-T1571 WeakPolarHBondContact O-CB 3.21Å; Y1567-T1571 WeakPolarHBondContact O-CG2 3.46Å; Y1567-T1571 PolarHBondContact O-N 3.16Å; Y1567-T1571 PolarHBondContact O-OG1 2.93Å; M1568-T1571 PolarHBondContact O-OG1 3.4Å; I1569-T1571 VanDerWaalsContact C-N 3.34Å; I1569-T1571 PolarHBondContact O-N 3.37Å; T1571-Q1573 VanDerWaalsContact C-N 3.32Å; T1571-Q1573 PolarHBondContact O-N 3.06Å; T1571-L1574 PolarHBondContact O-N 3.44Å; T1571-T1575 PolarHBondContact O-N 3.02Å; T1571-T1575 PolarHBondContact O-OG1 3.48Å; T1571-R1576 PolarHBondContact OG1-NE 3.28Å; T1571-R1576 PolarHBondContact OG1-NH2 3.06Å
1572	P	58.1	Low	57.7	Low	59.4 Å²	59.4	82.7 Å²	82.7	39%	0.386	43%	0.425	S	S	.	.			trans	-61.9	110.2	-179.7	5.7	-8.2	0	0	0	111.5	M1568 I1569 I1570 L1574 T1575 R1576	M1568-P1572 WeakPolarHBondContact O-CD 3.32Å; M1568-P1572 VanDerWaalsContact O-CG 3.31Å; M1568-P1572 WeakPolarHBondContact O-CG 3.4Å; I1569-P1572 WeakPolarHBondContact O-CD 3.41Å; I1569-P1572 WeakPolarHBondContact O-CG 3.18Å; I1570-P1572 WeakPolarHBondContact O-CD 3.38Å; P1572-L1574 HydrophobicContact CB-CB 4.06Å; P1572-L1574 PolarHBondContact O-N 3.18Å; P1572-L1574 VanDerWaalsContact O-N 3.08Å; P1572-T1575 VanDerWaalsContact CA-OG1 3.28Å; P1572-T1575 WeakPolarHBondContact CA-OG1 3.46Å; P1572-T1575 HydrophobicContact CB-CG2 4.2Å; P1572-T1575 WeakPolarHBondContact CB-OG1 3.05Å; P1572-T1575 VanDerWaalsContact CD-OG1 3.31Å; P1572-T1575 WeakPolarHBondContact CD-OG1 3.48Å; P1572-T1575 HydrophobicContact CG-CG2 3.97Å; P1572-T1575 WeakPolarHBondContact O-CA 3.42Å; P1572-T1575 WeakPolarHBondContact O-CB 3.36Å; P1572-T1575 PolarHBondContact O-N 3.09Å; P1572-T1575 PolarHBondContact O-OG1 3.01Å; P1572-R1576 VanDerWaalsContact O-CB 3.27Å; P1572-R1576 WeakPolarHBondContact O-CB 3.23Å; P1572-R1576 WeakPolarHBondContact O-CD 3.35Å; P1572-R1576 VanDerWaalsContact O-CG 3.26Å; P1572-R1576 WeakPolarHBondContact O-CG 3.35Å; P1572-R1576 PolarHBondContact O-N 3.21Å
1573	Q	59.8	Low	58.9	Low	60.8 Å²	60.8	82.1 Å²	82.1	28%	0.284	42%	0.421	S	S	.	.	H	α-helix	trans	-59.7	-37	176.5	-136.1	76.7	-1.5	0	0	111.4	I1569 I1570 T1571 T1575 R1576 F1577 I1646	I1569-Q1573 VanDerWaalsContact O-CG 3.26Å; I1569-Q1573 WeakPolarHBondContact O-CG 3.37Å; I1570-Q1573 PolarHBondContact O-N 3.16Å; T1571-Q1573 VanDerWaalsContact C-N 3.32Å; T1571-Q1573 PolarHBondContact O-N 3.06Å; Q1573-T1575 VanDerWaalsContact C-N 3.32Å; Q1573-T1575 PolarHBondContact O-N 3.19Å; Q1573-R1576 PolarHBondContact O-N 3.22Å; Q1573-F1577 VanDerWaalsContact O-CB 3.25Å; Q1573-F1577 WeakPolarHBondContact O-CB 3.38Å; Q1573-F1577 PolarHBondContact O-N 3.09Å; Q1573-I1646 PolarHBondContact NE2-O 3.01Å; Q1573-I1646 VanDerWaalsContact NE2-O 3.08Å
1574	L	64.7	Low	60.1	Low	111.4 Å²	111.4	79.9 Å²	79.9	58%	0.583	41%	0.409	S	S	*	.	H	α-helix	trans	-60.6	-43	174.4	-170.9	69.7	0	0	0	112.6	I1570 T1571 P1572 R1576 F1577 L1578	I1570-L1574 PolarHBondContact O-N 3.35Å; T1571-L1574 PolarHBondContact O-N 3.44Å; P1572-L1574 HydrophobicContact CB-CB 4.06Å; P1572-L1574 PolarHBondContact O-N 3.18Å; P1572-L1574 VanDerWaalsContact O-N 3.08Å; L1574-R1576 VanDerWaalsContact C-N 3.29Å; L1574-R1576 PolarHBondContact O-N 2.79Å; L1574-F1577 WeakPolarHBondContact O-CB 3.41Å; L1574-F1577 PolarHBondContact O-N 3.19Å; L1574-L1578 HydrophobicContact CD1-CD1 4.33Å; L1574-L1578 HydrophobicContact CD1-CG 4.34Å; L1574-L1578 HydrophobicContact CD2-CD1 4.28Å; L1574-L1578 HydrophobicContact CG-CD1 4.03Å; L1574-L1578 HydrophobicContact CG-CG 4.4Å; L1574-L1578 WeakPolarHBondContact O-CB 3.34Å; L1574-L1578 VanDerWaalsContact O-CG 3.24Å; L1574-L1578 WeakPolarHBondContact O-CG 3.38Å; L1574-L1578 PolarHBondContact O-N 2.97Å
1575	T	65.2	Low	61.6	Low	56 Å²	56	81.8 Å²	81.8	34%	0.344	41%	0.408	S	S	.	.	H	α-helix	trans	-67.7	-40.1	178.4	22.9	0	0	0	0	112	F1534 T1571 P1572 Q1573 F1577 L1578 I1579	F1534-T1575 HydrophobicContact CD1-CG2 4.45Å; T1571-T1575 PolarHBondContact O-N 3.02Å; T1571-T1575 PolarHBondContact O-OG1 3.48Å; P1572-T1575 VanDerWaalsContact CA-OG1 3.28Å; P1572-T1575 WeakPolarHBondContact CA-OG1 3.46Å; P1572-T1575 HydrophobicContact CB-CG2 4.2Å; P1572-T1575 WeakPolarHBondContact CB-OG1 3.05Å; P1572-T1575 VanDerWaalsContact CD-OG1 3.31Å; P1572-T1575 WeakPolarHBondContact CD-OG1 3.48Å; P1572-T1575 HydrophobicContact CG-CG2 3.97Å; P1572-T1575 WeakPolarHBondContact O-CA 3.42Å; P1572-T1575 WeakPolarHBondContact O-CB 3.36Å; P1572-T1575 PolarHBondContact O-N 3.09Å; P1572-T1575 PolarHBondContact O-OG1 3.01Å; Q1573-T1575 VanDerWaalsContact C-N 3.32Å; Q1573-T1575 PolarHBondContact O-N 3.19Å; T1575-F1577 VanDerWaalsContact C-N 3.33Å; T1575-F1577 PolarHBondContact O-N 3.29Å; T1575-L1578 PolarHBondContact O-N 3.14Å; T1575-I1579 HydrophobicContact CG2-CD1 4.47Å; T1575-I1579 VanDerWaalsContact O-CB 3.32Å; T1575-I1579 WeakPolarHBondContact O-CB 3.4Å; T1575-I1579 WeakPolarHBondContact O-CD1 3.17Å; T1575-I1579 VanDerWaalsContact O-CG1 3.27Å; T1575-I1579 WeakPolarHBondContact O-CG1 3.32Å; T1575-I1579 PolarHBondContact O-N 3.28Å
1576	R	62.8	Low	62.7	Low	96.2 Å²	96.2	81.9 Å²	81.9	36%	0.363	41%	0.409	S	S	.	.	H	α-helix	trans	-64.5	-40.4	173.9	-70.2	179.5	-178.2	165.3	-0.1	111.9	T1571 P1572 Q1573 L1574 L1578 I1579 G1580 E1653	T1571-R1576 PolarHBondContact OG1-NE 3.28Å; T1571-R1576 PolarHBondContact OG1-NH2 3.06Å; P1572-R1576 VanDerWaalsContact O-CB 3.27Å; P1572-R1576 WeakPolarHBondContact O-CB 3.23Å; P1572-R1576 WeakPolarHBondContact O-CD 3.35Å; P1572-R1576 VanDerWaalsContact O-CG 3.26Å; P1572-R1576 WeakPolarHBondContact O-CG 3.35Å; P1572-R1576 PolarHBondContact O-N 3.21Å; Q1573-R1576 PolarHBondContact O-N 3.22Å; L1574-R1576 VanDerWaalsContact C-N 3.29Å; L1574-R1576 PolarHBondContact O-N 2.79Å; R1576-L1578 VanDerWaalsContact C-N 3.34Å; R1576-I1579 PolarHBondContact O-N 2.76Å; R1576-G1580 PolarHBondContact O-N 2.99Å; R1576-E1653 IonicContact CZ-OE2 2.71Å; R1576-E1653 IonicContact NH1-OE2 2.82Å; R1576-E1653 PolarHBondContact NH1-OE2 3.06Å; R1576-E1653 IonicContact NH2-OE2 2.63Å; R1576-E1653 PolarHBondContact NH2-OE2 2.79Å
1577	F	68.6	Low	64	Low	110.8 Å²	110.8	79.1 Å²	79.1	49%	0.486	40%	0.397	S	S	.	.	H	α-helix	trans	-63.3	-47.4	174.4	179.1	-98.4	0	0	0	111.9	Q1573 L1574 T1575 I1579 G1580 T1581 I1646	Q1573-F1577 VanDerWaalsContact O-CB 3.25Å; Q1573-F1577 WeakPolarHBondContact O-CB 3.38Å; Q1573-F1577 PolarHBondContact O-N 3.09Å; L1574-F1577 WeakPolarHBondContact O-CB 3.41Å; L1574-F1577 PolarHBondContact O-N 3.19Å; T1575-F1577 VanDerWaalsContact C-N 3.33Å; T1575-F1577 PolarHBondContact O-N 3.29Å; F1577-I1579 PolarHBondContact O-N 3.21Å; F1577-G1580 PolarHBondContact O-N 3.23Å; F1577-T1581 HydrophobicContact CD1-CG2 4.35Å; F1577-T1581 HydrophobicContact CD2-CG2 4.41Å; F1577-T1581 HydrophobicContact CE1-CG2 3.96Å; F1577-T1581 HydrophobicContact CE2-CG2 4.07Å; F1577-T1581 HydrophobicContact CZ-CG2 3.81Å; F1577-T1581 WeakPolarHBondContact O-CB 3.33Å; F1577-T1581 WeakPolarHBondContact O-CG2 3.4Å; F1577-T1581 PolarHBondContact O-N 3.17Å; F1577-T1581 PolarHBondContact O-OG1 3.06Å; F1577-I1646 HydrophobicContact CD2-CD1 3.76Å; F1577-I1646 HydrophobicContact CD2-CG1 4.36Å; F1577-I1646 HydrophobicContact CE2-CD1 4.11Å
1578	L	70.6	Confident	65.2	Low	82.4 Å²	82.4	74 Å²	74	43%	0.431	38%	0.38	S	S	.	.	H	α-helix	trans	-61	-46.4	176.9	-74.3	168.1	0	0	0	111.7	L1574 T1575 R1576 G1580 T1581 M1582	L1574-L1578 HydrophobicContact CD1-CD1 4.33Å; L1574-L1578 HydrophobicContact CD1-CG 4.34Å; L1574-L1578 HydrophobicContact CD2-CD1 4.28Å; L1574-L1578 HydrophobicContact CG-CD1 4.03Å; L1574-L1578 HydrophobicContact CG-CG 4.4Å; L1574-L1578 WeakPolarHBondContact O-CB 3.34Å; L1574-L1578 VanDerWaalsContact O-CG 3.24Å; L1574-L1578 WeakPolarHBondContact O-CG 3.38Å; L1574-L1578 PolarHBondContact O-N 2.97Å; T1575-L1578 PolarHBondContact O-N 3.14Å; R1576-L1578 VanDerWaalsContact C-N 3.34Å; L1578-G1580 VanDerWaalsContact C-N 3.33Å; L1578-G1580 PolarHBondContact O-N 3.06Å; L1578-T1581 WeakPolarHBondContact CA-OG1 3.37Å; L1578-T1581 PolarHBondContact O-N 3.11Å; L1578-T1581 PolarHBondContact O-OG1 3.12Å; L1578-T1581 VanDerWaalsContact O-OG1 3.08Å; L1578-M1582 VanDerWaalsContact O-CB 3.31Å; L1578-M1582 WeakPolarHBondContact O-CB 3.33Å; L1578-M1582 VanDerWaalsContact O-CG 3.25Å; L1578-M1582 WeakPolarHBondContact O-CG 3.36Å; L1578-M1582 PolarHBondContact O-N 3.27Å
1579	I	70.8	Confident	66.6	Low	79.8 Å²	79.8	73.1 Å²	73.1	41%	0.409	38%	0.377	S	S	.	.	H	α-helix	trans	-61.8	-44.8	176.6	-76.8	150.9	0	0	0	110.8	F1534 T1535 T1575 R1576 F1577 T1581 M1582 I1583	F1534-I1579 HydrophobicContact CB-CD1 3.98Å; F1534-I1579 HydrophobicContact CD1-CD1 4.1Å; F1534-I1579 HydrophobicContact CG-CD1 4.15Å; T1535-I1579 HydrophobicContact CG2-CD1 3.93Å; T1575-I1579 HydrophobicContact CG2-CD1 4.47Å; T1575-I1579 VanDerWaalsContact O-CB 3.32Å; T1575-I1579 WeakPolarHBondContact O-CB 3.4Å; T1575-I1579 WeakPolarHBondContact O-CD1 3.17Å; T1575-I1579 VanDerWaalsContact O-CG1 3.27Å; T1575-I1579 WeakPolarHBondContact O-CG1 3.32Å; T1575-I1579 PolarHBondContact O-N 3.28Å; R1576-I1579 PolarHBondContact O-N 2.76Å; F1577-I1579 PolarHBondContact O-N 3.21Å; I1579-T1581 PolarHBondContact O-N 2.99Å; I1579-M1582 PolarHBondContact O-N 3.18Å; I1579-I1583 HydrophobicContact CG2-CD1 3.91Å; I1579-I1583 VanDerWaalsContact O-CG1 3.29Å; I1579-I1583 WeakPolarHBondContact O-CG1 3.28Å; I1579-I1583 PolarHBondContact O-N 3.15Å; I1579-I1583 VanDerWaalsContact O-N 3.1Å
1580	G	68.8	Low	67.6	Low	23.2 Å²	23.2	72.7 Å²	72.7	24%	0.239	38%	0.375	C	S	.	.	H	α-helix	trans	-61.6	-43.2	177.1	0	0	0	0	0	113	R1576 F1577 L1578 M1582 I1583 F1584	R1576-G1580 PolarHBondContact O-N 2.99Å; F1577-G1580 PolarHBondContact O-N 3.23Å; L1578-G1580 VanDerWaalsContact C-N 3.33Å; L1578-G1580 PolarHBondContact O-N 3.06Å; G1580-M1582 PolarHBondContact O-N 2.86Å; G1580-I1583 PolarHBondContact O-N 3.11Å; G1580-F1584 VanDerWaalsContact O-CB 3.31Å; G1580-F1584 WeakPolarHBondContact O-CB 3.27Å; G1580-F1584 PolarHBondContact O-N 3.21Å
1581	T	70.6	Confident	68.3	Low	31.8 Å²	31.8	69 Å²	69	20%	0.195	36%	0.356	C	S	.	.	H	α-helix	trans	-68.7	-37.6	176.9	51.9	0	0	0	0	112.7	F1577 L1578 I1579 I1583 F1584 I1585 L1642	F1577-T1581 HydrophobicContact CD1-CG2 4.35Å; F1577-T1581 HydrophobicContact CD2-CG2 4.41Å; F1577-T1581 HydrophobicContact CE1-CG2 3.96Å; F1577-T1581 HydrophobicContact CE2-CG2 4.07Å; F1577-T1581 HydrophobicContact CZ-CG2 3.81Å; F1577-T1581 WeakPolarHBondContact O-CB 3.33Å; F1577-T1581 WeakPolarHBondContact O-CG2 3.4Å; F1577-T1581 PolarHBondContact O-N 3.17Å; F1577-T1581 PolarHBondContact O-OG1 3.06Å; L1578-T1581 WeakPolarHBondContact CA-OG1 3.37Å; L1578-T1581 PolarHBondContact O-N 3.11Å; L1578-T1581 PolarHBondContact O-OG1 3.12Å; L1578-T1581 VanDerWaalsContact O-OG1 3.08Å; I1579-T1581 PolarHBondContact O-N 2.99Å; T1581-I1583 VanDerWaalsContact C-N 3.34Å; T1581-I1583 PolarHBondContact O-N 3.35Å; T1581-F1584 PolarHBondContact O-N 3.23Å; T1581-I1585 WeakPolarHBondContact O-CB 3.32Å; T1581-I1585 WeakPolarHBondContact O-CD1 3.5Å; T1581-I1585 VanDerWaalsContact O-CG1 3.27Å; T1581-I1585 WeakPolarHBondContact O-CG1 3.33Å; T1581-I1585 PolarHBondContact O-N 3.05Å; T1581-L1642 HydrophobicContact CG2-CD2 4.41Å
1582	M	72.8	Confident	69	Low	112.6 Å²	112.6	71.2 Å²	71.2	56%	0.555	37%	0.365	S	S	*	.	H	α-helix	trans	-62.8	-43.8	173.8	-71.7	-63.2	112.9	0	0	111.8	L1578 I1579 G1580 F1584 I1585 L1586	L1578-M1582 VanDerWaalsContact O-CB 3.31Å; L1578-M1582 WeakPolarHBondContact O-CB 3.33Å; L1578-M1582 VanDerWaalsContact O-CG 3.25Å; L1578-M1582 WeakPolarHBondContact O-CG 3.36Å; L1578-M1582 PolarHBondContact O-N 3.27Å; I1579-M1582 PolarHBondContact O-N 3.18Å; G1580-M1582 PolarHBondContact O-N 2.86Å; M1582-F1584 VanDerWaalsContact C-N 3.32Å; M1582-F1584 PolarHBondContact O-N 2.88Å; M1582-I1585 HydrophobicContact CE-CD1 3.95Å; M1582-I1585 PolarHBondContact O-N 3.05Å; M1582-L1586 WeakPolarHBondContact O-CB 3.31Å; M1582-L1586 PolarHBondContact O-N 3.18Å
1583	I	72	Confident	69.6	Low	64.4 Å²	64.4	75 Å²	75	33%	0.33	37%	0.372	S	S	.	.	H	α-helix	trans	-64.7	-39.9	176.5	-64.2	164.7	0	0	0	110.7	M1528 I1579 G1580 T1581 L1586 H1587 F1641	M1528-I1583 HydrophobicContact CG-CG2 4.46Å; M1528-I1583 HydrophobicContact SD-CB 3.66Å; M1528-I1583 HydrophobicContact SD-CG2 3.3Å; M1528-I1583 WeakPolarHBondContact SD-CG2 3.42Å; I1579-I1583 HydrophobicContact CG2-CD1 3.91Å; I1579-I1583 VanDerWaalsContact O-CG1 3.29Å; I1579-I1583 WeakPolarHBondContact O-CG1 3.28Å; I1579-I1583 PolarHBondContact O-N 3.15Å; I1579-I1583 VanDerWaalsContact O-N 3.1Å; G1580-I1583 PolarHBondContact O-N 3.11Å; T1581-I1583 VanDerWaalsContact C-N 3.34Å; T1581-I1583 PolarHBondContact O-N 3.35Å; I1583-L1586 PolarHBondContact O-N 2.93Å; I1583-H1587 WeakPolarHBondContact O-CB 3.23Å; I1583-H1587 PolarHBondContact O-N 3.29Å; I1583-H1587 PolarHBondContact O-ND1 3.26Å; I1583-F1641 HydrophobicContact CB-CZ 4.49Å; I1583-F1641 HydrophobicContact CG2-CE1 4.07Å; I1583-F1641 HydrophobicContact CG2-CE2 4.27Å; I1583-F1641 HydrophobicContact CG2-CZ 3.43Å; I1583-F1641 VanDerWaalsContact CG2-CZ 3.43Å
1584	F	69.8	Low	69.9	Low	58.8 Å²	58.8	74.1 Å²	74.1	26%	0.258	37%	0.37	S	S	.	.	H	α-helix	trans	-64.2	-45	176.3	179.3	-108.9	0	0	0	112.6	M1528 G1580 T1581 M1582 L1586 H1587 I1588 Q1638 F1639 L1642	M1528-F1584 HydrophobicContact CE-CB 4.43Å; G1580-F1584 VanDerWaalsContact O-CB 3.31Å; G1580-F1584 WeakPolarHBondContact O-CB 3.27Å; G1580-F1584 PolarHBondContact O-N 3.21Å; T1581-F1584 PolarHBondContact O-N 3.23Å; M1582-F1584 VanDerWaalsContact C-N 3.32Å; M1582-F1584 PolarHBondContact O-N 2.88Å; F1584-L1586 VanDerWaalsContact C-N 3.32Å; F1584-L1586 PolarHBondContact O-N 3.14Å; F1584-H1587 WeakPolarHBondContact O-CB 3.5Å; F1584-H1587 PolarHBondContact O-N 2.92Å; F1584-I1588 HydrophobicContact CD1-CD1 3.93Å; F1584-I1588 HydrophobicContact CE1-CD1 3.47Å; F1584-I1588 HydrophobicContact CE1-CG1 4.41Å; F1584-I1588 HydrophobicContact CE2-CD1 4.29Å; F1584-I1588 HydrophobicContact CG-CD1 4.48Å; F1584-I1588 HydrophobicContact CZ-CD1 3.68Å; F1584-I1588 HydrophobicContact CZ-CG1 4.38Å; F1584-I1588 WeakPolarHBondContact O-CG1 3.36Å; F1584-I1588 PolarHBondContact O-N 3.18Å; F1584-Q1638 HydrophobicContact CD2-CB 4.15Å; F1584-Q1638 HydrophobicContact CE2-CB 3.78Å; F1584-F1639 HydrophobicContact CE2-CB 4.45Å; F1584-F1639 HydrophobicContact CZ-CB 4.41Å; F1584-F1639 HydrophobicContact CZ-CD2 4.49Å; F1584-L1642 HydrophobicContact CB-CD2 4.01Å; F1584-L1642 HydrophobicContact CD1-CD2 3.97Å; F1584-L1642 HydrophobicContact CD2-CB 4.47Å; F1584-L1642 HydrophobicContact CD2-CD1 4.42Å; F1584-L1642 HydrophobicContact CD2-CD2 4.2Å; F1584-L1642 HydrophobicContact CE1-CD2 4.43Å; F1584-L1642 HydrophobicContact CE2-CD1 3.8Å; F1584-L1642 HydrophobicContact CG-CD2 3.81Å
1585	I	75.8	Confident	69.9	Low	81.2 Å²	81.2	70.9 Å²	70.9	42%	0.416	36%	0.355	S	S	.	.	H	α-helix	trans	-60.9	-44.2	174.8	-69.7	163.4	0	0	0	110.6	T1581 M1582 H1587 I1588 I1589	T1581-I1585 WeakPolarHBondContact O-CB 3.32Å; T1581-I1585 WeakPolarHBondContact O-CD1 3.5Å; T1581-I1585 VanDerWaalsContact O-CG1 3.27Å; T1581-I1585 WeakPolarHBondContact O-CG1 3.33Å; T1581-I1585 PolarHBondContact O-N 3.05Å; M1582-I1585 HydrophobicContact CE-CD1 3.95Å; M1582-I1585 PolarHBondContact O-N 3.05Å; I1585-H1587 VanDerWaalsContact C-N 3.3Å; I1585-H1587 PolarHBondContact O-N 2.95Å; I1585-I1588 PolarHBondContact O-N 2.94Å; I1585-I1588 VanDerWaalsContact O-N 3.17Å; I1585-I1589 HydrophobicContact CG2-CD1 3.89Å; I1585-I1589 HydrophobicContact CG2-CG1 4.47Å; I1585-I1589 VanDerWaalsContact O-CG1 3.3Å; I1585-I1589 WeakPolarHBondContact O-CG1 3.42Å; I1585-I1589 PolarHBondContact O-N 3.31Å
1586	L	73.5	Confident	69.9	Low	80.8 Å²	80.8	74.5 Å²	74.5	42%	0.423	37%	0.368	S	S	.	.	H	α-helix	trans	-61.6	-38.3	176.7	-173.8	123.1	0	0	0	112.1	S1527 M1582 I1583 F1584 I1589 I1590	S1527-L1586 WeakPolarHBondContact OG-CD2 3.37Å; M1582-L1586 WeakPolarHBondContact O-CB 3.31Å; M1582-L1586 PolarHBondContact O-N 3.18Å; I1583-L1586 PolarHBondContact O-N 2.93Å; F1584-L1586 VanDerWaalsContact C-N 3.32Å; F1584-L1586 PolarHBondContact O-N 3.14Å; L1586-I1589 PolarHBondContact O-N 3Å; L1586-I1590 HydrophobicContact CD2-CD1 3.87Å; L1586-I1590 HydrophobicContact CG-CD1 4.36Å; L1586-I1590 VanDerWaalsContact O-CG1 3.3Å; L1586-I1590 WeakPolarHBondContact O-CG1 3.3Å; L1586-I1590 PolarHBondContact O-N 3.09Å
1587	H	69.3	Low	69.9	Low	47.8 Å²	47.8	76.9 Å²	76.9	22%	0.221	38%	0.378	C	S	.	.	H	α-helix	trans	-66.5	-41	173.9	-83.4	68.9	0	0	0	112.6	G1524 S1527 I1583 F1584 I1585 I1589 I1590 I1591	G1524-H1587 VanDerWaalsContact CA-NE2 3.35Å; G1524-H1587 WeakPolarHBondContact CA-NE2 3.43Å; G1524-H1587 PolarHBondContact O-NE2 2.72Å; S1527-H1587 VanDerWaalsContact CB-NE2 3.28Å; S1527-H1587 WeakPolarHBondContact CB-NE2 3.3Å; S1527-H1587 PolarHBondContact OG-CE1 2.64Å; S1527-H1587 VanDerWaalsContact OG-CE1 3.26Å; S1527-H1587 PolarHBondContact OG-NE2 3.02Å; I1583-H1587 WeakPolarHBondContact O-CB 3.23Å; I1583-H1587 PolarHBondContact O-N 3.29Å; I1583-H1587 PolarHBondContact O-ND1 3.26Å; F1584-H1587 WeakPolarHBondContact O-CB 3.5Å; F1584-H1587 PolarHBondContact O-N 2.92Å; I1585-H1587 VanDerWaalsContact C-N 3.3Å; I1585-H1587 PolarHBondContact O-N 2.95Å; H1587-I1589 VanDerWaalsContact C-N 3.34Å; H1587-I1589 PolarHBondContact O-N 3.1Å; H1587-I1590 PolarHBondContact O-N 3.12Å; H1587-I1590 VanDerWaalsContact O-N 3.17Å; H1587-I1591 VanDerWaalsContact O-CD1 3.3Å; H1587-I1591 WeakPolarHBondContact O-CD1 3.33Å; H1587-I1591 WeakPolarHBondContact O-CG1 3.41Å; H1587-I1591 PolarHBondContact O-N 2.96Å
1588	I	71.7	Confident	69.4	Low	55.6 Å²	55.6	75.6 Å²	75.6	29%	0.285	38%	0.376	S	S	.	.	H	α-helix	trans	-60.9	-42.7	173.7	-70.4	172.1	0	0	0	110.6	F1584 I1585 I1590 I1591 L1592 L1635	F1584-I1588 HydrophobicContact CD1-CD1 3.93Å; F1584-I1588 HydrophobicContact CE1-CD1 3.47Å; F1584-I1588 HydrophobicContact CE1-CG1 4.41Å; F1584-I1588 HydrophobicContact CE2-CD1 4.29Å; F1584-I1588 HydrophobicContact CG-CD1 4.48Å; F1584-I1588 HydrophobicContact CZ-CD1 3.68Å; F1584-I1588 HydrophobicContact CZ-CG1 4.38Å; F1584-I1588 WeakPolarHBondContact O-CG1 3.36Å; F1584-I1588 PolarHBondContact O-N 3.18Å; I1585-I1588 PolarHBondContact O-N 2.94Å; I1585-I1588 VanDerWaalsContact O-N 3.17Å; I1588-I1590 VanDerWaalsContact C-N 3.34Å; I1588-I1590 PolarHBondContact O-N 3.02Å; I1588-I1591 WeakPolarHBondContact O-CB 3.36Å; I1588-I1591 PolarHBondContact O-N 3.11Å; I1588-L1592 HydrophobicContact CG2-CD1 3.84Å; I1588-L1592 HydrophobicContact CG2-CG 4.3Å; I1588-L1592 WeakPolarHBondContact O-CB 3.27Å; I1588-L1592 WeakPolarHBondContact O-CG 3.42Å; I1588-L1592 PolarHBondContact O-N 3.21Å; I1588-L1635 HydrophobicContact CD1-CD2 4.41Å; I1588-L1635 HydrophobicContact CG1-CD2 4.01Å
1589	I	75.8	Confident	68.7	Low	96.4 Å²	96.4	73.2 Å²	73.2	49%	0.494	37%	0.371	S	S	.	.	H	α-helix	trans	-61	-44.7	176.2	-68.3	165.7	0	0	0	110.8	I1585 L1586 H1587 I1591 L1592 W1593	I1585-I1589 HydrophobicContact CG2-CD1 3.89Å; I1585-I1589 HydrophobicContact CG2-CG1 4.47Å; I1585-I1589 VanDerWaalsContact O-CG1 3.3Å; I1585-I1589 WeakPolarHBondContact O-CG1 3.42Å; I1585-I1589 PolarHBondContact O-N 3.31Å; L1586-I1589 PolarHBondContact O-N 3Å; H1587-I1589 VanDerWaalsContact C-N 3.34Å; H1587-I1589 PolarHBondContact O-N 3.1Å; I1589-I1591 VanDerWaalsContact C-N 3.31Å; I1589-I1591 PolarHBondContact O-N 3.16Å; I1589-L1592 PolarHBondContact O-N 3.17Å; I1589-W1593 VanDerWaalsContact O-CB 3.25Å; I1589-W1593 WeakPolarHBondContact O-CB 3.3Å; I1589-W1593 PolarHBondContact O-N 3.02Å
1590	I	72.2	Confident	67.9	Low	59 Å²	59	71.9 Å²	71.9	30%	0.303	37%	0.365	S	S	.	.	H	α-helix	trans	-61.7	-40.2	176.5	-69.3	166.3	0	0	0	111.4	F1520 I1523 L1586 H1587 I1588 W1593 T1594	F1520-I1590 HydrophobicContact CE1-CG2 4.04Å; I1523-I1590 HydrophobicContact CD1-CG2 4.3Å; I1523-I1590 HydrophobicContact CG2-CG2 4.15Å; L1586-I1590 HydrophobicContact CD2-CD1 3.87Å; L1586-I1590 HydrophobicContact CG-CD1 4.36Å; L1586-I1590 VanDerWaalsContact O-CG1 3.3Å; L1586-I1590 WeakPolarHBondContact O-CG1 3.3Å; L1586-I1590 PolarHBondContact O-N 3.09Å; H1587-I1590 PolarHBondContact O-N 3.12Å; H1587-I1590 VanDerWaalsContact O-N 3.17Å; I1588-I1590 VanDerWaalsContact C-N 3.34Å; I1588-I1590 PolarHBondContact O-N 3.02Å; I1590-W1593 PolarHBondContact O-N 3.14Å; I1590-T1594 HydrophobicContact CG2-CG2 4.49Å; I1590-T1594 WeakPolarHBondContact O-CG2 3.37Å; I1590-T1594 PolarHBondContact O-N 3.21Å; I1590-T1594 PolarHBondContact O-OG1 3.08Å
1591	I	67.6	Low	67.3	Low	24 Å²	24	76.7 Å²	76.7	12%	0.123	38%	0.379	C	S	.	.	H	α-helix	trans	-68.4	-45.6	177.9	-68.2	169	0	0	0	111.3	F1520 H1587 I1588 I1589 W1593 T1594 V1595 F1631 Q1638	F1520-I1591 HydrophobicContact CE1-CD1 4.02Å; F1520-I1591 HydrophobicContact CE1-CG1 3.86Å; F1520-I1591 HydrophobicContact CE1-CG2 4.14Å; F1520-I1591 HydrophobicContact CZ-CG2 4.19Å; H1587-I1591 VanDerWaalsContact O-CD1 3.3Å; H1587-I1591 WeakPolarHBondContact O-CD1 3.33Å; H1587-I1591 WeakPolarHBondContact O-CG1 3.41Å; H1587-I1591 PolarHBondContact O-N 2.96Å; I1588-I1591 WeakPolarHBondContact O-CB 3.36Å; I1588-I1591 PolarHBondContact O-N 3.11Å; I1589-I1591 VanDerWaalsContact C-N 3.31Å; I1589-I1591 PolarHBondContact O-N 3.16Å; I1591-W1593 VanDerWaalsContact C-N 3.27Å; I1591-W1593 PolarHBondContact O-N 3.3Å; I1591-T1594 WeakPolarHBondContact CA-OG1 3.32Å; I1591-T1594 PolarHBondContact O-N 3.11Å; I1591-T1594 PolarHBondContact O-OG1 3.14Å; I1591-T1594 VanDerWaalsContact O-OG1 3.09Å; I1591-V1595 HydrophobicContact CG2-CG2 4.41Å; I1591-V1595 WeakPolarHBondContact O-CB 3.25Å; I1591-V1595 VanDerWaalsContact O-CG2 3.29Å; I1591-V1595 WeakPolarHBondContact O-CG2 3.31Å; I1591-V1595 PolarHBondContact O-N 3.07Å; I1591-F1631 HydrophobicContact CG2-CD2 4.19Å; I1591-F1631 HydrophobicContact CG2-CE2 3.8Å; I1591-Q1638 HydrophobicContact CD1-CG 4.03Å; I1591-Q1638 VanDerWaalsContact CD1-NE2 3.3Å; I1591-Q1638 VanDerWaalsContact CG1-NE2 3.33Å
1592	L	69	Low	66.6	Low	102.8 Å²	102.8	82.6 Å²	82.6	54%	0.538	40%	0.399	S	S	.	.	H	α-helix	trans	-61.1	-37.8	175.2	-71.5	171.3	0	0	0	111.1	I1588 I1589 V1595 H1596 F1631	I1588-L1592 HydrophobicContact CG2-CD1 3.84Å; I1588-L1592 HydrophobicContact CG2-CG 4.3Å; I1588-L1592 WeakPolarHBondContact O-CB 3.27Å; I1588-L1592 WeakPolarHBondContact O-CG 3.42Å; I1588-L1592 PolarHBondContact O-N 3.21Å; I1589-L1592 PolarHBondContact O-N 3.17Å; L1592-V1595 PolarHBondContact O-N 3.34Å; L1592-H1596 VanDerWaalsContact O-CB 3.27Å; L1592-H1596 WeakPolarHBondContact O-CB 3.37Å; L1592-H1596 PolarHBondContact O-N 2.97Å; L1592-F1631 HydrophobicContact CD2-CZ 4.46Å
1593	W	70	Confident	65.8	Low	140.2 Å²	140.2	82.4 Å²	82.4	53%	0.531	40%	0.399	S	S	.	.	H	α-helix	trans	-67.1	-44.8	177.1	-167.4	4.4	0	0	0	112.2	F1520 I1523 I1589 I1590 I1591 V1595 H1596 Y1597	F1520-W1593 HydrophobicContact CE1-CD2 4.29Å; F1520-W1593 HydrophobicContact CE1-CG 4.48Å; F1520-W1593 HydrophobicContact CE1-CZ2 4.42Å; F1520-W1593 AromaticContact CE1-NE1 4Å; F1520-W1593 HydrophobicContact CZ-CD2 4.4Å; F1520-W1593 AromaticContact CZ-CE2 3.7Å; F1520-W1593 HydrophobicContact CZ-CZ2 4.01Å; F1520-W1593 AromaticContact CZ-NE1 3.45Å; I1523-W1593 HydrophobicContact CD1-CE3 4.38Å; I1523-W1593 HydrophobicContact CD1-CH2 3.89Å; I1523-W1593 HydrophobicContact CD1-CZ3 3.37Å; I1589-W1593 VanDerWaalsContact O-CB 3.25Å; I1589-W1593 WeakPolarHBondContact O-CB 3.3Å; I1589-W1593 PolarHBondContact O-N 3.02Å; I1590-W1593 PolarHBondContact O-N 3.14Å; I1591-W1593 VanDerWaalsContact C-N 3.27Å; I1591-W1593 PolarHBondContact O-N 3.3Å; W1593-V1595 VanDerWaalsContact C-N 3.33Å; W1593-V1595 PolarHBondContact O-N 3.37Å; W1593-H1596 PolarHBondContact O-N 3.25Å; W1593-Y1597 AromaticContact CD1-CD2 3.33Å; W1593-Y1597 AromaticContact CD1-CE2 3.68Å; W1593-Y1597 AromaticContact CD1-CG 3.89Å; W1593-Y1597 AromaticContact CE2-CE2 3.88Å; W1593-Y1597 HydrophobicContact CG-CD2 4.46Å; W1593-Y1597 HydrophobicContact CZ2-CE2 4.31Å; W1593-Y1597 AromaticContact NE1-CD2 3.16Å; W1593-Y1597 AromaticContact NE1-CE2 3.11Å; W1593-Y1597 AromaticContact NE1-CG 3.85Å; W1593-Y1597 AromaticContact NE1-CZ 3.77Å; W1593-Y1597 WeakPolarHBondContact O-CB 3.38Å; W1593-Y1597 PolarHBondContact O-N 3.09Å
1594	T	66.5	Low	64.9	Low	40.4 Å²	40.4	83 Å²	83	25%	0.248	40%	0.403	C	S	.	.	H	α-helix	trans	-66.7	-37	176.5	53.5	0	0	0	0	112.4	F1520 I1523 I1590 I1591 H1596 Y1597 N1598	F1520-T1594 HydrophobicContact CE1-CG2 4.15Å; F1520-T1594 VanDerWaalsContact CE1-OG1 3.29Å; F1520-T1594 WeakPolarHBondContact CE1-OG1 3.28Å; F1520-T1594 HydrophobicContact CE2-CG2 4.49Å; F1520-T1594 HydrophobicContact CZ-CG2 3.86Å; F1520-T1594 VanDerWaalsContact CZ-OG1 3.23Å; F1520-T1594 WeakPolarHBondContact CZ-OG1 3.41Å; I1523-T1594 HydrophobicContact CD1-CG2 4.01Å; I1590-T1594 HydrophobicContact CG2-CG2 4.49Å; I1590-T1594 WeakPolarHBondContact O-CG2 3.37Å; I1590-T1594 PolarHBondContact O-N 3.21Å; I1590-T1594 PolarHBondContact O-OG1 3.08Å; I1591-T1594 WeakPolarHBondContact CA-OG1 3.32Å; I1591-T1594 PolarHBondContact O-N 3.11Å; I1591-T1594 PolarHBondContact O-OG1 3.14Å; I1591-T1594 VanDerWaalsContact O-OG1 3.09Å; T1594-H1596 VanDerWaalsContact C-N 3.32Å; T1594-H1596 PolarHBondContact O-N 3.2Å; T1594-Y1597 PolarHBondContact O-N 3.03Å; T1594-N1598 VanDerWaalsContact O-CB 3.28Å; T1594-N1598 WeakPolarHBondContact O-CB 3.34Å; T1594-N1598 VanDerWaalsContact O-CG 3.26Å; T1594-N1598 PolarHBondContact O-N 3.18Å; T1594-N1598 PolarHBondContact O-ND2 2.9Å
1595	V	64.9	Low	64.3	Low	44.8 Å²	44.8	85.8 Å²	85.8	27%	0.272	42%	0.417	S	S	.	.	H	α-helix	trans	-65.1	-41.2	173.2	172.9	0	0	0	0	111.5	F1520 I1591 L1592 W1593 Y1597 N1598 G1599 F1627	F1520-V1595 HydrophobicContact CZ-CG2 4.2Å; I1591-V1595 HydrophobicContact CG2-CG2 4.41Å; I1591-V1595 WeakPolarHBondContact O-CB 3.25Å; I1591-V1595 VanDerWaalsContact O-CG2 3.29Å; I1591-V1595 WeakPolarHBondContact O-CG2 3.31Å; I1591-V1595 PolarHBondContact O-N 3.07Å; L1592-V1595 PolarHBondContact O-N 3.34Å; W1593-V1595 VanDerWaalsContact C-N 3.33Å; W1593-V1595 PolarHBondContact O-N 3.37Å; V1595-Y1597 VanDerWaalsContact C-N 3.27Å; V1595-Y1597 PolarHBondContact O-N 2.91Å; V1595-N1598 PolarHBondContact O-N 3.14Å; V1595-G1599 PolarHBondContact O-N 3.08Å; V1595-F1627 HydrophobicContact CG1-CE1 4.29Å; V1595-F1627 HydrophobicContact CG1-CZ 4.16Å; V1595-F1627 HydrophobicContact CG2-CZ 3.96Å
1596	H	64.2	Low	62.9	Low	132.4 Å²	132.4	91.2 Å²	91.2	61%	0.613	43%	0.432	S	S	*	.	H	α-helix	trans	-66.5	-48.2	177	-176	-85.7	0	0	0	112.1	L1592 W1593 T1594 N1598 G1599 L1600	L1592-H1596 VanDerWaalsContact O-CB 3.27Å; L1592-H1596 WeakPolarHBondContact O-CB 3.37Å; L1592-H1596 PolarHBondContact O-N 2.97Å; W1593-H1596 PolarHBondContact O-N 3.25Å; T1594-H1596 VanDerWaalsContact C-N 3.32Å; T1594-H1596 PolarHBondContact O-N 3.2Å; H1596-N1598 VanDerWaalsContact C-N 3.28Å; H1596-N1598 PolarHBondContact O-N 3.29Å; H1596-G1599 PolarHBondContact O-N 3.04Å; H1596-L1600 WeakPolarHBondContact O-CB 3.35Å; H1596-L1600 PolarHBondContact O-N 3.04Å
1597	Y	63.3	Low	61.8	Low	146.4 Å²	146.4	92.9 Å²	92.9	57%	0.574	44%	0.441	S	S	*	.	H	α-helix	trans	-71.3	-34.2	-176.9	-107.8	-105.5	0	0	0	113.5	F1516 W1593 T1594 V1595 G1599 L1600 F1601	F1516-Y1597 HydrophobicContact CE1-CD1 4.02Å; F1516-Y1597 AromaticContact CE1-CE1 3.35Å; F1516-Y1597 HydrophobicContact CE1-CE1 3.35Å; F1516-Y1597 AromaticContact CE1-CE2 3.96Å; F1516-Y1597 HydrophobicContact CE1-CE2 3.96Å; F1516-Y1597 AromaticContact CE1-CZ 3.31Å; F1516-Y1597 WeakPolarHBondContact CE1-OH 3.39Å; F1516-Y1597 HydrophobicContact CZ-CD1 4.36Å; F1516-Y1597 AromaticContact CZ-CE1 3.33Å; F1516-Y1597 HydrophobicContact CZ-CE1 3.33Å; F1516-Y1597 HydrophobicContact CZ-CE2 4.34Å; F1516-Y1597 AromaticContact CZ-CZ 3.31Å; F1516-Y1597 WeakPolarHBondContact CZ-OH 3.39Å; W1593-Y1597 AromaticContact CD1-CD2 3.33Å; W1593-Y1597 AromaticContact CD1-CE2 3.68Å; W1593-Y1597 AromaticContact CD1-CG 3.89Å; W1593-Y1597 AromaticContact CE2-CE2 3.88Å; W1593-Y1597 HydrophobicContact CG-CD2 4.46Å; W1593-Y1597 HydrophobicContact CZ2-CE2 4.31Å; W1593-Y1597 AromaticContact NE1-CD2 3.16Å; W1593-Y1597 AromaticContact NE1-CE2 3.11Å; W1593-Y1597 AromaticContact NE1-CG 3.85Å; W1593-Y1597 AromaticContact NE1-CZ 3.77Å; W1593-Y1597 WeakPolarHBondContact O-CB 3.38Å; W1593-Y1597 PolarHBondContact O-N 3.09Å; T1594-Y1597 PolarHBondContact O-N 3.03Å; V1595-Y1597 VanDerWaalsContact C-N 3.27Å; V1595-Y1597 PolarHBondContact O-N 2.91Å; Y1597-G1599 VanDerWaalsContact C-N 3.27Å; Y1597-G1599 PolarHBondContact O-N 3.14Å; Y1597-L1600 PolarHBondContact O-N 2.89Å; Y1597-F1601 PolarHBondContact O-N 2.85Å
1598	N	59.2	Low	60.7	Low	82.6 Å²	82.6	100.7 Å²	100.7	44%	0.442	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-5.5	176.9	-70.8	-22.7	0	0	0	112.9	F1516 T1594 V1595 H1596 L1600 F1601 Y1602 F1627	F1516-N1598 HydrophobicContact CE1-CB 3.59Å; F1516-N1598 HydrophobicContact CE2-CB 3.63Å; F1516-N1598 HydrophobicContact CZ-CB 3.72Å; F1516-N1598 VanDerWaalsContact CZ-CB 3.49Å; F1516-N1598 WeakPolarHBondContact CZ-ND2 3.38Å; T1594-N1598 VanDerWaalsContact O-CB 3.28Å; T1594-N1598 WeakPolarHBondContact O-CB 3.34Å; T1594-N1598 VanDerWaalsContact O-CG 3.26Å; T1594-N1598 PolarHBondContact O-N 3.18Å; T1594-N1598 PolarHBondContact O-ND2 2.9Å; V1595-N1598 PolarHBondContact O-N 3.14Å; H1596-N1598 VanDerWaalsContact C-N 3.28Å; H1596-N1598 PolarHBondContact O-N 3.29Å; N1598-L1600 PolarHBondContact O-N 3.25Å; N1598-F1601 PolarHBondContact O-N 3.46Å; N1598-Y1602 PolarHBondContact O-N 2.96Å; N1598-F1627 HydrophobicContact CB-CE2 3.84Å; N1598-F1627 HydrophobicContact CB-CZ 4.31Å
1599	G	55.3	Low	59.6	Low	31.6 Å²	31.6	106.1 Å²	106.1	33%	0.326	50%	0.495	S	S	.	.	H	α-helix	trans	25.3	-16.5	171.1	0	0	0	0	0	114.9	V1595 H1596 Y1597 F1601 Y1602 I1603	V1595-G1599 PolarHBondContact O-N 3.08Å; H1596-G1599 PolarHBondContact O-N 3.04Å; Y1597-G1599 VanDerWaalsContact C-N 3.27Å; Y1597-G1599 PolarHBondContact O-N 3.14Å; G1599-F1601 VanDerWaalsContact C-N 3.3Å; G1599-F1601 PolarHBondContact O-N 3.24Å; G1599-Y1602 WeakPolarHBondContact O-CA 3.44Å; G1599-Y1602 VanDerWaalsContact O-CB 3.26Å; G1599-Y1602 WeakPolarHBondContact O-CB 3.33Å; G1599-Y1602 PolarHBondContact O-N 3.15Å; G1599-Y1602 VanDerWaalsContact O-N 3.15Å; G1599-I1603 WeakPolarHBondContact O-CG1 3.14Å; G1599-I1603 PolarHBondContact O-N 3.29Å
1600	L	54.2	Low	58	Low	52.8 Å²	52.8	110.2 Å²	110.2	28%	0.276	51%	0.509	S	S	.	.	H	α-helix	trans	-66.5	-31.7	-175.7	-156.1	147.3	0	0	0	112.1	F1516 H1596 Y1597 N1598 Y1602 I1603 L1604 F1627	F1516-L1600 HydrophobicContact CE2-CD1 4.33Å; F1516-L1600 HydrophobicContact CZ-CD1 4.15Å; H1596-L1600 WeakPolarHBondContact O-CB 3.35Å; H1596-L1600 PolarHBondContact O-N 3.04Å; Y1597-L1600 PolarHBondContact O-N 2.89Å; N1598-L1600 PolarHBondContact O-N 3.25Å; L1600-Y1602 PolarHBondContact O-N 3.12Å; L1600-I1603 PolarHBondContact O-N 3.32Å; L1600-I1603 VanDerWaalsContact O-N 3.15Å; L1600-L1604 HydrophobicContact CD2-CD1 3.79Å; L1600-L1604 HydrophobicContact CD2-CG 4.28Å; L1600-L1604 WeakPolarHBondContact O-CB 3.49Å; L1600-L1604 WeakPolarHBondContact O-CG 3.36Å; L1600-L1604 PolarHBondContact O-N 3.03Å; L1600-F1627 HydrophobicContact CD1-CD2 4.03Å; L1600-F1627 HydrophobicContact CD1-CE2 3.75Å; L1600-F1627 HydrophobicContact CD1-CZ 4.34Å; L1600-F1627 HydrophobicContact CD2-CD1 4.18Å; L1600-F1627 HydrophobicContact CD2-CD2 3.88Å; L1600-F1627 HydrophobicContact CD2-CE1 4.04Å; L1600-F1627 HydrophobicContact CD2-CE2 3.74Å; L1600-F1627 HydrophobicContact CD2-CG 4.11Å; L1600-F1627 HydrophobicContact CD2-CZ 3.82Å; L1600-F1627 HydrophobicContact CG-CE2 4.34Å
1601	F	56.7	Low	56.6	Low	124 Å²	124	115.2 Å²	115.2	54%	0.544	53%	0.531	S	S	.	.	H	α-helix	trans	-63.1	-39.4	171.8	-158.4	-88.8	0	0	0	112.1	Y1597 N1598 G1599 I1603 L1604 Q1605	Y1597-F1601 PolarHBondContact O-N 2.85Å; N1598-F1601 PolarHBondContact O-N 3.46Å; G1599-F1601 VanDerWaalsContact C-N 3.3Å; G1599-F1601 PolarHBondContact O-N 3.24Å; F1601-I1603 VanDerWaalsContact C-N 3.33Å; F1601-I1603 PolarHBondContact O-N 3.08Å; F1601-L1604 PolarHBondContact O-N 3.02Å; F1601-Q1605 WeakPolarHBondContact O-CB 3.39Å; F1601-Q1605 PolarHBondContact O-N 3.24Å
1602	Y	54.5	Low	55.5	Low	156.8 Å²	156.8	120.7 Å²	120.7	62%	0.615	56%	0.56	S	S	*	*	H	α-helix	trans	-63.7	-40.1	176	-129.5	-82.8	0	0	0	112	N1598 G1599 L1600 L1604 Q1605 W1606	N1598-Y1602 PolarHBondContact O-N 2.96Å; G1599-Y1602 WeakPolarHBondContact O-CA 3.44Å; G1599-Y1602 VanDerWaalsContact O-CB 3.26Å; G1599-Y1602 WeakPolarHBondContact O-CB 3.33Å; G1599-Y1602 PolarHBondContact O-N 3.15Å; G1599-Y1602 VanDerWaalsContact O-N 3.15Å; L1600-Y1602 PolarHBondContact O-N 3.12Å; Y1602-L1604 VanDerWaalsContact C-N 3.31Å; Y1602-L1604 PolarHBondContact O-N 3.08Å; Y1602-Q1605 PolarHBondContact O-N 2.81Å; Y1602-Q1605 VanDerWaalsContact O-N 3.15Å; Y1602-W1606 AromaticContact CE1-CD1 3.9Å; Y1602-W1606 VanDerWaalsContact O-CB 3.26Å; Y1602-W1606 WeakPolarHBondContact O-CB 3.36Å; Y1602-W1606 PolarHBondContact O-N 3.07Å; Y1602-W1606 VanDerWaalsContact O-N 3.15Å
1603	I	56.4	Low	54.3	Low	108.2 Å²	108.2	120.5 Å²	120.5	56%	0.555	57%	0.567	S	S	*	*	H	α-helix	trans	-68.1	-34.5	176.9	-65.4	168.5	0	0	0	111.5	G1599 L1600 F1601 W1606 N1607 Q1624	G1599-I1603 WeakPolarHBondContact O-CG1 3.14Å; G1599-I1603 PolarHBondContact O-N 3.29Å; L1600-I1603 PolarHBondContact O-N 3.32Å; L1600-I1603 VanDerWaalsContact O-N 3.15Å; F1601-I1603 VanDerWaalsContact C-N 3.33Å; F1601-I1603 PolarHBondContact O-N 3.08Å; I1603-W1606 PolarHBondContact O-N 3.08Å; I1603-N1607 PolarHBondContact O-N 3.06Å; I1603-N1607 PolarHBondContact O-ND2 3.39Å; I1603-N1607 VanDerWaalsContact O-ND2 3.15Å; I1603-Q1624 PolarHBondContact O-NE2 3.4Å
1604	L	52.9	Low	53	Low	77.2 Å²	77.2	120.7 Å²	120.7	40%	0.404	58%	0.579	S	S	.	*	H	α-helix	trans	-73.7	-32.5	175.8	-73.8	170.7	0	0	0	112.7	L1600 F1601 Y1602 N1607 Y1608 Q1624	L1600-L1604 HydrophobicContact CD2-CD1 3.79Å; L1600-L1604 HydrophobicContact CD2-CG 4.28Å; L1600-L1604 WeakPolarHBondContact O-CB 3.49Å; L1600-L1604 WeakPolarHBondContact O-CG 3.36Å; L1600-L1604 PolarHBondContact O-N 3.03Å; F1601-L1604 PolarHBondContact O-N 3.02Å; Y1602-L1604 VanDerWaalsContact C-N 3.31Å; Y1602-L1604 PolarHBondContact O-N 3.08Å; L1604-N1607 PolarHBondContact O-N 3.39Å; L1604-Y1608 PolarHBondContact O-N 3.13Å; L1604-Q1624 HydrophobicContact CD1-CG 4.36Å; L1604-Q1624 HydrophobicContact CD2-CG 3.72Å
1605	Q	56.7	Low	51.7	Low	116.4 Å²	116.4	127.5 Å²	127.5	54%	0.544	61%	0.608	S	S	.	*	H	α-helix	trans	-77.3	-34.9	179.5	-170.4	153.8	-5.6	0	0	112.6	F1601 Y1602 N1607 Y1608 E1609	F1601-Q1605 WeakPolarHBondContact O-CB 3.39Å; F1601-Q1605 PolarHBondContact O-N 3.24Å; Y1602-Q1605 PolarHBondContact O-N 2.81Å; Y1602-Q1605 VanDerWaalsContact O-N 3.15Å; Q1605-N1607 VanDerWaalsContact C-N 3.29Å; Q1605-N1607 PolarHBondContact O-N 3.22Å; Q1605-N1607 VanDerWaalsContact O-N 3.08Å; Q1605-Y1608 PolarHBondContact O-N 3.15Å; Q1605-E1609 PolarHBondContact O-N 2.81Å
1606	W	48	Very low	50.3	Low	194.8 Å²	194.8	132.4 Å²	132.4	74%	0.738	63%	0.631	S	S	*	*	H	α-helix	trans	-68.9	-13.2	-177.2	-148.1	55.8	0	0	0	114	Y1602 I1603 Y1608 E1609 K1610	Y1602-W1606 AromaticContact CE1-CD1 3.9Å; Y1602-W1606 VanDerWaalsContact O-CB 3.26Å; Y1602-W1606 WeakPolarHBondContact O-CB 3.36Å; Y1602-W1606 PolarHBondContact O-N 3.07Å; Y1602-W1606 VanDerWaalsContact O-N 3.15Å; I1603-W1606 PolarHBondContact O-N 3.08Å; W1606-Y1608 VanDerWaalsContact C-N 3.34Å; W1606-Y1608 PolarHBondContact O-N 3.11Å; W1606-E1609 PolarHBondContact O-N 3.5Å; W1606-K1610 PolarHBondContact O-N 2.64Å
1607	N	48.7	Very low	49.1	Very low	116.8 Å²	116.8	134 Å²	134	63%	0.625	64%	0.637	S	S	*	*	H	α-helix	trans	-94.8	3.2	180	-86.1	-29.3	0	0	0	113.9	I1603 L1604 Q1605	I1603-N1607 PolarHBondContact O-N 3.06Å; I1603-N1607 PolarHBondContact O-ND2 3.39Å; I1603-N1607 VanDerWaalsContact O-ND2 3.15Å; L1604-N1607 PolarHBondContact O-N 3.39Å; Q1605-N1607 VanDerWaalsContact C-N 3.29Å; Q1605-N1607 PolarHBondContact O-N 3.22Å; Q1605-N1607 VanDerWaalsContact O-N 3.08Å
1608	Y	47.2	Very low	47.9	Very low	211 Å²	211	136.6 Å²	136.6	83%	0.827	65%	0.654	S	S	*	*	H	α-helix	trans	-102.8	-7.6	179.5	-127.1	-88.9	0	0	0	114.2	L1604 Q1605 W1606 K1610 H1611	L1604-Y1608 PolarHBondContact O-N 3.13Å; Q1605-Y1608 PolarHBondContact O-N 3.15Å; W1606-Y1608 VanDerWaalsContact C-N 3.34Å; W1606-Y1608 PolarHBondContact O-N 3.11Å; Y1608-K1610 PolarHBondContact O-N 3.02Å; Y1608-H1611 PolarHBondContact O-N 3.44Å
1609	E	48.2	Very low	47.1	Very low	170.2 Å²	170.2	134.6 Å²	134.6	80%	0.795	65%	0.653	S	S	*	*	S	Bend	trans	-107.1	12.1	-179.4	-144.5	173.5	174.8	0	0	113.6	Q1605 W1606 H1611	Q1605-E1609 PolarHBondContact O-N 2.81Å; W1606-E1609 PolarHBondContact O-N 3.5Å; E1609-H1611 VanDerWaalsContact C-N 3.31Å; E1609-H1611 PolarHBondContact O-N 3.25Å
1610	K	42.4	Very low	46.8	Very low	182.6 Å²	182.6	137.4 Å²	137.4	79%	0.794	66%	0.664	S	S	*	*			trans	-122.9	54.6	-178.3	-147.8	178	-176	179	0	113.7	W1606 Y1608 D1612	W1606-K1610 PolarHBondContact O-N 2.64Å; Y1608-K1610 PolarHBondContact O-N 3.02Å; K1610-D1612 PolarHBondContact O-N 3.01Å
1611	H	43.6	Very low	46.4	Very low	163.6 Å²	163.6	139.2 Å²	139.2	76%	0.757	68%	0.681	S	S	*	*			trans	-129.3	64.6	167.2	-121.5	-69.5	0	0	0	113.6	Y1608 E1609	Y1608-H1611 PolarHBondContact O-N 3.44Å; E1609-H1611 VanDerWaalsContact C-N 3.31Å; E1609-H1611 PolarHBondContact O-N 3.25Å
1612	D	42.9	Very low	45.9	Very low	140 Å²	140	138.7 Å²	138.7	75%	0.749	68%	0.683	S	S	*	*			trans	-131.7	130.3	154.5	-105.4	-23.1	0	0	0	115	K1610 N1614	K1610-D1612 PolarHBondContact O-N 3.01Å; D1612-N1614 PolarHBondContact O-N 3.26Å; D1612-N1614 VanDerWaalsContact O-N 3.13Å
1613	S	44.8	Very low	45.7	Very low	98.4 Å²	98.4	136.4 Å²	136.4	69%	0.688	68%	0.678	S	S	*	*			trans	37.2	110.8	169.7	68	0	0	0	0	116.1
1614	N	42.6	Very low	45.4	Very low	142.8 Å²	142.8	136.5 Å²	136.5	76%	0.764	68%	0.676	S	S	*	*			trans	108.6	88.8	150.5	-64.7	-24.7	0	0	0	117.1	D1612 L1616	D1612-N1614 PolarHBondContact O-N 3.26Å; D1612-N1614 VanDerWaalsContact O-N 3.13Å; N1614-L1616 PolarHBondContact O-N 3.42Å
1615	H	39.1	Very low	45.3	Very low	185 Å²	185	141 Å²	141	86%	0.856	69%	0.692	S	S	*	*			trans	56.5	117.2	133.8	-103.8	-97.1	0	0	0	120.6
1616	L	36.6	Very low	45.2	Very low	147.2 Å²	147.2	140 Å²	140	77%	0.771	69%	0.69	S	S	*	*			trans	120.9	49.5	149.6	-151	83.8	0	0	0	117.3	F1506 N1614	F1506-L1616 HydrophobicContact CE1-CD2 4.13Å; N1614-L1616 PolarHBondContact O-N 3.42Å
1617	F	38.1	Very low	45.7	Very low	165.2 Å²	165.2	134.1 Å²	134.1	73%	0.725	67%	0.669	S	S	*	*			trans	-138.9	82.3	162	-137.5	-96.3	0	0	0	113.8	G1619 T1620	F1617-G1619 PolarHBondContact O-N 3.14Å; F1617-G1619 VanDerWaalsContact O-N 3.08Å; F1617-T1620 HydrophobicContact CD1-CG2 3.98Å; F1617-T1620 HydrophobicContact CE1-CG2 3.62Å; F1617-T1620 WeakPolarHBondContact CE1-OG1 3.33Å; F1617-T1620 HydrophobicContact CZ-CG2 3.66Å
1618	Q	37.9	Very low	46.5	Very low	201 Å²	201	134 Å²	134	94%	0.939	67%	0.668	S	S	*	*			trans	-100.3	49.8	-176.5	-159.4	170.9	7.5	0	0	112.9
1619	G	43.6	Very low	47.4	Very low	40.6 Å²	40.6	126.7 Å²	126.7	42%	0.419	65%	0.647	S	S	.	*	S	Bend	trans	-133.5	0.5	-175.3	0	0	0	0	0	116.3	F1617 S1621	F1617-G1619 PolarHBondContact O-N 3.14Å; F1617-G1619 VanDerWaalsContact O-N 3.08Å; G1619-S1621 PolarHBondContact O-N 3.46Å
1620	T	48.3	Very low	48.1	Very low	91.4 Å²	91.4	122.5 Å²	122.5	56%	0.561	63%	0.629	S	S	*	*	S	Bend	trans	-101.2	-8.3	-174.6	48.1	0	0	0	0	115	F1617 I1622 Q1623	F1617-T1620 HydrophobicContact CD1-CG2 3.98Å; F1617-T1620 HydrophobicContact CE1-CG2 3.62Å; F1617-T1620 WeakPolarHBondContact CE1-OG1 3.33Å; F1617-T1620 HydrophobicContact CZ-CG2 3.66Å; T1620-I1622 VanDerWaalsContact C-N 3.26Å; T1620-I1622 PolarHBondContact O-N 3.04Å; T1620-I1622 VanDerWaalsContact O-N 3.12Å; T1620-Q1623 VanDerWaalsContact CB-CG 3.44Å; T1620-Q1623 HydrophobicContact CG2-CG 3.51Å; T1620-Q1623 WeakPolarHBondContact O-CB 3.35Å; T1620-Q1623 PolarHBondContact O-N 2.99Å
1621	S	45.6	Very low	49.3	Very low	90.8 Å²	90.8	117.4 Å²	117.4	64%	0.635	61%	0.607	S	S	*	*	H	α-helix	trans	-69.7	-15.7	179.6	58.4	0	0	0	0	114.5	G1619 K1625	G1619-S1621 PolarHBondContact O-N 3.46Å; S1621-K1625 WeakPolarHBondContact O-CB 3.25Å; S1621-K1625 VanDerWaalsContact O-CG 3.27Å; S1621-K1625 WeakPolarHBondContact O-CG 3.48Å; S1621-K1625 PolarHBondContact O-N 3.21Å
1622	I	47	Very low	50.8	Low	113.6 Å²	113.6	113.6 Å²	113.6	58%	0.583	60%	0.596	S	S	*	*	H	α-helix	trans	-74.4	-32.8	179.5	-61.1	173.4	0	0	0	111.7	T1620 Q1624 K1625 L1626	T1620-I1622 VanDerWaalsContact C-N 3.26Å; T1620-I1622 PolarHBondContact O-N 3.04Å; T1620-I1622 VanDerWaalsContact O-N 3.12Å; I1622-Q1624 PolarHBondContact O-N 3.27Å; I1622-K1625 PolarHBondContact O-N 3.21Å; I1622-L1626 HydrophobicContact CG2-CD1 3.79Å; I1622-L1626 PolarHBondContact O-N 3.43Å; I1622-L1626 VanDerWaalsContact O-N 3.12Å
1623	Q	49.7	Very low	52.1	Low	108.4 Å²	108.4	112.5 Å²	112.5	51%	0.507	59%	0.586	S	S	.	*	H	α-helix	trans	-64.7	-45.6	-173.4	-68.1	-73.8	-35.6	0	0	112.7	H1513 T1620 K1625 L1626 F1627	H1513-Q1623 PolarHBondContact CE1-OE1 3.19Å; H1513-Q1623 PolarHBondContact NE2-NE2 2.95Å; H1513-Q1623 PolarHBondContact NE2-OE1 2.84Å; T1620-Q1623 VanDerWaalsContact CB-CG 3.44Å; T1620-Q1623 HydrophobicContact CG2-CG 3.51Å; T1620-Q1623 WeakPolarHBondContact O-CB 3.35Å; T1620-Q1623 PolarHBondContact O-N 2.99Å; Q1623-K1625 VanDerWaalsContact C-N 3.32Å; Q1623-K1625 PolarHBondContact O-N 2.85Å; Q1623-L1626 PolarHBondContact O-N 3.18Å; Q1623-L1626 VanDerWaalsContact O-N 3.13Å; Q1623-F1627 PolarHBondContact O-N 2.87Å
1624	Q	50.6	Low	53.3	Low	110.4 Å²	110.4	109.6 Å²	109.6	52%	0.516	57%	0.566	S	S	.	*	H	α-helix	trans	-63.1	-32.3	177.8	-73.2	-177.8	-16.2	0	0	112.6	I1603 L1604 I1622 L1626 F1627	I1603-Q1624 PolarHBondContact O-NE2 3.4Å; L1604-Q1624 HydrophobicContact CD1-CG 4.36Å; L1604-Q1624 HydrophobicContact CD2-CG 3.72Å; I1622-Q1624 PolarHBondContact O-N 3.27Å; Q1624-L1626 VanDerWaalsContact C-N 3.28Å; Q1624-L1626 PolarHBondContact O-N 3.18Å; Q1624-F1627 PolarHBondContact O-N 3.47Å
1625	K	49.5	Very low	54.8	Low	170 Å²	170	105.7 Å²	105.7	74%	0.739	55%	0.545	S	S	*	.	H	α-helix	trans	-72.9	-18.7	-177.4	-130.1	174.6	-177.3	179.1	0	113.8	S1621 I1622 Q1623 P1629	S1621-K1625 WeakPolarHBondContact O-CB 3.25Å; S1621-K1625 VanDerWaalsContact O-CG 3.27Å; S1621-K1625 WeakPolarHBondContact O-CG 3.48Å; S1621-K1625 PolarHBondContact O-N 3.21Å; I1622-K1625 PolarHBondContact O-N 3.21Å; Q1623-K1625 VanDerWaalsContact C-N 3.32Å; Q1623-K1625 PolarHBondContact O-N 2.85Å; K1625-P1629 VanDerWaalsContact O-CD 3.28Å; K1625-P1629 WeakPolarHBondContact O-CD 3.43Å; K1625-P1629 WeakPolarHBondContact O-CG 3.46Å
1626	L	55.5	Low	56.6	Low	96.2 Å²	96.2	103.3 Å²	103.3	50%	0.504	53%	0.532	S	S	.	.	H	α-helix	trans	-95.3	-24.2	177.1	-113.6	101	0	0	0	113.6	I1622 Q1623 Q1624 P1629 N1630	I1622-L1626 HydrophobicContact CG2-CD1 3.79Å; I1622-L1626 PolarHBondContact O-N 3.43Å; I1622-L1626 VanDerWaalsContact O-N 3.12Å; Q1623-L1626 PolarHBondContact O-N 3.18Å; Q1623-L1626 VanDerWaalsContact O-N 3.13Å; Q1624-L1626 VanDerWaalsContact C-N 3.28Å; Q1624-L1626 PolarHBondContact O-N 3.18Å; L1626-P1629 WeakPolarHBondContact O-CD 3.31Å; L1626-P1629 WeakPolarHBondContact O-CG 3.38Å; L1626-N1630 WeakPolarHBondContact O-CB 3.4Å; L1626-N1630 VanDerWaalsContact O-CG 3.28Å; L1626-N1630 PolarHBondContact O-N 3.28Å; L1626-N1630 PolarHBondContact O-ND2 3.08Å
1627	F	59	Low	58.3	Low	70 Å²	70	98.6 Å²	98.6	31%	0.307	51%	0.514	S	S	.	.	H	α-helix	trans	-69.8	-44.7	-176.7	-168.2	-98.3	0	0	0	112.8	V1595 N1598 L1600 Q1623 Q1624 N1630 F1631	V1595-F1627 HydrophobicContact CG1-CE1 4.29Å; V1595-F1627 HydrophobicContact CG1-CZ 4.16Å; V1595-F1627 HydrophobicContact CG2-CZ 3.96Å; N1598-F1627 HydrophobicContact CB-CE2 3.84Å; N1598-F1627 HydrophobicContact CB-CZ 4.31Å; L1600-F1627 HydrophobicContact CD1-CD2 4.03Å; L1600-F1627 HydrophobicContact CD1-CE2 3.75Å; L1600-F1627 HydrophobicContact CD1-CZ 4.34Å; L1600-F1627 HydrophobicContact CD2-CD1 4.18Å; L1600-F1627 HydrophobicContact CD2-CD2 3.88Å; L1600-F1627 HydrophobicContact CD2-CE1 4.04Å; L1600-F1627 HydrophobicContact CD2-CE2 3.74Å; L1600-F1627 HydrophobicContact CD2-CG 4.11Å; L1600-F1627 HydrophobicContact CD2-CZ 3.82Å; L1600-F1627 HydrophobicContact CG-CE2 4.34Å; Q1623-F1627 PolarHBondContact O-N 2.87Å; Q1624-F1627 PolarHBondContact O-N 3.47Å; F1627-N1630 PolarHBondContact O-N 3.12Å; F1627-F1631 HydrophobicContact CE1-CB 4.49Å; F1627-F1631 VanDerWaalsContact O-CB 3.3Å; F1627-F1631 WeakPolarHBondContact O-CB 3.34Å; F1627-F1631 PolarHBondContact O-N 3.25Å
1628	I	64.2	Low	60	Low	115.6 Å²	115.6	92.4 Å²	92.4	59%	0.593	49%	0.488	S	S	*	.	H	α-helix	trans	-57.8	-53	179.8	-60.1	169.3	0	0	0	112.4	N1630 F1631 V1632	I1628-N1630 VanDerWaalsContact C-N 3.34Å; I1628-N1630 PolarHBondContact O-N 3.16Å; I1628-F1631 PolarHBondContact O-N 3.21Å; I1628-V1632 HydrophobicContact CG2-CG2 4.46Å; I1628-V1632 WeakPolarHBondContact O-CB 2.97Å; I1628-V1632 VanDerWaalsContact O-CG2 3.23Å; I1628-V1632 WeakPolarHBondContact O-CG2 3.37Å; I1628-V1632 PolarHBondContact O-N 3.13Å
1629	P	67.2	Low	61.8	Low	58.4 Å²	58.4	88.5 Å²	88.5	38%	0.379	47%	0.468	S	S	.	.	H	α-helix	trans	-63.7	-37.9	179.4	22.7	-32.6	0	0	0	112.8	K1625 L1626 F1631 V1632 Q1633	K1625-P1629 VanDerWaalsContact O-CD 3.28Å; K1625-P1629 WeakPolarHBondContact O-CD 3.43Å; K1625-P1629 WeakPolarHBondContact O-CG 3.46Å; L1626-P1629 WeakPolarHBondContact O-CD 3.31Å; L1626-P1629 WeakPolarHBondContact O-CG 3.38Å; P1629-F1631 VanDerWaalsContact C-N 3.34Å; P1629-F1631 PolarHBondContact O-N 3.37Å; P1629-V1632 PolarHBondContact O-N 3.31Å; P1629-Q1633 VanDerWaalsContact O-CB 3.23Å; P1629-Q1633 WeakPolarHBondContact O-CB 3.37Å; P1629-Q1633 PolarHBondContact O-N 3.24Å
1630	N	63.1	Low	63.3	Low	81 Å²	81	88.8 Å²	88.8	43%	0.433	46%	0.463	S	S	.	.	H	α-helix	trans	-64.4	-40.8	177.5	-72.6	-5.6	0	0	0	112.1	L1626 F1627 I1628 Q1633 S1634	L1626-N1630 WeakPolarHBondContact O-CB 3.4Å; L1626-N1630 VanDerWaalsContact O-CG 3.28Å; L1626-N1630 PolarHBondContact O-N 3.28Å; L1626-N1630 PolarHBondContact O-ND2 3.08Å; F1627-N1630 PolarHBondContact O-N 3.12Å; I1628-N1630 VanDerWaalsContact C-N 3.34Å; I1628-N1630 PolarHBondContact O-N 3.16Å; N1630-Q1633 PolarHBondContact O-N 3.19Å; N1630-S1634 WeakPolarHBondContact O-CB 3.25Å; N1630-S1634 PolarHBondContact O-N 3.1Å
1631	F	67.4	Low	64.7	Low	74.8 Å²	74.8	88.3 Å²	88.3	33%	0.328	45%	0.453	S	S	.	.	H	α-helix	trans	-65.3	-45.3	175.7	-177.9	-103.9	0	0	0	111.9	I1591 L1592 F1627 I1628 P1629 Q1633 S1634 L1635	I1591-F1631 HydrophobicContact CG2-CD2 4.19Å; I1591-F1631 HydrophobicContact CG2-CE2 3.8Å; L1592-F1631 HydrophobicContact CD2-CZ 4.46Å; F1627-F1631 HydrophobicContact CE1-CB 4.49Å; F1627-F1631 VanDerWaalsContact O-CB 3.3Å; F1627-F1631 WeakPolarHBondContact O-CB 3.34Å; F1627-F1631 PolarHBondContact O-N 3.25Å; I1628-F1631 PolarHBondContact O-N 3.21Å; P1629-F1631 VanDerWaalsContact C-N 3.34Å; P1629-F1631 PolarHBondContact O-N 3.37Å; F1631-Q1633 PolarHBondContact O-N 3.14Å; F1631-S1634 WeakPolarHBondContact O-CB 3.34Å; F1631-S1634 PolarHBondContact O-N 3.18Å; F1631-L1635 HydrophobicContact CD1-CD1 3.95Å; F1631-L1635 HydrophobicContact CE1-CD1 3.45Å; F1631-L1635 VanDerWaalsContact CE1-CD1 3.48Å; F1631-L1635 HydrophobicContact CE1-CG 4.36Å; F1631-L1635 HydrophobicContact CE2-CD1 4.38Å; F1631-L1635 HydrophobicContact CG-CD1 4.46Å; F1631-L1635 HydrophobicContact CZ-CD1 3.81Å; F1631-L1635 HydrophobicContact CZ-CG 4.41Å; F1631-L1635 WeakPolarHBondContact O-CB 3.49Å; F1631-L1635 PolarHBondContact O-N 3.21Å; F1631-L1635 VanDerWaalsContact O-N 3.09Å
1632	V	74.1	Confident	66.1	Low	85.6 Å²	85.6	85.5 Å²	85.5	52%	0.519	43%	0.431	S	S	.	.	H	α-helix	trans	-63.9	-41.1	176.6	172.9	0	0	0	0	111.5	I1628 P1629 S1634 L1635 F1636	I1628-V1632 HydrophobicContact CG2-CG2 4.46Å; I1628-V1632 WeakPolarHBondContact O-CB 2.97Å; I1628-V1632 VanDerWaalsContact O-CG2 3.23Å; I1628-V1632 WeakPolarHBondContact O-CG2 3.37Å; I1628-V1632 PolarHBondContact O-N 3.13Å; P1629-V1632 PolarHBondContact O-N 3.31Å; V1632-S1634 VanDerWaalsContact C-N 3.33Å; V1632-S1634 PolarHBondContact O-N 3.29Å; V1632-L1635 PolarHBondContact O-N 2.94Å; V1632-F1636 WeakPolarHBondContact O-CB 3.34Å; V1632-F1636 PolarHBondContact O-N 3.15Å
1633	Q	70.4	Confident	67.5	Low	115.8 Å²	115.8	84.1 Å²	84.1	54%	0.541	43%	0.425	S	S	.	.	H	α-helix	trans	-63.7	-39.7	175.8	-176.6	175.9	-8.5	0	0	111.8	P1629 N1630 F1631 F1636 A1637	P1629-Q1633 VanDerWaalsContact O-CB 3.23Å; P1629-Q1633 WeakPolarHBondContact O-CB 3.37Å; P1629-Q1633 PolarHBondContact O-N 3.24Å; N1630-Q1633 PolarHBondContact O-N 3.19Å; F1631-Q1633 PolarHBondContact O-N 3.14Å; Q1633-F1636 PolarHBondContact O-N 2.95Å; Q1633-A1637 WeakPolarHBondContact O-CB 3.31Å; Q1633-A1637 PolarHBondContact O-N 3.04Å
1634	S	70.1	Confident	68.7	Low	37 Å²	37	82.9 Å²	82.9	26%	0.259	42%	0.421	S	S	.	.	H	α-helix	trans	-62.2	-48.5	174.9	-169.1	0	0	0	0	111.7	N1630 F1631 V1632 F1636 A1637 Q1638	N1630-S1634 WeakPolarHBondContact O-CB 3.25Å; N1630-S1634 PolarHBondContact O-N 3.1Å; F1631-S1634 WeakPolarHBondContact O-CB 3.34Å; F1631-S1634 PolarHBondContact O-N 3.18Å; V1632-S1634 VanDerWaalsContact C-N 3.33Å; V1632-S1634 PolarHBondContact O-N 3.29Å; S1634-F1636 PolarHBondContact O-N 3.06Å; S1634-A1637 PolarHBondContact O-N 3.2Å; S1634-Q1638 VanDerWaalsContact O-CG 3.25Å; S1634-Q1638 WeakPolarHBondContact O-CG 3.32Å; S1634-Q1638 PolarHBondContact O-N 3.21Å
1635	L	73.5	Confident	69.8	Low	62.6 Å²	62.6	79.6 Å²	79.6	33%	0.328	41%	0.413	S	S	.	.	H	α-helix	trans	-61.3	-41.7	176	-76.1	172.7	0	0	0	112.4	I1588 F1631 V1632 Q1638 F1639	I1588-L1635 HydrophobicContact CD1-CD2 4.41Å; I1588-L1635 HydrophobicContact CG1-CD2 4.01Å; F1631-L1635 HydrophobicContact CD1-CD1 3.95Å; F1631-L1635 HydrophobicContact CE1-CD1 3.45Å; F1631-L1635 VanDerWaalsContact CE1-CD1 3.48Å; F1631-L1635 HydrophobicContact CE1-CG 4.36Å; F1631-L1635 HydrophobicContact CE2-CD1 4.38Å; F1631-L1635 HydrophobicContact CG-CD1 4.46Å; F1631-L1635 HydrophobicContact CZ-CD1 3.81Å; F1631-L1635 HydrophobicContact CZ-CG 4.41Å; F1631-L1635 WeakPolarHBondContact O-CB 3.49Å; F1631-L1635 PolarHBondContact O-N 3.21Å; F1631-L1635 VanDerWaalsContact O-N 3.09Å; V1632-L1635 PolarHBondContact O-N 2.94Å; L1635-Q1638 WeakPolarHBondContact O-CB 3.12Å; L1635-Q1638 PolarHBondContact O-N 2.99Å; L1635-F1639 WeakPolarHBondContact O-CB 3.29Å; L1635-F1639 PolarHBondContact O-N 2.85Å
1636	F	77.1	Confident	71.1	Confident	133.4 Å²	133.4	74.1 Å²	74.1	59%	0.585	39%	0.391	S	S	*	.	H	α-helix	trans	-66	-39.3	177.5	-176.1	-96.1	0	0	0	112.4	V1632 Q1633 S1634 Q1638 F1639 S1640	V1632-F1636 WeakPolarHBondContact O-CB 3.34Å; V1632-F1636 PolarHBondContact O-N 3.15Å; Q1633-F1636 PolarHBondContact O-N 2.95Å; S1634-F1636 PolarHBondContact O-N 3.06Å; F1636-Q1638 VanDerWaalsContact C-N 3.31Å; F1636-Q1638 PolarHBondContact O-N 3.16Å; F1636-F1639 PolarHBondContact O-N 3.23Å; F1636-S1640 VanDerWaalsContact O-CB 3.29Å; F1636-S1640 WeakPolarHBondContact O-CB 3.25Å; F1636-S1640 PolarHBondContact O-N 3.3Å; F1636-S1640 PolarHBondContact O-OG 3.35Å
1637	A	72.5	Confident	72.1	Confident	49 Å²	49	73.9 Å²	73.9	41%	0.405	39%	0.39	S	S	.	.	H	α-helix	trans	-64.2	-43	174.3	0	0	0	0	0	111.6	Q1633 S1634 S1640 F1641	Q1633-A1637 WeakPolarHBondContact O-CB 3.31Å; Q1633-A1637 PolarHBondContact O-N 3.04Å; S1634-A1637 PolarHBondContact O-N 3.2Å; A1637-S1640 PolarHBondContact O-N 3.22Å; A1637-F1641 WeakPolarHBondContact O-CB 3.34Å; A1637-F1641 PolarHBondContact O-N 3.36Å
1638	Q	73.5	Confident	72.9	Confident	34.4 Å²	34.4	74.1 Å²	74.1	16%	0.161	39%	0.394	C	S	.	.	H	α-helix	trans	-64.1	-42.8	175.3	-72.5	-178.7	-16	0	0	112.5	F1584 I1591 S1634 L1635 F1636 S1640 F1641 L1642	F1584-Q1638 HydrophobicContact CD2-CB 4.15Å; F1584-Q1638 HydrophobicContact CE2-CB 3.78Å; I1591-Q1638 HydrophobicContact CD1-CG 4.03Å; I1591-Q1638 VanDerWaalsContact CD1-NE2 3.3Å; I1591-Q1638 VanDerWaalsContact CG1-NE2 3.33Å; S1634-Q1638 VanDerWaalsContact O-CG 3.25Å; S1634-Q1638 WeakPolarHBondContact O-CG 3.32Å; S1634-Q1638 PolarHBondContact O-N 3.21Å; L1635-Q1638 WeakPolarHBondContact O-CB 3.12Å; L1635-Q1638 PolarHBondContact O-N 2.99Å; F1636-Q1638 VanDerWaalsContact C-N 3.31Å; F1636-Q1638 PolarHBondContact O-N 3.16Å; Q1638-S1640 VanDerWaalsContact C-N 3.34Å; Q1638-S1640 PolarHBondContact O-N 3.44Å; Q1638-F1641 PolarHBondContact O-N 3.06Å; Q1638-L1642 WeakPolarHBondContact O-CB 3.11Å; Q1638-L1642 PolarHBondContact O-N 3.11Å
1639	F	76.9	Confident	73.5	Confident	119.6 Å²	119.6	70.6 Å²	70.6	53%	0.525	38%	0.379	S	S	.	.	H	α-helix	trans	-63.4	-43	175.7	-180	-98.1	0	0	0	111.7	F1584 L1635 F1636 F1641 L1642 L1643	F1584-F1639 HydrophobicContact CE2-CB 4.45Å; F1584-F1639 HydrophobicContact CZ-CB 4.41Å; F1584-F1639 HydrophobicContact CZ-CD2 4.49Å; L1635-F1639 WeakPolarHBondContact O-CB 3.29Å; L1635-F1639 PolarHBondContact O-N 2.85Å; F1636-F1639 PolarHBondContact O-N 3.23Å; F1639-F1641 VanDerWaalsContact C-N 3.32Å; F1639-F1641 PolarHBondContact O-N 3.11Å; F1639-L1642 PolarHBondContact O-N 3.1Å; F1639-L1643 VanDerWaalsContact O-CB 3.25Å; F1639-L1643 WeakPolarHBondContact O-CB 3.31Å; F1639-L1643 PolarHBondContact O-N 3.08Å
1640	S	75.1	Confident	73.9	Confident	46.6 Å²	46.6	75.7 Å²	75.7	33%	0.326	39%	0.391	S	S	.	.	H	α-helix	trans	-62.7	-39.6	175.9	-60.3	0	0	0	0	112	F1636 A1637 Q1638 L1643 L1644	F1636-S1640 VanDerWaalsContact O-CB 3.29Å; F1636-S1640 WeakPolarHBondContact O-CB 3.25Å; F1636-S1640 PolarHBondContact O-N 3.3Å; F1636-S1640 PolarHBondContact O-OG 3.35Å; A1637-S1640 PolarHBondContact O-N 3.22Å; Q1638-S1640 VanDerWaalsContact C-N 3.34Å; Q1638-S1640 PolarHBondContact O-N 3.44Å; S1640-L1643 PolarHBondContact O-N 3.34Å; S1640-L1644 WeakPolarHBondContact O-CB 3.26Å; S1640-L1644 PolarHBondContact O-N 3.04Å
1641	F	76.8	Confident	74.7	Confident	80.4 Å²	80.4	74.6 Å²	74.6	35%	0.353	39%	0.389	S	S	.	.	H	α-helix	trans	-67.5	-43.8	175.1	-175.9	-96.5	0	0	0	112.2	M1528 L1529 I1583 A1637 Q1638 F1639 L1643 L1644 A1645	M1528-F1641 HydrophobicContact CB-CD1 3.82Å; M1528-F1641 HydrophobicContact CB-CE1 3.62Å; M1528-F1641 HydrophobicContact CE-CD2 4.43Å; M1528-F1641 HydrophobicContact CE-CE2 4.13Å; M1528-F1641 HydrophobicContact CE-CZ 4.03Å; M1528-F1641 HydrophobicContact SD-CE1 4.43Å; M1528-F1641 HydrophobicContact SD-CE2 3.75Å; M1528-F1641 HydrophobicContact SD-CZ 3.99Å; L1529-F1641 HydrophobicContact CB-CE1 4.24Å; L1529-F1641 HydrophobicContact CB-CE2 4.42Å; L1529-F1641 HydrophobicContact CB-CZ 3.58Å; L1529-F1641 HydrophobicContact CD1-CE2 4.09Å; L1529-F1641 HydrophobicContact CD1-CZ 3.96Å; L1529-F1641 HydrophobicContact CG-CZ 3.96Å; I1583-F1641 HydrophobicContact CB-CZ 4.49Å; I1583-F1641 HydrophobicContact CG2-CE1 4.07Å; I1583-F1641 HydrophobicContact CG2-CE2 4.27Å; I1583-F1641 HydrophobicContact CG2-CZ 3.43Å; I1583-F1641 VanDerWaalsContact CG2-CZ 3.43Å; A1637-F1641 WeakPolarHBondContact O-CB 3.34Å; A1637-F1641 PolarHBondContact O-N 3.36Å; Q1638-F1641 PolarHBondContact O-N 3.06Å; F1639-F1641 VanDerWaalsContact C-N 3.32Å; F1639-F1641 PolarHBondContact O-N 3.11Å; F1641-L1643 VanDerWaalsContact C-N 3.31Å; F1641-L1643 PolarHBondContact O-N 3.12Å; F1641-L1644 PolarHBondContact O-N 3.16Å; F1641-L1644 VanDerWaalsContact O-N 3.16Å; F1641-A1645 HydrophobicContact CE1-CB 4.25Å; F1641-A1645 HydrophobicContact CZ-CB 4.46Å; F1641-A1645 VanDerWaalsContact O-CB 3.3Å; F1641-A1645 WeakPolarHBondContact O-CB 3.36Å; F1641-A1645 PolarHBondContact O-N 3.18Å
1642	L	74.9	Confident	75.1	Confident	33 Å²	33	74.7 Å²	74.7	17%	0.173	39%	0.393	C	S	.	.	H	α-helix	trans	-58.6	-45.7	174.7	179.4	68.5	0	0	0	111.1	M1528 T1581 F1584 Q1638 F1639 L1644 A1645 I1646	M1528-L1642 HydrophobicContact CE-CD1 4.09Å; T1581-L1642 HydrophobicContact CG2-CD2 4.41Å; F1584-L1642 HydrophobicContact CB-CD2 4.01Å; F1584-L1642 HydrophobicContact CD1-CD2 3.97Å; F1584-L1642 HydrophobicContact CD2-CB 4.47Å; F1584-L1642 HydrophobicContact CD2-CD1 4.42Å; F1584-L1642 HydrophobicContact CD2-CD2 4.2Å; F1584-L1642 HydrophobicContact CE1-CD2 4.43Å; F1584-L1642 HydrophobicContact CE2-CD1 3.8Å; F1584-L1642 HydrophobicContact CG-CD2 3.81Å; Q1638-L1642 WeakPolarHBondContact O-CB 3.11Å; Q1638-L1642 PolarHBondContact O-N 3.11Å; F1639-L1642 PolarHBondContact O-N 3.1Å; L1642-L1644 VanDerWaalsContact C-N 3.35Å; L1642-L1644 PolarHBondContact O-N 3.07Å; L1642-A1645 PolarHBondContact O-N 3.19Å; L1642-I1646 HydrophobicContact CD1-CD1 4.04Å; L1642-I1646 HydrophobicContact CD1-CG1 4.46Å; L1642-I1646 HydrophobicContact CD2-CD1 4.38Å; L1642-I1646 HydrophobicContact CG-CD1 3.97Å; L1642-I1646 WeakPolarHBondContact O-CB 3.35Å; L1642-I1646 WeakPolarHBondContact O-CD1 3.3Å; L1642-I1646 VanDerWaalsContact O-CG1 3.26Å; L1642-I1646 WeakPolarHBondContact O-CG1 3.24Å; L1642-I1646 PolarHBondContact O-N 3.02Å
1643	L	76.1	Confident	75.3	Confident	84.8 Å²	84.8	72.8 Å²	72.8	44%	0.444	38%	0.378	S	S	.	.	H	α-helix	trans	-60.3	-46	176.5	-177.2	64.7	0	0	0	111.5	F1639 S1640 F1641 A1645 I1646 L1647	F1639-L1643 VanDerWaalsContact O-CB 3.25Å; F1639-L1643 WeakPolarHBondContact O-CB 3.31Å; F1639-L1643 PolarHBondContact O-N 3.08Å; S1640-L1643 PolarHBondContact O-N 3.34Å; F1641-L1643 VanDerWaalsContact C-N 3.31Å; F1641-L1643 PolarHBondContact O-N 3.12Å; L1643-A1645 VanDerWaalsContact C-N 3.34Å; L1643-A1645 PolarHBondContact O-N 3.2Å; L1643-I1646 PolarHBondContact O-N 3.36Å; L1643-I1646 VanDerWaalsContact O-N 3.16Å; L1643-L1647 HydrophobicContact CD1-CD1 4.02Å; L1643-L1647 HydrophobicContact CD1-CG 4.24Å; L1643-L1647 HydrophobicContact CD2-CD1 4.3Å; L1643-L1647 HydrophobicContact CG-CD1 3.87Å; L1643-L1647 HydrophobicContact CG-CG 4.49Å; L1643-L1647 VanDerWaalsContact O-CB 3.31Å; L1643-L1647 WeakPolarHBondContact O-CB 3.27Å; L1643-L1647 VanDerWaalsContact O-CG 3.3Å; L1643-L1647 WeakPolarHBondContact O-CG 3.32Å; L1643-L1647 PolarHBondContact O-N 3.2Å
1644	L	76.1	Confident	75.7	Confident	81.6 Å²	81.6	74.3 Å²	74.3	43%	0.427	38%	0.38	S	S	.	.	H	α-helix	trans	-63.9	-40.3	177.5	-172.9	62.9	0	0	0	112.1	F1330 S1640 F1641 L1642 I1646 L1647 L1648	F1330-L1644 HydrophobicContact CE1-CD1 4.18Å; F1330-L1644 HydrophobicContact CE1-CD2 4.25Å; F1330-L1644 HydrophobicContact CE2-CD1 4.43Å; F1330-L1644 HydrophobicContact CE2-CD2 3.66Å; F1330-L1644 HydrophobicContact CE2-CG 3.99Å; F1330-L1644 HydrophobicContact CZ-CD1 4.28Å; F1330-L1644 HydrophobicContact CZ-CD2 3.5Å; F1330-L1644 VanDerWaalsContact CZ-CD2 3.5Å; F1330-L1644 HydrophobicContact CZ-CG 4.01Å; S1640-L1644 WeakPolarHBondContact O-CB 3.26Å; S1640-L1644 PolarHBondContact O-N 3.04Å; F1641-L1644 PolarHBondContact O-N 3.16Å; F1641-L1644 VanDerWaalsContact O-N 3.16Å; L1642-L1644 VanDerWaalsContact C-N 3.35Å; L1642-L1644 PolarHBondContact O-N 3.07Å; L1644-I1646 VanDerWaalsContact C-N 3.27Å; L1644-I1646 PolarHBondContact O-N 3.16Å; L1644-L1647 PolarHBondContact O-N 3.18Å; L1644-L1648 HydrophobicContact CD1-CD1 3.69Å; L1644-L1648 HydrophobicContact CD1-CD2 4.45Å; L1644-L1648 HydrophobicContact CD1-CG 3.83Å; L1644-L1648 HydrophobicContact CD2-CD1 4.37Å; L1644-L1648 HydrophobicContact CG-CD1 3.89Å; L1644-L1648 HydrophobicContact CG-CG 4.19Å; L1644-L1648 VanDerWaalsContact O-CB 3.22Å; L1644-L1648 WeakPolarHBondContact O-CB 3.41Å; L1644-L1648 PolarHBondContact O-N 3.07Å
1645	A	73.5	Confident	76.1	Confident	41.6 Å²	41.6	78 Å²	78	34%	0.344	39%	0.393	S	S	.	.	H	α-helix	trans	-66.9	-24.8	176.5	0	0	0	0	0	113.3	T1532 F1641 L1642 L1643 P1649	T1532-A1645 HydrophobicContact CG2-CB 4.17Å; F1641-A1645 HydrophobicContact CE1-CB 4.25Å; F1641-A1645 HydrophobicContact CZ-CB 4.46Å; F1641-A1645 VanDerWaalsContact O-CB 3.3Å; F1641-A1645 WeakPolarHBondContact O-CB 3.36Å; F1641-A1645 PolarHBondContact O-N 3.18Å; L1642-A1645 PolarHBondContact O-N 3.19Å; L1643-A1645 VanDerWaalsContact C-N 3.34Å; L1643-A1645 PolarHBondContact O-N 3.2Å; A1645-P1649 WeakPolarHBondContact O-CD 3.4Å; A1645-P1649 VanDerWaalsContact O-CG 3.24Å; A1645-P1649 WeakPolarHBondContact O-CG 3.37Å
1646	I	75.4	Confident	76.2	Confident	54.6 Å²	54.6	77.8 Å²	77.8	28%	0.28	40%	0.396	S	S	.	.	H	α-helix	trans	-83	-38.3	172.8	-67.5	162.5	0	0	0	111.3	Q1573 F1577 L1642 L1643 L1644	Q1573-I1646 PolarHBondContact NE2-O 3.01Å; Q1573-I1646 VanDerWaalsContact NE2-O 3.08Å; F1577-I1646 HydrophobicContact CD2-CD1 3.76Å; F1577-I1646 HydrophobicContact CD2-CG1 4.36Å; F1577-I1646 HydrophobicContact CE2-CD1 4.11Å; L1642-I1646 HydrophobicContact CD1-CD1 4.04Å; L1642-I1646 HydrophobicContact CD1-CG1 4.46Å; L1642-I1646 HydrophobicContact CD2-CD1 4.38Å; L1642-I1646 HydrophobicContact CG-CD1 3.97Å; L1642-I1646 WeakPolarHBondContact O-CB 3.35Å; L1642-I1646 WeakPolarHBondContact O-CD1 3.3Å; L1642-I1646 VanDerWaalsContact O-CG1 3.26Å; L1642-I1646 WeakPolarHBondContact O-CG1 3.24Å; L1642-I1646 PolarHBondContact O-N 3.02Å; L1643-I1646 PolarHBondContact O-N 3.36Å; L1643-I1646 VanDerWaalsContact O-N 3.16Å; L1644-I1646 VanDerWaalsContact C-N 3.27Å; L1644-I1646 PolarHBondContact O-N 3.16Å
1647	L	76.4	Confident	76.5	Confident	92 Å²	92	77.5 Å²	77.5	48%	0.482	39%	0.391	S	S	.	.	H	α-helix	trans	-77.9	-40.8	-175.6	-71.3	173.7	0	0	0	113.5	L1643 L1644 R1650 S1651	L1643-L1647 HydrophobicContact CD1-CD1 4.02Å; L1643-L1647 HydrophobicContact CD1-CG 4.24Å; L1643-L1647 HydrophobicContact CD2-CD1 4.3Å; L1643-L1647 HydrophobicContact CG-CD1 3.87Å; L1643-L1647 HydrophobicContact CG-CG 4.49Å; L1643-L1647 VanDerWaalsContact O-CB 3.31Å; L1643-L1647 WeakPolarHBondContact O-CB 3.27Å; L1643-L1647 VanDerWaalsContact O-CG 3.3Å; L1643-L1647 WeakPolarHBondContact O-CG 3.32Å; L1643-L1647 PolarHBondContact O-N 3.2Å; L1644-L1647 PolarHBondContact O-N 3.18Å; L1647-R1650 WeakPolarHBondContact O-CB 3.2Å; L1647-R1650 PolarHBondContact O-N 3.22Å; L1647-R1650 VanDerWaalsContact O-N 3.17Å; L1647-S1651 WeakPolarHBondContact O-CB 3.37Å; L1647-S1651 PolarHBondContact O-N 3.19Å; L1647-S1651 PolarHBondContact O-OG 2.82Å
1648	L	76.7	Confident	76.9	Confident	73.8 Å²	73.8	77.9 Å²	77.9	39%	0.386	39%	0.386	S	S	.	.	H	α-helix	trans	-63.3	-46.5	-175.4	-137.3	89.2	0	0	0	113.3	F1330 L1644 R1650 S1651 L1652	F1330-L1648 HydrophobicContact CD2-CD2 4.31Å; F1330-L1648 HydrophobicContact CE2-CD2 3.94Å; L1644-L1648 HydrophobicContact CD1-CD1 3.69Å; L1644-L1648 HydrophobicContact CD1-CD2 4.45Å; L1644-L1648 HydrophobicContact CD1-CG 3.83Å; L1644-L1648 HydrophobicContact CD2-CD1 4.37Å; L1644-L1648 HydrophobicContact CG-CD1 3.89Å; L1644-L1648 HydrophobicContact CG-CG 4.19Å; L1644-L1648 VanDerWaalsContact O-CB 3.22Å; L1644-L1648 WeakPolarHBondContact O-CB 3.41Å; L1644-L1648 PolarHBondContact O-N 3.07Å; L1648-R1650 VanDerWaalsContact C-N 3.33Å; L1648-R1650 PolarHBondContact O-N 3.15Å; L1648-S1651 PolarHBondContact O-N 3.03Å; L1648-S1651 PolarHBondContact O-OG 3.19Å; L1648-S1651 VanDerWaalsContact O-OG 3.07Å; L1648-L1652 HydrophobicContact CG-CD1 4.37Å; L1648-L1652 VanDerWaalsContact O-CG 3.31Å; L1648-L1652 WeakPolarHBondContact O-CG 3.36Å; L1648-L1652 PolarHBondContact O-N 3.08Å; L1648-L1652 VanDerWaalsContact O-N 3.13Å
1649	P	76.3	Confident	77.2	Confident	43.4 Å²	43.4	82.3 Å²	82.3	28%	0.282	41%	0.408	S	S	.	.	H	α-helix	trans	-63.3	-34.1	175.8	-22.7	35.2	0	0	0	112.5	A1645 L1652 E1653	A1645-P1649 WeakPolarHBondContact O-CD 3.4Å; A1645-P1649 VanDerWaalsContact O-CG 3.24Å; A1645-P1649 WeakPolarHBondContact O-CG 3.37Å; P1649-L1652 PolarHBondContact O-N 3.4Å; P1649-E1653 VanDerWaalsContact O-CB 3.25Å; P1649-E1653 WeakPolarHBondContact O-CB 3.34Å; P1649-E1653 PolarHBondContact O-N 3.17Å
1650	R	76.6	Confident	77.5	Confident	165.2 Å²	165.2	81.3 Å²	81.3	62%	0.623	41%	0.405	S	S	*	.	H	α-helix	trans	-69.3	-41	179.1	-161.6	177.7	176.9	151.7	0.3	112.3	L1647 L1648 L1652 E1653 Y1654	L1647-R1650 WeakPolarHBondContact O-CB 3.2Å; L1647-R1650 PolarHBondContact O-N 3.22Å; L1647-R1650 VanDerWaalsContact O-N 3.17Å; L1648-R1650 VanDerWaalsContact C-N 3.33Å; L1648-R1650 PolarHBondContact O-N 3.15Å; R1650-L1652 VanDerWaalsContact C-N 3.25Å; R1650-L1652 PolarHBondContact O-N 2.98Å; R1650-E1653 PolarHBondContact O-N 3.35Å; R1650-Y1654 WeakPolarHBondContact O-CB 3.38Å; R1650-Y1654 PolarHBondContact O-N 3.05Å; R1650-Y1654 VanDerWaalsContact O-N 3.11Å
1651	S	79.1	Confident	77.9	Confident	58.4 Å²	58.4	84.4 Å²	84.4	41%	0.408	42%	0.415	S	S	.	.	H	α-helix	trans	-68.6	-39.2	176.4	64.4	0	0	0	0	111.9	L1647 L1648 Y1654 Q1655	L1647-S1651 WeakPolarHBondContact O-CB 3.37Å; L1647-S1651 PolarHBondContact O-N 3.19Å; L1647-S1651 PolarHBondContact O-OG 2.82Å; L1648-S1651 PolarHBondContact O-N 3.03Å; L1648-S1651 PolarHBondContact O-OG 3.19Å; L1648-S1651 VanDerWaalsContact O-OG 3.07Å; S1651-Y1654 PolarHBondContact O-N 3.17Å; S1651-Q1655 WeakPolarHBondContact O-CG 3.42Å; S1651-Q1655 PolarHBondContact O-N 3.04Å; S1651-Q1655 VanDerWaalsContact O-N 3.11Å
1652	L	76	Confident	78	Confident	75.2 Å²	75.2	89.2 Å²	89.2	39%	0.394	43%	0.43	S	S	.	.	H	α-helix	trans	-65.9	-44.8	175	-83.6	167.3	0	0	0	112	I1326 L1648 P1649 R1650 Y1654 Q1655 C1656	I1326-L1652 HydrophobicContact CD1-CD1 4.06Å; I1326-L1652 HydrophobicContact CD1-CD2 3.65Å; I1326-L1652 HydrophobicContact CG1-CD2 4.45Å; L1648-L1652 HydrophobicContact CG-CD1 4.37Å; L1648-L1652 VanDerWaalsContact O-CG 3.31Å; L1648-L1652 WeakPolarHBondContact O-CG 3.36Å; L1648-L1652 PolarHBondContact O-N 3.08Å; L1648-L1652 VanDerWaalsContact O-N 3.13Å; P1649-L1652 PolarHBondContact O-N 3.4Å; R1650-L1652 VanDerWaalsContact C-N 3.25Å; R1650-L1652 PolarHBondContact O-N 2.98Å; L1652-Y1654 VanDerWaalsContact C-N 3.3Å; L1652-Y1654 PolarHBondContact O-N 3.25Å; L1652-Q1655 PolarHBondContact O-N 3.41Å; L1652-Q1655 VanDerWaalsContact O-N 3.15Å; L1652-C1656 PolarHBondContact O-N 3.16Å; L1652-C1656 PolarHBondContact O-SG 3.08Å; L1652-C1656 VanDerWaalsContact O-SG 3.35Å
1653	E	78.6	Confident	78.4	Confident	47.2 Å²	47.2	93.5 Å²	93.5	22%	0.221	45%	0.448	C	S	.	.	H	α-helix	trans	-60.3	-41.3	176	-168.5	-171.4	141.8	0	0	111.7	I1569 R1576 P1649 R1650 Q1655 C1656 R1657	I1569-E1653 HydrophobicContact CG2-CG 4.27Å; R1576-E1653 IonicContact CZ-OE2 2.71Å; R1576-E1653 IonicContact NH1-OE2 2.82Å; R1576-E1653 PolarHBondContact NH1-OE2 3.06Å; R1576-E1653 IonicContact NH2-OE2 2.63Å; R1576-E1653 PolarHBondContact NH2-OE2 2.79Å; P1649-E1653 VanDerWaalsContact O-CB 3.25Å; P1649-E1653 WeakPolarHBondContact O-CB 3.34Å; P1649-E1653 PolarHBondContact O-N 3.17Å; R1650-E1653 PolarHBondContact O-N 3.35Å; E1653-Q1655 VanDerWaalsContact C-N 3.35Å; E1653-Q1655 PolarHBondContact O-N 3.26Å; E1653-C1656 PolarHBondContact O-N 3.29Å; E1653-R1657 WeakPolarHBondContact O-CB 3.35Å; E1653-R1657 VanDerWaalsContact O-CG 3.29Å; E1653-R1657 WeakPolarHBondContact O-CG 3.37Å; E1653-R1657 PolarHBondContact O-N 2.85Å; E1653-R1657 IonicContact OE1-CZ 3.04Å; E1653-R1657 VanDerWaalsContact OE1-CZ 3.26Å; E1653-R1657 IonicContact OE1-NE 3.05Å; E1653-R1657 PolarHBondContact OE1-NE 3.3Å; E1653-R1657 IonicContact OE1-NH2 2.68Å; E1653-R1657 PolarHBondContact OE1-NH2 3.15Å
1654	Y	78.2	Confident	78.7	Confident	146.8 Å²	146.8	94.3 Å²	94.3	58%	0.576	45%	0.45	S	S	*	.	H	α-helix	trans	-60.5	-44.8	174.5	-179.9	-102.6	0	0	0	112.1	R1650 S1651 L1652 R1657 L1658	R1650-Y1654 WeakPolarHBondContact O-CB 3.38Å; R1650-Y1654 PolarHBondContact O-N 3.05Å; R1650-Y1654 VanDerWaalsContact O-N 3.11Å; S1651-Y1654 PolarHBondContact O-N 3.17Å; L1652-Y1654 VanDerWaalsContact C-N 3.3Å; L1652-Y1654 PolarHBondContact O-N 3.25Å; Y1654-R1657 PolarHBondContact O-N 3.13Å; Y1654-L1658 HydrophobicContact CD1-CD1 3.98Å; Y1654-L1658 HydrophobicContact CE1-CD1 3.45Å; Y1654-L1658 VanDerWaalsContact CE1-CD1 3.45Å; Y1654-L1658 HydrophobicContact CE1-CD2 4.28Å; Y1654-L1658 HydrophobicContact CE1-CG 4.28Å; Y1654-L1658 HydrophobicContact CE2-CD1 4.4Å; Y1654-L1658 HydrophobicContact CE2-CG 4.49Å; Y1654-L1658 VanDerWaalsContact O-CB 3.29Å; Y1654-L1658 WeakPolarHBondContact O-CB 3.26Å; Y1654-L1658 WeakPolarHBondContact O-CG 3.43Å; Y1654-L1658 PolarHBondContact O-N 3.17Å
1655	Q	78.1	Confident	79.3	Confident	113.8 Å²	113.8	96.8 Å²	96.8	53%	0.532	46%	0.458	S	S	.	.	H	α-helix	trans	-63.8	-41.7	175.7	-71	-138.1	-10.7	0	0	112.4	S1651 L1652 E1653 L1658 M1659	S1651-Q1655 WeakPolarHBondContact O-CG 3.42Å; S1651-Q1655 PolarHBondContact O-N 3.04Å; S1651-Q1655 VanDerWaalsContact O-N 3.11Å; L1652-Q1655 PolarHBondContact O-N 3.41Å; L1652-Q1655 VanDerWaalsContact O-N 3.15Å; E1653-Q1655 VanDerWaalsContact C-N 3.35Å; E1653-Q1655 PolarHBondContact O-N 3.26Å; Q1655-L1658 PolarHBondContact O-N 2.98Å; Q1655-M1659 VanDerWaalsContact O-CB 3.32Å; Q1655-M1659 WeakPolarHBondContact O-CB 3.42Å; Q1655-M1659 PolarHBondContact O-N 3.17Å
1656	C	77	Confident	79.6	Confident	58.4 Å²	58.4	98.5 Å²	98.5	40%	0.395	47%	0.467	S	S	.	.	H	α-helix	trans	-63.1	-43.9	175.4	-68.8	0	0	0	0	112.3	L1652 E1653 M1659 H1660	L1652-C1656 PolarHBondContact O-N 3.16Å; L1652-C1656 PolarHBondContact O-SG 3.08Å; L1652-C1656 VanDerWaalsContact O-SG 3.35Å; E1653-C1656 PolarHBondContact O-N 3.29Å; C1656-M1659 PolarHBondContact O-N 3.13Å; C1656-H1660 WeakPolarHBondContact O-CB 3.27Å; C1656-H1660 PolarHBondContact O-N 2.91Å
1657	R	82.5	Confident	80.1	Confident	128.4 Å²	128.4	99.8 Å²	99.8	49%	0.485	47%	0.472	S	S	.	.	H	α-helix	trans	-61.9	-43.5	175.9	-74	175.7	-178.2	-103	4.6	111.6	E1653 Y1654 H1660 Q1661	E1653-R1657 WeakPolarHBondContact O-CB 3.35Å; E1653-R1657 VanDerWaalsContact O-CG 3.29Å; E1653-R1657 WeakPolarHBondContact O-CG 3.37Å; E1653-R1657 PolarHBondContact O-N 2.85Å; E1653-R1657 IonicContact OE1-CZ 3.04Å; E1653-R1657 VanDerWaalsContact OE1-CZ 3.26Å; E1653-R1657 IonicContact OE1-NE 3.05Å; E1653-R1657 PolarHBondContact OE1-NE 3.3Å; E1653-R1657 IonicContact OE1-NH2 2.68Å; E1653-R1657 PolarHBondContact OE1-NH2 3.15Å; Y1654-R1657 PolarHBondContact O-N 3.13Å; R1657-H1660 WeakPolarHBondContact O-CB 3.25Å; R1657-H1660 PolarHBondContact O-N 3.11Å; R1657-Q1661 WeakPolarHBondContact O-CG 3.28Å; R1657-Q1661 PolarHBondContact O-N 3.03Å; R1657-Q1661 VanDerWaalsContact O-N 3.11Å
1658	L	80.4	Confident	80.6	Confident	56.4 Å²	56.4	97.7 Å²	97.7	30%	0.295	47%	0.465	S	S	.	.	H	α-helix	trans	-62.2	-49.7	175.2	-111.6	138.4	0	0	0	111.4	Y1654 Q1655 H1660 Q1661 W1662	Y1654-L1658 HydrophobicContact CD1-CD1 3.98Å; Y1654-L1658 HydrophobicContact CE1-CD1 3.45Å; Y1654-L1658 VanDerWaalsContact CE1-CD1 3.45Å; Y1654-L1658 HydrophobicContact CE1-CD2 4.28Å; Y1654-L1658 HydrophobicContact CE1-CG 4.28Å; Y1654-L1658 HydrophobicContact CE2-CD1 4.4Å; Y1654-L1658 HydrophobicContact CE2-CG 4.49Å; Y1654-L1658 VanDerWaalsContact O-CB 3.29Å; Y1654-L1658 WeakPolarHBondContact O-CB 3.26Å; Y1654-L1658 WeakPolarHBondContact O-CG 3.43Å; Y1654-L1658 PolarHBondContact O-N 3.17Å; Q1655-L1658 PolarHBondContact O-N 2.98Å; L1658-H1660 VanDerWaalsContact C-N 3.28Å; L1658-H1660 PolarHBondContact O-N 3.18Å; L1658-Q1661 WeakPolarHBondContact O-CB 3.36Å; L1658-Q1661 PolarHBondContact O-N 3.17Å; L1658-Q1661 VanDerWaalsContact O-N 3.16Å; L1658-W1662 WeakPolarHBondContact O-CB 3.25Å; L1658-W1662 PolarHBondContact O-N 3.18Å
1659	M	81.3	Confident	80.8	Confident	127.8 Å²	127.8	98 Å²	98	63%	0.63	47%	0.47	S	S	*	.	H	α-helix	trans	-59.7	-38.2	179.3	-173.1	172.7	69.1	0	0	112.1	Q1655 C1656 W1662 K1663	Q1655-M1659 VanDerWaalsContact O-CB 3.32Å; Q1655-M1659 WeakPolarHBondContact O-CB 3.42Å; Q1655-M1659 PolarHBondContact O-N 3.17Å; C1656-M1659 PolarHBondContact O-N 3.13Å; M1659-W1662 PolarHBondContact O-N 3.19Å; M1659-K1663 WeakPolarHBondContact O-CB 3.35Å; M1659-K1663 PolarHBondContact O-N 3.12Å
1660	H	81.6	Confident	81.2	Confident	98.8 Å²	98.8	101.1 Å²	101.1	46%	0.457	48%	0.483	S	S	.	.	H	α-helix	trans	-62.3	-46.1	173	-174	-88.6	0	0	0	112.1	C1656 R1657 L1658 W1662 K1663 M1664	C1656-H1660 WeakPolarHBondContact O-CB 3.27Å; C1656-H1660 PolarHBondContact O-N 2.91Å; R1657-H1660 WeakPolarHBondContact O-CB 3.25Å; R1657-H1660 PolarHBondContact O-N 3.11Å; L1658-H1660 VanDerWaalsContact C-N 3.28Å; L1658-H1660 PolarHBondContact O-N 3.18Å; H1660-W1662 VanDerWaalsContact C-N 3.31Å; H1660-W1662 PolarHBondContact O-N 3.01Å; H1660-K1663 WeakPolarHBondContact O-CB 3.37Å; H1660-K1663 PolarHBondContact O-N 3.07Å; H1660-M1664 WeakPolarHBondContact O-CG 3.31Å; H1660-M1664 PolarHBondContact O-N 3.14Å
1661	Q	84.2	Confident	81.7	Confident	111.2 Å²	111.2	98.9 Å²	98.9	52%	0.52	48%	0.48	S	S	.	.	H	α-helix	trans	-62.3	-39.3	175.8	-72.6	-176.7	-5.3	0	0	112.7	R1657 L1658 M1664 K1665	R1657-Q1661 WeakPolarHBondContact O-CG 3.28Å; R1657-Q1661 PolarHBondContact O-N 3.03Å; R1657-Q1661 VanDerWaalsContact O-N 3.11Å; L1658-Q1661 WeakPolarHBondContact O-CB 3.36Å; L1658-Q1661 PolarHBondContact O-N 3.17Å; L1658-Q1661 VanDerWaalsContact O-N 3.16Å; Q1661-M1664 PolarHBondContact O-N 3.02Å; Q1661-K1665 VanDerWaalsContact O-CB 3.31Å; Q1661-K1665 WeakPolarHBondContact O-CB 3.39Å; Q1661-K1665 VanDerWaalsContact O-CG 3.3Å; Q1661-K1665 WeakPolarHBondContact O-CG 3.41Å; Q1661-K1665 PolarHBondContact O-N 3.23Å
1662	W	78.8	Confident	82.1	Confident	180.8 Å²	180.8	102.8 Å²	102.8	69%	0.685	49%	0.49	S	S	*	.	H	α-helix	trans	-64.1	-42.7	174.4	-75.3	99	0	0	0	111.9	L1658 M1659 H1660 K1665 S1666	L1658-W1662 WeakPolarHBondContact O-CB 3.25Å; L1658-W1662 PolarHBondContact O-N 3.18Å; M1659-W1662 PolarHBondContact O-N 3.19Å; H1660-W1662 VanDerWaalsContact C-N 3.31Å; H1660-W1662 PolarHBondContact O-N 3.01Å; W1662-K1665 PolarHBondContact O-N 3.27Å; W1662-S1666 VanDerWaalsContact O-CB 3.29Å; W1662-S1666 WeakPolarHBondContact O-CB 3.37Å; W1662-S1666 PolarHBondContact O-N 3.21Å
1663	K	84.4	Confident	82.4	Confident	123 Å²	123	103.6 Å²	103.6	54%	0.535	49%	0.494	S	S	.	.	H	α-helix	trans	-60.3	-50.5	175.8	-172.5	-175.5	177	-173.7	0	111.5	E1547 M1659 H1660 K1665 S1666 Q1667	E1547-K1663 IonicContact OE1-NZ 3.27Å; M1659-K1663 WeakPolarHBondContact O-CB 3.35Å; M1659-K1663 PolarHBondContact O-N 3.12Å; H1660-K1663 WeakPolarHBondContact O-CB 3.37Å; H1660-K1663 PolarHBondContact O-N 3.07Å; K1663-K1665 PolarHBondContact O-N 3.06Å; K1663-S1666 WeakPolarHBondContact O-CB 3.46Å; K1663-S1666 PolarHBondContact O-N 3.19Å; K1663-S1666 VanDerWaalsContact O-N 3.16Å; K1663-Q1667 WeakPolarHBondContact O-CG 3.31Å; K1663-Q1667 PolarHBondContact O-N 3.33Å
1664	M	81.3	Confident	82.6	Confident	102.4 Å²	102.4	104.6 Å²	104.6	50%	0.504	51%	0.506	S	S	.	.	H	α-helix	trans	-62.1	-42.5	179.2	-67	-59.9	-70.4	0	0	112.3	H1660 Q1661 S1666 Q1667 S1668	H1660-M1664 WeakPolarHBondContact O-CG 3.31Å; H1660-M1664 PolarHBondContact O-N 3.14Å; Q1661-M1664 PolarHBondContact O-N 3.02Å; M1664-S1666 VanDerWaalsContact C-N 3.34Å; M1664-S1666 PolarHBondContact O-N 3.13Å; M1664-Q1667 PolarHBondContact O-N 3.1Å; M1664-S1668 WeakPolarHBondContact O-CB 3.35Å; M1664-S1668 PolarHBondContact O-N 3.12Å; M1664-S1668 PolarHBondContact O-OG 3.3Å; M1664-S1668 VanDerWaalsContact O-OG 3.14Å
1665	K	88.8	Confident	82.8	Confident	134.4 Å²	134.4	103.6 Å²	103.6	58%	0.584	51%	0.51	S	S	*	.	H	α-helix	trans	-62.8	-42.7	174.8	-89.5	177.1	179.7	-179.4	0	111.7	Q1661 W1662 K1663 Q1667 S1668 T1669	Q1661-K1665 VanDerWaalsContact O-CB 3.31Å; Q1661-K1665 WeakPolarHBondContact O-CB 3.39Å; Q1661-K1665 VanDerWaalsContact O-CG 3.3Å; Q1661-K1665 WeakPolarHBondContact O-CG 3.41Å; Q1661-K1665 PolarHBondContact O-N 3.23Å; W1662-K1665 PolarHBondContact O-N 3.27Å; K1663-K1665 PolarHBondContact O-N 3.06Å; K1665-Q1667 VanDerWaalsContact C-N 3.3Å; K1665-Q1667 PolarHBondContact O-N 3.09Å; K1665-S1668 PolarHBondContact O-N 2.85Å; K1665-S1668 VanDerWaalsContact O-N 3.16Å; K1665-S1668 PolarHBondContact O-OG 3.35Å; K1665-S1668 VanDerWaalsContact O-OG 3.14Å; K1665-T1669 WeakPolarHBondContact O-CB 3.44Å; K1665-T1669 WeakPolarHBondContact O-CG2 2.86Å; K1665-T1669 PolarHBondContact O-N 3.41Å; K1665-T1669 VanDerWaalsContact O-N 3.15Å; K1665-T1669 PolarHBondContact O-OG1 3.02Å; K1665-T1669 VanDerWaalsContact O-OG1 3.09Å
1666	S	80.8	Confident	83	Confident	76.6 Å²	76.6	102 Å²	102	54%	0.536	51%	0.508	S	S	.	.	H	α-helix	trans	-61.5	-45.4	176.8	-175.4	0	0	0	0	112.1	W1662 K1663 M1664 T1669 L1670	W1662-S1666 VanDerWaalsContact O-CB 3.29Å; W1662-S1666 WeakPolarHBondContact O-CB 3.37Å; W1662-S1666 PolarHBondContact O-N 3.21Å; K1663-S1666 WeakPolarHBondContact O-CB 3.46Å; K1663-S1666 PolarHBondContact O-N 3.19Å; K1663-S1666 VanDerWaalsContact O-N 3.16Å; M1664-S1666 VanDerWaalsContact C-N 3.34Å; M1664-S1666 PolarHBondContact O-N 3.13Å; S1666-T1669 VanDerWaalsContact CA-OG1 3.32Å; S1666-T1669 WeakPolarHBondContact CA-OG1 3.16Å; S1666-T1669 WeakPolarHBondContact O-CB 3.4Å; S1666-T1669 PolarHBondContact O-N 3.19Å; S1666-T1669 VanDerWaalsContact O-N 3.12Å; S1666-T1669 PolarHBondContact O-OG1 3.37Å; S1666-L1670 VanDerWaalsContact O-CB 3.32Å; S1666-L1670 WeakPolarHBondContact O-CB 3.39Å; S1666-L1670 PolarHBondContact O-N 3.08Å
1667	Q	85.4	Confident	83.2	Confident	82 Å²	82	102.3 Å²	102.3	38%	0.383	51%	0.511	S	S	.	.	H	α-helix	trans	-62.2	-48	176.8	-71	179.9	-89.9	0	0	111.8	K1663 M1664 K1665 T1669 L1670 E1671	K1663-Q1667 WeakPolarHBondContact O-CG 3.31Å; K1663-Q1667 PolarHBondContact O-N 3.33Å; M1664-Q1667 PolarHBondContact O-N 3.1Å; K1665-Q1667 VanDerWaalsContact C-N 3.3Å; K1665-Q1667 PolarHBondContact O-N 3.09Å; Q1667-T1669 VanDerWaalsContact C-N 3.28Å; Q1667-T1669 PolarHBondContact O-N 3.24Å; Q1667-L1670 WeakPolarHBondContact O-CA 3.49Å; Q1667-L1670 WeakPolarHBondContact O-CB 3.29Å; Q1667-L1670 PolarHBondContact O-N 3.18Å; Q1667-L1670 VanDerWaalsContact O-N 3.1Å; Q1667-E1671 WeakPolarHBondContact O-CG 3.45Å; Q1667-E1671 PolarHBondContact O-N 3.04Å
1668	S	86.3	Confident	82.9	Confident	48.4 Å²	48.4	98.6 Å²	98.6	34%	0.338	51%	0.505	S	S	.	.	H	α-helix	trans	-63.7	-28.2	176.7	81.1	0	0	0	0	113.6	M1664 K1665 K1672	M1664-S1668 WeakPolarHBondContact O-CB 3.35Å; M1664-S1668 PolarHBondContact O-N 3.12Å; M1664-S1668 PolarHBondContact O-OG 3.3Å; M1664-S1668 VanDerWaalsContact O-OG 3.14Å; K1665-S1668 PolarHBondContact O-N 2.85Å; K1665-S1668 VanDerWaalsContact O-N 3.16Å; K1665-S1668 PolarHBondContact O-OG 3.35Å; K1665-S1668 VanDerWaalsContact O-OG 3.14Å; S1668-K1672 WeakPolarHBondContact O-CB 3.42Å; S1668-K1672 VanDerWaalsContact O-CD 3.23Å; S1668-K1672 WeakPolarHBondContact O-CD 3.34Å; S1668-K1672 VanDerWaalsContact O-CG 3.26Å; S1668-K1672 WeakPolarHBondContact O-CG 3.43Å; S1668-K1672 PolarHBondContact O-N 3.14Å
1669	T	80.6	Confident	82.8	Confident	78.6 Å²	78.6	98.5 Å²	98.5	48%	0.482	51%	0.512	S	S	.	.	H	α-helix	trans	-75.1	-38.6	172.2	-43.6	0	0	0	0	111.4	K1665 S1666 Q1667 K1672 L1673	K1665-T1669 WeakPolarHBondContact O-CB 3.44Å; K1665-T1669 WeakPolarHBondContact O-CG2 2.86Å; K1665-T1669 PolarHBondContact O-N 3.41Å; K1665-T1669 VanDerWaalsContact O-N 3.15Å; K1665-T1669 PolarHBondContact O-OG1 3.02Å; K1665-T1669 VanDerWaalsContact O-OG1 3.09Å; S1666-T1669 VanDerWaalsContact CA-OG1 3.32Å; S1666-T1669 WeakPolarHBondContact CA-OG1 3.16Å; S1666-T1669 WeakPolarHBondContact O-CB 3.4Å; S1666-T1669 PolarHBondContact O-N 3.19Å; S1666-T1669 VanDerWaalsContact O-N 3.12Å; S1666-T1669 PolarHBondContact O-OG1 3.37Å; Q1667-T1669 VanDerWaalsContact C-N 3.28Å; Q1667-T1669 PolarHBondContact O-N 3.24Å; T1669-K1672 PolarHBondContact O-N 3.19Å; T1669-L1673 HydrophobicContact CG2-CD1 4Å; T1669-L1673 HydrophobicContact CG2-CG 4.4Å; T1669-L1673 VanDerWaalsContact O-CB 3.27Å; T1669-L1673 WeakPolarHBondContact O-CB 3.37Å; T1669-L1673 VanDerWaalsContact O-CG 3.26Å; T1669-L1673 WeakPolarHBondContact O-CG 3.41Å; T1669-L1673 PolarHBondContact O-N 3.34Å
1670	L	85.6	Confident	82.7	Confident	108.8 Å²	108.8	96.9 Å²	96.9	57%	0.57	51%	0.506	S	S	*	.	H	α-helix	trans	-66.4	-40.5	177.7	-176.3	63.3	0	0	0	112.1	S1666 Q1667 L1673 S1674	S1666-L1670 VanDerWaalsContact O-CB 3.32Å; S1666-L1670 WeakPolarHBondContact O-CB 3.39Å; S1666-L1670 PolarHBondContact O-N 3.08Å; Q1667-L1670 WeakPolarHBondContact O-CA 3.49Å; Q1667-L1670 WeakPolarHBondContact O-CB 3.29Å; Q1667-L1670 PolarHBondContact O-N 3.18Å; Q1667-L1670 VanDerWaalsContact O-N 3.1Å; L1670-L1673 CarbonylContact O-C 3.59Å; L1670-L1673 PolarHBondContact O-N 3.06Å; L1670-S1674 WeakPolarHBondContact O-CB 3.42Å; L1670-S1674 PolarHBondContact O-N 3.1Å; L1670-S1674 PolarHBondContact O-OG 3.17Å
1671	E	85.8	Confident	82.5	Confident	118.8 Å²	118.8	94.3 Å²	94.3	56%	0.555	50%	0.501	S	S	*	.	H	α-helix	trans	-62.1	-45.8	173.3	-72.6	165.5	-172.6	0	0	111.4	Q1667 L1673 S1674 L1675	Q1667-E1671 WeakPolarHBondContact O-CG 3.45Å; Q1667-E1671 PolarHBondContact O-N 3.04Å; E1671-L1673 VanDerWaalsContact C-N 3.32Å; E1671-L1673 PolarHBondContact O-N 3.21Å; E1671-S1674 PolarHBondContact O-N 3.09Å; E1671-S1674 PolarHBondContact O-OG 3.12Å; E1671-L1675 WeakPolarHBondContact O-CB 3.36Å; E1671-L1675 VanDerWaalsContact O-CG 3.28Å; E1671-L1675 WeakPolarHBondContact O-CG 3.41Å; E1671-L1675 PolarHBondContact O-N 3.06Å; E1671-L1675 VanDerWaalsContact O-N 3.12Å
1672	K	87.6	Confident	82.2	Confident	140.6 Å²	140.6	97.4 Å²	97.4	61%	0.611	51%	0.508	S	S	*	.	H	α-helix	trans	-62.9	-39.8	174.8	-71.9	174.6	-176.8	-173.1	0	112	S1668 T1669 S1674 L1675 T1676	S1668-K1672 WeakPolarHBondContact O-CB 3.42Å; S1668-K1672 VanDerWaalsContact O-CD 3.23Å; S1668-K1672 WeakPolarHBondContact O-CD 3.34Å; S1668-K1672 VanDerWaalsContact O-CG 3.26Å; S1668-K1672 WeakPolarHBondContact O-CG 3.43Å; S1668-K1672 PolarHBondContact O-N 3.14Å; T1669-K1672 PolarHBondContact O-N 3.19Å; K1672-S1674 VanDerWaalsContact C-N 3.34Å; K1672-S1674 PolarHBondContact O-N 2.98Å; K1672-L1675 PolarHBondContact O-N 3.02Å; K1672-T1676 WeakPolarHBondContact O-CB 3.35Å; K1672-T1676 VanDerWaalsContact O-CG2 3.28Å; K1672-T1676 WeakPolarHBondContact O-CG2 3.36Å; K1672-T1676 PolarHBondContact O-N 3.21Å; K1672-T1676 PolarHBondContact O-OG1 3.21Å; K1672-T1676 VanDerWaalsContact O-OG1 3.06Å
1673	L	83.2	Confident	82.3	Confident	93.2 Å²	93.2	93.1 Å²	93.1	49%	0.488	50%	0.499	S	S	.	.	H	α-helix	trans	-67.5	-37.6	175.9	-110.5	155.3	0	0	0	112.3	T1669 L1670 E1671 L1675 T1676 S1677	T1669-L1673 HydrophobicContact CG2-CD1 4Å; T1669-L1673 HydrophobicContact CG2-CG 4.4Å; T1669-L1673 VanDerWaalsContact O-CB 3.27Å; T1669-L1673 WeakPolarHBondContact O-CB 3.37Å; T1669-L1673 VanDerWaalsContact O-CG 3.26Å; T1669-L1673 WeakPolarHBondContact O-CG 3.41Å; T1669-L1673 PolarHBondContact O-N 3.34Å; L1670-L1673 CarbonylContact O-C 3.59Å; L1670-L1673 PolarHBondContact O-N 3.06Å; E1671-L1673 VanDerWaalsContact C-N 3.32Å; E1671-L1673 PolarHBondContact O-N 3.21Å; L1673-L1675 PolarHBondContact O-N 3.04Å; L1673-T1676 WeakPolarHBondContact CA-OG1 3.4Å; L1673-T1676 PolarHBondContact O-N 2.73Å; L1673-T1676 PolarHBondContact O-OG1 2.9Å; L1673-S1677 VanDerWaalsContact O-CB 3.24Å; L1673-S1677 WeakPolarHBondContact O-CB 3.39Å; L1673-S1677 PolarHBondContact O-N 2.99Å
1674	S	82.8	Confident	82	Confident	68 Å²	68	90.1 Å²	90.1	48%	0.476	49%	0.488	S	S	.	.	H	α-helix	trans	-69.2	-40.3	176.6	72.8	0	0	0	0	111.9	L1670 E1671 K1672 S1677 S1678	L1670-S1674 WeakPolarHBondContact O-CB 3.42Å; L1670-S1674 PolarHBondContact O-N 3.1Å; L1670-S1674 PolarHBondContact O-OG 3.17Å; E1671-S1674 PolarHBondContact O-N 3.09Å; E1671-S1674 PolarHBondContact O-OG 3.12Å; K1672-S1674 VanDerWaalsContact C-N 3.34Å; K1672-S1674 PolarHBondContact O-N 2.98Å; S1674-S1677 PolarHBondContact O-N 3.04Å; S1674-S1678 VanDerWaalsContact O-CB 3.24Å; S1674-S1678 WeakPolarHBondContact O-CB 3.37Å; S1674-S1678 PolarHBondContact O-N 3.16Å
1675	L	83.3	Confident	81.8	Confident	124.2 Å²	124.2	88.5 Å²	88.5	65%	0.65	48%	0.484	S	S	*	.	H	α-helix	trans	-64.7	-47.4	174.6	-84.2	157	0	0	0	111.7	E1671 K1672 L1673 S1677 S1678 A1679	E1671-L1675 WeakPolarHBondContact O-CB 3.36Å; E1671-L1675 VanDerWaalsContact O-CG 3.28Å; E1671-L1675 WeakPolarHBondContact O-CG 3.41Å; E1671-L1675 PolarHBondContact O-N 3.06Å; E1671-L1675 VanDerWaalsContact O-N 3.12Å; K1672-L1675 PolarHBondContact O-N 3.02Å; L1673-L1675 PolarHBondContact O-N 3.04Å; L1675-S1677 PolarHBondContact O-N 2.84Å; L1675-S1678 WeakPolarHBondContact O-CB 3.27Å; L1675-S1678 PolarHBondContact O-N 3.09Å; L1675-A1679 WeakPolarHBondContact O-CB 3.32Å; L1675-A1679 PolarHBondContact O-N 3.14Å
1676	T	81.2	Confident	81	Confident	80.2 Å²	80.2	86.4 Å²	86.4	49%	0.492	49%	0.486	S	S	.	.	H	α-helix	trans	-67.8	-36.7	177.3	53.9	0	0	0	0	112.5	K1672 L1673 S1678 A1679 L1680	K1672-T1676 WeakPolarHBondContact O-CB 3.35Å; K1672-T1676 VanDerWaalsContact O-CG2 3.28Å; K1672-T1676 WeakPolarHBondContact O-CG2 3.36Å; K1672-T1676 PolarHBondContact O-N 3.21Å; K1672-T1676 PolarHBondContact O-OG1 3.21Å; K1672-T1676 VanDerWaalsContact O-OG1 3.06Å; L1673-T1676 WeakPolarHBondContact CA-OG1 3.4Å; L1673-T1676 PolarHBondContact O-N 2.73Å; L1673-T1676 PolarHBondContact O-OG1 2.9Å; T1676-S1678 VanDerWaalsContact C-N 3.35Å; T1676-S1678 PolarHBondContact O-N 3.26Å; T1676-A1679 PolarHBondContact O-N 3.22Å; T1676-L1680 VanDerWaalsContact O-CB 3.28Å; T1676-L1680 WeakPolarHBondContact O-CB 3.35Å; T1676-L1680 VanDerWaalsContact O-CG 3.27Å; T1676-L1680 WeakPolarHBondContact O-CG 3.47Å; T1676-L1680 PolarHBondContact O-N 3.09Å
1677	S	80.7	Confident	80.7	Confident	65.8 Å²	65.8	87.5 Å²	87.5	46%	0.46	49%	0.485	S	S	.	.	H	α-helix	trans	-62.1	-44.3	172.9	-179.8	0	0	0	0	111.5	L1673 S1674 L1675 A1679 L1680 A1681	L1673-S1677 VanDerWaalsContact O-CB 3.24Å; L1673-S1677 WeakPolarHBondContact O-CB 3.39Å; L1673-S1677 PolarHBondContact O-N 2.99Å; S1674-S1677 PolarHBondContact O-N 3.04Å; L1675-S1677 PolarHBondContact O-N 2.84Å; S1677-A1679 VanDerWaalsContact C-N 3.34Å; S1677-A1679 PolarHBondContact O-N 3.39Å; S1677-L1680 PolarHBondContact O-N 3Å; S1677-A1681 VanDerWaalsContact O-CB 3.3Å; S1677-A1681 WeakPolarHBondContact O-CB 3.31Å; S1677-A1681 PolarHBondContact O-N 3.21Å
1678	S	76.4	Confident	80.2	Confident	49.6 Å²	49.6	83.9 Å²	83.9	35%	0.347	47%	0.468	S	S	.	.	H	α-helix	trans	-63.9	-38.4	175.7	-169	0	0	0	0	112.4	S1674 L1675 T1676 R1682	S1674-S1678 VanDerWaalsContact O-CB 3.24Å; S1674-S1678 WeakPolarHBondContact O-CB 3.37Å; S1674-S1678 PolarHBondContact O-N 3.16Å; L1675-S1678 WeakPolarHBondContact O-CB 3.27Å; L1675-S1678 PolarHBondContact O-N 3.09Å; T1676-S1678 VanDerWaalsContact C-N 3.35Å; T1676-S1678 PolarHBondContact O-N 3.26Å; S1678-R1682 VanDerWaalsContact C-NH1 3.26Å; S1678-R1682 WeakPolarHBondContact O-CG 3.37Å; S1678-R1682 PolarHBondContact O-N 2.94Å; S1678-R1682 VanDerWaalsContact O-N 3.11Å; S1678-R1682 PolarHBondContact O-NH1 3.27Å; S1678-R1682 VanDerWaalsContact O-NH1 3.12Å; S1678-R1682 PolarHBondContact OG-NH1 3.24Å
1679	A	78.7	Confident	79.7	Confident	54.6 Å²	54.6	82.7 Å²	82.7	45%	0.451	46%	0.46	S	S	.	.	H	α-helix	trans	-67.1	-46	174.3	0	0	0	0	0	111.9	L1675 T1676 S1677 A1681 R1682 L1683	L1675-A1679 WeakPolarHBondContact O-CB 3.32Å; L1675-A1679 PolarHBondContact O-N 3.14Å; T1676-A1679 PolarHBondContact O-N 3.22Å; S1677-A1679 VanDerWaalsContact C-N 3.34Å; S1677-A1679 PolarHBondContact O-N 3.39Å; A1679-A1681 VanDerWaalsContact C-N 3.33Å; A1679-A1681 PolarHBondContact O-N 3.32Å; A1679-R1682 PolarHBondContact O-N 3.27Å; A1679-L1683 WeakPolarHBondContact O-CB 3.36Å; A1679-L1683 PolarHBondContact O-N 2.99Å
1680	L	79.7	Confident	79.4	Confident	94.8 Å²	94.8	88.1 Å²	88.1	50%	0.496	47%	0.471	S	S	.	.	H	α-helix	trans	-62.2	-40.2	176.7	-136.7	147.7	0	0	0	111.7	L1035 T1676 S1677 R1682 L1683 L1684 I2445	L1035-L1680 HydrophobicContact CD1-CD2 4.1Å; T1676-L1680 VanDerWaalsContact O-CB 3.28Å; T1676-L1680 WeakPolarHBondContact O-CB 3.35Å; T1676-L1680 VanDerWaalsContact O-CG 3.27Å; T1676-L1680 WeakPolarHBondContact O-CG 3.47Å; T1676-L1680 PolarHBondContact O-N 3.09Å; S1677-L1680 PolarHBondContact O-N 3Å; L1680-R1682 PolarHBondContact O-N 3.09Å; L1680-L1683 WeakPolarHBondContact O-CB 3.19Å; L1680-L1683 PolarHBondContact O-N 3.09Å; L1680-L1683 VanDerWaalsContact O-N 3.17Å; L1680-L1684 VanDerWaalsContact O-CB 3.31Å; L1680-L1684 WeakPolarHBondContact O-CB 3.38Å; L1680-L1684 PolarHBondContact O-N 3.08Å; L1680-I2445 HydrophobicContact CD1-CD1 4.35Å; L1680-I2445 HydrophobicContact CD1-CG1 4.02Å; L1680-I2445 HydrophobicContact CD1-CG2 4.44Å
1681	A	77.5	Confident	78.8	Confident	44.2 Å²	44.2	85.1 Å²	85.1	37%	0.365	45%	0.454	S	S	.	.	H	α-helix	trans	-63.3	-43.5	175.5	0	0	0	0	0	112.2	S1677 A1679 L1683 L1684 V1685	S1677-A1681 VanDerWaalsContact O-CB 3.3Å; S1677-A1681 WeakPolarHBondContact O-CB 3.31Å; S1677-A1681 PolarHBondContact O-N 3.21Å; A1679-A1681 VanDerWaalsContact C-N 3.33Å; A1679-A1681 PolarHBondContact O-N 3.32Å; A1681-L1683 VanDerWaalsContact C-N 3.3Å; A1681-L1683 PolarHBondContact O-N 3.13Å; A1681-L1684 PolarHBondContact O-N 3.05Å; A1681-V1685 VanDerWaalsContact O-CG2 3.3Å; A1681-V1685 WeakPolarHBondContact O-CG2 3.41Å; A1681-V1685 PolarHBondContact O-N 3.14Å; A1681-V1685 VanDerWaalsContact O-N 3.08Å
1682	R	77.6	Confident	78.3	Confident	175.8 Å²	175.8	79.5 Å²	79.5	66%	0.663	43%	0.427	S	S	*	.	H	α-helix	trans	-61.4	-43.4	173.6	-72.4	-179.8	-172.2	103.5	-2.6	111.7	S1678 A1679 L1680 V1685 S1686	S1678-R1682 VanDerWaalsContact C-NH1 3.26Å; S1678-R1682 WeakPolarHBondContact O-CG 3.37Å; S1678-R1682 PolarHBondContact O-N 2.94Å; S1678-R1682 VanDerWaalsContact O-N 3.11Å; S1678-R1682 PolarHBondContact O-NH1 3.27Å; S1678-R1682 VanDerWaalsContact O-NH1 3.12Å; S1678-R1682 PolarHBondContact OG-NH1 3.24Å; A1679-R1682 PolarHBondContact O-N 3.27Å; L1680-R1682 PolarHBondContact O-N 3.09Å; R1682-V1685 PolarHBondContact O-N 3.16Å; R1682-S1686 PolarHBondContact O-N 2.99Å
1683	L	80.3	Confident	77.7	Confident	92 Å²	92	73.8 Å²	73.8	48%	0.482	40%	0.403	S	S	.	.	H	α-helix	trans	-63.2	-45.9	177.6	-174.2	156.3	0	0	0	111.2	A1679 L1680 A1681 V1685 S1686 I1687	A1679-L1683 WeakPolarHBondContact O-CB 3.36Å; A1679-L1683 PolarHBondContact O-N 2.99Å; L1680-L1683 WeakPolarHBondContact O-CB 3.19Å; L1680-L1683 PolarHBondContact O-N 3.09Å; L1680-L1683 VanDerWaalsContact O-N 3.17Å; A1681-L1683 VanDerWaalsContact C-N 3.3Å; A1681-L1683 PolarHBondContact O-N 3.13Å; L1683-V1685 VanDerWaalsContact C-N 3.34Å; L1683-V1685 PolarHBondContact O-N 3.17Å; L1683-S1686 WeakPolarHBondContact O-CA 3.26Å; L1683-S1686 WeakPolarHBondContact O-CB 3.34Å; L1683-S1686 PolarHBondContact O-N 3.13Å; L1683-S1686 PolarHBondContact O-OG 3.25Å; L1683-I1687 HydrophobicContact CD2-CD1 3.54Å; L1683-I1687 HydrophobicContact CD2-CG1 4.35Å; L1683-I1687 HydrophobicContact CG-CD1 4.31Å; L1683-I1687 PolarHBondContact O-N 3.06Å; L1683-I1687 VanDerWaalsContact O-N 3.16Å
1684	L	78	Confident	77.1	Confident	60 Å²	60	72.3 Å²	72.3	31%	0.314	41%	0.405	S	S	.	.	H	α-helix	trans	-60.5	-43.7	178.7	-172.2	67.5	0	0	0	111.6	L1680 A1681 S1686 I1687 V1688 I1693	L1680-L1684 VanDerWaalsContact O-CB 3.31Å; L1680-L1684 WeakPolarHBondContact O-CB 3.38Å; L1680-L1684 PolarHBondContact O-N 3.08Å; A1681-L1684 PolarHBondContact O-N 3.05Å; L1684-S1686 PolarHBondContact O-N 3.21Å; L1684-I1687 PolarHBondContact O-N 2.99Å; L1684-I1687 VanDerWaalsContact O-N 3.12Å; L1684-V1688 HydrophobicContact CD1-CB 4.25Å; L1684-V1688 HydrophobicContact CD1-CG2 3.85Å; L1684-V1688 HydrophobicContact CG-CG2 4.48Å; L1684-V1688 WeakPolarHBondContact O-CB 3.39Å; L1684-V1688 PolarHBondContact O-N 3.08Å; L1684-I1693 HydrophobicContact CB-CD1 4.43Å; L1684-I1693 HydrophobicContact CD2-CB 4.45Å; L1684-I1693 HydrophobicContact CD2-CD1 4.37Å; L1684-I1693 HydrophobicContact CD2-CG1 4.24Å; L1684-I1693 HydrophobicContact CD2-CG2 3.93Å; L1684-I1693 HydrophobicContact CG-CD1 3.94Å; L1684-I1693 HydrophobicContact CG-CG1 4.09Å; L1684-I1693 HydrophobicContact CG-CG2 4.41Å; L1684-I1693 WeakPolarHBondContact O-CD1 3.45Å
1685	V	76.8	Confident	76.5	Confident	68.8 Å²	68.8	71.8 Å²	71.8	42%	0.417	39%	0.394	S	S	.	.	H	α-helix	trans	-63.5	-22.6	175.2	173	0	0	0	0	112.9	A1681 R1682 L1683 R1690 I1693	A1681-V1685 VanDerWaalsContact O-CG2 3.3Å; A1681-V1685 WeakPolarHBondContact O-CG2 3.41Å; A1681-V1685 PolarHBondContact O-N 3.14Å; A1681-V1685 VanDerWaalsContact O-N 3.08Å; R1682-V1685 PolarHBondContact O-N 3.16Å; L1683-V1685 VanDerWaalsContact C-N 3.34Å; L1683-V1685 PolarHBondContact O-N 3.17Å; V1685-R1690 HydrophobicContact CG1-CG 4.48Å; V1685-I1693 VanDerWaalsContact CA-CD1 3.49Å; V1685-I1693 HydrophobicContact CB-CD1 4.23Å; V1685-I1693 HydrophobicContact CG2-CD1 3.7Å
1686	S	73.2	Confident	76	Confident	90.4 Å²	90.4	69.2 Å²	69.2	63%	0.632	38%	0.38	S	S	*	.	H	α-helix	trans	-83.3	-23.9	175.1	151.8	0	0	0	0	114	R1682 L1683 L1684	R1682-S1686 PolarHBondContact O-N 2.99Å; L1683-S1686 WeakPolarHBondContact O-CA 3.26Å; L1683-S1686 WeakPolarHBondContact O-CB 3.34Å; L1683-S1686 PolarHBondContact O-N 3.13Å; L1683-S1686 PolarHBondContact O-OG 3.25Å; L1684-S1686 PolarHBondContact O-N 3.21Å
1687	I	74.6	Confident	75.4	Confident	97.8 Å²	97.8	68.7 Å²	68.7	50%	0.502	38%	0.38	S	S	.	.	H	α-helix	trans	-100.7	-35.8	-176.5	-62.7	179.6	0	0	0	111.5	L1683 L1684	L1683-I1687 HydrophobicContact CD2-CD1 3.54Å; L1683-I1687 HydrophobicContact CD2-CG1 4.35Å; L1683-I1687 HydrophobicContact CG-CD1 4.31Å; L1683-I1687 PolarHBondContact O-N 3.06Å; L1683-I1687 VanDerWaalsContact O-N 3.16Å; L1684-I1687 PolarHBondContact O-N 2.99Å; L1684-I1687 VanDerWaalsContact O-N 3.12Å
1688	V	75.1	Confident	74.6	Confident	7.6 Å²	7.6	67.4 Å²	67.4	5%	0.046	37%	0.37	C	S	.	.	S	Bend	trans	-117.5	134.1	-167.9	179.6	0	0	0	0	110.8	L1684 R1690 V1692 I1693 F1939	L1684-V1688 HydrophobicContact CD1-CB 4.25Å; L1684-V1688 HydrophobicContact CD1-CG2 3.85Å; L1684-V1688 HydrophobicContact CG-CG2 4.48Å; L1684-V1688 WeakPolarHBondContact O-CB 3.39Å; L1684-V1688 PolarHBondContact O-N 3.08Å; V1688-R1690 PolarHBondContact O-N 3.15Å; V1688-V1692 HydrophobicContact CG1-CB 3.68Å; V1688-V1692 HydrophobicContact CG1-CG1 3.79Å; V1688-V1692 HydrophobicContact CG1-CG2 4.47Å; V1688-I1693 HydrophobicContact CB-CD1 4.16Å; V1688-I1693 HydrophobicContact CB-CG1 3.88Å; V1688-I1693 HydrophobicContact CG1-CD1 4.42Å; V1688-I1693 HydrophobicContact CG1-CG1 3.68Å; V1688-I1693 WeakPolarHBondContact O-CD1 3.32Å; V1688-F1939 HydrophobicContact CB-CZ 4.46Å; V1688-F1939 HydrophobicContact CG1-CE1 4.45Å; V1688-F1939 HydrophobicContact CG1-CZ 3.76Å; V1688-F1939 HydrophobicContact CG2-CE1 3.75Å; V1688-F1939 HydrophobicContact CG2-CZ 3.87Å
1689	P	75.8	Confident	73.7	Confident	23.6 Å²	23.6	69.8 Å²	69.8	15%	0.153	39%	0.385	C	S	.	.			trans	-58.7	137.8	174.8	-24.4	34.5	0	0	0	112.7	F1691 V1692 I1693 I1850 F1947	P1689-F1691 VanDerWaalsContact C-N 3.27Å; P1689-F1691 HydrophobicContact CB-CD1 3.73Å; P1689-F1691 HydrophobicContact CB-CE1 3.3Å; P1689-F1691 HydrophobicContact CB-CZ 3.99Å; P1689-F1691 HydrophobicContact CG-CE1 4.16Å; P1689-F1691 HydrophobicContact CG-CZ 4.45Å; P1689-F1691 PolarHBondContact O-N 3.03Å; P1689-F1691 VanDerWaalsContact O-N 3.1Å; P1689-V1692 HydrophobicContact CB-CG2 4.26Å; P1689-V1692 HydrophobicContact CG-CG2 4.4Å; P1689-V1692 WeakPolarHBondContact O-CA 3.41Å; P1689-V1692 VanDerWaalsContact O-CB 3.29Å; P1689-V1692 WeakPolarHBondContact O-CB 3.39Å; P1689-V1692 PolarHBondContact O-N 3.16Å; P1689-I1693 PolarHBondContact O-N 3.27Å; P1689-I1693 VanDerWaalsContact O-N 3.13Å; P1689-I1850 HydrophobicContact CB-CG2 4.32Å; P1689-I1850 HydrophobicContact CG-CG2 3.74Å; P1689-F1947 HydrophobicContact CG-CD1 4.17Å; P1689-F1947 HydrophobicContact CG-CE1 3.9Å; P1689-F1947 HydrophobicContact CG-CZ 4.46Å
1690	R	74.4	Confident	72.7	Confident	191.4 Å²	191.4	75.6 Å²	75.6	72%	0.722	40%	0.403	S	S	*	.	H	α-helix	trans	-53.7	-36.9	-171.9	-65.6	-177	-179.6	-176.4	-1	114.7	V1685 V1688 V1692 I1693 A1694	V1685-R1690 HydrophobicContact CG1-CG 4.48Å; V1688-R1690 PolarHBondContact O-N 3.15Å; R1690-V1692 VanDerWaalsContact C-N 3.27Å; R1690-V1692 PolarHBondContact O-N 3.09Å; R1690-I1693 PolarHBondContact O-N 3.18Å; R1690-A1694 PolarHBondContact O-N 3.12Å; R1690-A1694 VanDerWaalsContact O-N 3.08Å
1691	F	72.8	Confident	71.5	Confident	46.2 Å²	46.2	76.4 Å²	76.4	20%	0.203	40%	0.399	C	S	.	.	H	α-helix	trans	-66.6	-25.5	178.6	69.2	-91.1	0	0	0	113.3	P1689 K1695 Y1706 I1850 L1865 T1867	P1689-F1691 VanDerWaalsContact C-N 3.27Å; P1689-F1691 HydrophobicContact CB-CD1 3.73Å; P1689-F1691 HydrophobicContact CB-CE1 3.3Å; P1689-F1691 HydrophobicContact CB-CZ 3.99Å; P1689-F1691 HydrophobicContact CG-CE1 4.16Å; P1689-F1691 HydrophobicContact CG-CZ 4.45Å; P1689-F1691 PolarHBondContact O-N 3.03Å; P1689-F1691 VanDerWaalsContact O-N 3.1Å; F1691-K1695 WeakPolarHBondContact O-CD 3.43Å; F1691-K1695 WeakPolarHBondContact O-CG 3.43Å; F1691-K1695 PolarHBondContact O-N 3.43Å; F1691-Y1706 WeakPolarHBondContact CE2-OH 3.47Å; F1691-I1850 HydrophobicContact CD1-CD1 4.45Å; F1691-I1850 HydrophobicContact CE1-CD1 3.65Å; F1691-I1850 HydrophobicContact CE1-CG1 4.38Å; F1691-I1850 HydrophobicContact CZ-CD1 4.34Å; F1691-L1865 HydrophobicContact CE2-CD2 4.38Å; F1691-L1865 HydrophobicContact CZ-CB 4.42Å; F1691-L1865 HydrophobicContact CZ-CD2 4.12Å; F1691-T1867 HydrophobicContact CB-CG2 4.24Å; F1691-T1867 HydrophobicContact CG-CG2 4.5Å
1692	V	75	Confident	70.3	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-79.4	-42	174.5	-175.6	0	0	0	0	109.8	V1688 P1689 R1690 A1694 K1695 I1696 Y1706 F1939 F1947	V1688-V1692 HydrophobicContact CG1-CB 3.68Å; V1688-V1692 HydrophobicContact CG1-CG1 3.79Å; V1688-V1692 HydrophobicContact CG1-CG2 4.47Å; P1689-V1692 HydrophobicContact CB-CG2 4.26Å; P1689-V1692 HydrophobicContact CG-CG2 4.4Å; P1689-V1692 WeakPolarHBondContact O-CA 3.41Å; P1689-V1692 VanDerWaalsContact O-CB 3.29Å; P1689-V1692 WeakPolarHBondContact O-CB 3.39Å; P1689-V1692 PolarHBondContact O-N 3.16Å; R1690-V1692 VanDerWaalsContact C-N 3.27Å; R1690-V1692 PolarHBondContact O-N 3.09Å; V1692-A1694 VanDerWaalsContact C-N 3.31Å; V1692-A1694 PolarHBondContact O-N 3.1Å; V1692-K1695 WeakPolarHBondContact O-CB 3.29Å; V1692-K1695 PolarHBondContact O-N 3.06Å; V1692-K1695 VanDerWaalsContact O-N 3.1Å; V1692-I1696 HydrophobicContact CG1-CD1 3.9Å; V1692-I1696 HydrophobicContact CG1-CG1 4.43Å; V1692-I1696 WeakPolarHBondContact O-CG1 3.4Å; V1692-I1696 PolarHBondContact O-N 3.14Å; V1692-I1696 VanDerWaalsContact O-N 3.07Å; V1692-Y1706 HydrophobicContact CB-CE1 4.49Å; V1692-Y1706 HydrophobicContact CB-CE2 4.29Å; V1692-Y1706 HydrophobicContact CG1-CD1 3.88Å; V1692-Y1706 HydrophobicContact CG1-CD2 4.14Å; V1692-Y1706 HydrophobicContact CG1-CE1 4.03Å; V1692-Y1706 HydrophobicContact CG1-CE2 4.25Å; V1692-Y1706 HydrophobicContact CG1-CG 3.96Å; V1692-Y1706 HydrophobicContact CG2-CE1 4.11Å; V1692-Y1706 HydrophobicContact CG2-CE2 4.39Å; V1692-F1939 HydrophobicContact CG1-CE2 3.57Å; V1692-F1939 VanDerWaalsContact CG1-CE2 3.5Å; V1692-F1939 HydrophobicContact CG1-CZ 3.86Å; V1692-F1947 HydrophobicContact CG1-CD2 4.48Å; V1692-F1947 HydrophobicContact CG1-CE2 4.27Å; V1692-F1947 HydrophobicContact CG2-CD2 4.43Å; V1692-F1947 HydrophobicContact CG2-CE2 3.76Å; V1692-F1947 HydrophobicContact CG2-CZ 3.93Å
1693	I	74.8	Confident	69.2	Low	20.6 Å²	20.6	77.1 Å²	77.1	11%	0.106	42%	0.418	C	S	.	.	H	α-helix	trans	-57.9	-45.5	175.5	-59	177.7	0	0	0	110.8	L1684 V1685 V1688 P1689 R1690 K1695 I1696 S1697	L1684-I1693 HydrophobicContact CB-CD1 4.43Å; L1684-I1693 HydrophobicContact CD2-CB 4.45Å; L1684-I1693 HydrophobicContact CD2-CD1 4.37Å; L1684-I1693 HydrophobicContact CD2-CG1 4.24Å; L1684-I1693 HydrophobicContact CD2-CG2 3.93Å; L1684-I1693 HydrophobicContact CG-CD1 3.94Å; L1684-I1693 HydrophobicContact CG-CG1 4.09Å; L1684-I1693 HydrophobicContact CG-CG2 4.41Å; L1684-I1693 WeakPolarHBondContact O-CD1 3.45Å; V1685-I1693 VanDerWaalsContact CA-CD1 3.49Å; V1685-I1693 HydrophobicContact CB-CD1 4.23Å; V1685-I1693 HydrophobicContact CG2-CD1 3.7Å; V1688-I1693 HydrophobicContact CB-CD1 4.16Å; V1688-I1693 HydrophobicContact CB-CG1 3.88Å; V1688-I1693 HydrophobicContact CG1-CD1 4.42Å; V1688-I1693 HydrophobicContact CG1-CG1 3.68Å; V1688-I1693 WeakPolarHBondContact O-CD1 3.32Å; P1689-I1693 PolarHBondContact O-N 3.27Å; P1689-I1693 VanDerWaalsContact O-N 3.13Å; R1690-I1693 PolarHBondContact O-N 3.18Å; I1693-K1695 VanDerWaalsContact C-N 3.32Å; I1693-K1695 PolarHBondContact O-N 3.09Å; I1693-K1695 VanDerWaalsContact O-N 3.08Å; I1693-I1696 PolarHBondContact O-N 3.1Å; I1693-I1696 VanDerWaalsContact O-N 3.14Å; I1693-S1697 VanDerWaalsContact O-CB 3.3Å; I1693-S1697 WeakPolarHBondContact O-CB 3.34Å; I1693-S1697 PolarHBondContact O-N 3.09Å; I1693-S1697 PolarHBondContact O-OG 3.21Å; I1693-S1697 VanDerWaalsContact O-OG 3.1Å
1694	A	71.5	Confident	68.2	Low	63.2 Å²	63.2	79.5 Å²	79.5	52%	0.522	43%	0.427	S	S	.	.	H	α-helix	trans	-57	-34.8	176.6	0	0	0	0	0	112.7	R1690 V1692 C1698	R1690-A1694 PolarHBondContact O-N 3.12Å; R1690-A1694 VanDerWaalsContact O-N 3.08Å; V1692-A1694 VanDerWaalsContact C-N 3.31Å; V1692-A1694 PolarHBondContact O-N 3.1Å; A1694-C1698 PolarHBondContact O-SG 2.7Å
1695	K	70	Confident	67.7	Low	56.4 Å²	56.4	82.3 Å²	82.3	25%	0.245	44%	0.44	C	S	.	.	H	α-helix	trans	-79.9	-32	178.7	-104.8	161.6	173.5	-178.2	0	113.3	F1691 V1692 I1693 C1698 Y1706 E1869	F1691-K1695 WeakPolarHBondContact O-CD 3.43Å; F1691-K1695 WeakPolarHBondContact O-CG 3.43Å; F1691-K1695 PolarHBondContact O-N 3.43Å; V1692-K1695 WeakPolarHBondContact O-CB 3.29Å; V1692-K1695 PolarHBondContact O-N 3.06Å; V1692-K1695 VanDerWaalsContact O-N 3.1Å; I1693-K1695 VanDerWaalsContact C-N 3.32Å; I1693-K1695 PolarHBondContact O-N 3.09Å; I1693-K1695 VanDerWaalsContact O-N 3.08Å; K1695-C1698 WeakPolarHBondContact O-CB 3.38Å; K1695-Y1706 HydrophobicContact CB-CD2 4.33Å; K1695-Y1706 HydrophobicContact CB-CE2 4.27Å; K1695-Y1706 HydrophobicContact CD-CD2 3.94Å; K1695-Y1706 HydrophobicContact CD-CE2 3.92Å; K1695-Y1706 HydrophobicContact CG-CD2 4.25Å; K1695-Y1706 HydrophobicContact CG-CE2 4.17Å; K1695-E1869 VanDerWaalsContact CE-OE2 3.28Å; K1695-E1869 WeakPolarHBondContact CE-OE2 3.32Å; K1695-E1869 IonicContact NZ-OE1 3.03Å; K1695-E1869 PolarHBondContact NZ-OE1 3.05Å; K1695-E1869 IonicContact NZ-OE2 2.67Å; K1695-E1869 PolarHBondContact NZ-OE2 3.04Å
1696	I	72.4	Confident	67.5	Low	69.6 Å²	69.6	80.2 Å²	80.2	36%	0.357	43%	0.425	S	S	.	.	H	α-helix	trans	-74.4	-34.7	174.4	-64.6	169.2	0	0	0	111.5	V1692 I1693 C1698 F1939	V1692-I1696 HydrophobicContact CG1-CD1 3.9Å; V1692-I1696 HydrophobicContact CG1-CG1 4.43Å; V1692-I1696 WeakPolarHBondContact O-CG1 3.4Å; V1692-I1696 PolarHBondContact O-N 3.14Å; V1692-I1696 VanDerWaalsContact O-N 3.07Å; I1693-I1696 PolarHBondContact O-N 3.1Å; I1693-I1696 VanDerWaalsContact O-N 3.14Å; I1696-C1698 PolarHBondContact O-N 3Å; I1696-F1939 HydrophobicContact CD1-CE2 3.72Å; I1696-F1939 HydrophobicContact CD1-CZ 3.91Å
1697	S	69.1	Low	67.8	Low	70 Å²	70	79.2 Å²	79.2	49%	0.49	42%	0.418	S	S	.	.	S	Bend	trans	-72.5	-10.1	-177.5	-57.9	0	0	0	0	114	I1693 P1699	I1693-S1697 VanDerWaalsContact O-CB 3.3Å; I1693-S1697 WeakPolarHBondContact O-CB 3.34Å; I1693-S1697 PolarHBondContact O-N 3.09Å; I1693-S1697 PolarHBondContact O-OG 3.21Å; I1693-S1697 VanDerWaalsContact O-OG 3.1Å; S1697-P1699 WeakPolarHBondContact O-CD 3.11Å
1698	C	63.8	Low	68.1	Low	38.2 Å²	38.2	77.9 Å²	77.9	26%	0.258	41%	0.409	S	S	.	.			trans	-71.4	119.1	174.2	-103.4	0	0	0	0	110	A1694 K1695 I1696 E1700 R1701 A1702	A1694-C1698 PolarHBondContact O-SG 2.7Å; K1695-C1698 WeakPolarHBondContact O-CB 3.38Å; I1696-C1698 PolarHBondContact O-N 3Å; C1698-E1700 VanDerWaalsContact C-N 3.25Å; C1698-E1700 PolarHBondContact O-N 3.13Å; C1698-E1700 VanDerWaalsContact O-N 3.11Å; C1698-R1701 HydrophobicContact CB-CB 4.47Å; C1698-R1701 PolarHBondContact O-N 3.16Å; C1698-R1701 PolarHBondContact SG-NH2 3.16Å; C1698-A1702 PolarHBondContact O-N 2.8Å
1699	P	56.6	Low	68.4	Low	101.6 Å²	101.6	81.2 Å²	81.2	66%	0.66	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.8	-172.8	25.3	-33.8	0	0	0	113.4	L952 S1697 R1701 A1702	L952-P1699 HydrophobicContact CD2-CB 4.27Å; S1697-P1699 WeakPolarHBondContact O-CD 3.11Å; P1699-R1701 VanDerWaalsContact C-N 3.3Å; P1699-R1701 PolarHBondContact O-N 3.06Å; P1699-A1702 PolarHBondContact O-N 3.07Å
1700	E	58.4	Low	68.6	Low	175.4 Å²	175.4	81.4 Å²	81.4	82%	0.82	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-18.4	178.4	-101.5	177.1	177.7	0	0	114	C1698	C1698-E1700 VanDerWaalsContact C-N 3.25Å; C1698-E1700 PolarHBondContact O-N 3.13Å; C1698-E1700 VanDerWaalsContact O-N 3.11Å
1701	R	53.9	Low	68.8	Low	111.2 Å²	111.2	78.8 Å²	78.8	42%	0.42	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	18.8	-176.3	-74.7	-178.2	-109.4	177.5	-5.1	114.3	C1698 P1699 I1703 E1704	C1698-R1701 HydrophobicContact CB-CB 4.47Å; C1698-R1701 PolarHBondContact O-N 3.16Å; C1698-R1701 PolarHBondContact SG-NH2 3.16Å; P1699-R1701 VanDerWaalsContact C-N 3.3Å; P1699-R1701 PolarHBondContact O-N 3.06Å; R1701-I1703 VanDerWaalsContact C-N 3.3Å; R1701-I1703 PolarHBondContact O-N 3.05Å; R1701-E1704 PolarHBondContact O-N 3.04Å; R1701-E1704 VanDerWaalsContact O-N 3.12Å
1702	A	53.3	Low	69	Low	70.2 Å²	70.2	80.5 Å²	80.5	58%	0.58	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	6.4	179.8	0	0	0	0	0	114.2	C1698 P1699 E1704	C1698-A1702 PolarHBondContact O-N 2.8Å; P1699-A1702 PolarHBondContact O-N 3.07Å; A1702-E1704 VanDerWaalsContact C-N 3.25Å; A1702-E1704 PolarHBondContact O-N 3.49Å
1703	I	52.7	Low	69.4	Low	165 Å²	165	80.5 Å²	80.5	85%	0.846	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-9.6	176.6	-56.2	173.5	0	0	0	112	R1701	R1701-I1703 VanDerWaalsContact C-N 3.3Å; R1701-I1703 PolarHBondContact O-N 3.05Å
1704	E	61.1	Low	69.8	Low	143.2 Å²	143.2	79.5 Å²	79.5	67%	0.669	43%	0.433	S	S	*	.	S	Bend	trans	-89	131.5	-178.8	-66.6	-174.4	162.6	0	0	111	R1701 A1702 Y1706	R1701-E1704 PolarHBondContact O-N 3.04Å; R1701-E1704 VanDerWaalsContact O-N 3.12Å; A1702-E1704 VanDerWaalsContact C-N 3.25Å; A1702-E1704 PolarHBondContact O-N 3.49Å; E1704-Y1706 PolarHBondContact O-N 3.06Å; E1704-Y1706 VanDerWaalsContact O-N 3.12Å
1705	I	66.4	Low	70.7	Confident	117.6 Å²	117.6	76.5 Å²	76.5	60%	0.603	41%	0.408	S	S	*	.			trans	-64.2	115.5	173.4	-58.3	172.8	0	0	0	107.7	S1707	I1705-S1707 PolarHBondContact O-N 3.2Å; I1705-S1707 VanDerWaalsContact O-N 3.09Å; I1705-S1707 PolarHBondContact O-OG 3.34Å; I1705-S1707 VanDerWaalsContact O-OG 3.11Å
1706	Y	72.8	Confident	71.6	Confident	25.8 Å²	25.8	73.8 Å²	73.8	10%	0.101	40%	0.397	C	S	.	.			trans	-57.5	113.9	179.4	177.6	-84.7	0	0	0	109.8	F1691 V1692 K1695 E1704 K1708 G1938 F1939 F1947	F1691-Y1706 WeakPolarHBondContact CE2-OH 3.47Å; V1692-Y1706 HydrophobicContact CB-CE1 4.49Å; V1692-Y1706 HydrophobicContact CB-CE2 4.29Å; V1692-Y1706 HydrophobicContact CG1-CD1 3.88Å; V1692-Y1706 HydrophobicContact CG1-CD2 4.14Å; V1692-Y1706 HydrophobicContact CG1-CE1 4.03Å; V1692-Y1706 HydrophobicContact CG1-CE2 4.25Å; V1692-Y1706 HydrophobicContact CG1-CG 3.96Å; V1692-Y1706 HydrophobicContact CG2-CE1 4.11Å; V1692-Y1706 HydrophobicContact CG2-CE2 4.39Å; K1695-Y1706 HydrophobicContact CB-CD2 4.33Å; K1695-Y1706 HydrophobicContact CB-CE2 4.27Å; K1695-Y1706 HydrophobicContact CD-CD2 3.94Å; K1695-Y1706 HydrophobicContact CD-CE2 3.92Å; K1695-Y1706 HydrophobicContact CG-CD2 4.25Å; K1695-Y1706 HydrophobicContact CG-CE2 4.17Å; E1704-Y1706 PolarHBondContact O-N 3.06Å; E1704-Y1706 VanDerWaalsContact O-N 3.12Å; Y1706-K1708 HydrophobicContact CE1-CB 4.3Å; Y1706-K1708 HydrophobicContact CE2-CB 4.39Å; Y1706-K1708 HydrophobicContact CE2-CG 4.1Å; Y1706-G1938 WeakPolarHBondContact O-CA 3.34Å; Y1706-F1939 HydrophobicContact CD1-CD2 4.46Å; Y1706-F1939 HydrophobicContact CD1-CE2 4.3Å; Y1706-F1939 HydrophobicContact CG-CE2 4.43Å; Y1706-F1939 PolarHBondContact O-N 3.18Å; Y1706-F1947 HydrophobicContact CD1-CE2 4.32Å; Y1706-F1947 AromaticContact CE1-CE2 3.99Å; Y1706-F1947 HydrophobicContact CE1-CE2 4.08Å
1707	S	79.6	Confident	72.4	Confident	69.2 Å²	69.2	70.6 Å²	70.6	48%	0.484	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	117.2	171.3	54.6	0	0	0	0	108.7	I1705 F1937	I1705-S1707 PolarHBondContact O-N 3.2Å; I1705-S1707 VanDerWaalsContact O-N 3.09Å; I1705-S1707 PolarHBondContact O-OG 3.34Å; I1705-S1707 VanDerWaalsContact O-OG 3.11Å; S1707-F1937 CarbonylContact C-O 3.57Å; S1707-F1937 VanDerWaalsContact CA-O 3.27Å; S1707-F1937 WeakPolarHBondContact CA-O 3.29Å
1708	K	81	Confident	73.3	Confident	70.6 Å²	70.6	67.4 Å²	67.4	31%	0.307	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.2	174.6	-155.5	177.5	176.1	-177.4	0	110.1	Y1706 H1710 E1869 F1937	Y1706-K1708 HydrophobicContact CE1-CB 4.3Å; Y1706-K1708 HydrophobicContact CE2-CB 4.39Å; Y1706-K1708 HydrophobicContact CE2-CG 4.1Å; K1708-H1710 WeakPolarHBondContact CD-NE2 3.28Å; K1708-E1869 IonicContact NZ-OE1 3.07Å; K1708-E1869 PolarHBondContact NZ-OE1 3.27Å; K1708-F1937 PolarHBondContact N-O 3.37Å; K1708-F1937 PolarHBondContact O-N 3.25Å
1709	S	81.3	Confident	74.5	Confident	75.4 Å²	75.4	67.2 Å²	67.2	53%	0.527	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	140.3	166.7	63.8	0	0	0	0	110.2	C1935	S1709-C1935 WeakPolarHBondContact CA-O 3.3Å
1710	H	80	Confident	75.9	Confident	27.8 Å²	27.8	62.7 Å²	62.7	13%	0.129	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.1	174.5	-76.6	-109.7	0	0	0	108.8	K1708 I1713 S1934 C1935 F1937	K1708-H1710 WeakPolarHBondContact CD-NE2 3.28Å; H1710-I1713 HydrophobicContact CB-CD1 3.3Å; H1710-I1713 HydrophobicContact CB-CG1 4.05Å; H1710-I1713 WeakPolarHBondContact O-CD1 3.35Å; H1710-S1934 WeakPolarHBondContact O-CA 3.45Å; H1710-C1935 PolarHBondContact N-O 3.43Å; H1710-C1935 PolarHBondContact O-N 3.14Å; H1710-C1935 VanDerWaalsContact O-O 3.12Å; H1710-F1937 HydrophobicContact CB-CD2 4.4Å; H1710-F1937 HydrophobicContact CB-CE2 4.29Å; H1710-F1937 AromaticContact CD2-CD2 3.88Å
1711	Q	78.4	Confident	77	Confident	137.4 Å²	137.4	57 Å²	57	64%	0.642	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	154.5	179.3	-62.4	-177.2	-8.5	0	0	111	I1713	Q1711-I1713 PolarHBondContact O-N 3.12Å
1712	N	77.4	Confident	78.1	Confident	82 Å²	82	52.7 Å²	52.7	44%	0.439	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.4	56	176	-73.3	-9.8	0	0	0	113.9	W1889 G1933	N1712-W1889 WeakPolarHBondContact O-CH2 3.34Å; N1712-G1933 PolarHBondContact N-O 3.09Å
1713	I	83.5	Confident	79	Confident	0.2 Å²	0.2	52.1 Å²	52.1	0%	0.001	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.5	173.3	-78.4	165.7	0	0	0	110.1	H1710 Q1711 A1862 T1863 L1865 S1932 G1933 C1935 F1937 L1949	H1710-I1713 HydrophobicContact CB-CD1 3.3Å; H1710-I1713 HydrophobicContact CB-CG1 4.05Å; H1710-I1713 WeakPolarHBondContact O-CD1 3.35Å; Q1711-I1713 PolarHBondContact O-N 3.12Å; I1713-A1862 HydrophobicContact CG2-CB 4.15Å; I1713-T1863 WeakPolarHBondContact CG1-O 3.31Å; I1713-T1863 WeakPolarHBondContact CG2-O 3.38Å; I1713-L1865 HydrophobicContact CD1-CD2 3.84Å; I1713-L1865 HydrophobicContact CD1-CG 3.84Å; I1713-S1932 VanDerWaalsContact O-CA 3.31Å; I1713-S1932 WeakPolarHBondContact O-CA 3.45Å; I1713-G1933 PolarHBondContact N-O 3.17Å; I1713-G1933 PolarHBondContact O-N 3.27Å; I1713-G1933 VanDerWaalsContact O-N 3.12Å; I1713-C1935 WeakPolarHBondContact CD1-SG 3.3Å; I1713-C1935 VanDerWaalsContact CG1-SG 3.54Å; I1713-F1937 HydrophobicContact CD1-CD2 4.29Å; I1713-F1937 HydrophobicContact CD1-CE2 3.69Å; I1713-F1937 VanDerWaalsContact CD1-CE2 3.43Å; I1713-F1937 HydrophobicContact CD1-CZ 4Å; I1713-F1937 HydrophobicContact CG1-CE2 4.02Å; I1713-F1937 HydrophobicContact CG1-CZ 4.39Å; I1713-F1937 HydrophobicContact CG2-CZ 4.31Å; I1713-L1949 HydrophobicContact CG2-CD1 4.46Å
1714	G	84	Confident	79.5	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.8	169.3	0	0	0	0	0	110.7	A1862 T1863 W1889 H1931	G1714-A1862 CarbonylContact O-C 3.57Å; G1714-A1862 VanDerWaalsContact O-CA 3.27Å; G1714-A1862 WeakPolarHBondContact O-CA 3.4Å; G1714-T1863 PolarHBondContact N-O 3.17Å; G1714-T1863 VanDerWaalsContact N-O 3.11Å; G1714-T1863 PolarHBondContact O-N 3.16Å; G1714-W1889 VanDerWaalsContact CA-CZ3 3.41Å; G1714-W1889 VanDerWaalsContact N-CZ3 3.3Å; G1714-H1931 WeakPolarHBondContact CA-O 3.42Å
1715	L	88.9	Confident	79.3	Confident	0.2 Å²	0.2	42 Å²	42	0%	0.001	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.7	177	-177	68.7	0	0	0	109.9	L1717 V1852 A1862 L1930 H1931 L1949 P1953 L1954 C1957	L1715-L1717 HydrophobicContact CD1-CD1 3.88Å; L1715-L1717 HydrophobicContact CD1-CD2 4.3Å; L1715-L1717 HydrophobicContact CD2-CD1 3.62Å; L1715-L1717 HydrophobicContact CD2-CD2 3.98Å; L1715-L1717 HydrophobicContact CD2-CG 4.25Å; L1715-L1717 HydrophobicContact CG-CD1 3.6Å; L1715-L1717 HydrophobicContact CG-CD2 4.12Å; L1715-L1717 HydrophobicContact CG-CG 4.47Å; L1715-V1852 HydrophobicContact CD1-CG1 4.29Å; L1715-V1852 HydrophobicContact CD1-CG2 3.56Å; L1715-A1862 HydrophobicContact CD1-CB 4.35Å; L1715-L1930 WeakPolarHBondContact O-CA 3.28Å; L1715-H1931 PolarHBondContact N-O 3.19Å; L1715-H1931 PolarHBondContact O-N 2.94Å; L1715-H1931 VanDerWaalsContact O-N 3.12Å; L1715-L1949 HydrophobicContact CD1-CD1 4.13Å; L1715-L1949 HydrophobicContact CD1-CD2 3.94Å; L1715-L1949 HydrophobicContact CD2-CD1 4.29Å; L1715-L1949 HydrophobicContact CD2-CD2 4.07Å; L1715-L1949 HydrophobicContact CG-CD2 4.35Å; L1715-P1953 HydrophobicContact CB-CB 4.14Å; L1715-P1953 HydrophobicContact CD2-CB 4.25Å; L1715-L1954 HydrophobicContact CD2-CB 4.11Å; L1715-L1954 HydrophobicContact CD2-CD1 4.12Å; L1715-C1957 HydrophobicContact CD2-CB 4.41Å
1716	V	88.8	Confident	78.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.1	163.7	-168.9	0	0	0	0	108.3	I1718 G1860 Y1861 L1892 F1895 I1896 A1928 A1929 L1930	V1716-I1718 HydrophobicContact CB-CG1 4.49Å; V1716-I1718 HydrophobicContact CG1-CD1 4.15Å; V1716-I1718 HydrophobicContact CG1-CG1 3.61Å; V1716-G1860 CarbonylContact O-C 3.56Å; V1716-G1860 WeakPolarHBondContact O-CA 3.25Å; V1716-Y1861 PolarHBondContact N-O 2.96Å; V1716-Y1861 PolarHBondContact O-N 2.9Å; V1716-L1892 HydrophobicContact CG2-CD1 3.63Å; V1716-L1892 VanDerWaalsContact CG2-CD1 3.48Å; V1716-L1892 HydrophobicContact CG2-CD2 3.81Å; V1716-L1892 HydrophobicContact CG2-CG 3.43Å; V1716-L1892 VanDerWaalsContact CG2-CG 3.43Å; V1716-F1895 HydrophobicContact CG2-CD1 4.47Å; V1716-I1896 HydrophobicContact CB-CD1 4.34Å; V1716-I1896 HydrophobicContact CG1-CD1 3.51Å; V1716-I1896 VanDerWaalsContact CG1-CD1 3.48Å; V1716-I1896 HydrophobicContact CG1-CG1 3.85Å; V1716-I1896 HydrophobicContact CG2-CD1 3.81Å; V1716-I1896 HydrophobicContact CG2-CG1 4.21Å; V1716-A1928 HydrophobicContact CG1-CB 4.45Å; V1716-A1929 CarbonylContact C-O 3.41Å; V1716-A1929 WeakPolarHBondContact CA-O 3.3Å; V1716-L1930 HydrophobicContact CG2-CD2 4.08Å; V1716-L1930 HydrophobicContact CG2-CG 4.09Å
1717	L	89.6	Confident	76.9	Confident	1.8 Å²	1.8	49.5 Å²	49.5	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.6	163.2	-107.8	103.6	0	0	0	108.8	L1715 Y1853 M1858 A1928 A1929 L1954 C1957 R1958 L1961	L1715-L1717 HydrophobicContact CD1-CD1 3.88Å; L1715-L1717 HydrophobicContact CD1-CD2 4.3Å; L1715-L1717 HydrophobicContact CD2-CD1 3.62Å; L1715-L1717 HydrophobicContact CD2-CD2 3.98Å; L1715-L1717 HydrophobicContact CD2-CG 4.25Å; L1715-L1717 HydrophobicContact CG-CD1 3.6Å; L1715-L1717 HydrophobicContact CG-CD2 4.12Å; L1715-L1717 HydrophobicContact CG-CG 4.47Å; L1717-Y1853 HydrophobicContact CD1-CD1 3.74Å; L1717-Y1853 HydrophobicContact CD1-CE1 4.29Å; L1717-Y1853 HydrophobicContact CD2-CD1 4.33Å; L1717-M1858 HydrophobicContact CD1-CB 4.32Å; L1717-M1858 HydrophobicContact CD2-SD 4.28Å; L1717-A1928 CarbonylContact O-C 3.55Å; L1717-A1928 VanDerWaalsContact O-CA 3.32Å; L1717-A1928 WeakPolarHBondContact O-CA 3.4Å; L1717-A1929 PolarHBondContact N-O 3.03Å; L1717-A1929 PolarHBondContact O-N 3.24Å; L1717-L1954 HydrophobicContact CD1-CD1 3.95Å; L1717-L1954 HydrophobicContact CD2-CD1 4.04Å; L1717-L1954 HydrophobicContact CG-CD1 4.4Å; L1717-C1957 HydrophobicContact CB-CB 4.02Å; L1717-C1957 HydrophobicContact CD1-CB 3.69Å; L1717-C1957 VanDerWaalsContact CD1-CB 3.45Å; L1717-C1957 HydrophobicContact CD2-CB 4.11Å; L1717-C1957 HydrophobicContact CG-CB 3.96Å; L1717-R1958 HydrophobicContact CD1-CG 3.72Å; L1717-R1958 HydrophobicContact CD2-CG 3.67Å; L1717-L1961 HydrophobicContact CB-CD1 4.01Å; L1717-L1961 HydrophobicContact CD1-CD1 4.27Å; L1717-L1961 HydrophobicContact CD2-CD1 4.13Å; L1717-L1961 HydrophobicContact CD2-CD2 4.03Å; L1717-L1961 HydrophobicContact CG-CD1 3.69Å; L1717-L1961 HydrophobicContact CG-CD2 4.04Å
1718	I	89.1	Confident	75	Confident	3.6 Å²	3.6	53.8 Å²	53.8	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.9	-177.6	-52.2	-177	0	0	0	108.5	V1716 F1720 V1782 M1858 V1859 Y1861 F1895 V1899 V1926 A1928	V1716-I1718 HydrophobicContact CB-CG1 4.49Å; V1716-I1718 HydrophobicContact CG1-CD1 4.15Å; V1716-I1718 HydrophobicContact CG1-CG1 3.61Å; I1718-F1720 HydrophobicContact CB-CE2 4.44Å; I1718-F1720 HydrophobicContact CB-CZ 4.39Å; I1718-F1720 HydrophobicContact CG2-CD1 4.41Å; I1718-F1720 HydrophobicContact CG2-CD2 4.39Å; I1718-F1720 HydrophobicContact CG2-CE1 3.86Å; I1718-F1720 HydrophobicContact CG2-CE2 3.95Å; I1718-F1720 HydrophobicContact CG2-CZ 3.58Å; I1718-F1720 VanDerWaalsContact CG2-CZ 3.47Å; I1718-V1782 HydrophobicContact CD1-CG1 4.44Å; I1718-M1858 CarbonylContact O-C 3.43Å; I1718-M1858 VanDerWaalsContact O-CA 3.29Å; I1718-M1858 WeakPolarHBondContact O-CA 3.36Å; I1718-V1859 PolarHBondContact N-O 3.1Å; I1718-V1859 PolarHBondContact O-N 3.26Å; I1718-Y1861 HydrophobicContact CD1-CD2 4.17Å; I1718-Y1861 HydrophobicContact CD1-CE2 4.26Å; I1718-F1895 HydrophobicContact CD1-CE1 3.92Å; I1718-F1895 HydrophobicContact CD1-CZ 4.45Å; I1718-V1899 HydrophobicContact CD1-CG1 4.3Å; I1718-V1899 HydrophobicContact CD1-CG2 4.38Å; I1718-V1926 HydrophobicContact CG2-CG1 3.59Å; I1718-A1928 HydrophobicContact CG1-CB 4.5Å
1719	N	87.7	Confident	72.9	Confident	32.8 Å²	32.8	56.2 Å²	56.2	18%	0.175	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.4	173.4	-178	33.1	0	0	0	109.9	T1857 M1858 Q1927 L1961	N1719-T1857 WeakPolarHBondContact OD1-CB 3.36Å; N1719-T1857 PolarHBondContact OD1-OG1 3.01Å; N1719-M1858 HydrophobicContact CB-CG 3.93Å; N1719-Q1927 HydrophobicContact CB-CB 4.23Å; N1719-Q1927 PolarHBondContact N-O 3.17Å; N1719-Q1927 PolarHBondContact ND2-OE1 3.13Å; N1719-Q1927 WeakPolarHBondContact O-CB 3.25Å; N1719-Q1927 PolarHBondContact O-N 3.04Å; N1719-L1961 HydrophobicContact CB-CD1 4.35Å; N1719-L1961 HydrophobicContact CB-CD2 4.17Å
1720	F	85.7	Confident	70.8	Confident	6.8 Å²	6.8	57.6 Å²	57.6	3%	0.03	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	110.6	178.8	-64.2	-74.5	0	0	0	111	I1718 V1722 L1775 V1778 I1779 V1782 T1857 V1859 V1899 I1924 V1926	I1718-F1720 HydrophobicContact CB-CE2 4.44Å; I1718-F1720 HydrophobicContact CB-CZ 4.39Å; I1718-F1720 HydrophobicContact CG2-CD1 4.41Å; I1718-F1720 HydrophobicContact CG2-CD2 4.39Å; I1718-F1720 HydrophobicContact CG2-CE1 3.86Å; I1718-F1720 HydrophobicContact CG2-CE2 3.95Å; I1718-F1720 HydrophobicContact CG2-CZ 3.58Å; I1718-F1720 VanDerWaalsContact CG2-CZ 3.47Å; F1720-V1722 PolarHBondContact O-N 3.05Å; F1720-L1775 HydrophobicContact CB-CD1 3.83Å; F1720-L1775 HydrophobicContact CD2-CD1 4Å; F1720-L1775 HydrophobicContact CG-CD1 4.15Å; F1720-V1778 HydrophobicContact CD1-CG1 3.84Å; F1720-V1778 HydrophobicContact CE1-CG1 3.51Å; F1720-V1778 VanDerWaalsContact CE1-CG1 3.48Å; F1720-V1778 HydrophobicContact CE2-CG1 4.45Å; F1720-V1778 HydrophobicContact CG-CG1 4.48Å; F1720-V1778 HydrophobicContact CZ-CG1 3.92Å; F1720-I1779 HydrophobicContact CD2-CG1 4.48Å; F1720-I1779 HydrophobicContact CE2-CG1 4.26Å; F1720-V1782 HydrophobicContact CZ-CG2 4.08Å; F1720-T1857 WeakPolarHBondContact CD2-O 3.47Å; F1720-T1857 PolarHBondContact N-O 3.29Å; F1720-T1857 WeakPolarHBondContact O-CB 3.4Å; F1720-T1857 WeakPolarHBondContact O-CG2 3.36Å; F1720-V1859 HydrophobicContact CE2-CB 4.45Å; F1720-V1859 HydrophobicContact CE2-CG2 4.21Å; F1720-V1899 HydrophobicContact CE1-CG1 4.43Å; F1720-I1924 HydrophobicContact CD1-CG2 4.39Å; F1720-V1926 HydrophobicContact CD1-CG2 4.29Å; F1720-V1926 HydrophobicContact CE1-CG2 4.23Å
1721	I	81.3	Confident	68.6	Low	55.6 Å²	55.6	64.7 Å²	64.7	29%	0.285	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	106.2	177.9	-57.8	-177.7	0	0	0	108.6	I1723 Y1925 Q1927	I1721-I1723 HydrophobicContact CG2-CD1 4.45Å; I1721-I1723 HydrophobicContact CG2-CG1 3.97Å; I1721-I1723 PolarHBondContact O-N 3.37Å; I1721-Y1925 PolarHBondContact N-O 3.11Å; I1721-Y1925 PolarHBondContact O-N 3.27Å; I1721-Q1927 HydrophobicContact CD1-CB 4.3Å; I1721-Q1927 VanDerWaalsContact CD1-CD 3.47Å; I1721-Q1927 HydrophobicContact CG1-CG 4.42Å
1722	V	78.1	Confident	66.6	Low	20.6 Å²	20.6	66.6 Å²	66.6	13%	0.125	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	105.3	177	-176.8	0	0	0	0	109.2	F1720 R1771 L1774 R1922 Q1923 I1924	F1720-V1722 PolarHBondContact O-N 3.05Å; V1722-R1771 HydrophobicContact CG1-CG 4.08Å; V1722-R1771 PolarHBondContact O-NH2 3.35Å; V1722-L1774 HydrophobicContact CG1-CD2 4.15Å; V1722-L1774 HydrophobicContact CG2-CD2 3.87Å; V1722-R1922 HydrophobicContact CG1-CB 4.13Å; V1722-R1922 HydrophobicContact CG1-CG 3.75Å; V1722-Q1923 WeakPolarHBondContact CA-O 3.29Å; V1722-I1924 HydrophobicContact CG2-CG2 4.46Å
1723	I	71.8	Confident	64.7	Low	59.4 Å²	59.4	70.8 Å²	70.8	31%	0.305	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	122.3	179.2	-58.8	-174.2	0	0	0	109.4	I1721 S1725 R1922 Q1923 Y1925 G1970	I1721-I1723 HydrophobicContact CG2-CD1 4.45Å; I1721-I1723 HydrophobicContact CG2-CG1 3.97Å; I1721-I1723 PolarHBondContact O-N 3.37Å; I1723-S1725 PolarHBondContact O-N 3.12Å; I1723-R1922 WeakPolarHBondContact O-CA 3.36Å; I1723-R1922 WeakPolarHBondContact O-CG 3.48Å; I1723-Q1923 PolarHBondContact N-O 3.11Å; I1723-Q1923 PolarHBondContact O-N 3.28Å; I1723-Y1925 HydrophobicContact CD1-CD2 3.83Å; I1723-Y1925 HydrophobicContact CD1-CE2 4.06Å; I1723-Y1925 HydrophobicContact CG1-CD2 4.17Å; I1723-Y1925 HydrophobicContact CG1-CE2 4.45Å; I1723-G1970 WeakPolarHBondContact CD1-O 3.39Å
1724	P	63.7	Low	62.2	Low	56.6 Å²	56.6	79.9 Å²	79.9	37%	0.368	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-70.7	121.4	168.2	28.7	-30.6	0	0	0	109.5	K1726	P1724-K1726 PolarHBondContact O-N 3.27Å; P1724-K1726 VanDerWaalsContact O-N 3.17Å
1725	S	56	Low	60	Low	38.8 Å²	38.8	88.5 Å²	88.5	27%	0.271	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-66.6	118.9	166.3	-3.7	0	0	0	0	108.2	I1723 C1920 S1921	I1723-S1725 PolarHBondContact O-N 3.12Å; S1725-C1920 PolarHBondContact O-SG 3.21Å; S1725-S1921 WeakPolarHBondContact CB-O 3.3Å; S1725-S1921 PolarHBondContact N-O 3.33Å; S1725-S1921 PolarHBondContact OG-N 3.32Å; S1725-S1921 PolarHBondContact OG-O 3.19Å; S1725-S1921 VanDerWaalsContact OG-O 3.06Å
1726	K	44.7	Very low	57.6	Low	192 Å²	192	94 Å²	94	84%	0.835	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-59.2	128.6	167.8	-67.8	-178.8	179.5	179.3	0	107.7	P1724 L1728	P1724-K1726 PolarHBondContact O-N 3.27Å; P1724-K1726 VanDerWaalsContact O-N 3.17Å; K1726-L1728 PolarHBondContact O-N 3.04Å; K1726-L1728 VanDerWaalsContact O-N 3.11Å
1727	P	44.7	Very low	55.2	Low	109 Å²	109	98.5 Å²	98.5	71%	0.708	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-59.8	124.9	171.1	25.2	-32	0	0	0	107.9	V1729	P1727-V1729 VanDerWaalsContact C-N 3.27Å; P1727-V1729 PolarHBondContact O-N 3.09Å
1728	L	38.5	Very low	52.8	Low	159 Å²	159	105.5 Å²	105.5	83%	0.832	55%	0.554	S	S	*	*			trans	-72.4	83.5	179.8	-170.4	74.8	0	0	0	108.6	K1726 T1730	K1726-L1728 PolarHBondContact O-N 3.04Å; K1726-L1728 VanDerWaalsContact O-N 3.11Å; L1728-T1730 VanDerWaalsContact C-N 3.32Å; L1728-T1730 PolarHBondContact O-N 3.1Å; L1728-T1730 VanDerWaalsContact O-N 3.1Å; L1728-T1730 PolarHBondContact O-OG1 3.16Å; L1728-T1730 VanDerWaalsContact O-OG1 3.12Å
1729	V	38	Very low	50.4	Low	120.2 Å²	120.2	111 Å²	111	73%	0.728	59%	0.592	S	S	*	*			trans	-58.4	105.6	172.3	177.9	0	0	0	0	107.1	P1727 Q1731	P1727-V1729 VanDerWaalsContact C-N 3.27Å; P1727-V1729 PolarHBondContact O-N 3.09Å; V1729-Q1731 PolarHBondContact O-N 3.03Å
1730	T	36.4	Very low	48	Very low	105.4 Å²	105.4	114 Å²	114	65%	0.647	62%	0.616	S	S	*	*			trans	-74.7	91.2	-171.7	-39.8	0	0	0	0	108.6	L1728 Q1732	L1728-T1730 VanDerWaalsContact C-N 3.32Å; L1728-T1730 PolarHBondContact O-N 3.1Å; L1728-T1730 VanDerWaalsContact O-N 3.1Å; L1728-T1730 PolarHBondContact O-OG1 3.16Å; L1728-T1730 VanDerWaalsContact O-OG1 3.12Å; T1730-Q1732 HydrophobicContact CG2-CB 4.3Å; T1730-Q1732 HydrophobicContact CG2-CG 4.12Å; T1730-Q1732 PolarHBondContact O-N 3.21Å
1731	Q	35.2	Very low	45.6	Very low	176.6 Å²	176.6	123.2 Å²	123.2	83%	0.825	65%	0.651	S	S	*	*			trans	-70.2	65	167	-73.5	-170.5	-27.7	0	0	110.1	V1729 Q1733	V1729-Q1731 PolarHBondContact O-N 3.03Å; Q1731-Q1733 VanDerWaalsContact C-N 3.33Å; Q1731-Q1733 PolarHBondContact O-N 3.09Å
1732	Q	35.9	Very low	43.7	Very low	179 Å²	179	127.1 Å²	127.1	84%	0.836	67%	0.673	S	S	*	*			trans	-82.5	79.5	158.4	-79	-171.5	-7.9	0	0	108.1	T1730 K1734	T1730-Q1732 HydrophobicContact CG2-CB 4.3Å; T1730-Q1732 HydrophobicContact CG2-CG 4.12Å; T1730-Q1732 PolarHBondContact O-N 3.21Å; Q1732-K1734 VanDerWaalsContact C-N 3.32Å; Q1732-K1734 PolarHBondContact O-N 3.22Å; Q1732-K1734 VanDerWaalsContact O-N 3.12Å
1733	Q	36.9	Very low	41.8	Very low	170 Å²	170	131.3 Å²	131.3	79%	0.794	70%	0.703	S	S	*	*			trans	-87.7	112.8	174.9	-146.7	175.4	15	0	0	109.4	Q1731 Q1735	Q1731-Q1733 VanDerWaalsContact C-N 3.33Å; Q1731-Q1733 PolarHBondContact O-N 3.09Å; Q1733-Q1735 HydrophobicContact CB-CG 4.44Å; Q1733-Q1735 PolarHBondContact O-N 3.28Å
1734	K	32.3	Very low	40.2	Very low	190.4 Å²	190.4	135 Å²	135	83%	0.828	73%	0.729	S	S	*	*			trans	52.5	78.7	152.5	-157.4	-179	179.9	178.5	0	114.9	Q1732 T1736	Q1732-K1734 VanDerWaalsContact C-N 3.32Å; Q1732-K1734 PolarHBondContact O-N 3.22Å; Q1732-K1734 VanDerWaalsContact O-N 3.12Å; K1734-T1736 VanDerWaalsContact C-N 3.29Å; K1734-T1736 PolarHBondContact O-N 2.81Å
1735	Q	37.5	Very low	38.9	Very low	180.8 Å²	180.8	136.8 Å²	136.8	85%	0.845	75%	0.748	S	S	*	*			trans	-127.4	107.3	147.7	-92	170.9	26.5	0	0	106.7	Q1733	Q1733-Q1735 HydrophobicContact CB-CG 4.44Å; Q1733-Q1735 PolarHBondContact O-N 3.28Å
1736	T	38	Very low	38	Very low	115.6 Å²	115.6	140.5 Å²	140.5	71%	0.709	77%	0.774	S	S	*	*				109.5	131.3	101.6	49	0	0	0	0	113.1	K1734 D1738	K1734-T1736 VanDerWaalsContact C-N 3.29Å; K1734-T1736 PolarHBondContact O-N 2.81Å; T1736-D1738 PolarHBondContact O-N 3.09Å
1737	S	37.9	Very low	37.6	Very low	95.4 Å²	95.4	135.5 Å²	135.5	67%	0.667	77%	0.769	S	S	*	*			trans	39.4	134.7	151.4	48.3	0	0	0	0	115.8
1738	D	39.6	Very low	37.2	Very low	148.2 Å²	148.2	136.4 Å²	136.4	79%	0.793	77%	0.773	S	S	*	*				151.5	145.2	88.8	-75.1	-28.9	0	0	0	115.1	T1736	T1736-D1738 PolarHBondContact O-N 3.09Å
1739	S	38.7	Very low	37.2	Very low	118.8 Å²	118.8	136.1 Å²	136.1	83%	0.831	77%	0.769	S	S	*	*			trans	54.6	148.1	165.9	74.5	0	0	0	0	116.6
1740	S	36.6	Very low	37.2	Very low	95.2 Å²	95.2	136.6 Å²	136.6	67%	0.666	77%	0.767	S	S	*	*			cis	-167.6	162.6	-21.6	-176.5	0	0	0	0	110.4
1741	Y	36	Very low	37.3	Very low	199.6 Å²	199.6	138 Å²	138	78%	0.783	77%	0.771	S	S	*	*			trans	59.2	109	166.2	-70	-74.1	0	0	0	119.2
1742	N	40.7	Very low	37.4	Very low	139 Å²	139	135.4 Å²	135.4	74%	0.743	77%	0.772	S	S	*	*				64.2	99.2	127.9	-58.1	-3.2	0	0	0	120.7
1743	S	37.9	Very low	37.4	Very low	108.6 Å²	108.6	135.6 Å²	135.6	76%	0.759	77%	0.773	S	S	*	*				-177.3	109.1	110.6	49.1	0	0	0	0	110.2
1744	T	38.4	Very low	37.3	Very low	136.8 Å²	136.8	132.4 Å²	132.4	84%	0.839	77%	0.77	S	S	*	*				43.8	112.4	95.3	60.1	0	0	0	0	114
1745	A	38	Very low	37.3	Very low	94 Å²	94	132.5 Å²	132.5	78%	0.777	77%	0.77	S	S	*	*			trans	-162.8	124.7	136.3	0	0	0	0	0	111.6
1746	S	35.9	Very low	37.3	Very low	116.4 Å²	116.4	129.2 Å²	129.2	81%	0.814	77%	0.767	S	S	*	*				-67.4	125	126.7	56.8	0	0	0	0	112.3
1747	A	37	Very low	36.9	Very low	88.4 Å²	88.4	133.2 Å²	133.2	73%	0.731	78%	0.775	S	S	*	*				147.8	140.3	82.2	0	0	0	0	0	111.9
1748	T	36.9	Very low	36.7	Very low	126.4 Å²	126.4	134.8 Å²	134.8	78%	0.775	78%	0.78	S	S	*	*				-167.2	114.3	108	-44.3	0	0	0	0	108.8	N1750	T1748-N1750 PolarHBondContact O-N 2.97Å
1749	M	37	Very low	36.4	Very low	153.4 Å²	153.4	136 Å²	136	76%	0.756	78%	0.781	S	S	*	*				28.6	141.2	107.7	-81.2	-174.9	142.3	0	0	113.5
1750	N	38.1	Very low	36.4	Very low	129.6 Å²	129.6	135.5 Å²	135.5	69%	0.693	77%	0.773	S	S	*	*				-172.3	118.8	98.1	-89.8	-23.8	0	0	0	112.6	T1748 S1752	T1748-N1750 PolarHBondContact O-N 2.97Å; N1750-S1752 PolarHBondContact O-N 3.35Å
1751	N	39	Very low	36.7	Very low	135.2 Å²	135.2	137.7 Å²	137.7	72%	0.723	78%	0.777	S	S	*	*			trans	29.8	110.7	130.7	-58.2	-15.9	0	0	0	116.7
1752	S	37.4	Very low	37.3	Very low	122.8 Å²	122.8	134.7 Å²	134.7	86%	0.859	78%	0.775	S	S	*	*			trans	-148.1	93.2	140.1	-91.2	0	0	0	0	109.6	N1750 S1754	N1750-S1752 PolarHBondContact O-N 3.35Å; S1752-S1754 PolarHBondContact O-N 2.88Å
1753	E	34.9	Very low	38.2	Very low	182.4 Å²	182.4	132.2 Å²	132.2	85%	0.852	76%	0.759	S	S	*	*			trans	-79.5	130.4	172.9	-81.1	-178.5	131.2	0	0	111	K1755	E1753-K1755 PolarHBondContact O-N 3.17Å; E1753-K1755 IonicContact OE1-NZ 3.7Å; E1753-K1755 IonicContact OE2-NZ 2.89Å; E1753-K1755 PolarHBondContact OE2-NZ 3.16Å
1754	S	34.9	Very low	39.6	Very low	103.8 Å²	103.8	132.8 Å²	132.8	73%	0.726	75%	0.75	S	S	*	*			trans	160	105.7	151.7	-149.4	0	0	0	0	114.7	S1752 S1756	S1752-S1754 PolarHBondContact O-N 2.88Å; S1754-S1756 PolarHBondContact O-N 2.86Å
1755	K	33.6	Very low	41.2	Very low	192.8 Å²	192.8	130.8 Å²	130.8	84%	0.838	74%	0.739	S	S	*	*			trans	26.2	104.9	147.7	-71.7	166.3	-177.2	164.5	0	112.8	E1753 K1757	E1753-K1755 PolarHBondContact O-N 3.17Å; E1753-K1755 IonicContact OE1-NZ 3.7Å; E1753-K1755 IonicContact OE2-NZ 2.89Å; E1753-K1755 PolarHBondContact OE2-NZ 3.16Å; K1755-K1757 PolarHBondContact O-N 3.13Å
1756	S	36.7	Very low	42.9	Very low	110.4 Å²	110.4	129.9 Å²	129.9	77%	0.772	72%	0.724	S	S	*	*				-139.1	128.3	112.8	54.4	0	0	0	0	110.1	S1754 T1758	S1754-S1756 PolarHBondContact O-N 2.86Å; S1756-T1758 PolarHBondContact O-N 2.96Å
1757	K	30.4	Very low	44.7	Very low	200.4 Å²	200.4	127.4 Å²	127.4	87%	0.871	70%	0.699	S	S	*	*			trans	-71.1	133.4	158.2	-73.3	177.3	176.9	176.1	0	107.2	K1755 Q1759	K1755-K1757 PolarHBondContact O-N 3.13Å; K1757-Q1759 PolarHBondContact O-N 3.28Å
1758	T	32.3	Very low	46.6	Very low	128.2 Å²	128.2	126 Å²	126	79%	0.787	68%	0.679	S	S	*	*			trans	125.9	91.5	164.4	-48.9	0	0	0	0	109.8	S1756 V1760	S1756-T1758 PolarHBondContact O-N 2.96Å; T1758-V1760 VanDerWaalsContact C-N 3.29Å; T1758-V1760 HydrophobicContact CG2-CB 4.39Å; T1758-V1760 HydrophobicContact CG2-CG2 4.24Å; T1758-V1760 PolarHBondContact O-N 3.14Å
1759	Q	34.2	Very low	48.6	Very low	173.8 Å²	173.8	121.6 Å²	121.6	81%	0.812	66%	0.656	S	S	*	*			trans	-111.8	94.1	160.8	-153.9	173.9	15.1	0	0	107.8	K1757 N1761 N1762	K1757-Q1759 PolarHBondContact O-N 3.28Å; Q1759-N1761 VanDerWaalsContact C-N 3.3Å; Q1759-N1761 PolarHBondContact O-N 3.1Å; Q1759-N1762 PolarHBondContact NE2-ND2 3.44Å
1760	V	39.3	Very low	50.5	Low	108 Å²	108	117.6 Å²	117.6	66%	0.655	64%	0.637	S	S	*	*			trans	-102.7	114	174.7	175.7	0	0	0	0	106.5	T1758 N1762	T1758-V1760 VanDerWaalsContact C-N 3.29Å; T1758-V1760 HydrophobicContact CG2-CB 4.39Å; T1758-V1760 HydrophobicContact CG2-CG2 4.24Å; T1758-V1760 PolarHBondContact O-N 3.14Å; V1760-N1762 WeakPolarHBondContact CG1-OD1 3.27Å; V1760-N1762 PolarHBondContact O-N 3.31Å
1761	N	43.1	Very low	52.3	Low	142.2 Å²	142.2	114.7 Å²	114.7	76%	0.76	62%	0.616	S	S	*	*			trans	45.9	42.9	164.6	-57.9	-6.7	0	0	0	116.2	Q1759 E1763	Q1759-N1761 VanDerWaalsContact C-N 3.3Å; Q1759-N1761 PolarHBondContact O-N 3.1Å; N1761-E1763 VanDerWaalsContact C-N 3.27Å; N1761-E1763 PolarHBondContact O-N 3.1Å; N1761-E1763 VanDerWaalsContact O-N 3.07Å
1762	N	47.5	Very low	54.4	Low	136.4 Å²	136.4	111 Å²	111	73%	0.729	60%	0.599	S	S	*	*			trans	-89.9	87.1	159.8	-73.1	-17.4	0	0	0	108	Q1759 V1760 E1764	Q1759-N1762 PolarHBondContact NE2-ND2 3.44Å; V1760-N1762 WeakPolarHBondContact CG1-OD1 3.27Å; V1760-N1762 PolarHBondContact O-N 3.31Å; N1762-E1764 PolarHBondContact O-N 3.06Å; N1762-E1764 VanDerWaalsContact O-N 3.12Å
1763	E	59.3	Low	56.6	Low	87 Å²	87	112.6 Å²	112.6	41%	0.407	59%	0.586	S	S	.	*			trans	-62.2	121	164	-73.1	-167.5	176.3	0	0	107.8	T1111 N1761 I1768 R1771	T1111-E1763 PolarHBondContact OG1-OE2 3.35Å; N1761-E1763 VanDerWaalsContact C-N 3.27Å; N1761-E1763 PolarHBondContact O-N 3.1Å; N1761-E1763 VanDerWaalsContact O-N 3.07Å; E1763-I1768 HydrophobicContact CB-CD1 4.12Å; E1763-I1768 HydrophobicContact CB-CG1 4.19Å; E1763-I1768 WeakPolarHBondContact OE2-CG1 3.17Å; E1763-R1771 VanDerWaalsContact CD-NH1 3.25Å; E1763-R1771 IonicContact OE1-CZ 3.75Å; E1763-R1771 IonicContact OE1-NH1 3.05Å; E1763-R1771 PolarHBondContact OE1-NH1 3.13Å; E1763-R1771 IonicContact OE1-NH2 2.64Å; E1763-R1771 IonicContact OE2-CZ 2.7Å; E1763-R1771 IonicContact OE2-NH1 3.26Å; E1763-R1771 PolarHBondContact OE2-NH1 3.28Å
1764	E	66.9	Low	58.8	Low	120.8 Å²	120.8	105.8 Å²	105.8	56%	0.564	56%	0.555	S	S	*	*			trans	-65.6	138.1	179.2	-148.8	-174.1	131.9	0	0	109.4	N1762 T1766 E1767 I1768	N1762-E1764 PolarHBondContact O-N 3.06Å; N1762-E1764 VanDerWaalsContact O-N 3.12Å; E1764-T1766 WeakPolarHBondContact CB-OG1 3.36Å; E1764-T1766 HydrophobicContact CG-CG2 4.5Å; E1764-T1766 VanDerWaalsContact CG-OG1 3.27Å; E1764-T1766 WeakPolarHBondContact CG-OG1 3.42Å; E1764-T1766 PolarHBondContact O-N 3.09Å; E1764-T1766 WeakPolarHBondContact OE1-CB 3.4Å; E1764-T1766 VanDerWaalsContact OE1-CG2 3.26Å; E1764-T1766 WeakPolarHBondContact OE1-CG2 3.42Å; E1764-T1766 PolarHBondContact OE1-OG1 3.21Å; E1764-T1766 PolarHBondContact OE2-OG1 3.22Å; E1764-E1767 HydrophobicContact CB-CG 4.32Å; E1764-E1767 WeakPolarHBondContact O-CB 3.43Å; E1764-E1767 PolarHBondContact O-N 3.29Å; E1764-I1768 PolarHBondContact O-N 3.1Å
1765	P	72.2	Confident	61.2	Low	95.4 Å²	95.4	102.1 Å²	102.1	62%	0.619	53%	0.527	S	S	*	.	H	α-helix	trans	-58.5	-21.1	-178.1	21.4	-34.1	0	0	0	113.7	A1769	P1765-A1769 VanDerWaalsContact O-CB 3.31Å; P1765-A1769 WeakPolarHBondContact O-CB 3.36Å; P1765-A1769 PolarHBondContact O-N 3.21Å; P1765-A1769 VanDerWaalsContact O-N 3.11Å
1766	T	73.7	Confident	63.7	Low	74.4 Å²	74.4	96.6 Å²	96.6	46%	0.456	51%	0.507	S	S	.	.	H	α-helix	trans	-63.7	-46.1	170.9	51.3	0	0	0	0	112.4	E1764 I1768 A1769 D1770	E1764-T1766 WeakPolarHBondContact CB-OG1 3.36Å; E1764-T1766 HydrophobicContact CG-CG2 4.5Å; E1764-T1766 VanDerWaalsContact CG-OG1 3.27Å; E1764-T1766 WeakPolarHBondContact CG-OG1 3.42Å; E1764-T1766 PolarHBondContact O-N 3.09Å; E1764-T1766 WeakPolarHBondContact OE1-CB 3.4Å; E1764-T1766 VanDerWaalsContact OE1-CG2 3.26Å; E1764-T1766 WeakPolarHBondContact OE1-CG2 3.42Å; E1764-T1766 PolarHBondContact OE1-OG1 3.21Å; E1764-T1766 PolarHBondContact OE2-OG1 3.22Å; T1766-I1768 VanDerWaalsContact C-N 3.34Å; T1766-I1768 PolarHBondContact O-N 3.29Å; T1766-A1769 PolarHBondContact O-N 3.05Å; T1766-D1770 PolarHBondContact O-N 3.11Å
1767	E	73.5	Confident	66	Low	64 Å²	64	96.8 Å²	96.8	30%	0.299	49%	0.491	S	S	.	.	H	α-helix	trans	-64.9	-40.4	177.1	-168.3	161	-153.3	0	0	111.4	E1764 A1769 D1770 R1771 R1922	E1764-E1767 HydrophobicContact CB-CG 4.32Å; E1764-E1767 WeakPolarHBondContact O-CB 3.43Å; E1764-E1767 PolarHBondContact O-N 3.29Å; E1767-A1769 PolarHBondContact O-N 3.34Å; E1767-D1770 PolarHBondContact O-N 3.29Å; E1767-R1771 HydrophobicContact CG-CG 4.39Å; E1767-R1771 WeakPolarHBondContact O-CB 3.45Å; E1767-R1771 VanDerWaalsContact O-CG 3.28Å; E1767-R1771 WeakPolarHBondContact O-CG 3.32Å; E1767-R1771 PolarHBondContact O-N 3.16Å; E1767-R1922 IonicContact OE1-CZ 3.25Å; E1767-R1922 VanDerWaalsContact OE1-CZ 3.24Å; E1767-R1922 IonicContact OE1-NE 3.83Å; E1767-R1922 PolarHBondContact OE1-NE 3.2Å; E1767-R1922 IonicContact OE1-NH1 2.74Å; E1767-R1922 PolarHBondContact OE1-NH1 3Å; E1767-R1922 IonicContact OE1-NH2 3.07Å; E1767-R1922 PolarHBondContact OE1-NH2 3.34Å
1768	I	77.6	Confident	68.6	Low	58.8 Å²	58.8	87.3 Å²	87.3	30%	0.302	45%	0.45	S	S	.	.	H	α-helix	trans	-63.8	-45.4	176.1	-59.3	175	0	0	0	110.2	T1109 E1763 E1764 T1766 D1770 R1771 V1772	T1109-I1768 HydrophobicContact CG2-CD1 3.96Å; E1763-I1768 HydrophobicContact CB-CD1 4.12Å; E1763-I1768 HydrophobicContact CB-CG1 4.19Å; E1763-I1768 WeakPolarHBondContact OE2-CG1 3.17Å; E1764-I1768 PolarHBondContact O-N 3.1Å; T1766-I1768 VanDerWaalsContact C-N 3.34Å; T1766-I1768 PolarHBondContact O-N 3.29Å; I1768-D1770 VanDerWaalsContact C-N 3.32Å; I1768-D1770 PolarHBondContact O-N 3.21Å; I1768-R1771 WeakPolarHBondContact O-CB 3.32Å; I1768-R1771 PolarHBondContact O-N 3.18Å; I1768-R1771 VanDerWaalsContact O-N 3.17Å; I1768-V1772 HydrophobicContact CG2-CG2 4.45Å; I1768-V1772 VanDerWaalsContact O-CG2 3.31Å; I1768-V1772 WeakPolarHBondContact O-CG2 3.42Å; I1768-V1772 PolarHBondContact O-N 3.18Å
1769	A	79.2	Confident	71.1	Confident	34.8 Å²	34.8	82.2 Å²	82.2	29%	0.288	42%	0.418	S	S	.	.	H	α-helix	trans	-59.9	-41.3	176.6	0	0	0	0	0	112.3	P1765 T1766 E1767 V1772 R1773	P1765-A1769 VanDerWaalsContact O-CB 3.31Å; P1765-A1769 WeakPolarHBondContact O-CB 3.36Å; P1765-A1769 PolarHBondContact O-N 3.21Å; P1765-A1769 VanDerWaalsContact O-N 3.11Å; T1766-A1769 PolarHBondContact O-N 3.05Å; E1767-A1769 PolarHBondContact O-N 3.34Å; A1769-V1772 PolarHBondContact O-N 3.18Å; A1769-R1773 WeakPolarHBondContact O-CB 3.41Å; A1769-R1773 VanDerWaalsContact O-CG 3.27Å; A1769-R1773 WeakPolarHBondContact O-CG 3.34Å; A1769-R1773 PolarHBondContact O-N 3.07Å
1770	D	76.5	Confident	73.6	Confident	68.4 Å²	68.4	79.1 Å²	79.1	37%	0.366	40%	0.402	S	S	.	.	H	α-helix	trans	-70.3	-34.9	177.1	-77.6	-12.8	0	0	0	113.3	T1766 E1767 I1768 V1772 R1773 L1774	T1766-D1770 PolarHBondContact O-N 3.11Å; E1767-D1770 PolarHBondContact O-N 3.29Å; I1768-D1770 VanDerWaalsContact C-N 3.32Å; I1768-D1770 PolarHBondContact O-N 3.21Å; D1770-V1772 VanDerWaalsContact C-N 3.34Å; D1770-R1773 WeakPolarHBondContact O-CB 3.34Å; D1770-R1773 PolarHBondContact O-N 2.95Å; D1770-R1773 VanDerWaalsContact OD1-CD 3.25Å; D1770-R1773 WeakPolarHBondContact OD1-CD 3.36Å; D1770-R1773 IonicContact OD1-CZ 3.27Å; D1770-R1773 IonicContact OD1-NE 3.87Å; D1770-R1773 IonicContact OD1-NH1 3.26Å; D1770-R1773 PolarHBondContact OD1-NH1 3.15Å; D1770-L1774 VanDerWaalsContact O-CB 3.31Å; D1770-L1774 WeakPolarHBondContact O-CB 3.39Å; D1770-L1774 PolarHBondContact O-N 3.1Å
1771	R	77.2	Confident	75.7	Confident	68.8 Å²	68.8	74.9 Å²	74.9	26%	0.26	38%	0.376	S	S	.	.	H	α-helix	trans	-62.2	-42.7	170.8	-72	166.7	78	-177	8.7	111.1	V1722 E1763 E1767 I1768 R1773 L1774 L1775 R1922	V1722-R1771 HydrophobicContact CG1-CG 4.08Å; V1722-R1771 PolarHBondContact O-NH2 3.35Å; E1763-R1771 VanDerWaalsContact CD-NH1 3.25Å; E1763-R1771 IonicContact OE1-CZ 3.75Å; E1763-R1771 IonicContact OE1-NH1 3.05Å; E1763-R1771 PolarHBondContact OE1-NH1 3.13Å; E1763-R1771 IonicContact OE1-NH2 2.64Å; E1763-R1771 IonicContact OE2-CZ 2.7Å; E1763-R1771 IonicContact OE2-NH1 3.26Å; E1763-R1771 PolarHBondContact OE2-NH1 3.28Å; E1767-R1771 HydrophobicContact CG-CG 4.39Å; E1767-R1771 WeakPolarHBondContact O-CB 3.45Å; E1767-R1771 VanDerWaalsContact O-CG 3.28Å; E1767-R1771 WeakPolarHBondContact O-CG 3.32Å; E1767-R1771 PolarHBondContact O-N 3.16Å; I1768-R1771 WeakPolarHBondContact O-CB 3.32Å; I1768-R1771 PolarHBondContact O-N 3.18Å; I1768-R1771 VanDerWaalsContact O-N 3.17Å; R1771-R1773 VanDerWaalsContact C-N 3.33Å; R1771-R1773 PolarHBondContact O-N 2.81Å; R1771-L1774 PolarHBondContact O-N 2.94Å; R1771-L1775 VanDerWaalsContact O-CB 3.31Å; R1771-L1775 WeakPolarHBondContact O-CB 3.41Å; R1771-L1775 PolarHBondContact O-N 3.24Å; R1771-R1922 VanDerWaalsContact NE-NH2 3.16Å
1772	V	82.7	Confident	77.8	Confident	58.2 Å²	58.2	68.1 Å²	68.1	35%	0.353	34%	0.34	S	S	.	.	H	α-helix	trans	-67.3	-41.6	176.5	173.2	0	0	0	0	111.6	I1768 A1769 D1770 L1774 L1775 N1776	I1768-V1772 HydrophobicContact CG2-CG2 4.45Å; I1768-V1772 VanDerWaalsContact O-CG2 3.31Å; I1768-V1772 WeakPolarHBondContact O-CG2 3.42Å; I1768-V1772 PolarHBondContact O-N 3.18Å; A1769-V1772 PolarHBondContact O-N 3.18Å; D1770-V1772 VanDerWaalsContact C-N 3.34Å; V1772-L1774 VanDerWaalsContact C-N 3.34Å; V1772-L1774 PolarHBondContact O-N 3.37Å; V1772-L1775 PolarHBondContact O-N 3.23Å; V1772-N1776 WeakPolarHBondContact O-CB 3.4Å; V1772-N1776 VanDerWaalsContact O-CG 3.29Å; V1772-N1776 PolarHBondContact O-N 3.24Å; V1772-N1776 PolarHBondContact O-ND2 2.68Å; V1772-N1776 PolarHBondContact O-OD1 3.26Å
1773	R	83	Confident	79.6	Confident	155.6 Å²	155.6	63.3 Å²	63.3	59%	0.587	31%	0.314	S	S	*	.	H	α-helix	trans	-58.1	-46.6	173.5	-89.5	166.6	173	150.8	-5.3	111.7	A1769 D1770 R1771 N1776 R1777	A1769-R1773 WeakPolarHBondContact O-CB 3.41Å; A1769-R1773 VanDerWaalsContact O-CG 3.27Å; A1769-R1773 WeakPolarHBondContact O-CG 3.34Å; A1769-R1773 PolarHBondContact O-N 3.07Å; D1770-R1773 WeakPolarHBondContact O-CB 3.34Å; D1770-R1773 PolarHBondContact O-N 2.95Å; D1770-R1773 VanDerWaalsContact OD1-CD 3.25Å; D1770-R1773 WeakPolarHBondContact OD1-CD 3.36Å; D1770-R1773 IonicContact OD1-CZ 3.27Å; D1770-R1773 IonicContact OD1-NE 3.87Å; D1770-R1773 IonicContact OD1-NH1 3.26Å; D1770-R1773 PolarHBondContact OD1-NH1 3.15Å; R1771-R1773 VanDerWaalsContact C-N 3.33Å; R1771-R1773 PolarHBondContact O-N 2.81Å; R1773-N1776 PolarHBondContact O-N 2.91Å; R1773-R1777 WeakPolarHBondContact O-CB 3.41Å; R1773-R1777 PolarHBondContact O-N 2.93Å; R1773-R1777 VanDerWaalsContact O-N 3.1Å
1774	L	81.5	Confident	80.7	Confident	40.4 Å²	40.4	60.8 Å²	60.8	21%	0.212	31%	0.306	C	S	.	.	H	α-helix	trans	-64.9	-44.3	178.4	-177.3	75.4	0	0	0	111.6	V1722 D1770 R1771 V1772 N1776 R1777 V1778 R1922 I1924	V1722-L1774 HydrophobicContact CG1-CD2 4.15Å; V1722-L1774 HydrophobicContact CG2-CD2 3.87Å; D1770-L1774 VanDerWaalsContact O-CB 3.31Å; D1770-L1774 WeakPolarHBondContact O-CB 3.39Å; D1770-L1774 PolarHBondContact O-N 3.1Å; R1771-L1774 PolarHBondContact O-N 2.94Å; V1772-L1774 VanDerWaalsContact C-N 3.34Å; V1772-L1774 PolarHBondContact O-N 3.37Å; L1774-N1776 PolarHBondContact O-N 3.09Å; L1774-R1777 WeakPolarHBondContact O-CB 3.21Å; L1774-R1777 PolarHBondContact O-N 3.22Å; L1774-R1777 VanDerWaalsContact O-N 3.14Å; L1774-V1778 HydrophobicContact CD2-CG2 4.36Å; L1774-V1778 WeakPolarHBondContact O-CG2 3.3Å; L1774-V1778 PolarHBondContact O-N 3.27Å; L1774-R1922 HydrophobicContact CD2-CB 4.04Å; L1774-R1922 HydrophobicContact CD2-CG 4.36Å; L1774-I1924 HydrophobicContact CD1-CD1 3.94Å; L1774-I1924 HydrophobicContact CD2-CD1 3.85Å; L1774-I1924 HydrophobicContact CD2-CG1 4.24Å; L1774-I1924 HydrophobicContact CG-CD1 3.75Å
1775	L	85.5	Confident	81.4	Confident	25.2 Å²	25.2	56.5 Å²	56.5	13%	0.132	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-47.5	175.8	-179.5	61.7	0	0	0	111.6	F1720 R1771 V1772 R1777 V1778 I1779 T1857	F1720-L1775 HydrophobicContact CB-CD1 3.83Å; F1720-L1775 HydrophobicContact CD2-CD1 4Å; F1720-L1775 HydrophobicContact CG-CD1 4.15Å; R1771-L1775 VanDerWaalsContact O-CB 3.31Å; R1771-L1775 WeakPolarHBondContact O-CB 3.41Å; R1771-L1775 PolarHBondContact O-N 3.24Å; V1772-L1775 PolarHBondContact O-N 3.23Å; L1775-R1777 VanDerWaalsContact C-N 3.3Å; L1775-R1777 PolarHBondContact O-N 3.09Å; L1775-V1778 PolarHBondContact O-N 3.18Å; L1775-V1778 VanDerWaalsContact O-N 3.14Å; L1775-I1779 HydrophobicContact CD1-CD1 3.94Å; L1775-I1779 HydrophobicContact CD1-CG1 4.19Å; L1775-I1779 HydrophobicContact CD2-CD1 4.46Å; L1775-I1779 HydrophobicContact CG-CD1 3.79Å; L1775-I1779 HydrophobicContact CG-CG1 4.4Å; L1775-I1779 WeakPolarHBondContact O-CB 3.09Å; L1775-I1779 VanDerWaalsContact O-CG1 3.31Å; L1775-I1779 WeakPolarHBondContact O-CG1 3.31Å; L1775-I1779 PolarHBondContact O-N 3.16Å; L1775-T1857 HydrophobicContact CD2-CG2 4.39Å
1776	N	86.1	Confident	81.8	Confident	77.8 Å²	77.8	52.2 Å²	52.2	42%	0.416	26%	0.26	S	S	.	.	H	α-helix	trans	-60.4	-37	176.8	-74.7	-12.8	0	0	0	112.2	V1772 R1773 L1774 I1779 H1780	V1772-N1776 WeakPolarHBondContact O-CB 3.4Å; V1772-N1776 VanDerWaalsContact O-CG 3.29Å; V1772-N1776 PolarHBondContact O-N 3.24Å; V1772-N1776 PolarHBondContact O-ND2 2.68Å; V1772-N1776 PolarHBondContact O-OD1 3.26Å; R1773-N1776 PolarHBondContact O-N 2.91Å; L1774-N1776 PolarHBondContact O-N 3.09Å; N1776-I1779 PolarHBondContact O-N 2.96Å; N1776-H1780 WeakPolarHBondContact O-CB 3.29Å; N1776-H1780 PolarHBondContact O-N 3.19Å
1777	R	84	Confident	81.7	Confident	113.2 Å²	113.2	53.6 Å²	53.6	43%	0.427	26%	0.264	S	S	.	.	H	α-helix	trans	-65.6	-40.8	174.8	-171.7	176.9	-174.3	164.9	4	112.3	R1773 L1774 L1775 H1780 L1781 N1823 F1827	R1773-R1777 WeakPolarHBondContact O-CB 3.41Å; R1773-R1777 PolarHBondContact O-N 2.93Å; R1773-R1777 VanDerWaalsContact O-N 3.1Å; L1774-R1777 WeakPolarHBondContact O-CB 3.21Å; L1774-R1777 PolarHBondContact O-N 3.22Å; L1774-R1777 VanDerWaalsContact O-N 3.14Å; L1775-R1777 VanDerWaalsContact C-N 3.3Å; L1775-R1777 PolarHBondContact O-N 3.09Å; R1777-H1780 PolarHBondContact O-N 3.35Å; R1777-L1781 HydrophobicContact CG-CD1 4.39Å; R1777-L1781 WeakPolarHBondContact O-CG 3.3Å; R1777-L1781 PolarHBondContact O-N 3.14Å; R1777-L1781 VanDerWaalsContact O-N 3.1Å; R1777-N1823 PolarHBondContact NH1-OD1 3.05Å; R1777-N1823 PolarHBondContact NH2-O 3.25Å; R1777-N1823 PolarHBondContact NH2-OD1 3.17Å; R1777-N1823 VanDerWaalsContact NH2-OD1 3.07Å; R1777-F1827 HydrophobicContact CG-CE1 4.34Å
1778	V	85.2	Confident	81.1	Confident	1.8 Å²	1.8	52.2 Å²	52.2	1%	0.011	27%	0.267	C	S	.	.	H	α-helix	trans	-66.8	-47.7	174.8	175.1	0	0	0	0	110.8	F1720 L1774 L1775 H1780 L1781 V1782 I1906 I1924	F1720-V1778 HydrophobicContact CD1-CG1 3.84Å; F1720-V1778 HydrophobicContact CE1-CG1 3.51Å; F1720-V1778 VanDerWaalsContact CE1-CG1 3.48Å; F1720-V1778 HydrophobicContact CE2-CG1 4.45Å; F1720-V1778 HydrophobicContact CG-CG1 4.48Å; F1720-V1778 HydrophobicContact CZ-CG1 3.92Å; L1774-V1778 HydrophobicContact CD2-CG2 4.36Å; L1774-V1778 WeakPolarHBondContact O-CG2 3.3Å; L1774-V1778 PolarHBondContact O-N 3.27Å; L1775-V1778 PolarHBondContact O-N 3.18Å; L1775-V1778 VanDerWaalsContact O-N 3.14Å; V1778-H1780 VanDerWaalsContact C-N 3.31Å; V1778-H1780 PolarHBondContact O-N 3.05Å; V1778-L1781 WeakPolarHBondContact O-CB 3.38Å; V1778-L1781 PolarHBondContact O-N 3.13Å; V1778-L1781 VanDerWaalsContact O-N 3.11Å; V1778-V1782 HydrophobicContact CG1-CG2 4.33Å; V1778-V1782 WeakPolarHBondContact O-CG2 3.35Å; V1778-V1782 PolarHBondContact O-N 3.32Å; V1778-I1906 HydrophobicContact CG2-CD1 4.01Å; V1778-I1924 HydrophobicContact CG2-CD1 3.57Å
1779	I	85.7	Confident	79.8	Confident	22.2 Å²	22.2	55.5 Å²	55.5	11%	0.114	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-42.7	179.1	-67.9	173.5	0	0	0	110.6	F1720 L1775 N1776 L1781 V1782 D1783 K1851 V1859	F1720-I1779 HydrophobicContact CD2-CG1 4.48Å; F1720-I1779 HydrophobicContact CE2-CG1 4.26Å; L1775-I1779 HydrophobicContact CD1-CD1 3.94Å; L1775-I1779 HydrophobicContact CD1-CG1 4.19Å; L1775-I1779 HydrophobicContact CD2-CD1 4.46Å; L1775-I1779 HydrophobicContact CG-CD1 3.79Å; L1775-I1779 HydrophobicContact CG-CG1 4.4Å; L1775-I1779 WeakPolarHBondContact O-CB 3.09Å; L1775-I1779 VanDerWaalsContact O-CG1 3.31Å; L1775-I1779 WeakPolarHBondContact O-CG1 3.31Å; L1775-I1779 PolarHBondContact O-N 3.16Å; N1776-I1779 PolarHBondContact O-N 2.96Å; I1779-L1781 VanDerWaalsContact C-N 3.34Å; I1779-L1781 PolarHBondContact O-N 3.03Å; I1779-V1782 CarbonylContact O-C 3.59Å; I1779-V1782 PolarHBondContact O-N 3.2Å; I1779-V1782 VanDerWaalsContact O-N 3.1Å; I1779-D1783 WeakPolarHBondContact CG2-OD2 3.45Å; I1779-D1783 WeakPolarHBondContact O-CB 3.38Å; I1779-D1783 VanDerWaalsContact O-CG 3.27Å; I1779-D1783 PolarHBondContact O-N 3.03Å; I1779-K1851 VanDerWaalsContact CG2-NZ 3.31Å; I1779-V1859 HydrophobicContact CD1-CG2 3.69Å; I1779-V1859 HydrophobicContact CG1-CG2 3.89Å; I1779-V1859 HydrophobicContact CG2-CG2 4.4Å
1780	H	85.4	Confident	78	Confident	106.8 Å²	106.8	57.9 Å²	57.9	49%	0.494	29%	0.286	S	S	.	.	H	α-helix	trans	-61	-40.3	175.5	-175.9	-66.1	0	0	0	112.9	N1776 R1777 V1778 S1784 F1827	N1776-H1780 WeakPolarHBondContact O-CB 3.29Å; N1776-H1780 PolarHBondContact O-N 3.19Å; R1777-H1780 PolarHBondContact O-N 3.35Å; V1778-H1780 VanDerWaalsContact C-N 3.31Å; V1778-H1780 PolarHBondContact O-N 3.05Å; H1780-S1784 PolarHBondContact ND1-OG 2.92Å; H1780-S1784 WeakPolarHBondContact O-CB 3.32Å; H1780-S1784 PolarHBondContact O-N 3.2Å; H1780-S1784 PolarHBondContact O-OG 3.17Å; H1780-F1827 AromaticContact CE1-CZ 3.99Å; H1780-F1827 AromaticContact ND1-CZ 3.93Å
1781	L	84	Confident	76.1	Confident	20.4 Å²	20.4	63 Å²	63	11%	0.107	31%	0.305	C	S	.	.	H	α-helix	trans	-65.1	-41.1	175.5	-77.2	166.4	0	0	0	111.7	R1777 V1778 I1779 S1784 L1785 F1827 I1902 I1906	R1777-L1781 HydrophobicContact CG-CD1 4.39Å; R1777-L1781 WeakPolarHBondContact O-CG 3.3Å; R1777-L1781 PolarHBondContact O-N 3.14Å; R1777-L1781 VanDerWaalsContact O-N 3.1Å; V1778-L1781 WeakPolarHBondContact O-CB 3.38Å; V1778-L1781 PolarHBondContact O-N 3.13Å; V1778-L1781 VanDerWaalsContact O-N 3.11Å; I1779-L1781 VanDerWaalsContact C-N 3.34Å; I1779-L1781 PolarHBondContact O-N 3.03Å; L1781-S1784 WeakPolarHBondContact O-CB 3.26Å; L1781-S1784 PolarHBondContact O-N 3.13Å; L1781-L1785 PolarHBondContact O-N 3.25Å; L1781-L1785 VanDerWaalsContact O-N 3.09Å; L1781-F1827 HydrophobicContact CD1-CD1 3.93Å; L1781-F1827 HydrophobicContact CD1-CE1 3.84Å; L1781-F1827 HydrophobicContact CD1-CE2 4.05Å; L1781-F1827 HydrophobicContact CD1-CZ 4.49Å; L1781-F1827 HydrophobicContact CD2-CD2 4.32Å; L1781-F1827 HydrophobicContact CD2-CE1 4.31Å; L1781-F1827 HydrophobicContact CD2-CE2 3.5Å; L1781-F1827 VanDerWaalsContact CD2-CE2 3.47Å; L1781-F1827 HydrophobicContact CD2-CZ 3.57Å; L1781-F1827 VanDerWaalsContact CD2-CZ 3.43Å; L1781-F1827 HydrophobicContact CG-CE2 3.85Å; L1781-F1827 HydrophobicContact CG-CZ 3.82Å; L1781-I1902 HydrophobicContact CB-CG2 4.25Å; L1781-I1902 HydrophobicContact CD1-CG2 4.02Å; L1781-I1902 HydrophobicContact CD2-CD1 4.4Å; L1781-I1906 HydrophobicContact CD1-CD1 3.93Å
1782	V	86.5	Confident	74.1	Confident	0.2 Å²	0.2	68.2 Å²	68.2	0%	0.001	33%	0.332	C	S	.	.	H	α-helix	trans	-71.5	-37.6	178.9	179.3	0	0	0	0	111.9	I1718 F1720 V1778 I1779 S1784 L1785 A1786 Y1861 F1895 V1899	I1718-V1782 HydrophobicContact CD1-CG1 4.44Å; F1720-V1782 HydrophobicContact CZ-CG2 4.08Å; V1778-V1782 HydrophobicContact CG1-CG2 4.33Å; V1778-V1782 WeakPolarHBondContact O-CG2 3.35Å; V1778-V1782 PolarHBondContact O-N 3.32Å; I1779-V1782 CarbonylContact O-C 3.59Å; I1779-V1782 PolarHBondContact O-N 3.2Å; I1779-V1782 VanDerWaalsContact O-N 3.1Å; V1782-S1784 VanDerWaalsContact C-N 3.3Å; V1782-S1784 PolarHBondContact O-N 2.99Å; V1782-L1785 WeakPolarHBondContact O-CB 3.42Å; V1782-L1785 PolarHBondContact O-N 3.17Å; V1782-L1785 VanDerWaalsContact O-N 3.15Å; V1782-A1786 WeakPolarHBondContact O-CB 3.38Å; V1782-A1786 PolarHBondContact O-N 3.12Å; V1782-A1786 VanDerWaalsContact O-N 3.08Å; V1782-Y1861 HydrophobicContact CG1-CD2 4.48Å; V1782-Y1861 HydrophobicContact CG1-CE2 3.61Å; V1782-Y1861 WeakPolarHBondContact CG1-OH 3.38Å; V1782-F1895 HydrophobicContact CG1-CE1 4.48Å; V1782-F1895 HydrophobicContact CG1-CE2 4.01Å; V1782-F1895 HydrophobicContact CG1-CZ 3.54Å; V1782-V1899 HydrophobicContact CB-CG2 4.41Å; V1782-V1899 HydrophobicContact CG1-CG2 3.68Å; V1782-V1899 HydrophobicContact CG2-CB 4.49Å; V1782-V1899 HydrophobicContact CG2-CG1 3.88Å; V1782-V1899 HydrophobicContact CG2-CG2 3.97Å
1783	D	85	Confident	71.6	Confident	34.6 Å²	34.6	71.3 Å²	71.3	19%	0.185	35%	0.352	C	S	.	.	H	α-helix	trans	-61.7	-38.7	170	-72.5	-30.2	0	0	0	111.4	I1779 L1785 A1786 L1787 K1851 Y1861	I1779-D1783 WeakPolarHBondContact CG2-OD2 3.45Å; I1779-D1783 WeakPolarHBondContact O-CB 3.38Å; I1779-D1783 VanDerWaalsContact O-CG 3.27Å; I1779-D1783 PolarHBondContact O-N 3.03Å; D1783-L1785 VanDerWaalsContact C-N 3.34Å; D1783-L1785 PolarHBondContact O-N 3.02Å; D1783-A1786 PolarHBondContact O-N 3.17Å; D1783-A1786 VanDerWaalsContact O-N 3.12Å; D1783-L1787 WeakPolarHBondContact O-CG 3.33Å; D1783-L1787 PolarHBondContact O-N 3.24Å; D1783-L1787 VanDerWaalsContact O-N 3.09Å; D1783-K1851 VanDerWaalsContact OD1-CD 3.3Å; D1783-K1851 WeakPolarHBondContact OD1-CD 3.33Å; D1783-K1851 VanDerWaalsContact OD1-CE 3.25Å; D1783-K1851 WeakPolarHBondContact OD1-CE 3.4Å; D1783-K1851 IonicContact OD1-NZ 3.49Å; D1783-K1851 PolarHBondContact OD1-NZ 3.24Å; D1783-K1851 IonicContact OD2-NZ 3.24Å; D1783-K1851 PolarHBondContact OD2-NZ 3.21Å; D1783-Y1861 WeakPolarHBondContact OD1-CE1 3.35Å; D1783-Y1861 PolarHBondContact OD1-OH 3.08Å; D1783-Y1861 VanDerWaalsContact OD1-OH 3.14Å
1784	S	82.8	Confident	69.1	Low	34.4 Å²	34.4	67.2 Å²	67.2	24%	0.241	36%	0.358	C	S	.	.	H	α-helix	trans	-64.8	-37.1	176.4	-56.6	0	0	0	0	112.1	H1780 L1781 V1782 G1788 Q1789	H1780-S1784 PolarHBondContact ND1-OG 2.92Å; H1780-S1784 WeakPolarHBondContact O-CB 3.32Å; H1780-S1784 PolarHBondContact O-N 3.2Å; H1780-S1784 PolarHBondContact O-OG 3.17Å; L1781-S1784 WeakPolarHBondContact O-CB 3.26Å; L1781-S1784 PolarHBondContact O-N 3.13Å; V1782-S1784 VanDerWaalsContact C-N 3.3Å; V1782-S1784 PolarHBondContact O-N 2.99Å; S1784-G1788 WeakPolarHBondContact O-CA 3.27Å; S1784-G1788 PolarHBondContact O-N 3.3Å; S1784-Q1789 PolarHBondContact O-N 3.19Å
1785	L	81.7	Confident	66.8	Low	31.2 Å²	31.2	69.8 Å²	69.8	16%	0.163	39%	0.385	C	S	.	.	H	α-helix	trans	-65.6	-43.7	170.7	-73	-179.8	0	0	0	112.1	L1781 V1782 D1783 L1787 G1788 F1895 R1898 V1899 I1902	L1781-L1785 PolarHBondContact O-N 3.25Å; L1781-L1785 VanDerWaalsContact O-N 3.09Å; V1782-L1785 WeakPolarHBondContact O-CB 3.42Å; V1782-L1785 PolarHBondContact O-N 3.17Å; V1782-L1785 VanDerWaalsContact O-N 3.15Å; D1783-L1785 VanDerWaalsContact C-N 3.34Å; D1783-L1785 PolarHBondContact O-N 3.02Å; L1785-L1787 VanDerWaalsContact C-N 3.31Å; L1785-L1787 PolarHBondContact O-N 3.25Å; L1785-G1788 PolarHBondContact O-N 3.32Å; L1785-G1788 VanDerWaalsContact O-N 3.12Å; L1785-F1895 HydrophobicContact CB-CD2 4.29Å; L1785-F1895 HydrophobicContact CB-CE2 4.01Å; L1785-R1898 HydrophobicContact CD1-CB 3.84Å; L1785-R1898 HydrophobicContact CD2-CB 4.29Å; L1785-V1899 HydrophobicContact CD1-CG2 3.94Å; L1785-I1902 HydrophobicContact CD1-CD1 3.65Å; L1785-I1902 HydrophobicContact CD1-CG1 4.38Å; L1785-I1902 HydrophobicContact CD2-CD1 4.06Å; L1785-I1902 HydrophobicContact CG-CD1 3.9Å
1786	A	80.3	Confident	64.3	Low	5.6 Å²	5.6	75.1 Å²	75.1	5%	0.046	42%	0.418	C	S	.	.	H	α-helix	trans	-66.2	-31	-176.7	0	0	0	0	0	113.1	V1782 D1783 G1788 L1847 L1849 Y1861 F1895	V1782-A1786 WeakPolarHBondContact O-CB 3.38Å; V1782-A1786 PolarHBondContact O-N 3.12Å; V1782-A1786 VanDerWaalsContact O-N 3.08Å; D1783-A1786 PolarHBondContact O-N 3.17Å; D1783-A1786 VanDerWaalsContact O-N 3.12Å; A1786-G1788 VanDerWaalsContact C-N 3.32Å; A1786-L1847 CarbonylContact O-C 3.51Å; A1786-L1849 HydrophobicContact CB-CB 3.98Å; A1786-L1849 PolarHBondContact O-N 3Å; A1786-Y1861 HydrophobicContact CB-CD1 3.8Å; A1786-Y1861 HydrophobicContact CB-CE1 3.75Å; A1786-F1895 HydrophobicContact CB-CE2 3.81Å; A1786-F1895 HydrophobicContact CB-CZ 4.1Å
1787	L	71.7	Confident	62	Low	102.6 Å²	102.6	78.8 Å²	78.8	54%	0.537	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-8.8	176.2	-69.2	168.7	0	0	0	113.9	D1783 L1785 Q1789 Q1790 L1847	D1783-L1787 WeakPolarHBondContact O-CG 3.33Å; D1783-L1787 PolarHBondContact O-N 3.24Å; D1783-L1787 VanDerWaalsContact O-N 3.09Å; L1785-L1787 VanDerWaalsContact C-N 3.31Å; L1785-L1787 PolarHBondContact O-N 3.25Å; L1787-Q1789 VanDerWaalsContact C-N 3.27Å; L1787-Q1789 HydrophobicContact CB-CG 4.2Å; L1787-Q1789 PolarHBondContact O-N 2.98Å; L1787-Q1789 VanDerWaalsContact O-N 3.14Å; L1787-Q1790 PolarHBondContact O-N 3.29Å; L1787-L1847 CarbonylContact C-O 3.58Å
1788	G	61.4	Low	59.7	Low	34.6 Å²	34.6	80.4 Å²	80.4	36%	0.357	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	11	-175.9	0	0	0	0	0	115.1	S1784 L1785 A1786 Q1790 L1847	S1784-G1788 WeakPolarHBondContact O-CA 3.27Å; S1784-G1788 PolarHBondContact O-N 3.3Å; L1785-G1788 PolarHBondContact O-N 3.32Å; L1785-G1788 VanDerWaalsContact O-N 3.12Å; A1786-G1788 VanDerWaalsContact C-N 3.32Å; G1788-Q1790 VanDerWaalsContact C-N 3.25Å; G1788-Q1790 PolarHBondContact O-N 3.27Å; G1788-L1847 WeakPolarHBondContact CA-O 3.5Å; G1788-L1847 PolarHBondContact N-O 3.15Å
1789	Q	50	Low	57.5	Low	129.4 Å²	129.4	86.7 Å²	86.7	61%	0.605	49%	0.493	S	S	*	.			trans	-81	43.4	-177.8	-68.3	-164.6	0.6	0	0	113.3	S1784 L1787 K1791	S1784-Q1789 PolarHBondContact O-N 3.19Å; L1787-Q1789 VanDerWaalsContact C-N 3.27Å; L1787-Q1789 HydrophobicContact CB-CG 4.2Å; L1787-Q1789 PolarHBondContact O-N 2.98Å; L1787-Q1789 VanDerWaalsContact O-N 3.14Å; Q1789-K1791 PolarHBondContact O-N 3.29Å; Q1789-K1791 VanDerWaalsContact O-N 3.12Å
1790	Q	41.7	Very low	55	Low	85.2 Å²	85.2	91.5 Å²	91.5	40%	0.398	53%	0.525	S	S	.	.			trans	-75.1	89.8	168.7	-151.5	170.6	2.9	0	0	109.4	L1787 G1788 Q1792 S1834	L1787-Q1790 PolarHBondContact O-N 3.29Å; G1788-Q1790 VanDerWaalsContact C-N 3.25Å; G1788-Q1790 PolarHBondContact O-N 3.27Å; Q1790-Q1792 PolarHBondContact O-N 3.14Å; Q1790-S1834 PolarHBondContact NE2-OG 3.37Å
1791	K	37.3	Very low	52.6	Low	175 Å²	175	89.9 Å²	89.9	76%	0.761	54%	0.537	S	S	*	.			trans	-64.7	89.8	-177.5	-89.6	-173.8	174.7	-179.2	0	111.8	Q1789 T1793	Q1789-K1791 PolarHBondContact O-N 3.29Å; Q1789-K1791 VanDerWaalsContact O-N 3.12Å; K1791-T1793 HydrophobicContact CB-CG2 4.28Å; K1791-T1793 HydrophobicContact CD-CG2 4.37Å; K1791-T1793 HydrophobicContact CG-CG2 4.38Å; K1791-T1793 PolarHBondContact O-N 3.11Å
1792	Q	34.9	Very low	50.3	Low	178 Å²	178	98 Å²	98	83%	0.832	58%	0.575	S	S	*	*			trans	-80.7	53.9	170.1	-74.5	-176.2	-21.8	0	0	111.5	Q1790 G1794	Q1790-Q1792 PolarHBondContact O-N 3.14Å; Q1792-G1794 PolarHBondContact O-N 3.26Å; Q1792-G1794 VanDerWaalsContact O-N 3.1Å
1793	T	30.1	Very low	47.9	Very low	123.4 Å²	123.4	105 Å²	105	76%	0.757	61%	0.612	S	S	*	*			trans	-95.6	79.5	170.7	50.8	0	0	0	0	109.3	K1791	K1791-T1793 HydrophobicContact CB-CG2 4.28Å; K1791-T1793 HydrophobicContact CD-CG2 4.37Å; K1791-T1793 HydrophobicContact CG-CG2 4.38Å; K1791-T1793 PolarHBondContact O-N 3.11Å
1794	G	29.6	Very low	45.7	Very low	69.8 Å²	69.8	109.6 Å²	109.6	72%	0.72	64%	0.642	S	S	*	*			trans	177.6	83.3	179.2	0	0	0	0	0	114	Q1792	Q1792-G1794 PolarHBondContact O-N 3.26Å; Q1792-G1794 VanDerWaalsContact O-N 3.1Å
1795	A	32.8	Very low	43.5	Very low	94.8 Å²	94.8	115.3 Å²	115.3	78%	0.783	67%	0.667	S	S	*	*			trans	80.1	97.7	162.6	0	0	0	0	0	115.1	L1797	A1795-L1797 VanDerWaalsContact C-N 3.35Å
1796	T	33.6	Very low	41.3	Very low	135.4 Å²	135.4	119.9 Å²	119.9	83%	0.831	69%	0.691	S	S	*	*			trans	-82.6	119.2	131.3	30.6	0	0	0	0	110.2
1797	L	38.5	Very low	39.3	Very low	155.6 Å²	155.6	128.2 Å²	128.2	82%	0.815	73%	0.729	S	S	*	*			trans	-117	129.3	162.3	-147.9	93.7	0	0	0	108.9	A1795 V1799	A1795-L1797 VanDerWaalsContact C-N 3.35Å; L1797-V1799 PolarHBondContact O-N 3.47Å
1798	D	35.6	Very low	37.6	Very low	146.4 Å²	146.4	133.7 Å²	133.7	78%	0.783	74%	0.743	S	S	*	*			trans	-83.5	111.2	177.3	-58.6	-61.8	0	0	0	112.9
1799	V	39.9	Very low	36.4	Very low	135.2 Å²	135.2	140.2 Å²	140.2	82%	0.819	76%	0.764	S	S	*	*			trans	-137.3	121.2	158.9	-179.1	0	0	0	0	107.5	L1797	L1797-V1799 PolarHBondContact O-N 3.47Å
1800	P	32.8	Very low	35.9	Very low	122.6 Å²	122.6	138.8 Å²	138.8	80%	0.796	77%	0.768	S	S	*	*			trans	-105.2	152.9	166.8	29.6	-20.4	0	0	0	114.1
1801	G	35.2	Very low	35.9	Very low	72.6 Å²	72.6	141.5 Å²	141.5	75%	0.748	79%	0.785	S	S	*	*			trans	106.2	128.2	161.7	0	0	0	0	0	115.1
1802	E	35.4	Very low	36.1	Very low	190.6 Å²	190.6	139.8 Å²	139.8	89%	0.891	78%	0.784	S	S	*	*			cis	-142.6	159.8	40.3	-99.6	-173.8	134.8	0	0	110.9
1803	N	34.7	Very low	36.3	Very low	147.8 Å²	147.8	136.8 Å²	136.8	79%	0.79	78%	0.783	S	S	*	*			trans	-103.6	133.3	177.9	-54	-53.9	0	0	0	113.1
1804	T	40	Very low	36.7	Very low	131 Å²	131	136.6 Å²	136.6	80%	0.804	78%	0.777	S	S	*	*			trans	-160.1	139.1	135.9	4.4	0	0	0	0	112.7
1805	M	36.9	Very low	37.3	Very low	155 Å²	155	139.7 Å²	139.7	76%	0.764	78%	0.783	S	S	*	*			trans	25.3	118.1	155.7	-53.3	-52.3	-179.3	0	0	119.1
1806	N	35.2	Very low	37.5	Very low	127 Å²	127	143.4 Å²	143.4	68%	0.679	79%	0.789	S	S	*	*				75.6	97.7	67.3	-66.9	-30.3	0	0	0	115.7
1807	E	37.4	Very low	38	Very low	180.6 Å²	180.6	143.1 Å²	143.1	84%	0.844	78%	0.782	S	S	*	*				-148.3	136.9	129.3	-93	171.5	178.3	0	0	107.7
1808	R	35.9	Very low	38.2	Very low	218.6 Å²	218.6	142 Å²	142	83%	0.825	77%	0.77	S	S	*	*			cis	82.3	70.4	46.5	-70.7	-156	-173.3	110.4	-4.5	115.9
1809	E	37.2	Very low	38.4	Very low	171.2 Å²	171.2	141.2 Å²	141.2	80%	0.8	77%	0.766	S	S	*	*			trans	-139.9	143.7	144	-116.5	159.6	-163.9	0	0	107.5
1810	S	39.2	Very low	38.5	Very low	98.4 Å²	98.4	137.6 Å²	137.6	69%	0.688	75%	0.75	S	S	*	*			cis	106.2	89.2	7.4	-162.6	0	0	0	0	113.6
1811	D	40.8	Very low	38.9	Very low	141.6 Å²	141.6	138.7 Å²	138.7	76%	0.757	74%	0.743	S	S	*	*				-145	146.9	124.2	-104.4	-28.6	0	0	0	116.2	S1813	D1811-S1813 PolarHBondContact O-N 2.87Å
1812	N	42.3	Very low	39.5	Very low	139.6 Å²	139.6	139.5 Å²	139.5	75%	0.747	73%	0.73	S	S	*	*			trans	-41.6	101.5	175.5	-64.2	-71.8	0	0	0	117.6
1813	S	38.5	Very low	40	Very low	114.8 Å²	114.8	134 Å²	134	80%	0.803	71%	0.706	S	S	*	*			trans	-138.6	74	155.4	60.3	0	0	0	0	112.2	D1811 T1815	D1811-S1813 PolarHBondContact O-N 2.87Å; S1813-T1815 PolarHBondContact O-N 3.49Å
1814	N	39.1	Very low	40.6	Very low	119.8 Å²	119.8	133.4 Å²	133.4	64%	0.641	70%	0.699	S	S	*	*			trans	-113.6	89.3	-171.3	-92.9	-52.4	0	0	0	114.7	L1816 K1818	N1814-L1816 VanDerWaalsContact C-N 3.26Å; N1814-L1816 PolarHBondContact O-N 3.32Å; N1814-K1818 WeakPolarHBondContact OD1-CE 3.34Å
1815	T	42.1	Very low	40.9	Very low	135.4 Å²	135.4	134.6 Å²	134.6	83%	0.831	69%	0.693	S	S	*	*	S	Bend	trans	-137.3	-0.8	171.7	12.6	0	0	0	0	118.5	S1813	S1813-T1815 PolarHBondContact O-N 3.49Å
1816	L	38	Very low	41.3	Very low	173 Å²	173	130.9 Å²	130.9	91%	0.906	68%	0.676	S	S	*	*	S	Bend	trans	-129	5.5	177.2	-146.5	72.1	0	0	0	116.5	N1814	N1814-L1816 VanDerWaalsContact C-N 3.26Å; N1814-L1816 PolarHBondContact O-N 3.32Å
1817	N	42.8	Very low	41.6	Very low	127.6 Å²	127.6	127.2 Å²	127.2	68%	0.682	65%	0.654	S	S	*	*			trans	-131	22.4	-175.6	-138.9	-15.5	0	0	0	115.9
1818	K	42.6	Very low	42.2	Very low	132.6 Å²	132.6	121.5 Å²	121.5	58%	0.577	63%	0.634	S	S	*	*	H	α-helix	trans	-73.2	-45.8	175.7	-78.2	-176.7	175.3	175.5	0	112.7	N1814 A1820 K1821 D1822	N1814-K1818 WeakPolarHBondContact OD1-CE 3.34Å; K1818-A1820 VanDerWaalsContact C-N 3.28Å; K1818-A1820 PolarHBondContact O-N 3.02Å; K1818-K1821 WeakPolarHBondContact O-CA 3.42Å; K1818-K1821 PolarHBondContact O-N 3.2Å; K1818-K1821 VanDerWaalsContact O-N 3.1Å; K1818-D1822 VanDerWaalsContact C-OD2 3.29Å; K1818-D1822 WeakPolarHBondContact CB-OD2 3.47Å; K1818-D1822 WeakPolarHBondContact O-CB 3.06Å; K1818-D1822 VanDerWaalsContact O-CG 3.25Å; K1818-D1822 PolarHBondContact O-N 3.03Å
1819	N	40.6	Very low	43	Very low	130 Å²	130	113.3 Å²	113.3	70%	0.695	61%	0.61	S	S	*	*	H	α-helix	trans	-57.2	-28.5	-172.3	-58.5	7.2	0	0	0	114.4	N1823	N1819-N1823 WeakPolarHBondContact O-CB 3.46Å; N1819-N1823 PolarHBondContact O-N 3.31Å; N1819-N1823 PolarHBondContact O-ND2 3.05Å
1820	A	40.9	Very low	43.5	Very low	59.2 Å²	59.2	106.2 Å²	106.2	49%	0.489	58%	0.578	S	S	.	*	H	α-helix	trans	-72.7	-47.1	174.4	0	0	0	0	0	112	K1818 D1822 N1823 E1824	K1818-A1820 VanDerWaalsContact C-N 3.28Å; K1818-A1820 PolarHBondContact O-N 3.02Å; A1820-D1822 VanDerWaalsContact C-N 3.32Å; A1820-D1822 PolarHBondContact O-N 3.2Å; A1820-N1823 WeakPolarHBondContact O-CA 3.39Å; A1820-N1823 VanDerWaalsContact O-CB 3.31Å; A1820-N1823 WeakPolarHBondContact O-CB 3.37Å; A1820-N1823 PolarHBondContact O-N 3.27Å; A1820-E1824 PolarHBondContact O-N 3.25Å; A1820-E1824 VanDerWaalsContact O-N 3.17Å
1821	K	42.7	Very low	43.9	Very low	147 Å²	147	104.4 Å²	104.4	64%	0.639	56%	0.56	S	S	*	*	H	α-helix	trans	-68.6	-33.3	-177.7	-119.7	170.8	-177.6	171.4	0	112.8	K1818 N1823 E1824 K1825	K1818-K1821 WeakPolarHBondContact O-CA 3.42Å; K1818-K1821 PolarHBondContact O-N 3.2Å; K1818-K1821 VanDerWaalsContact O-N 3.1Å; K1821-N1823 VanDerWaalsContact C-N 3.32Å; K1821-N1823 PolarHBondContact O-N 3.13Å; K1821-E1824 PolarHBondContact O-N 3.09Å; K1821-E1824 VanDerWaalsContact O-N 3.16Å; K1821-K1825 WeakPolarHBondContact O-CB 3.36Å; K1821-K1825 WeakPolarHBondContact O-CG 3.29Å; K1821-K1825 PolarHBondContact O-N 3.13Å; K1821-K1825 VanDerWaalsContact O-N 3.11Å
1822	D	46.6	Very low	44.2	Very low	87.8 Å²	87.8	100.8 Å²	100.8	47%	0.47	55%	0.546	S	S	.	.	H	α-helix	trans	-67.1	-35.7	175	-64.9	-35.5	0	0	0	111.7	K1818 A1820 E1824 K1825 L1826	K1818-D1822 VanDerWaalsContact C-OD2 3.29Å; K1818-D1822 WeakPolarHBondContact CB-OD2 3.47Å; K1818-D1822 WeakPolarHBondContact O-CB 3.06Å; K1818-D1822 VanDerWaalsContact O-CG 3.25Å; K1818-D1822 PolarHBondContact O-N 3.03Å; A1820-D1822 VanDerWaalsContact C-N 3.32Å; A1820-D1822 PolarHBondContact O-N 3.2Å; D1822-E1824 VanDerWaalsContact C-N 3.25Å; D1822-E1824 PolarHBondContact O-N 2.85Å; D1822-K1825 PolarHBondContact O-N 3.07Å; D1822-L1826 VanDerWaalsContact O-CB 3.25Å; D1822-L1826 WeakPolarHBondContact O-CB 3.31Å; D1822-L1826 VanDerWaalsContact O-CG 3.26Å; D1822-L1826 WeakPolarHBondContact O-CG 3.46Å; D1822-L1826 PolarHBondContact O-N 2.96Å
1823	N	47.3	Very low	44.4	Very low	75 Å²	75	97.5 Å²	97.5	40%	0.401	53%	0.534	S	S	.	.	H	α-helix	trans	-63.5	-38.9	174.6	-91.7	-72	0	0	0	112.8	R1777 N1819 A1820 K1821 L1826 F1827	R1777-N1823 PolarHBondContact NH1-OD1 3.05Å; R1777-N1823 PolarHBondContact NH2-O 3.25Å; R1777-N1823 PolarHBondContact NH2-OD1 3.17Å; R1777-N1823 VanDerWaalsContact NH2-OD1 3.07Å; N1819-N1823 WeakPolarHBondContact O-CB 3.46Å; N1819-N1823 PolarHBondContact O-N 3.31Å; N1819-N1823 PolarHBondContact O-ND2 3.05Å; A1820-N1823 WeakPolarHBondContact O-CA 3.39Å; A1820-N1823 VanDerWaalsContact O-CB 3.31Å; A1820-N1823 WeakPolarHBondContact O-CB 3.37Å; A1820-N1823 PolarHBondContact O-N 3.27Å; K1821-N1823 VanDerWaalsContact C-N 3.32Å; K1821-N1823 PolarHBondContact O-N 3.13Å; N1823-L1826 PolarHBondContact O-N 3.09Å; N1823-F1827 VanDerWaalsContact O-CB 3.25Å; N1823-F1827 WeakPolarHBondContact O-CB 3.38Å; N1823-F1827 WeakPolarHBondContact O-CD2 3.49Å; N1823-F1827 PolarHBondContact O-N 3.21Å
1824	E	47	Very low	44.7	Very low	137 Å²	137	95.4 Å²	95.4	64%	0.64	52%	0.519	S	S	*	.	H	α-helix	trans	-73	-39.4	177.2	-131.5	-175.2	173	0	0	112.3	A1820 K1821 D1822 L1826 F1827 S1828	A1820-E1824 PolarHBondContact O-N 3.25Å; A1820-E1824 VanDerWaalsContact O-N 3.17Å; K1821-E1824 PolarHBondContact O-N 3.09Å; K1821-E1824 VanDerWaalsContact O-N 3.16Å; D1822-E1824 VanDerWaalsContact C-N 3.25Å; D1822-E1824 PolarHBondContact O-N 2.85Å; E1824-L1826 VanDerWaalsContact C-N 3.31Å; E1824-L1826 PolarHBondContact O-N 3.13Å; E1824-F1827 WeakPolarHBondContact O-CB 3.42Å; E1824-F1827 PolarHBondContact O-N 2.98Å; E1824-F1827 VanDerWaalsContact O-N 3.16Å; E1824-S1828 WeakPolarHBondContact O-CB 3.3Å; E1824-S1828 PolarHBondContact O-N 3.23Å; E1824-S1828 PolarHBondContact O-OG 3.25Å
1825	K	46.5	Very low	44.6	Very low	154.4 Å²	154.4	94 Å²	94	67%	0.671	52%	0.519	S	S	*	.	H	α-helix	trans	-62.8	-39.4	172.3	-112.3	-178.5	178.7	-176.7	0	111.9	K1821 D1822 F1827 S1828 S1829	K1821-K1825 WeakPolarHBondContact O-CB 3.36Å; K1821-K1825 WeakPolarHBondContact O-CG 3.29Å; K1821-K1825 PolarHBondContact O-N 3.13Å; K1821-K1825 VanDerWaalsContact O-N 3.11Å; D1822-K1825 PolarHBondContact O-N 3.07Å; K1825-F1827 VanDerWaalsContact C-N 3.31Å; K1825-F1827 PolarHBondContact O-N 2.89Å; K1825-S1828 VanDerWaalsContact CA-OG 3.32Å; K1825-S1828 WeakPolarHBondContact CA-OG 3.37Å; K1825-S1828 PolarHBondContact O-N 2.82Å; K1825-S1828 PolarHBondContact O-OG 2.97Å; K1825-S1828 VanDerWaalsContact O-OG 3.09Å; K1825-S1829 WeakPolarHBondContact O-CB 3.41Å; K1825-S1829 PolarHBondContact O-N 3.1Å; K1825-S1829 VanDerWaalsContact O-N 3.12Å; K1825-S1829 PolarHBondContact O-OG 3Å
1826	L	45.1	Very low	44.2	Very low	78.6 Å²	78.6	92.7 Å²	92.7	41%	0.412	52%	0.515	S	S	.	.	H	α-helix	trans	-70.1	-28.6	176.2	-150.3	155.8	0	0	0	112.3	D1822 N1823 E1824 S1829 L1830 K1909	D1822-L1826 VanDerWaalsContact O-CB 3.25Å; D1822-L1826 WeakPolarHBondContact O-CB 3.31Å; D1822-L1826 VanDerWaalsContact O-CG 3.26Å; D1822-L1826 WeakPolarHBondContact O-CG 3.46Å; D1822-L1826 PolarHBondContact O-N 2.96Å; N1823-L1826 PolarHBondContact O-N 3.09Å; E1824-L1826 VanDerWaalsContact C-N 3.31Å; E1824-L1826 PolarHBondContact O-N 3.13Å; L1826-S1829 VanDerWaalsContact CA-OG 3.25Å; L1826-S1829 WeakPolarHBondContact CA-OG 3.34Å; L1826-S1829 WeakPolarHBondContact O-CB 3.31Å; L1826-S1829 PolarHBondContact O-N 3.23Å; L1826-S1829 PolarHBondContact O-OG 3.03Å; L1826-S1829 VanDerWaalsContact O-OG 3.05Å; L1826-L1830 HydrophobicContact CD2-CD1 4.11Å; L1826-L1830 HydrophobicContact CD2-CG 4.32Å; L1826-L1830 WeakPolarHBondContact O-CG 3.22Å; L1826-L1830 PolarHBondContact O-N 3.29Å; L1826-L1830 VanDerWaalsContact O-N 3.14Å; L1826-K1909 HydrophobicContact CD2-CD 4.08Å; L1826-K1909 HydrophobicContact CG-CD 4.44Å; L1826-K1909 PolarHBondContact O-NZ 3.12Å
1827	F	42.2	Very low	44.2	Very low	48 Å²	48	87.9 Å²	87.9	21%	0.211	50%	0.496	C	S	.	.	H	α-helix	trans	-78.4	-42.9	175	-152.2	-98.7	0	0	0	112.5	R1777 H1780 L1781 N1823 E1824 K1825 S1829 L1830 L1831 I1906	R1777-F1827 HydrophobicContact CG-CE1 4.34Å; H1780-F1827 AromaticContact CE1-CZ 3.99Å; H1780-F1827 AromaticContact ND1-CZ 3.93Å; L1781-F1827 HydrophobicContact CD1-CD1 3.93Å; L1781-F1827 HydrophobicContact CD1-CE1 3.84Å; L1781-F1827 HydrophobicContact CD1-CE2 4.05Å; L1781-F1827 HydrophobicContact CD1-CZ 4.49Å; L1781-F1827 HydrophobicContact CD2-CD2 4.32Å; L1781-F1827 HydrophobicContact CD2-CE1 4.31Å; L1781-F1827 HydrophobicContact CD2-CE2 3.5Å; L1781-F1827 VanDerWaalsContact CD2-CE2 3.47Å; L1781-F1827 HydrophobicContact CD2-CZ 3.57Å; L1781-F1827 VanDerWaalsContact CD2-CZ 3.43Å; L1781-F1827 HydrophobicContact CG-CE2 3.85Å; L1781-F1827 HydrophobicContact CG-CZ 3.82Å; N1823-F1827 VanDerWaalsContact O-CB 3.25Å; N1823-F1827 WeakPolarHBondContact O-CB 3.38Å; N1823-F1827 WeakPolarHBondContact O-CD2 3.49Å; N1823-F1827 PolarHBondContact O-N 3.21Å; E1824-F1827 WeakPolarHBondContact O-CB 3.42Å; E1824-F1827 PolarHBondContact O-N 2.98Å; E1824-F1827 VanDerWaalsContact O-N 3.16Å; K1825-F1827 VanDerWaalsContact C-N 3.31Å; K1825-F1827 PolarHBondContact O-N 2.89Å; F1827-S1829 VanDerWaalsContact C-N 3.33Å; F1827-S1829 PolarHBondContact O-N 3.17Å; F1827-L1830 HydrophobicContact CD1-CD1 4.33Å; F1827-L1830 HydrophobicContact CG-CD1 4.35Å; F1827-L1830 WeakPolarHBondContact O-CB 3.43Å; F1827-L1830 PolarHBondContact O-N 3.14Å; F1827-L1830 VanDerWaalsContact O-N 3.11Å; F1827-L1831 HydrophobicContact CD1-CD1 3.87Å; F1827-L1831 HydrophobicContact CE1-CD1 3.79Å; F1827-L1831 HydrophobicContact CZ-CD1 4.47Å; F1827-L1831 PolarHBondContact O-N 3.18Å; F1827-L1831 VanDerWaalsContact O-N 3.08Å; F1827-I1906 HydrophobicContact CE1-CG1 4.45Å; F1827-I1906 HydrophobicContact CZ-CG1 4.45Å
1828	S	48.4	Very low	43.9	Very low	62 Å²	62	87.5 Å²	87.5	43%	0.434	50%	0.499	S	S	.	.	H	α-helix	trans	-62.5	-36.7	171.1	52.7	0	0	0	0	112	E1824 K1825 L1830 L1831 S1832	E1824-S1828 WeakPolarHBondContact O-CB 3.3Å; E1824-S1828 PolarHBondContact O-N 3.23Å; E1824-S1828 PolarHBondContact O-OG 3.25Å; K1825-S1828 VanDerWaalsContact CA-OG 3.32Å; K1825-S1828 WeakPolarHBondContact CA-OG 3.37Å; K1825-S1828 PolarHBondContact O-N 2.82Å; K1825-S1828 PolarHBondContact O-OG 2.97Å; K1825-S1828 VanDerWaalsContact O-OG 3.09Å; S1828-L1830 VanDerWaalsContact C-N 3.32Å; S1828-L1830 PolarHBondContact O-N 3.09Å; S1828-L1831 PolarHBondContact O-N 3.05Å; S1828-L1831 VanDerWaalsContact O-N 3.15Å; S1828-S1832 VanDerWaalsContact O-CB 3.32Å; S1828-S1832 WeakPolarHBondContact O-CB 3.08Å; S1828-S1832 PolarHBondContact O-N 3.34Å; S1828-S1832 VanDerWaalsContact O-N 3.11Å; S1828-S1832 PolarHBondContact O-OG 3.26Å
1829	S	52.6	Low	43.2	Very low	46.2 Å²	46.2	87.9 Å²	87.9	32%	0.323	52%	0.515	S	S	.	.	H	α-helix	trans	-63.6	-34.1	171.8	82.8	0	0	0	0	113.8	K1825 L1826 F1827 L1831 S1832 S1833 K1909	K1825-S1829 WeakPolarHBondContact O-CB 3.41Å; K1825-S1829 PolarHBondContact O-N 3.1Å; K1825-S1829 VanDerWaalsContact O-N 3.12Å; K1825-S1829 PolarHBondContact O-OG 3Å; L1826-S1829 VanDerWaalsContact CA-OG 3.25Å; L1826-S1829 WeakPolarHBondContact CA-OG 3.34Å; L1826-S1829 WeakPolarHBondContact O-CB 3.31Å; L1826-S1829 PolarHBondContact O-N 3.23Å; L1826-S1829 PolarHBondContact O-OG 3.03Å; L1826-S1829 VanDerWaalsContact O-OG 3.05Å; F1827-S1829 VanDerWaalsContact C-N 3.33Å; F1827-S1829 PolarHBondContact O-N 3.17Å; S1829-L1831 VanDerWaalsContact C-N 3.31Å; S1829-L1831 PolarHBondContact O-N 3.04Å; S1829-S1832 WeakPolarHBondContact CA-OG 3.39Å; S1829-S1832 PolarHBondContact O-N 3.18Å; S1829-S1832 VanDerWaalsContact O-N 3.13Å; S1829-S1832 PolarHBondContact O-OG 3.09Å; S1829-S1833 VanDerWaalsContact O-CB 3.28Å; S1829-S1833 WeakPolarHBondContact O-CB 3.42Å; S1829-S1833 PolarHBondContact O-N 3.08Å; S1829-S1833 PolarHBondContact O-OG 3.38Å; S1829-S1833 VanDerWaalsContact O-OG 3.1Å; S1829-K1909 PolarHBondContact OG-NZ 3.04Å
1830	L	47.5	Very low	42.7	Very low	21.8 Å²	21.8	85.9 Å²	85.9	11%	0.114	51%	0.511	C	S	.	.	H	α-helix	trans	-66	-37.4	174.2	-78.7	167.3	0	0	0	112	L1826 F1827 S1828 S1832 S1833 Q1905 K1909	L1826-L1830 HydrophobicContact CD2-CD1 4.11Å; L1826-L1830 HydrophobicContact CD2-CG 4.32Å; L1826-L1830 WeakPolarHBondContact O-CG 3.22Å; L1826-L1830 PolarHBondContact O-N 3.29Å; L1826-L1830 VanDerWaalsContact O-N 3.14Å; F1827-L1830 HydrophobicContact CD1-CD1 4.33Å; F1827-L1830 HydrophobicContact CG-CD1 4.35Å; F1827-L1830 WeakPolarHBondContact O-CB 3.43Å; F1827-L1830 PolarHBondContact O-N 3.14Å; F1827-L1830 VanDerWaalsContact O-N 3.11Å; S1828-L1830 VanDerWaalsContact C-N 3.32Å; S1828-L1830 PolarHBondContact O-N 3.09Å; L1830-S1832 VanDerWaalsContact C-N 3.27Å; L1830-S1832 PolarHBondContact O-N 2.83Å; L1830-S1833 PolarHBondContact O-OG 3.48Å; L1830-Q1905 HydrophobicContact CD2-CB 3.99Å; L1830-Q1905 HydrophobicContact CD2-CG 4.35Å; L1830-Q1905 VanDerWaalsContact CD2-OE1 3.31Å; L1830-K1909 HydrophobicContact CD1-CD 4.32Å; L1830-K1909 HydrophobicContact CD2-CD 4.02Å; L1830-K1909 VanDerWaalsContact CD2-CE 3.42Å; L1830-K1909 VanDerWaalsContact CD2-NZ 3.29Å; L1830-K1909 HydrophobicContact CG-CD 4.29Å; L1830-K1909 VanDerWaalsContact CG-NZ 3.31Å
1831	L	47.6	Very low	42.1	Very low	61.6 Å²	61.6	92.6 Å²	92.6	32%	0.323	53%	0.532	S	S	.	.	H	α-helix	trans	-73.3	-32.8	178	-71.9	160.2	0	0	0	112	F1827 S1828 S1829 S1834	F1827-L1831 HydrophobicContact CD1-CD1 3.87Å; F1827-L1831 HydrophobicContact CE1-CD1 3.79Å; F1827-L1831 HydrophobicContact CZ-CD1 4.47Å; F1827-L1831 PolarHBondContact O-N 3.18Å; F1827-L1831 VanDerWaalsContact O-N 3.08Å; S1828-L1831 PolarHBondContact O-N 3.05Å; S1828-L1831 VanDerWaalsContact O-N 3.15Å; S1829-L1831 VanDerWaalsContact C-N 3.31Å; S1829-L1831 PolarHBondContact O-N 3.04Å; L1831-S1834 PolarHBondContact O-OG 3.06Å
1832	S	46.8	Very low	41.6	Very low	65.8 Å²	65.8	91.6 Å²	91.6	46%	0.46	54%	0.538	S	S	.	.	H	α-helix	trans	-90.2	-25.6	-179.4	55.5	0	0	0	0	114.6	S1828 S1829 L1830 S1834 S1835	S1828-S1832 VanDerWaalsContact O-CB 3.32Å; S1828-S1832 WeakPolarHBondContact O-CB 3.08Å; S1828-S1832 PolarHBondContact O-N 3.34Å; S1828-S1832 VanDerWaalsContact O-N 3.11Å; S1828-S1832 PolarHBondContact O-OG 3.26Å; S1829-S1832 WeakPolarHBondContact CA-OG 3.39Å; S1829-S1832 PolarHBondContact O-N 3.18Å; S1829-S1832 VanDerWaalsContact O-N 3.13Å; S1829-S1832 PolarHBondContact O-OG 3.09Å; L1830-S1832 VanDerWaalsContact C-N 3.27Å; L1830-S1832 PolarHBondContact O-N 2.83Å; S1832-S1834 PolarHBondContact O-N 3.16Å; S1832-S1835 PolarHBondContact O-N 3.25Å; S1832-S1835 VanDerWaalsContact O-N 3.17Å; S1832-S1835 PolarHBondContact O-OG 2.97Å; S1832-S1835 VanDerWaalsContact O-OG 3.1Å
1833	S	46.8	Very low	41.1	Very low	70.2 Å²	70.2	93.4 Å²	93.4	49%	0.491	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.7	9.8	-179.4	70.6	0	0	0	0	114.3	S1829 L1830	S1829-S1833 VanDerWaalsContact O-CB 3.28Å; S1829-S1833 WeakPolarHBondContact O-CB 3.42Å; S1829-S1833 PolarHBondContact O-N 3.08Å; S1829-S1833 PolarHBondContact O-OG 3.38Å; S1829-S1833 VanDerWaalsContact O-OG 3.1Å; L1830-S1833 PolarHBondContact O-OG 3.48Å
1834	S	46.3	Very low	40.6	Very low	71 Å²	71	93.8 Å²	93.8	50%	0.497	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.1	5.1	174.7	61.9	0	0	0	0	113.6	Q1790 L1831 S1832	Q1790-S1834 PolarHBondContact NE2-OG 3.37Å; L1831-S1834 PolarHBondContact O-OG 3.06Å; S1832-S1834 PolarHBondContact O-N 3.16Å
1835	S	36.8	Very low	40.6	Very low	90 Å²	90	89 Å²	89	63%	0.629	54%	0.543	S	S	*	.			trans	-128.5	38.1	-174.8	60	0	0	0	0	114	S1832 S1837	S1832-S1835 PolarHBondContact O-N 3.25Å; S1832-S1835 VanDerWaalsContact O-N 3.17Å; S1832-S1835 PolarHBondContact O-OG 2.97Å; S1832-S1835 VanDerWaalsContact O-OG 3.1Å; S1835-S1837 VanDerWaalsContact C-N 3.3Å; S1835-S1837 PolarHBondContact O-N 2.86Å; S1835-S1837 VanDerWaalsContact O-N 3.1Å
1836	S	33.8	Very low	41.2	Very low	108.4 Å²	108.4	89 Å²	89	76%	0.758	54%	0.543	S	S	*	.			trans	-118.3	45.3	-176.6	61.5	0	0	0	0	115.1
1837	S	37.3	Very low	42	Very low	72.6 Å²	72.6	85.7 Å²	85.7	51%	0.508	53%	0.525	S	S	.	.	S	Bend	trans	-156	109.9	167.8	59.4	0	0	0	0	113.1	S1835 N2010	S1835-S1837 VanDerWaalsContact C-N 3.3Å; S1835-S1837 PolarHBondContact O-N 2.86Å; S1835-S1837 VanDerWaalsContact O-N 3.1Å; S1837-N2010 VanDerWaalsContact CB-ND2 3.25Å; S1837-N2010 WeakPolarHBondContact CB-ND2 3.37Å; S1837-N2010 PolarHBondContact OG-ND2 3.26Å; S1837-N2010 VanDerWaalsContact OG-ND2 3.07Å
1838	T	35.5	Very low	43.3	Very low	119.2 Å²	119.2	88.7 Å²	88.7	73%	0.731	54%	0.544	S	S	*	.			trans	52.8	125.1	164.3	44.6	0	0	0	0	119.6	S1840	T1838-S1840 VanDerWaalsContact C-N 3.33Å; T1838-S1840 PolarHBondContact O-N 3.01Å
1839	P	28.9	Very low	44.8	Very low	140.2 Å²	140.2	86.1 Å²	86.1	91%	0.91	53%	0.525	S	S	*	.			trans	-84.8	87.7	179	34.6	-34.1	0	0	0	112.9
1840	S	30.6	Very low	46.3	Very low	88.2 Å²	88.2	85.6 Å²	85.6	62%	0.617	52%	0.518	S	S	*	.			trans	-113.8	116.9	170.3	58.3	0	0	0	0	112	T1838 T1842	T1838-S1840 VanDerWaalsContact C-N 3.33Å; T1838-S1840 PolarHBondContact O-N 3.01Å; S1840-T1842 VanDerWaalsContact C-N 3.35Å; S1840-T1842 PolarHBondContact O-N 3.01Å; S1840-T1842 PolarHBondContact O-OG1 3.16Å
1841	Q	28.2	Very low	48.1	Very low	200.4 Å²	200.4	88.3 Å²	88.3	94%	0.936	53%	0.529	S	S	*	.			trans	-31.6	86.4	175.4	-61.5	173.3	-3	0	0	115
1842	T	32.6	Very low	49.8	Very low	124.2 Å²	124.2	85.6 Å²	85.6	76%	0.762	52%	0.515	S	S	*	.			trans	-140.8	117.9	166.7	36.1	0	0	0	0	112.4	S1840 S1844	S1840-T1842 VanDerWaalsContact C-N 3.35Å; S1840-T1842 PolarHBondContact O-N 3.01Å; S1840-T1842 PolarHBondContact O-OG1 3.16Å; T1842-S1844 PolarHBondContact O-N 3.33Å
1843	V	35.2	Very low	51.5	Low	125.6 Å²	125.6	85 Å²	85	76%	0.761	50%	0.503	S	S	*	.			trans	-26.7	96.3	176.3	-172.8	0	0	0	0	113.8	S1845	V1843-S1845 PolarHBondContact O-N 3.35Å
1844	S	36.4	Very low	53.2	Low	83.8 Å²	83.8	84.9 Å²	84.9	59%	0.586	51%	0.506	S	S	*	.			trans	-73.6	71.7	162.6	-179.4	0	0	0	0	109.4	T1842 K1846	T1842-S1844 PolarHBondContact O-N 3.33Å; S1844-K1846 PolarHBondContact O-N 3.16Å; S1844-K1846 VanDerWaalsContact O-N 3.11Å
1845	S	47.9	Very low	54.8	Low	37.4 Å²	37.4	82.5 Å²	82.5	26%	0.262	49%	0.493	S	S	.	.			trans	-53.9	113.6	179.9	53.1	0	0	0	0	110.1	V1843 L1847	V1843-S1845 PolarHBondContact O-N 3.35Å; S1845-L1847 VanDerWaalsContact O-CD1 3.27Å; S1845-L1847 WeakPolarHBondContact O-CD1 3.43Å; S1845-L1847 PolarHBondContact O-N 3.11Å
1846	K	57.9	Low	56.8	Low	154.6 Å²	154.6	81.3 Å²	81.3	67%	0.672	50%	0.495	S	S	*	.			trans	-58.8	100.9	177.6	-176.4	179	179.3	175.6	0	109.4	S1844 N1848	S1844-K1846 PolarHBondContact O-N 3.16Å; S1844-K1846 VanDerWaalsContact O-N 3.11Å; K1846-N1848 VanDerWaalsContact CE-OD1 3.29Å; K1846-N1848 WeakPolarHBondContact CE-OD1 3.39Å; K1846-N1848 PolarHBondContact O-N 3.14Å; K1846-N1848 VanDerWaalsContact O-N 3.12Å
1847	L	63	Low	59.1	Low	7.8 Å²	7.8	79.1 Å²	79.1	4%	0.041	48%	0.477	C	S	.	.			trans	-65.6	111	174.8	-68.3	91.3	0	0	0	107.4	A1786 L1787 G1788 S1845 L1849 C1891 F1895	A1786-L1847 CarbonylContact O-C 3.51Å; L1787-L1847 CarbonylContact C-O 3.58Å; G1788-L1847 WeakPolarHBondContact CA-O 3.5Å; G1788-L1847 PolarHBondContact N-O 3.15Å; S1845-L1847 VanDerWaalsContact O-CD1 3.27Å; S1845-L1847 WeakPolarHBondContact O-CD1 3.43Å; S1845-L1847 PolarHBondContact O-N 3.11Å; L1847-L1849 HydrophobicContact CB-CD1 4.32Å; L1847-L1849 HydrophobicContact CD2-CD1 4.08Å; L1847-L1849 HydrophobicContact CG-CD1 4.28Å; L1847-L1849 PolarHBondContact O-N 3.05Å; L1847-C1891 HydrophobicContact CD1-CB 4.49Å; L1847-C1891 HydrophobicContact CD2-CB 4.41Å; L1847-C1891 WeakPolarHBondContact CD2-O 3.36Å; L1847-F1895 HydrophobicContact CD2-CB 3.76Å; L1847-F1895 HydrophobicContact CD2-CD2 4.2Å; L1847-F1895 HydrophobicContact CD2-CG 4.43Å
1848	N	68.3	Low	61.5	Low	112 Å²	112	77.6 Å²	77.6	60%	0.599	46%	0.462	S	S	*	.			trans	-107.6	68	174	-85.9	-15	0	0	0	107.8	K1846	K1846-N1848 VanDerWaalsContact CE-OD1 3.29Å; K1846-N1848 WeakPolarHBondContact CE-OD1 3.39Å; K1846-N1848 PolarHBondContact O-N 3.14Å; K1846-N1848 VanDerWaalsContact O-N 3.12Å
1849	L	81.4	Confident	64.1	Low	7.8 Å²	7.8	72 Å²	72	4%	0.041	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-89.9	135.2	178.1	-74.6	158.2	0	0	0	109.4	A1786 L1847 A1862 L1892 F1895	A1786-L1849 HydrophobicContact CB-CB 3.98Å; A1786-L1849 PolarHBondContact O-N 3Å; L1847-L1849 HydrophobicContact CB-CD1 4.32Å; L1847-L1849 HydrophobicContact CD2-CD1 4.08Å; L1847-L1849 HydrophobicContact CG-CD1 4.28Å; L1847-L1849 PolarHBondContact O-N 3.05Å; L1849-A1862 WeakPolarHBondContact CD2-O 3.5Å; L1849-L1892 HydrophobicContact CD2-CD1 3.89Å; L1849-F1895 HydrophobicContact CD1-CB 3.58Å; L1849-F1895 HydrophobicContact CD1-CD1 3.72Å; L1849-F1895 HydrophobicContact CD1-CD2 3.48Å; L1849-F1895 VanDerWaalsContact CD1-CD2 3.46Å; L1849-F1895 HydrophobicContact CD1-CE1 4.21Å; L1849-F1895 HydrophobicContact CD1-CE2 4Å; L1849-F1895 HydrophobicContact CD1-CG 3.31Å; L1849-F1895 HydrophobicContact CD1-CZ 4.32Å
1850	I	82.8	Confident	66.9	Low	34.6 Å²	34.6	65.3 Å²	65.3	18%	0.177	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133	179.8	-68	140.9	0	0	0	108.7	P1689 F1691 V1852 Y1861 A1862 L1865	P1689-I1850 HydrophobicContact CB-CG2 4.32Å; P1689-I1850 HydrophobicContact CG-CG2 3.74Å; F1691-I1850 HydrophobicContact CD1-CD1 4.45Å; F1691-I1850 HydrophobicContact CE1-CD1 3.65Å; F1691-I1850 HydrophobicContact CE1-CG1 4.38Å; F1691-I1850 HydrophobicContact CZ-CD1 4.34Å; I1850-V1852 HydrophobicContact CB-CG2 4.42Å; I1850-V1852 HydrophobicContact CG2-CG1 3.99Å; I1850-V1852 HydrophobicContact CG2-CG2 3.91Å; I1850-V1852 WeakPolarHBondContact O-CG2 3.18Å; I1850-V1852 PolarHBondContact O-N 3.2Å; I1850-V1852 VanDerWaalsContact O-N 3.09Å; I1850-Y1861 CarbonylContact O-C 3.55Å; I1850-Y1861 VanDerWaalsContact O-CA 3.31Å; I1850-Y1861 WeakPolarHBondContact O-CA 3.41Å; I1850-A1862 PolarHBondContact N-O 3.12Å; I1850-A1862 VanDerWaalsContact N-O 3.13Å; I1850-A1862 PolarHBondContact O-N 3.12Å; I1850-L1865 HydrophobicContact CB-CD1 4Å; I1850-L1865 HydrophobicContact CD1-CB 3.49Å; I1850-L1865 VanDerWaalsContact CD1-CB 3.47Å; I1850-L1865 HydrophobicContact CD1-CD1 3.74Å; I1850-L1865 HydrophobicContact CD1-CG 4.26Å; I1850-L1865 HydrophobicContact CG1-CD1 4.45Å; I1850-L1865 HydrophobicContact CG2-CD1 4.17Å
1851	K	86.8	Confident	69.8	Low	79.2 Å²	79.2	61.1 Å²	61.1	34%	0.344	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	121.4	172.8	-164	178.2	-160.9	161.3	0	108.9	I1779 D1783 V1859 Y1861	I1779-K1851 VanDerWaalsContact CG2-NZ 3.31Å; D1783-K1851 VanDerWaalsContact OD1-CD 3.3Å; D1783-K1851 WeakPolarHBondContact OD1-CD 3.33Å; D1783-K1851 VanDerWaalsContact OD1-CE 3.25Å; D1783-K1851 WeakPolarHBondContact OD1-CE 3.4Å; D1783-K1851 IonicContact OD1-NZ 3.49Å; D1783-K1851 PolarHBondContact OD1-NZ 3.24Å; D1783-K1851 IonicContact OD2-NZ 3.24Å; D1783-K1851 PolarHBondContact OD2-NZ 3.21Å; K1851-V1859 HydrophobicContact CD-CG1 4.44Å; K1851-V1859 VanDerWaalsContact CE-CG1 3.41Å; K1851-V1859 HydrophobicContact CG-CG1 4.22Å; K1851-Y1861 HydrophobicContact CB-CD1 4.27Å; K1851-Y1861 HydrophobicContact CB-CE1 4.12Å; K1851-Y1861 HydrophobicContact CD-CE1 4.42Å; K1851-Y1861 HydrophobicContact CG-CD1 4.42Å; K1851-Y1861 HydrophobicContact CG-CE1 4.02Å
1852	V	82.7	Confident	72.7	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.03	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-27	-167.7	-179.7	0	0	0	0	113.5	L1715 I1850 G1860 A1862 L1865 F1937 L1949	L1715-V1852 HydrophobicContact CD1-CG1 4.29Å; L1715-V1852 HydrophobicContact CD1-CG2 3.56Å; I1850-V1852 HydrophobicContact CB-CG2 4.42Å; I1850-V1852 HydrophobicContact CG2-CG1 3.99Å; I1850-V1852 HydrophobicContact CG2-CG2 3.91Å; I1850-V1852 WeakPolarHBondContact O-CG2 3.18Å; I1850-V1852 PolarHBondContact O-N 3.2Å; I1850-V1852 VanDerWaalsContact O-N 3.09Å; V1852-G1860 WeakPolarHBondContact CA-O 3.31Å; V1852-G1860 PolarHBondContact N-O 3.07Å; V1852-A1862 HydrophobicContact CB-CB 4.22Å; V1852-A1862 HydrophobicContact CG1-CB 3.91Å; V1852-A1862 HydrophobicContact CG2-CB 3.77Å; V1852-L1865 HydrophobicContact CG1-CD1 4.13Å; V1852-L1865 HydrophobicContact CG2-CD1 4.19Å; V1852-F1937 HydrophobicContact CB-CE1 4.36Å; V1852-F1937 HydrophobicContact CG1-CD1 4.48Å; V1852-F1937 HydrophobicContact CG1-CE1 3.69Å; V1852-F1937 HydrophobicContact CG1-CZ 4.25Å; V1852-F1937 HydrophobicContact CG2-CE1 3.7Å; V1852-F1937 HydrophobicContact CG2-CZ 4.37Å; V1852-L1949 HydrophobicContact CB-CB 4.21Å; V1852-L1949 HydrophobicContact CG1-CB 3.39Å; V1852-L1949 HydrophobicContact CG1-CD2 3.78Å; V1852-L1949 HydrophobicContact CG1-CG 4.18Å; V1852-L1949 HydrophobicContact CG2-CB 4.5Å; V1852-L1949 HydrophobicContact CG2-CD1 4.21Å
1853	Y	83.1	Confident	75.2	Confident	52.6 Å²	52.6	46.4 Å²	46.4	21%	0.206	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	142.9	-179.6	-178.5	-99.9	0	0	0	109.5	L1717 M1858 V1859 G1860 L1954 R1958	L1717-Y1853 HydrophobicContact CD1-CD1 3.74Å; L1717-Y1853 HydrophobicContact CD1-CE1 4.29Å; L1717-Y1853 HydrophobicContact CD2-CD1 4.33Å; Y1853-M1858 HydrophobicContact CD1-CB 4.49Å; Y1853-M1858 HydrophobicContact CE1-CB 4.1Å; Y1853-M1858 HydrophobicContact CE1-CE 4.48Å; Y1853-V1859 CarbonylContact O-C 3.49Å; Y1853-V1859 WeakPolarHBondContact O-CA 3.29Å; Y1853-V1859 WeakPolarHBondContact O-CG1 3.31Å; Y1853-G1860 PolarHBondContact N-O 3.18Å; Y1853-G1860 PolarHBondContact O-N 3.19Å; Y1853-L1954 HydrophobicContact CD2-CD1 4.48Å; Y1853-L1954 HydrophobicContact CD2-CD2 4.4Å; Y1853-L1954 HydrophobicContact CG-CD1 4.46Å; Y1853-R1958 PolarHBondContact OH-NH1 3.16Å; Y1853-R1958 VanDerWaalsContact OH-NH1 3.11Å
1854	A	81.7	Confident	77.1	Confident	67.6 Å²	67.6	41.4 Å²	41.4	56%	0.559	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.2	127.7	167.4	0	0	0	0	0	108.1	M1858	A1854-M1858 WeakPolarHBondContact CA-O 3.25Å
1855	G	78.8	Confident	78.6	Confident	21 Å²	21	37.7 Å²	37.7	22%	0.216	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	109.2	-177	0	0	0	0	0	111.9	T1857 M1858	G1855-T1857 PolarHBondContact O-N 3.1Å; G1855-M1858 PolarHBondContact N-O 3.24Å; G1855-M1858 WeakPolarHBondContact O-CB 3.41Å; G1855-M1858 PolarHBondContact O-N 3.05Å
1856	G	79.1	Confident	79.1	Confident	64.8 Å²	64.8	38.9 Å²	38.9	67%	0.668	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	-124.1	-175.2	0	0	0	0	0	111.7	M1858	G1856-M1858 VanDerWaalsContact C-N 3.3Å; G1856-M1858 PolarHBondContact O-N 3.13Å
1857	T	82.9	Confident	78.6	Confident	62.2 Å²	62.2	35 Å²	35	38%	0.382	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.5	175.5	51.9	0	0	0	0	114.2	N1719 F1720 L1775 G1855	N1719-T1857 WeakPolarHBondContact OD1-CB 3.36Å; N1719-T1857 PolarHBondContact OD1-OG1 3.01Å; F1720-T1857 WeakPolarHBondContact CD2-O 3.47Å; F1720-T1857 PolarHBondContact N-O 3.29Å; F1720-T1857 WeakPolarHBondContact O-CB 3.4Å; F1720-T1857 WeakPolarHBondContact O-CG2 3.36Å; L1775-T1857 HydrophobicContact CD2-CG2 4.39Å; G1855-T1857 PolarHBondContact O-N 3.1Å
1858	M	87.1	Confident	77.6	Confident	41 Å²	41	40.6 Å²	40.6	20%	0.202	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.5	-176.5	-66.7	-179	-73.2	0	0	112.6	L1717 I1718 N1719 Y1853 A1854 G1855 G1856 L1961	L1717-M1858 HydrophobicContact CD1-CB 4.32Å; L1717-M1858 HydrophobicContact CD2-SD 4.28Å; I1718-M1858 CarbonylContact O-C 3.43Å; I1718-M1858 VanDerWaalsContact O-CA 3.29Å; I1718-M1858 WeakPolarHBondContact O-CA 3.36Å; N1719-M1858 HydrophobicContact CB-CG 3.93Å; Y1853-M1858 HydrophobicContact CD1-CB 4.49Å; Y1853-M1858 HydrophobicContact CE1-CB 4.1Å; Y1853-M1858 HydrophobicContact CE1-CE 4.48Å; A1854-M1858 WeakPolarHBondContact CA-O 3.25Å; G1855-M1858 PolarHBondContact N-O 3.24Å; G1855-M1858 WeakPolarHBondContact O-CB 3.41Å; G1855-M1858 PolarHBondContact O-N 3.05Å; G1856-M1858 VanDerWaalsContact C-N 3.3Å; G1856-M1858 PolarHBondContact O-N 3.13Å; M1858-L1961 HydrophobicContact CG-CD1 4.49Å; M1858-L1961 HydrophobicContact CG-CD2 4.25Å; M1858-L1961 HydrophobicContact SD-CD1 4.16Å; M1858-L1961 HydrophobicContact SD-CD2 3.79Å
1859	V	89.6	Confident	76.3	Confident	1.8 Å²	1.8	41 Å²	41	1%	0.011	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.4	172.2	-171	0	0	0	0	109.8	I1718 F1720 I1779 K1851 Y1853 Y1861	I1718-V1859 PolarHBondContact N-O 3.1Å; I1718-V1859 PolarHBondContact O-N 3.26Å; F1720-V1859 HydrophobicContact CE2-CB 4.45Å; F1720-V1859 HydrophobicContact CE2-CG2 4.21Å; I1779-V1859 HydrophobicContact CD1-CG2 3.69Å; I1779-V1859 HydrophobicContact CG1-CG2 3.89Å; I1779-V1859 HydrophobicContact CG2-CG2 4.4Å; K1851-V1859 HydrophobicContact CD-CG1 4.44Å; K1851-V1859 VanDerWaalsContact CE-CG1 3.41Å; K1851-V1859 HydrophobicContact CG-CG1 4.22Å; Y1853-V1859 CarbonylContact O-C 3.49Å; Y1853-V1859 WeakPolarHBondContact O-CA 3.29Å; Y1853-V1859 WeakPolarHBondContact O-CG1 3.31Å; V1859-Y1861 HydrophobicContact CB-CE2 4.1Å; V1859-Y1861 HydrophobicContact CG1-CD2 4.31Å; V1859-Y1861 HydrophobicContact CG1-CE1 4.39Å; V1859-Y1861 HydrophobicContact CG1-CE2 3.51Å; V1859-Y1861 VanDerWaalsContact CG1-CE2 3.46Å; V1859-Y1861 WeakPolarHBondContact CG1-OH 3.33Å
1860	G	89.6	Confident	74.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.9	179.9	0	0	0	0	0	112.9	V1716 V1852 Y1853	V1716-G1860 CarbonylContact O-C 3.56Å; V1716-G1860 WeakPolarHBondContact O-CA 3.25Å; V1852-G1860 WeakPolarHBondContact CA-O 3.31Å; V1852-G1860 PolarHBondContact N-O 3.07Å; Y1853-G1860 PolarHBondContact N-O 3.18Å; Y1853-G1860 PolarHBondContact O-N 3.19Å
1861	Y	90.6	Very high	71.7	Confident	0.4 Å²	0.4	50.2 Å²	50.2	0%	0.002	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.2	178.1	-61.2	-87.1	0	0	0	110.4	V1716 I1718 V1782 D1783 A1786 I1850 K1851 V1859 F1895	V1716-Y1861 PolarHBondContact N-O 2.96Å; V1716-Y1861 PolarHBondContact O-N 2.9Å; I1718-Y1861 HydrophobicContact CD1-CD2 4.17Å; I1718-Y1861 HydrophobicContact CD1-CE2 4.26Å; V1782-Y1861 HydrophobicContact CG1-CD2 4.48Å; V1782-Y1861 HydrophobicContact CG1-CE2 3.61Å; V1782-Y1861 WeakPolarHBondContact CG1-OH 3.38Å; D1783-Y1861 WeakPolarHBondContact OD1-CE1 3.35Å; D1783-Y1861 PolarHBondContact OD1-OH 3.08Å; D1783-Y1861 VanDerWaalsContact OD1-OH 3.14Å; A1786-Y1861 HydrophobicContact CB-CD1 3.8Å; A1786-Y1861 HydrophobicContact CB-CE1 3.75Å; I1850-Y1861 CarbonylContact O-C 3.55Å; I1850-Y1861 VanDerWaalsContact O-CA 3.31Å; I1850-Y1861 WeakPolarHBondContact O-CA 3.41Å; K1851-Y1861 HydrophobicContact CB-CD1 4.27Å; K1851-Y1861 HydrophobicContact CB-CE1 4.12Å; K1851-Y1861 HydrophobicContact CD-CE1 4.42Å; K1851-Y1861 HydrophobicContact CG-CD1 4.42Å; K1851-Y1861 HydrophobicContact CG-CE1 4.02Å; V1859-Y1861 HydrophobicContact CB-CE2 4.1Å; V1859-Y1861 HydrophobicContact CG1-CD2 4.31Å; V1859-Y1861 HydrophobicContact CG1-CE1 4.39Å; V1859-Y1861 HydrophobicContact CG1-CE2 3.51Å; V1859-Y1861 VanDerWaalsContact CG1-CE2 3.46Å; V1859-Y1861 WeakPolarHBondContact CG1-OH 3.33Å; Y1861-F1895 HydrophobicContact CD1-CZ 4.17Å; Y1861-F1895 AromaticContact CD2-CE1 3.62Å; Y1861-F1895 HydrophobicContact CD2-CE1 3.62Å; Y1861-F1895 AromaticContact CD2-CZ 3.67Å; Y1861-F1895 HydrophobicContact CD2-CZ 3.67Å; Y1861-F1895 HydrophobicContact CE1-CZ 4.38Å; Y1861-F1895 HydrophobicContact CE2-CE1 4.23Å; Y1861-F1895 AromaticContact CE2-CZ 3.89Å; Y1861-F1895 HydrophobicContact CE2-CZ 3.89Å; Y1861-F1895 AromaticContact CG-CE1 3.83Å; Y1861-F1895 HydrophobicContact CG-CE1 3.83Å; Y1861-F1895 AromaticContact CG-CZ 3.81Å; Y1861-F1895 HydrophobicContact CG-CZ 3.81Å
1862	A	88.3	Confident	69.1	Low	0 Å²	0	54.5 Å²	54.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	147.5	-177.5	0	0	0	0	0	113.7	I1713 G1714 L1715 L1849 I1850 V1852 L1865 F1937	I1713-A1862 HydrophobicContact CG2-CB 4.15Å; G1714-A1862 CarbonylContact O-C 3.57Å; G1714-A1862 VanDerWaalsContact O-CA 3.27Å; G1714-A1862 WeakPolarHBondContact O-CA 3.4Å; L1715-A1862 HydrophobicContact CD1-CB 4.35Å; L1849-A1862 WeakPolarHBondContact CD2-O 3.5Å; I1850-A1862 PolarHBondContact N-O 3.12Å; I1850-A1862 VanDerWaalsContact N-O 3.13Å; I1850-A1862 PolarHBondContact O-N 3.12Å; V1852-A1862 HydrophobicContact CB-CB 4.22Å; V1852-A1862 HydrophobicContact CG1-CB 3.91Å; V1852-A1862 HydrophobicContact CG2-CB 3.77Å; A1862-L1865 HydrophobicContact CB-CD1 4.01Å; A1862-F1937 HydrophobicContact CB-CZ 4.43Å
1863	T	85.6	Confident	66.7	Low	14.4 Å²	14.4	58.8 Å²	58.8	9%	0.088	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	158.7	171.7	-168.4	0	0	0	0	110.4	I1713 G1714 Q1888 W1889 L1892	I1713-T1863 WeakPolarHBondContact CG1-O 3.31Å; I1713-T1863 WeakPolarHBondContact CG2-O 3.38Å; G1714-T1863 PolarHBondContact N-O 3.17Å; G1714-T1863 VanDerWaalsContact N-O 3.11Å; G1714-T1863 PolarHBondContact O-N 3.16Å; T1863-Q1888 HydrophobicContact CG2-CB 4.01Å; T1863-W1889 HydrophobicContact CG2-CE3 4.11Å; T1863-W1889 HydrophobicContact CG2-CZ3 3.89Å; T1863-L1892 HydrophobicContact CG2-CB 4.34Å; T1863-L1892 HydrophobicContact CG2-CD1 3.76Å; T1863-L1892 HydrophobicContact CG2-CD2 4.14Å; T1863-L1892 HydrophobicContact CG2-CG 4.32Å
1864	G	75.3	Confident	64.3	Low	20.6 Å²	20.6	64.2 Å²	64.2	21%	0.212	39%	0.387	C	S	.	.			trans	91.6	4.2	-174.9	0	0	0	0	0	115.2	G1866	G1864-G1866 VanDerWaalsContact C-N 3.3Å; G1864-G1866 PolarHBondContact O-N 3.31Å
1865	L	68.2	Low	62	Low	7.4 Å²	7.4	68 Å²	68	4%	0.039	40%	0.399	C	S	.	.			trans	-82.8	12.5	178	-83.6	167	0	0	0	114.7	F1691 I1713 I1850 V1852 A1862 F1937	F1691-L1865 HydrophobicContact CE2-CD2 4.38Å; F1691-L1865 HydrophobicContact CZ-CB 4.42Å; F1691-L1865 HydrophobicContact CZ-CD2 4.12Å; I1713-L1865 HydrophobicContact CD1-CD2 3.84Å; I1713-L1865 HydrophobicContact CD1-CG 3.84Å; I1850-L1865 HydrophobicContact CB-CD1 4Å; I1850-L1865 HydrophobicContact CD1-CB 3.49Å; I1850-L1865 VanDerWaalsContact CD1-CB 3.47Å; I1850-L1865 HydrophobicContact CD1-CD1 3.74Å; I1850-L1865 HydrophobicContact CD1-CG 4.26Å; I1850-L1865 HydrophobicContact CG1-CD1 4.45Å; I1850-L1865 HydrophobicContact CG2-CD1 4.17Å; V1852-L1865 HydrophobicContact CG1-CD1 4.13Å; V1852-L1865 HydrophobicContact CG2-CD1 4.19Å; A1862-L1865 HydrophobicContact CB-CD1 4.01Å; L1865-F1937 HydrophobicContact CD1-CD1 4.48Å; L1865-F1937 HydrophobicContact CD1-CE1 3.84Å; L1865-F1937 HydrophobicContact CD1-CE2 4.41Å; L1865-F1937 HydrophobicContact CD1-CZ 3.75Å; L1865-F1937 HydrophobicContact CD2-CD1 4.38Å; L1865-F1937 HydrophobicContact CD2-CD2 3.82Å; L1865-F1937 HydrophobicContact CD2-CE1 4.22Å; L1865-F1937 HydrophobicContact CD2-CE2 3.6Å; L1865-F1937 VanDerWaalsContact CD2-CE2 3.46Å; L1865-F1937 HydrophobicContact CD2-CG 4.24Å; L1865-F1937 HydrophobicContact CD2-CZ 3.8Å; L1865-F1937 HydrophobicContact CG-CE1 4.4Å; L1865-F1937 HydrophobicContact CG-CE2 4.24Å; L1865-F1937 HydrophobicContact CG-CZ 4.03Å
1866	G	59	Low	59.9	Low	62.2 Å²	62.2	74.6 Å²	74.6	64%	0.641	42%	0.424	S	S	*	.			trans	-67.5	136.2	-179.9	0	0	0	0	0	112.5	G1864 H1868	G1864-G1866 VanDerWaalsContact C-N 3.3Å; G1864-G1866 PolarHBondContact O-N 3.31Å; G1866-H1868 PolarHBondContact O-N 3.04Å; G1866-H1868 VanDerWaalsContact O-N 3.1Å
1867	T	46.2	Very low	58	Low	73.6 Å²	73.6	75.9 Å²	75.9	45%	0.452	41%	0.412	S	S	.	.			trans	-73.6	98	175.9	41.9	0	0	0	0	110.9	F1691 E1869	F1691-T1867 HydrophobicContact CB-CG2 4.24Å; F1691-T1867 HydrophobicContact CG-CG2 4.5Å; T1867-E1869 WeakPolarHBondContact CG2-OE2 3.28Å; T1867-E1869 PolarHBondContact O-N 3.17Å
1868	H	41.8	Very low	55.8	Low	125 Å²	125	77.9 Å²	77.9	58%	0.579	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	38.6	172.2	-157.2	-58.5	0	0	0	111.9	G1866 S1871 H1877	G1866-H1868 PolarHBondContact O-N 3.04Å; G1866-H1868 VanDerWaalsContact O-N 3.1Å; H1868-S1871 PolarHBondContact CE1-OG 3.25Å; H1868-S1871 PolarHBondContact ND1-OG 3.05Å; H1868-H1877 AromaticContact CE1-CE1 3.38Å; H1868-H1877 PolarHBondContact CE1-CE1 3.1Å; H1868-H1877 VanDerWaalsContact CE1-CE1 3.47Å; H1868-H1877 AromaticContact CE1-CG 3.91Å; H1868-H1877 AromaticContact CE1-ND1 3.56Å; H1868-H1877 PolarHBondContact CE1-ND1 3.32Å; H1868-H1877 AromaticContact CE1-NE2 3.77Å; H1868-H1877 AromaticContact ND1-CE1 3.82Å; H1868-H1877 AromaticContact NE2-CE1 3.81Å; H1868-H1877 AromaticContact NE2-ND1 3.5Å; H1868-H1877 PolarHBondContact NE2-ND1 2.7Å
1869	E	41.1	Very low	53.6	Low	119 Å²	119	82.8 Å²	82.8	56%	0.556	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	11.1	-170.1	-67.2	168.6	-167.9	0	0	111.5	K1695 K1708 T1867	K1695-E1869 VanDerWaalsContact CE-OE2 3.28Å; K1695-E1869 WeakPolarHBondContact CE-OE2 3.32Å; K1695-E1869 IonicContact NZ-OE1 3.03Å; K1695-E1869 PolarHBondContact NZ-OE1 3.05Å; K1695-E1869 IonicContact NZ-OE2 2.67Å; K1695-E1869 PolarHBondContact NZ-OE2 3.04Å; K1708-E1869 IonicContact NZ-OE1 3.07Å; K1708-E1869 PolarHBondContact NZ-OE1 3.27Å; T1867-E1869 WeakPolarHBondContact CG2-OE2 3.28Å; T1867-E1869 PolarHBondContact O-N 3.17Å
1870	E	36.9	Very low	51.3	Low	190.8 Å²	190.8	89.2 Å²	89.2	89%	0.892	48%	0.482	S	S	*	.	S	Bend	trans	-118.6	36.8	-179.7	-160.3	170.4	-134.3	0	0	111.5
1871	S	30.9	Very low	48.9	Very low	45.2 Å²	45.2	91.6 Å²	91.6	32%	0.316	50%	0.502	S	S	.	.			trans	-145.2	69.7	177.8	72.5	0	0	0	0	112.7	H1868 C1873 H1877	H1868-S1871 PolarHBondContact CE1-OG 3.25Å; H1868-S1871 PolarHBondContact ND1-OG 3.05Å; S1871-C1873 PolarHBondContact O-N 2.99Å; S1871-H1877 PolarHBondContact OG-NE2 3.35Å
1872	D	31.7	Very low	46.6	Very low	170.4 Å²	170.4	95.3 Å²	95.3	91%	0.911	53%	0.528	S	S	*	.			trans	-69	56.3	162.3	-78.7	-37.4	0	0	0	110.5	Q1874	D1872-Q1874 PolarHBondContact O-N 2.92Å
1873	C	33.6	Very low	44.7	Very low	94 Å²	94	101.8 Å²	101.8	64%	0.635	56%	0.559	S	S	*	*			trans	-124.7	90.2	174.8	-70	0	0	0	0	108.7	S1871 H1877	S1871-C1873 PolarHBondContact O-N 2.99Å; C1873-H1877 PolarHBondContact O-CD2 2.94Å; C1873-H1877 PolarHBondContact O-NE2 3.23Å
1874	Q	32.7	Very low	43.3	Very low	166.2 Å²	166.2	104.3 Å²	104.3	78%	0.777	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	155.1	176	-63.4	169	-13.8	0	0	110.9	D1872 H1876	D1872-Q1874 PolarHBondContact O-N 2.92Å; Q1874-H1876 PolarHBondContact O-N 3.2Å
1875	N	32.7	Very low	42.4	Very low	148.8 Å²	148.8	105 Å²	105	80%	0.796	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.2	10.4	160.6	-50.5	-30.6	0	0	0	121.4
1876	H	34.3	Very low	41.9	Very low	159.8 Å²	159.8	107 Å²	107	74%	0.74	59%	0.586	S	S	*	*			trans	-131.9	15.3	173.6	-84.3	-52.5	0	0	0	117.3	Q1874 S1878	Q1874-H1876 PolarHBondContact O-N 3.2Å; H1876-S1878 PolarHBondContact O-N 3.33Å
1877	H	39.3	Very low	42.3	Very low	91.4 Å²	91.4	108.6 Å²	108.6	42%	0.423	58%	0.58	S	S	.	*	H	α-helix	trans	-86.7	-7.4	-160.6	-102.5	-82.1	0	0	0	118.7	H1868 S1871 C1873 L1879 K1880 A1881	H1868-H1877 AromaticContact CE1-CE1 3.38Å; H1868-H1877 PolarHBondContact CE1-CE1 3.1Å; H1868-H1877 VanDerWaalsContact CE1-CE1 3.47Å; H1868-H1877 AromaticContact CE1-CG 3.91Å; H1868-H1877 AromaticContact CE1-ND1 3.56Å; H1868-H1877 PolarHBondContact CE1-ND1 3.32Å; H1868-H1877 AromaticContact CE1-NE2 3.77Å; H1868-H1877 AromaticContact ND1-CE1 3.82Å; H1868-H1877 AromaticContact NE2-CE1 3.81Å; H1868-H1877 AromaticContact NE2-ND1 3.5Å; H1868-H1877 PolarHBondContact NE2-ND1 2.7Å; S1871-H1877 PolarHBondContact OG-NE2 3.35Å; C1873-H1877 PolarHBondContact O-CD2 2.94Å; C1873-H1877 PolarHBondContact O-NE2 3.23Å; H1877-L1879 VanDerWaalsContact C-N 3.3Å; H1877-L1879 PolarHBondContact O-N 3.14Å; H1877-K1880 VanDerWaalsContact CE1-CD 3.42Å; H1877-K1880 WeakPolarHBondContact CE1-CD 3.45Å; H1877-K1880 WeakPolarHBondContact NE2-CD 3.32Å; H1877-K1880 PolarHBondContact NE2-NZ 3.43Å; H1877-K1880 PolarHBondContact O-N 3.07Å; H1877-K1880 VanDerWaalsContact O-N 3.12Å; H1877-A1881 WeakPolarHBondContact O-CB 3.38Å; H1877-A1881 PolarHBondContact O-N 2.86Å; H1877-A1881 VanDerWaalsContact O-N 3.1Å
1878	S	38	Very low	43.6	Very low	104.4 Å²	104.4	107.1 Å²	107.1	73%	0.73	57%	0.568	S	S	*	*	H	α-helix	trans	-72.7	-39.9	-174.8	57.8	0	0	0	0	114.7	H1876	H1876-S1878 PolarHBondContact O-N 3.33Å
1879	L	40	Very low	45.4	Very low	144.4 Å²	144.4	101.3 Å²	101.3	76%	0.756	54%	0.541	S	S	*	.	H	α-helix	trans	-79.8	-38.5	-178.2	-84.6	132.6	0	0	0	113.4	H1877 A1881 S1882 Q1883	H1877-L1879 VanDerWaalsContact C-N 3.3Å; H1877-L1879 PolarHBondContact O-N 3.14Å; L1879-A1881 VanDerWaalsContact C-N 3.29Å; L1879-A1881 PolarHBondContact O-N 3.3Å; L1879-S1882 PolarHBondContact O-N 3.03Å; L1879-S1882 VanDerWaalsContact O-N 3.14Å; L1879-Q1883 PolarHBondContact O-N 3.37Å
1880	K	40.6	Very low	47	Very low	134.6 Å²	134.6	96.5 Å²	96.5	59%	0.585	52%	0.521	S	S	*	.	H	α-helix	trans	-67.5	-27.8	-179.1	-75.5	-177.5	176	178.9	0	113.1	H1877 S1882 Q1883 T1884	H1877-K1880 VanDerWaalsContact CE1-CD 3.42Å; H1877-K1880 WeakPolarHBondContact CE1-CD 3.45Å; H1877-K1880 WeakPolarHBondContact NE2-CD 3.32Å; H1877-K1880 PolarHBondContact NE2-NZ 3.43Å; H1877-K1880 PolarHBondContact O-N 3.07Å; H1877-K1880 VanDerWaalsContact O-N 3.12Å; K1880-S1882 VanDerWaalsContact C-N 3.33Å; K1880-S1882 PolarHBondContact O-N 3.12Å; K1880-Q1883 PolarHBondContact O-N 3.47Å; K1880-T1884 WeakPolarHBondContact O-CB 3.48Å; K1880-T1884 WeakPolarHBondContact O-CG2 3.41Å; K1880-T1884 PolarHBondContact O-N 3.19Å; K1880-T1884 VanDerWaalsContact O-N 3.08Å; K1880-T1884 PolarHBondContact O-OG1 3.16Å
1881	A	41.1	Very low	48.9	Very low	50.6 Å²	50.6	88.6 Å²	88.6	42%	0.418	49%	0.486	S	S	.	.	H	α-helix	trans	-61.9	-39.7	174.7	0	0	0	0	0	112.5	H1877 L1879 T1884 T1885	H1877-A1881 WeakPolarHBondContact O-CB 3.38Å; H1877-A1881 PolarHBondContact O-N 2.86Å; H1877-A1881 VanDerWaalsContact O-N 3.1Å; L1879-A1881 VanDerWaalsContact C-N 3.29Å; L1879-A1881 PolarHBondContact O-N 3.3Å; A1881-T1884 PolarHBondContact O-N 3.35Å; A1881-T1884 PolarHBondContact O-OG1 2.97Å; A1881-T1884 VanDerWaalsContact O-OG1 3.07Å; A1881-T1885 WeakPolarHBondContact O-CG2 3.46Å; A1881-T1885 PolarHBondContact O-N 3.05Å
1882	S	41.6	Very low	51.4	Low	77.6 Å²	77.6	86.5 Å²	86.5	54%	0.543	47%	0.472	S	S	.	.	H	α-helix	trans	-68.2	-49.2	177.9	-174	0	0	0	0	111.7	L1879 K1880 T1884 T1885 V1886	L1879-S1882 PolarHBondContact O-N 3.03Å; L1879-S1882 VanDerWaalsContact O-N 3.14Å; K1880-S1882 VanDerWaalsContact C-N 3.33Å; K1880-S1882 PolarHBondContact O-N 3.12Å; S1882-T1884 VanDerWaalsContact C-N 3.28Å; S1882-T1884 PolarHBondContact O-N 3.07Å; S1882-T1885 PolarHBondContact O-N 3.39Å; S1882-T1885 VanDerWaalsContact O-N 3.1Å; S1882-T1885 PolarHBondContact O-OG1 3.09Å; S1882-V1886 WeakPolarHBondContact O-CG2 3.43Å; S1882-V1886 PolarHBondContact O-N 3.18Å
1883	Q	47.4	Very low	53.8	Low	138 Å²	138	80 Å²	80	65%	0.645	44%	0.437	S	S	*	.	H	α-helix	trans	-65.8	-28.2	-176.9	-159.6	171.4	32.3	0	0	113.2	L1879 K1880 N1887	L1879-Q1883 PolarHBondContact O-N 3.37Å; K1880-Q1883 PolarHBondContact O-N 3.47Å; Q1883-N1887 PolarHBondContact O-N 3.29Å; Q1883-N1887 PolarHBondContact O-ND2 3.42Å; Q1883-N1887 VanDerWaalsContact O-ND2 3.07Å
1884	T	56.5	Low	56.1	Low	65.8 Å²	65.8	79.6 Å²	79.6	40%	0.404	42%	0.424	S	S	.	.	H	α-helix	trans	-71.8	-34.5	175.2	30.4	0	0	0	0	113	K1880 A1881 S1882 N1887 Q1888	K1880-T1884 WeakPolarHBondContact O-CB 3.48Å; K1880-T1884 WeakPolarHBondContact O-CG2 3.41Å; K1880-T1884 PolarHBondContact O-N 3.19Å; K1880-T1884 VanDerWaalsContact O-N 3.08Å; K1880-T1884 PolarHBondContact O-OG1 3.16Å; A1881-T1884 PolarHBondContact O-N 3.35Å; A1881-T1884 PolarHBondContact O-OG1 2.97Å; A1881-T1884 VanDerWaalsContact O-OG1 3.07Å; S1882-T1884 VanDerWaalsContact C-N 3.28Å; S1882-T1884 PolarHBondContact O-N 3.07Å; T1884-N1887 PolarHBondContact O-N 3.07Å; T1884-Q1888 VanDerWaalsContact O-CG 3.31Å; T1884-Q1888 WeakPolarHBondContact O-CG 3.36Å; T1884-Q1888 PolarHBondContact O-N 3.36Å; T1884-Q1888 PolarHBondContact O-NE2 3.11Å
1885	T	56.7	Low	58.7	Low	36 Å²	36	71.8 Å²	71.8	22%	0.221	39%	0.387	C	S	.	.	H	α-helix	trans	-69.9	-43.9	176.6	62.1	0	0	0	0	112.4	A1881 S1882 N1887 Q1888 W1889	A1881-T1885 WeakPolarHBondContact O-CG2 3.46Å; A1881-T1885 PolarHBondContact O-N 3.05Å; S1882-T1885 PolarHBondContact O-N 3.39Å; S1882-T1885 VanDerWaalsContact O-N 3.1Å; S1882-T1885 PolarHBondContact O-OG1 3.09Å; T1885-N1887 PolarHBondContact O-N 3.14Å; T1885-N1887 VanDerWaalsContact O-N 3.17Å; T1885-Q1888 WeakPolarHBondContact O-CA 3.48Å; T1885-Q1888 WeakPolarHBondContact O-CB 3.39Å; T1885-Q1888 PolarHBondContact O-N 3.21Å; T1885-W1889 PolarHBondContact O-N 3.05Å; T1885-W1889 VanDerWaalsContact O-N 3.17Å; T1885-W1889 PolarHBondContact O-NE1 3.14Å; T1885-W1889 VanDerWaalsContact O-NE1 3.17Å
1886	V	58.1	Low	61.3	Low	48.2 Å²	48.2	64.8 Å²	64.8	29%	0.292	35%	0.35	S	S	.	.	H	α-helix	trans	-54.2	-39.8	176.4	172.4	0	0	0	0	111.9	S1882 Q1888 S1890 P1986	S1882-V1886 WeakPolarHBondContact O-CG2 3.43Å; S1882-V1886 PolarHBondContact O-N 3.18Å; V1886-Q1888 PolarHBondContact O-N 2.92Å; V1886-S1890 WeakPolarHBondContact O-CB 3.35Å; V1886-S1890 PolarHBondContact O-N 3.15Å; V1886-S1890 VanDerWaalsContact O-N 3.14Å; V1886-S1890 PolarHBondContact O-OG 3.12Å; V1886-P1986 HydrophobicContact CG1-CG 3.83Å; V1886-P1986 VanDerWaalsContact CG1-CG 3.44Å
1887	N	66	Low	63.5	Low	96 Å²	96	60.1 Å²	60.1	51%	0.513	33%	0.329	S	S	.	.	H	α-helix	trans	-67.7	-33.5	175.6	-73.3	-25.3	0	0	0	113.1	Q1883 T1884 T1885 S1890 C1891	Q1883-N1887 PolarHBondContact O-N 3.29Å; Q1883-N1887 PolarHBondContact O-ND2 3.42Å; Q1883-N1887 VanDerWaalsContact O-ND2 3.07Å; T1884-N1887 PolarHBondContact O-N 3.07Å; T1885-N1887 PolarHBondContact O-N 3.14Å; T1885-N1887 VanDerWaalsContact O-N 3.17Å; N1887-S1890 PolarHBondContact O-N 2.88Å; N1887-C1891 VanDerWaalsContact O-CB 3.3Å; N1887-C1891 WeakPolarHBondContact O-CB 3.4Å; N1887-C1891 PolarHBondContact O-N 3.27Å; N1887-C1891 PolarHBondContact O-SG 3.16Å
1888	Q	73.8	Confident	65.7	Low	42.6 Å²	42.6	60.1 Å²	60.1	20%	0.199	33%	0.325	C	S	.	.	H	α-helix	trans	-67	-45	178.3	-69	162.9	25.6	0	0	111.9	T1863 T1884 T1885 V1886 S1890 C1891 L1892	T1863-Q1888 HydrophobicContact CG2-CB 4.01Å; T1884-Q1888 VanDerWaalsContact O-CG 3.31Å; T1884-Q1888 WeakPolarHBondContact O-CG 3.36Å; T1884-Q1888 PolarHBondContact O-N 3.36Å; T1884-Q1888 PolarHBondContact O-NE2 3.11Å; T1885-Q1888 WeakPolarHBondContact O-CA 3.48Å; T1885-Q1888 WeakPolarHBondContact O-CB 3.39Å; T1885-Q1888 PolarHBondContact O-N 3.21Å; V1886-Q1888 PolarHBondContact O-N 2.92Å; Q1888-S1890 VanDerWaalsContact C-N 3.34Å; Q1888-S1890 PolarHBondContact O-N 3.36Å; Q1888-C1891 WeakPolarHBondContact O-CB 3.38Å; Q1888-C1891 PolarHBondContact O-N 3.16Å; Q1888-L1892 WeakPolarHBondContact O-CB 3.37Å; Q1888-L1892 PolarHBondContact O-N 3.03Å
1889	W	79.4	Confident	68	Low	3.2 Å²	3.2	55.2 Å²	55.2	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-63.8	-42.7	175.9	-44.9	127.5	0	0	0	111.3	N1712 G1714 T1863 T1885 C1891 L1892 I1893 S1932 L1981 L1984 I1985	N1712-W1889 WeakPolarHBondContact O-CH2 3.34Å; G1714-W1889 VanDerWaalsContact CA-CZ3 3.41Å; G1714-W1889 VanDerWaalsContact N-CZ3 3.3Å; T1863-W1889 HydrophobicContact CG2-CE3 4.11Å; T1863-W1889 HydrophobicContact CG2-CZ3 3.89Å; T1885-W1889 PolarHBondContact O-N 3.05Å; T1885-W1889 VanDerWaalsContact O-N 3.17Å; T1885-W1889 PolarHBondContact O-NE1 3.14Å; T1885-W1889 VanDerWaalsContact O-NE1 3.17Å; W1889-C1891 VanDerWaalsContact C-N 3.32Å; W1889-C1891 PolarHBondContact O-N 3.24Å; W1889-L1892 HydrophobicContact CE3-CD2 4.42Å; W1889-L1892 VanDerWaalsContact O-CB 3.26Å; W1889-L1892 WeakPolarHBondContact O-CB 3.34Å; W1889-L1892 PolarHBondContact O-N 3.26Å; W1889-L1892 VanDerWaalsContact O-N 3.12Å; W1889-I1893 WeakPolarHBondContact O-CG1 3.4Å; W1889-I1893 PolarHBondContact O-N 3.23Å; W1889-I1893 VanDerWaalsContact O-N 3.12Å; W1889-S1932 VanDerWaalsContact CH2-CB 3.46Å; W1889-S1932 WeakPolarHBondContact CH2-OG 3.43Å; W1889-S1932 WeakPolarHBondContact CZ2-OG 3.35Å; W1889-S1932 VanDerWaalsContact CZ3-CB 3.5Å; W1889-S1932 WeakPolarHBondContact CZ3-OG 3.25Å; W1889-L1981 HydrophobicContact CD2-CD1 4.1Å; W1889-L1981 HydrophobicContact CE3-CD1 3.61Å; W1889-L1981 VanDerWaalsContact CE3-CD1 3.44Å; W1889-L1981 HydrophobicContact CE3-CG 4.23Å; W1889-L1981 HydrophobicContact CG-CD1 4.39Å; W1889-L1981 HydrophobicContact CZ3-CD1 3.82Å; W1889-L1984 VanDerWaalsContact CD1-O 3.26Å; W1889-L1984 HydrophobicContact CD2-CB 4.37Å; W1889-L1984 HydrophobicContact CG-CB 4.37Å; W1889-L1984 HydrophobicContact CH2-CD1 4.42Å; W1889-L1984 HydrophobicContact CZ2-CD1 3.9Å; W1889-I1985 HydrophobicContact CB-CG1 4.11Å
1890	S	75.4	Confident	70.2	Confident	18.4 Å²	18.4	48.4 Å²	48.4	13%	0.129	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-40.2	176.7	-57	0	0	0	0	112.6	V1886 N1887 Q1888 L1892 K1894 L1989	V1886-S1890 WeakPolarHBondContact O-CB 3.35Å; V1886-S1890 PolarHBondContact O-N 3.15Å; V1886-S1890 VanDerWaalsContact O-N 3.14Å; V1886-S1890 PolarHBondContact O-OG 3.12Å; N1887-S1890 PolarHBondContact O-N 2.88Å; Q1888-S1890 VanDerWaalsContact C-N 3.34Å; Q1888-S1890 PolarHBondContact O-N 3.36Å; S1890-L1892 VanDerWaalsContact C-N 3.35Å; S1890-K1894 WeakPolarHBondContact O-CB 3.18Å; S1890-K1894 VanDerWaalsContact O-CG 3.3Å; S1890-K1894 WeakPolarHBondContact O-CG 3.44Å; S1890-K1894 PolarHBondContact O-N 2.99Å; S1890-L1989 WeakPolarHBondContact OG-CD1 3.36Å
1891	C	76.9	Confident	72.2	Confident	25.2 Å²	25.2	43.8 Å²	43.8	17%	0.17	24%	0.238	C	C	.	.	H	α-helix	trans	-66.9	-37.9	174	-82.7	0	0	0	0	112.2	L1847 N1887 Q1888 W1889 I1893 K1894 F1895	L1847-C1891 HydrophobicContact CD1-CB 4.49Å; L1847-C1891 HydrophobicContact CD2-CB 4.41Å; L1847-C1891 WeakPolarHBondContact CD2-O 3.36Å; N1887-C1891 VanDerWaalsContact O-CB 3.3Å; N1887-C1891 WeakPolarHBondContact O-CB 3.4Å; N1887-C1891 PolarHBondContact O-N 3.27Å; N1887-C1891 PolarHBondContact O-SG 3.16Å; Q1888-C1891 WeakPolarHBondContact O-CB 3.38Å; Q1888-C1891 PolarHBondContact O-N 3.16Å; W1889-C1891 VanDerWaalsContact C-N 3.32Å; W1889-C1891 PolarHBondContact O-N 3.24Å; C1891-I1893 PolarHBondContact O-N 2.78Å; C1891-K1894 PolarHBondContact O-N 3.17Å; C1891-F1895 WeakPolarHBondContact O-CB 3.35Å; C1891-F1895 PolarHBondContact O-N 3.03Å
1892	L	83.8	Confident	74.3	Confident	0.8 Å²	0.8	42.5 Å²	42.5	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-39.2	-179.8	-168.5	118.8	0	0	0	112.4	V1716 L1849 T1863 Q1888 W1889 S1890 I1896 L1930 L1981	V1716-L1892 HydrophobicContact CG2-CD1 3.63Å; V1716-L1892 VanDerWaalsContact CG2-CD1 3.48Å; V1716-L1892 HydrophobicContact CG2-CD2 3.81Å; V1716-L1892 HydrophobicContact CG2-CG 3.43Å; V1716-L1892 VanDerWaalsContact CG2-CG 3.43Å; L1849-L1892 HydrophobicContact CD2-CD1 3.89Å; T1863-L1892 HydrophobicContact CG2-CB 4.34Å; T1863-L1892 HydrophobicContact CG2-CD1 3.76Å; T1863-L1892 HydrophobicContact CG2-CD2 4.14Å; T1863-L1892 HydrophobicContact CG2-CG 4.32Å; Q1888-L1892 WeakPolarHBondContact O-CB 3.37Å; Q1888-L1892 PolarHBondContact O-N 3.03Å; W1889-L1892 HydrophobicContact CE3-CD2 4.42Å; W1889-L1892 VanDerWaalsContact O-CB 3.26Å; W1889-L1892 WeakPolarHBondContact O-CB 3.34Å; W1889-L1892 PolarHBondContact O-N 3.26Å; W1889-L1892 VanDerWaalsContact O-N 3.12Å; S1890-L1892 VanDerWaalsContact C-N 3.35Å; L1892-I1896 HydrophobicContact CD2-CD1 4.24Å; L1892-I1896 WeakPolarHBondContact O-CG1 3.46Å; L1892-I1896 PolarHBondContact O-N 3.19Å; L1892-L1930 HydrophobicContact CD2-CB 4.44Å; L1892-L1930 HydrophobicContact CD2-CD2 3.63Å; L1892-L1930 VanDerWaalsContact CD2-CD2 3.49Å; L1892-L1930 HydrophobicContact CD2-CG 3.89Å; L1892-L1930 HydrophobicContact CG-CD2 3.98Å; L1892-L1981 HydrophobicContact CD2-CD1 4.19Å; L1892-L1981 HydrophobicContact CD2-CD2 4.49Å
1893	I	82.1	Confident	76.3	Confident	34.8 Å²	34.8	38.8 Å²	38.8	18%	0.178	20%	0.198	C	C	.	.	H	α-helix	trans	-67.5	-51.2	174.1	-60.5	163.1	0	0	0	110.6	W1889 C1891 F1895 I1896 E1897 I1985 L1989 L2014	W1889-I1893 WeakPolarHBondContact O-CG1 3.4Å; W1889-I1893 PolarHBondContact O-N 3.23Å; W1889-I1893 VanDerWaalsContact O-N 3.12Å; C1891-I1893 PolarHBondContact O-N 2.78Å; I1893-F1895 PolarHBondContact O-N 2.95Å; I1893-F1895 VanDerWaalsContact O-N 3.15Å; I1893-I1896 PolarHBondContact O-N 3.17Å; I1893-I1896 VanDerWaalsContact O-N 3.07Å; I1893-E1897 PolarHBondContact O-N 2.97Å; I1893-I1985 HydrophobicContact CD1-CB 4.49Å; I1893-I1985 HydrophobicContact CD1-CD1 3.67Å; I1893-I1985 HydrophobicContact CD1-CG1 3.91Å; I1893-I1985 HydrophobicContact CD1-CG2 3.89Å; I1893-I1985 HydrophobicContact CG1-CD1 4.38Å; I1893-L1989 HydrophobicContact CD1-CD1 4.34Å; I1893-L2014 HydrophobicContact CG2-CD1 4.38Å; I1893-L2014 HydrophobicContact CG2-CD2 4.23Å
1894	K	81.9	Confident	78	Confident	85.6 Å²	85.6	33.7 Å²	33.7	37%	0.372	18%	0.175	S	C	.	.	H	α-helix	trans	-58.1	-29.3	179	-74.1	177.8	177.2	-175.5	0	113	S1890 C1891 R1898	S1890-K1894 WeakPolarHBondContact O-CB 3.18Å; S1890-K1894 VanDerWaalsContact O-CG 3.3Å; S1890-K1894 WeakPolarHBondContact O-CG 3.44Å; S1890-K1894 PolarHBondContact O-N 2.99Å; C1891-K1894 PolarHBondContact O-N 3.17Å; K1894-R1898 WeakPolarHBondContact O-CB 3.34Å; K1894-R1898 WeakPolarHBondContact O-CD 3.29Å; K1894-R1898 VanDerWaalsContact O-CG 3.25Å; K1894-R1898 WeakPolarHBondContact O-CG 3.4Å; K1894-R1898 PolarHBondContact O-N 3.2Å
1895	F	86.6	Confident	79.2	Confident	0.6 Å²	0.6	32.9 Å²	32.9	0%	0.003	17%	0.166	C	C	.	.	H	α-helix	trans	-65.5	-51.7	172	174.8	-116.2	0	0	0	111.8	V1716 I1718 V1782 L1785 A1786 L1847 L1849 Y1861 C1891 I1893 E1897 R1898 V1899	V1716-F1895 HydrophobicContact CG2-CD1 4.47Å; I1718-F1895 HydrophobicContact CD1-CE1 3.92Å; I1718-F1895 HydrophobicContact CD1-CZ 4.45Å; V1782-F1895 HydrophobicContact CG1-CE1 4.48Å; V1782-F1895 HydrophobicContact CG1-CE2 4.01Å; V1782-F1895 HydrophobicContact CG1-CZ 3.54Å; L1785-F1895 HydrophobicContact CB-CD2 4.29Å; L1785-F1895 HydrophobicContact CB-CE2 4.01Å; A1786-F1895 HydrophobicContact CB-CE2 3.81Å; A1786-F1895 HydrophobicContact CB-CZ 4.1Å; L1847-F1895 HydrophobicContact CD2-CB 3.76Å; L1847-F1895 HydrophobicContact CD2-CD2 4.2Å; L1847-F1895 HydrophobicContact CD2-CG 4.43Å; L1849-F1895 HydrophobicContact CD1-CB 3.58Å; L1849-F1895 HydrophobicContact CD1-CD1 3.72Å; L1849-F1895 HydrophobicContact CD1-CD2 3.48Å; L1849-F1895 VanDerWaalsContact CD1-CD2 3.46Å; L1849-F1895 HydrophobicContact CD1-CE1 4.21Å; L1849-F1895 HydrophobicContact CD1-CE2 4Å; L1849-F1895 HydrophobicContact CD1-CG 3.31Å; L1849-F1895 HydrophobicContact CD1-CZ 4.32Å; Y1861-F1895 HydrophobicContact CD1-CZ 4.17Å; Y1861-F1895 AromaticContact CD2-CE1 3.62Å; Y1861-F1895 HydrophobicContact CD2-CE1 3.62Å; Y1861-F1895 AromaticContact CD2-CZ 3.67Å; Y1861-F1895 HydrophobicContact CD2-CZ 3.67Å; Y1861-F1895 HydrophobicContact CE1-CZ 4.38Å; Y1861-F1895 HydrophobicContact CE2-CE1 4.23Å; Y1861-F1895 AromaticContact CE2-CZ 3.89Å; Y1861-F1895 HydrophobicContact CE2-CZ 3.89Å; Y1861-F1895 AromaticContact CG-CE1 3.83Å; Y1861-F1895 HydrophobicContact CG-CE1 3.83Å; Y1861-F1895 AromaticContact CG-CZ 3.81Å; Y1861-F1895 HydrophobicContact CG-CZ 3.81Å; C1891-F1895 WeakPolarHBondContact O-CB 3.35Å; C1891-F1895 PolarHBondContact O-N 3.03Å; I1893-F1895 PolarHBondContact O-N 2.95Å; I1893-F1895 VanDerWaalsContact O-N 3.15Å; F1895-E1897 VanDerWaalsContact C-N 3.33Å; F1895-E1897 PolarHBondContact O-N 3.2Å; F1895-R1898 WeakPolarHBondContact O-CB 3.45Å; F1895-R1898 PolarHBondContact O-N 3.21Å; F1895-R1898 VanDerWaalsContact O-N 3.16Å; F1895-V1899 HydrophobicContact CD1-CG2 4.46Å; F1895-V1899 HydrophobicContact CD2-CG2 4.28Å; F1895-V1899 HydrophobicContact CE1-CG2 4.3Å; F1895-V1899 HydrophobicContact CE2-CG2 4Å; F1895-V1899 HydrophobicContact CG-CG2 4.49Å; F1895-V1899 HydrophobicContact CZ-CG2 4.03Å; F1895-V1899 WeakPolarHBondContact O-CG2 3.35Å; F1895-V1899 PolarHBondContact O-N 3.2Å
1896	I	86.8	Confident	80.3	Confident	3.6 Å²	3.6	32.2 Å²	32.2	2%	0.018	16%	0.161	C	C	.	.	H	α-helix	trans	-64.6	-40.3	-178.3	-63.1	170.5	0	0	0	111.3	V1716 L1892 I1893 R1898 V1899 I1900 A1928 L1930 I1975	V1716-I1896 HydrophobicContact CB-CD1 4.34Å; V1716-I1896 HydrophobicContact CG1-CD1 3.51Å; V1716-I1896 VanDerWaalsContact CG1-CD1 3.48Å; V1716-I1896 HydrophobicContact CG1-CG1 3.85Å; V1716-I1896 HydrophobicContact CG2-CD1 3.81Å; V1716-I1896 HydrophobicContact CG2-CG1 4.21Å; L1892-I1896 HydrophobicContact CD2-CD1 4.24Å; L1892-I1896 WeakPolarHBondContact O-CG1 3.46Å; L1892-I1896 PolarHBondContact O-N 3.19Å; I1893-I1896 PolarHBondContact O-N 3.17Å; I1893-I1896 VanDerWaalsContact O-N 3.07Å; I1896-R1898 VanDerWaalsContact C-N 3.33Å; I1896-R1898 PolarHBondContact O-N 3.22Å; I1896-V1899 PolarHBondContact O-N 3.24Å; I1896-V1899 VanDerWaalsContact O-N 3.13Å; I1896-I1900 HydrophobicContact CG2-CD1 3.97Å; I1896-I1900 HydrophobicContact CG2-CG1 4.43Å; I1896-I1900 WeakPolarHBondContact O-CG1 3.42Å; I1896-I1900 PolarHBondContact O-N 3.31Å; I1896-A1928 HydrophobicContact CD1-CB 4.36Å; I1896-A1928 HydrophobicContact CG2-CB 4.18Å; I1896-L1930 HydrophobicContact CD1-CD1 3.56Å; I1896-L1930 VanDerWaalsContact CD1-CD1 3.48Å; I1896-L1930 HydrophobicContact CD1-CD2 3.66Å; I1896-L1930 HydrophobicContact CD1-CG 3.58Å; I1896-I1975 HydrophobicContact CG2-CD1 3.84Å; I1896-I1975 HydrophobicContact CG2-CG1 4.14Å
1897	E	82.2	Confident	81.5	Confident	60.8 Å²	60.8	30.1 Å²	30.1	28%	0.284	15%	0.148	S	C	.	.	H	α-helix	trans	-53.4	-50.5	172.1	-176.2	-178.4	-158.3	0	0	111.1	I1893 F1895 V1899 I1900 V1901 L2014	I1893-E1897 PolarHBondContact O-N 2.97Å; F1895-E1897 VanDerWaalsContact C-N 3.33Å; F1895-E1897 PolarHBondContact O-N 3.2Å; E1897-V1899 VanDerWaalsContact C-N 3.34Å; E1897-V1899 PolarHBondContact O-N 3.13Å; E1897-I1900 PolarHBondContact O-N 3.13Å; E1897-V1901 VanDerWaalsContact O-CG2 3.32Å; E1897-V1901 WeakPolarHBondContact O-CG2 3.41Å; E1897-V1901 PolarHBondContact O-N 3.13Å; E1897-L2014 HydrophobicContact CB-CD2 4.45Å
1898	R	84.2	Confident	82.1	Confident	91.6 Å²	91.6	31.1 Å²	31.1	35%	0.346	15%	0.15	S	C	.	.	H	α-helix	trans	-63.5	-37.2	176.1	-71.5	172.2	175.1	-141.8	-4.6	113.1	L1785 K1894 F1895 I1896 V1901 I1902	L1785-R1898 HydrophobicContact CD1-CB 3.84Å; L1785-R1898 HydrophobicContact CD2-CB 4.29Å; K1894-R1898 WeakPolarHBondContact O-CB 3.34Å; K1894-R1898 WeakPolarHBondContact O-CD 3.29Å; K1894-R1898 VanDerWaalsContact O-CG 3.25Å; K1894-R1898 WeakPolarHBondContact O-CG 3.4Å; K1894-R1898 PolarHBondContact O-N 3.2Å; F1895-R1898 WeakPolarHBondContact O-CB 3.45Å; F1895-R1898 PolarHBondContact O-N 3.21Å; F1895-R1898 VanDerWaalsContact O-N 3.16Å; I1896-R1898 VanDerWaalsContact C-N 3.33Å; I1896-R1898 PolarHBondContact O-N 3.22Å; R1898-V1901 PolarHBondContact O-N 3.07Å; R1898-I1902 WeakPolarHBondContact O-CB 3.46Å; R1898-I1902 WeakPolarHBondContact O-CG1 3.34Å; R1898-I1902 PolarHBondContact O-N 2.97Å; R1898-I1902 VanDerWaalsContact O-N 3.09Å
1899	V	86.3	Confident	81.9	Confident	0.2 Å²	0.2	32.4 Å²	32.4	0%	0.001	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-43.7	176.8	171.8	0	0	0	0	111.3	I1718 F1720 V1782 L1785 F1895 I1896 E1897 I1902 C1903 V1926	I1718-V1899 HydrophobicContact CD1-CG1 4.3Å; I1718-V1899 HydrophobicContact CD1-CG2 4.38Å; F1720-V1899 HydrophobicContact CE1-CG1 4.43Å; V1782-V1899 HydrophobicContact CB-CG2 4.41Å; V1782-V1899 HydrophobicContact CG1-CG2 3.68Å; V1782-V1899 HydrophobicContact CG2-CB 4.49Å; V1782-V1899 HydrophobicContact CG2-CG1 3.88Å; V1782-V1899 HydrophobicContact CG2-CG2 3.97Å; L1785-V1899 HydrophobicContact CD1-CG2 3.94Å; F1895-V1899 HydrophobicContact CD1-CG2 4.46Å; F1895-V1899 HydrophobicContact CD2-CG2 4.28Å; F1895-V1899 HydrophobicContact CE1-CG2 4.3Å; F1895-V1899 HydrophobicContact CE2-CG2 4Å; F1895-V1899 HydrophobicContact CG-CG2 4.49Å; F1895-V1899 HydrophobicContact CZ-CG2 4.03Å; F1895-V1899 WeakPolarHBondContact O-CG2 3.35Å; F1895-V1899 PolarHBondContact O-N 3.2Å; I1896-V1899 PolarHBondContact O-N 3.24Å; I1896-V1899 VanDerWaalsContact O-N 3.13Å; E1897-V1899 VanDerWaalsContact C-N 3.34Å; E1897-V1899 PolarHBondContact O-N 3.13Å; V1899-I1902 PolarHBondContact O-N 3.1Å; V1899-C1903 PolarHBondContact O-N 3.23Å; V1899-C1903 PolarHBondContact O-SG 2.95Å; V1899-V1926 HydrophobicContact CG1-CG1 4.42Å; V1899-V1926 HydrophobicContact CG1-CG2 4.48Å
1900	I	85.9	Confident	81.3	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.015	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-46.1	177.4	-67.6	171.2	0	0	0	110.1	I1896 E1897 I1902 C1903 D1904 V1926 H1973 I1975 Y2017 L2058	I1896-I1900 HydrophobicContact CG2-CD1 3.97Å; I1896-I1900 HydrophobicContact CG2-CG1 4.43Å; I1896-I1900 WeakPolarHBondContact O-CG1 3.42Å; I1896-I1900 PolarHBondContact O-N 3.31Å; E1897-I1900 PolarHBondContact O-N 3.13Å; I1900-I1902 VanDerWaalsContact C-N 3.29Å; I1900-I1902 PolarHBondContact O-N 2.94Å; I1900-C1903 CarbonylContact O-C 3.53Å; I1900-C1903 WeakPolarHBondContact O-CA 3.35Å; I1900-C1903 PolarHBondContact O-N 3.11Å; I1900-C1903 VanDerWaalsContact O-N 3.12Å; I1900-D1904 WeakPolarHBondContact O-CB 3.41Å; I1900-D1904 PolarHBondContact O-N 2.96Å; I1900-V1926 HydrophobicContact CG1-CB 4.39Å; I1900-V1926 HydrophobicContact CG1-CG1 4.33Å; I1900-H1973 HydrophobicContact CD1-CB 4.35Å; I1900-H1973 HydrophobicContact CG1-CB 4.47Å; I1900-H1973 HydrophobicContact CG2-CB 4.18Å; I1900-I1975 HydrophobicContact CD1-CD1 3.66Å; I1900-I1975 HydrophobicContact CD1-CG1 3.96Å; I1900-Y2017 HydrophobicContact CG2-CD1 3.85Å; I1900-Y2017 HydrophobicContact CG2-CD2 4.43Å; I1900-Y2017 HydrophobicContact CG2-CE1 3.34Å; I1900-Y2017 HydrophobicContact CG2-CE2 4.03Å; I1900-Y2017 HydrophobicContact CG2-CG 4.38Å; I1900-Y2017 VanDerWaalsContact CG2-CZ 3.45Å; I1900-L2058 HydrophobicContact CD1-CD2 4.21Å
1901	V	84.3	Confident	80.7	Confident	37.8 Å²	37.8	40 Å²	40	23%	0.229	19%	0.189	C	C	.	.	H	α-helix	trans	-57	-40.9	175.8	170	0	0	0	0	112.2	E1897 R1898 D1904 Q1905 L2013	E1897-V1901 VanDerWaalsContact O-CG2 3.32Å; E1897-V1901 WeakPolarHBondContact O-CG2 3.41Å; E1897-V1901 PolarHBondContact O-N 3.13Å; R1898-V1901 PolarHBondContact O-N 3.07Å; V1901-D1904 WeakPolarHBondContact O-CB 3.49Å; V1901-D1904 PolarHBondContact O-N 2.94Å; V1901-Q1905 WeakPolarHBondContact O-CB 3.35Å; V1901-Q1905 VanDerWaalsContact O-CG 3.27Å; V1901-Q1905 WeakPolarHBondContact O-CG 3.46Å; V1901-Q1905 PolarHBondContact O-N 3.05Å; V1901-L2013 HydrophobicContact CG2-CD1 3.86Å
1902	I	83.6	Confident	79.9	Confident	22.6 Å²	22.6	43.2 Å²	43.2	12%	0.116	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-42.1	174.4	-76.4	-177.3	0	0	0	111.8	L1781 L1785 R1898 V1899 I1900 D1904 Q1905 I1906	L1781-I1902 HydrophobicContact CB-CG2 4.25Å; L1781-I1902 HydrophobicContact CD1-CG2 4.02Å; L1781-I1902 HydrophobicContact CD2-CD1 4.4Å; L1785-I1902 HydrophobicContact CD1-CD1 3.65Å; L1785-I1902 HydrophobicContact CD1-CG1 4.38Å; L1785-I1902 HydrophobicContact CD2-CD1 4.06Å; L1785-I1902 HydrophobicContact CG-CD1 3.9Å; R1898-I1902 WeakPolarHBondContact O-CB 3.46Å; R1898-I1902 WeakPolarHBondContact O-CG1 3.34Å; R1898-I1902 PolarHBondContact O-N 2.97Å; R1898-I1902 VanDerWaalsContact O-N 3.09Å; V1899-I1902 PolarHBondContact O-N 3.1Å; I1900-I1902 VanDerWaalsContact C-N 3.29Å; I1900-I1902 PolarHBondContact O-N 2.94Å; I1902-D1904 VanDerWaalsContact C-N 3.34Å; I1902-D1904 PolarHBondContact O-N 3.27Å; I1902-Q1905 PolarHBondContact O-N 3.31Å; I1902-I1906 HydrophobicContact CG2-CD1 3.99Å; I1902-I1906 HydrophobicContact CG2-CG1 4.49Å; I1902-I1906 VanDerWaalsContact O-CG1 3.31Å; I1902-I1906 WeakPolarHBondContact O-CG1 3.37Å; I1902-I1906 PolarHBondContact O-N 3.15Å
1903	C	84.6	Confident	78.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-38.4	177.8	-65.8	0	0	0	0	111.8	V1899 I1900 I1906 N1907 V1926	V1899-C1903 PolarHBondContact O-N 3.23Å; V1899-C1903 PolarHBondContact O-SG 2.95Å; I1900-C1903 CarbonylContact O-C 3.53Å; I1900-C1903 WeakPolarHBondContact O-CA 3.35Å; I1900-C1903 PolarHBondContact O-N 3.11Å; I1900-C1903 VanDerWaalsContact O-N 3.12Å; C1903-I1906 WeakPolarHBondContact O-CB 3.33Å; C1903-I1906 PolarHBondContact O-N 3.01Å; C1903-N1907 WeakPolarHBondContact O-CB 3.21Å; C1903-N1907 VanDerWaalsContact O-CG 3.24Å; C1903-N1907 PolarHBondContact O-N 3.15Å; C1903-N1907 PolarHBondContact O-ND2 3.27Å; C1903-V1926 HydrophobicContact CB-CG2 3.81Å; C1903-V1926 WeakPolarHBondContact SG-CG2 3.33Å
1904	D	83.5	Confident	76.6	Confident	31.8 Å²	31.8	48.4 Å²	48.4	17%	0.17	25%	0.252	C	S	.	.	H	α-helix	trans	-66	-40.5	172.6	-94.3	-39.7	0	0	0	112.7	I1900 V1901 I1902 I1906 N1907 Q1908 H1973 Y2017 R2056	I1900-D1904 WeakPolarHBondContact O-CB 3.41Å; I1900-D1904 PolarHBondContact O-N 2.96Å; V1901-D1904 WeakPolarHBondContact O-CB 3.49Å; V1901-D1904 PolarHBondContact O-N 2.94Å; I1902-D1904 VanDerWaalsContact C-N 3.34Å; I1902-D1904 PolarHBondContact O-N 3.27Å; D1904-I1906 VanDerWaalsContact C-N 3.31Å; D1904-I1906 PolarHBondContact O-N 3.12Å; D1904-N1907 CarbonylContact O-C 3.54Å; D1904-N1907 WeakPolarHBondContact O-CB 3.32Å; D1904-N1907 PolarHBondContact O-N 3.12Å; D1904-N1907 VanDerWaalsContact O-N 3.13Å; D1904-N1907 PolarHBondContact OD1-ND2 3.44Å; D1904-Q1908 WeakPolarHBondContact O-CB 3.38Å; D1904-Q1908 VanDerWaalsContact O-CG 3.25Å; D1904-Q1908 WeakPolarHBondContact O-CG 3.38Å; D1904-Q1908 PolarHBondContact O-N 3.15Å; D1904-H1973 IonicContact OD1-CD2 2.88Å; D1904-H1973 IonicContact OD1-NE2 2.99Å; D1904-H1973 PolarHBondContact OD1-NE2 3.26Å; D1904-H1973 IonicContact OD2-CD2 3.49Å; D1904-H1973 PolarHBondContact OD2-CD2 3.41Å; D1904-H1973 IonicContact OD2-NE2 3.15Å; D1904-H1973 PolarHBondContact OD2-NE2 3.37Å; D1904-Y2017 WeakPolarHBondContact OD2-CE1 3.24Å; D1904-Y2017 PolarHBondContact OD2-OH 3.04Å; D1904-R2056 IonicContact OD1-CZ 3.73Å; D1904-R2056 IonicContact OD1-NH1 3.98Å; D1904-R2056 IonicContact OD1-NH2 2.71Å; D1904-R2056 PolarHBondContact OD1-NH2 3.17Å; D1904-R2056 IonicContact OD2-CZ 3.22Å; D1904-R2056 VanDerWaalsContact OD2-CZ 3.22Å; D1904-R2056 IonicContact OD2-NH1 2.76Å; D1904-R2056 PolarHBondContact OD2-NH1 3.48Å; D1904-R2056 IonicContact OD2-NH2 2.96Å; D1904-R2056 PolarHBondContact OD2-NH2 3.02Å
1905	Q	80.7	Confident	75.1	Confident	47.4 Å²	47.4	51.1 Å²	51.1	22%	0.221	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-36.9	173.1	-74.8	173	5.1	0	0	112.2	L1830 V1901 I1902 Q1908 K1909	L1830-Q1905 HydrophobicContact CD2-CB 3.99Å; L1830-Q1905 HydrophobicContact CD2-CG 4.35Å; L1830-Q1905 VanDerWaalsContact CD2-OE1 3.31Å; V1901-Q1905 WeakPolarHBondContact O-CB 3.35Å; V1901-Q1905 VanDerWaalsContact O-CG 3.27Å; V1901-Q1905 WeakPolarHBondContact O-CG 3.46Å; V1901-Q1905 PolarHBondContact O-N 3.05Å; I1902-Q1905 PolarHBondContact O-N 3.31Å; Q1905-Q1908 PolarHBondContact O-N 3.22Å; Q1905-K1909 WeakPolarHBondContact O-CB 3.42Å; Q1905-K1909 VanDerWaalsContact O-CG 3.25Å; Q1905-K1909 WeakPolarHBondContact O-CG 3.3Å; Q1905-K1909 PolarHBondContact O-N 3.01Å; Q1905-K1909 VanDerWaalsContact O-N 3.17Å
1906	I	80.8	Confident	73.3	Confident	22.8 Å²	22.8	56 Å²	56	12%	0.117	31%	0.312	C	S	.	.	H	α-helix	trans	-66.2	-48.1	172.5	-66.8	165.9	0	0	0	110.1	V1778 L1781 F1827 I1902 C1903 D1904 Q1908 K1909 T1910 I1924	V1778-I1906 HydrophobicContact CG2-CD1 4.01Å; L1781-I1906 HydrophobicContact CD1-CD1 3.93Å; F1827-I1906 HydrophobicContact CE1-CG1 4.45Å; F1827-I1906 HydrophobicContact CZ-CG1 4.45Å; I1902-I1906 HydrophobicContact CG2-CD1 3.99Å; I1902-I1906 HydrophobicContact CG2-CG1 4.49Å; I1902-I1906 VanDerWaalsContact O-CG1 3.31Å; I1902-I1906 WeakPolarHBondContact O-CG1 3.37Å; I1902-I1906 PolarHBondContact O-N 3.15Å; C1903-I1906 WeakPolarHBondContact O-CB 3.33Å; C1903-I1906 PolarHBondContact O-N 3.01Å; D1904-I1906 VanDerWaalsContact C-N 3.31Å; D1904-I1906 PolarHBondContact O-N 3.12Å; I1906-Q1908 VanDerWaalsContact C-N 3.3Å; I1906-Q1908 PolarHBondContact O-N 3.18Å; I1906-K1909 PolarHBondContact O-N 3.26Å; I1906-K1909 VanDerWaalsContact O-N 3.12Å; I1906-T1910 WeakPolarHBondContact O-CB 3.47Å; I1906-T1910 PolarHBondContact O-N 3.06Å; I1906-T1910 PolarHBondContact O-OG1 3.22Å; I1906-T1910 VanDerWaalsContact O-OG1 3.06Å; I1906-I1924 HydrophobicContact CG2-CD1 3.95Å
1907	N	81.9	Confident	71.3	Confident	3.2 Å²	3.2	59.2 Å²	59.2	2%	0.017	34%	0.335	C	S	.	.	H	α-helix	trans	-61	-30.3	177.2	-70.4	-30.2	0	0	0	113.2	C1903 D1904 T1910 K1911 Q1923 I1924	C1903-N1907 WeakPolarHBondContact O-CB 3.21Å; C1903-N1907 VanDerWaalsContact O-CG 3.24Å; C1903-N1907 PolarHBondContact O-N 3.15Å; C1903-N1907 PolarHBondContact O-ND2 3.27Å; D1904-N1907 CarbonylContact O-C 3.54Å; D1904-N1907 WeakPolarHBondContact O-CB 3.32Å; D1904-N1907 PolarHBondContact O-N 3.12Å; D1904-N1907 VanDerWaalsContact O-N 3.13Å; D1904-N1907 PolarHBondContact OD1-ND2 3.44Å; N1907-T1910 PolarHBondContact O-OG1 3.29Å; N1907-K1911 WeakPolarHBondContact O-CD 3.33Å; N1907-K1911 VanDerWaalsContact O-CE 3.3Å; N1907-K1911 WeakPolarHBondContact O-CE 3.41Å; N1907-K1911 VanDerWaalsContact O-CG 3.28Å; N1907-K1911 WeakPolarHBondContact O-CG 3.33Å; N1907-K1911 PolarHBondContact O-N 3.01Å; N1907-Q1923 WeakPolarHBondContact OD1-CA 3.47Å; N1907-I1924 PolarHBondContact ND2-O 3.13Å; N1907-I1924 PolarHBondContact OD1-N 3.26Å; N1907-I1924 PolarHBondContact OD1-O 2.92Å
1908	Q	78.8	Confident	69.3	Low	117 Å²	117	62.7 Å²	62.7	55%	0.547	37%	0.366	S	S	.	.	H	α-helix	trans	-77.7	-41.3	174.7	-72.6	173.2	27.2	0	0	112.1	D1904 Q1905 I1906 T1910 K1911 S1912	D1904-Q1908 WeakPolarHBondContact O-CB 3.38Å; D1904-Q1908 VanDerWaalsContact O-CG 3.25Å; D1904-Q1908 WeakPolarHBondContact O-CG 3.38Å; D1904-Q1908 PolarHBondContact O-N 3.15Å; Q1905-Q1908 PolarHBondContact O-N 3.22Å; I1906-Q1908 VanDerWaalsContact C-N 3.3Å; I1906-Q1908 PolarHBondContact O-N 3.18Å; Q1908-T1910 VanDerWaalsContact C-N 3.27Å; Q1908-T1910 PolarHBondContact O-N 3.45Å; Q1908-K1911 WeakPolarHBondContact O-CA 3.47Å; Q1908-K1911 WeakPolarHBondContact O-CB 3.44Å; Q1908-K1911 PolarHBondContact O-N 3.19Å; Q1908-K1911 VanDerWaalsContact O-N 3.13Å; Q1908-S1912 PolarHBondContact O-N 3.25Å; Q1908-S1912 PolarHBondContact O-OG 2.99Å
1909	K	70.9	Confident	67.4	Low	70.4 Å²	70.4	63 Å²	63	31%	0.306	38%	0.383	S	S	.	.	H	α-helix	trans	-67.3	-35.5	178	-74.1	-173.7	175.1	-165.9	0	112.4	L1826 S1829 L1830 Q1905 I1906 K1911 S1912 S1913	L1826-K1909 HydrophobicContact CD2-CD 4.08Å; L1826-K1909 HydrophobicContact CG-CD 4.44Å; L1826-K1909 PolarHBondContact O-NZ 3.12Å; S1829-K1909 PolarHBondContact OG-NZ 3.04Å; L1830-K1909 HydrophobicContact CD1-CD 4.32Å; L1830-K1909 HydrophobicContact CD2-CD 4.02Å; L1830-K1909 VanDerWaalsContact CD2-CE 3.42Å; L1830-K1909 VanDerWaalsContact CD2-NZ 3.29Å; L1830-K1909 HydrophobicContact CG-CD 4.29Å; L1830-K1909 VanDerWaalsContact CG-NZ 3.31Å; Q1905-K1909 WeakPolarHBondContact O-CB 3.42Å; Q1905-K1909 VanDerWaalsContact O-CG 3.25Å; Q1905-K1909 WeakPolarHBondContact O-CG 3.3Å; Q1905-K1909 PolarHBondContact O-N 3.01Å; Q1905-K1909 VanDerWaalsContact O-N 3.17Å; I1906-K1909 PolarHBondContact O-N 3.26Å; I1906-K1909 VanDerWaalsContact O-N 3.12Å; K1909-K1911 VanDerWaalsContact C-N 3.26Å; K1909-K1911 PolarHBondContact O-N 3.18Å; K1909-K1911 VanDerWaalsContact O-N 3.14Å; K1909-S1912 WeakPolarHBondContact CA-OG 3.33Å; K1909-S1912 PolarHBondContact O-N 3.18Å; K1909-S1912 VanDerWaalsContact O-N 3.09Å; K1909-S1912 PolarHBondContact O-OG 3.19Å; K1909-S1913 PolarHBondContact O-N 3.09Å; K1909-S1913 VanDerWaalsContact O-N 3.1Å; K1909-S1913 PolarHBondContact O-OG 3.09Å
1910	T	66.4	Low	65.3	Low	43.4 Å²	43.4	65.5 Å²	65.5	27%	0.266	40%	0.399	S	S	.	.	H	α-helix	trans	-65.8	-20.9	171.2	-37.5	0	0	0	0	113.3	I1906 N1907 Q1908 S1913	I1906-T1910 WeakPolarHBondContact O-CB 3.47Å; I1906-T1910 PolarHBondContact O-N 3.06Å; I1906-T1910 PolarHBondContact O-OG1 3.22Å; I1906-T1910 VanDerWaalsContact O-OG1 3.06Å; N1907-T1910 PolarHBondContact O-OG1 3.29Å; Q1908-T1910 VanDerWaalsContact C-N 3.27Å; Q1908-T1910 PolarHBondContact O-N 3.45Å; T1910-S1913 PolarHBondContact O-OG 3Å
1911	K	63.1	Low	63.8	Low	136.4 Å²	136.4	67.8 Å²	67.8	59%	0.593	42%	0.415	S	S	*	.	H	α-helix	trans	-89.6	-19	175.1	-69.3	168.2	-172.1	173.1	0	113.9	N1907 Q1908 K1909	N1907-K1911 WeakPolarHBondContact O-CD 3.33Å; N1907-K1911 VanDerWaalsContact O-CE 3.3Å; N1907-K1911 WeakPolarHBondContact O-CE 3.41Å; N1907-K1911 VanDerWaalsContact O-CG 3.28Å; N1907-K1911 WeakPolarHBondContact O-CG 3.33Å; N1907-K1911 PolarHBondContact O-N 3.01Å; Q1908-K1911 WeakPolarHBondContact O-CA 3.47Å; Q1908-K1911 WeakPolarHBondContact O-CB 3.44Å; Q1908-K1911 PolarHBondContact O-N 3.19Å; Q1908-K1911 VanDerWaalsContact O-N 3.13Å; K1909-K1911 VanDerWaalsContact C-N 3.26Å; K1909-K1911 PolarHBondContact O-N 3.18Å; K1909-K1911 VanDerWaalsContact O-N 3.14Å
1912	S	59	Low	62.9	Low	93.8 Å²	93.8	67.3 Å²	67.3	66%	0.656	41%	0.409	S	S	*	.	H	α-helix	trans	-105.7	-12.9	-175.8	50.5	0	0	0	0	114.3	Q1908 K1909 S1914	Q1908-S1912 PolarHBondContact O-N 3.25Å; Q1908-S1912 PolarHBondContact O-OG 2.99Å; K1909-S1912 WeakPolarHBondContact CA-OG 3.33Å; K1909-S1912 PolarHBondContact O-N 3.18Å; K1909-S1912 VanDerWaalsContact O-N 3.09Å; K1909-S1912 PolarHBondContact O-OG 3.19Å; S1912-S1914 PolarHBondContact O-N 3.06Å; S1912-S1914 VanDerWaalsContact O-N 3.15Å
1913	S	55.1	Low	62.4	Low	74 Å²	74	68.3 Å²	68.3	52%	0.517	41%	0.414	S	S	.	.	S	Bend	trans	-70.7	114.4	168.1	43.7	0	0	0	0	111.1	K1909 T1910	K1909-S1913 PolarHBondContact O-N 3.09Å; K1909-S1913 VanDerWaalsContact O-N 3.1Å; K1909-S1913 PolarHBondContact O-OG 3.09Å; T1910-S1913 PolarHBondContact O-OG 3Å
1914	S	42.1	Very low	62.2	Low	70.8 Å²	70.8	68.4 Å²	68.4	50%	0.495	41%	0.414	S	S	.	.			trans	-27.7	137.5	-179.9	-176.7	0	0	0	0	116	S1912 S1916	S1912-S1914 PolarHBondContact O-N 3.06Å; S1912-S1914 VanDerWaalsContact O-N 3.15Å; S1914-S1916 PolarHBondContact O-N 3.16Å; S1914-S1916 PolarHBondContact OG-OG 3.02Å
1915	P	51.2	Low	62.1	Low	141.8 Å²	141.8	67.8 Å²	67.8	92%	0.921	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	20.7	-178.3	32.3	-38.8	0	0	0	115.1
1916	S	47.2	Very low	62.3	Low	103 Å²	103	65.6 Å²	65.6	72%	0.72	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-6.2	-173.8	53.6	0	0	0	0	114.6	S1914	S1914-S1916 PolarHBondContact O-N 3.16Å; S1914-S1916 PolarHBondContact OG-OG 3.02Å
1917	S	46	Very low	62.6	Low	72.2 Å²	72.2	65.5 Å²	65.5	51%	0.505	40%	0.399	S	S	.	.	S	Bend	trans	-112.9	121.6	173.7	53.8	0	0	0	0	110.9	S1919	S1917-S1919 PolarHBondContact O-N 3.1Å
1918	S	39.5	Very low	62.8	Low	133.6 Å²	133.6	65.4 Å²	65.4	93%	0.934	40%	0.398	S	S	*	.			trans	-72.8	19	-170.1	52.5	0	0	0	0	116.1	C1920	S1918-C1920 PolarHBondContact O-N 3.2Å
1919	S	43.9	Very low	63.2	Low	98.6 Å²	98.6	59.8 Å²	59.8	69%	0.69	37%	0.372	S	S	*	.	S	Bend	trans	-77.4	108.3	175.9	-17.9	0	0	0	0	110.6	S1917 S1921	S1917-S1919 PolarHBondContact O-N 3.1Å; S1919-S1921 PolarHBondContact O-N 3.11Å
1920	C	42.7	Very low	64.1	Low	51.6 Å²	51.6	56.8 Å²	56.8	35%	0.349	36%	0.359	S	S	.	.			trans	-39.5	123.9	-177.1	179.5	0	0	0	0	113.7	S1725 S1918 R1922	S1725-C1920 PolarHBondContact O-SG 3.21Å; S1918-C1920 PolarHBondContact O-N 3.2Å; C1920-R1922 HydrophobicContact CB-CG 4.26Å; C1920-R1922 PolarHBondContact O-N 3.06Å; C1920-R1922 VanDerWaalsContact SG-CG 3.57Å
1921	S	54.5	Low	65.2	Low	50.8 Å²	50.8	54.9 Å²	54.9	36%	0.355	35%	0.348	S	S	.	.			trans	-70.7	70.2	178.5	125.6	0	0	0	0	112	S1725 S1919	S1725-S1921 WeakPolarHBondContact CB-O 3.3Å; S1725-S1921 PolarHBondContact N-O 3.33Å; S1725-S1921 PolarHBondContact OG-N 3.32Å; S1725-S1921 PolarHBondContact OG-O 3.19Å; S1725-S1921 VanDerWaalsContact OG-O 3.06Å; S1919-S1921 PolarHBondContact O-N 3.11Å
1922	R	64.4	Low	66.3	Low	27.4 Å²	27.4	48.5 Å²	48.5	10%	0.103	32%	0.32	C	S	.	.			trans	-73.5	136.5	-179.4	-70.8	-175.4	-178.4	108.3	1.2	111	V1722 I1723 E1767 R1771 L1774 C1920	V1722-R1922 HydrophobicContact CG1-CB 4.13Å; V1722-R1922 HydrophobicContact CG1-CG 3.75Å; I1723-R1922 WeakPolarHBondContact O-CA 3.36Å; I1723-R1922 WeakPolarHBondContact O-CG 3.48Å; E1767-R1922 IonicContact OE1-CZ 3.25Å; E1767-R1922 VanDerWaalsContact OE1-CZ 3.24Å; E1767-R1922 IonicContact OE1-NE 3.83Å; E1767-R1922 PolarHBondContact OE1-NE 3.2Å; E1767-R1922 IonicContact OE1-NH1 2.74Å; E1767-R1922 PolarHBondContact OE1-NH1 3Å; E1767-R1922 IonicContact OE1-NH2 3.07Å; E1767-R1922 PolarHBondContact OE1-NH2 3.34Å; R1771-R1922 VanDerWaalsContact NE-NH2 3.16Å; L1774-R1922 HydrophobicContact CD2-CB 4.04Å; L1774-R1922 HydrophobicContact CD2-CG 4.36Å; C1920-R1922 HydrophobicContact CB-CG 4.26Å; C1920-R1922 PolarHBondContact O-N 3.06Å; C1920-R1922 VanDerWaalsContact SG-CG 3.57Å
1923	Q	74.1	Confident	67.6	Low	44.4 Å²	44.4	44.1 Å²	44.1	21%	0.207	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.2	178.2	-65.4	176.1	-2	0	0	109.7	V1722 I1723 N1907 Y1925	V1722-Q1923 WeakPolarHBondContact CA-O 3.29Å; I1723-Q1923 PolarHBondContact N-O 3.11Å; I1723-Q1923 PolarHBondContact O-N 3.28Å; N1907-Q1923 WeakPolarHBondContact OD1-CA 3.47Å; Q1923-Y1925 HydrophobicContact CB-CD2 4.45Å; Q1923-Y1925 HydrophobicContact CB-CE2 3.63Å; Q1923-Y1925 VanDerWaalsContact CB-CE2 3.5Å; Q1923-Y1925 PolarHBondContact OE1-OH 2.78Å; Q1923-Y1925 VanDerWaalsContact OE1-OH 3.13Å
1924	I	79.8	Confident	69	Low	1.8 Å²	1.8	43.4 Å²	43.4	1%	0.009	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	114.6	-172.8	-47.5	-176.9	0	0	0	109	F1720 V1722 L1774 V1778 I1906 N1907 H1973	F1720-I1924 HydrophobicContact CD1-CG2 4.39Å; V1722-I1924 HydrophobicContact CG2-CG2 4.46Å; L1774-I1924 HydrophobicContact CD1-CD1 3.94Å; L1774-I1924 HydrophobicContact CD2-CD1 3.85Å; L1774-I1924 HydrophobicContact CD2-CG1 4.24Å; L1774-I1924 HydrophobicContact CG-CD1 3.75Å; V1778-I1924 HydrophobicContact CG2-CD1 3.57Å; I1906-I1924 HydrophobicContact CG2-CD1 3.95Å; N1907-I1924 PolarHBondContact ND2-O 3.13Å; N1907-I1924 PolarHBondContact OD1-N 3.26Å; N1907-I1924 PolarHBondContact OD1-O 2.92Å; I1924-H1973 PolarHBondContact O-CE1 3.21Å
1925	Y	82.8	Confident	71.1	Confident	19.4 Å²	19.4	40.3 Å²	40.3	8%	0.076	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	148.1	178.1	-64.7	-71.3	0	0	0	111	I1721 I1723 Q1923 G1970 S1971 Q1972 H1973	I1721-Y1925 PolarHBondContact N-O 3.11Å; I1721-Y1925 PolarHBondContact O-N 3.27Å; I1723-Y1925 HydrophobicContact CD1-CD2 3.83Å; I1723-Y1925 HydrophobicContact CD1-CE2 4.06Å; I1723-Y1925 HydrophobicContact CG1-CD2 4.17Å; I1723-Y1925 HydrophobicContact CG1-CE2 4.45Å; Q1923-Y1925 HydrophobicContact CB-CD2 4.45Å; Q1923-Y1925 HydrophobicContact CB-CE2 3.63Å; Q1923-Y1925 VanDerWaalsContact CB-CE2 3.5Å; Q1923-Y1925 PolarHBondContact OE1-OH 2.78Å; Q1923-Y1925 VanDerWaalsContact OE1-OH 3.13Å; Y1925-G1970 WeakPolarHBondContact CD2-O 3.4Å; Y1925-S1971 WeakPolarHBondContact CE1-O 3.35Å; Y1925-S1971 VanDerWaalsContact CZ-C 3.46Å; Y1925-S1971 VanDerWaalsContact CZ-CA 3.45Å; Y1925-S1971 VanDerWaalsContact OH-CB 3.31Å; Y1925-S1971 WeakPolarHBondContact OH-CB 3.43Å; Y1925-S1971 PolarHBondContact OH-O 3.38Å; Y1925-Q1972 WeakPolarHBondContact CD1-O 3.47Å; Y1925-H1973 AromaticContact CD1-NE2 3.87Å
1926	V	85.1	Confident	72.8	Confident	1.4 Å²	1.4	37.6 Å²	37.6	1%	0.008	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123	-174.2	-177.9	0	0	0	0	108.6	I1718 F1720 V1899 I1900 C1903 A1928 H1973 F1974	I1718-V1926 HydrophobicContact CG2-CG1 3.59Å; F1720-V1926 HydrophobicContact CD1-CG2 4.29Å; F1720-V1926 HydrophobicContact CE1-CG2 4.23Å; V1899-V1926 HydrophobicContact CG1-CG1 4.42Å; V1899-V1926 HydrophobicContact CG1-CG2 4.48Å; I1900-V1926 HydrophobicContact CG1-CB 4.39Å; I1900-V1926 HydrophobicContact CG1-CG1 4.33Å; C1903-V1926 HydrophobicContact CB-CG2 3.81Å; C1903-V1926 WeakPolarHBondContact SG-CG2 3.33Å; V1926-A1928 HydrophobicContact CG1-CB 4.41Å; V1926-H1973 WeakPolarHBondContact CB-ND1 3.37Å; V1926-H1973 WeakPolarHBondContact CG2-ND1 3.33Å; V1926-H1973 PolarHBondContact N-ND1 3.2Å; V1926-H1973 VanDerWaalsContact N-ND1 3.14Å; V1926-H1973 CarbonylContact O-C 3.53Å; V1926-H1973 WeakPolarHBondContact O-CA 3.32Å; V1926-F1974 PolarHBondContact O-N 3.04Å
1927	Q	85.5	Confident	74.7	Confident	20.2 Å²	20.2	32.7 Å²	32.7	9%	0.094	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	108	169.5	-137.9	-167.9	1.4	0	0	107.7	N1719 I1721 L1961 H1964 F1974 L1976	N1719-Q1927 HydrophobicContact CB-CB 4.23Å; N1719-Q1927 PolarHBondContact N-O 3.17Å; N1719-Q1927 PolarHBondContact ND2-OE1 3.13Å; N1719-Q1927 WeakPolarHBondContact O-CB 3.25Å; N1719-Q1927 PolarHBondContact O-N 3.04Å; I1721-Q1927 HydrophobicContact CD1-CB 4.3Å; I1721-Q1927 VanDerWaalsContact CD1-CD 3.47Å; I1721-Q1927 HydrophobicContact CG1-CG 4.42Å; Q1927-L1961 HydrophobicContact CB-CD2 4.21Å; Q1927-L1961 VanDerWaalsContact CD-CD2 3.49Å; Q1927-L1961 HydrophobicContact CG-CD2 3.6Å; Q1927-L1961 HydrophobicContact CG-CG 4.38Å; Q1927-L1961 PolarHBondContact NE2-O 3.12Å; Q1927-L1961 VanDerWaalsContact NE2-O 3.14Å; Q1927-H1964 PolarHBondContact NE2-ND1 3.46Å; Q1927-F1974 WeakPolarHBondContact CA-O 3.37Å; Q1927-F1974 HydrophobicContact CB-CD1 4.41Å; Q1927-F1974 HydrophobicContact CB-CD2 4.03Å; Q1927-F1974 HydrophobicContact CB-CE1 3.98Å; Q1927-F1974 HydrophobicContact CB-CE2 3.51Å; Q1927-F1974 HydrophobicContact CB-CG 4.45Å; Q1927-F1974 HydrophobicContact CB-CZ 3.5Å; Q1927-F1974 VanDerWaalsContact CB-CZ 3.5Å; Q1927-F1974 VanDerWaalsContact CD-CZ 3.46Å; Q1927-F1974 HydrophobicContact CG-CB 4.48Å; Q1927-F1974 HydrophobicContact CG-CD1 3.81Å; Q1927-F1974 HydrophobicContact CG-CD2 4.31Å; Q1927-F1974 HydrophobicContact CG-CE1 3.44Å; Q1927-F1974 VanDerWaalsContact CG-CE1 3.44Å; Q1927-F1974 HydrophobicContact CG-CE2 3.94Å; Q1927-F1974 HydrophobicContact CG-CG 4.25Å; Q1927-F1974 HydrophobicContact CG-CZ 3.51Å; Q1927-L1976 HydrophobicContact CG-CD1 4.16Å
1928	A	87.1	Confident	76.5	Confident	0.4 Å²	0.4	29.4 Å²	29.4	0%	0.003	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.1	-179.4	0	0	0	0	0	111.3	V1716 L1717 I1718 I1896 V1926 L1930 F1974 I1975 L1976	V1716-A1928 HydrophobicContact CG1-CB 4.45Å; L1717-A1928 CarbonylContact O-C 3.55Å; L1717-A1928 VanDerWaalsContact O-CA 3.32Å; L1717-A1928 WeakPolarHBondContact O-CA 3.4Å; I1718-A1928 HydrophobicContact CG1-CB 4.5Å; I1896-A1928 HydrophobicContact CD1-CB 4.36Å; I1896-A1928 HydrophobicContact CG2-CB 4.18Å; V1926-A1928 HydrophobicContact CG1-CB 4.41Å; A1928-L1930 HydrophobicContact CB-CD1 4.3Å; A1928-F1974 PolarHBondContact N-O 3.3Å; A1928-I1975 HydrophobicContact CB-CG1 4.46Å; A1928-I1975 HydrophobicContact CB-CG2 4.34Å; A1928-I1975 CarbonylContact O-C 3.56Å; A1928-I1975 WeakPolarHBondContact O-CA 3.37Å; A1928-L1976 PolarHBondContact O-N 3.11Å
1929	A	87.9	Confident	78.6	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.6	169	0	0	0	0	0	111.1	V1716 L1717 C1957 L1960 L1961 L1976	V1716-A1929 CarbonylContact C-O 3.41Å; V1716-A1929 WeakPolarHBondContact CA-O 3.3Å; L1717-A1929 PolarHBondContact N-O 3.03Å; L1717-A1929 PolarHBondContact O-N 3.24Å; A1929-C1957 HydrophobicContact CB-CB 4.18Å; A1929-L1960 HydrophobicContact CB-CB 3.88Å; A1929-L1960 HydrophobicContact CB-CD1 4.16Å; A1929-L1961 HydrophobicContact CB-CD1 4.16Å; A1929-L1961 HydrophobicContact CB-CD2 3.94Å; A1929-L1961 HydrophobicContact CB-CG 3.77Å; A1929-L1976 CarbonylContact C-O 3.57Å; A1929-L1976 VanDerWaalsContact CA-O 3.25Å; A1929-L1976 WeakPolarHBondContact CA-O 3.4Å; A1929-L1976 HydrophobicContact CB-CB 4.33Å
1930	L	89.2	Confident	80.2	Confident	7.4 Å²	7.4	23.6 Å²	23.6	4%	0.039	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.4	-176.7	-63.4	85.9	0	0	0	111.4	L1715 V1716 L1892 I1896 A1928 C1957 I1975 L1976 A1977 T1978 L1981	L1715-L1930 WeakPolarHBondContact O-CA 3.28Å; V1716-L1930 HydrophobicContact CG2-CD2 4.08Å; V1716-L1930 HydrophobicContact CG2-CG 4.09Å; L1892-L1930 HydrophobicContact CD2-CB 4.44Å; L1892-L1930 HydrophobicContact CD2-CD2 3.63Å; L1892-L1930 VanDerWaalsContact CD2-CD2 3.49Å; L1892-L1930 HydrophobicContact CD2-CG 3.89Å; L1892-L1930 HydrophobicContact CG-CD2 3.98Å; I1896-L1930 HydrophobicContact CD1-CD1 3.56Å; I1896-L1930 VanDerWaalsContact CD1-CD1 3.48Å; I1896-L1930 HydrophobicContact CD1-CD2 3.66Å; I1896-L1930 HydrophobicContact CD1-CG 3.58Å; A1928-L1930 HydrophobicContact CB-CD1 4.3Å; L1930-C1957 VanDerWaalsContact C-SG 3.56Å; L1930-I1975 HydrophobicContact CD1-CG2 3.61Å; L1930-I1975 VanDerWaalsContact CD1-CG2 3.45Å; L1930-I1975 HydrophobicContact CD2-CG2 4.42Å; L1930-L1976 WeakPolarHBondContact CD1-O 3.36Å; L1930-L1976 PolarHBondContact N-O 3.02Å; L1930-A1977 HydrophobicContact CB-CB 4.23Å; L1930-A1977 HydrophobicContact CD1-CB 4.22Å; L1930-A1977 HydrophobicContact CD2-CB 4.44Å; L1930-T1978 PolarHBondContact O-N 3.29Å; L1930-T1978 PolarHBondContact O-OG1 3.08Å; L1930-L1981 HydrophobicContact CB-CD1 4.18Å; L1930-L1981 HydrophobicContact CB-CD2 3.53Å; L1930-L1981 VanDerWaalsContact CB-CD2 3.44Å; L1930-L1981 HydrophobicContact CD1-CD2 4.35Å; L1930-L1981 HydrophobicContact CD2-CD1 4.19Å; L1930-L1981 HydrophobicContact CD2-CD2 3.78Å; L1930-L1981 HydrophobicContact CG-CD2 4.22Å
1931	H	88.4	Confident	81.7	Confident	4.6 Å²	4.6	24.3 Å²	24.3	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.5	171.7	-169.3	72.2	0	0	0	112.3	G1714 L1715 E1952 T1956 C1957 T1978 K1980	G1714-H1931 WeakPolarHBondContact CA-O 3.42Å; L1715-H1931 PolarHBondContact N-O 3.19Å; L1715-H1931 PolarHBondContact O-N 2.94Å; L1715-H1931 VanDerWaalsContact O-N 3.12Å; H1931-E1952 IonicContact CE1-OE1 2.65Å; H1931-E1952 IonicContact NE2-OE1 3.56Å; H1931-E1952 IonicContact NE2-OE2 3.1Å; H1931-T1956 HydrophobicContact CB-CG2 4.39Å; H1931-C1957 VanDerWaalsContact CB-SG 3.56Å; H1931-C1957 PolarHBondContact N-SG 3.17Å; H1931-C1957 VanDerWaalsContact N-SG 3.44Å; H1931-T1978 HydrophobicContact CB-CG2 4.44Å; H1931-T1978 VanDerWaalsContact ND1-CG2 3.32Å; H1931-T1978 WeakPolarHBondContact ND1-CG2 3.4Å; H1931-T1978 PolarHBondContact ND1-OG1 3.4Å; H1931-K1980 PolarHBondContact NE2-NZ 3.14Å; H1931-K1980 VanDerWaalsContact NE2-NZ 3.18Å
1932	S	87.7	Confident	82.5	Confident	1.8 Å²	1.8	26.5 Å²	26.5	1%	0.013	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.9	174.2	174.1	0	0	0	0	110.9	I1713 W1889 K1980 L1984	I1713-S1932 VanDerWaalsContact O-CA 3.31Å; I1713-S1932 WeakPolarHBondContact O-CA 3.45Å; W1889-S1932 VanDerWaalsContact CH2-CB 3.46Å; W1889-S1932 WeakPolarHBondContact CH2-OG 3.43Å; W1889-S1932 WeakPolarHBondContact CZ2-OG 3.35Å; W1889-S1932 VanDerWaalsContact CZ3-CB 3.5Å; W1889-S1932 WeakPolarHBondContact CZ3-OG 3.25Å; S1932-K1980 VanDerWaalsContact O-CD 3.3Å; S1932-K1980 WeakPolarHBondContact O-CD 3.38Å; S1932-K1980 WeakPolarHBondContact O-CE 3.35Å; S1932-K1980 PolarHBondContact O-NZ 3.07Å; S1932-K1980 VanDerWaalsContact O-NZ 3.13Å; S1932-L1984 VanDerWaalsContact OG-CD1 3.26Å; S1932-L1984 WeakPolarHBondContact OG-CD1 3.36Å
1933	G	84.8	Confident	82.8	Confident	1.6 Å²	1.6	31.4 Å²	31.4	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177	-173.9	177.6	0	0	0	0	0	114.9	N1712 I1713	N1712-G1933 PolarHBondContact N-O 3.09Å; I1713-G1933 PolarHBondContact N-O 3.17Å; I1713-G1933 PolarHBondContact O-N 3.27Å; I1713-G1933 VanDerWaalsContact O-N 3.12Å
1934	S	85.5	Confident	82.7	Confident	59 Å²	59	34.9 Å²	34.9	41%	0.413	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	141.6	179.2	-60.7	0	0	0	0	111	H1710 P1953	H1710-S1934 WeakPolarHBondContact O-CA 3.45Å; S1934-P1953 VanDerWaalsContact O-CD 3.27Å; S1934-P1953 WeakPolarHBondContact O-CD 3.4Å
1935	C	86.7	Confident	82.4	Confident	5.2 Å²	5.2	38.1 Å²	38.1	4%	0.035	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	165.8	-173	56.5	0	0	0	0	112.5	S1709 H1710 I1713 F1937 L1949 W1950 P1953	S1709-C1935 WeakPolarHBondContact CA-O 3.3Å; H1710-C1935 PolarHBondContact N-O 3.43Å; H1710-C1935 PolarHBondContact O-N 3.14Å; H1710-C1935 VanDerWaalsContact O-O 3.12Å; I1713-C1935 WeakPolarHBondContact CD1-SG 3.3Å; I1713-C1935 VanDerWaalsContact CG1-SG 3.54Å; C1935-F1937 VanDerWaalsContact SG-CE2 3.57Å; C1935-F1937 WeakPolarHBondContact SG-CE2 3.18Å; C1935-L1949 HydrophobicContact CB-CD1 3.64Å; C1935-L1949 VanDerWaalsContact CB-CD1 3.47Å; C1935-L1949 HydrophobicContact CB-CD2 4.12Å; C1935-L1949 HydrophobicContact CB-CG 4.14Å; C1935-L1949 WeakPolarHBondContact SG-CD1 3.45Å; C1935-W1950 CarbonylContact C-O 3.56Å; C1935-W1950 WeakPolarHBondContact CA-O 3.41Å; C1935-W1950 VanDerWaalsContact CB-O 3.25Å; C1935-W1950 WeakPolarHBondContact CB-O 3.33Å; C1935-P1953 HydrophobicContact CB-CG 4.17Å
1936	I	86.9	Confident	82.2	Confident	84.4 Å²	84.4	41 Å²	41	43%	0.433	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.9	-176.8	-56.8	174.4	0	0	0	109	L1949 W1950	I1936-L1949 WeakPolarHBondContact O-CA 3.29Å; I1936-L1949 WeakPolarHBondContact O-CD1 3.44Å; I1936-W1950 HydrophobicContact CG2-CE3 4.48Å; I1936-W1950 PolarHBondContact N-O 2.99Å; I1936-W1950 PolarHBondContact O-N 3.18Å
1937	F	86.1	Confident	82	Confident	0.2 Å²	0.2	41.8 Å²	41.8	0%	0.001	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	137.3	171.8	-69.6	-90.9	0	0	0	110.1	S1707 K1708 H1710 I1713 V1852 A1862 L1865 C1935 F1947 T1948 L1949	S1707-F1937 CarbonylContact C-O 3.57Å; S1707-F1937 VanDerWaalsContact CA-O 3.27Å; S1707-F1937 WeakPolarHBondContact CA-O 3.29Å; K1708-F1937 PolarHBondContact N-O 3.37Å; K1708-F1937 PolarHBondContact O-N 3.25Å; H1710-F1937 HydrophobicContact CB-CD2 4.4Å; H1710-F1937 HydrophobicContact CB-CE2 4.29Å; H1710-F1937 AromaticContact CD2-CD2 3.88Å; I1713-F1937 HydrophobicContact CD1-CD2 4.29Å; I1713-F1937 HydrophobicContact CD1-CE2 3.69Å; I1713-F1937 VanDerWaalsContact CD1-CE2 3.43Å; I1713-F1937 HydrophobicContact CD1-CZ 4Å; I1713-F1937 HydrophobicContact CG1-CE2 4.02Å; I1713-F1937 HydrophobicContact CG1-CZ 4.39Å; I1713-F1937 HydrophobicContact CG2-CZ 4.31Å; V1852-F1937 HydrophobicContact CB-CE1 4.36Å; V1852-F1937 HydrophobicContact CG1-CD1 4.48Å; V1852-F1937 HydrophobicContact CG1-CE1 3.69Å; V1852-F1937 HydrophobicContact CG1-CZ 4.25Å; V1852-F1937 HydrophobicContact CG2-CE1 3.7Å; V1852-F1937 HydrophobicContact CG2-CZ 4.37Å; A1862-F1937 HydrophobicContact CB-CZ 4.43Å; L1865-F1937 HydrophobicContact CD1-CD1 4.48Å; L1865-F1937 HydrophobicContact CD1-CE1 3.84Å; L1865-F1937 HydrophobicContact CD1-CE2 4.41Å; L1865-F1937 HydrophobicContact CD1-CZ 3.75Å; L1865-F1937 HydrophobicContact CD2-CD1 4.38Å; L1865-F1937 HydrophobicContact CD2-CD2 3.82Å; L1865-F1937 HydrophobicContact CD2-CE1 4.22Å; L1865-F1937 HydrophobicContact CD2-CE2 3.6Å; L1865-F1937 VanDerWaalsContact CD2-CE2 3.46Å; L1865-F1937 HydrophobicContact CD2-CG 4.24Å; L1865-F1937 HydrophobicContact CD2-CZ 3.8Å; L1865-F1937 HydrophobicContact CG-CE1 4.4Å; L1865-F1937 HydrophobicContact CG-CE2 4.24Å; L1865-F1937 HydrophobicContact CG-CZ 4.03Å; C1935-F1937 VanDerWaalsContact SG-CE2 3.57Å; C1935-F1937 WeakPolarHBondContact SG-CE2 3.18Å; F1937-F1947 HydrophobicContact CB-CE2 4.16Å; F1937-F1947 HydrophobicContact CB-CZ 3.92Å; F1937-F1947 AromaticContact CD1-CE1 3.92Å; F1937-F1947 HydrophobicContact CD1-CE1 3.94Å; F1937-F1947 AromaticContact CD1-CZ 3.73Å; F1937-F1947 HydrophobicContact CD1-CZ 3.73Å; F1937-F1947 HydrophobicContact CE1-CE1 4.49Å; F1937-F1947 AromaticContact CG-CZ 3.97Å; F1937-F1947 HydrophobicContact CG-CZ 4.19Å; F1937-T1948 WeakPolarHBondContact CA-O 3.33Å; F1937-L1949 HydrophobicContact CD1-CB 4.33Å; F1937-L1949 HydrophobicContact CD1-CD1 4.16Å; F1937-L1949 HydrophobicContact CD2-CD1 3.74Å; F1937-L1949 HydrophobicContact CE1-CB 4.01Å; F1937-L1949 HydrophobicContact CE1-CD1 3.77Å; F1937-L1949 HydrophobicContact CE1-CD2 4.2Å; F1937-L1949 HydrophobicContact CE1-CG 4.25Å; F1937-L1949 HydrophobicContact CE2-CD1 3.53Å; F1937-L1949 HydrophobicContact CE2-CG 4.42Å; F1937-L1949 HydrophobicContact CG-CD1 4.09Å; F1937-L1949 HydrophobicContact CZ-CB 4.36Å; F1937-L1949 HydrophobicContact CZ-CD1 3.48Å; F1937-L1949 HydrophobicContact CZ-CD2 3.98Å; F1937-L1949 HydrophobicContact CZ-CG 4.06Å
1938	G	83.9	Confident	81.9	Confident	4.4 Å²	4.4	42.1 Å²	42.1	5%	0.045	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172	-179.7	172.4	0	0	0	0	0	114	Y1706 F1947 T1948 W1950	Y1706-G1938 WeakPolarHBondContact O-CA 3.34Å; G1938-F1947 WeakPolarHBondContact O-CA 3.44Å; G1938-T1948 PolarHBondContact N-O 2.97Å; G1938-T1948 VanDerWaalsContact N-O 3.12Å; G1938-T1948 PolarHBondContact O-N 3.26Å; G1938-W1950 WeakPolarHBondContact O-CH2 3.37Å
1939	F	82.7	Confident	81.9	Confident	36.8 Å²	36.8	42.2 Å²	42.2	16%	0.161	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	142	172.4	-64.7	-91.9	0	0	0	111	V1688 V1692 I1696 Y1706 P1945 V1946 F1947	V1688-F1939 HydrophobicContact CB-CZ 4.46Å; V1688-F1939 HydrophobicContact CG1-CE1 4.45Å; V1688-F1939 HydrophobicContact CG1-CZ 3.76Å; V1688-F1939 HydrophobicContact CG2-CE1 3.75Å; V1688-F1939 HydrophobicContact CG2-CZ 3.87Å; V1692-F1939 HydrophobicContact CG1-CE2 3.57Å; V1692-F1939 VanDerWaalsContact CG1-CE2 3.5Å; V1692-F1939 HydrophobicContact CG1-CZ 3.86Å; I1696-F1939 HydrophobicContact CD1-CE2 3.72Å; I1696-F1939 HydrophobicContact CD1-CZ 3.91Å; Y1706-F1939 HydrophobicContact CD1-CD2 4.46Å; Y1706-F1939 HydrophobicContact CD1-CE2 4.3Å; Y1706-F1939 HydrophobicContact CG-CE2 4.43Å; Y1706-F1939 PolarHBondContact O-N 3.18Å; F1939-P1945 HydrophobicContact CB-CB 4.42Å; F1939-P1945 HydrophobicContact CD1-CB 4.02Å; F1939-V1946 WeakPolarHBondContact CA-O 3.4Å; F1939-F1947 HydrophobicContact CD1-CB 4.13Å; F1939-F1947 HydrophobicContact CD2-CD2 4.39Å; F1939-F1947 HydrophobicContact CE1-CB 3.81Å; F1939-F1947 HydrophobicContact CE1-CD2 4.25Å; F1939-F1947 HydrophobicContact CE1-CG 4.49Å; F1939-F1947 AromaticContact CE2-CD2 3.95Å; F1939-F1947 HydrophobicContact CE2-CD2 3.97Å; F1939-F1947 HydrophobicContact CZ-CB 4.27Å; F1939-F1947 AromaticContact CZ-CD2 3.91Å; F1939-F1947 HydrophobicContact CZ-CD2 3.91Å; F1939-F1947 HydrophobicContact CZ-CG 4.48Å
1940	V	78.7	Confident	81.8	Confident	73 Å²	73	48.3 Å²	48.3	44%	0.442	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.9	171.4	169.6	0	0	0	0	109.7	P1945 V1946 T1948 W1950	V1940-P1945 WeakPolarHBondContact O-CA 3.38Å; V1940-V1946 PolarHBondContact N-O 3.15Å; V1940-V1946 VanDerWaalsContact N-O 3.09Å; V1940-V1946 PolarHBondContact O-N 3.15Å; V1940-V1946 VanDerWaalsContact O-N 3.08Å; V1940-T1948 HydrophobicContact CG2-CG2 4.31Å; V1940-W1950 HydrophobicContact CB-CH2 4.2Å; V1940-W1950 HydrophobicContact CB-CZ2 4.17Å; V1940-W1950 HydrophobicContact CG1-CZ2 4.31Å; V1940-W1950 HydrophobicContact CG2-CH2 3.54Å; V1940-W1950 VanDerWaalsContact CG2-CH2 3.47Å; V1940-W1950 HydrophobicContact CG2-CZ2 3.61Å; V1940-W1950 VanDerWaalsContact CG2-NE1 3.31Å
1941	S	74.8	Confident	81.6	Confident	66.8 Å²	66.8	49.8 Å²	49.8	47%	0.467	28%	0.283	S	S	.	.			trans	71.9	142	-168.1	-171	0	0	0	0	114.8	Q1943 H1944 P1945	S1941-Q1943 PolarHBondContact OG-N 3.3Å; S1941-H1944 WeakPolarHBondContact CB-O 3.3Å; S1941-H1944 PolarHBondContact OG-N 3.07Å; S1941-P1945 WeakPolarHBondContact O-CA 3.36Å
1942	S	70	Confident	81.5	Confident	95.4 Å²	95.4	54.1 Å²	54.1	67%	0.667	30%	0.303	S	S	*	.	S	Bend	trans	-88.2	-30.3	173.3	53.1	0	0	0	0	112.7	L1027 L2446	L1027-S1942 WeakPolarHBondContact CD1-O 3.38Å; L1027-S1942 WeakPolarHBondContact CD2-O 3.44Å; S1942-L2446 VanDerWaalsContact O-CD1 3.24Å; S1942-L2446 WeakPolarHBondContact O-CD1 3.37Å; S1942-L2446 WeakPolarHBondContact O-CD2 3.28Å
1943	Q	70.1	Confident	81.4	Confident	130.4 Å²	130.4	54 Å²	54	61%	0.609	30%	0.303	S	S	*	.	S	Bend	trans	-84.5	-37.6	-177.2	-65.1	179.6	-16.2	0	0	112.1	S1941	S1941-Q1943 PolarHBondContact OG-N 3.3Å
1944	H	72.2	Confident	81.5	Confident	119.2 Å²	119.2	55 Å²	55	55%	0.552	31%	0.308	S	S	*	.	S	Bend	trans	-134.3	79.6	178.2	-66.2	-48.4	0	0	0	108.9	S1941 V1946 D2442	S1941-H1944 WeakPolarHBondContact CB-O 3.3Å; S1941-H1944 PolarHBondContact OG-N 3.07Å; H1944-V1946 WeakPolarHBondContact O-CG2 3.36Å; H1944-V1946 PolarHBondContact O-N 3.24Å; H1944-D2442 IonicContact CE1-OD1 3.47Å; H1944-D2442 PolarHBondContact CE1-OD1 2.93Å; H1944-D2442 VanDerWaalsContact CE1-OD1 3.28Å; H1944-D2442 IonicContact ND1-OD1 2.9Å
1945	P	73.5	Confident	81.5	Confident	68.2 Å²	68.2	56.5 Å²	56.5	44%	0.443	31%	0.308	S	S	.	.			trans	-67.6	100.3	-172.6	26.7	-34.9	0	0	0	111.5	F1939 V1940 S1941	F1939-P1945 HydrophobicContact CB-CB 4.42Å; F1939-P1945 HydrophobicContact CD1-CB 4.02Å; V1940-P1945 WeakPolarHBondContact O-CA 3.38Å; S1941-P1945 WeakPolarHBondContact O-CA 3.36Å
1946	V	78.4	Confident	81.5	Confident	80.4 Å²	80.4	57.2 Å²	57.2	49%	0.487	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	121	177.1	-168.6	0	0	0	0	109.3	F1939 V1940 H1944 T1948	F1939-V1946 WeakPolarHBondContact CA-O 3.4Å; V1940-V1946 PolarHBondContact N-O 3.15Å; V1940-V1946 VanDerWaalsContact N-O 3.09Å; V1940-V1946 PolarHBondContact O-N 3.15Å; V1940-V1946 VanDerWaalsContact O-N 3.08Å; H1944-V1946 WeakPolarHBondContact O-CG2 3.36Å; H1944-V1946 PolarHBondContact O-N 3.24Å; V1946-T1948 HydrophobicContact CB-CG2 4.31Å; V1946-T1948 HydrophobicContact CG1-CG2 3.87Å; V1946-T1948 PolarHBondContact O-N 3.4Å; V1946-T1948 PolarHBondContact O-OG1 3.19Å
1947	F	82.5	Confident	81.4	Confident	19.4 Å²	19.4	53.2 Å²	53.2	9%	0.085	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	117.6	168.4	-176.6	-101.2	0	0	0	109.4	P1689 V1692 Y1706 F1937 G1938 F1939	P1689-F1947 HydrophobicContact CG-CD1 4.17Å; P1689-F1947 HydrophobicContact CG-CE1 3.9Å; P1689-F1947 HydrophobicContact CG-CZ 4.46Å; V1692-F1947 HydrophobicContact CG1-CD2 4.48Å; V1692-F1947 HydrophobicContact CG1-CE2 4.27Å; V1692-F1947 HydrophobicContact CG2-CD2 4.43Å; V1692-F1947 HydrophobicContact CG2-CE2 3.76Å; V1692-F1947 HydrophobicContact CG2-CZ 3.93Å; Y1706-F1947 HydrophobicContact CD1-CE2 4.32Å; Y1706-F1947 AromaticContact CE1-CE2 3.99Å; Y1706-F1947 HydrophobicContact CE1-CE2 4.08Å; F1937-F1947 HydrophobicContact CB-CE2 4.16Å; F1937-F1947 HydrophobicContact CB-CZ 3.92Å; F1937-F1947 AromaticContact CD1-CE1 3.92Å; F1937-F1947 HydrophobicContact CD1-CE1 3.94Å; F1937-F1947 AromaticContact CD1-CZ 3.73Å; F1937-F1947 HydrophobicContact CD1-CZ 3.73Å; F1937-F1947 HydrophobicContact CE1-CE1 4.49Å; F1937-F1947 AromaticContact CG-CZ 3.97Å; F1937-F1947 HydrophobicContact CG-CZ 4.19Å; G1938-F1947 WeakPolarHBondContact O-CA 3.44Å; F1939-F1947 HydrophobicContact CD1-CB 4.13Å; F1939-F1947 HydrophobicContact CD2-CD2 4.39Å; F1939-F1947 HydrophobicContact CE1-CB 3.81Å; F1939-F1947 HydrophobicContact CE1-CD2 4.25Å; F1939-F1947 HydrophobicContact CE1-CG 4.49Å; F1939-F1947 AromaticContact CE2-CD2 3.95Å; F1939-F1947 HydrophobicContact CE2-CD2 3.97Å; F1939-F1947 HydrophobicContact CZ-CB 4.27Å; F1939-F1947 AromaticContact CZ-CD2 3.91Å; F1939-F1947 HydrophobicContact CZ-CD2 3.91Å; F1939-F1947 HydrophobicContact CZ-CG 4.48Å
1948	T	82.9	Confident	81.4	Confident	24.6 Å²	24.6	57.3 Å²	57.3	15%	0.151	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	165	-174.2	76.4	0	0	0	0	112.4	F1937 G1938 V1940 V1946 W1950	F1937-T1948 WeakPolarHBondContact CA-O 3.33Å; G1938-T1948 PolarHBondContact N-O 2.97Å; G1938-T1948 VanDerWaalsContact N-O 3.12Å; G1938-T1948 PolarHBondContact O-N 3.26Å; V1940-T1948 HydrophobicContact CG2-CG2 4.31Å; V1946-T1948 HydrophobicContact CB-CG2 4.31Å; V1946-T1948 HydrophobicContact CG1-CG2 3.87Å; V1946-T1948 PolarHBondContact O-N 3.4Å; V1946-T1948 PolarHBondContact O-OG1 3.19Å; T1948-W1950 HydrophobicContact CG2-CZ2 4.09Å; T1948-W1950 WeakPolarHBondContact O-CZ3 3.36Å; T1948-W1950 WeakPolarHBondContact OG1-CH2 3.37Å; T1948-W1950 WeakPolarHBondContact OG1-CZ2 3.4Å; T1948-W1950 PolarHBondContact OG1-NE1 3.02Å
1949	L	86.7	Confident	81.4	Confident	3.2 Å²	3.2	60 Å²	60	2%	0.017	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.2	177.8	178.1	76.3	0	0	0	111.3	I1713 L1715 V1852 C1935 I1936 F1937 L1954	I1713-L1949 HydrophobicContact CG2-CD1 4.46Å; L1715-L1949 HydrophobicContact CD1-CD1 4.13Å; L1715-L1949 HydrophobicContact CD1-CD2 3.94Å; L1715-L1949 HydrophobicContact CD2-CD1 4.29Å; L1715-L1949 HydrophobicContact CD2-CD2 4.07Å; L1715-L1949 HydrophobicContact CG-CD2 4.35Å; V1852-L1949 HydrophobicContact CB-CB 4.21Å; V1852-L1949 HydrophobicContact CG1-CB 3.39Å; V1852-L1949 HydrophobicContact CG1-CD2 3.78Å; V1852-L1949 HydrophobicContact CG1-CG 4.18Å; V1852-L1949 HydrophobicContact CG2-CB 4.5Å; V1852-L1949 HydrophobicContact CG2-CD1 4.21Å; C1935-L1949 HydrophobicContact CB-CD1 3.64Å; C1935-L1949 VanDerWaalsContact CB-CD1 3.47Å; C1935-L1949 HydrophobicContact CB-CD2 4.12Å; C1935-L1949 HydrophobicContact CB-CG 4.14Å; C1935-L1949 WeakPolarHBondContact SG-CD1 3.45Å; I1936-L1949 WeakPolarHBondContact O-CA 3.29Å; I1936-L1949 WeakPolarHBondContact O-CD1 3.44Å; F1937-L1949 HydrophobicContact CD1-CB 4.33Å; F1937-L1949 HydrophobicContact CD1-CD1 4.16Å; F1937-L1949 HydrophobicContact CD2-CD1 3.74Å; F1937-L1949 HydrophobicContact CE1-CB 4.01Å; F1937-L1949 HydrophobicContact CE1-CD1 3.77Å; F1937-L1949 HydrophobicContact CE1-CD2 4.2Å; F1937-L1949 HydrophobicContact CE1-CG 4.25Å; F1937-L1949 HydrophobicContact CE2-CD1 3.53Å; F1937-L1949 HydrophobicContact CE2-CG 4.42Å; F1937-L1949 HydrophobicContact CG-CD1 4.09Å; F1937-L1949 HydrophobicContact CZ-CB 4.36Å; F1937-L1949 HydrophobicContact CZ-CD1 3.48Å; F1937-L1949 HydrophobicContact CZ-CD2 3.98Å; F1937-L1949 HydrophobicContact CZ-CG 4.06Å; L1949-L1954 HydrophobicContact CD2-CB 4.08Å; L1949-L1954 HydrophobicContact CG-CB 4.17Å; L1949-L1954 HydrophobicContact CG-CD2 4.48Å; L1949-L1954 VanDerWaalsContact O-CD2 3.26Å; L1949-L1954 WeakPolarHBondContact O-CD2 3.37Å
1950	W	85.9	Confident	81.3	Confident	127.4 Å²	127.4	58.5 Å²	58.5	48%	0.483	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.1	172.1	-59.8	68	0	0	0	111.2	C1935 I1936 G1938 V1940 T1948	C1935-W1950 CarbonylContact C-O 3.56Å; C1935-W1950 WeakPolarHBondContact CA-O 3.41Å; C1935-W1950 VanDerWaalsContact CB-O 3.25Å; C1935-W1950 WeakPolarHBondContact CB-O 3.33Å; I1936-W1950 HydrophobicContact CG2-CE3 4.48Å; I1936-W1950 PolarHBondContact N-O 2.99Å; I1936-W1950 PolarHBondContact O-N 3.18Å; G1938-W1950 WeakPolarHBondContact O-CH2 3.37Å; V1940-W1950 HydrophobicContact CB-CH2 4.2Å; V1940-W1950 HydrophobicContact CB-CZ2 4.17Å; V1940-W1950 HydrophobicContact CG1-CZ2 4.31Å; V1940-W1950 HydrophobicContact CG2-CH2 3.54Å; V1940-W1950 VanDerWaalsContact CG2-CH2 3.47Å; V1940-W1950 HydrophobicContact CG2-CZ2 3.61Å; V1940-W1950 VanDerWaalsContact CG2-NE1 3.31Å; T1948-W1950 HydrophobicContact CG2-CZ2 4.09Å; T1948-W1950 WeakPolarHBondContact O-CZ3 3.36Å; T1948-W1950 WeakPolarHBondContact OG1-CH2 3.37Å; T1948-W1950 WeakPolarHBondContact OG1-CZ2 3.4Å; T1948-W1950 PolarHBondContact OG1-NE1 3.02Å
1951	G	85.4	Confident	81.4	Confident	39.8 Å²	39.8	55.7 Å²	55.7	41%	0.41	30%	0.295	S	S	.	.	S	Bend	trans	132.6	179	175.2	0	0	0	0	0	114.1	P1953 L1954 E1955	G1951-P1953 VanDerWaalsContact C-CD 3.4Å; G1951-P1953 VanDerWaalsContact C-N 3.32Å; G1951-P1953 VanDerWaalsContact O-N 3.16Å; G1951-L1954 PolarHBondContact O-N 3.18Å; G1951-E1955 PolarHBondContact O-N 3.19Å
1952	E	85.4	Confident	81.6	Confident	94 Å²	94	55.9 Å²	55.9	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-44.3	-45.1	-179.9	179.5	-164.5	-163.4	0	0	113.7	H1931 L1954 E1955 T1956 K1980	H1931-E1952 IonicContact CE1-OE1 2.65Å; H1931-E1952 IonicContact NE2-OE1 3.56Å; H1931-E1952 IonicContact NE2-OE2 3.1Å; E1952-L1954 VanDerWaalsContact C-N 3.35Å; E1952-L1954 PolarHBondContact O-N 3.1Å; E1952-E1955 PolarHBondContact O-N 2.98Å; E1952-T1956 VanDerWaalsContact O-CB 3.27Å; E1952-T1956 WeakPolarHBondContact O-CB 3.37Å; E1952-T1956 PolarHBondContact O-N 3.04Å; E1952-T1956 PolarHBondContact O-OG1 3.08Å; E1952-K1980 VanDerWaalsContact CD-NZ 3.32Å; E1952-K1980 IonicContact OE1-NZ 3.31Å; E1952-K1980 PolarHBondContact OE1-NZ 3.26Å; E1952-K1980 IonicContact OE2-NZ 3.31Å; E1952-K1980 PolarHBondContact OE2-NZ 2.91Å
1953	P	86.5	Confident	81.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-39.5	-174.9	-24.6	36.1	0	0	0	114.8	L1715 S1934 C1935 G1951 C1957	L1715-P1953 HydrophobicContact CB-CB 4.14Å; L1715-P1953 HydrophobicContact CD2-CB 4.25Å; S1934-P1953 VanDerWaalsContact O-CD 3.27Å; S1934-P1953 WeakPolarHBondContact O-CD 3.4Å; C1935-P1953 HydrophobicContact CB-CG 4.17Å; G1951-P1953 VanDerWaalsContact C-CD 3.4Å; G1951-P1953 VanDerWaalsContact C-N 3.32Å; G1951-P1953 VanDerWaalsContact O-N 3.16Å; P1953-C1957 VanDerWaalsContact O-CB 3.31Å; P1953-C1957 WeakPolarHBondContact O-CB 3.4Å; P1953-C1957 PolarHBondContact O-N 3.17Å; P1953-C1957 VanDerWaalsContact O-N 3.11Å; P1953-C1957 PolarHBondContact O-SG 3.16Å
1954	L	87.3	Confident	80.9	Confident	22.8 Å²	22.8	51.4 Å²	51.4	12%	0.119	26%	0.263	C	S	.	.	H	α-helix	trans	-68.9	-45.9	179.9	180	61.1	0	0	0	110.6	L1715 L1717 Y1853 L1949 G1951 E1952 C1957 R1958	L1715-L1954 HydrophobicContact CD2-CB 4.11Å; L1715-L1954 HydrophobicContact CD2-CD1 4.12Å; L1717-L1954 HydrophobicContact CD1-CD1 3.95Å; L1717-L1954 HydrophobicContact CD2-CD1 4.04Å; L1717-L1954 HydrophobicContact CG-CD1 4.4Å; Y1853-L1954 HydrophobicContact CD2-CD1 4.48Å; Y1853-L1954 HydrophobicContact CD2-CD2 4.4Å; Y1853-L1954 HydrophobicContact CG-CD1 4.46Å; L1949-L1954 HydrophobicContact CD2-CB 4.08Å; L1949-L1954 HydrophobicContact CG-CB 4.17Å; L1949-L1954 HydrophobicContact CG-CD2 4.48Å; L1949-L1954 VanDerWaalsContact O-CD2 3.26Å; L1949-L1954 WeakPolarHBondContact O-CD2 3.37Å; G1951-L1954 PolarHBondContact O-N 3.18Å; E1952-L1954 VanDerWaalsContact C-N 3.35Å; E1952-L1954 PolarHBondContact O-N 3.1Å; L1954-C1957 PolarHBondContact O-N 2.93Å; L1954-R1958 HydrophobicContact CD1-CG 4.4Å; L1954-R1958 HydrophobicContact CG-CG 4.46Å; L1954-R1958 WeakPolarHBondContact O-CB 3.41Å; L1954-R1958 VanDerWaalsContact O-CG 3.25Å; L1954-R1958 WeakPolarHBondContact O-CG 3.39Å; L1954-R1958 PolarHBondContact O-N 3.08Å
1955	E	85.7	Confident	80	Confident	91.2 Å²	91.2	52.7 Å²	52.7	43%	0.426	27%	0.269	S	S	.	.	H	α-helix	trans	-69.5	-39.8	-178.6	-177.3	51.4	-154.1	0	0	111.5	G1951 E1952 C1957 R1958 Q1959	G1951-E1955 PolarHBondContact O-N 3.19Å; E1952-E1955 PolarHBondContact O-N 2.98Å; E1955-C1957 PolarHBondContact O-N 2.92Å; E1955-R1958 CarbonylContact O-C 3.59Å; E1955-R1958 PolarHBondContact O-N 3.17Å; E1955-R1958 VanDerWaalsContact O-N 3.13Å; E1955-R1958 IonicContact OE2-NE 3.91Å; E1955-Q1959 HydrophobicContact CG-CG 4.47Å; E1955-Q1959 WeakPolarHBondContact O-CB 3.31Å; E1955-Q1959 WeakPolarHBondContact O-CG 3.38Å; E1955-Q1959 PolarHBondContact O-N 3.21Å; E1955-Q1959 VanDerWaalsContact OE1-CG 3.28Å; E1955-Q1959 WeakPolarHBondContact OE1-CG 3.32Å; E1955-Q1959 PolarHBondContact OE1-NE2 3.39Å
1956	T	85	Confident	79	Confident	20.2 Å²	20.2	52.6 Å²	52.6	12%	0.124	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-45.1	173.5	-63.1	0	0	0	0	111.8	H1931 E1952 R1958 Q1959 L1960 T1978 I2024	H1931-T1956 HydrophobicContact CB-CG2 4.39Å; E1952-T1956 VanDerWaalsContact O-CB 3.27Å; E1952-T1956 WeakPolarHBondContact O-CB 3.37Å; E1952-T1956 PolarHBondContact O-N 3.04Å; E1952-T1956 PolarHBondContact O-OG1 3.08Å; T1956-R1958 VanDerWaalsContact C-N 3.33Å; T1956-R1958 PolarHBondContact O-N 3.28Å; T1956-Q1959 PolarHBondContact O-N 3.34Å; T1956-L1960 HydrophobicContact CG2-CD1 4.19Å; T1956-L1960 WeakPolarHBondContact O-CG 3.4Å; T1956-L1960 PolarHBondContact O-N 3.34Å; T1956-T1978 HydrophobicContact CG2-CG2 3.86Å; T1956-I2024 HydrophobicContact CG2-CD1 3.56Å
1957	C	86.7	Confident	77.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-38.6	174.8	-73.3	0	0	0	0	112.6	L1715 L1717 A1929 L1930 H1931 P1953 L1954 E1955 Q1959 L1960 L1961	L1715-C1957 HydrophobicContact CD2-CB 4.41Å; L1717-C1957 HydrophobicContact CB-CB 4.02Å; L1717-C1957 HydrophobicContact CD1-CB 3.69Å; L1717-C1957 VanDerWaalsContact CD1-CB 3.45Å; L1717-C1957 HydrophobicContact CD2-CB 4.11Å; L1717-C1957 HydrophobicContact CG-CB 3.96Å; A1929-C1957 HydrophobicContact CB-CB 4.18Å; L1930-C1957 VanDerWaalsContact C-SG 3.56Å; H1931-C1957 VanDerWaalsContact CB-SG 3.56Å; H1931-C1957 PolarHBondContact N-SG 3.17Å; H1931-C1957 VanDerWaalsContact N-SG 3.44Å; P1953-C1957 VanDerWaalsContact O-CB 3.31Å; P1953-C1957 WeakPolarHBondContact O-CB 3.4Å; P1953-C1957 PolarHBondContact O-N 3.17Å; P1953-C1957 VanDerWaalsContact O-N 3.11Å; P1953-C1957 PolarHBondContact O-SG 3.16Å; L1954-C1957 PolarHBondContact O-N 2.93Å; E1955-C1957 PolarHBondContact O-N 2.92Å; C1957-Q1959 VanDerWaalsContact C-N 3.32Å; C1957-Q1959 PolarHBondContact O-N 2.88Å; C1957-L1960 PolarHBondContact O-N 3.03Å; C1957-L1961 VanDerWaalsContact O-CD1 3.32Å; C1957-L1961 WeakPolarHBondContact O-CD1 3.25Å; C1957-L1961 WeakPolarHBondContact O-CG 3.3Å; C1957-L1961 PolarHBondContact O-N 3.16Å; C1957-L1961 VanDerWaalsContact O-N 3.12Å
1958	R	85.4	Confident	76.1	Confident	85.2 Å²	85.2	62.1 Å²	62.1	32%	0.322	31%	0.308	S	S	.	.	H	α-helix	trans	-64.7	-39.7	174.3	-73.1	174.7	68.3	80.1	1.5	112	L1717 Y1853 L1954 E1955 T1956 L1961 S1962	L1717-R1958 HydrophobicContact CD1-CG 3.72Å; L1717-R1958 HydrophobicContact CD2-CG 3.67Å; Y1853-R1958 PolarHBondContact OH-NH1 3.16Å; Y1853-R1958 VanDerWaalsContact OH-NH1 3.11Å; L1954-R1958 HydrophobicContact CD1-CG 4.4Å; L1954-R1958 HydrophobicContact CG-CG 4.46Å; L1954-R1958 WeakPolarHBondContact O-CB 3.41Å; L1954-R1958 VanDerWaalsContact O-CG 3.25Å; L1954-R1958 WeakPolarHBondContact O-CG 3.39Å; L1954-R1958 PolarHBondContact O-N 3.08Å; E1955-R1958 CarbonylContact O-C 3.59Å; E1955-R1958 PolarHBondContact O-N 3.17Å; E1955-R1958 VanDerWaalsContact O-N 3.13Å; E1955-R1958 IonicContact OE2-NE 3.91Å; T1956-R1958 VanDerWaalsContact C-N 3.33Å; T1956-R1958 PolarHBondContact O-N 3.28Å; R1958-L1961 PolarHBondContact O-N 3.26Å; R1958-S1962 VanDerWaalsContact O-CB 3.29Å; R1958-S1962 WeakPolarHBondContact O-CB 3.3Å; R1958-S1962 PolarHBondContact O-N 3.08Å; R1958-S1962 PolarHBondContact O-OG 3.32Å
1959	Q	83.6	Confident	74.7	Confident	62.2 Å²	62.2	64 Å²	64	29%	0.291	32%	0.317	S	S	.	.	H	α-helix	trans	-69.2	-35.3	176.3	-72.5	-173	27	0	0	112.9	E1955 T1956 C1957 L1961 S1962 K1963 I2031	E1955-Q1959 HydrophobicContact CG-CG 4.47Å; E1955-Q1959 WeakPolarHBondContact O-CB 3.31Å; E1955-Q1959 WeakPolarHBondContact O-CG 3.38Å; E1955-Q1959 PolarHBondContact O-N 3.21Å; E1955-Q1959 VanDerWaalsContact OE1-CG 3.28Å; E1955-Q1959 WeakPolarHBondContact OE1-CG 3.32Å; E1955-Q1959 PolarHBondContact OE1-NE2 3.39Å; T1956-Q1959 PolarHBondContact O-N 3.34Å; C1957-Q1959 VanDerWaalsContact C-N 3.32Å; C1957-Q1959 PolarHBondContact O-N 2.88Å; Q1959-L1961 VanDerWaalsContact C-N 3.33Å; Q1959-S1962 WeakPolarHBondContact CA-OG 3.41Å; Q1959-S1962 PolarHBondContact O-N 3.15Å; Q1959-S1962 PolarHBondContact O-OG 2.82Å; Q1959-K1963 HydrophobicContact CB-CD 4.37Å; Q1959-K1963 VanDerWaalsContact O-CB 3.24Å; Q1959-K1963 WeakPolarHBondContact O-CB 3.44Å; Q1959-K1963 WeakPolarHBondContact O-CD 3.41Å; Q1959-K1963 VanDerWaalsContact O-CG 3.24Å; Q1959-K1963 WeakPolarHBondContact O-CG 3.3Å; Q1959-K1963 PolarHBondContact O-N 3.2Å; Q1959-I2031 HydrophobicContact CB-CD1 3.99Å
1960	L	80.8	Confident	73	Confident	4.4 Å²	4.4	65.7 Å²	65.7	2%	0.023	34%	0.335	C	S	.	.	H	α-helix	trans	-60.9	-47.6	170.7	-74.9	169.7	0	0	0	111.1	A1929 T1956 C1957 S1962 H1964 L1976 T1978 C2022 I2024 I2031 V2063	A1929-L1960 HydrophobicContact CB-CB 3.88Å; A1929-L1960 HydrophobicContact CB-CD1 4.16Å; T1956-L1960 HydrophobicContact CG2-CD1 4.19Å; T1956-L1960 WeakPolarHBondContact O-CG 3.4Å; T1956-L1960 PolarHBondContact O-N 3.34Å; C1957-L1960 PolarHBondContact O-N 3.03Å; L1960-S1962 VanDerWaalsContact C-N 3.32Å; L1960-S1962 PolarHBondContact O-N 3.32Å; L1960-H1964 VanDerWaalsContact O-CB 3.29Å; L1960-H1964 WeakPolarHBondContact O-CB 3.41Å; L1960-H1964 PolarHBondContact O-CD2 3.3Å; L1960-H1964 VanDerWaalsContact O-CD2 3.25Å; L1960-H1964 PolarHBondContact O-N 3.36Å; L1960-L1976 HydrophobicContact CB-CB 4.33Å; L1960-L1976 HydrophobicContact CB-CD1 4.05Å; L1960-L1976 HydrophobicContact CB-CD2 4.3Å; L1960-L1976 HydrophobicContact CD1-CB 4.31Å; L1960-L1976 HydrophobicContact CD2-CB 4.39Å; L1960-L1976 HydrophobicContact CD2-CD2 4.33Å; L1960-L1976 WeakPolarHBondContact O-CD1 3.36Å; L1960-T1978 HydrophobicContact CD1-CG2 3.83Å; L1960-C2022 HydrophobicContact CD2-CB 3.87Å; L1960-I2024 HydrophobicContact CD2-CD1 3.7Å; L1960-I2024 HydrophobicContact CD2-CG1 4.27Å; L1960-I2024 HydrophobicContact CG-CD1 3.77Å; L1960-I2031 HydrophobicContact CD2-CD1 3.93Å; L1960-I2031 HydrophobicContact CD2-CG1 4.29Å; L1960-I2031 HydrophobicContact CD2-CG2 4.12Å; L1960-I2031 HydrophobicContact CG-CD1 3.87Å; L1960-V2063 HydrophobicContact CD2-CB 3.98Å; L1960-V2063 HydrophobicContact CD2-CG2 3.63Å
1961	L	81.4	Confident	71.7	Confident	14.8 Å²	14.8	63.2 Å²	63.2	8%	0.077	34%	0.337	C	S	.	.	H	α-helix	trans	-66.3	-40.6	177.8	-71.8	159.8	0	0	0	112.8	L1717 N1719 M1858 Q1927 A1929 C1957 R1958 Q1959 H1964 F1974	L1717-L1961 HydrophobicContact CB-CD1 4.01Å; L1717-L1961 HydrophobicContact CD1-CD1 4.27Å; L1717-L1961 HydrophobicContact CD2-CD1 4.13Å; L1717-L1961 HydrophobicContact CD2-CD2 4.03Å; L1717-L1961 HydrophobicContact CG-CD1 3.69Å; L1717-L1961 HydrophobicContact CG-CD2 4.04Å; N1719-L1961 HydrophobicContact CB-CD1 4.35Å; N1719-L1961 HydrophobicContact CB-CD2 4.17Å; M1858-L1961 HydrophobicContact CG-CD1 4.49Å; M1858-L1961 HydrophobicContact CG-CD2 4.25Å; M1858-L1961 HydrophobicContact SD-CD1 4.16Å; M1858-L1961 HydrophobicContact SD-CD2 3.79Å; Q1927-L1961 HydrophobicContact CB-CD2 4.21Å; Q1927-L1961 VanDerWaalsContact CD-CD2 3.49Å; Q1927-L1961 HydrophobicContact CG-CD2 3.6Å; Q1927-L1961 HydrophobicContact CG-CG 4.38Å; Q1927-L1961 PolarHBondContact NE2-O 3.12Å; Q1927-L1961 VanDerWaalsContact NE2-O 3.14Å; A1929-L1961 HydrophobicContact CB-CD1 4.16Å; A1929-L1961 HydrophobicContact CB-CD2 3.94Å; A1929-L1961 HydrophobicContact CB-CG 3.77Å; C1957-L1961 VanDerWaalsContact O-CD1 3.32Å; C1957-L1961 WeakPolarHBondContact O-CD1 3.25Å; C1957-L1961 WeakPolarHBondContact O-CG 3.3Å; C1957-L1961 PolarHBondContact O-N 3.16Å; C1957-L1961 VanDerWaalsContact O-N 3.12Å; R1958-L1961 PolarHBondContact O-N 3.26Å; Q1959-L1961 VanDerWaalsContact C-N 3.33Å; L1961-H1964 PolarHBondContact O-N 3.32Å; L1961-F1974 HydrophobicContact CD2-CE2 4.03Å; L1961-F1974 HydrophobicContact CD2-CZ 4.35Å
1962	S	78.6	Confident	70.8	Confident	71.8 Å²	71.8	65.1 Å²	65.1	50%	0.502	34%	0.335	S	S	.	.	H	α-helix	trans	-81.4	-32.2	-173.5	66.5	0	0	0	0	114.5	R1958 Q1959 L1960 H1964	R1958-S1962 VanDerWaalsContact O-CB 3.29Å; R1958-S1962 WeakPolarHBondContact O-CB 3.3Å; R1958-S1962 PolarHBondContact O-N 3.08Å; R1958-S1962 PolarHBondContact O-OG 3.32Å; Q1959-S1962 WeakPolarHBondContact CA-OG 3.41Å; Q1959-S1962 PolarHBondContact O-N 3.15Å; Q1959-S1962 PolarHBondContact O-OG 2.82Å; L1960-S1962 VanDerWaalsContact C-N 3.32Å; L1960-S1962 PolarHBondContact O-N 3.32Å; S1962-H1964 VanDerWaalsContact C-N 3.29Å; S1962-H1964 PolarHBondContact O-N 2.94Å
1963	K	65.8	Low	70.3	Confident	106.2 Å²	106.2	61.3 Å²	61.3	46%	0.462	32%	0.318	S	S	.	.	H	α-helix	trans	-71.8	-24.9	174.2	-68.8	168.7	-176.9	168.1	0	111.7	Q1959 Q1965 G2029 I2031	Q1959-K1963 HydrophobicContact CB-CD 4.37Å; Q1959-K1963 VanDerWaalsContact O-CB 3.24Å; Q1959-K1963 WeakPolarHBondContact O-CB 3.44Å; Q1959-K1963 WeakPolarHBondContact O-CD 3.41Å; Q1959-K1963 VanDerWaalsContact O-CG 3.24Å; Q1959-K1963 WeakPolarHBondContact O-CG 3.3Å; Q1959-K1963 PolarHBondContact O-N 3.2Å; K1963-Q1965 VanDerWaalsContact C-N 3.33Å; K1963-Q1965 PolarHBondContact O-N 3.06Å; K1963-Q1965 VanDerWaalsContact O-N 3.15Å; K1963-G2029 PolarHBondContact NZ-O 2.92Å; K1963-G2029 VanDerWaalsContact NZ-O 3.08Å; K1963-I2031 HydrophobicContact CB-CD1 3.92Å; K1963-I2031 HydrophobicContact CD-CB 4.34Å; K1963-I2031 HydrophobicContact CD-CD1 3.7Å; K1963-I2031 HydrophobicContact CD-CG1 4Å; K1963-I2031 HydrophobicContact CG-CD1 4.37Å
1964	H	59.5	Low	69.9	Low	24.4 Å²	24.4	62.4 Å²	62.4	11%	0.113	32%	0.322	C	S	.	.			trans	-86.7	64.1	179.2	-111	-93.7	0	0	0	112.7	Q1927 L1960 L1961 S1962 L1966 L1976 I2024	Q1927-H1964 PolarHBondContact NE2-ND1 3.46Å; L1960-H1964 VanDerWaalsContact O-CB 3.29Å; L1960-H1964 WeakPolarHBondContact O-CB 3.41Å; L1960-H1964 PolarHBondContact O-CD2 3.3Å; L1960-H1964 VanDerWaalsContact O-CD2 3.25Å; L1960-H1964 PolarHBondContact O-N 3.36Å; L1961-H1964 PolarHBondContact O-N 3.32Å; S1962-H1964 VanDerWaalsContact C-N 3.29Å; S1962-H1964 PolarHBondContact O-N 2.94Å; H1964-L1966 HydrophobicContact CB-CD1 3.91Å; H1964-L1966 VanDerWaalsContact ND1-CD1 3.33Å; H1964-L1966 WeakPolarHBondContact ND1-CD1 3.35Å; H1964-L1966 PolarHBondContact O-N 3.09Å; H1964-L1976 HydrophobicContact CB-CD1 4.07Å; H1964-L1976 HydrophobicContact CB-CD2 4.14Å; H1964-L1976 VanDerWaalsContact CD2-CD2 3.42Å; H1964-L1976 WeakPolarHBondContact CD2-CD2 3.44Å; H1964-L1976 WeakPolarHBondContact CE1-CD2 3.48Å; H1964-L1976 WeakPolarHBondContact NE2-CD2 3.45Å; H1964-I2024 WeakPolarHBondContact CE1-CD1 3.47Å; H1964-I2024 WeakPolarHBondContact NE2-CD1 3.38Å
1965	Q	53.1	Low	69.6	Low	146.4 Å²	146.4	61.9 Å²	61.9	68%	0.684	32%	0.32	S	S	*	.			trans	-71.9	39.2	173.8	-67.2	-167.1	-26.5	0	0	114	K1963 N1967	K1963-Q1965 VanDerWaalsContact C-N 3.33Å; K1963-Q1965 PolarHBondContact O-N 3.06Å; K1963-Q1965 VanDerWaalsContact O-N 3.15Å; Q1965-N1967 PolarHBondContact O-N 3.05Å
1966	L	51.8	Low	69.5	Low	66.2 Å²	66.2	57.7 Å²	57.7	35%	0.347	30%	0.3	S	S	.	.			trans	-80.2	55.1	-179.1	-72.6	117.8	0	0	0	112.4	H1964 H1968 L1969 I2031 F2060	H1964-L1966 HydrophobicContact CB-CD1 3.91Å; H1964-L1966 VanDerWaalsContact ND1-CD1 3.33Å; H1964-L1966 WeakPolarHBondContact ND1-CD1 3.35Å; H1964-L1966 PolarHBondContact O-N 3.09Å; L1966-H1968 PolarHBondContact O-N 3.15Å; L1966-L1969 HydrophobicContact CB-CB 4.35Å; L1966-L1969 HydrophobicContact CB-CD1 4.25Å; L1966-L1969 HydrophobicContact CD2-CD1 3.84Å; L1966-L1969 HydrophobicContact CD2-CG 4.3Å; L1966-L1969 HydrophobicContact CG-CD1 4.36Å; L1966-L1969 WeakPolarHBondContact O-CB 3.46Å; L1966-L1969 PolarHBondContact O-N 3Å; L1966-L1969 VanDerWaalsContact O-N 3.14Å; L1966-I2031 HydrophobicContact CD1-CD1 4.44Å; L1966-I2031 HydrophobicContact CD2-CD1 3.66Å; L1966-F2060 HydrophobicContact CD2-CD2 4.06Å; L1966-F2060 HydrophobicContact CD2-CE2 3.99Å; L1966-F2060 HydrophobicContact CD2-CZ 4.46Å
1967	N	51.2	Low	69.4	Low	124.6 Å²	124.6	57 Å²	57	67%	0.666	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-17.1	169.1	-70.5	-9.5	0	0	0	112.7	T1114 Q1965 L1969	T1114-N1967 PolarHBondContact OG1-ND2 3.31Å; Q1965-N1967 PolarHBondContact O-N 3.05Å; N1967-L1969 PolarHBondContact O-N 3.16Å
1968	H	50.2	Low	69.1	Low	174.8 Å²	174.8	57.1 Å²	57.1	81%	0.809	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.4	178.9	-63.9	-72.5	0	0	0	114.6	L1966 G1970	L1966-H1968 PolarHBondContact O-N 3.15Å; H1968-G1970 VanDerWaalsContact C-N 3.26Å; H1968-G1970 PolarHBondContact O-N 3.26Å
1969	L	52	Low	68.6	Low	63.6 Å²	63.6	55.4 Å²	55.4	33%	0.333	29%	0.294	S	S	.	.	S	Bend	trans	-94.9	47.5	173	-79	140.5	0	0	0	111.1	L1966 N1967 S1971 Q1972 F1974 L2018 L2057	L1966-L1969 HydrophobicContact CB-CB 4.35Å; L1966-L1969 HydrophobicContact CB-CD1 4.25Å; L1966-L1969 HydrophobicContact CD2-CD1 3.84Å; L1966-L1969 HydrophobicContact CD2-CG 4.3Å; L1966-L1969 HydrophobicContact CG-CD1 4.36Å; L1966-L1969 WeakPolarHBondContact O-CB 3.46Å; L1966-L1969 PolarHBondContact O-N 3Å; L1966-L1969 VanDerWaalsContact O-N 3.14Å; N1967-L1969 PolarHBondContact O-N 3.16Å; L1969-S1971 PolarHBondContact O-N 2.96Å; L1969-Q1972 HydrophobicContact CD2-CB 4.38Å; L1969-Q1972 HydrophobicContact CD2-CG 4.46Å; L1969-Q1972 PolarHBondContact O-N 3.22Å; L1969-Q1972 VanDerWaalsContact O-N 3.12Å; L1969-F1974 HydrophobicContact CB-CE2 4.17Å; L1969-F1974 HydrophobicContact CB-CZ 3.63Å; L1969-F1974 HydrophobicContact CD1-CE1 3.91Å; L1969-F1974 HydrophobicContact CD1-CE2 4.46Å; L1969-F1974 HydrophobicContact CD1-CZ 3.79Å; L1969-F1974 HydrophobicContact CD2-CZ 4.1Å; L1969-F1974 HydrophobicContact CG-CZ 4.33Å; L1969-L2018 HydrophobicContact CD2-CD2 4.23Å; L1969-L2057 HydrophobicContact CD1-CD2 4.37Å; L1969-L2057 HydrophobicContact CD2-CD1 3.84Å; L1969-L2057 HydrophobicContact CG-CD1 4Å; L1969-L2057 HydrophobicContact CG-CD2 4.39Å
1970	G	51.2	Low	68.2	Low	39.8 Å²	39.8	56.4 Å²	56.4	41%	0.41	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	68.6	-173.8	0	0	0	0	0	115.2	I1723 Y1925 H1968	I1723-G1970 WeakPolarHBondContact CD1-O 3.39Å; Y1925-G1970 WeakPolarHBondContact CD2-O 3.4Å; H1968-G1970 VanDerWaalsContact C-N 3.26Å; H1968-G1970 PolarHBondContact O-N 3.26Å
1971	S	58.8	Low	68	Low	74.6 Å²	74.6	56.3 Å²	56.3	52%	0.522	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	175.9	28.6	169.8	-52.1	0	0	0	0	115.4	Y1925 L1969	Y1925-S1971 WeakPolarHBondContact CE1-O 3.35Å; Y1925-S1971 VanDerWaalsContact CZ-C 3.46Å; Y1925-S1971 VanDerWaalsContact CZ-CA 3.45Å; Y1925-S1971 VanDerWaalsContact OH-CB 3.31Å; Y1925-S1971 WeakPolarHBondContact OH-CB 3.43Å; Y1925-S1971 PolarHBondContact OH-O 3.38Å; L1969-S1971 PolarHBondContact O-N 2.96Å
1972	Q	67.6	Low	67.7	Low	79.6 Å²	79.6	57.1 Å²	57.1	37%	0.372	30%	0.301	S	S	.	.			trans	-136.6	157	179	-68	-174.7	-8.8	0	0	113.1	Y1925 L1969 F1974	Y1925-Q1972 WeakPolarHBondContact CD1-O 3.47Å; L1969-Q1972 HydrophobicContact CD2-CB 4.38Å; L1969-Q1972 HydrophobicContact CD2-CG 4.46Å; L1969-Q1972 PolarHBondContact O-N 3.22Å; L1969-Q1972 VanDerWaalsContact O-N 3.12Å; Q1972-F1974 HydrophobicContact CB-CE1 4.42Å; Q1972-F1974 HydrophobicContact CB-CE2 3.84Å; Q1972-F1974 HydrophobicContact CB-CZ 3.85Å; Q1972-F1974 WeakPolarHBondContact O-CD2 3.42Å; Q1972-F1974 WeakPolarHBondContact O-CE2 3.31Å
1973	H	74.6	Confident	67.5	Low	15.2 Å²	15.2	58.2 Å²	58.2	7%	0.07	31%	0.309	C	S	.	.			trans	-87.5	140.1	171.2	-61.5	-87.7	0	0	0	110	I1900 D1904 I1924 Y1925 V1926 Y2017	I1900-H1973 HydrophobicContact CD1-CB 4.35Å; I1900-H1973 HydrophobicContact CG1-CB 4.47Å; I1900-H1973 HydrophobicContact CG2-CB 4.18Å; D1904-H1973 IonicContact OD1-CD2 2.88Å; D1904-H1973 IonicContact OD1-NE2 2.99Å; D1904-H1973 PolarHBondContact OD1-NE2 3.26Å; D1904-H1973 IonicContact OD2-CD2 3.49Å; D1904-H1973 PolarHBondContact OD2-CD2 3.41Å; D1904-H1973 IonicContact OD2-NE2 3.15Å; D1904-H1973 PolarHBondContact OD2-NE2 3.37Å; I1924-H1973 PolarHBondContact O-CE1 3.21Å; Y1925-H1973 AromaticContact CD1-NE2 3.87Å; V1926-H1973 WeakPolarHBondContact CB-ND1 3.37Å; V1926-H1973 WeakPolarHBondContact CG2-ND1 3.33Å; V1926-H1973 PolarHBondContact N-ND1 3.2Å; V1926-H1973 VanDerWaalsContact N-ND1 3.14Å; V1926-H1973 CarbonylContact O-C 3.53Å; V1926-H1973 WeakPolarHBondContact O-CA 3.32Å; H1973-Y2017 HydrophobicContact CB-CD1 4.22Å
1974	F	77.4	Confident	67.6	Low	21.4 Å²	21.4	56.4 Å²	56.4	9%	0.094	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139.9	-176	-79	-90.5	0	0	0	112.1	V1926 Q1927 A1928 L1961 L1969 Q1972 L1976 L2018 T2020	V1926-F1974 PolarHBondContact O-N 3.04Å; Q1927-F1974 WeakPolarHBondContact CA-O 3.37Å; Q1927-F1974 HydrophobicContact CB-CD1 4.41Å; Q1927-F1974 HydrophobicContact CB-CD2 4.03Å; Q1927-F1974 HydrophobicContact CB-CE1 3.98Å; Q1927-F1974 HydrophobicContact CB-CE2 3.51Å; Q1927-F1974 HydrophobicContact CB-CG 4.45Å; Q1927-F1974 HydrophobicContact CB-CZ 3.5Å; Q1927-F1974 VanDerWaalsContact CB-CZ 3.5Å; Q1927-F1974 VanDerWaalsContact CD-CZ 3.46Å; Q1927-F1974 HydrophobicContact CG-CB 4.48Å; Q1927-F1974 HydrophobicContact CG-CD1 3.81Å; Q1927-F1974 HydrophobicContact CG-CD2 4.31Å; Q1927-F1974 HydrophobicContact CG-CE1 3.44Å; Q1927-F1974 VanDerWaalsContact CG-CE1 3.44Å; Q1927-F1974 HydrophobicContact CG-CE2 3.94Å; Q1927-F1974 HydrophobicContact CG-CG 4.25Å; Q1927-F1974 HydrophobicContact CG-CZ 3.51Å; A1928-F1974 PolarHBondContact N-O 3.3Å; L1961-F1974 HydrophobicContact CD2-CE2 4.03Å; L1961-F1974 HydrophobicContact CD2-CZ 4.35Å; L1969-F1974 HydrophobicContact CB-CE2 4.17Å; L1969-F1974 HydrophobicContact CB-CZ 3.63Å; L1969-F1974 HydrophobicContact CD1-CE1 3.91Å; L1969-F1974 HydrophobicContact CD1-CE2 4.46Å; L1969-F1974 HydrophobicContact CD1-CZ 3.79Å; L1969-F1974 HydrophobicContact CD2-CZ 4.1Å; L1969-F1974 HydrophobicContact CG-CZ 4.33Å; Q1972-F1974 HydrophobicContact CB-CE1 4.42Å; Q1972-F1974 HydrophobicContact CB-CE2 3.84Å; Q1972-F1974 HydrophobicContact CB-CZ 3.85Å; Q1972-F1974 WeakPolarHBondContact O-CD2 3.42Å; Q1972-F1974 WeakPolarHBondContact O-CE2 3.31Å; F1974-L1976 HydrophobicContact CD1-CD1 4.41Å; F1974-L1976 HydrophobicContact CD1-CD2 4.48Å; F1974-L1976 HydrophobicContact CD1-CG 3.99Å; F1974-L1976 HydrophobicContact CD2-CD1 4.21Å; F1974-L1976 HydrophobicContact CD2-CD2 4.17Å; F1974-L1976 HydrophobicContact CD2-CG 3.77Å; F1974-L1976 HydrophobicContact CE1-CD1 4.34Å; F1974-L1976 HydrophobicContact CE1-CD2 3.81Å; F1974-L1976 HydrophobicContact CE1-CG 3.82Å; F1974-L1976 HydrophobicContact CE2-CD1 3.57Å; F1974-L1976 HydrophobicContact CE2-CD2 4.32Å; F1974-L1976 HydrophobicContact CE2-CG 3.65Å; F1974-L1976 HydrophobicContact CZ-CD1 4.14Å; F1974-L2018 HydrophobicContact CD1-CB 4.35Å; F1974-L2018 HydrophobicContact CD1-CD2 4.34Å; F1974-L2018 HydrophobicContact CD2-CB 4.2Å; F1974-L2018 HydrophobicContact CD2-CD2 3.95Å; F1974-L2018 HydrophobicContact CD2-CG 4.04Å; F1974-L2018 HydrophobicContact CE1-CB 4.33Å; F1974-L2018 HydrophobicContact CE1-CD2 3.74Å; F1974-L2018 HydrophobicContact CE1-CG 4.08Å; F1974-L2018 HydrophobicContact CE2-CB 4.45Å; F1974-L2018 HydrophobicContact CE2-CD2 3.6Å; F1974-L2018 HydrophobicContact CE2-CG 3.78Å; F1974-L2018 HydrophobicContact CZ-CD2 4.21Å; F1974-T2020 HydrophobicContact CE1-CG2 4.24Å; F1974-T2020 HydrophobicContact CZ-CG2 4.06Å; F1974-T2020 WeakPolarHBondContact CZ-OG1 3.34Å
1975	I	82.2	Confident	68.1	Low	13.4 Å²	13.4	55.9 Å²	55.9	7%	0.069	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	122.7	175.8	-57.4	172.4	0	0	0	109	I1896 I1900 A1928 L1930 L2018 F2019 T2020 L2058 F2060	I1896-I1975 HydrophobicContact CG2-CD1 3.84Å; I1896-I1975 HydrophobicContact CG2-CG1 4.14Å; I1900-I1975 HydrophobicContact CD1-CD1 3.66Å; I1900-I1975 HydrophobicContact CD1-CG1 3.96Å; A1928-I1975 HydrophobicContact CB-CG1 4.46Å; A1928-I1975 HydrophobicContact CB-CG2 4.34Å; A1928-I1975 CarbonylContact O-C 3.56Å; A1928-I1975 WeakPolarHBondContact O-CA 3.37Å; L1930-I1975 HydrophobicContact CD1-CG2 3.61Å; L1930-I1975 VanDerWaalsContact CD1-CG2 3.45Å; L1930-I1975 HydrophobicContact CD2-CG2 4.42Å; I1975-L2018 PolarHBondContact N-O 2.94Å; I1975-F2019 HydrophobicContact CB-CD1 3.97Å; I1975-F2019 HydrophobicContact CB-CE1 4.07Å; I1975-F2019 HydrophobicContact CD1-CD1 4.23Å; I1975-F2019 HydrophobicContact CD1-CE1 3.51Å; I1975-F2019 VanDerWaalsContact CD1-CE1 3.41Å; I1975-F2019 HydrophobicContact CD1-CE2 3.91Å; I1975-F2019 HydrophobicContact CD1-CZ 3.86Å; I1975-F2019 HydrophobicContact CG1-CE1 4.39Å; I1975-F2019 HydrophobicContact CG1-CZ 4.46Å; I1975-F2019 HydrophobicContact CG2-CD1 4.08Å; I1975-F2019 HydrophobicContact CG2-CE1 4.09Å; I1975-T2020 PolarHBondContact O-N 3.21Å; I1975-T2020 VanDerWaalsContact O-N 3.12Å; I1975-L2058 HydrophobicContact CD1-CD2 3.79Å; I1975-L2058 HydrophobicContact CG1-CD2 3.88Å; I1975-F2060 HydrophobicContact CB-CD1 4.06Å; I1975-F2060 HydrophobicContact CB-CE1 3.83Å; I1975-F2060 HydrophobicContact CD1-CE1 4.29Å; I1975-F2060 HydrophobicContact CG2-CD1 4.1Å; I1975-F2060 HydrophobicContact CG2-CE1 3.73Å; I1975-F2060 WeakPolarHBondContact O-CA 3.35Å; I1975-F2060 WeakPolarHBondContact O-CD1 3.47Å
1976	L	83	Confident	68.7	Low	3.6 Å²	3.6	50.9 Å²	50.9	2%	0.019	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.5	174.7	-61	125.2	0	0	0	109.5	Q1927 A1928 A1929 L1930 L1960 H1964 F1974 T2020 C2022 C2061	Q1927-L1976 HydrophobicContact CG-CD1 4.16Å; A1928-L1976 PolarHBondContact O-N 3.11Å; A1929-L1976 CarbonylContact C-O 3.57Å; A1929-L1976 VanDerWaalsContact CA-O 3.25Å; A1929-L1976 WeakPolarHBondContact CA-O 3.4Å; A1929-L1976 HydrophobicContact CB-CB 4.33Å; L1930-L1976 WeakPolarHBondContact CD1-O 3.36Å; L1930-L1976 PolarHBondContact N-O 3.02Å; L1960-L1976 HydrophobicContact CB-CB 4.33Å; L1960-L1976 HydrophobicContact CB-CD1 4.05Å; L1960-L1976 HydrophobicContact CB-CD2 4.3Å; L1960-L1976 HydrophobicContact CD1-CB 4.31Å; L1960-L1976 HydrophobicContact CD2-CB 4.39Å; L1960-L1976 HydrophobicContact CD2-CD2 4.33Å; L1960-L1976 WeakPolarHBondContact O-CD1 3.36Å; H1964-L1976 HydrophobicContact CB-CD1 4.07Å; H1964-L1976 HydrophobicContact CB-CD2 4.14Å; H1964-L1976 VanDerWaalsContact CD2-CD2 3.42Å; H1964-L1976 WeakPolarHBondContact CD2-CD2 3.44Å; H1964-L1976 WeakPolarHBondContact CE1-CD2 3.48Å; H1964-L1976 WeakPolarHBondContact NE2-CD2 3.45Å; F1974-L1976 HydrophobicContact CD1-CD1 4.41Å; F1974-L1976 HydrophobicContact CD1-CD2 4.48Å; F1974-L1976 HydrophobicContact CD1-CG 3.99Å; F1974-L1976 HydrophobicContact CD2-CD1 4.21Å; F1974-L1976 HydrophobicContact CD2-CD2 4.17Å; F1974-L1976 HydrophobicContact CD2-CG 3.77Å; F1974-L1976 HydrophobicContact CE1-CD1 4.34Å; F1974-L1976 HydrophobicContact CE1-CD2 3.81Å; F1974-L1976 HydrophobicContact CE1-CG 3.82Å; F1974-L1976 HydrophobicContact CE2-CD1 3.57Å; F1974-L1976 HydrophobicContact CE2-CD2 4.32Å; F1974-L1976 HydrophobicContact CE2-CG 3.65Å; F1974-L1976 HydrophobicContact CZ-CD1 4.14Å; L1976-T2020 WeakPolarHBondContact CA-O 3.33Å; L1976-T2020 HydrophobicContact CD2-CG2 4.13Å; L1976-C2022 VanDerWaalsContact CD2-SG 3.59Å; L1976-C2061 HydrophobicContact CD2-CB 3.84Å
1977	A	82	Confident	69	Low	3.8 Å²	3.8	51.4 Å²	51.4	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.5	176.8	0	0	0	0	0	111	L1930 L1981 I1982 T2020 W2021 C2022 C2061 T2062	L1930-A1977 HydrophobicContact CB-CB 4.23Å; L1930-A1977 HydrophobicContact CD1-CB 4.22Å; L1930-A1977 HydrophobicContact CD2-CB 4.44Å; A1977-L1981 HydrophobicContact CB-CD2 4.27Å; A1977-I1982 HydrophobicContact CB-CD1 4.25Å; A1977-I1982 HydrophobicContact CB-CG1 4.29Å; A1977-T2020 PolarHBondContact N-O 2.85Å; A1977-W2021 HydrophobicContact CB-CE3 4.08Å; A1977-W2021 HydrophobicContact CB-CZ3 4.02Å; A1977-C2022 PolarHBondContact O-N 3.47Å; A1977-C2022 VanDerWaalsContact O-N 3.09Å; A1977-C2061 PolarHBondContact N-O 3.26Å; A1977-T2062 WeakPolarHBondContact O-CA 3.31Å
1978	T	80.8	Confident	69.2	Low	4 Å²	4	51.2 Å²	51.2	3%	0.025	29%	0.29	C	S	.	.			trans	-79.3	146.1	175.1	58.3	0	0	0	0	112.3	L1930 H1931 T1956 L1960 K1980 L1981 I1982 C2022 I2024	L1930-T1978 PolarHBondContact O-N 3.29Å; L1930-T1978 PolarHBondContact O-OG1 3.08Å; H1931-T1978 HydrophobicContact CB-CG2 4.44Å; H1931-T1978 VanDerWaalsContact ND1-CG2 3.32Å; H1931-T1978 WeakPolarHBondContact ND1-CG2 3.4Å; H1931-T1978 PolarHBondContact ND1-OG1 3.4Å; T1956-T1978 HydrophobicContact CG2-CG2 3.86Å; L1960-T1978 HydrophobicContact CD1-CG2 3.83Å; T1978-K1980 PolarHBondContact O-N 3.08Å; T1978-K1980 VanDerWaalsContact O-N 3.12Å; T1978-L1981 WeakPolarHBondContact O-CA 3.37Å; T1978-L1981 VanDerWaalsContact O-CB 3.28Å; T1978-L1981 WeakPolarHBondContact O-CB 3.4Å; T1978-L1981 PolarHBondContact O-N 3.23Å; T1978-I1982 PolarHBondContact O-N 3.12Å; T1978-C2022 VanDerWaalsContact CA-O 3.28Å; T1978-C2022 WeakPolarHBondContact CA-O 3.5Å; T1978-I2024 HydrophobicContact CG2-CD1 3.94Å; T1978-I2024 HydrophobicContact CG2-CG1 4.27Å
1979	D	75.2	Confident	69.5	Low	48.8 Å²	48.8	45.9 Å²	45.9	26%	0.261	27%	0.268	S	S	.	.	H	α-helix	trans	-48.5	-39	176.9	-62.3	-9.4	0	0	0	114	L1981 I1982 S1983 C2022 T2023 S2034 T2062	D1979-L1981 PolarHBondContact O-N 3.08Å; D1979-L1981 VanDerWaalsContact O-N 3.13Å; D1979-I1982 WeakPolarHBondContact O-CA 3.28Å; D1979-I1982 WeakPolarHBondContact O-CB 3.3Å; D1979-I1982 PolarHBondContact O-N 3.1Å; D1979-I1982 VanDerWaalsContact O-N 3.07Å; D1979-S1983 WeakPolarHBondContact O-CB 3.3Å; D1979-S1983 PolarHBondContact O-N 3.14Å; D1979-S1983 PolarHBondContact O-OG 3.27Å; D1979-S1983 VanDerWaalsContact O-OG 3.08Å; D1979-C2022 PolarHBondContact N-O 3.25Å; D1979-C2022 VanDerWaalsContact N-O 3.15Å; D1979-T2023 VanDerWaalsContact CG-CB 3.46Å; D1979-T2023 WeakPolarHBondContact OD1-CA 3.19Å; D1979-T2023 WeakPolarHBondContact OD1-CB 3.27Å; D1979-T2023 VanDerWaalsContact OD1-CG2 3.25Å; D1979-T2023 WeakPolarHBondContact OD1-CG2 3.43Å; D1979-T2023 VanDerWaalsContact OD2-CA 3.31Å; D1979-T2023 WeakPolarHBondContact OD2-CA 3.42Å; D1979-T2023 VanDerWaalsContact OD2-CB 3.25Å; D1979-T2023 WeakPolarHBondContact OD2-CB 3.21Å; D1979-T2023 VanDerWaalsContact OD2-CG2 3.32Å; D1979-T2023 WeakPolarHBondContact OD2-CG2 3.38Å; D1979-S2034 PolarHBondContact OD1-OG 3.3Å; D1979-S2034 VanDerWaalsContact OD1-OG 3.04Å; D1979-T2062 WeakPolarHBondContact OD1-CB 3.29Å; D1979-T2062 PolarHBondContact OD1-OG1 3.48Å; D1979-T2062 PolarHBondContact OD2-OG1 3.42Å
1980	K	74.8	Confident	69.7	Low	83.6 Å²	83.6	45.1 Å²	45.1	36%	0.363	26%	0.263	S	S	.	.	H	α-helix	trans	-58.6	-23.9	176.7	-174.8	-176.7	176.3	-162.1	0	114	H1931 S1932 E1952 T1978 S1983 L1984	H1931-K1980 PolarHBondContact NE2-NZ 3.14Å; H1931-K1980 VanDerWaalsContact NE2-NZ 3.18Å; S1932-K1980 VanDerWaalsContact O-CD 3.3Å; S1932-K1980 WeakPolarHBondContact O-CD 3.38Å; S1932-K1980 WeakPolarHBondContact O-CE 3.35Å; S1932-K1980 PolarHBondContact O-NZ 3.07Å; S1932-K1980 VanDerWaalsContact O-NZ 3.13Å; E1952-K1980 VanDerWaalsContact CD-NZ 3.32Å; E1952-K1980 IonicContact OE1-NZ 3.31Å; E1952-K1980 PolarHBondContact OE1-NZ 3.26Å; E1952-K1980 IonicContact OE2-NZ 3.31Å; E1952-K1980 PolarHBondContact OE2-NZ 2.91Å; T1978-K1980 PolarHBondContact O-N 3.08Å; T1978-K1980 VanDerWaalsContact O-N 3.12Å; K1980-S1983 PolarHBondContact O-OG 3.08Å; K1980-L1984 VanDerWaalsContact O-CD1 3.26Å; K1980-L1984 WeakPolarHBondContact O-CD1 3.43Å; K1980-L1984 WeakPolarHBondContact O-CG 3.43Å
1981	L	77.4	Confident	69.4	Low	1.4 Å²	1.4	46.9 Å²	46.9	1%	0.007	26%	0.264	C	S	.	.	H	α-helix	trans	-89.5	-40.8	171.4	-177.6	88.1	0	0	0	110.8	W1889 L1892 L1930 A1977 T1978 D1979 S1983 L1984 I1985	W1889-L1981 HydrophobicContact CD2-CD1 4.1Å; W1889-L1981 HydrophobicContact CE3-CD1 3.61Å; W1889-L1981 VanDerWaalsContact CE3-CD1 3.44Å; W1889-L1981 HydrophobicContact CE3-CG 4.23Å; W1889-L1981 HydrophobicContact CG-CD1 4.39Å; W1889-L1981 HydrophobicContact CZ3-CD1 3.82Å; L1892-L1981 HydrophobicContact CD2-CD1 4.19Å; L1892-L1981 HydrophobicContact CD2-CD2 4.49Å; L1930-L1981 HydrophobicContact CB-CD1 4.18Å; L1930-L1981 HydrophobicContact CB-CD2 3.53Å; L1930-L1981 VanDerWaalsContact CB-CD2 3.44Å; L1930-L1981 HydrophobicContact CD1-CD2 4.35Å; L1930-L1981 HydrophobicContact CD2-CD1 4.19Å; L1930-L1981 HydrophobicContact CD2-CD2 3.78Å; L1930-L1981 HydrophobicContact CG-CD2 4.22Å; A1977-L1981 HydrophobicContact CB-CD2 4.27Å; T1978-L1981 WeakPolarHBondContact O-CA 3.37Å; T1978-L1981 VanDerWaalsContact O-CB 3.28Å; T1978-L1981 WeakPolarHBondContact O-CB 3.4Å; T1978-L1981 PolarHBondContact O-N 3.23Å; D1979-L1981 PolarHBondContact O-N 3.08Å; D1979-L1981 VanDerWaalsContact O-N 3.13Å; L1981-S1983 VanDerWaalsContact C-N 3.29Å; L1981-S1983 PolarHBondContact O-N 3.08Å; L1981-L1984 WeakPolarHBondContact O-CA 3.2Å; L1981-L1984 WeakPolarHBondContact O-CB 3.29Å; L1981-L1984 PolarHBondContact O-N 2.91Å; L1981-I1985 HydrophobicContact CD2-CD1 4.08Å; L1981-I1985 HydrophobicContact CG-CD1 4.07Å; L1981-I1985 WeakPolarHBondContact O-CD1 3.41Å; L1981-I1985 WeakPolarHBondContact O-CG1 3.4Å; L1981-I1985 PolarHBondContact O-N 3.27Å
1982	I	74.8	Confident	68.7	Low	32 Å²	32	45.4 Å²	45.4	16%	0.164	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-41.2	178.9	-55.4	172.8	0	0	0	110.7	A1977 T1978 D1979 L1984 I1985 L1990 W2021 T2062	A1977-I1982 HydrophobicContact CB-CD1 4.25Å; A1977-I1982 HydrophobicContact CB-CG1 4.29Å; T1978-I1982 PolarHBondContact O-N 3.12Å; D1979-I1982 WeakPolarHBondContact O-CA 3.28Å; D1979-I1982 WeakPolarHBondContact O-CB 3.3Å; D1979-I1982 PolarHBondContact O-N 3.1Å; D1979-I1982 VanDerWaalsContact O-N 3.07Å; I1982-L1984 PolarHBondContact O-N 3.25Å; I1982-L1984 VanDerWaalsContact O-N 3.15Å; I1982-I1985 PolarHBondContact O-N 3.32Å; I1982-I1985 VanDerWaalsContact O-N 3.13Å; I1982-L1990 HydrophobicContact CG2-CD1 4.07Å; I1982-L1990 HydrophobicContact CG2-CD2 4.45Å; I1982-W2021 HydrophobicContact CD1-CB 4.34Å; I1982-W2021 HydrophobicContact CD1-CD2 4.15Å; I1982-W2021 HydrophobicContact CD1-CE3 3.69Å; I1982-W2021 VanDerWaalsContact CD1-CE3 3.46Å; I1982-W2021 HydrophobicContact CD1-CZ3 4.04Å; I1982-W2021 HydrophobicContact CG1-CE3 3.98Å; I1982-W2021 HydrophobicContact CG1-CZ3 4.14Å; I1982-W2021 HydrophobicContact CG2-CZ3 4.48Å; I1982-T2062 HydrophobicContact CD1-CG2 3.49Å; I1982-T2062 VanDerWaalsContact CD1-CG2 3.49Å
1983	S	73.3	Confident	67.2	Low	95.6 Å²	95.6	44.8 Å²	44.8	67%	0.669	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-11.2	176.2	61.9	0	0	0	0	115	D1979 K1980 L1981	D1979-S1983 WeakPolarHBondContact O-CB 3.3Å; D1979-S1983 PolarHBondContact O-N 3.14Å; D1979-S1983 PolarHBondContact O-OG 3.27Å; D1979-S1983 VanDerWaalsContact O-OG 3.08Å; K1980-S1983 PolarHBondContact O-OG 3.08Å; L1981-S1983 VanDerWaalsContact C-N 3.29Å; L1981-S1983 PolarHBondContact O-N 3.08Å
1984	L	68.9	Low	65.5	Low	67.2 Å²	67.2	48 Å²	48	35%	0.352	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-7.6	174.9	-62.6	173.4	0	0	0	112.8	W1889 S1932 K1980 L1981 I1982	W1889-L1984 VanDerWaalsContact CD1-O 3.26Å; W1889-L1984 HydrophobicContact CD2-CB 4.37Å; W1889-L1984 HydrophobicContact CG-CB 4.37Å; W1889-L1984 HydrophobicContact CH2-CD1 4.42Å; W1889-L1984 HydrophobicContact CZ2-CD1 3.9Å; S1932-L1984 VanDerWaalsContact OG-CD1 3.26Å; S1932-L1984 WeakPolarHBondContact OG-CD1 3.36Å; K1980-L1984 VanDerWaalsContact O-CD1 3.26Å; K1980-L1984 WeakPolarHBondContact O-CD1 3.43Å; K1980-L1984 WeakPolarHBondContact O-CG 3.43Å; L1981-L1984 WeakPolarHBondContact O-CA 3.2Å; L1981-L1984 WeakPolarHBondContact O-CB 3.29Å; L1981-L1984 PolarHBondContact O-N 2.91Å; I1982-L1984 PolarHBondContact O-N 3.25Å; I1982-L1984 VanDerWaalsContact O-N 3.15Å
1985	I	69.4	Low	63.6	Low	14.8 Å²	14.8	50.5 Å²	50.5	8%	0.076	30%	0.301	C	S	.	.	S	Bend	trans	-90.5	127.7	177.7	-67.2	160.8	0	0	0	108.4	W1889 I1893 L1981 I1982 L1989 L1990	W1889-I1985 HydrophobicContact CB-CG1 4.11Å; I1893-I1985 HydrophobicContact CD1-CB 4.49Å; I1893-I1985 HydrophobicContact CD1-CD1 3.67Å; I1893-I1985 HydrophobicContact CD1-CG1 3.91Å; I1893-I1985 HydrophobicContact CD1-CG2 3.89Å; I1893-I1985 HydrophobicContact CG1-CD1 4.38Å; L1981-I1985 HydrophobicContact CD2-CD1 4.08Å; L1981-I1985 HydrophobicContact CG-CD1 4.07Å; L1981-I1985 WeakPolarHBondContact O-CD1 3.41Å; L1981-I1985 WeakPolarHBondContact O-CG1 3.4Å; L1981-I1985 PolarHBondContact O-N 3.27Å; I1982-I1985 PolarHBondContact O-N 3.32Å; I1982-I1985 VanDerWaalsContact O-N 3.13Å; I1985-L1989 HydrophobicContact CG2-CB 3.93Å; I1985-L1989 HydrophobicContact CG2-CD1 4.35Å; I1985-L1990 HydrophobicContact CB-CD1 4.29Å; I1985-L1990 HydrophobicContact CB-CD2 4.23Å; I1985-L1990 HydrophobicContact CB-CG 4.49Å; I1985-L1990 HydrophobicContact CG2-CD1 4.04Å; I1985-L1990 HydrophobicContact CG2-CD2 4.23Å; I1985-L1990 HydrophobicContact CG2-CG 3.96Å
1986	P	65.8	Low	61.4	Low	41 Å²	41	53.2 Å²	53.2	27%	0.266	33%	0.326	S	S	.	.			trans	-65.7	139.5	177.5	19.5	-23.4	0	0	0	110.9	V1886 N1988 L1989	V1886-P1986 HydrophobicContact CG1-CG 3.83Å; V1886-P1986 VanDerWaalsContact CG1-CG 3.44Å; P1986-N1988 VanDerWaalsContact CB-OD1 3.31Å; P1986-N1988 WeakPolarHBondContact CB-OD1 3.39Å; P1986-N1988 WeakPolarHBondContact CG-OD1 3.28Å; P1986-N1988 PolarHBondContact O-N 3.16Å; P1986-N1988 PolarHBondContact O-OD1 3.06Å; P1986-L1989 HydrophobicContact CG-CD1 4.17Å; P1986-L1989 HydrophobicContact CG-CG 4.46Å; P1986-L1989 PolarHBondContact O-N 3.23Å
1987	S	58.4	Low	59.1	Low	77.2 Å²	77.2	59.8 Å²	59.8	54%	0.54	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-57.6	-25	-171.4	-43	0	0	0	0	114.3	L1989 L1990 D1991	S1987-L1989 PolarHBondContact O-N 3.26Å; S1987-L1989 VanDerWaalsContact O-N 3.13Å; S1987-L1990 CarbonylContact O-C 3.5Å; S1987-L1990 WeakPolarHBondContact O-CA 3.27Å; S1987-L1990 PolarHBondContact O-N 3.17Å; S1987-D1991 WeakPolarHBondContact CB-OD2 3.26Å; S1987-D1991 WeakPolarHBondContact O-CB 3.44Å; S1987-D1991 PolarHBondContact O-N 3.2Å
1988	N	54.5	Low	56.8	Low	120 Å²	120	66.7 Å²	66.7	64%	0.642	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-64.1	-14.4	175.7	68.2	-16.1	0	0	0	114.7	P1986	P1986-N1988 VanDerWaalsContact CB-OD1 3.31Å; P1986-N1988 WeakPolarHBondContact CB-OD1 3.39Å; P1986-N1988 WeakPolarHBondContact CG-OD1 3.28Å; P1986-N1988 PolarHBondContact O-N 3.16Å; P1986-N1988 PolarHBondContact O-OD1 3.06Å
1989	L	56.3	Low	54.5	Low	64 Å²	64	74.2 Å²	74.2	34%	0.335	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-95.9	-7	170.3	-67.6	174.9	0	0	0	113.4	S1890 I1893 I1985 P1986 S1987	S1890-L1989 WeakPolarHBondContact OG-CD1 3.36Å; I1893-L1989 HydrophobicContact CD1-CD1 4.34Å; I1985-L1989 HydrophobicContact CG2-CB 3.93Å; I1985-L1989 HydrophobicContact CG2-CD1 4.35Å; P1986-L1989 HydrophobicContact CG-CD1 4.17Å; P1986-L1989 HydrophobicContact CG-CG 4.46Å; P1986-L1989 PolarHBondContact O-N 3.23Å; S1987-L1989 PolarHBondContact O-N 3.26Å; S1987-L1989 VanDerWaalsContact O-N 3.13Å
1990	L	57	Low	52.6	Low	45.6 Å²	45.6	79 Å²	79	24%	0.239	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-30.5	-178.8	-65.5	165.1	0	0	0	112	I1982 I1985 S1987 A1992 W2021 R2039	I1982-L1990 HydrophobicContact CG2-CD1 4.07Å; I1982-L1990 HydrophobicContact CG2-CD2 4.45Å; I1985-L1990 HydrophobicContact CB-CD1 4.29Å; I1985-L1990 HydrophobicContact CB-CD2 4.23Å; I1985-L1990 HydrophobicContact CB-CG 4.49Å; I1985-L1990 HydrophobicContact CG2-CD1 4.04Å; I1985-L1990 HydrophobicContact CG2-CD2 4.23Å; I1985-L1990 HydrophobicContact CG2-CG 3.96Å; S1987-L1990 CarbonylContact O-C 3.5Å; S1987-L1990 WeakPolarHBondContact O-CA 3.27Å; S1987-L1990 PolarHBondContact O-N 3.17Å; L1990-A1992 PolarHBondContact O-N 3.17Å; L1990-A1992 VanDerWaalsContact O-N 3.09Å; L1990-W2021 HydrophobicContact CB-CZ2 4.36Å; L1990-W2021 HydrophobicContact CD2-CH2 3.83Å; L1990-W2021 VanDerWaalsContact CD2-CH2 3.48Å; L1990-W2021 HydrophobicContact CD2-CZ2 3.89Å; L1990-W2021 HydrophobicContact CD2-CZ3 4.46Å; L1990-R2039 PolarHBondContact O-NH2 3.47Å
1991	D	45	Very low	50.6	Low	78.4 Å²	78.4	81.8 Å²	81.8	42%	0.419	48%	0.475	S	S	.	.			trans	-85.5	95.7	-177	-80.7	-43.6	0	0	0	113.3	S1987 S1993 S1994 R2039	S1987-D1991 WeakPolarHBondContact CB-OD2 3.26Å; S1987-D1991 WeakPolarHBondContact O-CB 3.44Å; S1987-D1991 PolarHBondContact O-N 3.2Å; D1991-S1993 PolarHBondContact O-N 3.05Å; D1991-S1993 VanDerWaalsContact O-N 3.13Å; D1991-S1994 PolarHBondContact O-N 3.24Å; D1991-R2039 IonicContact OD1-CZ 3.75Å; D1991-R2039 IonicContact OD1-NH1 2.72Å; D1991-R2039 PolarHBondContact OD1-NH1 3.3Å; D1991-R2039 IonicContact OD1-NH2 2.68Å; D1991-R2039 PolarHBondContact OD1-NH2 3.41Å; D1991-R2039 IonicContact OD2-NH2 3.94Å
1992	A	44.7	Very low	48.5	Very low	42.6 Å²	42.6	86.2 Å²	86.2	35%	0.352	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-1.9	172.6	0	0	0	0	0	114.8	L1990 S1994 T1995 L2058	L1990-A1992 PolarHBondContact O-N 3.17Å; L1990-A1992 VanDerWaalsContact O-N 3.09Å; A1992-S1994 VanDerWaalsContact C-N 3.32Å; A1992-S1994 PolarHBondContact O-N 3.48Å; A1992-T1995 PolarHBondContact O-OG1 3.39Å; A1992-L2058 HydrophobicContact CB-CD1 3.94Å
1993	S	36.4	Very low	46.5	Very low	67 Å²	67	92.4 Å²	92.4	47%	0.469	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-23.2	-176.3	55.4	0	0	0	0	114.3	D1991 T1995 A1996	D1991-S1993 PolarHBondContact O-N 3.05Å; D1991-S1993 VanDerWaalsContact O-N 3.13Å; S1993-T1995 VanDerWaalsContact C-N 3.29Å; S1993-T1995 PolarHBondContact O-N 3.32Å; S1993-T1995 VanDerWaalsContact O-N 3.14Å; S1993-A1996 WeakPolarHBondContact O-CB 3.36Å; S1993-A1996 PolarHBondContact O-N 3.04Å; S1993-A1996 VanDerWaalsContact O-N 3.15Å
1994	S	38.4	Very low	44.6	Very low	82.6 Å²	82.6	95.9 Å²	95.9	58%	0.578	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-62	-31.4	-172.8	173.9	0	0	0	0	113.5	D1991 A1992 A1996	D1991-S1994 PolarHBondContact O-N 3.24Å; A1992-S1994 VanDerWaalsContact C-N 3.32Å; A1992-S1994 PolarHBondContact O-N 3.48Å; S1994-A1996 VanDerWaalsContact C-N 3.32Å; S1994-A1996 PolarHBondContact O-N 3.27Å
1995	T	37.8	Very low	42.6	Very low	73.4 Å²	73.4	103.1 Å²	103.1	45%	0.45	58%	0.579	S	S	.	*	G	3₁₀ helix	trans	-80.1	-14.2	177.5	51.9	0	0	0	0	114.4	A1992 S1993 N1997 L1998 N2012	A1992-T1995 PolarHBondContact O-OG1 3.39Å; S1993-T1995 VanDerWaalsContact C-N 3.29Å; S1993-T1995 PolarHBondContact O-N 3.32Å; S1993-T1995 VanDerWaalsContact O-N 3.14Å; T1995-N1997 VanDerWaalsContact C-N 3.34Å; T1995-N1997 PolarHBondContact O-N 2.93Å; T1995-L1998 PolarHBondContact O-N 3.45Å; T1995-N2012 WeakPolarHBondContact CG2-ND2 3.33Å; T1995-N2012 PolarHBondContact OG1-ND2 3.34Å
1996	A	35.9	Very low	40.9	Very low	70.4 Å²	70.4	107.3 Å²	107.3	58%	0.582	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-74.8	-24.8	-179	0	0	0	0	0	113.3	S1993 S1994 L1998 H1999	S1993-A1996 WeakPolarHBondContact O-CB 3.36Å; S1993-A1996 PolarHBondContact O-N 3.04Å; S1993-A1996 VanDerWaalsContact O-N 3.15Å; S1994-A1996 VanDerWaalsContact C-N 3.32Å; S1994-A1996 PolarHBondContact O-N 3.27Å; A1996-L1998 PolarHBondContact O-N 3.25Å; A1996-H1999 PolarHBondContact O-N 3.36Å
1997	N	34.1	Very low	39.2	Very low	142.2 Å²	142.2	111.9 Å²	111.9	76%	0.76	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-86.7	-2.8	-176.7	-68.9	-16	0	0	0	113.9	T1995 H1999	T1995-N1997 VanDerWaalsContact C-N 3.34Å; T1995-N1997 PolarHBondContact O-N 2.93Å; N1997-H1999 VanDerWaalsContact C-N 3.34Å; N1997-H1999 PolarHBondContact O-N 3.07Å
1998	L	33.4	Very low	38.1	Very low	148.6 Å²	148.6	113.2 Å²	113.2	78%	0.778	64%	0.638	S	S	*	*	S	Bend	trans	-80.1	54	170.1	-104	161	0	0	0	110.5	T1995 A1996 L2000	T1995-L1998 PolarHBondContact O-N 3.45Å; A1996-L1998 PolarHBondContact O-N 3.25Å; L1998-L2000 VanDerWaalsContact C-N 3.29Å; L1998-L2000 PolarHBondContact O-N 3.23Å
1999	H	33	Very low	37.1	Very low	162.8 Å²	162.8	115.4 Å²	115.4	75%	0.754	64%	0.644	S	S	*	*			trans	-81.8	67.9	-174.9	-159.1	-78.4	0	0	0	112.3	A1996 N1997 N2001	A1996-H1999 PolarHBondContact O-N 3.36Å; N1997-H1999 VanDerWaalsContact C-N 3.34Å; N1997-H1999 PolarHBondContact O-N 3.07Å; H1999-N2001 PolarHBondContact ND1-OD1 2.79Å; H1999-N2001 PolarHBondContact O-N 3.1Å
2000	L	34.9	Very low	36.1	Very low	149.6 Å²	149.6	118.3 Å²	118.3	78%	0.783	66%	0.66	S	S	*	*			trans	-85.6	78.6	178.2	-82.9	163.8	0	0	0	111.6	L1998 A2002	L1998-L2000 VanDerWaalsContact C-N 3.29Å; L1998-L2000 PolarHBondContact O-N 3.23Å; L2000-A2002 VanDerWaalsContact C-N 3.33Å; L2000-A2002 PolarHBondContact O-N 3.23Å
2001	N	33.1	Very low	35	Very low	141.6 Å²	141.6	120.2 Å²	120.2	76%	0.757	68%	0.677	S	S	*	*			trans	-66.6	110.4	166	-83.9	-27.6	0	0	0	108.7	H1999 N2003 Q2004	H1999-N2001 PolarHBondContact ND1-OD1 2.79Å; H1999-N2001 PolarHBondContact O-N 3.1Å; N2001-N2003 PolarHBondContact O-N 3.02Å; N2001-Q2004 PolarHBondContact O-N 3.36Å
2002	A	33.9	Very low	34.9	Very low	93.6 Å²	93.6	119.8 Å²	119.8	77%	0.774	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	73.2	-169	0	0	0	0	0	113.7	L2000	L2000-A2002 VanDerWaalsContact C-N 3.33Å; L2000-A2002 PolarHBondContact O-N 3.23Å
2003	N	33.1	Very low	34.8	Very low	162.6 Å²	162.6	121.6 Å²	121.6	87%	0.87	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.5	15.3	171.5	-80.5	-30.7	0	0	0	115.9	N2001	N2001-N2003 PolarHBondContact O-N 3.02Å
2004	Q	33.5	Very low	35.2	Very low	169 Å²	169	121.2 Å²	121.2	79%	0.79	67%	0.67	S	S	*	*			trans	-124.7	117.7	166.7	-80.8	-174.8	-3.1	0	0	112.1	N2001 T2006	N2001-Q2004 PolarHBondContact O-N 3.36Å; Q2004-T2006 VanDerWaalsContact C-N 3.33Å; Q2004-T2006 PolarHBondContact O-N 3.11Å; Q2004-T2006 VanDerWaalsContact O-N 3.14Å
2005	K	27	Very low	35.3	Very low	218 Å²	218	122 Å²	122	95%	0.948	67%	0.668	S	S	*	*			trans	-89	73.3	178.5	-173.8	-172.6	175.6	-177.3	0	110
2006	T	32.3	Very low	35.7	Very low	102.4 Å²	102.4	124.7 Å²	124.7	63%	0.628	68%	0.676	S	S	*	*			trans	-115	137.1	174	44	0	0	0	0	110.5	Q2004 V2008	Q2004-T2006 VanDerWaalsContact C-N 3.33Å; Q2004-T2006 PolarHBondContact O-N 3.11Å; Q2004-T2006 VanDerWaalsContact O-N 3.14Å; T2006-V2008 VanDerWaalsContact C-N 3.27Å; T2006-V2008 PolarHBondContact O-N 2.97Å; T2006-V2008 VanDerWaalsContact O-N 3.11Å
2007	T	30.4	Very low	36.2	Very low	139 Å²	139	123.8 Å²	123.8	85%	0.853	66%	0.657	S	S	*	*			trans	-77.4	102.2	-174.3	32	0	0	0	0	111.3
2008	V	34.8	Very low	36.7	Very low	103.8 Å²	103.8	120.1 Å²	120.1	63%	0.629	64%	0.637	S	S	*	*			trans	-108.3	95.7	172.5	-175.6	0	0	0	0	109.1	T2006 N2010	T2006-V2008 VanDerWaalsContact C-N 3.27Å; T2006-V2008 PolarHBondContact O-N 2.97Å; T2006-V2008 VanDerWaalsContact O-N 3.11Å; V2008-N2010 PolarHBondContact O-N 2.94Å
2009	E	33.2	Very low	37.6	Very low	165.6 Å²	165.6	115.5 Å²	115.5	77%	0.774	61%	0.611	S	S	*	*			trans	-90.3	103.8	176.6	-63.5	-171.9	149.4	0	0	110.9	S2011 N2012	E2009-S2011 WeakPolarHBondContact CB-OG 3.28Å; E2009-S2011 PolarHBondContact O-N 2.85Å; E2009-S2011 VanDerWaalsContact O-N 3.11Å; E2009-N2012 PolarHBondContact O-N 2.6Å
2010	N	35.3	Very low	38.3	Very low	125.8 Å²	125.8	109 Å²	109	67%	0.673	58%	0.583	S	S	*	*			trans	-93.7	32.7	-174.6	-74	-28.4	0	0	0	114.9	S1837 V2008 N2012	S1837-N2010 VanDerWaalsContact CB-ND2 3.25Å; S1837-N2010 WeakPolarHBondContact CB-ND2 3.37Å; S1837-N2010 PolarHBondContact OG-ND2 3.26Å; S1837-N2010 VanDerWaalsContact OG-ND2 3.07Å; V2008-N2010 PolarHBondContact O-N 2.94Å; N2010-N2012 VanDerWaalsContact C-N 3.3Å; N2010-N2012 PolarHBondContact O-N 3.07Å
2011	S	35.8	Very low	39.2	Very low	85 Å²	85	104.4 Å²	104.4	59%	0.594	56%	0.555	S	S	*	*	S	Bend	trans	-89.8	61.7	178.4	55.4	0	0	0	0	113.7	E2009 L2013	E2009-S2011 WeakPolarHBondContact CB-OG 3.28Å; E2009-S2011 PolarHBondContact O-N 2.85Å; E2009-S2011 VanDerWaalsContact O-N 3.11Å; S2011-L2013 PolarHBondContact O-N 3.02Å
2012	N	41.1	Very low	40	Very low	70.6 Å²	70.6	97.8 Å²	97.8	38%	0.378	52%	0.52	S	S	.	.			trans	-108	52.4	-177	-72.8	-37.8	0	0	0	114.7	T1995 E2009 N2010 L2014 N2015	T1995-N2012 WeakPolarHBondContact CG2-ND2 3.33Å; T1995-N2012 PolarHBondContact OG1-ND2 3.34Å; E2009-N2012 PolarHBondContact O-N 2.6Å; N2010-N2012 VanDerWaalsContact C-N 3.3Å; N2010-N2012 PolarHBondContact O-N 3.07Å; N2012-L2014 PolarHBondContact O-N 3.18Å; N2012-L2014 VanDerWaalsContact O-N 3.15Å; N2012-N2015 PolarHBondContact O-N 3.18Å; N2012-N2015 VanDerWaalsContact O-N 3.11Å
2013	L	43.5	Very low	40.8	Very low	80.8 Å²	80.8	94.7 Å²	94.7	42%	0.423	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-63.4	-25.5	175.8	-86.8	168.9	0	0	0	113.1	V1901 S2011 N2015 Q2016 Y2017	V1901-L2013 HydrophobicContact CG2-CD1 3.86Å; S2011-L2013 PolarHBondContact O-N 3.02Å; L2013-N2015 VanDerWaalsContact C-N 3.3Å; L2013-N2015 PolarHBondContact O-N 3.14Å; L2013-N2015 VanDerWaalsContact O-N 3.1Å; L2013-Q2016 PolarHBondContact O-N 3.18Å; L2013-Q2016 VanDerWaalsContact O-N 3.14Å; L2013-Y2017 HydrophobicContact CB-CE2 4.28Å; L2013-Y2017 WeakPolarHBondContact O-CD2 3.38Å; L2013-Y2017 VanDerWaalsContact O-CE2 3.24Å; L2013-Y2017 WeakPolarHBondContact O-CE2 3.34Å
2014	L	44.1	Very low	41.7	Very low	57.2 Å²	57.2	89 Å²	89	30%	0.299	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-49.2	-36.3	172.3	-86.4	151.5	0	0	0	112.7	I1893 E1897 N2012 Q2016 Y2017 F2019	I1893-L2014 HydrophobicContact CG2-CD1 4.38Å; I1893-L2014 HydrophobicContact CG2-CD2 4.23Å; E1897-L2014 HydrophobicContact CB-CD2 4.45Å; N2012-L2014 PolarHBondContact O-N 3.18Å; N2012-L2014 VanDerWaalsContact O-N 3.15Å; L2014-Q2016 VanDerWaalsContact C-N 3.31Å; L2014-Q2016 PolarHBondContact O-N 3.22Å; L2014-Y2017 PolarHBondContact O-N 3.08Å; L2014-F2019 HydrophobicContact CB-CE2 4.01Å; L2014-F2019 HydrophobicContact CB-CZ 4.05Å; L2014-F2019 HydrophobicContact CD2-CD2 4.31Å; L2014-F2019 HydrophobicContact CD2-CE1 4.31Å; L2014-F2019 HydrophobicContact CD2-CE2 4.02Å; L2014-F2019 HydrophobicContact CD2-CZ 3.63Å; L2014-F2019 HydrophobicContact CG-CE2 4.26Å; L2014-F2019 HydrophobicContact CG-CZ 4Å; L2014-F2019 WeakPolarHBondContact O-CD2 3.45Å; L2014-F2019 WeakPolarHBondContact O-CE2 3.4Å; L2014-F2019 WeakPolarHBondContact O-CZ 3.49Å
2015	N	40.6	Very low	42.2	Very low	99.4 Å²	99.4	82.9 Å²	82.9	53%	0.532	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-71.1	-9.4	-176.7	-69.7	-20.6	0	0	0	114.9	N2012 L2013 R2039	N2012-N2015 PolarHBondContact O-N 3.18Å; N2012-N2015 VanDerWaalsContact O-N 3.11Å; L2013-N2015 VanDerWaalsContact C-N 3.3Å; L2013-N2015 PolarHBondContact O-N 3.14Å; L2013-N2015 VanDerWaalsContact O-N 3.1Å; N2015-R2039 PolarHBondContact OD1-NH1 2.93Å
2016	Q	46.4	Very low	43.1	Very low	130.4 Å²	130.4	77.4 Å²	77.4	61%	0.609	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-91.5	-14.4	176.9	-66.8	-171.9	8.5	0	0	114	L2013 L2014	L2013-Q2016 PolarHBondContact O-N 3.18Å; L2013-Q2016 VanDerWaalsContact O-N 3.14Å; L2014-Q2016 VanDerWaalsContact C-N 3.31Å; L2014-Q2016 PolarHBondContact O-N 3.22Å
2017	Y	47.7	Very low	43.7	Very low	51.4 Å²	51.4	77 Å²	77	20%	0.202	42%	0.421	C	S	.	.	S	Bend	trans	-106.5	122.7	-175.9	-61.5	-73	0	0	0	112	I1900 D1904 H1973 L2013 L2014 F2019 R2056 L2058	I1900-Y2017 HydrophobicContact CG2-CD1 3.85Å; I1900-Y2017 HydrophobicContact CG2-CD2 4.43Å; I1900-Y2017 HydrophobicContact CG2-CE1 3.34Å; I1900-Y2017 HydrophobicContact CG2-CE2 4.03Å; I1900-Y2017 HydrophobicContact CG2-CG 4.38Å; I1900-Y2017 VanDerWaalsContact CG2-CZ 3.45Å; D1904-Y2017 WeakPolarHBondContact OD2-CE1 3.24Å; D1904-Y2017 PolarHBondContact OD2-OH 3.04Å; H1973-Y2017 HydrophobicContact CB-CD1 4.22Å; L2013-Y2017 HydrophobicContact CB-CE2 4.28Å; L2013-Y2017 WeakPolarHBondContact O-CD2 3.38Å; L2013-Y2017 VanDerWaalsContact O-CE2 3.24Å; L2013-Y2017 WeakPolarHBondContact O-CE2 3.34Å; L2014-Y2017 PolarHBondContact O-N 3.08Å; Y2017-F2019 WeakPolarHBondContact O-CD2 3.43Å; Y2017-F2019 PolarHBondContact O-N 3.07Å; Y2017-F2019 VanDerWaalsContact O-N 3.08Å; Y2017-R2056 HydrophobicContact CD1-CB 4.42Å; Y2017-R2056 VanDerWaalsContact CZ-NH1 3.27Å; Y2017-R2056 PolarHBondContact OH-NH1 3.46Å; Y2017-L2058 HydrophobicContact CD1-CD1 3.69Å; Y2017-L2058 HydrophobicContact CG-CD1 4.18Å
2018	L	44.1	Very low	44.7	Very low	64.2 Å²	64.2	75.5 Å²	75.5	34%	0.336	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	77.3	-175.5	-169.7	63.5	0	0	0	111.3	L1969 F1974 I1975 T2020 L2057 L2058 V2063 R2064	L1969-L2018 HydrophobicContact CD2-CD2 4.23Å; F1974-L2018 HydrophobicContact CD1-CB 4.35Å; F1974-L2018 HydrophobicContact CD1-CD2 4.34Å; F1974-L2018 HydrophobicContact CD2-CB 4.2Å; F1974-L2018 HydrophobicContact CD2-CD2 3.95Å; F1974-L2018 HydrophobicContact CD2-CG 4.04Å; F1974-L2018 HydrophobicContact CE1-CB 4.33Å; F1974-L2018 HydrophobicContact CE1-CD2 3.74Å; F1974-L2018 HydrophobicContact CE1-CG 4.08Å; F1974-L2018 HydrophobicContact CE2-CB 4.45Å; F1974-L2018 HydrophobicContact CE2-CD2 3.6Å; F1974-L2018 HydrophobicContact CE2-CG 3.78Å; F1974-L2018 HydrophobicContact CZ-CD2 4.21Å; I1975-L2018 PolarHBondContact N-O 2.94Å; L2018-T2020 PolarHBondContact O-N 3.11Å; L2018-T2020 VanDerWaalsContact O-N 3.1Å; L2018-T2020 PolarHBondContact O-OG1 2.77Å; L2018-L2057 HydrophobicContact CD1-CB 4.44Å; L2018-L2057 HydrophobicContact CD2-CD2 4.03Å; L2018-L2058 PolarHBondContact O-N 3.4Å; L2018-V2063 HydrophobicContact CD1-CG1 3.94Å; L2018-V2063 HydrophobicContact CG-CG1 3.88Å; L2018-V2063 CarbonylContact O-C 3.49Å; L2018-V2063 WeakPolarHBondContact O-CA 3.49Å; L2018-V2063 WeakPolarHBondContact O-CG1 3.33Å; L2018-R2064 PolarHBondContact O-N 2.75Å
2019	F	51	Low	45.4	Very low	52.4 Å²	52.4	72.8 Å²	72.8	23%	0.23	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	112.8	173.1	-68.5	-74.1	0	0	0	110.9	I1975 L2014 Y2017 W2021 L2058 F2060 C2061 V2063	I1975-F2019 HydrophobicContact CB-CD1 3.97Å; I1975-F2019 HydrophobicContact CB-CE1 4.07Å; I1975-F2019 HydrophobicContact CD1-CD1 4.23Å; I1975-F2019 HydrophobicContact CD1-CE1 3.51Å; I1975-F2019 VanDerWaalsContact CD1-CE1 3.41Å; I1975-F2019 HydrophobicContact CD1-CE2 3.91Å; I1975-F2019 HydrophobicContact CD1-CZ 3.86Å; I1975-F2019 HydrophobicContact CG1-CE1 4.39Å; I1975-F2019 HydrophobicContact CG1-CZ 4.46Å; I1975-F2019 HydrophobicContact CG2-CD1 4.08Å; I1975-F2019 HydrophobicContact CG2-CE1 4.09Å; L2014-F2019 HydrophobicContact CB-CE2 4.01Å; L2014-F2019 HydrophobicContact CB-CZ 4.05Å; L2014-F2019 HydrophobicContact CD2-CD2 4.31Å; L2014-F2019 HydrophobicContact CD2-CE1 4.31Å; L2014-F2019 HydrophobicContact CD2-CE2 4.02Å; L2014-F2019 HydrophobicContact CD2-CZ 3.63Å; L2014-F2019 HydrophobicContact CG-CE2 4.26Å; L2014-F2019 HydrophobicContact CG-CZ 4Å; L2014-F2019 WeakPolarHBondContact O-CD2 3.45Å; L2014-F2019 WeakPolarHBondContact O-CE2 3.4Å; L2014-F2019 WeakPolarHBondContact O-CZ 3.49Å; Y2017-F2019 WeakPolarHBondContact O-CD2 3.43Å; Y2017-F2019 PolarHBondContact O-N 3.07Å; Y2017-F2019 VanDerWaalsContact O-N 3.08Å; F2019-W2021 HydrophobicContact CB-CD2 4.35Å; F2019-W2021 HydrophobicContact CB-CH2 4.44Å; F2019-W2021 HydrophobicContact CB-CZ2 3.88Å; F2019-W2021 AromaticContact CD1-CH2 3.74Å; F2019-W2021 HydrophobicContact CD1-CH2 4.05Å; F2019-W2021 AromaticContact CD1-CZ2 3.6Å; F2019-W2021 HydrophobicContact CD1-CZ2 4.05Å; F2019-W2021 HydrophobicContact CD1-CZ3 4.49Å; F2019-W2021 HydrophobicContact CD2-CZ2 4.42Å; F2019-W2021 HydrophobicContact CE1-CH2 4.23Å; F2019-W2021 HydrophobicContact CE1-CZ2 4.34Å; F2019-W2021 HydrophobicContact CG-CH2 4.29Å; F2019-W2021 AromaticContact CG-CZ2 3.81Å; F2019-W2021 HydrophobicContact CG-CZ2 4.02Å; F2019-W2021 PolarHBondContact O-N 3.26Å; F2019-L2058 HydrophobicContact CB-CD2 3.87Å; F2019-L2058 HydrophobicContact CD1-CB 3.89Å; F2019-L2058 HydrophobicContact CD1-CD1 4.1Å; F2019-L2058 HydrophobicContact CE1-CB 4.37Å; F2019-L2058 HydrophobicContact CE1-CD1 3.79Å; F2019-F2060 HydrophobicContact CB-CE2 3.91Å; F2019-F2060 AromaticContact CD1-CE2 3.39Å; F2019-F2060 HydrophobicContact CD1-CE2 3.39Å; F2019-F2060 AromaticContact CD1-CZ 3.59Å; F2019-F2060 HydrophobicContact CD1-CZ 3.59Å; F2019-F2060 HydrophobicContact CE1-CE2 4.2Å; F2019-F2060 AromaticContact CE1-CZ 3.92Å; F2019-F2060 HydrophobicContact CE1-CZ 3.92Å; F2019-F2060 AromaticContact CG-CE2 3.94Å; F2019-F2060 HydrophobicContact CG-CE2 3.94Å; F2019-F2060 HydrophobicContact CG-CZ 4.44Å; F2019-C2061 WeakPolarHBondContact CB-SG 3.4Å; F2019-V2063 HydrophobicContact CD1-CB 4.44Å; F2019-V2063 HydrophobicContact CD1-CG1 4.13Å; F2019-V2063 HydrophobicContact CD1-CG2 4.07Å; F2019-V2063 HydrophobicContact CE1-CB 4.46Å; F2019-V2063 HydrophobicContact CE1-CG1 3.95Å; F2019-V2063 HydrophobicContact CE1-CG2 3.87Å
2020	T	49.2	Very low	46.1	Very low	25.6 Å²	25.6	71.7 Å²	71.7	16%	0.157	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	106.4	173.9	-58	0	0	0	0	108.8	F1974 I1975 L1976 A1977 L2018 C2022 L2033 L2057 L2058 H2059 F2060 C2061 T2062	F1974-T2020 HydrophobicContact CE1-CG2 4.24Å; F1974-T2020 HydrophobicContact CZ-CG2 4.06Å; F1974-T2020 WeakPolarHBondContact CZ-OG1 3.34Å; I1975-T2020 PolarHBondContact O-N 3.21Å; I1975-T2020 VanDerWaalsContact O-N 3.12Å; L1976-T2020 WeakPolarHBondContact CA-O 3.33Å; L1976-T2020 HydrophobicContact CD2-CG2 4.13Å; A1977-T2020 PolarHBondContact N-O 2.85Å; L2018-T2020 PolarHBondContact O-N 3.11Å; L2018-T2020 VanDerWaalsContact O-N 3.1Å; L2018-T2020 PolarHBondContact O-OG1 2.77Å; T2020-C2022 PolarHBondContact O-N 3.23Å; T2020-L2033 HydrophobicContact CG2-CD1 3.93Å; T2020-L2033 HydrophobicContact CG2-CD2 3.6Å; T2020-L2057 VanDerWaalsContact OG1-CD2 3.25Å; T2020-L2057 WeakPolarHBondContact OG1-CD2 3.48Å; T2020-L2058 PolarHBondContact N-O 3.34Å; T2020-H2059 WeakPolarHBondContact O-CA 3.4Å; T2020-F2060 PolarHBondContact O-N 3.24Å; T2020-C2061 WeakPolarHBondContact O-CA 3.39Å; T2020-C2061 PolarHBondContact O-SG 3.3Å; T2020-T2062 PolarHBondContact N-O 2.87Å; T2020-T2062 PolarHBondContact O-N 2.98Å; T2020-T2062 PolarHBondContact O-OG1 3.45Å
2021	W	52.3	Low	46.9	Very low	53.8 Å²	53.8	67.6 Å²	67.6	20%	0.204	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.7	179.9	-54.8	101	0	0	0	110.3	A1977 I1982 L1990 F2019 S2034 H2059 F2060 C2061	A1977-W2021 HydrophobicContact CB-CE3 4.08Å; A1977-W2021 HydrophobicContact CB-CZ3 4.02Å; I1982-W2021 HydrophobicContact CD1-CB 4.34Å; I1982-W2021 HydrophobicContact CD1-CD2 4.15Å; I1982-W2021 HydrophobicContact CD1-CE3 3.69Å; I1982-W2021 VanDerWaalsContact CD1-CE3 3.46Å; I1982-W2021 HydrophobicContact CD1-CZ3 4.04Å; I1982-W2021 HydrophobicContact CG1-CE3 3.98Å; I1982-W2021 HydrophobicContact CG1-CZ3 4.14Å; I1982-W2021 HydrophobicContact CG2-CZ3 4.48Å; L1990-W2021 HydrophobicContact CB-CZ2 4.36Å; L1990-W2021 HydrophobicContact CD2-CH2 3.83Å; L1990-W2021 VanDerWaalsContact CD2-CH2 3.48Å; L1990-W2021 HydrophobicContact CD2-CZ2 3.89Å; L1990-W2021 HydrophobicContact CD2-CZ3 4.46Å; F2019-W2021 HydrophobicContact CB-CD2 4.35Å; F2019-W2021 HydrophobicContact CB-CH2 4.44Å; F2019-W2021 HydrophobicContact CB-CZ2 3.88Å; F2019-W2021 AromaticContact CD1-CH2 3.74Å; F2019-W2021 HydrophobicContact CD1-CH2 4.05Å; F2019-W2021 AromaticContact CD1-CZ2 3.6Å; F2019-W2021 HydrophobicContact CD1-CZ2 4.05Å; F2019-W2021 HydrophobicContact CD1-CZ3 4.49Å; F2019-W2021 HydrophobicContact CD2-CZ2 4.42Å; F2019-W2021 HydrophobicContact CE1-CH2 4.23Å; F2019-W2021 HydrophobicContact CE1-CZ2 4.34Å; F2019-W2021 HydrophobicContact CG-CH2 4.29Å; F2019-W2021 AromaticContact CG-CZ2 3.81Å; F2019-W2021 HydrophobicContact CG-CZ2 4.02Å; F2019-W2021 PolarHBondContact O-N 3.26Å; W2021-S2034 VanDerWaalsContact O-CB 3.28Å; W2021-S2034 WeakPolarHBondContact O-CB 3.39Å; W2021-S2034 PolarHBondContact O-N 3.22Å; W2021-S2034 PolarHBondContact O-OG 3.24Å; W2021-S2034 VanDerWaalsContact O-OG 3.12Å; W2021-H2059 WeakPolarHBondContact CB-O 3.45Å; W2021-H2059 HydrophobicContact CE3-CB 4.44Å; W2021-F2060 AromaticContact CD1-CD1 3.43Å; W2021-F2060 VanDerWaalsContact CD1-CD1 3.43Å; W2021-F2060 AromaticContact CD1-CE1 3.38Å; W2021-F2060 AromaticContact CD1-CG 3.97Å; W2021-F2060 AromaticContact CD1-CZ 3.89Å; W2021-F2060 AromaticContact CD2-CD2 3.78Å; W2021-F2060 HydrophobicContact CD2-CD2 3.78Å; W2021-F2060 HydrophobicContact CD2-CE1 4.31Å; W2021-F2060 HydrophobicContact CD2-CE2 4.37Å; W2021-F2060 HydrophobicContact CD2-CG 4.46Å; W2021-F2060 AromaticContact CE2-CE1 3.73Å; W2021-F2060 HydrophobicContact CE3-CB 3.75Å; W2021-F2060 AromaticContact CE3-CD2 3.46Å; W2021-F2060 HydrophobicContact CE3-CD2 3.46Å; W2021-F2060 VanDerWaalsContact CE3-CD2 3.46Å; W2021-F2060 HydrophobicContact CE3-CE2 4.19Å; W2021-F2060 AromaticContact CE3-CG 3.73Å; W2021-F2060 HydrophobicContact CE3-CG 3.73Å; W2021-F2060 HydrophobicContact CG-CD1 4.02Å; W2021-F2060 HydrophobicContact CG-CE1 4.12Å; W2021-F2060 AromaticContact CH2-CD2 3.74Å; W2021-F2060 HydrophobicContact CH2-CD2 3.74Å; W2021-F2060 AromaticContact CH2-CE2 3.6Å; W2021-F2060 HydrophobicContact CH2-CE2 3.6Å; W2021-F2060 HydrophobicContact CH2-CG 4.26Å; W2021-F2060 HydrophobicContact CH2-CZ 4.04Å; W2021-F2060 HydrophobicContact CZ2-CD2 4.06Å; W2021-F2060 HydrophobicContact CZ2-CE1 4.41Å; W2021-F2060 AromaticContact CZ2-CE2 3.83Å; W2021-F2060 HydrophobicContact CZ2-CE2 3.83Å; W2021-F2060 HydrophobicContact CZ3-CB 4.05Å; W2021-F2060 HydrophobicContact CZ3-CD1 4.14Å; W2021-F2060 AromaticContact CZ3-CD2 3.44Å; W2021-F2060 HydrophobicContact CZ3-CD2 3.44Å; W2021-F2060 VanDerWaalsContact CZ3-CD2 3.44Å; W2021-F2060 HydrophobicContact CZ3-CE1 4.47Å; W2021-F2060 AromaticContact CZ3-CE2 3.81Å; W2021-F2060 HydrophobicContact CZ3-CE2 3.81Å; W2021-F2060 AromaticContact CZ3-CG 3.61Å; W2021-F2060 HydrophobicContact CZ3-CG 3.61Å; W2021-F2060 HydrophobicContact CZ3-CZ 4.32Å; W2021-F2060 AromaticContact NE1-CD1 3.71Å; W2021-F2060 AromaticContact NE1-CE1 3.11Å; W2021-F2060 AromaticContact NE1-CZ 3.38Å; W2021-C2061 HydrophobicContact CD2-CB 3.83Å; W2021-C2061 HydrophobicContact CE3-CB 3.63Å; W2021-C2061 HydrophobicContact CH2-CB 3.83Å; W2021-C2061 HydrophobicContact CZ2-CB 3.99Å; W2021-C2061 HydrophobicContact CZ3-CB 3.63Å
2022	C	51.3	Low	47.7	Very low	4.2 Å²	4.2	66.6 Å²	66.6	3%	0.028	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.9	-178.8	-67.9	0	0	0	0	110.7	L1960 L1976 A1977 T1978 D1979 T2020 I2031 I2032 S2034 H2059 F2060 C2061 T2062	L1960-C2022 HydrophobicContact CD2-CB 3.87Å; L1976-C2022 VanDerWaalsContact CD2-SG 3.59Å; A1977-C2022 PolarHBondContact O-N 3.47Å; A1977-C2022 VanDerWaalsContact O-N 3.09Å; T1978-C2022 VanDerWaalsContact CA-O 3.28Å; T1978-C2022 WeakPolarHBondContact CA-O 3.5Å; D1979-C2022 PolarHBondContact N-O 3.25Å; D1979-C2022 VanDerWaalsContact N-O 3.15Å; T2020-C2022 PolarHBondContact O-N 3.23Å; C2022-I2031 HydrophobicContact CB-CG2 3.93Å; C2022-I2032 CarbonylContact C-O 3.52Å; C2022-I2032 VanDerWaalsContact CA-O 3.23Å; C2022-I2032 WeakPolarHBondContact CA-O 3.34Å; C2022-I2032 WeakPolarHBondContact CB-O 3.31Å; C2022-S2034 VanDerWaalsContact CA-OG 3.31Å; C2022-S2034 WeakPolarHBondContact CA-OG 3.43Å; C2022-S2034 PolarHBondContact N-OG 3.04Å; C2022-S2034 VanDerWaalsContact N-OG 3.16Å; C2022-S2034 PolarHBondContact O-OG 3.08Å; C2022-H2059 CarbonylContact O-C 3.54Å; C2022-H2059 VanDerWaalsContact O-CA 3.23Å; C2022-H2059 WeakPolarHBondContact O-CA 3.48Å; C2022-F2060 CarbonylContact C-O 3.56Å; C2022-F2060 WeakPolarHBondContact CA-O 3.45Å; C2022-F2060 HydrophobicContact CB-CD2 4.07Å; C2022-F2060 HydrophobicContact CB-CE1 4.23Å; C2022-F2060 HydrophobicContact CB-CE2 3.48Å; C2022-F2060 VanDerWaalsContact CB-CE2 3.48Å; C2022-F2060 HydrophobicContact CB-CZ 3.6Å; C2022-F2060 VanDerWaalsContact CB-O 3.27Å; C2022-F2060 WeakPolarHBondContact CB-O 3.37Å; C2022-F2060 PolarHBondContact N-O 3.44Å; C2022-F2060 PolarHBondContact O-N 3.4Å; C2022-F2060 VanDerWaalsContact O-O 3.06Å; C2022-C2061 VanDerWaalsContact O-CA 3.32Å; C2022-C2061 WeakPolarHBondContact O-CA 3.46Å; C2022-T2062 PolarHBondContact O-N 3.37Å
2023	T	49.3	Very low	48.1	Very low	28 Å²	28	67.3 Å²	67.3	17%	0.172	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	150.2	170.6	104.7	0	0	0	0	109.3	D1979 I2031 I2032 S2034 L2037 L2058 C2061 T2062	D1979-T2023 VanDerWaalsContact CG-CB 3.46Å; D1979-T2023 WeakPolarHBondContact OD1-CA 3.19Å; D1979-T2023 WeakPolarHBondContact OD1-CB 3.27Å; D1979-T2023 VanDerWaalsContact OD1-CG2 3.25Å; D1979-T2023 WeakPolarHBondContact OD1-CG2 3.43Å; D1979-T2023 VanDerWaalsContact OD2-CA 3.31Å; D1979-T2023 WeakPolarHBondContact OD2-CA 3.42Å; D1979-T2023 VanDerWaalsContact OD2-CB 3.25Å; D1979-T2023 WeakPolarHBondContact OD2-CB 3.21Å; D1979-T2023 VanDerWaalsContact OD2-CG2 3.32Å; D1979-T2023 WeakPolarHBondContact OD2-CG2 3.38Å; T2023-I2031 CarbonylContact O-C 3.56Å; T2023-I2031 VanDerWaalsContact O-CA 3.23Å; T2023-I2031 WeakPolarHBondContact O-CA 3.35Å; T2023-I2031 WeakPolarHBondContact O-CG2 3.33Å; T2023-I2032 HydrophobicContact CG2-CD1 4.16Å; T2023-I2032 HydrophobicContact CG2-CG1 3.79Å; T2023-I2032 PolarHBondContact N-O 2.82Å; T2023-I2032 PolarHBondContact O-N 3.23Å; T2023-S2034 VanDerWaalsContact CG2-OG 3.29Å; T2023-S2034 WeakPolarHBondContact CG2-OG 3.37Å; T2023-S2034 PolarHBondContact N-OG 2.89Å; T2023-L2037 HydrophobicContact CG2-CB 4.43Å; T2023-L2058 PolarHBondContact OG1-O 3.33Å; T2023-C2061 HydrophobicContact CG2-CB 3.5Å; T2023-C2061 VanDerWaalsContact CG2-CB 3.5Å; T2023-T2062 HydrophobicContact CG2-CG2 4.4Å
2024	I	52.7	Low	48.2	Very low	42.2 Å²	42.2	64.9 Å²	64.9	22%	0.216	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.4	169	-63	178.4	0	0	0	107.1	T1956 L1960 H1964 T1978 P2026 K2030 I2031 F2060 C2061 T2062 V2063	T1956-I2024 HydrophobicContact CG2-CD1 3.56Å; L1960-I2024 HydrophobicContact CD2-CD1 3.7Å; L1960-I2024 HydrophobicContact CD2-CG1 4.27Å; L1960-I2024 HydrophobicContact CG-CD1 3.77Å; H1964-I2024 WeakPolarHBondContact CE1-CD1 3.47Å; H1964-I2024 WeakPolarHBondContact NE2-CD1 3.38Å; T1978-I2024 HydrophobicContact CG2-CD1 3.94Å; T1978-I2024 HydrophobicContact CG2-CG1 4.27Å; I2024-P2026 VanDerWaalsContact O-CD 3.26Å; I2024-P2026 WeakPolarHBondContact O-CD 3.38Å; I2024-K2030 WeakPolarHBondContact CA-O 3.5Å; I2024-I2031 HydrophobicContact CD1-CD1 4.49Å; I2024-I2031 HydrophobicContact CD1-CG1 4.1Å; I2024-I2031 HydrophobicContact CG1-CG1 3.92Å; I2024-F2060 HydrophobicContact CG1-CE1 4.09Å; I2024-C2061 HydrophobicContact CD1-CB 3.71Å; I2024-C2061 HydrophobicContact CG1-CB 3.97Å; I2024-T2062 PolarHBondContact N-O 2.95Å; I2024-V2063 HydrophobicContact CB-CG2 4.35Å
2025	D	43.6	Very low	48.2	Very low	40.4 Å²	40.4	67.1 Å²	67.1	22%	0.216	37%	0.368	C	S	.	.			trans	-70	113.4	171.2	177.4	-7.4	0	0	0	109.1	S2027 N2028 G2029 K2030 I2032	D2025-S2027 VanDerWaalsContact CG-OG 3.28Å; D2025-S2027 PolarHBondContact O-N 3.17Å; D2025-S2027 VanDerWaalsContact OD1-CB 3.28Å; D2025-S2027 WeakPolarHBondContact OD1-CB 3.23Å; D2025-S2027 PolarHBondContact OD1-N 3.26Å; D2025-S2027 PolarHBondContact OD1-OG 3.1Å; D2025-S2027 PolarHBondContact OD2-OG 3.16Å; D2025-N2028 HydrophobicContact CB-CB 4.36Å; D2025-N2028 PolarHBondContact O-N 3.05Å; D2025-N2028 PolarHBondContact OD2-ND2 3.3Å; D2025-G2029 WeakPolarHBondContact O-CA 3.44Å; D2025-G2029 PolarHBondContact O-N 3.19Å; D2025-K2030 PolarHBondContact N-O 3.1Å; D2025-K2030 VanDerWaalsContact N-O 3.1Å; D2025-I2032 HydrophobicContact CB-CD1 4.02Å; D2025-I2032 HydrophobicContact CB-CG1 4.39Å; D2025-I2032 HydrophobicContact CB-CG2 4.43Å
2026	P	47.2	Very low	48.1	Very low	104 Å²	104	69.6 Å²	69.6	68%	0.675	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-15.8	-175.9	31.1	-37.1	0	0	0	112.9	I2024 L2057 R2064	I2024-P2026 VanDerWaalsContact O-CD 3.26Å; I2024-P2026 WeakPolarHBondContact O-CD 3.38Å; P2026-L2057 HydrophobicContact CB-CD2 4.38Å; P2026-L2057 HydrophobicContact CG-CD2 3.92Å; P2026-R2064 HydrophobicContact CG-CB 4.34Å
2027	S	43.8	Very low	47.7	Very low	92.2 Å²	92.2	69.4 Å²	69.4	65%	0.645	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-28.2	177.4	71.2	0	0	0	0	113.1	D2025	D2025-S2027 VanDerWaalsContact CG-OG 3.28Å; D2025-S2027 PolarHBondContact O-N 3.17Å; D2025-S2027 VanDerWaalsContact OD1-CB 3.28Å; D2025-S2027 WeakPolarHBondContact OD1-CB 3.23Å; D2025-S2027 PolarHBondContact OD1-N 3.26Å; D2025-S2027 PolarHBondContact OD1-OG 3.1Å; D2025-S2027 PolarHBondContact OD2-OG 3.16Å
2028	N	51.3	Low	47	Very low	109 Å²	109	75.6 Å²	75.6	58%	0.583	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.1	-8.9	-170.9	-58.9	-44.6	0	0	0	114.4	D2025 K2030	D2025-N2028 HydrophobicContact CB-CB 4.36Å; D2025-N2028 PolarHBondContact O-N 3.05Å; D2025-N2028 PolarHBondContact OD2-ND2 3.3Å; N2028-K2030 HydrophobicContact CB-CB 4.2Å; N2028-K2030 PolarHBondContact O-N 3.13Å; N2028-K2030 WeakPolarHBondContact OD1-CB 3.47Å; N2028-K2030 VanDerWaalsContact OD1-CG 3.23Å; N2028-K2030 WeakPolarHBondContact OD1-CG 3.4Å; N2028-K2030 PolarHBondContact OD1-N 3.16Å
2029	G	48.9	Very low	46.4	Very low	46 Å²	46	81.7 Å²	81.7	47%	0.474	43%	0.428	S	S	.	.			trans	64.2	9.3	-176	0	0	0	0	0	114.4	K1963 D2025	K1963-G2029 PolarHBondContact NZ-O 2.92Å; K1963-G2029 VanDerWaalsContact NZ-O 3.08Å; D2025-G2029 WeakPolarHBondContact O-CA 3.44Å; D2025-G2029 PolarHBondContact O-N 3.19Å
2030	K	48.8	Very low	45.2	Very low	143.6 Å²	143.6	84.6 Å²	84.6	62%	0.624	46%	0.455	S	S	*	.			trans	-89.9	130.5	-175.2	-153	173.6	-178	178.5	0	109.6	I2024 D2025 N2028 I2032	I2024-K2030 WeakPolarHBondContact CA-O 3.5Å; D2025-K2030 PolarHBondContact N-O 3.1Å; D2025-K2030 VanDerWaalsContact N-O 3.1Å; N2028-K2030 HydrophobicContact CB-CB 4.2Å; N2028-K2030 PolarHBondContact O-N 3.13Å; N2028-K2030 WeakPolarHBondContact OD1-CB 3.47Å; N2028-K2030 VanDerWaalsContact OD1-CG 3.23Å; N2028-K2030 WeakPolarHBondContact OD1-CG 3.4Å; N2028-K2030 PolarHBondContact OD1-N 3.16Å; K2030-I2032 PolarHBondContact O-N 3.35Å
2031	I	52.6	Low	44.3	Very low	38.8 Å²	38.8	87.4 Å²	87.4	20%	0.199	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	123.6	168.6	-63	170.4	0	0	0	107.6	Q1959 L1960 K1963 L1966 C2022 T2023 I2024 L2033 F2060	Q1959-I2031 HydrophobicContact CB-CD1 3.99Å; L1960-I2031 HydrophobicContact CD2-CD1 3.93Å; L1960-I2031 HydrophobicContact CD2-CG1 4.29Å; L1960-I2031 HydrophobicContact CD2-CG2 4.12Å; L1960-I2031 HydrophobicContact CG-CD1 3.87Å; K1963-I2031 HydrophobicContact CB-CD1 3.92Å; K1963-I2031 HydrophobicContact CD-CB 4.34Å; K1963-I2031 HydrophobicContact CD-CD1 3.7Å; K1963-I2031 HydrophobicContact CD-CG1 4Å; K1963-I2031 HydrophobicContact CG-CD1 4.37Å; L1966-I2031 HydrophobicContact CD1-CD1 4.44Å; L1966-I2031 HydrophobicContact CD2-CD1 3.66Å; C2022-I2031 HydrophobicContact CB-CG2 3.93Å; T2023-I2031 CarbonylContact O-C 3.56Å; T2023-I2031 VanDerWaalsContact O-CA 3.23Å; T2023-I2031 WeakPolarHBondContact O-CA 3.35Å; T2023-I2031 WeakPolarHBondContact O-CG2 3.33Å; I2024-I2031 HydrophobicContact CD1-CD1 4.49Å; I2024-I2031 HydrophobicContact CD1-CG1 4.1Å; I2024-I2031 HydrophobicContact CG1-CG1 3.92Å; I2031-L2033 PolarHBondContact O-N 3.28Å; I2031-F2060 HydrophobicContact CB-CZ 4.41Å; I2031-F2060 HydrophobicContact CD1-CZ 3.97Å; I2031-F2060 HydrophobicContact CG1-CE1 4.45Å; I2031-F2060 HydrophobicContact CG1-CZ 3.94Å; I2031-F2060 HydrophobicContact CG2-CE2 4.39Å; I2031-F2060 HydrophobicContact CG2-CZ 3.66Å
2032	I	51.7	Low	43.3	Very low	65.2 Å²	65.2	90.5 Å²	90.5	33%	0.334	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.3	172.3	-43.9	175.9	0	0	0	107.5	C2022 T2023 D2025 K2030 S2034 Q2036 L2037	C2022-I2032 CarbonylContact C-O 3.52Å; C2022-I2032 VanDerWaalsContact CA-O 3.23Å; C2022-I2032 WeakPolarHBondContact CA-O 3.34Å; C2022-I2032 WeakPolarHBondContact CB-O 3.31Å; T2023-I2032 HydrophobicContact CG2-CD1 4.16Å; T2023-I2032 HydrophobicContact CG2-CG1 3.79Å; T2023-I2032 PolarHBondContact N-O 2.82Å; T2023-I2032 PolarHBondContact O-N 3.23Å; D2025-I2032 HydrophobicContact CB-CD1 4.02Å; D2025-I2032 HydrophobicContact CB-CG1 4.39Å; D2025-I2032 HydrophobicContact CB-CG2 4.43Å; K2030-I2032 PolarHBondContact O-N 3.35Å; I2032-S2034 PolarHBondContact O-N 2.99Å; I2032-Q2036 HydrophobicContact CG2-CB 4.42Å; I2032-L2037 HydrophobicContact CD1-CB 4.07Å; I2032-L2037 HydrophobicContact CD1-CD1 4.04Å
2033	L	48.9	Very low	42.2	Very low	84.2 Å²	84.2	97.5 Å²	97.5	44%	0.441	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	137.9	174.5	-148.7	85.8	0	0	0	109.5	T2020 I2031 T2035 Q2036 L2037 H2059	T2020-L2033 HydrophobicContact CG2-CD1 3.93Å; T2020-L2033 HydrophobicContact CG2-CD2 3.6Å; I2031-L2033 PolarHBondContact O-N 3.28Å; L2033-T2035 HydrophobicContact CD2-CG2 4.19Å; L2033-T2035 HydrophobicContact CG-CG2 4.39Å; L2033-T2035 PolarHBondContact O-N 3.13Å; L2033-Q2036 HydrophobicContact CB-CB 4.23Å; L2033-Q2036 HydrophobicContact CB-CG 3.94Å; L2033-Q2036 HydrophobicContact CD1-CG 4.43Å; L2033-Q2036 VanDerWaalsContact N-OE1 3.13Å; L2033-Q2036 WeakPolarHBondContact O-CB 3.45Å; L2033-Q2036 PolarHBondContact O-N 3.43Å; L2033-Q2036 VanDerWaalsContact O-N 3.1Å; L2033-L2037 PolarHBondContact O-N 2.72Å; L2033-H2059 HydrophobicContact CD1-CB 4.37Å
2034	S	46	Very low	41.5	Very low	31.6 Å²	31.6	102 Å²	102	22%	0.221	57%	0.571	C	S	.	*	T	Hydrogen-bonded Turn	trans	-68.8	36.7	-172.1	-38.4	0	0	0	0	113.1	D1979 W2021 C2022 T2023 I2032 Q2036 L2037 H2059 F2060 C2061	D1979-S2034 PolarHBondContact OD1-OG 3.3Å; D1979-S2034 VanDerWaalsContact OD1-OG 3.04Å; W2021-S2034 VanDerWaalsContact O-CB 3.28Å; W2021-S2034 WeakPolarHBondContact O-CB 3.39Å; W2021-S2034 PolarHBondContact O-N 3.22Å; W2021-S2034 PolarHBondContact O-OG 3.24Å; W2021-S2034 VanDerWaalsContact O-OG 3.12Å; C2022-S2034 VanDerWaalsContact CA-OG 3.31Å; C2022-S2034 WeakPolarHBondContact CA-OG 3.43Å; C2022-S2034 PolarHBondContact N-OG 3.04Å; C2022-S2034 VanDerWaalsContact N-OG 3.16Å; C2022-S2034 PolarHBondContact O-OG 3.08Å; T2023-S2034 VanDerWaalsContact CG2-OG 3.29Å; T2023-S2034 WeakPolarHBondContact CG2-OG 3.37Å; T2023-S2034 PolarHBondContact N-OG 2.89Å; I2032-S2034 PolarHBondContact O-N 2.99Å; S2034-Q2036 PolarHBondContact O-N 3.05Å; S2034-Q2036 VanDerWaalsContact O-N 3.09Å; S2034-L2037 PolarHBondContact O-N 3.46Å; S2034-H2059 VanDerWaalsContact CB-C 3.4Å; S2034-H2059 WeakPolarHBondContact CB-ND1 3.31Å; S2034-H2059 WeakPolarHBondContact CB-O 3.38Å; S2034-H2059 PolarHBondContact O-ND1 3.46Å; S2034-H2059 PolarHBondContact OG-ND1 3.41Å; S2034-F2060 VanDerWaalsContact C-C 3.44Å; S2034-F2060 CarbonylContact C-O 3.59Å; S2034-F2060 PolarHBondContact O-N 3.47Å; S2034-C2061 VanDerWaalsContact CB-N 3.33Å
2035	T	44.1	Very low	40.4	Very low	103.2 Å²	103.2	108.6 Å²	108.6	63%	0.633	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	34.4	-178.3	54.2	0	0	0	0	113.8	L2033 L2037 F2060 C2061	L2033-T2035 HydrophobicContact CD2-CG2 4.19Å; L2033-T2035 HydrophobicContact CG-CG2 4.39Å; L2033-T2035 PolarHBondContact O-N 3.13Å; T2035-L2037 VanDerWaalsContact C-N 3.34Å; T2035-L2037 PolarHBondContact O-N 3.48Å; T2035-F2060 CarbonylContact C-O 3.54Å; T2035-F2060 WeakPolarHBondContact CA-O 3.39Å; T2035-F2060 PolarHBondContact N-O 2.82Å; T2035-C2061 PolarHBondContact N-SG 2.91Å; T2035-C2061 VanDerWaalsContact N-SG 3.38Å
2036	Q	39.8	Very low	40	Very low	151 Å²	151	113.6 Å²	113.6	71%	0.706	62%	0.622	S	S	*	*			trans	-75.8	37	176	-88.3	-173.8	-27.5	0	0	114.5	I2032 L2033 S2034 Q2038 L2058 F2060	I2032-Q2036 HydrophobicContact CG2-CB 4.42Å; L2033-Q2036 HydrophobicContact CB-CB 4.23Å; L2033-Q2036 HydrophobicContact CB-CG 3.94Å; L2033-Q2036 HydrophobicContact CD1-CG 4.43Å; L2033-Q2036 VanDerWaalsContact N-OE1 3.13Å; L2033-Q2036 WeakPolarHBondContact O-CB 3.45Å; L2033-Q2036 PolarHBondContact O-N 3.43Å; L2033-Q2036 VanDerWaalsContact O-N 3.1Å; S2034-Q2036 PolarHBondContact O-N 3.05Å; S2034-Q2036 VanDerWaalsContact O-N 3.09Å; Q2036-Q2038 VanDerWaalsContact C-N 3.3Å; Q2036-Q2038 PolarHBondContact O-N 3.19Å; Q2036-L2058 VanDerWaalsContact NE2-CD1 3.3Å; Q2036-F2060 PolarHBondContact N-O 3.09Å
2037	L	37.8	Very low	39.5	Very low	126 Å²	126	114.5 Å²	114.5	66%	0.66	63%	0.628	S	S	*	*			trans	-88.8	106.1	167.3	-150.3	78.2	0	0	0	109.6	T2023 I2032 L2033 S2034 T2035 R2039 L2057	T2023-L2037 HydrophobicContact CG2-CB 4.43Å; I2032-L2037 HydrophobicContact CD1-CB 4.07Å; I2032-L2037 HydrophobicContact CD1-CD1 4.04Å; L2033-L2037 PolarHBondContact O-N 2.72Å; S2034-L2037 PolarHBondContact O-N 3.46Å; T2035-L2037 VanDerWaalsContact C-N 3.34Å; T2035-L2037 PolarHBondContact O-N 3.48Å; L2037-R2039 VanDerWaalsContact C-N 3.3Å; L2037-R2039 PolarHBondContact O-N 3.14Å; L2037-R2039 VanDerWaalsContact O-N 3.12Å; L2037-L2057 HydrophobicContact CD1-CD1 3.69Å; L2037-L2057 HydrophobicContact CD2-CD1 3.61Å; L2037-L2057 HydrophobicContact CG-CD1 4.31Å
2038	Q	31.6	Very low	39.3	Very low	182.6 Å²	182.6	116.5 Å²	116.5	85%	0.853	63%	0.631	S	S	*	*			trans	-76.4	94.2	-176.1	-155.8	-179.9	2.6	0	0	111	Q2036 S2040	Q2036-Q2038 VanDerWaalsContact C-N 3.3Å; Q2036-Q2038 PolarHBondContact O-N 3.19Å; Q2038-S2040 VanDerWaalsContact C-N 3.3Å; Q2038-S2040 WeakPolarHBondContact CB-OG 3.36Å; Q2038-S2040 PolarHBondContact O-N 3.13Å; Q2038-S2040 PolarHBondContact OE1-OG 3.44Å
2039	R	32.1	Very low	38.5	Very low	192 Å²	192	115 Å²	115	73%	0.725	64%	0.642	S	S	*	*			trans	-90.1	103.7	169	-100.3	-178.6	177.7	175.2	0.9	110.4	L1990 D1991 N2015 L2037 A2041	L1990-R2039 PolarHBondContact O-NH2 3.47Å; D1991-R2039 IonicContact OD1-CZ 3.75Å; D1991-R2039 IonicContact OD1-NH1 2.72Å; D1991-R2039 PolarHBondContact OD1-NH1 3.3Å; D1991-R2039 IonicContact OD1-NH2 2.68Å; D1991-R2039 PolarHBondContact OD1-NH2 3.41Å; D1991-R2039 IonicContact OD2-NH2 3.94Å; N2015-R2039 PolarHBondContact OD1-NH1 2.93Å; L2037-R2039 VanDerWaalsContact C-N 3.3Å; L2037-R2039 PolarHBondContact O-N 3.14Å; L2037-R2039 VanDerWaalsContact O-N 3.12Å; R2039-A2041 PolarHBondContact O-N 3.18Å
2040	S	26.2	Very low	37.6	Very low	113 Å²	113	122.5 Å²	122.5	79%	0.79	66%	0.656	S	S	*	*			trans	-83.9	84.1	-174.2	47.1	0	0	0	0	113.2	Q2038	Q2038-S2040 VanDerWaalsContact C-N 3.3Å; Q2038-S2040 WeakPolarHBondContact CB-OG 3.36Å; Q2038-S2040 PolarHBondContact O-N 3.13Å; Q2038-S2040 PolarHBondContact OE1-OG 3.44Å
2041	A	31.1	Very low	36.8	Very low	84 Å²	84	120.6 Å²	120.6	69%	0.694	66%	0.659	S	S	*	*			trans	-118.4	137.6	164.3	0	0	0	0	0	109.8	R2039 L2043	R2039-A2041 PolarHBondContact O-N 3.18Å; A2041-L2043 PolarHBondContact O-N 3.06Å
2042	P	30.1	Very low	35.9	Very low	119 Å²	119	123.1 Å²	123.1	77%	0.773	68%	0.677	S	S	*	*			trans	-73.1	138.4	-177.8	29.2	-34	0	0	0	111.9	V2044	P2042-V2044 VanDerWaalsContact C-N 3.27Å; P2042-V2044 PolarHBondContact O-N 3.11Å
2043	L	28.7	Very low	35	Very low	151.8 Å²	151.8	129.1 Å²	129.1	80%	0.795	70%	0.701	S	S	*	*			trans	-62.7	93.8	178.3	-174.2	74.1	0	0	0	112.2	A2041 K2045	A2041-L2043 PolarHBondContact O-N 3.06Å; L2043-K2045 VanDerWaalsContact C-N 3.32Å; L2043-K2045 HydrophobicContact CG-CG 4.47Å; L2043-K2045 PolarHBondContact O-N 3.28Å
2044	V	33.6	Very low	34.3	Very low	121.6 Å²	121.6	130.7 Å²	130.7	74%	0.737	71%	0.709	S	S	*	*			trans	-71.6	105.1	172.8	-179.9	0	0	0	0	109.3	P2042 M2046	P2042-V2044 VanDerWaalsContact C-N 3.27Å; P2042-V2044 PolarHBondContact O-N 3.11Å; V2044-M2046 PolarHBondContact O-N 3.17Å
2045	K	30.9	Very low	33.6	Very low	182 Å²	182	134.6 Å²	134.6	79%	0.791	73%	0.727	S	S	*	*			trans	-71	116.7	169.4	-80.3	-177	174.4	178.8	0	109.8	L2043	L2043-K2045 VanDerWaalsContact C-N 3.32Å; L2043-K2045 HydrophobicContact CG-CG 4.47Å; L2043-K2045 PolarHBondContact O-N 3.28Å
2046	M	35.7	Very low	33.1	Very low	144 Å²	144	137.7 Å²	137.7	71%	0.709	73%	0.728	S	S	*	*			trans	-68.2	141.4	161.2	-78.3	-70.7	-175	0	0	109.7	V2044 N2048 G2049	V2044-M2046 PolarHBondContact O-N 3.17Å; M2046-N2048 VanDerWaalsContact C-N 3.3Å; M2046-N2048 VanDerWaalsContact CB-OD1 3.31Å; M2046-N2048 WeakPolarHBondContact CB-OD1 3.32Å; M2046-N2048 PolarHBondContact O-N 3.16Å; M2046-N2048 VanDerWaalsContact O-N 3.09Å; M2046-G2049 PolarHBondContact O-N 3.2Å
2047	P	35.2	Very low	32.9	Very low	123.2 Å²	123.2	134.2 Å²	134.2	80%	0.8	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-7.8	-173.5	7.8	-8.4	0	0	0	114.9	G2049	P2047-G2049 PolarHBondContact O-N 2.9Å
2048	N	39.8	Very low	32.7	Very low	133.8 Å²	133.8	131.3 Å²	131.3	72%	0.716	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	24.3	-168.2	-42.5	18.3	0	0	0	113.6	M2046 R2050	M2046-N2048 VanDerWaalsContact C-N 3.3Å; M2046-N2048 VanDerWaalsContact CB-OD1 3.31Å; M2046-N2048 WeakPolarHBondContact CB-OD1 3.32Å; M2046-N2048 PolarHBondContact O-N 3.16Å; M2046-N2048 VanDerWaalsContact O-N 3.09Å; N2048-R2050 VanDerWaalsContact C-N 3.3Å; N2048-R2050 PolarHBondContact O-N 2.85Å
2049	G	34.8	Very low	32.9	Very low	78.6 Å²	78.6	126.5 Å²	126.5	81%	0.81	68%	0.675	S	S	*	*			trans	56.6	5	171.8	0	0	0	0	0	117.8	M2046 P2047	M2046-G2049 PolarHBondContact O-N 3.2Å; P2047-G2049 PolarHBondContact O-N 2.9Å
2050	R	30.7	Very low	33.1	Very low	202.4 Å²	202.4	120.8 Å²	120.8	76%	0.764	66%	0.656	S	S	*	*			trans	-93.9	125	175	-111.5	-179.1	-179.8	-169.5	-1.2	110.5	N2048	N2048-R2050 VanDerWaalsContact C-N 3.3Å; N2048-R2050 PolarHBondContact O-N 2.85Å
2051	P	31.3	Very low	33.5	Very low	104.6 Å²	104.6	117.6 Å²	117.6	68%	0.679	63%	0.633	S	S	*	*			trans	-69.5	139.5	171.7	29.5	-33.5	0	0	0	110.2	F2053	P2051-F2053 PolarHBondContact O-N 2.98Å
2052	P	33.6	Very low	33.6	Very low	90.6 Å²	90.6	117.7 Å²	117.7	59%	0.588	63%	0.625	S	S	*	*			trans	-70.6	137.1	171.7	30.3	-33.6	0	0	0	110.2	I2054 D2055	P2052-I2054 HydrophobicContact CB-CB 4.36Å; P2052-I2054 HydrophobicContact CB-CD1 4.1Å; P2052-I2054 HydrophobicContact CB-CG1 4.17Å; P2052-I2054 HydrophobicContact CG-CD1 4.05Å; P2052-I2054 HydrophobicContact CG-CG1 4.46Å; P2052-I2054 PolarHBondContact O-N 3.23Å; P2052-D2055 PolarHBondContact O-N 3.39Å
2053	F	33.6	Very low	33.8	Very low	192.8 Å²	192.8	115.7 Å²	115.7	85%	0.846	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	47.8	172.5	-101.8	-89.9	0	0	0	111.8	P2051	P2051-F2053 PolarHBondContact O-N 2.98Å
2054	I	33.8	Very low	33.9	Very low	116.6 Å²	116.6	117.7 Å²	117.7	60%	0.598	61%	0.608	S	S	*	*			trans	-104	56.6	174.3	-65.8	166.5	0	0	0	110	P2052 R2056 L2057	P2052-I2054 HydrophobicContact CB-CB 4.36Å; P2052-I2054 HydrophobicContact CB-CD1 4.1Å; P2052-I2054 HydrophobicContact CB-CG1 4.17Å; P2052-I2054 HydrophobicContact CG-CD1 4.05Å; P2052-I2054 HydrophobicContact CG-CG1 4.46Å; P2052-I2054 PolarHBondContact O-N 3.23Å; I2054-R2056 PolarHBondContact O-N 3.07Å; I2054-L2057 HydrophobicContact CG2-CD1 4.3Å
2055	D	31.6	Very low	33.7	Very low	113.4 Å²	113.4	115.8 Å²	115.8	61%	0.606	60%	0.6	S	S	*	*			trans	-110.2	80.4	169.1	-107.6	-20.3	0	0	0	111.7	P2052 L2057	P2052-D2055 PolarHBondContact O-N 3.39Å; D2055-L2057 WeakPolarHBondContact OD1-CD1 3.24Å
2056	R	33.3	Very low	33.6	Very low	169.6 Å²	169.6	112.5 Å²	112.5	64%	0.64	59%	0.591	S	S	*	*			trans	-115.9	65.2	172.9	-66.3	169.5	-174.8	-136.3	-7	114.9	D1904 Y2017 I2054 L2058	D1904-R2056 IonicContact OD1-CZ 3.73Å; D1904-R2056 IonicContact OD1-NH1 3.98Å; D1904-R2056 IonicContact OD1-NH2 2.71Å; D1904-R2056 PolarHBondContact OD1-NH2 3.17Å; D1904-R2056 IonicContact OD2-CZ 3.22Å; D1904-R2056 VanDerWaalsContact OD2-CZ 3.22Å; D1904-R2056 IonicContact OD2-NH1 2.76Å; D1904-R2056 PolarHBondContact OD2-NH1 3.48Å; D1904-R2056 IonicContact OD2-NH2 2.96Å; D1904-R2056 PolarHBondContact OD2-NH2 3.02Å; Y2017-R2056 HydrophobicContact CD1-CB 4.42Å; Y2017-R2056 VanDerWaalsContact CZ-NH1 3.27Å; Y2017-R2056 PolarHBondContact OH-NH1 3.46Å; I2054-R2056 PolarHBondContact O-N 3.07Å; R2056-L2058 PolarHBondContact O-N 3.39Å; R2056-L2058 VanDerWaalsContact O-N 3.15Å
2057	L	34.4	Very low	33.4	Very low	76 Å²	76	110.5 Å²	110.5	40%	0.398	59%	0.587	S	S	.	*			trans	-108.6	74.3	166	-81.7	165.8	0	0	0	112.2	L1969 L2018 T2020 P2026 L2037 I2054 D2055 H2059 F2060	L1969-L2057 HydrophobicContact CD1-CD2 4.37Å; L1969-L2057 HydrophobicContact CD2-CD1 3.84Å; L1969-L2057 HydrophobicContact CG-CD1 4Å; L1969-L2057 HydrophobicContact CG-CD2 4.39Å; L2018-L2057 HydrophobicContact CD1-CB 4.44Å; L2018-L2057 HydrophobicContact CD2-CD2 4.03Å; T2020-L2057 VanDerWaalsContact OG1-CD2 3.25Å; T2020-L2057 WeakPolarHBondContact OG1-CD2 3.48Å; P2026-L2057 HydrophobicContact CB-CD2 4.38Å; P2026-L2057 HydrophobicContact CG-CD2 3.92Å; L2037-L2057 HydrophobicContact CD1-CD1 3.69Å; L2037-L2057 HydrophobicContact CD2-CD1 3.61Å; L2037-L2057 HydrophobicContact CG-CD1 4.31Å; I2054-L2057 HydrophobicContact CG2-CD1 4.3Å; D2055-L2057 WeakPolarHBondContact OD1-CD1 3.24Å; L2057-H2059 VanDerWaalsContact C-N 3.33Å; L2057-H2059 VanDerWaalsContact CD2-CD2 3.41Å; L2057-H2059 WeakPolarHBondContact CD2-CD2 3.32Å; L2057-H2059 WeakPolarHBondContact CD2-NE2 3.49Å; L2057-H2059 PolarHBondContact O-CD2 3.05Å; L2057-H2059 PolarHBondContact O-N 3.22Å; L2057-H2059 VanDerWaalsContact O-N 3.09Å; L2057-F2060 HydrophobicContact CD2-CE2 3.88Å
2058	L	34.9	Very low	33.1	Very low	66.4 Å²	66.4	109.9 Å²	109.9	35%	0.348	58%	0.581	S	S	.	*			trans	-85	83.3	172	-98.7	148.7	0	0	0	110.4	I1900 I1975 A1992 Y2017 L2018 F2019 T2020 T2023 Q2036 R2056 F2060	I1900-L2058 HydrophobicContact CD1-CD2 4.21Å; I1975-L2058 HydrophobicContact CD1-CD2 3.79Å; I1975-L2058 HydrophobicContact CG1-CD2 3.88Å; A1992-L2058 HydrophobicContact CB-CD1 3.94Å; Y2017-L2058 HydrophobicContact CD1-CD1 3.69Å; Y2017-L2058 HydrophobicContact CG-CD1 4.18Å; L2018-L2058 PolarHBondContact O-N 3.4Å; F2019-L2058 HydrophobicContact CB-CD2 3.87Å; F2019-L2058 HydrophobicContact CD1-CB 3.89Å; F2019-L2058 HydrophobicContact CD1-CD1 4.1Å; F2019-L2058 HydrophobicContact CE1-CB 4.37Å; F2019-L2058 HydrophobicContact CE1-CD1 3.79Å; T2020-L2058 PolarHBondContact N-O 3.34Å; T2023-L2058 PolarHBondContact OG1-O 3.33Å; Q2036-L2058 VanDerWaalsContact NE2-CD1 3.3Å; R2056-L2058 PolarHBondContact O-N 3.39Å; R2056-L2058 VanDerWaalsContact O-N 3.15Å; L2058-F2060 HydrophobicContact CB-CD2 4.17Å; L2058-F2060 HydrophobicContact CB-CE2 4.06Å; L2058-F2060 HydrophobicContact CD1-CE2 4.38Å; L2058-F2060 HydrophobicContact CD2-CE2 3.85Å; L2058-F2060 HydrophobicContact CD2-CZ 4.19Å; L2058-F2060 HydrophobicContact CG-CE2 4.24Å; L2058-F2060 PolarHBondContact O-N 3.12Å
2059	H	34.9	Very low	32.5	Very low	81.4 Å²	81.4	110.4 Å²	110.4	38%	0.377	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.4	109.7	175.5	-87.4	-63.9	0	0	0	110.8	T2020 W2021 C2022 L2033 S2034 L2057	T2020-H2059 WeakPolarHBondContact O-CA 3.4Å; W2021-H2059 WeakPolarHBondContact CB-O 3.45Å; W2021-H2059 HydrophobicContact CE3-CB 4.44Å; C2022-H2059 CarbonylContact O-C 3.54Å; C2022-H2059 VanDerWaalsContact O-CA 3.23Å; C2022-H2059 WeakPolarHBondContact O-CA 3.48Å; L2033-H2059 HydrophobicContact CD1-CB 4.37Å; S2034-H2059 VanDerWaalsContact CB-C 3.4Å; S2034-H2059 WeakPolarHBondContact CB-ND1 3.31Å; S2034-H2059 WeakPolarHBondContact CB-O 3.38Å; S2034-H2059 PolarHBondContact O-ND1 3.46Å; S2034-H2059 PolarHBondContact OG-ND1 3.41Å; L2057-H2059 VanDerWaalsContact C-N 3.33Å; L2057-H2059 VanDerWaalsContact CD2-CD2 3.41Å; L2057-H2059 WeakPolarHBondContact CD2-CD2 3.32Å; L2057-H2059 WeakPolarHBondContact CD2-NE2 3.49Å; L2057-H2059 PolarHBondContact O-CD2 3.05Å; L2057-H2059 PolarHBondContact O-N 3.22Å; L2057-H2059 VanDerWaalsContact O-N 3.09Å
2060	F	36.6	Very low	32.2	Very low	72 Å²	72	113.5 Å²	113.5	32%	0.316	58%	0.578	S	S	.	*			trans	-110.1	132.5	169.7	-55.5	-82.7	0	0	0	110.7	L1966 I1975 F2019 T2020 W2021 C2022 I2024 I2031 S2034 T2035 Q2036 L2057 L2058 T2062	L1966-F2060 HydrophobicContact CD2-CD2 4.06Å; L1966-F2060 HydrophobicContact CD2-CE2 3.99Å; L1966-F2060 HydrophobicContact CD2-CZ 4.46Å; I1975-F2060 HydrophobicContact CB-CD1 4.06Å; I1975-F2060 HydrophobicContact CB-CE1 3.83Å; I1975-F2060 HydrophobicContact CD1-CE1 4.29Å; I1975-F2060 HydrophobicContact CG2-CD1 4.1Å; I1975-F2060 HydrophobicContact CG2-CE1 3.73Å; I1975-F2060 WeakPolarHBondContact O-CA 3.35Å; I1975-F2060 WeakPolarHBondContact O-CD1 3.47Å; F2019-F2060 HydrophobicContact CB-CE2 3.91Å; F2019-F2060 AromaticContact CD1-CE2 3.39Å; F2019-F2060 HydrophobicContact CD1-CE2 3.39Å; F2019-F2060 AromaticContact CD1-CZ 3.59Å; F2019-F2060 HydrophobicContact CD1-CZ 3.59Å; F2019-F2060 HydrophobicContact CE1-CE2 4.2Å; F2019-F2060 AromaticContact CE1-CZ 3.92Å; F2019-F2060 HydrophobicContact CE1-CZ 3.92Å; F2019-F2060 AromaticContact CG-CE2 3.94Å; F2019-F2060 HydrophobicContact CG-CE2 3.94Å; F2019-F2060 HydrophobicContact CG-CZ 4.44Å; T2020-F2060 PolarHBondContact O-N 3.24Å; W2021-F2060 AromaticContact CD1-CD1 3.43Å; W2021-F2060 VanDerWaalsContact CD1-CD1 3.43Å; W2021-F2060 AromaticContact CD1-CE1 3.38Å; W2021-F2060 AromaticContact CD1-CG 3.97Å; W2021-F2060 AromaticContact CD1-CZ 3.89Å; W2021-F2060 AromaticContact CD2-CD2 3.78Å; W2021-F2060 HydrophobicContact CD2-CD2 3.78Å; W2021-F2060 HydrophobicContact CD2-CE1 4.31Å; W2021-F2060 HydrophobicContact CD2-CE2 4.37Å; W2021-F2060 HydrophobicContact CD2-CG 4.46Å; W2021-F2060 AromaticContact CE2-CE1 3.73Å; W2021-F2060 HydrophobicContact CE3-CB 3.75Å; W2021-F2060 AromaticContact CE3-CD2 3.46Å; W2021-F2060 HydrophobicContact CE3-CD2 3.46Å; W2021-F2060 VanDerWaalsContact CE3-CD2 3.46Å; W2021-F2060 HydrophobicContact CE3-CE2 4.19Å; W2021-F2060 AromaticContact CE3-CG 3.73Å; W2021-F2060 HydrophobicContact CE3-CG 3.73Å; W2021-F2060 HydrophobicContact CG-CD1 4.02Å; W2021-F2060 HydrophobicContact CG-CE1 4.12Å; W2021-F2060 AromaticContact CH2-CD2 3.74Å; W2021-F2060 HydrophobicContact CH2-CD2 3.74Å; W2021-F2060 AromaticContact CH2-CE2 3.6Å; W2021-F2060 HydrophobicContact CH2-CE2 3.6Å; W2021-F2060 HydrophobicContact CH2-CG 4.26Å; W2021-F2060 HydrophobicContact CH2-CZ 4.04Å; W2021-F2060 HydrophobicContact CZ2-CD2 4.06Å; W2021-F2060 HydrophobicContact CZ2-CE1 4.41Å; W2021-F2060 AromaticContact CZ2-CE2 3.83Å; W2021-F2060 HydrophobicContact CZ2-CE2 3.83Å; W2021-F2060 HydrophobicContact CZ3-CB 4.05Å; W2021-F2060 HydrophobicContact CZ3-CD1 4.14Å; W2021-F2060 AromaticContact CZ3-CD2 3.44Å; W2021-F2060 HydrophobicContact CZ3-CD2 3.44Å; W2021-F2060 VanDerWaalsContact CZ3-CD2 3.44Å; W2021-F2060 HydrophobicContact CZ3-CE1 4.47Å; W2021-F2060 AromaticContact CZ3-CE2 3.81Å; W2021-F2060 HydrophobicContact CZ3-CE2 3.81Å; W2021-F2060 AromaticContact CZ3-CG 3.61Å; W2021-F2060 HydrophobicContact CZ3-CG 3.61Å; W2021-F2060 HydrophobicContact CZ3-CZ 4.32Å; W2021-F2060 AromaticContact NE1-CD1 3.71Å; W2021-F2060 AromaticContact NE1-CE1 3.11Å; W2021-F2060 AromaticContact NE1-CZ 3.38Å; C2022-F2060 CarbonylContact C-O 3.56Å; C2022-F2060 WeakPolarHBondContact CA-O 3.45Å; C2022-F2060 HydrophobicContact CB-CD2 4.07Å; C2022-F2060 HydrophobicContact CB-CE1 4.23Å; C2022-F2060 HydrophobicContact CB-CE2 3.48Å; C2022-F2060 VanDerWaalsContact CB-CE2 3.48Å; C2022-F2060 HydrophobicContact CB-CZ 3.6Å; C2022-F2060 VanDerWaalsContact CB-O 3.27Å; C2022-F2060 WeakPolarHBondContact CB-O 3.37Å; C2022-F2060 PolarHBondContact N-O 3.44Å; C2022-F2060 PolarHBondContact O-N 3.4Å; C2022-F2060 VanDerWaalsContact O-O 3.06Å; I2024-F2060 HydrophobicContact CG1-CE1 4.09Å; I2031-F2060 HydrophobicContact CB-CZ 4.41Å; I2031-F2060 HydrophobicContact CD1-CZ 3.97Å; I2031-F2060 HydrophobicContact CG1-CE1 4.45Å; I2031-F2060 HydrophobicContact CG1-CZ 3.94Å; I2031-F2060 HydrophobicContact CG2-CE2 4.39Å; I2031-F2060 HydrophobicContact CG2-CZ 3.66Å; S2034-F2060 VanDerWaalsContact C-C 3.44Å; S2034-F2060 CarbonylContact C-O 3.59Å; S2034-F2060 PolarHBondContact O-N 3.47Å; T2035-F2060 CarbonylContact C-O 3.54Å; T2035-F2060 WeakPolarHBondContact CA-O 3.39Å; T2035-F2060 PolarHBondContact N-O 2.82Å; Q2036-F2060 PolarHBondContact N-O 3.09Å; L2057-F2060 HydrophobicContact CD2-CE2 3.88Å; L2058-F2060 HydrophobicContact CB-CD2 4.17Å; L2058-F2060 HydrophobicContact CB-CE2 4.06Å; L2058-F2060 HydrophobicContact CD1-CE2 4.38Å; L2058-F2060 HydrophobicContact CD2-CE2 3.85Å; L2058-F2060 HydrophobicContact CD2-CZ 4.19Å; L2058-F2060 HydrophobicContact CG-CE2 4.24Å; L2058-F2060 PolarHBondContact O-N 3.12Å; F2060-T2062 HydrophobicContact CD2-CG2 4.36Å; F2060-T2062 HydrophobicContact CE2-CG2 4.17Å
2061	C	35.2	Very low	32.1	Very low	45.6 Å²	45.6	109.1 Å²	109.1	31%	0.308	57%	0.574	S	S	.	*			trans	-115.9	123.1	168	-116.7	0	0	0	0	111.4	L1976 A1977 F2019 T2020 W2021 C2022 T2023 I2024 S2034 T2035 V2063	L1976-C2061 HydrophobicContact CD2-CB 3.84Å; A1977-C2061 PolarHBondContact N-O 3.26Å; F2019-C2061 WeakPolarHBondContact CB-SG 3.4Å; T2020-C2061 WeakPolarHBondContact O-CA 3.39Å; T2020-C2061 PolarHBondContact O-SG 3.3Å; W2021-C2061 HydrophobicContact CD2-CB 3.83Å; W2021-C2061 HydrophobicContact CE3-CB 3.63Å; W2021-C2061 HydrophobicContact CH2-CB 3.83Å; W2021-C2061 HydrophobicContact CZ2-CB 3.99Å; W2021-C2061 HydrophobicContact CZ3-CB 3.63Å; C2022-C2061 VanDerWaalsContact O-CA 3.32Å; C2022-C2061 WeakPolarHBondContact O-CA 3.46Å; T2023-C2061 HydrophobicContact CG2-CB 3.5Å; T2023-C2061 VanDerWaalsContact CG2-CB 3.5Å; I2024-C2061 HydrophobicContact CD1-CB 3.71Å; I2024-C2061 HydrophobicContact CG1-CB 3.97Å; S2034-C2061 VanDerWaalsContact CB-N 3.33Å; T2035-C2061 PolarHBondContact N-SG 2.91Å; T2035-C2061 VanDerWaalsContact N-SG 3.38Å; C2061-V2063 PolarHBondContact O-N 2.82Å
2062	T	33.8	Very low	32.1	Very low	87.2 Å²	87.2	110.6 Å²	110.6	54%	0.535	58%	0.582	S	S	.	*			trans	-94.2	120.2	163.6	59.4	0	0	0	0	109.3	A1977 D1979 I1982 T2020 C2022 T2023 I2024 F2060 R2064	A1977-T2062 WeakPolarHBondContact O-CA 3.31Å; D1979-T2062 WeakPolarHBondContact OD1-CB 3.29Å; D1979-T2062 PolarHBondContact OD1-OG1 3.48Å; D1979-T2062 PolarHBondContact OD2-OG1 3.42Å; I1982-T2062 HydrophobicContact CD1-CG2 3.49Å; I1982-T2062 VanDerWaalsContact CD1-CG2 3.49Å; T2020-T2062 PolarHBondContact N-O 2.87Å; T2020-T2062 PolarHBondContact O-N 2.98Å; T2020-T2062 PolarHBondContact O-OG1 3.45Å; C2022-T2062 PolarHBondContact O-N 3.37Å; T2023-T2062 HydrophobicContact CG2-CG2 4.4Å; I2024-T2062 PolarHBondContact N-O 2.95Å; F2060-T2062 HydrophobicContact CD2-CG2 4.36Å; F2060-T2062 HydrophobicContact CE2-CG2 4.17Å; T2062-R2064 PolarHBondContact O-N 2.96Å
2063	V	33.3	Very low	32	Very low	76.8 Å²	76.8	112.4 Å²	112.4	47%	0.465	59%	0.591	S	S	.	*			trans	-85.7	116.5	171.5	-175.3	0	0	0	0	108.3	L1960 L2018 F2019 I2024 C2061 S2065	L1960-V2063 HydrophobicContact CD2-CB 3.98Å; L1960-V2063 HydrophobicContact CD2-CG2 3.63Å; L2018-V2063 HydrophobicContact CD1-CG1 3.94Å; L2018-V2063 HydrophobicContact CG-CG1 3.88Å; L2018-V2063 CarbonylContact O-C 3.49Å; L2018-V2063 WeakPolarHBondContact O-CA 3.49Å; L2018-V2063 WeakPolarHBondContact O-CG1 3.33Å; F2019-V2063 HydrophobicContact CD1-CB 4.44Å; F2019-V2063 HydrophobicContact CD1-CG1 4.13Å; F2019-V2063 HydrophobicContact CD1-CG2 4.07Å; F2019-V2063 HydrophobicContact CE1-CB 4.46Å; F2019-V2063 HydrophobicContact CE1-CG1 3.95Å; F2019-V2063 HydrophobicContact CE1-CG2 3.87Å; I2024-V2063 HydrophobicContact CB-CG2 4.35Å; C2061-V2063 PolarHBondContact O-N 2.82Å; V2063-S2065 PolarHBondContact O-N 3.22Å
2064	R	30	Very low	31.8	Very low	193 Å²	193	107.5 Å²	107.5	73%	0.728	59%	0.586	S	S	*	*			trans	-80	110.7	172.1	-171.5	-178.5	-174	116.5	-0.1	109.2	L2018 P2026 T2062 N2066	L2018-R2064 PolarHBondContact O-N 2.75Å; P2026-R2064 HydrophobicContact CG-CB 4.34Å; T2062-R2064 PolarHBondContact O-N 2.96Å; R2064-N2066 VanDerWaalsContact C-N 3.33Å; R2064-N2066 PolarHBondContact NE-OD1 3.22Å; R2064-N2066 PolarHBondContact O-N 3.1Å; R2064-N2066 VanDerWaalsContact O-N 3.15Å
2065	S	30	Very low	31.7	Very low	81.4 Å²	81.4	107.8 Å²	107.8	57%	0.569	60%	0.596	S	S	*	*			trans	-70.4	102.2	172.3	-170.7	0	0	0	0	109.1	V2063 V2067	V2063-S2065 PolarHBondContact O-N 3.22Å; S2065-V2067 VanDerWaalsContact C-N 3.34Å; S2065-V2067 PolarHBondContact O-N 3.2Å; S2065-V2067 VanDerWaalsContact O-N 3.1Å; S2065-V2067 WeakPolarHBondContact OG-CG2 3.3Å
2066	N	30.1	Very low	31.7	Very low	112.4 Å²	112.4	106.9 Å²	106.9	60%	0.601	60%	0.604	S	S	*	*			trans	-75.6	83.2	166.6	-79	-7.1	0	0	0	108.5	R2064 T2068	R2064-N2066 VanDerWaalsContact C-N 3.33Å; R2064-N2066 PolarHBondContact NE-OD1 3.22Å; R2064-N2066 PolarHBondContact O-N 3.1Å; R2064-N2066 VanDerWaalsContact O-N 3.15Å; N2066-T2068 VanDerWaalsContact C-N 3.34Å; N2066-T2068 PolarHBondContact O-N 3.34Å; N2066-T2068 VanDerWaalsContact O-N 3.11Å; N2066-T2068 PolarHBondContact O-OG1 3.29Å
2067	V	29.9	Very low	31.7	Very low	103 Å²	103	104.8 Å²	104.8	62%	0.624	61%	0.61	S	S	*	*			trans	-67.9	93.9	161.2	-179	0	0	0	0	106.7	S2065 M2069	S2065-V2067 VanDerWaalsContact C-N 3.34Å; S2065-V2067 PolarHBondContact O-N 3.2Å; S2065-V2067 VanDerWaalsContact O-N 3.1Å; S2065-V2067 WeakPolarHBondContact OG-CG2 3.3Å; V2067-M2069 HydrophobicContact CG1-CE 4.33Å; V2067-M2069 HydrophobicContact CG1-CG 4.35Å; V2067-M2069 HydrophobicContact CG1-SD 4.02Å; V2067-M2069 PolarHBondContact O-N 3.19Å
2068	T	28.5	Very low	31.5	Very low	110.8 Å²	110.8	109.7 Å²	109.7	68%	0.68	63%	0.631	S	S	*	*			trans	-66.7	92.9	171.9	-32.6	0	0	0	0	108.3	N2066 N2070	N2066-T2068 VanDerWaalsContact C-N 3.34Å; N2066-T2068 PolarHBondContact O-N 3.34Å; N2066-T2068 VanDerWaalsContact O-N 3.11Å; N2066-T2068 PolarHBondContact O-OG1 3.29Å; T2068-N2070 PolarHBondContact O-N 3.15Å; T2068-N2070 VanDerWaalsContact O-N 3.11Å
2069	M	28.2	Very low	31.3	Very low	144.4 Å²	144.4	112.8 Å²	112.8	71%	0.711	65%	0.653	S	S	*	*			trans	-65	97.3	170.7	-78.1	-69.2	-160	0	0	108.7	V2067 T2071	V2067-M2069 HydrophobicContact CG1-CE 4.33Å; V2067-M2069 HydrophobicContact CG1-CG 4.35Å; V2067-M2069 HydrophobicContact CG1-SD 4.02Å; V2067-M2069 PolarHBondContact O-N 3.19Å; M2069-T2071 VanDerWaalsContact C-N 3.29Å; M2069-T2071 HydrophobicContact CB-CG2 4.38Å; M2069-T2071 PolarHBondContact O-N 3.17Å; M2069-T2071 PolarHBondContact O-OG1 3.18Å
2070	N	28.3	Very low	31.2	Very low	142.4 Å²	142.4	112.9 Å²	112.9	76%	0.761	67%	0.668	S	S	*	*			trans	-73.9	67.8	168.9	-76.1	-10	0	0	0	109.6	T2068 T2072	T2068-N2070 PolarHBondContact O-N 3.15Å; T2068-N2070 VanDerWaalsContact O-N 3.11Å; N2070-T2072 PolarHBondContact O-N 3.29Å; N2070-T2072 PolarHBondContact O-OG1 3Å
2071	T	29.4	Very low	30.9	Very low	109.8 Å²	109.8	115.3 Å²	115.3	67%	0.674	69%	0.689	S	S	*	*			trans	-80.2	98.2	166.2	44	0	0	0	0	109	M2069 T2073	M2069-T2071 VanDerWaalsContact C-N 3.29Å; M2069-T2071 HydrophobicContact CB-CG2 4.38Å; M2069-T2071 PolarHBondContact O-N 3.17Å; M2069-T2071 PolarHBondContact O-OG1 3.18Å; T2071-T2073 PolarHBondContact O-N 3.17Å; T2071-T2073 PolarHBondContact O-OG1 3.05Å
2072	T	30.8	Very low	30.6	Very low	137.4 Å²	137.4	119.9 Å²	119.9	84%	0.843	71%	0.71	S	S	*	*			trans	-74.7	99.1	173.8	-44.1	0	0	0	0	110.4	N2070 A2074	N2070-T2072 PolarHBondContact O-N 3.29Å; N2070-T2072 PolarHBondContact O-OG1 3Å; T2072-A2074 PolarHBondContact O-N 2.89Å
2073	T	31.3	Very low	30.4	Very low	127.8 Å²	127.8	121.8 Å²	121.8	78%	0.784	72%	0.722	S	S	*	*			trans	-60.6	120.8	169.6	46.3	0	0	0	0	112.6	T2071	T2071-T2073 PolarHBondContact O-N 3.17Å; T2071-T2073 PolarHBondContact O-OG1 3.05Å
2074	A	30	Very low	30.1	Very low	90.2 Å²	90.2	122.7 Å²	122.7	75%	0.745	73%	0.732	S	S	*	*			trans	-84	151.5	165.1	0	0	0	0	0	112	T2072 A2076	T2072-A2074 PolarHBondContact O-N 2.89Å; A2074-A2076 PolarHBondContact O-N 3.43Å; A2074-A2076 VanDerWaalsContact O-N 3.13Å
2075	P	31.5	Very low	30.1	Very low	123.6 Å²	123.6	121.3 Å²	121.3	80%	0.803	74%	0.737	S	S	*	*			trans	-96.2	139.5	-177.2	35.1	-32.3	0	0	0	114.4	T2077	P2075-T2077 PolarHBondContact O-N 3.14Å; P2075-T2077 PolarHBondContact O-OG1 2.71Å
2076	A	31.5	Very low	30	Very low	93.8 Å²	93.8	122.4 Å²	122.4	78%	0.775	75%	0.745	S	S	*	*			trans	-33.8	135.6	166.5	0	0	0	0	0	113	A2074 E2078	A2074-A2076 PolarHBondContact O-N 3.43Å; A2074-A2076 VanDerWaalsContact O-N 3.13Å; A2076-E2078 PolarHBondContact O-N 3.4Å
2077	T	32.5	Very low	30	Very low	125.4 Å²	125.4	122 Å²	122	77%	0.769	75%	0.751	S	S	*	*			trans	-121.3	129.8	-175.3	5	0	0	0	0	109.4	P2075 T2079	P2075-T2077 PolarHBondContact O-N 3.14Å; P2075-T2077 PolarHBondContact O-OG1 2.71Å; T2077-T2079 PolarHBondContact O-N 2.87Å
2078	E	30.9	Very low	29.9	Very low	178.2 Å²	178.2	126.5 Å²	126.5	83%	0.833	76%	0.762	S	S	*	*			trans	-39.6	148.8	144.6	-80.2	175.7	-169.7	0	0	115.2	A2076 A2080	A2076-E2078 PolarHBondContact O-N 3.4Å; E2078-A2080 PolarHBondContact O-N 3.49Å
2079	T	31.2	Very low	29.8	Very low	132.2 Å²	132.2	128.8 Å²	128.8	81%	0.811	77%	0.769	S	S	*	*			trans	-122.1	147.1	-179	-16.8	0	0	0	0	110.6	T2077	T2077-T2079 PolarHBondContact O-N 2.87Å
2080	A	31.6	Very low	30	Very low	83.8 Å²	83.8	127.1 Å²	127.1	69%	0.693	77%	0.769	S	S	*	*			trans	-172.8	130.6	160.5	0	0	0	0	0	115.5	E2078	E2078-A2080 PolarHBondContact O-N 3.49Å
2081	T	30.3	Very low	29.9	Very low	122.8 Å²	122.8	129.9 Å²	129.9	75%	0.753	77%	0.77	S	S	*	*			trans	175.7	140.8	131.7	34.5	0	0	0	0	115.2
2082	N	29.2	Very low	29.8	Very low	140.8 Å²	140.8	130.1 Å²	130.1	75%	0.753	77%	0.771	S	S	*	*			trans	166.4	143.6	130.8	-74.1	-19.9	0	0	0	116.7
2083	T	30.3	Very low	29.5	Very low	127.8 Å²	127.8	131 Å²	131	78%	0.784	77%	0.766	S	S	*	*				82.8	131.9	127.8	26.8	0	0	0	0	117.6
2084	S	26.9	Very low	29.3	Very low	96.6 Å²	96.6	130.2 Å²	130.2	68%	0.676	77%	0.765	S	S	*	*				62.3	148.9	126.3	60.2	0	0	0	0	119.5
2085	I	30.5	Very low	29.1	Very low	163.6 Å²	163.6	132.1 Å²	132.1	84%	0.839	77%	0.768	S	S	*	*			trans	101.4	124.1	144.7	-67.1	161.7	0	0	0	115.8
2086	S	26.8	Very low	29.1	Very low	103.6 Å²	103.6	131.8 Å²	131.8	72%	0.724	77%	0.769	S	S	*	*			trans	151.8	139.9	132.9	-168	0	0	0	0	116.3
2087	S	29.7	Very low	29	Very low	104.4 Å²	104.4	136.2 Å²	136.2	73%	0.73	77%	0.773	S	S	*	*			trans	82.7	136.6	143.4	54.5	0	0	0	0	117.8
2088	K	28	Very low	28.8	Very low	197 Å²	197	134.9 Å²	134.9	86%	0.857	77%	0.769	S	S	*	*				-179.6	140.9	109.1	-85.6	169	179.4	178.6	0	115.3
2089	L	27.1	Very low	28.7	Very low	158.2 Å²	158.2	132.8 Å²	132.8	83%	0.828	76%	0.764	S	S	*	*			trans	-156.6	168.7	136.1	-121.8	75.3	0	0	0	111.3
2090	P	32.1	Very low	28.5	Very low	110.6 Å²	110.6	135.3 Å²	135.3	72%	0.718	76%	0.764	S	S	*	*			trans	-118.9	-175.9	-148.9	42.7	-29.4	0	0	0	113.6
2091	Y	26	Very low	28.4	Very low	200.8 Å²	200.8	140.2 Å²	140.2	79%	0.787	77%	0.772	S	S	*	*			trans	177.7	161.2	157.7	-144.2	-124	0	0	0	112.4	E2093 M2294	Y2091-E2093 WeakPolarHBondContact CE1-O 3.33Å; Y2091-M2294 PolarHBondContact OH-SD 2.86Å
2092	V	27.9	Very low	28.3	Very low	113.8 Å²	113.8	140.9 Å²	140.9	69%	0.69	78%	0.776	S	S	*	*			trans	-145	144.6	156.2	-175.4	0	0	0	0	110.7
2093	E	25	Very low	28.1	Very low	155.8 Å²	155.8	139.6 Å²	139.6	73%	0.728	78%	0.776	S	S	*	*			trans	-72.6	142.7	161.9	-159.7	161	-139	0	0	114.2	Y2091 T2095 M2294	Y2091-E2093 WeakPolarHBondContact CE1-O 3.33Å; E2093-T2095 HydrophobicContact CG-CG2 4.17Å; E2093-M2294 WeakPolarHBondContact OE2-CE 3.4Å
2094	S	26.7	Very low	27.9	Very low	110.2 Å²	110.2	138.5 Å²	138.5	77%	0.771	77%	0.774	S	S	*	*			trans	-157.1	143.7	161	51.9	0	0	0	0	112.8
2095	T	25.8	Very low	27.8	Very low	130.8 Å²	130.8	141.1 Å²	141.1	80%	0.802	78%	0.78	S	S	*	*			trans	-95.7	147.6	175	45.7	0	0	0	0	113.8	E2093	E2093-T2095 HydrophobicContact CG-CG2 4.17Å
2096	S	31.5	Very low	27.6	Very low	117.6 Å²	117.6	142 Å²	142	82%	0.822	78%	0.778	S	S	*	*				-161.8	147	125.5	51.5	0	0	0	0	111.5
2097	E	28	Very low	27.5	Very low	185.4 Å²	185.4	143.5 Å²	143.5	87%	0.866	78%	0.778	S	S	*	*			trans	-69.3	150.7	171.5	-59.9	171.8	109.8	0	0	114.2
2098	S	29.1	Very low	27.3	Very low	99.2 Å²	99.2	143.8 Å²	143.8	69%	0.694	78%	0.775	S	S	*	*				163.4	149.7	108.3	58.7	0	0	0	0	114.9
2099	N	29.2	Very low	27.2	Very low	133.6 Å²	133.6	144.6 Å²	144.6	71%	0.714	78%	0.775	S	S	*	*			trans	73.7	108	151.8	-68.7	-53.1	0	0	0	117.3
2100	K	27.8	Very low	27.2	Very low	185.8 Å²	185.8	143.9 Å²	143.9	81%	0.808	77%	0.772	S	S	*	*				81.1	142.4	97.8	-67	169	-175.9	170.4	0	115.8
2101	Q	28.8	Very low	26.9	Very low	185.8 Å²	185.8	146.3 Å²	146.3	87%	0.868	77%	0.773	S	S	*	*			trans	68.6	126.3	163.1	-56.7	179.7	4.2	0	0	114.1
2102	V	27.6	Very low	27	Very low	137.2 Å²	137.2	142.6 Å²	142.6	83%	0.832	77%	0.774	S	S	*	*			cis	-120.2	142.6	29.6	167.4	0	0	0	0	111
2103	C	25.3	Very low	27	Very low	113.4 Å²	113.4	142.9 Å²	142.9	77%	0.766	78%	0.776	S	S	*	*			trans	-105.6	146.1	173.2	-72.8	0	0	0	0	112.6
2104	S	25.3	Very low	27	Very low	105.8 Å²	105.8	140.4 Å²	140.4	74%	0.74	78%	0.775	S	S	*	*			trans	60.8	130.2	148.7	72.7	0	0	0	0	114.2
2105	L	25.7	Very low	27	Very low	150 Å²	150	142.8 Å²	142.8	79%	0.785	78%	0.776	S	S	*	*				-160.8	145.5	86.2	-100.7	170.3	0	0	0	111.5
2106	F	25.3	Very low	27	Very low	182.4 Å²	182.4	144.2 Å²	144.2	80%	0.8	78%	0.777	S	S	*	*			trans	-44.2	120.2	149.4	-84.3	-76.3	0	0	0	115.1
2107	N	25.2	Very low	26.7	Very low	135.2 Å²	135.2	143.1 Å²	143.1	72%	0.723	77%	0.77	S	S	*	*			trans	146.8	136.9	144.8	-76	-25.3	0	0	0	112.9
2108	T	25.8	Very low	26.6	Very low	111.4 Å²	111.4	141.1 Å²	141.1	68%	0.683	77%	0.765	S	S	*	*				107	120.4	113.3	-3.6	0	0	0	0	113.9	D2110	T2108-D2110 HydrophobicContact CG2-CB 4.03Å
2109	Y	26.6	Very low	26.6	Very low	213.8 Å²	213.8	143.7 Å²	143.7	84%	0.838	77%	0.771	S	S	*	*			trans	-171.2	131.8	139.3	-103.6	-77.6	0	0	0	113.9	Q2111	Y2109-Q2111 HydrophobicContact CD1-CG 3.67Å; Y2109-Q2111 HydrophobicContact CE1-CG 3.94Å
2110	D	26.1	Very low	26.5	Very low	143.4 Å²	143.4	141.7 Å²	141.7	77%	0.767	77%	0.773	S	S	*	*			trans	-67.7	144.9	161.1	-68.2	-55.9	0	0	0	115.3	T2108 P2112	T2108-D2110 HydrophobicContact CG2-CB 4.03Å; D2110-P2112 VanDerWaalsContact C-CD 3.41Å; D2110-P2112 HydrophobicContact CB-CG 4.43Å; D2110-P2112 WeakPolarHBondContact O-CD 3.31Å
2111	Q	26.1	Very low	26.5	Very low	161.6 Å²	161.6	139.1 Å²	139.1	76%	0.755	77%	0.772	S	S	*	*			trans	-128.7	139.6	140.4	-89.3	-173.3	-8.4	0	0	111.8	Y2109 V2113	Y2109-Q2111 HydrophobicContact CD1-CG 3.67Å; Y2109-Q2111 HydrophobicContact CE1-CG 3.94Å; Q2111-V2113 HydrophobicContact CB-CG2 4.09Å; Q2111-V2113 HydrophobicContact CG-CG2 4.16Å; Q2111-V2113 PolarHBondContact O-N 2.9Å; Q2111-V2113 VanDerWaalsContact OE1-CG2 3.26Å
2112	P	29	Very low	26.5	Very low	122 Å²	122	135.6 Å²	135.6	79%	0.792	76%	0.764	S	S	*	*			trans	-94.1	117.3	168.3	35.2	-29.7	0	0	0	111.5	D2110 S2114	D2110-P2112 VanDerWaalsContact C-CD 3.41Å; D2110-P2112 HydrophobicContact CB-CG 4.43Å; D2110-P2112 WeakPolarHBondContact O-CD 3.31Å; P2112-S2114 PolarHBondContact O-N 2.94Å
2113	V	27.4	Very low	26.5	Very low	120.6 Å²	120.6	136.6 Å²	136.6	73%	0.731	76%	0.764	S	S	*	*			trans	-101.3	116.7	169.7	179.7	0	0	0	0	111.6	Q2111 M2115	Q2111-V2113 HydrophobicContact CB-CG2 4.09Å; Q2111-V2113 HydrophobicContact CG-CG2 4.16Å; Q2111-V2113 PolarHBondContact O-N 2.9Å; Q2111-V2113 VanDerWaalsContact OE1-CG2 3.26Å; V2113-M2115 HydrophobicContact CG1-CB 4Å; V2113-M2115 HydrophobicContact CG1-CG 4.31Å
2114	S	25.5	Very low	26.6	Very low	103.6 Å²	103.6	134.5 Å²	134.5	72%	0.724	76%	0.762	S	S	*	*			trans	-93	125	167.7	54.8	0	0	0	0	114.2	P2112 I2116	P2112-S2114 PolarHBondContact O-N 2.94Å; S2114-I2116 PolarHBondContact O-N 3.09Å
2115	M	25.3	Very low	26.7	Very low	161 Å²	161	137.2 Å²	137.2	79%	0.793	77%	0.767	S	S	*	*			trans	-93	124.5	158.8	-82.3	-173.9	175.1	0	0	110.6	V2113 S2117	V2113-M2115 HydrophobicContact CG1-CB 4Å; V2113-M2115 HydrophobicContact CG1-CG 4.31Å; M2115-S2117 PolarHBondContact O-N 2.99Å
2116	I	25.9	Very low	26.8	Very low	159.6 Å²	159.6	137 Å²	137	82%	0.818	77%	0.766	S	S	*	*				-138.8	135.5	114.6	-72.4	171.8	0	0	0	109.6	S2114	S2114-I2116 PolarHBondContact O-N 3.09Å
2117	S	25.6	Very low	26.8	Very low	94.6 Å²	94.6	135.8 Å²	135.8	66%	0.662	77%	0.767	S	S	*	*			trans	-28.7	142.8	176.5	142.4	0	0	0	0	113.4	M2115	M2115-S2117 PolarHBondContact O-N 2.99Å
2118	N	26.9	Very low	26.9	Very low	143.2 Å²	143.2	133.5 Å²	133.5	77%	0.766	76%	0.761	S	S	*	*			cis	-161.4	153.2	46.7	-103.2	-28.5	0	0	0	112.2
2119	N	28	Very low	27	Very low	154.6 Å²	154.6	137.1 Å²	137.1	83%	0.827	77%	0.77	S	S	*	*			trans	-19.6	146.2	170.6	-67.4	-28	0	0	0	114.2
2120	A	26.9	Very low	27	Very low	90.2 Å²	90.2	131.1 Å²	131.1	75%	0.745	77%	0.765	S	S	*	*				-127	158.1	129.7	0	0	0	0	0	112.9	T2122	A2120-T2122 PolarHBondContact O-N 2.94Å
2121	V	28.4	Very low	27.1	Very low	132 Å²	132	129.8 Å²	129.8	80%	0.8	77%	0.767	S	S	*	*			trans	-168.7	113.2	160	173.6	0	0	0	0	110.7	N2123	V2121-N2123 PolarHBondContact O-N 2.9Å
2122	T	27.6	Very low	27.2	Very low	112.8 Å²	112.8	127.1 Å²	127.1	69%	0.692	77%	0.773	S	S	*	*				148.6	133.1	123.1	48.2	0	0	0	0	114.5	A2120	A2120-T2122 PolarHBondContact O-N 2.94Å
2123	N	29.2	Very low	27.2	Very low	156.4 Å²	156.4	124.6 Å²	124.6	84%	0.836	77%	0.769	S	S	*	*			trans	60.3	131.8	151.7	-58.5	-21.2	0	0	0	115.6	V2121	V2121-N2123 PolarHBondContact O-N 2.9Å
2124	G	26.6	Very low	27.3	Very low	70.6 Å²	70.6	125.5 Å²	125.5	73%	0.728	77%	0.774	S	S	*	*				117	134.3	103.5	0	0	0	0	0	115.1
2125	L	26.9	Very low	27.4	Very low	161.2 Å²	161.2	125.4 Å²	125.4	84%	0.844	77%	0.773	S	S	*	*			trans	98	126.9	136.5	-79.2	152.4	0	0	0	114.6
2126	I	27.7	Very low	27.6	Very low	147.4 Å²	147.4	122.6 Å²	122.6	76%	0.756	77%	0.77	S	S	*	*				88.3	131.7	107	-78	171.7	0	0	0	116.9
2127	L	26.1	Very low	27.8	Very low	156.4 Å²	156.4	123.3 Å²	123.3	82%	0.819	77%	0.77	S	S	*	*			trans	73.5	140.1	155.9	-130	59.5	0	0	0	118.8
2128	S	26.6	Very low	28	Very low	87.2 Å²	87.2	126.7 Å²	126.7	61%	0.61	77%	0.772	S	S	*	*			trans	100	137.6	159	48.3	0	0	0	0	117.2
2129	Q	27.6	Very low	28.1	Very low	187 Å²	187	126.8 Å²	126.8	87%	0.874	77%	0.768	S	S	*	*			trans	62.5	139.2	135.8	-62.8	173.6	19.4	0	0	116
2130	A	27.8	Very low	28.2	Very low	87.4 Å²	87.4	125.3 Å²	125.3	72%	0.722	76%	0.761	S	S	*	*			cis	168.8	155.5	20.8	0	0	0	0	0	113.6
2131	S	27.6	Very low	28.3	Very low	115.6 Å²	115.6	129.4 Å²	129.4	81%	0.808	76%	0.764	S	S	*	*				76.6	137	128.4	58.5	0	0	0	0	118.2
2132	A	29	Very low	28.3	Very low	106.4 Å²	106.4	127.4 Å²	127.4	88%	0.879	76%	0.761	S	S	*	*			trans	53.6	146.7	138.8	0	0	0	0	0	116.8
2133	G	28.7	Very low	28.4	Very low	69.8 Å²	69.8	128.1 Å²	128.1	72%	0.72	77%	0.77	S	S	*	*			trans	142.9	135.2	131.3	0	0	0	0	0	116.6
2134	V	29.6	Very low	28.2	Very low	138.6 Å²	138.6	127.9 Å²	127.9	84%	0.84	77%	0.768	S	S	*	*			trans	66	121.7	151.4	174.2	0	0	0	0	115.5
2135	S	28.3	Very low	28.7	Very low	100.4 Å²	100.4	129.7 Å²	129.7	70%	0.702	77%	0.767	S	S	*	*				99.7	155	113.9	71.7	0	0	0	0	116.8
2136	S	28.6	Very low	28.9	Very low	102.8 Å²	102.8	129.3 Å²	129.3	72%	0.719	76%	0.764	S	S	*	*			trans	163.4	146.8	133.8	34	0	0	0	0	114.8
2137	Q	30.2	Very low	28.8	Very low	174 Å²	174	130.3 Å²	130.3	81%	0.813	76%	0.763	S	S	*	*			trans	102.6	137.8	136	-99.2	-176.8	5.9	0	0	114.5
2138	K	28.8	Very low	29	Very low	165.8 Å²	165.8	131.4 Å²	131.4	72%	0.721	76%	0.762	S	S	*	*				158.6	131.3	69.1	-122.5	-177.4	174.4	-151.1	0	115
2139	Q	30.3	Very low	29.2	Very low	146 Å²	146	133 Å²	133	68%	0.682	76%	0.764	S	S	*	*			trans	53.9	127.6	142.7	-76	-177.9	-45.1	0	0	120.5
2140	N	29.1	Very low	29.5	Very low	123.6 Å²	123.6	132.6 Å²	132.6	66%	0.661	76%	0.762	S	S	*	*				131.7	128.8	112.8	-83.9	3.2	0	0	0	117.5
2141	H	30.2	Very low	29.6	Very low	175.6 Å²	175.6	135.3 Å²	135.3	81%	0.813	76%	0.763	S	S	*	*			trans	72.7	122.3	131.7	-71.2	-64.6	0	0	0	120.8
2142	A	28.3	Very low	30.1	Very low	90.6 Å²	90.6	135.4 Å²	135.4	75%	0.749	76%	0.761	S	S	*	*			trans	89.7	123.1	143.2	0	0	0	0	0	118.9
2143	C	28.1	Very low	30.3	Very low	127.8 Å²	127.8	135.4 Å²	135.4	86%	0.864	75%	0.75	S	S	*	*			trans	112.3	141.5	140.6	-75	0	0	0	0	117
2144	D	26.4	Very low	30.4	Very low	151.4 Å²	151.4	138.4 Å²	138.4	81%	0.81	75%	0.75	S	S	*	*			trans	-70.3	168.9	163.5	-85.2	-34.3	0	0	0	113.8
2145	P	36.5	Very low	30.6	Very low	109.2 Å²	109.2	139 Å²	139	71%	0.709	74%	0.743	S	S	*	*			cis	-126.6	171.1	-44.5	32.2	-15.4	0	0	0	114.1
2146	I	30.4	Very low	30.8	Very low	151.8 Å²	151.8	141.9 Å²	141.9	78%	0.778	75%	0.745	S	S	*	*			trans	134.2	123.5	145.8	-65.4	171.1	0	0	0	116.4
2147	K	26.6	Very low	30.8	Very low	169 Å²	169	141 Å²	141	74%	0.735	74%	0.739	S	S	*	*			trans	-13.2	154.9	152.1	-66.1	173.5	-179.9	177.8	0	117.8	S2157	K2147-S2157 PolarHBondContact NZ-OG 2.8Å
2148	F	30	Very low	30.8	Very low	180 Å²	180	140.2 Å²	140.2	79%	0.789	74%	0.735	S	S	*	*				-172.2	139.5	126	-106.8	-84.7	0	0	0	113.4
2149	N	30.7	Very low	30.9	Very low	121.2 Å²	121.2	139.1 Å²	139.1	65%	0.648	73%	0.732	S	S	*	*			trans	77.9	162.4	170.9	-71.6	0.2	0	0	0	114.8	L2151	N2149-L2151 PolarHBondContact O-N 2.99Å
2150	Q	33.3	Very low	30.8	Very low	178.6 Å²	178.6	138.3 Å²	138.3	84%	0.835	73%	0.733	S	S	*	*				179.7	127.7	71.6	-105.5	166.5	3.6	0	0	112.3
2151	L	31.2	Very low	30.8	Very low	143.6 Å²	143.6	139.2 Å²	139.2	75%	0.752	74%	0.736	S	S	*	*				-110.4	161.4	100.5	-114.5	75.3	0	0	0	110.9	N2149 T2153	N2149-L2151 PolarHBondContact O-N 2.99Å; L2151-T2153 WeakPolarHBondContact CB-OG1 3.36Å; L2151-T2153 HydrophobicContact CD2-CG2 3.89Å; L2151-T2153 HydrophobicContact CG-CG2 4.08Å; L2151-T2153 PolarHBondContact O-N 2.89Å
2152	P	38.3	Very low	30.7	Very low	116.6 Å²	116.6	135.3 Å²	135.3	76%	0.757	73%	0.728	S	S	*	*			cis	-106.1	156.6	40.2	28.4	-17.4	0	0	0	115.7
2153	T	33.2	Very low	30.8	Very low	107.6 Å²	107.6	142 Å²	142	66%	0.66	73%	0.734	S	S	*	*			trans	-158.8	144.4	169.8	32.2	0	0	0	0	113.8	L2151	L2151-T2153 WeakPolarHBondContact CB-OG1 3.36Å; L2151-T2153 HydrophobicContact CD2-CG2 3.89Å; L2151-T2153 HydrophobicContact CG-CG2 4.08Å; L2151-T2153 PolarHBondContact O-N 2.89Å
2154	D	30.1	Very low	30.8	Very low	132.2 Å²	132.2	143.3 Å²	143.3	71%	0.707	73%	0.732	S	S	*	*			trans	147.2	145.5	133.6	-71.6	-27.2	0	0	0	118.3
2155	H	33.7	Very low	31.3	Very low	150.8 Å²	150.8	141.2 Å²	141.2	70%	0.698	73%	0.726	S	S	*	*				97.6	125.9	124	-80.4	-35.4	0	0	0	120.1
2156	H	32.1	Very low	31	Very low	161.4 Å²	161.4	141.8 Å²	141.8	75%	0.747	73%	0.728	S	S	*	*			trans	44.6	130.3	132.7	-63.7	-56.5	0	0	0	123.4
2157	S	28.8	Very low	31	Very low	84.8 Å²	84.8	141 Å²	141	59%	0.593	73%	0.725	S	S	*	*				153.5	163.2	79	62.7	0	0	0	0	116.5	K2147	K2147-S2157 PolarHBondContact NZ-OG 2.8Å
2158	H	31	Very low	31.3	Very low	156.2 Å²	156.2	139 Å²	139	72%	0.723	72%	0.723	S	S	*	*			trans	78.1	137	158.5	-70.8	-70.3	0	0	0	121.5
2159	H	30.8	Very low	31.4	Very low	143.2 Å²	143.2	137.1 Å²	137.1	66%	0.663	72%	0.721	S	S	*	*			trans	54	134.1	142.1	-75	-62	0	0	0	118
2160	N	28.7	Very low	31.6	Very low	129.4 Å²	129.4	136 Å²	136	69%	0.692	72%	0.723	S	S	*	*				140	132.2	96.4	-83.5	-14.9	0	0	0	114.8
2161	I	27.6	Very low	31.6	Very low	141.4 Å²	141.4	134 Å²	134	73%	0.725	72%	0.718	S	S	*	*				69.2	109.5	99.9	-60.1	172.9	0	0	0	117
2162	S	28.5	Very low	31.7	Very low	95 Å²	95	133.1 Å²	133.1	66%	0.664	71%	0.714	S	S	*	*				123.5	153	128.1	65.4	0	0	0	0	117.7
2163	R	30.3	Very low	31.4	Very low	231.6 Å²	231.6	134 Å²	134	87%	0.874	71%	0.712	S	S	*	*				155.6	142.2	97.8	-98.9	164.1	-170.7	-159.6	-0.3	113.7
2164	L	27.9	Very low	31.3	Very low	154.8 Å²	154.8	135.6 Å²	135.6	81%	0.81	72%	0.717	S	S	*	*			trans	-20.8	163.4	135.6	-109.7	76.4	0	0	0	113.5	T2166	L2164-T2166 HydrophobicContact CD2-CG2 3.44Å; L2164-T2166 VanDerWaalsContact CD2-CG2 3.44Å; L2164-T2166 HydrophobicContact CG-CG2 4.02Å
2165	P	36.9	Very low	31.4	Very low	106.8 Å²	106.8	136.1 Å²	136.1	69%	0.694	72%	0.718	S	S	*	*			cis	-126.9	-176.3	27.5	40.7	-25.3	0	0	0	114
2166	T	31.5	Very low	31.1	Very low	122.4 Å²	122.4	135.8 Å²	135.8	75%	0.751	72%	0.721	S	S	*	*				107.1	137.6	117.9	51.1	0	0	0	0	114.5	L2164	L2164-T2166 HydrophobicContact CD2-CG2 3.44Å; L2164-T2166 VanDerWaalsContact CD2-CG2 3.44Å; L2164-T2166 HydrophobicContact CG-CG2 4.02Å
2167	N	29.7	Very low	30.9	Very low	133.6 Å²	133.6	139 Å²	139	71%	0.714	73%	0.726	S	S	*	*			cis	-179.1	147.1	45	-133.1	13.6	0	0	0	111.3
2168	N	32.5	Very low	30.8	Very low	127.4 Å²	127.4	140.7 Å²	140.7	68%	0.681	73%	0.733	S	S	*	*			trans	109.4	140.4	132.1	-77.1	-5.1	0	0	0	115.5
2169	N	32.4	Very low	30.7	Very low	140 Å²	140	139 Å²	139	75%	0.749	73%	0.734	S	S	*	*				83.4	151.9	79.4	-80.8	-14.2	0	0	0	116.4
2170	S	34.5	Very low	30.6	Very low	98.8 Å²	98.8	139.4 Å²	139.4	69%	0.691	74%	0.739	S	S	*	*				103.1	135.9	116	61.1	0	0	0	0	118.2
2171	N	33.6	Very low	30.5	Very low	137.2 Å²	137.2	137.8 Å²	137.8	73%	0.734	74%	0.739	S	S	*	*			trans	69.6	142.3	130.4	-75	40.3	0	0	0	118.4
2172	D	33.9	Very low	30.5	Very low	123.6 Å²	123.6	138.1 Å²	138.1	66%	0.661	74%	0.74	S	S	*	*				97.5	127.9	112.4	-73.4	-32.3	0	0	0	117.8
2173	N	32.1	Very low	30.6	Very low	136.6 Å²	136.6	139.4 Å²	139.4	73%	0.73	74%	0.744	S	S	*	*				70.9	148.5	128	-69.1	-53.8	0	0	0	119
2174	N	31.4	Very low	30.8	Very low	140 Å²	140	133.7 Å²	133.7	75%	0.749	74%	0.737	S	S	*	*			trans	99.3	149.8	147.7	-82.4	-29.5	0	0	0	117
2175	I	30.8	Very low	30.8	Very low	143.6 Å²	143.6	132.8 Å²	132.8	74%	0.736	73%	0.733	S	S	*	*			trans	105.3	129.2	147	-82.1	164.6	0	0	0	114.4
2176	L	28	Very low	30.4	Very low	144.2 Å²	144.2	135.3 Å²	135.3	76%	0.755	74%	0.735	S	S	*	*			trans	72.9	123.4	134.1	-102.7	166.9	0	0	0	114.9	T2178	L2176-T2178 PolarHBondContact O-N 2.85Å
2177	R	27.4	Very low	30.3	Very low	228 Å²	228	137 Å²	137	86%	0.86	74%	0.738	S	S	*	*			trans	150.6	123.5	133.8	-89.9	174.9	179.1	167.1	0.7	110.3
2178	T	27.9	Very low	30.2	Very low	120.2 Å²	120.2	134.5 Å²	134.5	74%	0.737	74%	0.736	S	S	*	*				159.1	123.8	63.6	-63.6	0	0	0	0	111.5	L2176	L2176-T2178 PolarHBondContact O-N 2.85Å
2179	T	28.5	Very low	30.1	Very low	121.4 Å²	121.4	135.8 Å²	135.8	75%	0.745	74%	0.742	S	S	*	*			trans	164.8	129.5	165.5	33.8	0	0	0	0	114.1
2180	I	29.2	Very low	29.9	Very low	150.4 Å²	150.4	136 Å²	136	77%	0.771	74%	0.743	S	S	*	*				89.5	98.6	109.7	-68.1	167.4	0	0	0	114.9	I2182	I2180-I2182 HydrophobicContact CG2-CD1 4.36Å
2181	S	25.4	Very low	29.8	Very low	97.8 Å²	97.8	136.8 Å²	136.8	68%	0.684	75%	0.749	S	S	*	*			trans	94.8	129.7	140.6	149.2	0	0	0	0	117.1
2182	I	29.1	Very low	29.6	Very low	147.2 Å²	147.2	133.4 Å²	133.4	76%	0.755	75%	0.746	S	S	*	*			trans	85.1	110.6	135.1	-63.9	160	0	0	0	114.5	I2180	I2180-I2182 HydrophobicContact CG2-CD1 4.36Å
2183	V	28.9	Very low	29.5	Very low	122.8 Å²	122.8	134.9 Å²	134.9	74%	0.744	75%	0.754	S	S	*	*			trans	43.3	132.4	140.8	171.6	0	0	0	0	115.1
2184	P	34.6	Very low	29.4	Very low	111.8 Å²	111.8	134.4 Å²	134.4	73%	0.726	76%	0.756	S	S	*	*			trans	-114.5	152.7	148.3	38.4	-30.7	0	0	0	112.8	Q2186	P2184-Q2186 HydrophobicContact CG-CG 4.29Å; P2184-Q2186 PolarHBondContact O-NE2 2.93Å; P2184-Q2186 VanDerWaalsContact O-NE2 3.09Å
2185	D	28.5	Very low	29.3	Very low	134.8 Å²	134.8	133.2 Å²	133.2	72%	0.721	75%	0.754	S	S	*	*				-69.8	137.8	121.9	-100.6	-35.5	0	0	0	114.2
2186	Q	28.2	Very low	29.4	Very low	160.4 Å²	160.4	131.9 Å²	131.9	75%	0.75	75%	0.754	S	S	*	*			trans	66.2	154.4	145.8	-64.8	-179.1	61.8	0	0	117.4	P2184	P2184-Q2186 HydrophobicContact CG-CG 4.29Å; P2184-Q2186 PolarHBondContact O-NE2 2.93Å; P2184-Q2186 VanDerWaalsContact O-NE2 3.09Å
2187	I	29	Very low	29.5	Very low	157.4 Å²	157.4	134.2 Å²	134.2	81%	0.807	76%	0.759	S	S	*	*			trans	119.1	137.3	139.7	-80.4	165.8	0	0	0	113.1
2188	A	29.1	Very low	29.4	Very low	81 Å²	81	129.5 Å²	129.5	67%	0.669	75%	0.751	S	S	*	*			trans	116.9	147.2	142.8	0	0	0	0	0	115.9
2189	L	29.8	Very low	29.7	Very low	155.6 Å²	155.6	129.3 Å²	129.3	82%	0.815	75%	0.751	S	S	*	*			trans	117.1	144.9	143.1	-75.6	179.8	0	0	0	116.3
2190	N	28.9	Very low	29.8	Very low	143.4 Å²	143.4	130.6 Å²	130.6	77%	0.767	75%	0.752	S	S	*	*			trans	86	144.7	167.4	-72.9	-9.9	0	0	0	114.9
2191	S	30.7	Very low	29.7	Very low	115 Å²	115	130.1 Å²	130.1	80%	0.804	75%	0.747	S	S	*	*			cis	166.5	143.3	8.1	58.8	0	0	0	0	110.5
2192	G	31.1	Very low	30	Very low	65.8 Å²	65.8	132 Å²	132	68%	0.678	75%	0.749	S	S	*	*				151.5	141.9	124.6	0	0	0	0	0	113.8
2193	N	30.1	Very low	30.2	Very low	155.6 Å²	155.6	132.1 Å²	132.1	83%	0.832	75%	0.751	S	S	*	*			trans	60.5	133.3	164.4	-58.9	-15	0	0	0	117.5
2194	T	30.5	Very low	30.2	Very low	127 Å²	127	132.9 Å²	132.9	78%	0.779	75%	0.75	S	S	*	*			cis	-155.3	143.4	34.8	25.9	0	0	0	0	113.5
2195	V	30.6	Very low	30.2	Very low	113.4 Å²	113.4	133.3 Å²	133.3	69%	0.687	75%	0.754	S	S	*	*				90.9	113.5	127.3	179.4	0	0	0	0	115.5	F2197	V2195-F2197 HydrophobicContact CG1-CD2 3.49Å; V2195-F2197 HydrophobicContact CG1-CE2 3.87Å; V2195-F2197 HydrophobicContact CG1-CG 4.32Å; V2195-F2197 HydrophobicContact CG2-CE2 4.35Å
2196	P	31	Very low	30.3	Very low	116 Å²	116	135.8 Å²	135.8	75%	0.753	76%	0.758	S	S	*	*			trans	-104.8	168.7	143.7	38.2	-32	0	0	0	112.6
2197	F	30.1	Very low	30.3	Very low	192.2 Å²	192.2	134.7 Å²	134.7	84%	0.843	76%	0.762	S	S	*	*			trans	-139.1	151.8	171.5	-104.8	-75.4	0	0	0	111.4	V2195	V2195-F2197 HydrophobicContact CG1-CD2 3.49Å; V2195-F2197 HydrophobicContact CG1-CE2 3.87Å; V2195-F2197 HydrophobicContact CG1-CG 4.32Å; V2195-F2197 HydrophobicContact CG2-CE2 4.35Å
2198	N	27.1	Very low	30.3	Very low	129.6 Å²	129.6	134.4 Å²	134.4	69%	0.693	76%	0.761	S	S	*	*			trans	-133	155.6	-168.3	-114.4	11.7	0	0	0	111.6	I2200	N2198-I2200 HydrophobicContact CB-CG1 4.41Å
2199	P	32.8	Very low	30.3	Very low	116.4 Å²	116.4	137.5 Å²	137.5	76%	0.756	77%	0.765	S	S	*	*			trans	-108.8	179.3	139.3	33.9	-23.7	0	0	0	112.1
2200	I	30.3	Very low	30.4	Very low	149.2 Å²	149.2	135.6 Å²	135.6	77%	0.765	76%	0.762	S	S	*	*			trans	-135.9	154	-170.7	-68.9	169.4	0	0	0	111.5	N2198	N2198-I2200 HydrophobicContact CB-CG1 4.41Å
2201	Q	28.1	Very low	30.4	Very low	140.4 Å²	140.4	134.7 Å²	134.7	66%	0.656	76%	0.762	S	S	*	*			trans	-103.8	155.5	-172.6	-106.5	179.8	-80.2	0	0	110.3	V3180 H3182	Q2201-V3180 HydrophobicContact CB-CB 4.03Å; Q2201-V3180 HydrophobicContact CB-CG1 3.53Å; Q2201-V3180 WeakPolarHBondContact CB-O 3.46Å; Q2201-V3180 PolarHBondContact N-O 2.86Å; Q2201-V3180 WeakPolarHBondContact O-CB 3.39Å; Q2201-V3180 WeakPolarHBondContact O-CG1 3.28Å; Q2201-V3180 WeakPolarHBondContact O-CG2 3.07Å; Q2201-H3182 VanDerWaalsContact CD-CG 3.44Å; Q2201-H3182 HydrophobicContact CG-CB 3.88Å; Q2201-H3182 VanDerWaalsContact CG-CG 3.48Å; Q2201-H3182 VanDerWaalsContact CG-ND1 3.27Å; Q2201-H3182 WeakPolarHBondContact CG-ND1 3.32Å; Q2201-H3182 PolarHBondContact NE2-CE1 3.38Å; Q2201-H3182 PolarHBondContact NE2-ND1 3.2Å; Q2201-H3182 PolarHBondContact NE2-NE2 3.16Å; Q2201-H3182 PolarHBondContact OE1-CE1 3.49Å; Q2201-H3182 PolarHBondContact OE1-ND1 3.37Å
2202	D	31.8	Very low	30.4	Very low	136 Å²	136	135.6 Å²	135.6	73%	0.727	76%	0.763	S	S	*	*				144	138	95.4	-69.6	-27.2	0	0	0	114.6
2203	D	32.3	Very low	30.3	Very low	150 Å²	150	136.2 Å²	136.2	80%	0.802	76%	0.761	S	S	*	*			trans	179.6	143.1	146.1	-115.8	-6.9	0	0	0	115.6
2204	L	29.8	Very low	30.3	Very low	139 Å²	139	134.4 Å²	134.4	73%	0.728	76%	0.756	S	S	*	*			trans	-120.5	157.3	168.9	-127.8	85.2	0	0	0	114.7	K2206	L2204-K2206 HydrophobicContact CD2-CB 3.68Å; L2204-K2206 HydrophobicContact CD2-CD 4.01Å; L2204-K2206 HydrophobicContact CD2-CG 3.84Å; L2204-K2206 HydrophobicContact CG-CB 3.96Å
2205	P	35.4	Very low	30.2	Very low	122 Å²	122	135.6 Å²	135.6	79%	0.792	76%	0.756	S	S	*	*			trans	-124	161.7	130	35	-22.4	0	0	0	115.1
2206	K	28.8	Very low	30.1	Very low	187.2 Å²	187.2	133.5 Å²	133.5	81%	0.814	76%	0.757	S	S	*	*			trans	-137.9	133.1	164.1	-87.1	173.7	-169.4	173.1	0	114.3	L2204	L2204-K2206 HydrophobicContact CD2-CB 3.68Å; L2204-K2206 HydrophobicContact CD2-CD 4.01Å; L2204-K2206 HydrophobicContact CD2-CG 3.84Å; L2204-K2206 HydrophobicContact CG-CB 3.96Å
2207	V	29.3	Very low	30	Very low	135.8 Å²	135.8	134.5 Å²	134.5	82%	0.823	76%	0.761	S	S	*	*			trans	-151.1	127	151.8	174.2	0	0	0	0	111.6
2208	L	29.3	Very low	29.8	Very low	152.8 Å²	152.8	133.2 Å²	133.2	80%	0.8	76%	0.758	S	S	*	*			trans	41.1	144.2	133.6	-128.7	65	0	0	0	116.5
2209	I	29.3	Very low	29.8	Very low	144.8 Å²	144.8	134.6 Å²	134.6	74%	0.743	76%	0.76	S	S	*	*			trans	-143.4	143.9	156.2	-71.9	170.2	0	0	0	109.5	T2211	I2209-T2211 HydrophobicContact CG2-CG2 3.86Å; I2209-T2211 VanDerWaalsContact CG2-CG2 3.46Å
2210	P	31.9	Very low	29.5	Very low	116.8 Å²	116.8	140.1 Å²	140.1	76%	0.758	77%	0.765	S	S	*	*				-122	158.7	130	34.8	-22.4	0	0	0	115
2211	T	28.7	Very low	29.3	Very low	124.2 Å²	124.2	140.6 Å²	140.6	76%	0.762	77%	0.769	S	S	*	*			trans	-131.4	160.5	157.9	24	0	0	0	0	114.9	I2209	I2209-T2211 HydrophobicContact CG2-CG2 3.86Å; I2209-T2211 VanDerWaalsContact CG2-CG2 3.46Å
2212	T	29.8	Very low	29.2	Very low	134.4 Å²	134.4	137.9 Å²	137.9	83%	0.825	77%	0.771	S	S	*	*			trans	-45.8	158.2	169.6	3	0	0	0	0	116
2213	A	29.8	Very low	29	Very low	77.8 Å²	77.8	138.6 Å²	138.6	64%	0.643	77%	0.774	S	S	*	*			trans	-153.9	155.2	173.7	0	0	0	0	0	113.6	Y2582	A2213-Y2582 HydrophobicContact CB-CD1 4.28Å; A2213-Y2582 HydrophobicContact CB-CD2 4.38Å; A2213-Y2582 HydrophobicContact CB-CG 3.96Å
2214	T	29.7	Very low	28.8	Very low	117.8 Å²	117.8	137.5 Å²	137.5	72%	0.723	77%	0.773	S	S	*	*			trans	108.6	134.4	141.8	-5.2	0	0	0	0	117.4	Y2582 T2583	T2214-Y2582 PolarHBondContact O-N 3.4Å; T2214-T2583 CarbonylContact C-O 3.57Å; T2214-T2583 VanDerWaalsContact CA-O 3.29Å; T2214-T2583 WeakPolarHBondContact CA-O 3.44Å; T2214-T2583 WeakPolarHBondContact CG2-O 3.34Å
2215	I	28.2	Very low	28.8	Very low	152 Å²	152	137.9 Å²	137.9	78%	0.779	77%	0.774	S	S	*	*				32.9	134.9	128	-63.9	166.3	0	0	0	115.9	Y2582 T2583	I2215-Y2582 WeakPolarHBondContact CA-O 3.04Å; I2215-Y2582 WeakPolarHBondContact CB-O 3.31Å; I2215-Y2582 WeakPolarHBondContact CD1-O 3.38Å; I2215-Y2582 WeakPolarHBondContact CG1-O 3.32Å; I2215-T2583 VanDerWaalsContact CB-C 3.49Å; I2215-T2583 VanDerWaalsContact CG2-C 3.5Å; I2215-T2583 PolarHBondContact N-O 3.36Å
2216	G	28.9	Very low	28.5	Very low	69.4 Å²	69.4	140.2 Å²	140.2	72%	0.715	78%	0.775	S	S	*	*			trans	-168.6	120.8	161.3	0	0	0	0	0	114.7
2217	V	28.4	Very low	28.5	Very low	137.2 Å²	137.2	139.8 Å²	139.8	83%	0.832	78%	0.775	S	S	*	*			trans	-65.7	137	168.2	-165.4	0	0	0	0	114.2
2218	Q	27	Very low	28.5	Very low	165.4 Å²	165.4	138.7 Å²	138.7	77%	0.773	77%	0.769	S	S	*	*			trans	-174.4	136.6	151.3	-136	169.8	-22.9	0	0	115.9
2219	Q	26.6	Very low	28.6	Very low	157.8 Å²	157.8	137.9 Å²	137.9	74%	0.737	77%	0.766	S	S	*	*			trans	82.4	121.2	140.9	-168.1	171.7	18.5	0	0	115.7
2220	R	25.4	Very low	28.7	Very low	231.2 Å²	231.2	139.1 Å²	139.1	87%	0.872	77%	0.768	S	S	*	*			trans	-152.2	125.5	151.9	-82.6	170.3	177.7	172.5	-0.6	110.9
2221	L	25.9	Very low	28.5	Very low	159.6 Å²	159.6	144.2 Å²	144.2	84%	0.836	77%	0.772	S	S	*	*				109	129.5	69.9	-129	79.2	0	0	0	111.8	N2223	L2221-N2223 WeakPolarHBondContact CD2-OD1 3.49Å
2222	A	27.9	Very low	28.6	Very low	84.8 Å²	84.8	148.7 Å²	148.7	70%	0.701	78%	0.775	S	S	*	*			trans	-122.9	138.4	148.2	0	0	0	0	0	111.5
2223	N	26	Very low	28.5	Very low	150.6 Å²	150.6	151.4 Å²	151.4	81%	0.805	78%	0.775	S	S	*	*			trans	145.4	147.4	146.1	-77	-17.4	0	0	0	112.3	L2221	L2221-N2223 WeakPolarHBondContact CD2-OD1 3.49Å
2224	V	28.9	Very low	28.6	Very low	127 Å²	127	152.3 Å²	152.3	77%	0.77	78%	0.777	S	S	*	*			trans	164.8	120.8	150.8	160.2	0	0	0	0	112	E2226	V2224-E2226 HydrophobicContact CG1-CG 4.08Å
2225	I	29.6	Very low	28.5	Very low	146.6 Å²	146.6	154.7 Å²	154.7	75%	0.752	78%	0.78	S	S	*	*				71.1	113.9	121.5	-66.2	167.4	0	0	0	113.4	Q2227	I2225-Q2227 HydrophobicContact CG2-CG 4.02Å; I2225-Q2227 PolarHBondContact O-N 2.85Å
2226	E	28.3	Very low	28.5	Very low	171.8 Å²	171.8	154 Å²	154	80%	0.803	78%	0.777	S	S	*	*			trans	-42.1	123.7	152.4	-108	172	-177.7	0	0	113.8	V2224	V2224-E2226 HydrophobicContact CG1-CG 4.08Å
2227	Q	30.1	Very low	28.5	Very low	177 Å²	177	157.7 Å²	157.7	83%	0.827	78%	0.779	S	S	*	*			trans	-154.5	125.3	140.8	-89	-175.5	8.6	0	0	112.1	I2225 N2229	I2225-Q2227 HydrophobicContact CG2-CG 4.02Å; I2225-Q2227 PolarHBondContact O-N 2.85Å; Q2227-N2229 PolarHBondContact O-N 2.85Å
2228	T	28.8	Very low	28.5	Very low	112.8 Å²	112.8	155.9 Å²	155.9	69%	0.692	78%	0.778	S	S	*	*			trans	-75	137.8	156.4	33.5	0	0	0	0	111
2229	N	31.4	Very low	28.7	Very low	137.8 Å²	137.8	151.5 Å²	151.5	74%	0.737	78%	0.778	S	S	*	*			trans	-163.3	146.5	141.2	-96.7	-40.9	0	0	0	114.8	Q2227	Q2227-N2229 PolarHBondContact O-N 2.85Å
2230	H	30.6	Very low	28.9	Very low	168.8 Å²	168.8	148.4 Å²	148.4	78%	0.781	78%	0.779	S	S	*	*			trans	-96.9	135.1	-178.2	-76.5	-51.8	0	0	0	115.2
2231	R	29.4	Very low	29	Very low	224.6 Å²	224.6	144.7 Å²	144.7	85%	0.848	78%	0.776	S	S	*	*			trans	-178.3	122.3	134.1	-119.3	171.6	179.8	174	0.8	112.9
2232	R	29.9	Very low	29.2	Very low	217.8 Å²	217.8	143.5 Å²	143.5	82%	0.822	78%	0.775	S	S	*	*				177	130.5	69	-96.8	177	-177.4	172.2	0.7	113.1
2233	K	28.5	Very low	29.2	Very low	192.4 Å²	192.4	145.2 Å²	145.2	84%	0.837	78%	0.777	S	S	*	*			trans	11.5	148.4	153.9	-66.6	-179.4	176.2	-176.4	0	114.6
2234	S	30.2	Very low	29.3	Very low	95.8 Å²	95.8	143.7 Å²	143.7	67%	0.67	77%	0.773	S	S	*	*				-157.2	141.9	67.5	48.7	0	0	0	0	115.5	S2459	S2234-S2459 WeakPolarHBondContact O-CB 3.33Å; S2234-S2459 PolarHBondContact OG-OG 3.3Å
2235	Q	29.3	Very low	29.3	Very low	167.6 Å²	167.6	144.2 Å²	144.2	78%	0.783	77%	0.771	S	S	*	*			trans	104.7	143.7	145	-71.2	175.9	-19.8	0	0	116.1	I2237	Q2235-I2237 HydrophobicContact CB-CD1 4.34Å; Q2235-I2237 HydrophobicContact CB-CG1 4.47Å
2236	L	28	Very low	29.2	Very low	138.2 Å²	138.2	143 Å²	143	72%	0.724	77%	0.771	S	S	*	*			trans	133.4	149.5	145.6	-92.9	155.7	0	0	0	113.7	S2460 S2461	L2236-S2460 WeakPolarHBondContact CD1-O 3.5Å; L2236-S2460 WeakPolarHBondContact CG-OG 3.25Å; L2236-S2460 PolarHBondContact N-OG 2.96Å; L2236-S2461 WeakPolarHBondContact CD1-O 3.43Å
2237	I	28.2	Very low	29.4	Very low	146.6 Å²	146.6	140.4 Å²	140.4	75%	0.752	77%	0.769	S	S	*	*			cis	-164.6	154.2	-17.5	-88.4	160.6	0	0	0	110.5	Q2235	Q2235-I2237 HydrophobicContact CB-CD1 4.34Å; Q2235-I2237 HydrophobicContact CB-CG1 4.47Å
2238	A	29.5	Very low	29.3	Very low	99.6 Å²	99.6	137.7 Å²	137.7	82%	0.823	77%	0.765	S	S	*	*			trans	23.2	150.5	175.3	0	0	0	0	0	117.4
2239	G	29.8	Very low	29.3	Very low	73.6 Å²	73.6	137.4 Å²	137.4	76%	0.759	77%	0.767	S	S	*	*			cis	157.7	136.5	36.8	0	0	0	0	0	113.3
2240	A	31.4	Very low	29.1	Very low	92 Å²	92	138.6 Å²	138.6	76%	0.76	77%	0.768	S	S	*	*				48	132.3	124	0	0	0	0	0	115.7
2241	N	28.1	Very low	29.1	Very low	153.8 Å²	153.8	139.7 Å²	139.7	82%	0.822	77%	0.771	S	S	*	*				-178.7	141.6	78.3	-89.9	-16.9	0	0	0	114.7
2242	V	29.4	Very low	28.9	Very low	135 Å²	135	133.2 Å²	133.2	82%	0.818	76%	0.76	S	S	*	*			trans	-166.2	107.5	159.4	-177.3	0	0	0	0	112
2243	V	27.4	Very low	28.9	Very low	119.4 Å²	119.4	130.2 Å²	130.2	72%	0.724	76%	0.76	S	S	*	*			trans	55	110.8	132.4	177.7	0	0	0	0	113.6
2244	V	28.5	Very low	28.9	Very low	119.4 Å²	119.4	126.2 Å²	126.2	72%	0.724	76%	0.757	S	S	*	*				120.9	111.2	128	171.2	0	0	0	0	114.5
2245	N	28.7	Very low	28.9	Very low	137.2 Å²	137.2	129.7 Å²	129.7	73%	0.734	77%	0.766	S	S	*	*				79.6	111.7	129.8	-71.5	-9.2	0	0	0	118.7
2246	T	28.4	Very low	28.9	Very low	122.6 Å²	122.6	126.7 Å²	126.7	75%	0.752	76%	0.764	S	S	*	*			trans	-15.5	152.5	132	33.6	0	0	0	0	115.7
2247	P	31.7	Very low	29	Very low	116 Å²	116	124.8 Å²	124.8	75%	0.753	76%	0.762	S	S	*	*			cis	-136.5	170.1	44.4	37.8	-22	0	0	0	114.6
2248	T	26.9	Very low	29.3	Very low	121.4 Å²	121.4	123.5 Å²	123.5	75%	0.745	76%	0.763	S	S	*	*			trans	-129.2	123.7	160.2	2.8	0	0	0	0	112.4	Q2250	T2248-Q2250 HydrophobicContact CG2-CG 4.06Å
2249	S	30.7	Very low	29.6	Very low	105.6 Å²	105.6	124.2 Å²	124.2	74%	0.738	76%	0.759	S	S	*	*			trans	-162	129.5	131.2	66.7	0	0	0	0	109.5
2250	Q	26.8	Very low	29.9	Very low	162.4 Å²	162.4	126.1 Å²	126.1	76%	0.759	76%	0.758	S	S	*	*			trans	18.4	122.6	130.1	-61.1	174.1	-10.2	0	0	111.6	T2248	T2248-Q2250 HydrophobicContact CG2-CG 4.06Å
2251	F	29.5	Very low	30.4	Very low	192.2 Å²	192.2	127.4 Å²	127.4	84%	0.843	76%	0.758	S	S	*	*				-150.8	146.1	92.3	-90.7	-73.9	0	0	0	109.8
2252	S	26.8	Very low	30.8	Very low	88.4 Å²	88.4	125.4 Å²	125.4	62%	0.618	75%	0.754	S	S	*	*			trans	-107	143	-163.5	49.3	0	0	0	0	110.3
2253	N	28.7	Very low	31.1	Very low	155 Å²	155	123.6 Å²	123.6	83%	0.829	75%	0.746	S	S	*	*			trans	109.8	131.9	148.6	-74.9	-17.5	0	0	0	115.6
2254	S	28.2	Very low	31.5	Very low	108.4 Å²	108.4	124 Å²	124	76%	0.758	75%	0.751	S	S	*	*			trans	-133.7	120.7	142.5	6.5	0	0	0	0	110.9	S2256	S2254-S2256 PolarHBondContact O-N 2.88Å
2255	I	29.7	Very low	31.6	Very low	168.4 Å²	168.4	126.1 Å²	126.1	86%	0.864	75%	0.752	S	S	*	*			trans	-79.3	119.1	147.3	-61.2	176.6	0	0	0	111.1
2256	S	30.2	Very low	31.5	Very low	105.2 Å²	105.2	127.5 Å²	127.5	74%	0.736	75%	0.754	S	S	*	*			trans	-99.2	132	-177.6	-162.3	0	0	0	0	111.8	S2254	S2254-S2256 PolarHBondContact O-N 2.88Å
2257	S	30.2	Very low	31.6	Very low	98.8 Å²	98.8	131.7 Å²	131.7	69%	0.691	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-62.3	142.3	153.9	48.7	0	0	0	0	112.1	P2259	S2257-P2259 WeakPolarHBondContact O-CD 3.34Å
2258	P	35.6	Very low	31.4	Very low	118.8 Å²	118.8	132 Å²	132	77%	0.771	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-81.3	138.5	167.6	20.7	-20	0	0	0	112.1
2259	P	35	Very low	31.4	Very low	113.8 Å²	113.8	135.4 Å²	135.4	74%	0.739	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-85.4	153.6	165.1	32.4	-32.3	0	0	0	112	S2257	S2257-P2259 WeakPolarHBondContact O-CD 3.34Å
2260	P	36.9	Very low	31.5	Very low	114.4 Å²	114.4	136 Å²	136	74%	0.743	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-85.7	155.7	158	32.1	-30.9	0	0	0	113
2261	P	40.6	Very low	31.6	Very low	118.2 Å²	118.2	133.3 Å²	133.3	77%	0.768	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-70.8	151.8	165.5	30	-35	0	0	0	112
2262	P	37.8	Very low	31.5	Very low	113.4 Å²	113.4	131.2 Å²	131.2	74%	0.736	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-89.2	171.2	171.7	33.6	-30.8	0	0	0	111.9
2263	P	35.5	Very low	31.6	Very low	97.6 Å²	97.6	133.7 Å²	133.7	63%	0.634	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-90	167	-163.7	35.3	-31.4	0	0	0	112.3	H2265	P2263-H2265 PolarHBondContact O-N 3.19Å; P2263-H2265 VanDerWaalsContact O-N 3.08Å
2264	P	35.3	Very low	31.7	Very low	127.8 Å²	127.8	131.2 Å²	131.2	83%	0.83	76%	0.756	S	S	*	*			trans	-94.9	126.7	143.3	30.4	-27.2	0	0	0	112.5	Q2266	P2264-Q2266 VanDerWaalsContact C-N 3.35Å; P2264-Q2266 PolarHBondContact O-N 3.24Å
2265	H	30.7	Very low	31.9	Very low	163.2 Å²	163.2	131.9 Å²	131.9	76%	0.756	75%	0.751	S	S	*	*			trans	-75.7	133.6	178.4	-86.5	-99.6	0	0	0	112	P2263 R2267	P2263-H2265 PolarHBondContact O-N 3.19Å; P2263-H2265 VanDerWaalsContact O-N 3.08Å; H2265-R2267 PolarHBondContact O-N 3.1Å
2266	Q	27.5	Very low	32	Very low	166.8 Å²	166.8	130.8 Å²	130.8	78%	0.779	75%	0.747	S	S	*	*			trans	-57.8	115.6	159.1	-66.6	-178.9	0.3	0	0	111.7	P2264 T2268	P2264-Q2266 VanDerWaalsContact C-N 3.35Å; P2264-Q2266 PolarHBondContact O-N 3.24Å; Q2266-T2268 VanDerWaalsContact C-N 3.3Å; Q2266-T2268 PolarHBondContact O-N 3.17Å; Q2266-T2268 VanDerWaalsContact O-N 3.13Å
2267	R	29.3	Very low	32	Very low	210.4 Å²	210.4	132.4 Å²	132.4	79%	0.794	75%	0.747	S	S	*	*			trans	-99.4	110.1	157.1	-129.6	178.7	-123.2	-158.8	0.7	110.3	H2265 Y2269	H2265-R2267 PolarHBondContact O-N 3.1Å; R2267-Y2269 HydrophobicContact CB-CE2 4.4Å; R2267-Y2269 VanDerWaalsContact CD-CE2 3.49Å; R2267-Y2269 WeakPolarHBondContact CD-OH 3.4Å; R2267-Y2269 HydrophobicContact CG-CD2 4.17Å; R2267-Y2269 HydrophobicContact CG-CE2 3.66Å; R2267-Y2269 PolarHBondContact NH1-OH 3.36Å; R2267-Y2269 WeakPolarHBondContact O-CD2 3.1Å; R2267-Y2269 PolarHBondContact O-N 3.06Å
2268	T	28	Very low	31.9	Very low	122.6 Å²	122.6	135.8 Å²	135.8	75%	0.752	75%	0.754	S	S	*	*			trans	-75.3	119.1	160.3	-44	0	0	0	0	112.7	Q2266	Q2266-T2268 VanDerWaalsContact C-N 3.3Å; Q2266-T2268 PolarHBondContact O-N 3.17Å; Q2266-T2268 VanDerWaalsContact O-N 3.13Å
2269	Y	27.6	Very low	31.5	Very low	192.6 Å²	192.6	134.2 Å²	134.2	76%	0.755	75%	0.746	S	S	*	*			trans	-62.3	155.8	157.8	-74	-86.8	0	0	0	113.3	R2267 S2271	R2267-Y2269 HydrophobicContact CB-CE2 4.4Å; R2267-Y2269 VanDerWaalsContact CD-CE2 3.49Å; R2267-Y2269 WeakPolarHBondContact CD-OH 3.4Å; R2267-Y2269 HydrophobicContact CG-CD2 4.17Å; R2267-Y2269 HydrophobicContact CG-CE2 3.66Å; R2267-Y2269 PolarHBondContact NH1-OH 3.36Å; R2267-Y2269 WeakPolarHBondContact O-CD2 3.1Å; R2267-Y2269 PolarHBondContact O-N 3.06Å; Y2269-S2271 PolarHBondContact O-N 3.44Å; Y2269-S2271 VanDerWaalsContact O-N 3.08Å
2270	P	32.7	Very low	31.3	Very low	117.4 Å²	117.4	133.9 Å²	133.9	76%	0.762	74%	0.742	S	S	*	*			trans	-103.3	148.3	-135.6	34.9	-28.8	0	0	0	113.1	N2272	P2270-N2272 VanDerWaalsContact C-N 3.32Å; P2270-N2272 PolarHBondContact O-N 3.01Å
2271	S	27.4	Very low	30.9	Very low	105.8 Å²	105.8	135.6 Å²	135.6	74%	0.74	74%	0.74	S	S	*	*			trans	-101.7	110.6	159.6	97.6	0	0	0	0	112.3	Y2269 N2273	Y2269-S2271 PolarHBondContact O-N 3.44Å; Y2269-S2271 VanDerWaalsContact O-N 3.08Å; S2271-N2273 VanDerWaalsContact C-N 3.27Å; S2271-N2273 PolarHBondContact O-N 3.3Å
2272	N	29.2	Very low	30.2	Very low	148 Å²	148	136.8 Å²	136.8	79%	0.791	74%	0.739	S	S	*	*			trans	-69.7	124.6	148.6	-103.7	-1.4	0	0	0	113.5	P2270	P2270-N2272 VanDerWaalsContact C-N 3.32Å; P2270-N2272 PolarHBondContact O-N 3.01Å
2273	N	28.5	Very low	29.8	Very low	141 Å²	141	135.7 Å²	135.7	75%	0.754	74%	0.735	S	S	*	*			trans	-122.9	135	-164.1	-119.1	-3.9	0	0	0	111.8	S2271 N2275	S2271-N2273 VanDerWaalsContact C-N 3.27Å; S2271-N2273 PolarHBondContact O-N 3.3Å; N2273-N2275 VanDerWaalsContact C-N 3.31Å; N2273-N2275 PolarHBondContact O-N 3.25Å
2274	S	31.1	Very low	29.5	Very low	102 Å²	102	136.6 Å²	136.6	71%	0.713	74%	0.738	S	S	*	*			trans	-101.1	117.4	151.3	95.5	0	0	0	0	114.3	N2276	S2274-N2276 PolarHBondContact O-N 2.98Å
2275	N	30.7	Very low	29.3	Very low	124.4 Å²	124.4	138.2 Å²	138.2	67%	0.665	73%	0.734	S	S	*	*			trans	-112	138.6	156.5	-77.1	-17.4	0	0	0	110.8	N2273	N2273-N2275 VanDerWaalsContact C-N 3.31Å; N2273-N2275 PolarHBondContact O-N 3.25Å
2276	N	32.7	Very low	29.2	Very low	144 Å²	144	136.9 Å²	136.9	77%	0.77	73%	0.732	S	S	*	*				159.1	133.8	123.8	-80.6	-22.4	0	0	0	113	S2274	S2274-N2276 PolarHBondContact O-N 2.98Å
2277	N	29.3	Very low	29.3	Very low	140.4 Å²	140.4	135.3 Å²	135.3	75%	0.751	73%	0.729	S	S	*	*			trans	-120.3	153.8	135.8	-81.8	-20.6	0	0	0	113.6
2278	M	29.1	Very low	29.3	Very low	168.6 Å²	168.6	131.1 Å²	131.1	83%	0.831	73%	0.727	S	S	*	*			trans	119.7	121.6	144.5	-82.9	-111.8	-91.7	0	0	114.7
2279	S	27.9	Very low	29.5	Very low	84.8 Å²	84.8	130.4 Å²	130.4	59%	0.593	72%	0.724	S	S	*	*				155.4	149.5	106.6	-55.6	0	0	0	0	115.7
2280	T	30.2	Very low	29.6	Very low	109.2 Å²	109.2	127.6 Å²	127.6	67%	0.67	73%	0.727	S	S	*	*			trans	62.2	143.1	150.3	51.4	0	0	0	0	120.5	I2412 Q2413 T2414	T2280-I2412 VanDerWaalsContact O-CG2 3.32Å; T2280-I2412 WeakPolarHBondContact O-CG2 3.48Å; T2280-Q2413 CarbonylContact C-O 3.58Å; T2280-Q2413 VanDerWaalsContact C-O 3.28Å; T2280-Q2413 WeakPolarHBondContact CA-O 3.47Å; T2280-T2414 VanDerWaalsContact CG2-O 3.32Å; T2280-T2414 WeakPolarHBondContact CG2-O 3.45Å
2281	E	27.9	Very low	29.3	Very low	149.6 Å²	149.6	126.7 Å²	126.7	70%	0.699	72%	0.724	S	S	*	*			cis	179.1	168	-8.8	-123.9	173.2	-173.8	0	0	112.3	Q2413 T2414 N2415	E2281-Q2413 WeakPolarHBondContact CA-O 3.46Å; E2281-Q2413 WeakPolarHBondContact CB-O 3.28Å; E2281-Q2413 PolarHBondContact N-O 2.63Å; E2281-T2414 WeakPolarHBondContact OE1-CA 3.3Å; E2281-T2414 PolarHBondContact OE1-N 3.33Å; E2281-N2415 VanDerWaalsContact CD-N 3.3Å; E2281-N2415 PolarHBondContact OE1-N 3.29Å; E2281-N2415 PolarHBondContact OE2-N 3.03Å
2282	L	26.9	Very low	29.3	Very low	143 Å²	143	127.3 Å²	127.3	75%	0.749	73%	0.727	S	S	*	*			trans	68.2	131.2	147	-93.3	111.8	0	0	0	118.2
2283	S	27.8	Very low	29.1	Very low	91.2 Å²	91.2	127.3 Å²	127.3	64%	0.638	73%	0.725	S	S	*	*				50.4	140.9	106.1	-19.5	0	0	0	0	118.7
2284	T	31.2	Very low	29	Very low	115.8 Å²	115.8	128 Å²	128	71%	0.71	73%	0.726	S	S	*	*				133.6	141.9	116.3	47.2	0	0	0	0	116
2285	H	29.1	Very low	28.8	Very low	161.4 Å²	161.4	127.9 Å²	127.9	75%	0.747	72%	0.721	S	S	*	*				56.4	126.9	117.3	-75.3	-69.4	0	0	0	118.6
2286	L	29.3	Very low	28.6	Very low	136.2 Å²	136.2	130.4 Å²	130.4	71%	0.713	73%	0.729	S	S	*	*				113.7	136.1	118.6	-105.7	85.1	0	0	0	114.9	T2288	L2286-T2288 HydrophobicContact CD2-CG2 3.95Å
2287	N	28.9	Very low	28.3	Very low	132 Å²	132	128.5 Å²	128.5	71%	0.706	73%	0.727	S	S	*	*				86.7	107.9	108.9	-90.4	4.3	0	0	0	117.5
2288	T	29.4	Very low	28.2	Very low	122.6 Å²	122.6	127.9 Å²	127.9	75%	0.752	73%	0.728	S	S	*	*				144.4	154	111.7	31.8	0	0	0	0	114	L2286	L2286-T2288 HydrophobicContact CD2-CG2 3.95Å
2289	P	32.7	Very low	28.1	Very low	108 Å²	108	126 Å²	126	70%	0.701	73%	0.727	S	S	*	*			trans	-130.4	-178.1	-148.9	39.4	-23.5	0	0	0	114.9
2290	T	30.3	Very low	28	Very low	133.2 Å²	133.2	128.1 Å²	128.1	82%	0.817	74%	0.735	S	S	*	*			trans	91.1	142	160.4	2.7	0	0	0	0	116.1
2291	S	25.6	Very low	27.9	Very low	99.2 Å²	99.2	129.5 Å²	129.5	69%	0.694	74%	0.744	S	S	*	*			trans	130.2	140.6	132.5	57.7	0	0	0	0	116.3
2292	C	27.2	Very low	28	Very low	117.8 Å²	117.8	125.7 Å²	125.7	80%	0.796	75%	0.745	S	S	*	*			trans	134.6	140.6	130.1	-80.3	0	0	0	0	113.5
2293	I	26.4	Very low	28.1	Very low	148.6 Å²	148.6	125.3 Å²	125.3	76%	0.762	75%	0.749	S	S	*	*				-91.8	126.9	116.9	-69.3	166.5	0	0	0	111
2294	M	26.2	Very low	28.2	Very low	155 Å²	155	127.1 Å²	127.1	76%	0.764	76%	0.755	S	S	*	*			trans	177.6	140.8	135.4	-97.7	-147.6	-113.2	0	0	113.2	Y2091 E2093	Y2091-M2294 PolarHBondContact OH-SD 2.86Å; E2093-M2294 WeakPolarHBondContact OE2-CE 3.4Å
2295	T	25.5	Very low	28	Very low	100.2 Å²	100.2	128 Å²	128	62%	0.615	76%	0.756	S	S	*	*			trans	10.5	136.2	137.1	42.7	0	0	0	0	117.6
2296	Q	27.7	Very low	27.9	Very low	178.4 Å²	178.4	127.5 Å²	127.5	83%	0.834	76%	0.756	S	S	*	*			trans	113.9	134.4	143.1	-87.3	168.7	50.3	0	0	114.7
2297	S	25.2	Very low	27.8	Very low	102.6 Å²	102.6	128.2 Å²	128.2	72%	0.717	76%	0.755	S	S	*	*				152.7	154	92.2	55.1	0	0	0	0	113.4	T2299	S2297-T2299 PolarHBondContact O-N 3.44Å
2298	T	27.2	Very low	27.8	Very low	128.4 Å²	128.4	129.7 Å²	129.7	79%	0.788	76%	0.758	S	S	*	*			trans	-84.1	130.6	171	47.6	0	0	0	0	115
2299	T	26.7	Very low	27.9	Very low	129.4 Å²	129.4	130.8 Å²	130.8	79%	0.794	76%	0.757	S	S	*	*			trans	-168.6	141.4	148.4	23.7	0	0	0	0	111.5	S2297	S2297-T2299 PolarHBondContact O-N 3.44Å
2300	V	27.5	Very low	27.7	Very low	128.4 Å²	128.4	131.7 Å²	131.7	78%	0.778	76%	0.756	S	S	*	*				108	125.1	123.6	177.3	0	0	0	0	114.6
2301	T	28.3	Very low	27.7	Very low	139.2 Å²	139.2	131.5 Å²	131.5	85%	0.854	75%	0.75	S	S	*	*			trans	-15.4	142.9	159.1	42.8	0	0	0	0	116.1
2302	G	29	Very low	28	Very low	68.6 Å²	68.6	133.4 Å²	133.4	71%	0.707	75%	0.752	S	S	*	*				153.7	129.3	127.4	0	0	0	0	0	114
2303	T	28.8	Very low	28.2	Very low	135.6 Å²	135.6	134.3 Å²	134.3	83%	0.832	75%	0.745	S	S	*	*			trans	-99.6	133.5	142	50	0	0	0	0	114.7
2304	V	29.4	Very low	28.4	Very low	128.6 Å²	128.6	136.6 Å²	136.6	78%	0.779	74%	0.744	S	S	*	*				118.3	138.4	114.2	169.4	0	0	0	0	113.4
2305	N	27.1	Very low	28.6	Very low	134.4 Å²	134.4	137.2 Å²	137.2	72%	0.719	74%	0.743	S	S	*	*			trans	127.7	140.1	138.3	-134.1	5.2	0	0	0	115.1
2306	M	27.7	Very low	28.9	Very low	151.4 Å²	151.4	140.4 Å²	140.4	75%	0.746	75%	0.75	S	S	*	*			trans	83.9	113.6	140.3	-68.4	-71.3	-128.1	0	0	115
2307	Q	27.4	Very low	28.9	Very low	150.4 Å²	150.4	138.8 Å²	138.8	70%	0.703	75%	0.747	S	S	*	*				-165.7	144.4	63.1	-92.1	169.4	-23.2	0	0	114
2308	H	29	Very low	29.3	Very low	164.4 Å²	164.4	139.4 Å²	139.4	76%	0.761	75%	0.749	S	S	*	*				86.7	131.5	118.4	-102.9	-75.6	0	0	0	115.2
2309	I	30.8	Very low	29.4	Very low	145.6 Å²	145.6	137.5 Å²	137.5	75%	0.747	75%	0.746	S	S	*	*			trans	-168.3	133.2	135.9	-81.3	159	0	0	0	109.2
2310	N	28.1	Very low	29.8	Very low	126.6 Å²	126.6	136.5 Å²	136.5	68%	0.677	74%	0.742	S	S	*	*				87.3	142.4	119.6	-122.3	9.4	0	0	0	115.1
2311	N	31.7	Very low	29.8	Very low	128.6 Å²	128.6	140.8 Å²	140.8	69%	0.688	75%	0.746	S	S	*	*				146.8	140.8	104.5	-88.9	-21	0	0	0	114.5
2312	N	30.6	Very low	29.7	Very low	138.8 Å²	138.8	140.9 Å²	140.9	74%	0.742	74%	0.741	S	S	*	*			trans	35.8	143.6	147	-67.4	-20.9	0	0	0	116.5
2313	E	32.5	Very low	29.6	Very low	136.4 Å²	136.4	144.4 Å²	144.4	64%	0.637	74%	0.742	S	S	*	*			cis	-170.2	146.3	33.2	-104.5	-163.2	147.4	0	0	115.7
2314	R	30.3	Very low	29.5	Very low	197.2 Å²	197.2	145.7 Å²	145.7	74%	0.744	74%	0.736	S	S	*	*			trans	61.6	124.2	134.9	-81.2	176	179	173.3	5.7	120.1
2315	K	29.1	Very low	29.4	Very low	168.8 Å²	168.8	145.7 Å²	145.7	73%	0.734	73%	0.732	S	S	*	*				159.5	147.7	72.9	-82.7	175.2	-179	-179.7	0	114.5
2316	H	32.3	Very low	29.4	Very low	165.8 Å²	165.8	143.9 Å²	143.9	77%	0.768	73%	0.73	S	S	*	*				108.5	121.3	124.3	-78.5	-70.8	0	0	0	117.3
2317	N	27.6	Very low	29.6	Very low	144.6 Å²	144.6	145 Å²	145	77%	0.773	73%	0.733	S	S	*	*			trans	-75.2	159.7	137.5	-115.5	-2.4	0	0	0	111.7
2318	P	33.8	Very low	29.7	Very low	116.4 Å²	116.4	145.6 Å²	145.6	76%	0.756	74%	0.736	S	S	*	*			cis	-146.3	170	49.8	36.9	-15.6	0	0	0	117.6
2319	A	29	Very low	29.7	Very low	87.8 Å²	87.8	146.1 Å²	146.1	73%	0.726	74%	0.736	S	S	*	*			trans	-46.7	166.7	150.1	0	0	0	0	0	116.7
2320	P	36.6	Very low	29.6	Very low	109.8 Å²	109.8	144.8 Å²	144.8	71%	0.713	74%	0.739	S	S	*	*			trans	-133.5	174.8	178.7	33.9	-14.1	0	0	0	114.4
2321	Y	26.6	Very low	29.6	Very low	216.8 Å²	216.8	141.9 Å²	141.9	85%	0.85	74%	0.739	S	S	*	*			trans	128.6	134	147.6	-80.3	-80.6	0	0	0	116.3
2322	L	26.5	Very low	29.5	Very low	143.2 Å²	143.2	143.2 Å²	143.2	75%	0.75	74%	0.744	S	S	*	*			trans	73.9	135.5	148.5	-79.3	152.7	0	0	0	112.4	K2324	L2322-K2324 HydrophobicContact CD2-CD 4.33Å; L2322-K2324 HydrophobicContact CD2-CG 3.75Å
2323	L	27.2	Very low	29.8	Very low	142.2 Å²	142.2	142.1 Å²	142.1	75%	0.745	74%	0.744	S	S	*	*				-166.4	132.8	80.5	-140.8	70.5	0	0	0	109.6
2324	K	26.7	Very low	29.8	Very low	161 Å²	161	140.7 Å²	140.7	70%	0.7	75%	0.747	S	S	*	*				57.7	134.1	118.1	-90	179.9	-175.3	178.9	0	118.6	L2322	L2322-K2324 HydrophobicContact CD2-CD 4.33Å; L2322-K2324 HydrophobicContact CD2-CG 3.75Å
2325	N	27.2	Very low	29.8	Very low	129.6 Å²	129.6	136 Å²	136	69%	0.693	74%	0.744	S	S	*	*				88.6	121.3	128.1	-76.3	9.9	0	0	0	116.2
2326	S	27.4	Very low	29.8	Very low	96.4 Å²	96.4	135.1 Å²	135.1	67%	0.674	75%	0.747	S	S	*	*				120	122.5	57.5	57.2	0	0	0	0	114.1
2327	Q	30.7	Very low	29.8	Very low	174.8 Å²	174.8	134 Å²	134	82%	0.817	75%	0.746	S	S	*	*			trans	86.8	132.3	139.1	-75.7	-175.8	-1.5	0	0	116.9
2328	Q	30.7	Very low	29.9	Very low	162.6 Å²	162.6	132.8 Å²	132.8	76%	0.76	74%	0.744	S	S	*	*			trans	133.5	134.7	132.5	-86.9	173.4	19	0	0	114.2
2329	K	28.8	Very low	29.6	Very low	175.2 Å²	175.2	137 Å²	137	76%	0.762	75%	0.746	S	S	*	*				164.3	128.5	76.6	-153.8	174.8	-174.4	176.1	0	114.9
2330	C	27.1	Very low	29.6	Very low	118.8 Å²	118.8	141.5 Å²	141.5	80%	0.803	75%	0.749	S	S	*	*			trans	50.8	133.8	142.9	-55.2	0	0	0	0	120.9	I2332	C2330-I2332 HydrophobicContact CB-CD1 4.46Å
2331	G	28.5	Very low	29.4	Very low	66 Å²	66	141.5 Å²	141.5	68%	0.68	75%	0.749	S	S	*	*				119.8	118.6	120.2	0	0	0	0	0	114.8
2332	I	29.7	Very low	29.4	Very low	155.6 Å²	155.6	136.4 Å²	136.4	80%	0.798	74%	0.744	S	S	*	*				89.7	135.7	104.3	-48.4	163.3	0	0	0	112.6	C2330	C2330-I2332 HydrophobicContact CB-CD1 4.46Å
2333	P	36.7	Very low	29.4	Very low	115.4 Å²	115.4	137.7 Å²	137.7	75%	0.749	75%	0.746	S	S	*	*				-126.1	-149.9	-70.2	37.2	-19.1	0	0	0	111.4
2334	P	33.8	Very low	29.4	Very low	107.4 Å²	107.4	137.1 Å²	137.1	70%	0.697	74%	0.743	S	S	*	*			cis	-131.1	-170.1	-39.3	37	-16.7	0	0	0	113.7
2335	S	29.9	Very low	29.4	Very low	97.4 Å²	97.4	135.5 Å²	135.5	68%	0.681	74%	0.742	S	S	*	*				157.6	147.9	109.2	51.2	0	0	0	0	115.3
2336	N	28.9	Very low	29.5	Very low	149.4 Å²	149.4	138.6 Å²	138.6	80%	0.799	74%	0.743	S	S	*	*			trans	172.3	128.4	133.5	-101.3	-12.8	0	0	0	114.4
2337	I	31.9	Very low	29.5	Very low	143.2 Å²	143.2	141.2 Å²	141.2	73%	0.734	75%	0.745	S	S	*	*				-112.1	126.8	128.8	-61.5	166.5	0	0	0	110.8	Y2339	I2337-Y2339 HydrophobicContact CG2-CD2 4.4Å
2338	T	29.6	Very low	29.5	Very low	119.8 Å²	119.8	138.8 Å²	138.8	74%	0.735	74%	0.738	S	S	*	*				173.5	127	115.9	-69.2	0	0	0	0	111.5
2339	Y	28.5	Very low	29.6	Very low	203.8 Å²	203.8	138.1 Å²	138.1	80%	0.799	74%	0.735	S	S	*	*			trans	-25.6	150.3	157.7	-81.6	-107.8	0	0	0	116.3	I2337	I2337-Y2339 HydrophobicContact CG2-CD2 4.4Å
2340	K	28.7	Very low	29.6	Very low	184 Å²	184	137.7 Å²	137.7	80%	0.8	73%	0.733	S	S	*	*				-137.5	177.9	113.8	-99.2	-179.2	178.4	-175.8	0	110.2
2341	P	33	Very low	29.6	Very low	108 Å²	108	138.9 Å²	138.9	70%	0.701	73%	0.73	S	S	*	*			cis	-131.9	178.1	-15.5	40.2	-24.1	0	0	0	115.1
2342	C	25.4	Very low	29.7	Very low	110.4 Å²	110.4	143.9 Å²	143.9	75%	0.746	74%	0.736	S	S	*	*			trans	45	143.6	152.1	-68.8	0	0	0	0	114.8
2343	E	26.4	Very low	29.6	Very low	171.2 Å²	171.2	141.8 Å²	141.8	80%	0.8	73%	0.73	S	S	*	*				-129.7	153.3	72.2	-105.9	178.7	174.6	0	0	110.6
2344	I	27.1	Very low	29.1	Very low	129.8 Å²	129.8	143.7 Å²	143.7	67%	0.666	73%	0.734	S	S	*	*				170.9	127.7	105.3	-95.4	167.3	0	0	0	112.5
2345	N	27.4	Very low	28.8	Very low	127.2 Å²	127.2	143.7 Å²	143.7	68%	0.68	74%	0.736	S	S	*	*			trans	75.5	139.3	147.1	-71.3	-15.5	0	0	0	117.4
2346	R	29.4	Very low	29.1	Very low	193.8 Å²	193.8	144.5 Å²	144.5	73%	0.731	74%	0.739	S	S	*	*			cis	-168.9	144.8	31.7	-127.3	-178.7	164	124.1	4.9	111.6	D2348	R2346-D2348 VanDerWaalsContact C-N 3.28Å; R2346-D2348 PolarHBondContact O-N 3.12Å
2347	E	28.5	Very low	29	Very low	150.6 Å²	150.6	145.7 Å²	145.7	70%	0.704	74%	0.74	S	S	*	*			trans	34.3	125.3	131.3	-67.8	166.1	-178.8	0	0	116.7
2348	D	29.4	Very low	28.7	Very low	126 Å²	126	145.2 Å²	145.2	67%	0.674	74%	0.738	S	S	*	*			cis	-179.6	148.4	44.7	-119.9	-42	0	0	0	111.3	R2346	R2346-D2348 VanDerWaalsContact C-N 3.28Å; R2346-D2348 PolarHBondContact O-N 3.12Å
2349	H	33.3	Very low	28.6	Very low	148 Å²	148	147.1 Å²	147.1	69%	0.685	74%	0.739	S	S	*	*			trans	118.4	130.6	141	-73.6	-9.7	0	0	0	116.5
2350	K	29.5	Very low	28.7	Very low	165.6 Å²	165.6	144.7 Å²	144.7	72%	0.72	73%	0.734	S	S	*	*				145.5	130.7	80.5	-105.6	171.2	179	172.3	0	114	Q2352	K2350-Q2352 VanDerWaalsContact C-N 3.3Å; K2350-Q2352 PolarHBondContact O-N 3Å
2351	L	26.9	Very low	28.7	Very low	144.6 Å²	144.6	142.4 Å²	142.4	76%	0.757	73%	0.73	S	S	*	*				39.3	137.3	114.2	-80.2	129	0	0	0	115.9
2352	Q	29.4	Very low	28.6	Very low	170.4 Å²	170.4	141.6 Å²	141.6	80%	0.796	73%	0.727	S	S	*	*				172	141.8	108.2	-119.1	168	-11	0	0	113.9	K2350	K2350-Q2352 VanDerWaalsContact C-N 3.3Å; K2350-Q2352 PolarHBondContact O-N 3Å
2353	T	27.1	Very low	28.8	Very low	110.8 Å²	110.8	144.7 Å²	144.7	68%	0.68	73%	0.728	S	S	*	*			trans	-92.2	148.8	156.4	12.5	0	0	0	0	112.7
2354	L	27.6	Very low	29	Very low	157 Å²	157	144.6 Å²	144.6	82%	0.822	73%	0.725	S	S	*	*			trans	142.7	113.3	136.4	-86.4	159.3	0	0	0	116.1
2355	S	27	Very low	29.2	Very low	106.8 Å²	106.8	144.2 Å²	144.2	75%	0.747	72%	0.724	S	S	*	*			trans	-12.2	155.7	134.4	-56.5	0	0	0	0	118.9
2356	P	36.2	Very low	29.3	Very low	114.8 Å²	114.8	145.3 Å²	145.3	75%	0.745	73%	0.725	S	S	*	*			trans	-120.5	158.7	159.6	33.3	-18.8	0	0	0	113.4
2357	Q	27.4	Very low	29.4	Very low	174.6 Å²	174.6	142.3 Å²	142.3	82%	0.816	72%	0.722	S	S	*	*			trans	154.9	145.9	146.4	-101.9	-169.2	-5.2	0	0	112.4
2358	L	26	Very low	29.5	Very low	132 Å²	132	142.7 Å²	142.7	69%	0.691	72%	0.724	S	S	*	*				160.5	130.1	78.6	-152.8	70.5	0	0	0	113.2
2359	E	27.2	Very low	29.3	Very low	160.4 Å²	160.4	141.4 Å²	141.4	75%	0.75	73%	0.725	S	S	*	*			trans	64.9	153.4	138.8	-85.2	174.2	-177.4	0	0	118.8
2360	H	29.1	Very low	29	Very low	152.2 Å²	152.2	140.4 Å²	140.4	71%	0.705	73%	0.729	S	S	*	*			cis	-171.1	154.5	15.8	-138.2	-103.2	0	0	0	112.8
2361	L	29.2	Very low	28.8	Very low	136.2 Å²	136.2	138.6 Å²	138.6	71%	0.713	73%	0.732	S	S	*	*			trans	69.8	146.6	144.6	-85.6	130	0	0	0	117.2
2362	S	30.1	Very low	28.9	Very low	92 Å²	92	138.9 Å²	138.9	64%	0.643	73%	0.733	S	S	*	*			cis	-156.5	139.6	45.3	-166.8	0	0	0	0	111.8
2363	K	31.6	Very low	28.7	Very low	175.4 Å²	175.4	135.4 Å²	135.4	76%	0.763	73%	0.727	S	S	*	*			trans	106.6	138	137.7	-75.8	170.8	-172.2	171.2	0	114.2
2364	K	28.8	Very low	28.6	Very low	168.6 Å²	168.6	136.1 Å²	136.1	73%	0.733	73%	0.732	S	S	*	*				117.4	142.6	61.6	-124	-172.9	170.1	-170.8	0	113.5
2365	N	31.7	Very low	28.7	Very low	121.4 Å²	121.4	134.6 Å²	134.6	65%	0.649	73%	0.729	S	S	*	*			trans	113.2	140.9	134.2	-78.5	-2.4	0	0	0	113.9
2366	Q	29.7	Very low	28.7	Very low	150.6 Å²	150.6	136.2 Å²	136.2	70%	0.704	73%	0.729	S	S	*	*			cis	138.8	147.6	14.2	-128.5	-178.6	-14.9	0	0	109.2
2367	I	31.8	Very low	28.4	Very low	130.4 Å²	130.4	137 Å²	137	67%	0.669	73%	0.727	S	S	*	*				174.7	143.9	89	-104.8	164.7	0	0	0	112.8
2368	H	29.9	Very low	28.5	Very low	159.2 Å²	159.2	134.6 Å²	134.6	74%	0.737	72%	0.72	S	S	*	*			trans	11.7	142.9	164.7	-65.2	-44.5	0	0	0	119.3
2369	S	25.7	Very low	28.7	Very low	98.8 Å²	98.8	133.7 Å²	133.7	69%	0.691	72%	0.716	S	S	*	*				88.7	129.4	55.3	-40.7	0	0	0	0	115.9
2370	T	28.1	Very low	28.9	Very low	127.4 Å²	127.4	132.6 Å²	132.6	78%	0.782	72%	0.715	S	S	*	*			trans	166.3	112.4	134.8	3.8	0	0	0	0	115.4	I2372	T2370-I2372 HydrophobicContact CG2-CD1 3.97Å; T2370-I2372 HydrophobicContact CG2-CG1 3.99Å
2371	T	24.6	Very low	28.8	Very low	126.8 Å²	126.8	131.9 Å²	131.9	78%	0.778	72%	0.717	S	S	*	*			trans	44.5	147.4	137.2	-38.3	0	0	0	0	116
2372	I	28.8	Very low	28.9	Very low	150.6 Å²	150.6	132.7 Å²	132.7	77%	0.772	72%	0.721	S	S	*	*			trans	136.2	124.9	163.6	-60.2	173.7	0	0	0	113.4	T2370	T2370-I2372 HydrophobicContact CG2-CD1 3.97Å; T2370-I2372 HydrophobicContact CG2-CG1 3.99Å
2373	S	24.9	Very low	28.8	Very low	97.6 Å²	97.6	135.4 Å²	135.4	68%	0.683	73%	0.728	S	S	*	*			trans	162.6	135.4	161.5	14.9	0	0	0	0	112.4
2374	T	26.1	Very low	28.7	Very low	126.2 Å²	126.2	131.8 Å²	131.8	77%	0.774	73%	0.731	S	S	*	*			trans	110.3	129.7	143.5	49.6	0	0	0	0	117
2375	T	29.3	Very low	28.9	Very low	124.4 Å²	124.4	129.5 Å²	129.5	76%	0.763	73%	0.733	S	S	*	*				159.9	128.2	109.3	19.9	0	0	0	0	114.4
2376	N	27.3	Very low	28.7	Very low	140.4 Å²	140.4	131.1 Å²	131.1	75%	0.751	74%	0.742	S	S	*	*				65.8	137.3	111	-111.2	11.5	0	0	0	120.9
2377	N	29.6	Very low	28.9	Very low	131.2 Å²	131.2	129.6 Å²	129.6	70%	0.702	75%	0.745	S	S	*	*			trans	80.9	123.2	158.8	-75.3	-6.4	0	0	0	119.4
2378	N	30	Very low	28.8	Very low	123.8 Å²	123.8	128.5 Å²	128.5	66%	0.662	75%	0.749	S	S	*	*				111.8	128	98.8	-86.8	-17.9	0	0	0	115.9
2379	N	28.4	Very low	28.7	Very low	113.2 Å²	113.2	128.7 Å²	128.7	61%	0.605	75%	0.754	S	S	*	*			trans	48.6	111.2	131.5	-64.4	-18.8	0	0	0	119
2380	N	31.3	Very low	28.8	Very low	139 Å²	139	131.4 Å²	131.4	74%	0.743	76%	0.76	S	S	*	*				158.3	139.7	100.9	-78.6	-26.9	0	0	0	116
2381	N	29	Very low	28.8	Very low	137.6 Å²	137.6	134 Å²	134	74%	0.736	76%	0.761	S	S	*	*			trans	78.7	134.8	156.5	-64.1	-34.8	0	0	0	116.4
2382	L	30.3	Very low	29.1	Very low	151.2 Å²	151.2	133.8 Å²	133.8	79%	0.792	76%	0.762	S	S	*	*				160.7	122.4	123.4	-97.9	145.9	0	0	0	112.6
2383	N	28.4	Very low	29.1	Very low	149.8 Å²	149.8	133 Å²	133	80%	0.801	76%	0.763	S	S	*	*			trans	-130.7	134.3	151.7	-66.3	-32.8	0	0	0	115.8	P2385	N2383-P2385 WeakPolarHBondContact O-CD 3.19Å
2384	A	28.9	Very low	29.2	Very low	98.8 Å²	98.8	138.8 Å²	138.8	82%	0.817	77%	0.77	S	S	*	*			trans	-150.1	137.4	147.1	0	0	0	0	0	111.3
2385	P	34.1	Very low	29.4	Very low	121 Å²	121	138.5 Å²	138.5	79%	0.786	77%	0.77	S	S	*	*			trans	-102.2	151.2	-170.4	28.4	-19.3	0	0	0	114.7	N2383	N2383-P2385 WeakPolarHBondContact O-CD 3.19Å
2386	N	27.5	Very low	29.2	Very low	155.8 Å²	155.8	137.7 Å²	137.7	83%	0.833	77%	0.77	S	S	*	*			trans	-92.7	157.6	159	-86.7	-32.1	0	0	0	113.6
2387	P	32.4	Very low	29.2	Very low	118.6 Å²	118.6	135.4 Å²	135.4	77%	0.77	77%	0.765	S	S	*	*			trans	-105.6	150.1	-172.4	36.3	-28.9	0	0	0	113.8
2388	S	29.2	Very low	29.1	Very low	107.2 Å²	107.2	139.7 Å²	139.7	75%	0.75	77%	0.773	S	S	*	*			trans	-119.3	133.9	167	59.1	0	0	0	0	114.7	L2390	S2388-L2390 PolarHBondContact O-N 3.31Å
2389	L	28.8	Very low	29	Very low	162.4 Å²	162.4	144.4 Å²	144.4	85%	0.85	78%	0.782	S	S	*	*			trans	-90.3	116.7	165.2	-89.4	131.4	0	0	0	114.3
2390	L	28.7	Very low	29	Very low	156 Å²	156	144.4 Å²	144.4	82%	0.817	79%	0.787	S	S	*	*			trans	-58.1	131.1	149.1	-85.8	153.2	0	0	0	115	S2388	S2388-L2390 PolarHBondContact O-N 3.31Å
2391	K	27.5	Very low	29	Very low	182.2 Å²	182.2	143.6 Å²	143.6	79%	0.792	79%	0.787	S	S	*	*			trans	-63.2	149	151.8	-70.3	173.5	178.8	176.8	0	114.1	V2393	K2391-V2393 PolarHBondContact O-N 3.22Å
2392	P	30.1	Very low	29.1	Very low	122.6 Å²	122.6	142.4 Å²	142.4	80%	0.796	79%	0.787	S	S	*	*			trans	-82.1	127.7	174	30.4	-29.2	0	0	0	112.4
2393	V	29.5	Very low	29.1	Very low	133.4 Å²	133.4	142.4 Å²	142.4	81%	0.808	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-76.4	127.2	164.3	177.8	0	0	0	0	111.8	K2391 P2395	K2391-V2393 PolarHBondContact O-N 3.22Å; V2393-P2395 WeakPolarHBondContact O-CD 3.37Å
2394	R	27.1	Very low	29.3	Very low	219.4 Å²	219.4	143.9 Å²	143.9	83%	0.828	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-54.5	140	168.9	-78.5	-177.5	176.5	172.7	-1.6	112.7	S2396	R2394-S2396 PolarHBondContact O-N 3.02Å
2395	P	29.6	Very low	29.4	Very low	119.6 Å²	119.6	146.6 Å²	146.6	78%	0.777	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-84.7	126.8	152.5	24.2	-17.5	0	0	0	111.7	V2393 S2397	V2393-P2395 WeakPolarHBondContact O-CD 3.37Å; P2395-S2397 VanDerWaalsContact C-N 3.26Å; P2395-S2397 PolarHBondContact O-N 3.01Å; P2395-S2397 VanDerWaalsContact O-N 3.15Å
2396	S	25.6	Very low	29.2	Very low	108.4 Å²	108.4	148 Å²	148	76%	0.758	79%	0.79	S	S	*	*			trans	-88.4	94.9	165	55.3	0	0	0	0	112.5	R2394 Y2398	R2394-S2396 PolarHBondContact O-N 3.02Å; S2396-Y2398 PolarHBondContact O-N 3.25Å
2397	S	27.4	Very low	29.3	Very low	91.4 Å²	91.4	148 Å²	148	64%	0.639	79%	0.79	S	S	*	*			trans	-120	93.4	166.2	62.4	0	0	0	0	113.7	P2395 W2399	P2395-S2397 VanDerWaalsContact C-N 3.26Å; P2395-S2397 PolarHBondContact O-N 3.01Å; P2395-S2397 VanDerWaalsContact O-N 3.15Å; S2397-W2399 PolarHBondContact O-N 3.08Å; S2397-W2399 PolarHBondContact OG-NE1 3.46Å
2398	Y	27.5	Very low	29.2	Very low	223 Å²	223	147.9 Å²	147.9	88%	0.875	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-71.4	126.8	161.8	-109.1	-94.1	0	0	0	110.1	S2396 P2400	S2396-Y2398 PolarHBondContact O-N 3.25Å; Y2398-P2400 WeakPolarHBondContact O-CD 3.44Å
2399	W	26.8	Very low	29.2	Very low	222.4 Å²	222.4	147.7 Å²	147.7	84%	0.842	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-79.5	135.6	174.6	-75.3	87.1	0	0	0	109.8	S2397 V2401	S2397-W2399 PolarHBondContact O-N 3.08Å; S2397-W2399 PolarHBondContact OG-NE1 3.46Å; W2399-V2401 HydrophobicContact CE3-CB 4.28Å; W2399-V2401 HydrophobicContact CE3-CG2 3.8Å; W2399-V2401 HydrophobicContact CZ3-CB 4.4Å; W2399-V2401 HydrophobicContact CZ3-CG2 3.81Å
2400	P	29.1	Very low	29.3	Very low	111.6 Å²	111.6	146.3 Å²	146.3	73%	0.725	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-86.5	142	164.5	32.6	-31.8	0	0	0	111.4	Y2398	Y2398-P2400 WeakPolarHBondContact O-CD 3.44Å
2401	V	30.7	Very low	29.3	Very low	122.8 Å²	122.8	146.5 Å²	146.5	74%	0.744	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-78.9	137.3	166.7	175.7	0	0	0	0	108.6	W2399 D2403	W2399-V2401 HydrophobicContact CE3-CB 4.28Å; W2399-V2401 HydrophobicContact CE3-CG2 3.8Å; W2399-V2401 HydrophobicContact CZ3-CB 4.4Å; W2399-V2401 HydrophobicContact CZ3-CG2 3.81Å; V2401-D2403 PolarHBondContact O-N 3.01Å
2402	P	31.8	Very low	29.3	Very low	111.8 Å²	111.8	144.3 Å²	144.3	73%	0.726	78%	0.775	S	S	*	*			trans	-79.4	130.5	-176.4	4.2	5.1	0	0	0	113.1	E2404	P2402-E2404 PolarHBondContact O-N 2.92Å
2403	D	30	Very low	29.3	Very low	151.8 Å²	151.8	146.1 Å²	146.1	81%	0.812	77%	0.773	S	S	*	*			trans	-28	114.9	157.5	-61.1	-32	0	0	0	114.4	V2401 L2405	V2401-D2403 PolarHBondContact O-N 3.01Å; D2403-L2405 VanDerWaalsContact C-N 3.32Å; D2403-L2405 PolarHBondContact O-N 2.77Å; D2403-L2405 VanDerWaalsContact O-N 3.11Å
2404	E	33.2	Very low	29.3	Very low	182.6 Å²	182.6	144.6 Å²	144.6	85%	0.853	76%	0.764	S	S	*	*			trans	-61.4	118.3	158.1	-69.6	-129.6	144.5	0	0	112.2	P2402 L2406	P2402-E2404 PolarHBondContact O-N 2.92Å; E2404-L2406 VanDerWaalsContact C-N 3.32Å; E2404-L2406 PolarHBondContact O-N 2.98Å
2405	L	31.2	Very low	29.4	Very low	153.6 Å²	153.6	139.7 Å²	139.7	80%	0.804	76%	0.755	S	S	*	*			trans	-83.1	114	154.5	-79	169.1	0	0	0	112.6	D2403 L2407	D2403-L2405 VanDerWaalsContact C-N 3.32Å; D2403-L2405 PolarHBondContact O-N 2.77Å; D2403-L2405 VanDerWaalsContact O-N 3.11Å; L2405-L2407 PolarHBondContact O-N 3.07Å
2406	L	29.4	Very low	29.4	Very low	152 Å²	152	141.6 Å²	141.6	80%	0.796	75%	0.753	S	S	*	*			trans	-17.5	131.3	145.1	-76.6	170.5	0	0	0	114.2	E2404 S2408	E2404-L2406 VanDerWaalsContact C-N 3.32Å; E2404-L2406 PolarHBondContact O-N 2.98Å; L2406-S2408 VanDerWaalsContact C-N 3.28Å; L2406-S2408 PolarHBondContact O-N 3.3Å
2407	L	29.5	Very low	29.7	Very low	156.2 Å²	156.2	144.4 Å²	144.4	82%	0.818	75%	0.754	S	S	*	*			trans	-140.5	119.2	157.3	-79.6	111.7	0	0	0	112.2	L2405 S2409	L2405-L2407 PolarHBondContact O-N 3.07Å; L2407-S2409 PolarHBondContact O-N 3.11Å
2408	S	31.4	Very low	29.8	Very low	116.2 Å²	116.2	146.4 Å²	146.4	81%	0.813	76%	0.758	S	S	*	*			trans	-127.5	130	131.2	-67.1	0	0	0	0	112	L2406	L2406-S2408 VanDerWaalsContact C-N 3.28Å; L2406-S2408 PolarHBondContact O-N 3.3Å
2409	S	29.1	Very low	30	Very low	102.8 Å²	102.8	142.4 Å²	142.4	72%	0.719	75%	0.75	S	S	*	*			trans	-56.5	149.1	161.9	-63.9	0	0	0	0	112.4	L2407	L2407-S2409 PolarHBondContact O-N 3.11Å
2410	D	30.3	Very low	30.1	Very low	132 Å²	132	138.4 Å²	138.4	71%	0.706	75%	0.745	S	S	*	*				175.6	123.5	110.8	-87.7	-33.3	0	0	0	116.4
2411	Q	29.1	Very low	30.2	Very low	159.8 Å²	159.8	140.1 Å²	140.1	75%	0.747	75%	0.748	S	S	*	*				48.8	133	128.9	-67.1	-179.7	51.1	0	0	120
2412	I	27.6	Very low	30.1	Very low	136.4 Å²	136.4	139.3 Å²	139.3	70%	0.699	75%	0.748	S	S	*	*				153.4	126.5	93.6	-88.3	162.3	0	0	0	112.1	T2280 T2414	T2280-I2412 VanDerWaalsContact O-CG2 3.32Å; T2280-I2412 WeakPolarHBondContact O-CG2 3.48Å; I2412-T2414 HydrophobicContact CG2-CG2 4.26Å
2413	Q	28.9	Very low	29.8	Very low	160.6 Å²	160.6	139.1 Å²	139.1	75%	0.75	75%	0.748	S	S	*	*			trans	94.9	132.9	143	-95.2	177.3	18.1	0	0	115.8	T2280 E2281	T2280-Q2413 CarbonylContact C-O 3.58Å; T2280-Q2413 VanDerWaalsContact C-O 3.28Å; T2280-Q2413 WeakPolarHBondContact CA-O 3.47Å; E2281-Q2413 WeakPolarHBondContact CA-O 3.46Å; E2281-Q2413 WeakPolarHBondContact CB-O 3.28Å; E2281-Q2413 PolarHBondContact N-O 2.63Å
2414	T	29.8	Very low	29.8	Very low	101.4 Å²	101.4	139.1 Å²	139.1	62%	0.622	75%	0.748	S	S	*	*				178.9	137.6	120.4	30.7	0	0	0	0	113	T2280 E2281 I2412	T2280-T2414 VanDerWaalsContact CG2-O 3.32Å; T2280-T2414 WeakPolarHBondContact CG2-O 3.45Å; E2281-T2414 WeakPolarHBondContact OE1-CA 3.3Å; E2281-T2414 PolarHBondContact OE1-N 3.33Å; I2412-T2414 HydrophobicContact CG2-CG2 4.26Å
2415	N	29	Very low	29.7	Very low	118.2 Å²	118.2	137.2 Å²	137.2	63%	0.632	74%	0.744	S	S	*	*			trans	105.2	131.3	131.5	-77.5	-25.5	0	0	0	118.9	E2281	E2281-N2415 VanDerWaalsContact CD-N 3.3Å; E2281-N2415 PolarHBondContact OE1-N 3.29Å; E2281-N2415 PolarHBondContact OE2-N 3.03Å
2416	H	30.3	Very low	29.6	Very low	158.6 Å²	158.6	139.2 Å²	139.2	73%	0.734	75%	0.746	S	S	*	*				76.5	130.4	120.4	-71.5	-37	0	0	0	115.9
2417	Q	32.3	Very low	29.8	Very low	167 Å²	167	139.9 Å²	139.9	78%	0.78	75%	0.745	S	S	*	*				-175.5	131.8	78.4	-96	176.3	29.9	0	0	110.5	I2419	Q2417-I2419 HydrophobicContact CG-CD1 4.24Å
2418	N	28.5	Very low	29.8	Very low	133.4 Å²	133.4	141.4 Å²	141.4	71%	0.713	75%	0.745	S	S	*	*				91.6	120.3	118.6	-133	4.1	0	0	0	114.8
2419	I	31.4	Very low	29.7	Very low	140.2 Å²	140.2	140.9 Å²	140.9	72%	0.719	74%	0.741	S	S	*	*			trans	-141.8	129.7	150.1	-78.8	151	0	0	0	109.8	Q2417 N2421	Q2417-I2419 HydrophobicContact CG-CD1 4.24Å; I2419-N2421 PolarHBondContact O-N 2.8Å
2420	N	30.1	Very low	29.7	Very low	136.8 Å²	136.8	143 Å²	143	73%	0.732	74%	0.744	S	S	*	*			trans	-134.9	130.4	172.2	-82.1	-20.3	0	0	0	112.4
2421	N	29.6	Very low	29.6	Very low	148.6 Å²	148.6	147.1 Å²	147.1	80%	0.795	75%	0.75	S	S	*	*			trans	133.1	132.8	133.9	-81.8	-28.4	0	0	0	116.5	I2419	I2419-N2421 PolarHBondContact O-N 2.8Å
2422	S	29.1	Very low	29.7	Very low	104.6 Å²	104.6	145.3 Å²	145.3	73%	0.731	75%	0.752	S	S	*	*			trans	74.4	108.9	136.2	-163.5	0	0	0	0	115.7
2423	C	26.4	Very low	29.8	Very low	108 Å²	108	146.9 Å²	146.9	73%	0.73	76%	0.76	S	S	*	*				49.7	115.1	126.9	-54.5	0	0	0	0	116.4
2424	N	28.8	Very low	29.8	Very low	151.8 Å²	151.8	144.6 Å²	144.6	81%	0.812	76%	0.762	S	S	*	*				-166	134.9	103.9	-107.6	-24.8	0	0	0	112.7	K2426	N2424-K2426 PolarHBondContact O-N 2.94Å
2425	N	31.1	Very low	29.7	Very low	143 Å²	143	144.3 Å²	144.3	77%	0.765	77%	0.77	S	S	*	*			trans	-24.7	125.8	158.4	-71.3	-29.8	0	0	0	115.5
2426	K	30.2	Very low	29.7	Very low	196 Å²	196	142.2 Å²	142.2	85%	0.852	78%	0.776	S	S	*	*			trans	76.8	111.6	142.6	-77.9	179.4	-179.6	179.3	0	114.7	N2424 K2428	N2424-K2426 PolarHBondContact O-N 2.94Å; K2426-K2428 PolarHBondContact O-N 3.36Å
2427	E	32.8	Very low	29.5	Very low	167 Å²	167	142.2 Å²	142.2	78%	0.78	78%	0.78	S	S	*	*			trans	-115.7	144.4	146.1	-96.8	172.8	153.6	0	0	114.3
2428	K	29.1	Very low	29.5	Very low	187.8 Å²	187.8	139.4 Å²	139.4	82%	0.817	77%	0.774	S	S	*	*			trans	-60.6	99.4	166.7	-71.7	169.1	178.8	165.9	0	112.9	K2426 N2430	K2426-K2428 PolarHBondContact O-N 3.36Å; K2428-N2430 PolarHBondContact O-N 3.17Å
2429	S	29.3	Very low	29.5	Very low	104 Å²	104	141.7 Å²	141.7	73%	0.727	78%	0.778	S	S	*	*			trans	-120.5	128.3	155	102	0	0	0	0	110.2	R2431	S2429-R2431 PolarHBondContact O-N 3.28Å; S2429-R2431 VanDerWaalsContact O-N 3.13Å
2430	N	29.3	Very low	29.6	Very low	147.2 Å²	147.2	141.2 Å²	141.2	79%	0.787	78%	0.776	S	S	*	*			trans	-140.6	118.1	171.8	-90.4	-23.2	0	0	0	111.3	K2428	K2428-N2430 PolarHBondContact O-N 3.17Å
2431	R	28.9	Very low	29.7	Very low	219.6 Å²	219.6	142.2 Å²	142.2	83%	0.829	78%	0.775	S	S	*	*			trans	-57.1	137.1	156.6	-74.7	177.9	175	-157.8	-1.2	112.7	S2429 I2433	S2429-R2431 PolarHBondContact O-N 3.28Å; S2429-R2431 VanDerWaalsContact O-N 3.13Å; R2431-I2433 PolarHBondContact O-N 3.15Å
2432	P	31.9	Very low	29.7	Very low	122 Å²	122	141.2 Å²	141.2	79%	0.792	77%	0.77	S	S	*	*			trans	-81.5	149.9	164.6	29.5	-27	0	0	0	111.1	S2434	P2432-S2434 PolarHBondContact O-N 3.02Å
2433	I	28.7	Very low	29.8	Very low	169.2 Å²	169.2	139.1 Å²	139.1	87%	0.868	76%	0.764	S	S	*	*			trans	-83.5	119.1	174.7	-61.3	169.1	0	0	0	109.7	R2431	R2431-I2433 PolarHBondContact O-N 3.15Å
2434	S	28.7	Very low	30	Very low	111.2 Å²	111.2	139.8 Å²	139.8	78%	0.778	76%	0.759	S	S	*	*			trans	-123.8	119	174	-176.5	0	0	0	0	111	P2432	P2432-S2434 PolarHBondContact O-N 3.02Å
2435	A	29	Very low	30.2	Very low	95.4 Å²	95.4	138.5 Å²	138.5	79%	0.788	75%	0.751	S	S	*	*			trans	-117.3	108.7	156.3	0	0	0	0	0	113.3	I2437	A2435-I2437 PolarHBondContact O-N 3.14Å; A2435-I2437 VanDerWaalsContact O-N 3.1Å
2436	G	27.4	Very low	30.3	Very low	73.8 Å²	73.8	137 Å²	137	76%	0.761	74%	0.742	S	S	*	*			trans	-131.9	81.5	176.9	0	0	0	0	0	114.8
2437	I	28	Very low	30.3	Very low	159.2 Å²	159.2	133 Å²	133	82%	0.816	73%	0.73	S	S	*	*			trans	-78.5	99	164.9	-53.9	173.5	0	0	0	112.4	A2435	A2435-I2437 PolarHBondContact O-N 3.14Å; A2435-I2437 VanDerWaalsContact O-N 3.1Å
2438	T	31	Very low	30.3	Very low	108.4 Å²	108.4	131 Å²	131	67%	0.665	72%	0.724	S	S	*	*			trans	-154.7	108.9	157.2	16.1	0	0	0	0	113.3	N2440 F2441	T2438-N2440 PolarHBondContact O-N 3.26Å; T2438-F2441 HydrophobicContact CG2-CD2 4.14Å; T2438-F2441 PolarHBondContact O-N 2.79Å
2439	K	29.6	Very low	30.5	Very low	181.4 Å²	181.4	127.6 Å²	127.6	79%	0.789	71%	0.714	S	S	*	*			trans	-89.9	84.7	167.8	-79.2	-173.8	174.7	-175.1	0	115.8	F2441 D2442	K2439-F2441 HydrophobicContact CB-CE2 4.48Å; K2439-F2441 PolarHBondContact O-N 3.09Å; K2439-D2442 WeakPolarHBondContact CA-OD2 3.49Å
2440	N	32.2	Very low	30.6	Very low	129.2 Å²	129.2	128.4 Å²	128.4	69%	0.691	71%	0.71	S	S	*	*			trans	-115.3	79.6	167	-63.7	7	0	0	0	114.5	T2438	T2438-N2440 PolarHBondContact O-N 3.26Å
2441	F	31.7	Very low	30.7	Very low	158.6 Å²	158.6	129.6 Å²	129.6	70%	0.696	71%	0.708	S	S	*	*			trans	-85.4	84.8	159.6	-83.4	-83.2	0	0	0	114.8	T2438 K2439 G2443 I2444	T2438-F2441 HydrophobicContact CG2-CD2 4.14Å; T2438-F2441 PolarHBondContact O-N 2.79Å; K2439-F2441 HydrophobicContact CB-CE2 4.48Å; K2439-F2441 PolarHBondContact O-N 3.09Å; F2441-G2443 PolarHBondContact O-N 3.09Å; F2441-I2444 HydrophobicContact CD1-CD1 4.06Å; F2441-I2444 HydrophobicContact CE1-CD1 4.26Å; F2441-I2444 PolarHBondContact O-N 3.02Å
2442	D	31.5	Very low	30.8	Very low	128.6 Å²	128.6	124.7 Å²	124.7	69%	0.688	71%	0.705	S	S	*	*			trans	-26.5	82.7	164.5	-62.3	-34.6	0	0	0	115.6	H1944 K2439 I2444	H1944-D2442 IonicContact CE1-OD1 3.47Å; H1944-D2442 PolarHBondContact CE1-OD1 2.93Å; H1944-D2442 VanDerWaalsContact CE1-OD1 3.28Å; H1944-D2442 IonicContact ND1-OD1 2.9Å; K2439-D2442 WeakPolarHBondContact CA-OD2 3.49Å; D2442-I2444 PolarHBondContact O-N 3.36Å
2443	G	29.6	Very low	30.8	Very low	59.6 Å²	59.6	126.2 Å²	126.2	61%	0.614	71%	0.705	S	S	*	*			trans	-93.8	80	169	0	0	0	0	0	115	F2441 I2445 N2447	F2441-G2443 PolarHBondContact O-N 3.09Å; G2443-I2445 PolarHBondContact O-N 3.47Å; G2443-N2447 WeakPolarHBondContact O-CB 3.26Å; G2443-N2447 PolarHBondContact O-N 3.48Å; G2443-N2447 PolarHBondContact O-ND2 3.49Å
2444	I	31.7	Very low	30.8	Very low	123.6 Å²	123.6	123.2 Å²	123.2	63%	0.634	70%	0.697	S	S	*	*			trans	-87.1	55.6	167.3	-61.4	177.7	0	0	0	111.8	F2441 D2442 L2446 N2447 I2448	F2441-I2444 HydrophobicContact CD1-CD1 4.06Å; F2441-I2444 HydrophobicContact CE1-CD1 4.26Å; F2441-I2444 PolarHBondContact O-N 3.02Å; D2442-I2444 PolarHBondContact O-N 3.36Å; I2444-L2446 VanDerWaalsContact C-N 3.31Å; I2444-L2446 HydrophobicContact CG2-CD2 4.49Å; I2444-L2446 HydrophobicContact CG2-CG 4.34Å; I2444-L2446 PolarHBondContact O-N 3.17Å; I2444-L2446 VanDerWaalsContact O-N 3.15Å; I2444-N2447 PolarHBondContact O-N 3.12Å; I2444-I2448 HydrophobicContact CG2-CD1 3.68Å; I2444-I2448 HydrophobicContact CG2-CG1 4.34Å; I2444-I2448 VanDerWaalsContact O-CG1 3.3Å; I2444-I2448 WeakPolarHBondContact O-CG1 3.41Å; I2444-I2448 PolarHBondContact O-N 3.31Å
2445	I	33.3	Very low	30.8	Very low	124.2 Å²	124.2	126.4 Å²	126.4	64%	0.637	70%	0.699	S	S	*	*			trans	-54.8	71.7	169.3	-55.6	176.7	0	0	0	111.8	L1680 G2443 N2447 L2449	L1680-I2445 HydrophobicContact CD1-CD1 4.35Å; L1680-I2445 HydrophobicContact CD1-CG1 4.02Å; L1680-I2445 HydrophobicContact CD1-CG2 4.44Å; G2443-I2445 PolarHBondContact O-N 3.47Å; I2445-N2447 VanDerWaalsContact C-N 3.33Å; I2445-N2447 HydrophobicContact CG2-CB 4.07Å; I2445-N2447 PolarHBondContact O-N 3.31Å; I2445-L2449 WeakPolarHBondContact O-CD1 3.32Å
2446	L	32.2	Very low	30.7	Very low	110.8 Å²	110.8	129.8 Å²	129.8	58%	0.58	70%	0.699	S	S	*	*			trans	-95.9	49	164.6	-75.1	158.3	0	0	0	111.5	S1942 I2444 I2448 L2449 N2450	S1942-L2446 VanDerWaalsContact O-CD1 3.24Å; S1942-L2446 WeakPolarHBondContact O-CD1 3.37Å; S1942-L2446 WeakPolarHBondContact O-CD2 3.28Å; I2444-L2446 VanDerWaalsContact C-N 3.31Å; I2444-L2446 HydrophobicContact CG2-CD2 4.49Å; I2444-L2446 HydrophobicContact CG2-CG 4.34Å; I2444-L2446 PolarHBondContact O-N 3.17Å; I2444-L2446 VanDerWaalsContact O-N 3.15Å; L2446-I2448 VanDerWaalsContact C-N 3.32Å; L2446-I2448 PolarHBondContact O-N 3.17Å; L2446-I2448 VanDerWaalsContact O-N 3.1Å; L2446-L2449 PolarHBondContact O-N 3.29Å; L2446-L2449 VanDerWaalsContact O-N 3.14Å; L2446-N2450 WeakPolarHBondContact O-CB 3.44Å; L2446-N2450 PolarHBondContact O-N 3.39Å; L2446-N2450 PolarHBondContact O-ND2 2.87Å
2447	N	29.7	Very low	30.7	Very low	112.4 Å²	112.4	131.2 Å²	131.2	60%	0.601	70%	0.697	S	S	*	*			trans	-71	50.6	166.9	-148.4	11.4	0	0	0	112.7	G2443 I2444 I2445 L2449	G2443-N2447 WeakPolarHBondContact O-CB 3.26Å; G2443-N2447 PolarHBondContact O-N 3.48Å; G2443-N2447 PolarHBondContact O-ND2 3.49Å; I2444-N2447 PolarHBondContact O-N 3.12Å; I2445-N2447 VanDerWaalsContact C-N 3.33Å; I2445-N2447 HydrophobicContact CG2-CB 4.07Å; I2445-N2447 PolarHBondContact O-N 3.31Å; N2447-L2449 VanDerWaalsContact C-N 3.29Å; N2447-L2449 PolarHBondContact O-N 3.22Å
2448	I	34	Very low	30.7	Very low	124.6 Å²	124.6	131.1 Å²	131.1	64%	0.639	70%	0.697	S	S	*	*			trans	-97.5	36.1	163.2	-74.4	175.1	0	0	0	110.3	I2444 L2446 N2450	I2444-I2448 HydrophobicContact CG2-CD1 3.68Å; I2444-I2448 HydrophobicContact CG2-CG1 4.34Å; I2444-I2448 VanDerWaalsContact O-CG1 3.3Å; I2444-I2448 WeakPolarHBondContact O-CG1 3.41Å; I2444-I2448 PolarHBondContact O-N 3.31Å; L2446-I2448 VanDerWaalsContact C-N 3.32Å; L2446-I2448 PolarHBondContact O-N 3.17Å; L2446-I2448 VanDerWaalsContact O-N 3.1Å; I2448-N2450 PolarHBondContact O-N 3.15Å
2449	L	32.5	Very low	30.4	Very low	117.2 Å²	117.2	130.6 Å²	130.6	61%	0.614	70%	0.698	S	S	*	*			trans	-83.6	67	173.7	-76.5	152.2	0	0	0	113.3	I2445 L2446 N2447 K2451	I2445-L2449 WeakPolarHBondContact O-CD1 3.32Å; L2446-L2449 PolarHBondContact O-N 3.29Å; L2446-L2449 VanDerWaalsContact O-N 3.14Å; N2447-L2449 VanDerWaalsContact C-N 3.29Å; N2447-L2449 PolarHBondContact O-N 3.22Å; L2449-K2451 PolarHBondContact O-N 3.49Å
2450	N	32.6	Very low	30.3	Very low	119.2 Å²	119.2	126.4 Å²	126.4	64%	0.637	69%	0.692	S	S	*	*			trans	-123.6	74	-179.3	-82.8	-22.3	0	0	0	113.9	L2446 I2448 P2452	L2446-N2450 WeakPolarHBondContact O-CB 3.44Å; L2446-N2450 PolarHBondContact O-N 3.39Å; L2446-N2450 PolarHBondContact O-ND2 2.87Å; I2448-N2450 PolarHBondContact O-N 3.15Å; N2450-P2452 VanDerWaalsContact O-CD 3.3Å; N2450-P2452 WeakPolarHBondContact O-CD 3.43Å
2451	K	29.6	Very low	30	Very low	173.6 Å²	173.6	125.5 Å²	125.5	76%	0.755	70%	0.696	S	S	*	*			trans	-75	127.9	156.4	-72.6	-178	179.6	179.4	0	112.6	L2449 L2453	L2449-K2451 PolarHBondContact O-N 3.49Å; K2451-L2453 PolarHBondContact O-N 3.12Å
2452	P	31.7	Very low	29.7	Very low	117.4 Å²	117.4	123.5 Å²	123.5	76%	0.762	70%	0.702	S	S	*	*			trans	-92.7	147.7	161.9	30.6	-25.5	0	0	0	112.3	N2450 P2454	N2450-P2452 VanDerWaalsContact O-CD 3.3Å; N2450-P2452 WeakPolarHBondContact O-CD 3.43Å; P2452-P2454 WeakPolarHBondContact O-CD 3.39Å
2453	L	31.8	Very low	29.6	Very low	152.8 Å²	152.8	122.4 Å²	122.4	80%	0.8	70%	0.704	S	S	*	*			trans	-82.2	140.3	160.2	-105.4	73.6	0	0	0	109.1	K2451 E2455	K2451-L2453 PolarHBondContact O-N 3.12Å; L2453-E2455 PolarHBondContact O-N 2.95Å
2454	P	29.8	Very low	29.6	Very low	105.8 Å²	105.8	128.5 Å²	128.5	69%	0.687	71%	0.713	S	S	*	*			trans	-92.4	134.5	165.6	25.9	-20	0	0	0	112.6	P2452 Q2456	P2452-P2454 WeakPolarHBondContact O-CD 3.39Å; P2454-Q2456 PolarHBondContact O-N 3.48Å
2455	E	27.3	Very low	29.4	Very low	178.4 Å²	178.4	128.8 Å²	128.8	83%	0.834	72%	0.716	S	S	*	*			trans	-26.9	119.9	157.7	-63.9	-174.2	153.6	0	0	114.7	L2453 S2457	L2453-E2455 PolarHBondContact O-N 2.95Å; E2455-S2457 PolarHBondContact O-N 3.42Å
2456	Q	28.2	Very low	29.2	Very low	166.4 Å²	166.4	130.7 Å²	130.7	78%	0.778	73%	0.726	S	S	*	*			trans	-126.6	117.3	152	-86.5	-177.9	39	0	0	110.8	P2454 L2458	P2454-Q2456 PolarHBondContact O-N 3.48Å; Q2456-L2458 PolarHBondContact O-N 3.12Å
2457	S	27.4	Very low	29	Very low	102.8 Å²	102.8	128.6 Å²	128.6	72%	0.719	73%	0.731	S	S	*	*			trans	42.7	95.9	152.5	51.3	0	0	0	0	114.9	E2455 S2459	E2455-S2457 PolarHBondContact O-N 3.42Å; S2457-S2459 PolarHBondContact O-N 3.26Å
2458	L	26.7	Very low	29	Very low	158 Å²	158	128.4 Å²	128.4	83%	0.827	74%	0.739	S	S	*	*			trans	-46.1	95.4	138.8	-79.7	166.6	0	0	0	112.5	Q2456 S2460	Q2456-L2458 PolarHBondContact O-N 3.12Å; L2458-S2460 PolarHBondContact O-N 3.03Å
2459	S	25.3	Very low	28.8	Very low	97.2 Å²	97.2	130.2 Å²	130.2	68%	0.68	75%	0.749	S	S	*	*			trans	-122.9	127.1	144.1	-16.4	0	0	0	0	111.9	S2234 S2457	S2234-S2459 WeakPolarHBondContact O-CB 3.33Å; S2234-S2459 PolarHBondContact OG-OG 3.3Å; S2457-S2459 PolarHBondContact O-N 3.26Å
2460	S	26.6	Very low	28.6	Very low	94 Å²	94	128 Å²	128	66%	0.657	76%	0.756	S	S	*	*			trans	-173.6	128	148.4	15	0	0	0	0	115	L2236 L2458	L2236-S2460 WeakPolarHBondContact CD1-O 3.5Å; L2236-S2460 WeakPolarHBondContact CG-OG 3.25Å; L2236-S2460 PolarHBondContact N-OG 2.96Å; L2458-S2460 PolarHBondContact O-N 3.03Å
2461	S	25.9	Very low	28.5	Very low	111.2 Å²	111.2	130.8 Å²	130.8	78%	0.778	77%	0.765	S	S	*	*			trans	100.5	118.1	135.3	-80.7	0	0	0	0	118.1	L2236	L2236-S2461 WeakPolarHBondContact CD1-O 3.43Å
2462	S	26.5	Very low	28.4	Very low	116.4 Å²	116.4	130.5 Å²	130.5	81%	0.814	77%	0.765	S	S	*	*			trans	113.8	128.1	141.9	169	0	0	0	0	115.3
2463	S	29.2	Very low	28.3	Very low	105.4 Å²	105.4	132.5 Å²	132.5	74%	0.737	77%	0.765	S	S	*	*			cis	-153.8	135	30.4	61.9	0	0	0	0	112.5
2464	K	28.9	Very low	28	Very low	186.8 Å²	186.8	134 Å²	134	81%	0.812	77%	0.768	S	S	*	*			trans	62.7	139.5	160.7	-88.9	179.8	178.7	177.4	0	114
2465	N	28.9	Very low	28	Very low	130.2 Å²	130.2	137.8 Å²	137.8	70%	0.696	78%	0.775	S	S	*	*			cis	173.6	135.3	34.8	-89.3	-8.2	0	0	0	113.4	G2467	N2465-G2467 PolarHBondContact O-N 3.19Å
2466	I	29	Very low	28	Very low	164 Å²	164	139.8 Å²	139.8	84%	0.841	78%	0.775	S	S	*	*				57	118.6	129.5	-56.4	164.8	0	0	0	114.3
2467	G	28.1	Very low	28.2	Very low	66.6 Å²	66.6	137.1 Å²	137.1	69%	0.687	77%	0.772	S	S	*	*			trans	179.8	113.1	140.5	0	0	0	0	0	113.1	N2465 D2469	N2465-G2467 PolarHBondContact O-N 3.19Å; G2467-D2469 PolarHBondContact O-N 3.49Å
2468	S	28.3	Very low	28.4	Very low	109.4 Å²	109.4	139.3 Å²	139.3	77%	0.765	78%	0.775	S	S	*	*			trans	-167.4	120.1	135.8	61.3	0	0	0	0	112.6	G2470	S2468-G2470 PolarHBondContact O-N 3.39Å
2469	D	31.6	Very low	28.6	Very low	160.8 Å²	160.8	136.7 Å²	136.7	86%	0.86	77%	0.769	S	S	*	*			trans	-164.5	140.9	137.9	-83.9	-23.2	0	0	0	111.4	G2467 Q2471	G2467-D2469 PolarHBondContact O-N 3.49Å; D2469-Q2471 PolarHBondContact O-N 3Å
2470	G	28.1	Very low	28.7	Very low	71.8 Å²	71.8	138.9 Å²	138.9	74%	0.74	77%	0.773	S	S	*	*			trans	90.2	88	162.3	0	0	0	0	0	115.9	S2468 H2472	S2468-G2470 PolarHBondContact O-N 3.39Å; G2470-H2472 PolarHBondContact O-N 2.87Å
2471	Q	28.7	Very low	28.9	Very low	178.2 Å²	178.2	139.2 Å²	139.2	83%	0.833	78%	0.775	S	S	*	*			trans	-43.8	121.3	152.3	-66.4	-160	-0.8	0	0	115.1	D2469	D2469-Q2471 PolarHBondContact O-N 3Å
2472	H	28.6	Very low	29.4	Very low	166 Å²	166	138 Å²	138	77%	0.769	77%	0.767	S	S	*	*			trans	25.7	127.4	143.2	-75.9	-76.2	0	0	0	117	G2470 H2474	G2470-H2472 PolarHBondContact O-N 2.87Å; H2472-H2474 PolarHBondContact O-N 3.45Å
2473	Q	29.1	Very low	29.9	Very low	160.2 Å²	160.2	137.6 Å²	137.6	75%	0.749	76%	0.759	S	S	*	*			trans	88.2	123.6	141.9	-68.3	-145.4	-2.8	0	0	115.4	H2475	Q2473-H2475 PolarHBondContact O-N 2.83Å
2474	H	26.2	Very low	30.3	Very low	185 Å²	185	137.1 Å²	137.1	86%	0.856	75%	0.749	S	S	*	*			trans	-69.5	106.1	152.5	-72.6	-78.8	0	0	0	112.2	H2472 R2476	H2472-H2474 PolarHBondContact O-N 3.45Å; H2474-R2476 VanDerWaalsContact C-N 3.31Å; H2474-R2476 PolarHBondContact O-N 2.96Å; H2474-R2476 VanDerWaalsContact O-N 3.12Å
2475	H	30.4	Very low	30.7	Very low	184.2 Å²	184.2	132.6 Å²	132.6	85%	0.853	74%	0.74	S	S	*	*			trans	-95.7	125	150.2	-89.3	-69.4	0	0	0	110.3	Q2473 P2477	Q2473-H2475 PolarHBondContact O-N 2.83Å; H2475-P2477 WeakPolarHBondContact O-CD 3.29Å
2476	R	27.1	Very low	31	Very low	220.2 Å²	220.2	133.9 Å²	133.9	83%	0.831	74%	0.74	S	S	*	*			trans	-66.9	133.6	171.3	-143.5	-179.3	-173	-165.5	1.9	108.8	H2474 I2478	H2474-R2476 VanDerWaalsContact C-N 3.31Å; H2474-R2476 PolarHBondContact O-N 2.96Å; H2474-R2476 VanDerWaalsContact O-N 3.12Å; R2476-I2478 PolarHBondContact O-N 3.04Å
2477	P	31.4	Very low	31.5	Very low	109.8 Å²	109.8	131.5 Å²	131.5	71%	0.713	73%	0.728	S	S	*	*			trans	-76.2	137	163.8	27.9	-27.9	0	0	0	110.5	H2475 S2479	H2475-P2477 WeakPolarHBondContact O-CD 3.29Å; P2477-S2479 VanDerWaalsContact C-N 3.31Å; P2477-S2479 PolarHBondContact O-N 3.16Å; P2477-S2479 VanDerWaalsContact O-N 3.13Å
2478	I	31.5	Very low	32.1	Very low	150.2 Å²	150.2	131.7 Å²	131.7	77%	0.77	72%	0.723	S	S	*	*			trans	-55.6	121.7	166.9	-67.7	170	0	0	0	109.7	R2476 L2480	R2476-I2478 PolarHBondContact O-N 3.04Å; I2478-L2480 VanDerWaalsContact C-N 3.28Å; I2478-L2480 HydrophobicContact CG2-CD2 4.17Å; I2478-L2480 HydrophobicContact CG2-CG 4.23Å; I2478-L2480 PolarHBondContact O-N 3.07Å; I2478-L2480 VanDerWaalsContact O-N 3.15Å
2479	S	30.6	Very low	32.4	Very low	102.4 Å²	102.4	129.1 Å²	129.1	72%	0.716	71%	0.708	S	S	*	*			trans	-82.9	106.7	171.4	-16.2	0	0	0	0	110	P2477 S2481	P2477-S2479 VanDerWaalsContact C-N 3.31Å; P2477-S2479 PolarHBondContact O-N 3.16Å; P2477-S2479 VanDerWaalsContact O-N 3.13Å; S2479-S2481 PolarHBondContact O-N 3.34Å; S2479-S2481 VanDerWaalsContact O-N 3.12Å
2480	L	28.7	Very low	32.7	Very low	144.8 Å²	144.8	127.7 Å²	127.7	76%	0.758	70%	0.697	S	S	*	*			trans	-54.9	107	164.2	-65.4	174.7	0	0	0	110.7	I2478 D2484	I2478-L2480 VanDerWaalsContact C-N 3.28Å; I2478-L2480 HydrophobicContact CG2-CD2 4.17Å; I2478-L2480 HydrophobicContact CG2-CG 4.23Å; I2478-L2480 PolarHBondContact O-N 3.07Å; I2478-L2480 VanDerWaalsContact O-N 3.15Å; L2480-D2484 HydrophobicContact CB-CB 3.81Å; L2480-D2484 WeakPolarHBondContact CB-OD2 3.43Å; L2480-D2484 HydrophobicContact CD1-CB 3.74Å; L2480-D2484 WeakPolarHBondContact CD2-OD2 3.25Å; L2480-D2484 HydrophobicContact CG-CB 4.28Å
2481	S	30.6	Very low	33.1	Very low	98.6 Å²	98.6	134.2 Å²	134.2	69%	0.69	70%	0.699	S	S	*	*			trans	-107.6	117.1	164.4	74.9	0	0	0	0	110.5	S2479 T2483 D2484	S2479-S2481 PolarHBondContact O-N 3.34Å; S2479-S2481 VanDerWaalsContact O-N 3.12Å; S2481-T2483 PolarHBondContact O-N 3.23Å; S2481-T2483 PolarHBondContact OG-OG1 3.34Å; S2481-T2483 VanDerWaalsContact OG-OG1 3.12Å; S2481-D2484 PolarHBondContact O-N 2.95Å
2482	S	35.1	Very low	33.6	Very low	87.4 Å²	87.4	129.5 Å²	129.5	61%	0.611	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	125.6	175.9	55	0	0	0	0	113.8	D2484 S2485 F2486	S2482-D2484 VanDerWaalsContact C-N 3.27Å; S2482-D2484 WeakPolarHBondContact CB-OD2 3.49Å; S2482-D2484 PolarHBondContact O-N 3.28Å; S2482-D2484 PolarHBondContact OG-OD2 2.9Å; S2482-S2485 WeakPolarHBondContact O-CB 3.46Å; S2482-S2485 PolarHBondContact O-N 2.77Å; S2482-F2486 VanDerWaalsContact O-CD2 3.24Å; S2482-F2486 WeakPolarHBondContact O-CD2 3.5Å
2483	T	38.6	Very low	33.8	Very low	108 Å²	108	126.4 Å²	126.4	66%	0.663	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-20	173.9	4	0	0	0	0	113.1	S2481 S2485 F2486 L2487	S2481-T2483 PolarHBondContact O-N 3.23Å; S2481-T2483 PolarHBondContact OG-OG1 3.34Å; S2481-T2483 VanDerWaalsContact OG-OG1 3.12Å; T2483-S2485 VanDerWaalsContact C-N 3.31Å; T2483-S2485 PolarHBondContact O-N 3Å; T2483-F2486 WeakPolarHBondContact O-CA 3.11Å; T2483-F2486 VanDerWaalsContact O-CB 3.26Å; T2483-F2486 WeakPolarHBondContact O-CB 3.42Å; T2483-F2486 PolarHBondContact O-N 2.96Å; T2483-L2487 PolarHBondContact O-N 3.02Å
2484	D	36.6	Very low	34	Very low	95.4 Å²	95.4	122.3 Å²	122.3	51%	0.51	68%	0.68	S	S	.	*	H	α-helix	trans	-91.2	-18.5	-176.8	-67	-37.3	0	0	0	113.6	L2480 S2481 S2482 F2486 L2487 A2488	L2480-D2484 HydrophobicContact CB-CB 3.81Å; L2480-D2484 WeakPolarHBondContact CB-OD2 3.43Å; L2480-D2484 HydrophobicContact CD1-CB 3.74Å; L2480-D2484 WeakPolarHBondContact CD2-OD2 3.25Å; L2480-D2484 HydrophobicContact CG-CB 4.28Å; S2481-D2484 PolarHBondContact O-N 2.95Å; S2482-D2484 VanDerWaalsContact C-N 3.27Å; S2482-D2484 WeakPolarHBondContact CB-OD2 3.49Å; S2482-D2484 PolarHBondContact O-N 3.28Å; S2482-D2484 PolarHBondContact OG-OD2 2.9Å; D2484-F2486 PolarHBondContact O-N 3.13Å; D2484-F2486 VanDerWaalsContact O-N 3.08Å; D2484-L2487 PolarHBondContact O-N 3.04Å; D2484-L2487 VanDerWaalsContact O-N 3.15Å; D2484-A2488 VanDerWaalsContact O-CB 3.26Å; D2484-A2488 WeakPolarHBondContact O-CB 3.41Å; D2484-A2488 PolarHBondContact O-N 2.97Å
2485	S	36.8	Very low	34.2	Very low	90.4 Å²	90.4	123.4 Å²	123.4	63%	0.632	68%	0.678	S	S	*	*	H	α-helix	trans	-69.2	-15.2	177.1	-60	0	0	0	0	114	S2482 T2483 A2488 A2489	S2482-S2485 WeakPolarHBondContact O-CB 3.46Å; S2482-S2485 PolarHBondContact O-N 2.77Å; T2483-S2485 VanDerWaalsContact C-N 3.31Å; T2483-S2485 PolarHBondContact O-N 3Å; S2485-A2488 PolarHBondContact O-N 3.1Å; S2485-A2489 WeakPolarHBondContact O-CB 3.32Å; S2485-A2489 PolarHBondContact O-N 3.15Å
2486	F	35.1	Very low	34.4	Very low	159 Å²	159	118.7 Å²	118.7	70%	0.697	67%	0.671	S	S	*	*	H	α-helix	trans	-81	-40.5	176.5	-100.6	-87.1	0	0	0	112.2	S2482 T2483 D2484 A2488 A2489 E2490	S2482-F2486 VanDerWaalsContact O-CD2 3.24Å; S2482-F2486 WeakPolarHBondContact O-CD2 3.5Å; T2483-F2486 WeakPolarHBondContact O-CA 3.11Å; T2483-F2486 VanDerWaalsContact O-CB 3.26Å; T2483-F2486 WeakPolarHBondContact O-CB 3.42Å; T2483-F2486 PolarHBondContact O-N 2.96Å; D2484-F2486 PolarHBondContact O-N 3.13Å; D2484-F2486 VanDerWaalsContact O-N 3.08Å; F2486-A2488 VanDerWaalsContact C-N 3.32Å; F2486-A2488 PolarHBondContact O-N 3.03Å; F2486-A2488 VanDerWaalsContact O-N 3.08Å; F2486-A2489 PolarHBondContact O-N 3.15Å; F2486-E2490 WeakPolarHBondContact O-CB 3.46Å; F2486-E2490 PolarHBondContact O-N 3.12Å
2487	L	40.3	Very low	34.6	Very low	113.2 Å²	113.2	114 Å²	114	59%	0.593	67%	0.667	S	S	*	*	H	α-helix	trans	-72.2	-19.8	-179.6	-74.8	169.1	0	0	0	113.6	T2483 D2484 R2491	T2483-L2487 PolarHBondContact O-N 3.02Å; D2484-L2487 PolarHBondContact O-N 3.04Å; D2484-L2487 VanDerWaalsContact O-N 3.15Å; L2487-R2491 WeakPolarHBondContact O-CB 3.44Å; L2487-R2491 WeakPolarHBondContact O-CG 3.33Å; L2487-R2491 PolarHBondContact O-N 3.16Å
2488	A	40.4	Very low	34.6	Very low	70.8 Å²	70.8	116.4 Å²	116.4	59%	0.585	67%	0.673	S	S	*	*	H	α-helix	trans	-79.5	-33.8	173.2	0	0	0	0	0	112.5	D2484 S2485 F2486 R2491 A2492	D2484-A2488 VanDerWaalsContact O-CB 3.26Å; D2484-A2488 WeakPolarHBondContact O-CB 3.41Å; D2484-A2488 PolarHBondContact O-N 2.97Å; S2485-A2488 PolarHBondContact O-N 3.1Å; F2486-A2488 VanDerWaalsContact C-N 3.32Å; F2486-A2488 PolarHBondContact O-N 3.03Å; F2486-A2488 VanDerWaalsContact O-N 3.08Å; A2488-R2491 PolarHBondContact O-N 3.02Å; A2488-A2492 VanDerWaalsContact O-CB 3.23Å; A2488-A2492 WeakPolarHBondContact O-CB 3.46Å; A2488-A2492 PolarHBondContact O-N 3.29Å; A2488-A2492 VanDerWaalsContact O-N 3.11Å
2489	A	35.9	Very low	34.6	Very low	54 Å²	54	112.4 Å²	112.4	45%	0.446	67%	0.67	S	S	.	*	H	α-helix	trans	-74	-35.8	177.9	0	0	0	0	0	112.7	S2485 F2486 R2491 A2492 C2493	S2485-A2489 WeakPolarHBondContact O-CB 3.32Å; S2485-A2489 PolarHBondContact O-N 3.15Å; F2486-A2489 PolarHBondContact O-N 3.15Å; A2489-R2491 PolarHBondContact O-N 3Å; A2489-A2492 CarbonylContact O-C 3.18Å; A2489-A2492 WeakPolarHBondContact O-CA 3.24Å; A2489-A2492 WeakPolarHBondContact O-CB 3.25Å; A2489-A2492 PolarHBondContact O-N 3.11Å; A2489-C2493 PolarHBondContact O-N 3.02Å; A2489-C2493 PolarHBondContact O-SG 3.04Å; A2489-C2493 VanDerWaalsContact O-SG 3.33Å
2490	E	37.5	Very low	34.6	Very low	131.6 Å²	131.6	115.4 Å²	115.4	62%	0.615	68%	0.678	S	S	*	*	H	α-helix	trans	-70.3	-24.5	-179.8	-128	174	-160.8	0	0	112.8	F2486 A2492 C2493 A2494	F2486-E2490 WeakPolarHBondContact O-CB 3.46Å; F2486-E2490 PolarHBondContact O-N 3.12Å; E2490-A2492 PolarHBondContact O-N 3.2Å; E2490-C2493 PolarHBondContact O-N 3.16Å; E2490-A2494 WeakPolarHBondContact O-CB 3.37Å; E2490-A2494 PolarHBondContact O-N 3.08Å
2491	R	36.8	Very low	34.9	Very low	208.6 Å²	208.6	117.5 Å²	117.5	79%	0.787	68%	0.684	S	S	*	*	H	α-helix	trans	-81.8	-18.6	172.1	-76.8	-172.8	176.9	178.4	0.9	113.8	L2487 A2488 A2489 C2493 A2494 Y2495	L2487-R2491 WeakPolarHBondContact O-CB 3.44Å; L2487-R2491 WeakPolarHBondContact O-CG 3.33Å; L2487-R2491 PolarHBondContact O-N 3.16Å; A2488-R2491 PolarHBondContact O-N 3.02Å; A2489-R2491 PolarHBondContact O-N 3Å; R2491-C2493 VanDerWaalsContact C-N 3.28Å; R2491-C2493 PolarHBondContact O-N 3.28Å; R2491-A2494 PolarHBondContact O-N 2.93Å; R2491-A2494 VanDerWaalsContact O-N 3.07Å; R2491-Y2495 VanDerWaalsContact O-CD2 3.31Å; R2491-Y2495 WeakPolarHBondContact O-CD2 3.49Å; R2491-Y2495 PolarHBondContact O-N 2.88Å
2492	A	37.5	Very low	34.9	Very low	78.8 Å²	78.8	119.5 Å²	119.5	65%	0.651	69%	0.687	S	S	*	*	H	α-helix	trans	-86	-19.7	175.6	0	0	0	0	0	113.2	A2488 A2489 E2490	A2488-A2492 VanDerWaalsContact O-CB 3.23Å; A2488-A2492 WeakPolarHBondContact O-CB 3.46Å; A2488-A2492 PolarHBondContact O-N 3.29Å; A2488-A2492 VanDerWaalsContact O-N 3.11Å; A2489-A2492 CarbonylContact O-C 3.18Å; A2489-A2492 WeakPolarHBondContact O-CA 3.24Å; A2489-A2492 WeakPolarHBondContact O-CB 3.25Å; A2489-A2492 PolarHBondContact O-N 3.11Å; E2490-A2492 PolarHBondContact O-N 3.2Å
2493	C	34.1	Very low	34.8	Very low	102.8 Å²	102.8	121.6 Å²	121.6	70%	0.695	70%	0.696	S	S	*	*	H	α-helix	trans	-99.1	3.2	176.3	-64.6	0	0	0	0	113	A2489 E2490 R2491 Y2495	A2489-C2493 PolarHBondContact O-N 3.02Å; A2489-C2493 PolarHBondContact O-SG 3.04Å; A2489-C2493 VanDerWaalsContact O-SG 3.33Å; E2490-C2493 PolarHBondContact O-N 3.16Å; R2491-C2493 VanDerWaalsContact C-N 3.28Å; R2491-C2493 PolarHBondContact O-N 3.28Å; C2493-Y2495 PolarHBondContact O-N 3.16Å; C2493-Y2495 VanDerWaalsContact O-N 3.08Å
2494	A	32	Very low	34.5	Very low	73 Å²	73	121.9 Å²	121.9	60%	0.603	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	20.1	177	0	0	0	0	0	112.4	E2490 R2491 A2496 T2497	E2490-A2494 WeakPolarHBondContact O-CB 3.37Å; E2490-A2494 PolarHBondContact O-N 3.08Å; R2491-A2494 PolarHBondContact O-N 2.93Å; R2491-A2494 VanDerWaalsContact O-N 3.07Å; A2494-A2496 PolarHBondContact O-N 3.26Å; A2494-T2497 PolarHBondContact O-OG1 2.84Å
2495	Y	32.2	Very low	34.3	Very low	208.8 Å²	208.8	123 Å²	123	82%	0.819	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	55.5	175.1	-83	-78.7	0	0	0	112.6	R2491 C2493 D2498	R2491-Y2495 VanDerWaalsContact O-CD2 3.31Å; R2491-Y2495 WeakPolarHBondContact O-CD2 3.49Å; R2491-Y2495 PolarHBondContact O-N 2.88Å; C2493-Y2495 PolarHBondContact O-N 3.16Å; C2493-Y2495 VanDerWaalsContact O-N 3.08Å; Y2495-D2498 WeakPolarHBondContact CD1-OD1 3.36Å
2496	A	32.9	Very low	33.9	Very low	85.8 Å²	85.8	125.4 Å²	125.4	71%	0.709	71%	0.714	S	S	*	*	S	Bend	trans	-120	38.5	177.8	0	0	0	0	0	113.2	A2494	A2494-A2496 PolarHBondContact O-N 3.26Å
2497	T	32.7	Very low	33.7	Very low	121 Å²	121	124.5 Å²	124.5	74%	0.742	72%	0.722	S	S	*	*			trans	-150.2	73.3	177.4	39.5	0	0	0	0	111.2	A2494 G2499	A2494-T2497 PolarHBondContact O-OG1 2.84Å; T2497-G2499 PolarHBondContact O-N 2.88Å
2498	D	31.3	Very low	33.2	Very low	159 Å²	159	123.6 Å²	123.6	85%	0.85	72%	0.721	S	S	*	*			trans	-140.9	112.5	155.3	-78.4	-27.1	0	0	0	108.6	Y2495	Y2495-D2498 WeakPolarHBondContact CD1-OD1 3.36Å
2499	G	30.1	Very low	32.8	Very low	67.6 Å²	67.6	129.9 Å²	129.9	70%	0.697	73%	0.731	S	S	*	*			trans	-166.8	81.4	-176.2	0	0	0	0	0	114	T2497 E2501	T2497-G2499 PolarHBondContact O-N 2.88Å; G2499-E2501 VanDerWaalsContact C-N 3.26Å; G2499-E2501 PolarHBondContact O-N 3.06Å
2500	D	32.1	Very low	32.5	Very low	165.2 Å²	165.2	134.1 Å²	134.1	88%	0.883	75%	0.746	S	S	*	*			trans	28.6	96.9	161.8	-66.1	-36.2	0	0	0	113.9	D2502	D2500-D2502 VanDerWaalsContact C-N 3.35Å; D2500-D2502 PolarHBondContact O-N 2.99Å
2501	E	34.4	Very low	32.1	Very low	189.4 Å²	189.4	134 Å²	134	89%	0.885	75%	0.754	S	S	*	*			trans	-112.1	128.2	146.6	-94.3	-162.9	166.5	0	0	110.8	G2499 T2503	G2499-E2501 VanDerWaalsContact C-N 3.26Å; G2499-E2501 PolarHBondContact O-N 3.06Å; E2501-T2503 PolarHBondContact O-N 3.18Å
2502	D	30.8	Very low	31.8	Very low	139 Å²	139	128 Å²	128	74%	0.743	75%	0.75	S	S	*	*			trans	-75.9	120.2	175.6	-92.1	-49.4	0	0	0	112.6	D2500 T2504	D2500-D2502 VanDerWaalsContact C-N 3.35Å; D2500-D2502 PolarHBondContact O-N 2.99Å; D2502-T2504 HydrophobicContact CB-CG2 4.41Å; D2502-T2504 PolarHBondContact O-N 3.17Å; D2502-T2504 PolarHBondContact O-OG1 2.79Å; D2502-T2504 WeakPolarHBondContact OD1-CG2 3.33Å
2503	T	33.5	Very low	31.5	Very low	131.4 Å²	131.4	130.3 Å²	130.3	81%	0.806	76%	0.756	S	S	*	*			trans	-121.1	82.9	147.6	12.6	0	0	0	0	111.8	E2501 T2505	E2501-T2503 PolarHBondContact O-N 3.18Å; T2503-T2505 PolarHBondContact O-N 3.13Å
2504	T	31.4	Very low	31.3	Very low	114.2 Å²	114.2	130.9 Å²	130.9	70%	0.701	76%	0.756	S	S	*	*			trans	-70.8	121.3	163.1	48.6	0	0	0	0	112.5	D2502	D2502-T2504 HydrophobicContact CB-CG2 4.41Å; D2502-T2504 PolarHBondContact O-N 3.17Å; D2502-T2504 PolarHBondContact O-OG1 2.79Å; D2502-T2504 WeakPolarHBondContact OD1-CG2 3.33Å
2505	T	32.4	Very low	31.2	Very low	120 Å²	120	133.4 Å²	133.4	74%	0.736	76%	0.764	S	S	*	*			trans	-137.9	123.3	149	41	0	0	0	0	112.5	T2503	T2503-T2505 PolarHBondContact O-N 3.13Å
2506	N	28.2	Very low	31	Very low	139.2 Å²	139.2	129.2 Å²	129.2	74%	0.744	76%	0.761	S	S	*	*			trans	20	107.6	154.1	-65.6	-34.2	0	0	0	116.2	T2508	N2506-T2508 PolarHBondContact OD1-OG1 3.49Å
2507	T	30.3	Very low	30.8	Very low	141.6 Å²	141.6	131 Å²	131	87%	0.869	76%	0.763	S	S	*	*			trans	-136.6	126	130.5	49.4	0	0	0	0	111.1
2508	T	31.4	Very low	30.6	Very low	93.2 Å²	93.2	131.2 Å²	131.2	57%	0.572	76%	0.764	S	S	*	*			trans	-140.1	142.1	-163.1	-64.1	0	0	0	0	110.8	N2506	N2506-T2508 PolarHBondContact OD1-OG1 3.49Å
2509	Y	30.3	Very low	30.4	Very low	203.8 Å²	203.8	128.7 Å²	128.7	80%	0.799	76%	0.755	S	S	*	*			trans	79	118.2	158.6	-62.4	-58	0	0	0	116.9	T2511	Y2509-T2511 PolarHBondContact O-N 3.34Å
2510	D	29.6	Very low	30.4	Very low	143 Å²	143	135.6 Å²	135.6	77%	0.765	76%	0.761	S	S	*	*				-150.1	130.1	59.3	-124.2	-25.7	0	0	0	110.5	A2512	D2510-A2512 PolarHBondContact O-N 3.29Å
2511	T	31.1	Very low	30.2	Very low	128.2 Å²	128.2	134.6 Å²	134.6	79%	0.787	76%	0.756	S	S	*	*			trans	-122.2	114.7	166.7	-38	0	0	0	0	111.6	Y2509 T2513	Y2509-T2511 PolarHBondContact O-N 3.34Å; T2511-T2513 PolarHBondContact O-N 2.81Å
2512	A	29.7	Very low	29.8	Very low	83.6 Å²	83.6	131.4 Å²	131.4	69%	0.691	75%	0.75	S	S	*	*			trans	-103.6	138.8	175	0	0	0	0	0	110.4	D2510 T2514	D2510-A2512 PolarHBondContact O-N 3.29Å; A2512-T2514 PolarHBondContact O-OG1 3.48Å
2513	T	31.3	Very low	29.6	Very low	126.2 Å²	126.2	130.4 Å²	130.4	77%	0.774	75%	0.749	S	S	*	*			trans	-137.7	131.7	132	20.4	0	0	0	0	109.9	T2511 T2515	T2511-T2513 PolarHBondContact O-N 2.81Å; T2513-T2515 PolarHBondContact O-N 3.29Å
2514	T	29.5	Very low	29.3	Very low	115.4 Å²	115.4	132.4 Å²	132.4	71%	0.708	75%	0.751	S	S	*	*				50	112.9	129	-32.3	0	0	0	0	113.5	A2512 T2516	A2512-T2514 PolarHBondContact O-OG1 3.48Å; T2514-T2516 HydrophobicContact CG2-CG2 3.92Å
2515	T	30	Very low	29.1	Very low	126 Å²	126	132.2 Å²	132.2	77%	0.773	75%	0.754	S	S	*	*			trans	-150.2	125.6	137	9.2	0	0	0	0	113.5	T2513 T2517	T2513-T2515 PolarHBondContact O-N 3.29Å; T2515-T2517 PolarHBondContact O-N 3.04Å
2516	T	28.8	Very low	28.9	Very low	120.6 Å²	120.6	134.5 Å²	134.5	74%	0.74	76%	0.759	S	S	*	*			trans	-112.9	147	161.4	38.1	0	0	0	0	113.7	T2514	T2514-T2516 HydrophobicContact CG2-CG2 3.92Å
2517	T	28.1	Very low	29	Very low	122.8 Å²	122.8	134.8 Å²	134.8	75%	0.753	76%	0.76	S	S	*	*			trans	179	124.5	140.7	40.5	0	0	0	0	115.8	T2515	T2515-T2517 PolarHBondContact O-N 3.04Å
2518	T	29.1	Very low	29	Very low	125.6 Å²	125.6	134.7 Å²	134.7	77%	0.771	75%	0.754	S	S	*	*			trans	67.2	121.6	146.3	49.8	0	0	0	0	118.8
2519	T	26.4	Very low	28.9	Very low	106 Å²	106	138.5 Å²	138.5	65%	0.65	76%	0.763	S	S	*	*			trans	101.1	127	130.5	-36.5	0	0	0	0	115.8
2520	Y	29.1	Very low	28.9	Very low	213.8 Å²	213.8	135.8 Å²	135.8	84%	0.838	76%	0.762	S	S	*	*			trans	159.2	125	143.2	-77.1	-67.4	0	0	0	114.5
2521	N	27.9	Very low	28.8	Very low	143.4 Å²	143.4	134.1 Å²	134.1	77%	0.767	76%	0.761	S	S	*	*				177.7	142.4	126.9	-74.4	-21	0	0	0	115.1	T2523	N2521-T2523 PolarHBondContact O-N 3.27Å
2522	T	27.5	Very low	28.7	Very low	123.2 Å²	123.2	136.3 Å²	136.3	76%	0.756	76%	0.763	S	S	*	*			trans	161.7	106.8	144.4	-67.6	0	0	0	0	114.9
2523	T	26.8	Very low	28.6	Very low	117.8 Å²	117.8	139.4 Å²	139.4	72%	0.723	77%	0.768	S	S	*	*			trans	49.4	133.4	140.5	-4.2	0	0	0	0	118.4	N2521 S2525	N2521-T2523 PolarHBondContact O-N 3.27Å; T2523-S2525 PolarHBondContact O-N 3.48Å
2524	M	26.9	Very low	28.5	Very low	172.4 Å²	172.4	139.4 Å²	139.4	85%	0.849	77%	0.768	S	S	*	*			trans	131	132.3	144.2	-79.1	-65.1	-179.6	0	0	112.8	M2526	M2524-M2526 VanDerWaalsContact C-N 3.34Å; M2524-M2526 PolarHBondContact O-N 3.08Å
2525	S	26.4	Very low	28.4	Very low	110.2 Å²	110.2	140.2 Å²	140.2	77%	0.771	77%	0.773	S	S	*	*			trans	-127.8	134.9	168.7	-176.2	0	0	0	0	110.3	T2523 N2527	T2523-S2525 PolarHBondContact O-N 3.48Å; S2525-N2527 PolarHBondContact O-N 3.47Å
2526	M	28.9	Very low	28.1	Very low	169 Å²	169	139.5 Å²	139.5	83%	0.833	77%	0.772	S	S	*	*			trans	-119.5	150.1	169	-90.1	-84.2	-175.6	0	0	110.8	M2524 N2528	M2524-M2526 VanDerWaalsContact C-N 3.34Å; M2524-M2526 PolarHBondContact O-N 3.08Å; M2526-N2528 PolarHBondContact O-N 3.1Å
2527	N	29.7	Very low	28.2	Very low	144.2 Å²	144.2	139.6 Å²	139.6	77%	0.771	78%	0.775	S	S	*	*			trans	-58.2	137.5	169.1	-85.6	-47.4	0	0	0	114.6	S2525	S2525-N2527 PolarHBondContact O-N 3.47Å
2528	N	30.7	Very low	28.1	Very low	139.8 Å²	139.8	141.4 Å²	141.4	75%	0.748	78%	0.778	S	S	*	*			trans	-133.9	148.2	-171.3	-135.8	-25	0	0	0	113.4	M2526 N2530	M2526-N2528 PolarHBondContact O-N 3.1Å; N2528-N2530 PolarHBondContact O-N 3.4Å
2529	K	30.1	Very low	28.1	Very low	174.4 Å²	174.4	140.5 Å²	140.5	76%	0.758	78%	0.776	S	S	*	*			trans	-34.5	129.3	165.2	-68.6	164.3	-177	174.9	0	115	S2531	K2529-S2531 PolarHBondContact O-N 3.48Å
2530	N	28.6	Very low	28.2	Very low	146 Å²	146	141.8 Å²	141.8	78%	0.781	78%	0.78	S	S	*	*				108.9	119.5	125.2	-105.1	6.4	0	0	0	116.6	N2528 Q2532	N2528-N2530 PolarHBondContact O-N 3.4Å; N2530-Q2532 VanDerWaalsContact C-N 3.32Å; N2530-Q2532 PolarHBondContact O-N 3.04Å
2531	S	28.1	Very low	28.2	Very low	106.6 Å²	106.6	139.7 Å²	139.7	75%	0.745	78%	0.781	S	S	*	*			trans	-138.5	121.5	153.2	67.9	0	0	0	0	110.5	K2529 N2533	K2529-S2531 PolarHBondContact O-N 3.48Å; S2531-N2533 PolarHBondContact O-N 2.9Å
2532	Q	30	Very low	28.1	Very low	175.8 Å²	175.8	138.1 Å²	138.1	82%	0.821	78%	0.78	S	S	*	*			trans	-80.5	113	149.3	-73.9	-153.1	2	0	0	111.5	N2530 T2534	N2530-Q2532 VanDerWaalsContact C-N 3.32Å; N2530-Q2532 PolarHBondContact O-N 3.04Å; Q2532-T2534 PolarHBondContact O-N 2.76Å; Q2532-T2534 VanDerWaalsContact O-N 3.11Å
2533	N	26.3	Very low	28	Very low	147.4 Å²	147.4	139.1 Å²	139.1	79%	0.788	78%	0.78	S	S	*	*			trans	-63.1	133.6	145.2	-97.4	-7.2	0	0	0	111.6	S2531 T2535	S2531-N2533 PolarHBondContact O-N 2.9Å; N2533-T2535 VanDerWaalsContact C-N 3.35Å; N2533-T2535 PolarHBondContact O-N 3.06Å
2534	T	29.1	Very low	28	Very low	126.2 Å²	126.2	138.1 Å²	138.1	77%	0.774	78%	0.778	S	S	*	*				-118	126.1	129.9	36.9	0	0	0	0	113	Q2532 C2536	Q2532-T2534 PolarHBondContact O-N 2.76Å; Q2532-T2534 VanDerWaalsContact O-N 3.11Å; T2534-C2536 PolarHBondContact O-N 3.44Å
2535	T	26.9	Very low	28.2	Very low	133.4 Å²	133.4	136.7 Å²	136.7	82%	0.818	77%	0.77	S	S	*	*			trans	-52.8	126.7	161.9	-37.8	0	0	0	0	113.4	N2533 P2537	N2533-T2535 VanDerWaalsContact C-N 3.35Å; N2533-T2535 PolarHBondContact O-N 3.06Å; T2535-P2537 WeakPolarHBondContact O-CD 3.48Å
2536	C	24.8	Very low	28.3	Very low	110.8 Å²	110.8	135.9 Å²	135.9	75%	0.749	76%	0.764	S	S	*	*			trans	-77.4	149.6	164.7	-59.2	0	0	0	0	110.8	T2534 I2538	T2534-C2536 PolarHBondContact O-N 3.44Å; C2536-I2538 PolarHBondContact O-N 3.04Å
2537	P	30.5	Very low	28.5	Very low	123.4 Å²	123.4	134.8 Å²	134.8	80%	0.801	76%	0.76	S	S	*	*			trans	-98.1	151.2	155.3	33	-31.3	0	0	0	113	T2535 S2539	T2535-P2537 WeakPolarHBondContact O-CD 3.48Å; P2537-S2539 VanDerWaalsContact C-N 3.29Å; P2537-S2539 PolarHBondContact O-N 3.46Å
2538	I	26.1	Very low	28.9	Very low	160 Å²	160	136.6 Å²	136.6	82%	0.821	76%	0.758	S	S	*	*			trans	-83.6	132.7	175.8	-63.4	158.5	0	0	0	109.3	C2536 N2540	C2536-I2538 PolarHBondContact O-N 3.04Å; I2538-N2540 WeakPolarHBondContact CG2-OD1 3.34Å
2539	S	29.5	Very low	29.2	Very low	106 Å²	106	135.1 Å²	135.1	74%	0.741	75%	0.749	S	S	*	*			trans	-147.9	114.5	155.4	71.6	0	0	0	0	112.3	P2537 I2541	P2537-S2539 VanDerWaalsContact C-N 3.29Å; P2537-S2539 PolarHBondContact O-N 3.46Å; S2539-I2541 PolarHBondContact O-N 3.19Å
2540	N	27.9	Very low	29.7	Very low	134.6 Å²	134.6	134.5 Å²	134.5	72%	0.72	74%	0.742	S	S	*	*			trans	6.5	122.1	158.2	-63.6	-14.2	0	0	0	117.6	I2538 C2542 E2607	I2538-N2540 WeakPolarHBondContact CG2-OD1 3.34Å; N2540-C2542 PolarHBondContact O-N 3.4Å; N2540-C2542 VanDerWaalsContact O-N 3.11Å; N2540-E2607 PolarHBondContact ND2-OE2 3.1Å
2541	I	29.7	Very low	30.7	Very low	168.8 Å²	168.8	133.3 Å²	133.3	87%	0.866	74%	0.736	S	S	*	*			trans	-154.1	113	135.1	-59.7	176.5	0	0	0	110.3	S2539	S2539-I2541 PolarHBondContact O-N 3.19Å
2542	C	24.5	Very low	31.8	Very low	109.4 Å²	109.4	134.8 Å²	134.8	74%	0.739	73%	0.731	S	S	*	*			trans	-100.7	135	177.9	-93.8	0	0	0	0	110.2	N2540	N2540-C2542 PolarHBondContact O-N 3.4Å; N2540-C2542 VanDerWaalsContact O-N 3.11Å
2543	N	27	Very low	32.7	Very low	144 Å²	144	129.7 Å²	129.7	77%	0.77	71%	0.712	S	S	*	*			trans	-148	139.3	138	-119.4	-7.5	0	0	0	111.5	Q2545	N2543-Q2545 PolarHBondContact O-N 3.31Å
2544	S	27.1	Very low	33.7	Very low	97.8 Å²	97.8	126.6 Å²	126.6	68%	0.684	69%	0.692	S	S	*	*			trans	-85.8	111.1	172.6	39.2	0	0	0	0	114.4
2545	Q	29.4	Very low	34.6	Very low	142.8 Å²	142.8	124.9 Å²	124.9	67%	0.667	68%	0.679	S	S	*	*			trans	-158.4	130	135.5	-138.2	69.2	17.9	0	0	113.1	N2543 I2547	N2543-Q2545 PolarHBondContact O-N 3.31Å; Q2545-I2547 HydrophobicContact CB-CG1 4.18Å; Q2545-I2547 HydrophobicContact CG-CD1 3.92Å; Q2545-I2547 HydrophobicContact CG-CG1 3.27Å; Q2545-I2547 PolarHBondContact O-N 3.17Å
2546	S	28.7	Very low	35.6	Very low	93.4 Å²	93.4	121 Å²	121	65%	0.653	66%	0.66	S	S	*	*			trans	-39.5	105.2	152.3	58.2	0	0	0	0	114.8	Y2548	S2546-Y2548 PolarHBondContact O-N 3.27Å
2547	I	34.5	Very low	36.9	Very low	145.4 Å²	145.4	119.8 Å²	119.8	75%	0.746	65%	0.645	S	S	*	*			trans	-89.4	117.6	152.6	-64.3	179.5	0	0	0	109.3	Q2545 D2549	Q2545-I2547 HydrophobicContact CB-CG1 4.18Å; Q2545-I2547 HydrophobicContact CG-CD1 3.92Å; Q2545-I2547 HydrophobicContact CG-CG1 3.27Å; Q2545-I2547 PolarHBondContact O-N 3.17Å; I2547-D2549 PolarHBondContact O-N 2.84Å
2548	Y	36.6	Very low	37.5	Very low	182.8 Å²	182.8	118 Å²	118	72%	0.717	63%	0.629	S	S	*	*			trans	-63.1	138.3	150.8	-78.9	-94	0	0	0	111.9	S2546 W2550	S2546-Y2548 PolarHBondContact O-N 3.27Å; Y2548-W2550 PolarHBondContact O-N 3.22Å
2549	D	37.6	Very low	38.3	Very low	108 Å²	108	116.5 Å²	116.5	58%	0.578	62%	0.618	S	S	*	*			trans	-60.3	67.1	174.4	-153.5	16.6	0	0	0	113.1	I2547 D2551 H2552 V2553	I2547-D2549 PolarHBondContact O-N 2.84Å; D2549-D2551 VanDerWaalsContact C-N 3.33Å; D2549-D2551 PolarHBondContact O-N 2.97Å; D2549-H2552 HydrophobicContact CB-CB 4.19Å; D2549-H2552 WeakPolarHBondContact O-CA 3.32Å; D2549-H2552 VanDerWaalsContact O-CB 3.29Å; D2549-H2552 WeakPolarHBondContact O-CB 3.4Å; D2549-H2552 PolarHBondContact O-N 3.01Å; D2549-H2552 VanDerWaalsContact O-N 3.13Å; D2549-H2552 IonicContact OD1-CE1 3.93Å; D2549-H2552 IonicContact OD1-CG 3.44Å; D2549-H2552 IonicContact OD1-ND1 2.81Å; D2549-H2552 PolarHBondContact OD1-ND1 3.22Å; D2549-H2552 WeakPolarHBondContact OD2-CB 3.48Å; D2549-H2552 IonicContact OD2-CE1 3.38Å; D2549-H2552 IonicContact OD2-CG 3.54Å; D2549-H2552 IonicContact OD2-ND1 2.93Å; D2549-H2552 PolarHBondContact OD2-ND1 3.09Å; D2549-V2553 PolarHBondContact O-N 2.94Å; D2549-V2553 VanDerWaalsContact O-N 3.09Å
2550	W	40.5	Very low	38.8	Very low	161 Å²	161	117.6 Å²	117.6	61%	0.61	62%	0.616	S	S	*	*	H	α-helix	trans	-74	-23.7	178.5	-108.8	97.4	0	0	0	112.6	Y2548 H2552 V2553 Q2554	Y2548-W2550 PolarHBondContact O-N 3.22Å; W2550-H2552 VanDerWaalsContact C-N 3.28Å; W2550-H2552 PolarHBondContact O-N 3.04Å; W2550-V2553 HydrophobicContact CE3-CB 4.28Å; W2550-V2553 HydrophobicContact CE3-CG1 4.24Å; W2550-V2553 HydrophobicContact CH2-CG1 4.36Å; W2550-V2553 HydrophobicContact CZ3-CB 4.34Å; W2550-V2553 HydrophobicContact CZ3-CG1 4.02Å; W2550-V2553 WeakPolarHBondContact O-CB 3.43Å; W2550-V2553 PolarHBondContact O-N 3.41Å; W2550-V2553 VanDerWaalsContact O-N 3.09Å; W2550-Q2554 WeakPolarHBondContact O-CB 3.21Å; W2550-Q2554 PolarHBondContact O-N 3.07Å
2551	D	49.7	Very low	39.4	Very low	121.4 Å²	121.4	114.9 Å²	114.9	65%	0.649	61%	0.607	S	S	*	*	H	α-helix	trans	-66	-30.6	179	-73.1	-23.6	0	0	0	112.7	D2549 Q2554 N2555	D2549-D2551 VanDerWaalsContact C-N 3.33Å; D2549-D2551 PolarHBondContact O-N 2.97Å; D2551-Q2554 PolarHBondContact O-N 3.42Å; D2551-N2555 VanDerWaalsContact O-CB 3.31Å; D2551-N2555 WeakPolarHBondContact O-CB 3.25Å; D2551-N2555 PolarHBondContact O-N 3.2Å; D2551-N2555 VanDerWaalsContact O-N 3.07Å; D2551-N2555 PolarHBondContact O-ND2 3.38Å
2552	H	51.3	Low	39.7	Very low	138 Å²	138	110.8 Å²	110.8	64%	0.639	59%	0.593	S	S	*	*	H	α-helix	trans	-69.1	-37.5	173.1	-105.8	91.8	0	0	0	112.5	D2549 W2550 N2555 A2556	D2549-H2552 HydrophobicContact CB-CB 4.19Å; D2549-H2552 WeakPolarHBondContact O-CA 3.32Å; D2549-H2552 VanDerWaalsContact O-CB 3.29Å; D2549-H2552 WeakPolarHBondContact O-CB 3.4Å; D2549-H2552 PolarHBondContact O-N 3.01Å; D2549-H2552 VanDerWaalsContact O-N 3.13Å; D2549-H2552 IonicContact OD1-CE1 3.93Å; D2549-H2552 IonicContact OD1-CG 3.44Å; D2549-H2552 IonicContact OD1-ND1 2.81Å; D2549-H2552 PolarHBondContact OD1-ND1 3.22Å; D2549-H2552 WeakPolarHBondContact OD2-CB 3.48Å; D2549-H2552 IonicContact OD2-CE1 3.38Å; D2549-H2552 IonicContact OD2-CG 3.54Å; D2549-H2552 IonicContact OD2-ND1 2.93Å; D2549-H2552 PolarHBondContact OD2-ND1 3.09Å; W2550-H2552 VanDerWaalsContact C-N 3.28Å; W2550-H2552 PolarHBondContact O-N 3.04Å; H2552-N2555 PolarHBondContact O-N 3.38Å; H2552-A2556 WeakPolarHBondContact O-CB 3.36Å; H2552-A2556 PolarHBondContact O-N 3.15Å
2553	V	49.3	Very low	40.2	Very low	68.6 Å²	68.6	112.1 Å²	112.1	42%	0.416	59%	0.592	S	S	.	*	H	α-helix	trans	-69.5	-42.6	176.5	-179.8	0	0	0	0	110.2	D2549 W2550 N2555 A2556 I2557	D2549-V2553 PolarHBondContact O-N 2.94Å; D2549-V2553 VanDerWaalsContact O-N 3.09Å; W2550-V2553 HydrophobicContact CE3-CB 4.28Å; W2550-V2553 HydrophobicContact CE3-CG1 4.24Å; W2550-V2553 HydrophobicContact CH2-CG1 4.36Å; W2550-V2553 HydrophobicContact CZ3-CB 4.34Å; W2550-V2553 HydrophobicContact CZ3-CG1 4.02Å; W2550-V2553 WeakPolarHBondContact O-CB 3.43Å; W2550-V2553 PolarHBondContact O-N 3.41Å; W2550-V2553 VanDerWaalsContact O-N 3.09Å; V2553-N2555 VanDerWaalsContact C-N 3.33Å; V2553-N2555 PolarHBondContact O-N 2.9Å; V2553-A2556 WeakPolarHBondContact O-CB 3.37Å; V2553-A2556 PolarHBondContact O-N 3.32Å; V2553-A2556 VanDerWaalsContact O-N 3.1Å; V2553-I2557 HydrophobicContact CG1-CD1 4.06Å; V2553-I2557 HydrophobicContact CG1-CG1 4.45Å; V2553-I2557 VanDerWaalsContact O-CG1 3.3Å; V2553-I2557 WeakPolarHBondContact O-CG1 3.35Å; V2553-I2557 PolarHBondContact O-N 3.16Å; V2553-I2557 VanDerWaalsContact O-N 3.11Å
2554	Q	47.2	Very low	40.6	Very low	82.4 Å²	82.4	113.2 Å²	113.2	39%	0.385	59%	0.592	S	S	.	*	H	α-helix	trans	-68.7	-36.3	177.2	-141.6	56.9	-7.6	0	0	112.3	W2550 D2551 A2556 I2557 N2558	W2550-Q2554 WeakPolarHBondContact O-CB 3.21Å; W2550-Q2554 PolarHBondContact O-N 3.07Å; D2551-Q2554 PolarHBondContact O-N 3.42Å; Q2554-A2556 VanDerWaalsContact C-N 3.33Å; Q2554-A2556 PolarHBondContact O-N 3.21Å; Q2554-I2557 PolarHBondContact O-N 3.12Å; Q2554-N2558 PolarHBondContact NE2-OD1 3.02Å; Q2554-N2558 VanDerWaalsContact O-CB 3.25Å; Q2554-N2558 WeakPolarHBondContact O-CB 3.39Å; Q2554-N2558 PolarHBondContact O-N 2.95Å; Q2554-N2558 PolarHBondContact O-ND2 2.95Å; Q2554-N2558 PolarHBondContact O-OD1 3.25Å; Q2554-N2558 PolarHBondContact OE1-ND2 2.87Å
2555	N	48.6	Very low	40.9	Very low	91.2 Å²	91.2	115.3 Å²	115.3	49%	0.488	60%	0.596	S	S	.	*	H	α-helix	trans	-68.2	-32	172.6	-102.1	-40.8	0	0	0	112.7	D2551 H2552 V2553 N2558 Q2559	D2551-N2555 VanDerWaalsContact O-CB 3.31Å; D2551-N2555 WeakPolarHBondContact O-CB 3.25Å; D2551-N2555 PolarHBondContact O-N 3.2Å; D2551-N2555 VanDerWaalsContact O-N 3.07Å; D2551-N2555 PolarHBondContact O-ND2 3.38Å; H2552-N2555 PolarHBondContact O-N 3.38Å; V2553-N2555 VanDerWaalsContact C-N 3.33Å; V2553-N2555 PolarHBondContact O-N 2.9Å; N2555-N2558 PolarHBondContact O-N 3.22Å; N2555-Q2559 VanDerWaalsContact O-CB 3.3Å; N2555-Q2559 WeakPolarHBondContact O-CB 3.41Å; N2555-Q2559 VanDerWaalsContact O-CG 3.28Å; N2555-Q2559 WeakPolarHBondContact O-CG 3.35Å; N2555-Q2559 PolarHBondContact O-N 3.04Å; N2555-Q2559 PolarHBondContact O-NE2 2.75Å; N2555-Q2559 PolarHBondContact OD1-NE2 2.77Å; N2555-Q2559 VanDerWaalsContact OD1-NE2 3.14Å
2556	A	47.3	Very low	41	Very low	51.6 Å²	51.6	115.4 Å²	115.4	43%	0.426	60%	0.601	S	S	.	*	H	α-helix	trans	-67.3	-43.4	172.3	0	0	0	0	0	111.7	H2552 V2553 Q2554 N2558 Q2559 L2560	H2552-A2556 WeakPolarHBondContact O-CB 3.36Å; H2552-A2556 PolarHBondContact O-N 3.15Å; V2553-A2556 WeakPolarHBondContact O-CB 3.37Å; V2553-A2556 PolarHBondContact O-N 3.32Å; V2553-A2556 VanDerWaalsContact O-N 3.1Å; Q2554-A2556 VanDerWaalsContact C-N 3.33Å; Q2554-A2556 PolarHBondContact O-N 3.21Å; A2556-N2558 PolarHBondContact O-N 2.91Å; A2556-Q2559 PolarHBondContact O-N 3.04Å; A2556-L2560 WeakPolarHBondContact O-CB 3.49Å; A2556-L2560 WeakPolarHBondContact O-CD1 3.36Å; A2556-L2560 VanDerWaalsContact O-CG 3.3Å; A2556-L2560 WeakPolarHBondContact O-CG 3.29Å; A2556-L2560 PolarHBondContact O-N 3.03Å
2557	I	51.2	Low	41.3	Very low	85.2 Å²	85.2	117.8 Å²	117.8	44%	0.437	61%	0.606	S	S	.	*	H	α-helix	trans	-65	-42.3	176	-68	168.3	0	0	0	110.9	V2553 Q2554 Q2559 L2560 S2561	V2553-I2557 HydrophobicContact CG1-CD1 4.06Å; V2553-I2557 HydrophobicContact CG1-CG1 4.45Å; V2553-I2557 VanDerWaalsContact O-CG1 3.3Å; V2553-I2557 WeakPolarHBondContact O-CG1 3.35Å; V2553-I2557 PolarHBondContact O-N 3.16Å; V2553-I2557 VanDerWaalsContact O-N 3.11Å; Q2554-I2557 PolarHBondContact O-N 3.12Å; I2557-Q2559 PolarHBondContact O-N 3.32Å; I2557-Q2559 VanDerWaalsContact O-N 3.15Å; I2557-L2560 CarbonylContact O-C 2.93Å; I2557-L2560 WeakPolarHBondContact O-CB 3.45Å; I2557-L2560 PolarHBondContact O-N 3.25Å; I2557-L2560 VanDerWaalsContact O-N 3.15Å; I2557-S2561 WeakPolarHBondContact O-CB 3.37Å; I2557-S2561 PolarHBondContact O-N 3.25Å; I2557-S2561 PolarHBondContact O-OG 3.24Å; I2557-S2561 VanDerWaalsContact O-OG 3.13Å
2558	N	42.9	Very low	41.2	Very low	85 Å²	85	118.8 Å²	118.8	46%	0.455	61%	0.607	S	S	.	*	H	α-helix	trans	-69.9	-26.5	178.4	-68.4	-21	0	0	0	112.9	Q2554 N2555 A2556 L2560 S2561 S2562	Q2554-N2558 PolarHBondContact NE2-OD1 3.02Å; Q2554-N2558 VanDerWaalsContact O-CB 3.25Å; Q2554-N2558 WeakPolarHBondContact O-CB 3.39Å; Q2554-N2558 PolarHBondContact O-N 2.95Å; Q2554-N2558 PolarHBondContact O-ND2 2.95Å; Q2554-N2558 PolarHBondContact O-OD1 3.25Å; Q2554-N2558 PolarHBondContact OE1-ND2 2.87Å; N2555-N2558 PolarHBondContact O-N 3.22Å; A2556-N2558 PolarHBondContact O-N 2.91Å; N2558-L2560 VanDerWaalsContact C-N 3.32Å; N2558-S2561 WeakPolarHBondContact CA-OG 3.3Å; N2558-S2561 CarbonylContact O-C 3.55Å; N2558-S2561 PolarHBondContact O-N 3.25Å; N2558-S2561 PolarHBondContact O-OG 3.15Å; N2558-S2562 VanDerWaalsContact O-CB 3.29Å; N2558-S2562 WeakPolarHBondContact O-CB 3.24Å; N2558-S2562 PolarHBondContact O-N 3.17Å; N2558-S2562 VanDerWaalsContact O-N 3.17Å; N2558-S2562 PolarHBondContact O-OG 3.32Å
2559	Q	44	Very low	41	Very low	128.6 Å²	128.6	116.9 Å²	116.9	60%	0.601	61%	0.61	S	S	*	*	H	α-helix	trans	-77	-29.4	171.6	-76.7	-179.1	53.8	0	0	112.4	N2555 A2556 I2557 S2561 S2562 I2563	N2555-Q2559 VanDerWaalsContact O-CB 3.3Å; N2555-Q2559 WeakPolarHBondContact O-CB 3.41Å; N2555-Q2559 VanDerWaalsContact O-CG 3.28Å; N2555-Q2559 WeakPolarHBondContact O-CG 3.35Å; N2555-Q2559 PolarHBondContact O-N 3.04Å; N2555-Q2559 PolarHBondContact O-NE2 2.75Å; N2555-Q2559 PolarHBondContact OD1-NE2 2.77Å; N2555-Q2559 VanDerWaalsContact OD1-NE2 3.14Å; A2556-Q2559 PolarHBondContact O-N 3.04Å; I2557-Q2559 PolarHBondContact O-N 3.32Å; I2557-Q2559 VanDerWaalsContact O-N 3.15Å; Q2559-S2561 VanDerWaalsContact C-N 3.34Å; Q2559-S2561 PolarHBondContact O-N 3.15Å; Q2559-S2562 WeakPolarHBondContact CA-OG 3.44Å; Q2559-S2562 WeakPolarHBondContact O-CB 3.49Å; Q2559-S2562 PolarHBondContact O-N 2.94Å; Q2559-S2562 VanDerWaalsContact O-N 3.14Å; Q2559-S2562 PolarHBondContact O-OG 3.01Å; Q2559-I2563 WeakPolarHBondContact O-CD1 3.44Å; Q2559-I2563 WeakPolarHBondContact O-CG1 3.42Å; Q2559-I2563 PolarHBondContact O-N 2.76Å
2560	L	39.4	Very low	40.7	Very low	130.4 Å²	130.4	118.1 Å²	118.1	68%	0.683	62%	0.616	S	S	*	*	H	α-helix	trans	-72.2	-29.9	173	-74.1	166.3	0	0	0	112.3	A2556 I2557 N2558 S2562 I2563 Q2564	A2556-L2560 WeakPolarHBondContact O-CB 3.49Å; A2556-L2560 WeakPolarHBondContact O-CD1 3.36Å; A2556-L2560 VanDerWaalsContact O-CG 3.3Å; A2556-L2560 WeakPolarHBondContact O-CG 3.29Å; A2556-L2560 PolarHBondContact O-N 3.03Å; I2557-L2560 CarbonylContact O-C 2.93Å; I2557-L2560 WeakPolarHBondContact O-CB 3.45Å; I2557-L2560 PolarHBondContact O-N 3.25Å; I2557-L2560 VanDerWaalsContact O-N 3.15Å; N2558-L2560 VanDerWaalsContact C-N 3.32Å; L2560-S2562 VanDerWaalsContact C-N 3.34Å; L2560-S2562 PolarHBondContact O-N 2.97Å; L2560-S2562 VanDerWaalsContact O-N 3.1Å; L2560-I2563 PolarHBondContact O-N 3.39Å; L2560-Q2564 PolarHBondContact O-N 2.98Å
2561	S	41.3	Very low	40.3	Very low	77.4 Å²	77.4	118.3 Å²	118.3	54%	0.541	62%	0.624	S	S	.	*	H	α-helix	trans	-82.7	-10	176.9	51.3	0	0	0	0	114.1	I2557 N2558 Q2559 I2563 Q2564 N2565	I2557-S2561 WeakPolarHBondContact O-CB 3.37Å; I2557-S2561 PolarHBondContact O-N 3.25Å; I2557-S2561 PolarHBondContact O-OG 3.24Å; I2557-S2561 VanDerWaalsContact O-OG 3.13Å; N2558-S2561 WeakPolarHBondContact CA-OG 3.3Å; N2558-S2561 CarbonylContact O-C 3.55Å; N2558-S2561 PolarHBondContact O-N 3.25Å; N2558-S2561 PolarHBondContact O-OG 3.15Å; Q2559-S2561 VanDerWaalsContact C-N 3.34Å; Q2559-S2561 PolarHBondContact O-N 3.15Å; S2561-I2563 VanDerWaalsContact C-N 3.31Å; S2561-I2563 PolarHBondContact O-N 2.92Å; S2561-Q2564 PolarHBondContact O-N 2.89Å; S2561-N2565 PolarHBondContact O-N 3.16Å; S2561-N2565 VanDerWaalsContact O-N 3.17Å
2562	S	35.9	Very low	39.6	Very low	83 Å²	83	118.2 Å²	118.2	58%	0.58	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-2.2	-179.5	103.8	0	0	0	0	114.1	N2558 Q2559 L2560 N2566	N2558-S2562 VanDerWaalsContact O-CB 3.29Å; N2558-S2562 WeakPolarHBondContact O-CB 3.24Å; N2558-S2562 PolarHBondContact O-N 3.17Å; N2558-S2562 VanDerWaalsContact O-N 3.17Å; N2558-S2562 PolarHBondContact O-OG 3.32Å; Q2559-S2562 WeakPolarHBondContact CA-OG 3.44Å; Q2559-S2562 WeakPolarHBondContact O-CB 3.49Å; Q2559-S2562 PolarHBondContact O-N 2.94Å; Q2559-S2562 VanDerWaalsContact O-N 3.14Å; Q2559-S2562 PolarHBondContact O-OG 3.01Å; L2560-S2562 VanDerWaalsContact C-N 3.34Å; L2560-S2562 PolarHBondContact O-N 2.97Å; L2560-S2562 VanDerWaalsContact O-N 3.1Å; S2562-N2566 PolarHBondContact O-N 3.48Å; S2562-N2566 PolarHBondContact O-ND2 3.42Å
2563	I	35.5	Very low	38.7	Very low	137 Å²	137	119.8 Å²	119.8	70%	0.703	63%	0.628	S	S	*	*	S	Bend	trans	-103.6	9.8	180	-56	175.2	0	0	0	111.7	Q2559 L2560 S2561 N2565 N2566	Q2559-I2563 WeakPolarHBondContact O-CD1 3.44Å; Q2559-I2563 WeakPolarHBondContact O-CG1 3.42Å; Q2559-I2563 PolarHBondContact O-N 2.76Å; L2560-I2563 PolarHBondContact O-N 3.39Å; S2561-I2563 VanDerWaalsContact C-N 3.31Å; S2561-I2563 PolarHBondContact O-N 2.92Å; I2563-N2565 PolarHBondContact O-N 3.5Å; I2563-N2566 PolarHBondContact O-N 3.34Å; I2563-N2566 VanDerWaalsContact O-N 3.09Å
2564	Q	34.2	Very low	37.8	Very low	165.4 Å²	165.4	123.7 Å²	123.7	77%	0.773	65%	0.647	S	S	*	*			trans	-124.5	56.9	170.5	-107	175	-19.8	0	0	112.3	L2560 S2561	L2560-Q2564 PolarHBondContact O-N 2.98Å; S2561-Q2564 PolarHBondContact O-N 2.89Å
2565	N	33	Very low	37.1	Very low	143.2 Å²	143.2	127.2 Å²	127.2	77%	0.766	67%	0.667	S	S	*	*			trans	-151	56.1	174.3	-83.3	-25.5	0	0	0	112.9	S2561 I2563	S2561-N2565 PolarHBondContact O-N 3.16Å; S2561-N2565 VanDerWaalsContact O-N 3.17Å; I2563-N2565 PolarHBondContact O-N 3.5Å
2566	N	32.4	Very low	36.2	Very low	145.2 Å²	145.2	127.8 Å²	127.8	78%	0.776	68%	0.678	S	S	*	*			trans	-150.5	73.9	162.8	-104.9	-28.7	0	0	0	109.4	S2562 I2563 H2568	S2562-N2566 PolarHBondContact O-N 3.48Å; S2562-N2566 PolarHBondContact O-ND2 3.42Å; I2563-N2566 PolarHBondContact O-N 3.34Å; I2563-N2566 VanDerWaalsContact O-N 3.09Å; N2566-H2568 PolarHBondContact O-N 2.91Å
2567	D	34.4	Very low	35.4	Very low	143.8 Å²	143.8	130.2 Å²	130.2	77%	0.769	69%	0.691	S	S	*	*			trans	-142.4	99.5	139.1	-87.7	-36.6	0	0	0	110
2568	H	33.4	Very low	34.4	Very low	165 Å²	165	132.7 Å²	132.7	76%	0.764	71%	0.706	S	S	*	*			trans	-147.3	100.3	153.1	-89.9	65.7	0	0	0	112.9	N2566	N2566-H2568 PolarHBondContact O-N 2.91Å
2569	N	31.6	Very low	33.8	Very low	143.4 Å²	143.4	135.7 Å²	135.7	77%	0.767	71%	0.714	S	S	*	*			trans	-159.3	116.5	170.8	-87.8	-40.8	0	0	0	113
2570	N	30.9	Very low	33.2	Very low	132.6 Å²	132.6	135.3 Å²	135.3	71%	0.709	72%	0.717	S	S	*	*			trans	170	123.7	164.8	-85.1	-43.6	0	0	0	114.3
2571	H	33.3	Very low	32.7	Very low	166.2 Å²	166.2	136.6 Å²	136.6	77%	0.769	72%	0.717	S	S	*	*				-129.4	114.8	129.2	-98.2	-62.5	0	0	0	116
2572	D	33.8	Very low	32.3	Very low	119.6 Å²	119.6	141.1 Å²	141.1	64%	0.64	72%	0.723	S	S	*	*			trans	-125.6	133.7	141	-108.3	-21.5	0	0	0	114	D2970 S2971	D2572-D2970 WeakPolarHBondContact CA-OD1 3.41Å; D2572-D2970 VanDerWaalsContact CG-C 3.44Å; D2572-D2970 WeakPolarHBondContact OD1-CA 3.41Å; D2572-D2970 WeakPolarHBondContact OD1-CB 3.24Å; D2572-D2970 VanDerWaalsContact OD2-CA 3.24Å; D2572-D2970 WeakPolarHBondContact OD2-CA 3.49Å; D2572-S2971 VanDerWaalsContact CG-CB 3.43Å; D2572-S2971 PolarHBondContact OD1-N 2.99Å; D2572-S2971 WeakPolarHBondContact OD2-CA 3.33Å; D2572-S2971 WeakPolarHBondContact OD2-CB 3.47Å; D2572-S2971 PolarHBondContact OD2-N 2.83Å; D2572-S2971 PolarHBondContact OD2-OG 2.95Å
2573	K	33.4	Very low	32	Very low	172 Å²	172	142.1 Å²	142.1	75%	0.748	73%	0.726	S	S	*	*			trans	-73.4	115.7	166.2	-62.9	173	-176.4	160.3	0	112.8	D2970	K2573-D2970 PolarHBondContact N-OD2 2.84Å
2574	N	30.8	Very low	31.7	Very low	149.4 Å²	149.4	144.5 Å²	144.5	80%	0.799	73%	0.732	S	S	*	*				-176.7	116.8	126.2	-98.1	-29.6	0	0	0	112.7
2575	I	32.6	Very low	31.7	Very low	156.8 Å²	156.8	143.4 Å²	143.4	80%	0.804	73%	0.731	S	S	*	*			trans	143	131.8	134.4	-76.9	162.8	0	0	0	111.6
2576	S	29.7	Very low	31.6	Very low	104 Å²	104	139.7 Å²	139.7	73%	0.727	73%	0.727	S	S	*	*			trans	-118.8	150.9	148.4	68.6	0	0	0	0	112.4	N2578	S2576-N2578 PolarHBondContact O-N 3.32Å
2577	S	30.4	Very low	31.8	Very low	101.2 Å²	101.2	139.9 Å²	139.9	71%	0.708	73%	0.727	S	S	*	*				-119.9	144.8	127.3	-12.2	0	0	0	0	112.5	D2958	S2577-D2958 WeakPolarHBondContact CB-OD2 3.16Å
2578	N	30.1	Very low	31.9	Very low	137.6 Å²	137.6	139.6 Å²	139.6	74%	0.736	73%	0.725	S	S	*	*			trans	-176.7	120	148.6	-107.8	-22.6	0	0	0	113.8	S2576 T2956 D2958	S2576-N2578 PolarHBondContact O-N 3.32Å; N2578-T2956 WeakPolarHBondContact O-CG2 3.43Å; N2578-D2958 WeakPolarHBondContact CA-OD2 3.45Å; N2578-D2958 PolarHBondContact N-OD2 2.93Å
2579	K	30.5	Very low	32.2	Very low	147.6 Å²	147.6	138.6 Å²	138.6	64%	0.642	73%	0.725	S	S	*	*			trans	-91.8	144.4	160.5	-127.7	178.2	171.6	174.5	0	113.5	F2581 T2956 E2957 D2958 D2959 D2960	K2579-F2581 HydrophobicContact CD-CE2 4.25Å; K2579-F2581 HydrophobicContact CG-CD2 4.44Å; K2579-T2956 CarbonylContact O-C 2.81Å; K2579-T2956 WeakPolarHBondContact O-CA 2.9Å; K2579-E2957 CarbonylContact C-O 3.57Å; K2579-E2957 CarbonylContact O-C 3.43Å; K2579-E2957 VanDerWaalsContact O-CA 3.3Å; K2579-E2957 WeakPolarHBondContact O-CA 2.93Å; K2579-E2957 PolarHBondContact O-N 3.24Å; K2579-D2958 HydrophobicContact CB-CB 4.09Å; K2579-D2958 VanDerWaalsContact CB-CG 3.49Å; K2579-D2958 WeakPolarHBondContact CB-OD1 3.44Å; K2579-D2958 WeakPolarHBondContact CE-OD1 3.44Å; K2579-D2958 VanDerWaalsContact N-CG 3.28Å; K2579-D2958 PolarHBondContact N-OD2 3.08Å; K2579-D2958 IonicContact NZ-OD1 2.65Å; K2579-D2958 PolarHBondContact O-N 3.02Å; K2579-D2958 VanDerWaalsContact O-N 3.1Å; K2579-D2959 PolarHBondContact NZ-O 2.8Å; K2579-D2960 VanDerWaalsContact NZ-N 3.18Å; K2579-D2960 IonicContact NZ-OD1 2.92Å; K2579-D2960 PolarHBondContact NZ-OD1 2.69Å
2580	N	31.3	Very low	32.7	Very low	120.6 Å²	120.6	140.3 Å²	140.3	65%	0.645	73%	0.729	S	S	*	*			trans	150.9	140.4	134.8	-80.6	-13.6	0	0	0	112.8	L2955 E2957	N2580-L2955 HydrophobicContact CB-CB 3.9Å; N2580-L2955 WeakPolarHBondContact CB-O 3.25Å; N2580-L2955 WeakPolarHBondContact ND2-CB 3.43Å; N2580-E2957 WeakPolarHBondContact ND2-CB 3.41Å; N2580-E2957 PolarHBondContact ND2-N 3.28Å; N2580-E2957 PolarHBondContact ND2-OE1 3.26Å; N2580-E2957 WeakPolarHBondContact OD1-CB 3.25Å; N2580-E2957 PolarHBondContact OD1-O 2.9Å; N2580-E2957 VanDerWaalsContact OD1-O 3.07Å
2581	F	29.5	Very low	33.3	Very low	157.4 Å²	157.4	140.9 Å²	140.9	69%	0.69	73%	0.732	S	S	*	*				139.1	124.9	101.8	-90.9	-92.4	0	0	0	109.9	K2579 L2955	K2579-F2581 HydrophobicContact CD-CE2 4.25Å; K2579-F2581 HydrophobicContact CG-CD2 4.44Å; F2581-L2955 VanDerWaalsContact O-CB 3.29Å; F2581-L2955 WeakPolarHBondContact O-CB 3.33Å
2582	Y	31.2	Very low	33.8	Very low	172 Å²	172	140.3 Å²	140.3	68%	0.675	73%	0.734	S	S	*	*				-137.9	146.3	106.6	-98	-66.3	0	0	0	111.3	A2213 T2214 I2215 E2953 L2955	A2213-Y2582 HydrophobicContact CB-CD1 4.28Å; A2213-Y2582 HydrophobicContact CB-CD2 4.38Å; A2213-Y2582 HydrophobicContact CB-CG 3.96Å; T2214-Y2582 PolarHBondContact O-N 3.4Å; I2215-Y2582 WeakPolarHBondContact CA-O 3.04Å; I2215-Y2582 WeakPolarHBondContact CB-O 3.31Å; I2215-Y2582 WeakPolarHBondContact CD1-O 3.38Å; I2215-Y2582 WeakPolarHBondContact CG1-O 3.32Å; Y2582-E2953 HydrophobicContact CE2-CB 3.55Å; Y2582-E2953 VanDerWaalsContact OH-CB 3.29Å; Y2582-E2953 WeakPolarHBondContact OH-CB 3.46Å; Y2582-L2955 HydrophobicContact CD2-CB 4Å; Y2582-L2955 HydrophobicContact CD2-CG 4.49Å; Y2582-L2955 HydrophobicContact CE1-CD1 3.98Å; Y2582-L2955 HydrophobicContact CE1-CG 4.49Å; Y2582-L2955 HydrophobicContact CE2-CB 3.73Å; Y2582-L2955 HydrophobicContact CE2-CD1 4.17Å; Y2582-L2955 HydrophobicContact CE2-CG 3.82Å; Y2582-L2955 VanDerWaalsContact CE2-N 3.33Å
2583	T	31.1	Very low	34.3	Very low	105 Å²	105	141.4 Å²	141.4	64%	0.644	74%	0.74	S	S	*	*			trans	-82.4	145.1	161	41.5	0	0	0	0	112.4	T2214 I2215	T2214-T2583 CarbonylContact C-O 3.57Å; T2214-T2583 VanDerWaalsContact CA-O 3.29Å; T2214-T2583 WeakPolarHBondContact CA-O 3.44Å; T2214-T2583 WeakPolarHBondContact CG2-O 3.34Å; I2215-T2583 VanDerWaalsContact CB-C 3.49Å; I2215-T2583 VanDerWaalsContact CG2-C 3.5Å; I2215-T2583 PolarHBondContact N-O 3.36Å
2584	F	29.3	Very low	34.7	Very low	185.6 Å²	185.6	140.3 Å²	140.3	81%	0.814	74%	0.743	S	S	*	*			trans	-172.6	128	131.4	-149.2	-99.1	0	0	0	111.4
2585	N	33.3	Very low	35.3	Very low	142.6 Å²	142.6	140.7 Å²	140.7	76%	0.763	75%	0.745	S	S	*	*			trans	-46.9	144.4	171.9	-72.4	7.6	0	0	0	114.4
2586	G	31.4	Very low	35.6	Very low	66.4 Å²	66.4	141.6 Å²	141.6	69%	0.685	75%	0.746	S	S	*	*			trans	-126.1	143.2	152.8	0	0	0	0	0	111.5
2587	I	35.8	Very low	36.2	Very low	149.8 Å²	149.8	142.7 Å²	142.7	77%	0.768	75%	0.748	S	S	*	*			trans	115.9	117.1	145.4	-66.3	168.3	0	0	0	111	D2589	I2587-D2589 WeakPolarHBondContact CG2-OD1 3.5Å; I2587-D2589 VanDerWaalsContact CG2-OD2 3.25Å; I2587-D2589 WeakPolarHBondContact CG2-OD2 3.36Å
2588	D	36.7	Very low	36.4	Very low	137.4 Å²	137.4	144.2 Å²	144.2	74%	0.735	75%	0.748	S	S	*	*			trans	-52.5	138.3	161.9	-53.4	-46.9	0	0	0	114.8	E2590	D2588-E2590 PolarHBondContact O-N 2.75Å; D2588-E2590 VanDerWaalsContact O-N 3.16Å
2589	D	40.2	Very low	36.9	Very low	142.8 Å²	142.8	142.9 Å²	142.9	76%	0.764	74%	0.744	S	S	*	*			trans	65.7	131.9	149.4	-57.7	-30.9	0	0	0	116.5	I2587 D2591	I2587-D2589 WeakPolarHBondContact CG2-OD1 3.5Å; I2587-D2589 VanDerWaalsContact CG2-OD2 3.25Å; I2587-D2589 WeakPolarHBondContact CG2-OD2 3.36Å; D2589-D2591 PolarHBondContact O-N 3.21Å; D2589-D2591 VanDerWaalsContact O-N 3.13Å
2590	E	42.1	Very low	37.1	Very low	180.4 Å²	180.4	145.1 Å²	145.1	84%	0.843	75%	0.748	S	S	*	*			trans	-144.3	143.9	139.9	-67.6	-171.1	161.4	0	0	114.9	D2588 D2592	D2588-E2590 PolarHBondContact O-N 2.75Å; D2588-E2590 VanDerWaalsContact O-N 3.16Å; E2590-D2592 PolarHBondContact O-N 2.8Å; E2590-D2592 VanDerWaalsContact O-N 3.07Å
2591	D	41.9	Very low	37.2	Very low	144.4 Å²	144.4	150 Å²	150	77%	0.772	76%	0.758	S	S	*	*			trans	72.3	111.4	156.9	-64.7	-23.5	0	0	0	117.8	D2589 D2593	D2589-D2591 PolarHBondContact O-N 3.21Å; D2589-D2591 VanDerWaalsContact O-N 3.13Å; D2591-D2593 PolarHBondContact O-N 2.82Å
2592	D	44.1	Very low	37.4	Very low	153.2 Å²	153.2	151.1 Å²	151.1	82%	0.819	77%	0.765	S	S	*	*			trans	19.6	136.8	152.6	-71.5	-26.3	0	0	0	119.1	E2590	E2590-D2592 PolarHBondContact O-N 2.8Å; E2590-D2592 VanDerWaalsContact O-N 3.07Å
2593	D	44.1	Very low	37.6	Very low	142.2 Å²	142.2	147 Å²	147	76%	0.76	77%	0.767	S	S	*	*			trans	48.1	118.3	154.5	-65.5	-29.5	0	0	0	120.4	D2591 D2595	D2591-D2593 PolarHBondContact O-N 2.82Å; D2593-D2595 PolarHBondContact O-N 3.17Å
2594	D	42.2	Very low	37.8	Very low	150.2 Å²	150.2	150.6 Å²	150.6	80%	0.803	77%	0.773	S	S	*	*			trans	40.8	119.7	136.9	-71.4	-21	0	0	0	121.9
2595	D	43.8	Very low	38.1	Very low	157.2 Å²	157.2	146.7 Å²	146.7	84%	0.841	77%	0.765	S	S	*	*			trans	139.4	144.3	138.9	-100.6	-17.7	0	0	0	117	D2593 V2597	D2593-D2595 PolarHBondContact O-N 3.17Å; D2595-V2597 PolarHBondContact O-N 2.84Å
2596	E	38.8	Very low	38	Very low	176.2 Å²	176.2	145.5 Å²	145.5	82%	0.823	76%	0.758	S	S	*	*			trans	-109.1	146.6	-165	-134.3	-162.2	-178.1	0	0	115.3	D2598	E2596-D2598 VanDerWaalsContact C-N 3.33Å; E2596-D2598 PolarHBondContact O-N 3.4Å
2597	V	41.8	Very low	38.1	Very low	127 Å²	127	149.5 Å²	149.5	77%	0.77	76%	0.759	S	S	*	*			trans	169.4	97.8	154.7	-137.9	0	0	0	0	116.3	D2595 V2599	D2595-V2597 PolarHBondContact O-N 2.84Å; V2597-V2599 HydrophobicContact CB-CG2 4.24Å; V2597-V2599 WeakPolarHBondContact O-CG2 3.42Å; V2597-V2599 PolarHBondContact O-N 3.09Å; V2597-V2599 VanDerWaalsContact O-N 3.12Å
2598	D	36.2	Very low	37.9	Very low	132.4 Å²	132.4	149.6 Å²	149.6	71%	0.708	76%	0.761	S	S	*	*			trans	-38.7	130.5	151.4	-167.6	19.7	0	0	0	116.5	E2596 R2600	E2596-D2598 VanDerWaalsContact C-N 3.33Å; E2596-D2598 PolarHBondContact O-N 3.4Å; D2598-R2600 VanDerWaalsContact C-N 3.31Å; D2598-R2600 PolarHBondContact O-N 3.17Å; D2598-R2600 PolarHBondContact OD1-N 2.94Å; D2598-R2600 IonicContact OD2-CZ 3.86Å; D2598-R2600 IonicContact OD2-NE 3.02Å; D2598-R2600 PolarHBondContact OD2-NE 3.42Å; D2598-R2600 IonicContact OD2-NH2 3.63Å
2599	V	40.4	Very low	37.7	Very low	109.8 Å²	109.8	146.4 Å²	146.4	67%	0.665	76%	0.761	S	S	*	*			trans	-148.2	74.1	166.7	-165.6	0	0	0	0	114.9	V2597 R2601	V2597-V2599 HydrophobicContact CB-CG2 4.24Å; V2597-V2599 WeakPolarHBondContact O-CG2 3.42Å; V2597-V2599 PolarHBondContact O-N 3.09Å; V2597-V2599 VanDerWaalsContact O-N 3.12Å; V2599-R2601 VanDerWaalsContact C-N 3.31Å; V2599-R2601 HydrophobicContact CG1-CG 4.38Å; V2599-R2601 PolarHBondContact O-N 3.1Å; V2599-R2601 VanDerWaalsContact O-N 3.12Å
2600	R	32.9	Very low	37.4	Very low	193.6 Å²	193.6	145.6 Å²	145.6	73%	0.731	76%	0.761	S	S	*	*			trans	12.2	106.1	142.1	-108.3	-169.5	-134.4	179.9	1.5	117.7	D2598 H2602	D2598-R2600 VanDerWaalsContact C-N 3.31Å; D2598-R2600 PolarHBondContact O-N 3.17Å; D2598-R2600 PolarHBondContact OD1-N 2.94Å; D2598-R2600 IonicContact OD2-CZ 3.86Å; D2598-R2600 IonicContact OD2-NE 3.02Å; D2598-R2600 PolarHBondContact OD2-NE 3.42Å; D2598-R2600 IonicContact OD2-NH2 3.63Å; R2600-H2602 PolarHBondContact O-CD2 3.08Å; R2600-H2602 VanDerWaalsContact O-CD2 3.27Å; R2600-H2602 PolarHBondContact O-N 3.44Å; R2600-H2602 VanDerWaalsContact O-N 3.08Å
2601	R	33.9	Very low	36.9	Very low	225.2 Å²	225.2	141.6 Å²	141.6	85%	0.85	75%	0.753	S	S	*	*			trans	39.9	106.8	141.8	-69.8	175.4	-178.1	-174.3	0.6	115.5	V2599 A2603	V2599-R2601 VanDerWaalsContact C-N 3.31Å; V2599-R2601 HydrophobicContact CG1-CG 4.38Å; V2599-R2601 PolarHBondContact O-N 3.1Å; V2599-R2601 VanDerWaalsContact O-N 3.12Å; R2601-A2603 PolarHBondContact O-N 3.01Å
2602	H	34.5	Very low	36.5	Very low	179.2 Å²	179.2	142.7 Å²	142.7	83%	0.83	75%	0.753	S	S	*	*			trans	-106.9	123.4	149.9	-82.6	-77.4	0	0	0	112.7	R2600 K2604	R2600-H2602 PolarHBondContact O-CD2 3.08Å; R2600-H2602 VanDerWaalsContact O-CD2 3.27Å; R2600-H2602 PolarHBondContact O-N 3.44Å; R2600-H2602 VanDerWaalsContact O-N 3.08Å; H2602-K2604 PolarHBondContact O-N 3.46Å
2603	A	34.7	Very low	36	Very low	86.4 Å²	86.4	143.6 Å²	143.6	71%	0.714	75%	0.752	S	S	*	*			trans	-129.1	124.1	169.8	0	0	0	0	0	112.7	R2601 V2605	R2601-A2603 PolarHBondContact O-N 3.01Å; A2603-V2605 PolarHBondContact O-N 3.02Å; A2603-V2605 VanDerWaalsContact O-N 3.09Å
2604	K	35.3	Very low	35.4	Very low	179.6 Å²	179.6	142.8 Å²	142.8	78%	0.781	75%	0.748	S	S	*	*			trans	8.7	127.2	173.3	-78.8	-162.4	172.1	-171.1	0	113.7	H2602 N2606 F2747 P3487 H3488	H2602-K2604 PolarHBondContact O-N 3.46Å; K2604-N2606 PolarHBondContact O-N 3.39Å; K2604-F2747 CarbonylContact C-O 3.07Å; K2604-F2747 WeakPolarHBondContact CA-O 3.49Å; K2604-F2747 PolarHBondContact N-O 3.41Å; K2604-P3487 PolarHBondContact N-O 2.7Å; K2604-H3488 CarbonylContact C-O 3.36Å; K2604-H3488 WeakPolarHBondContact CA-O 2.84Å
2605	V	35.2	Very low	35.3	Very low	104.2 Å²	104.2	140.9 Å²	140.9	63%	0.632	74%	0.744	S	S	*	*			trans	-66.1	124.7	161.6	179.2	0	0	0	0	111.7	A2603 E2607 F2747 P2748 D2749 H3488 E3489	A2603-V2605 PolarHBondContact O-N 3.02Å; A2603-V2605 VanDerWaalsContact O-N 3.09Å; V2605-E2607 VanDerWaalsContact C-N 3.32Å; V2605-E2607 HydrophobicContact CG1-CB 4.32Å; V2605-E2607 HydrophobicContact CG1-CG 3.72Å; V2605-E2607 PolarHBondContact O-N 3.07Å; V2605-F2747 PolarHBondContact N-O 3.13Å; V2605-P2748 WeakPolarHBondContact O-CA 3.46Å; V2605-D2749 PolarHBondContact O-N 3.45Å; V2605-H3488 CarbonylContact C-O 3.26Å; V2605-H3488 WeakPolarHBondContact CA-O 3.05Å; V2605-H3488 PolarHBondContact N-O 3.39Å; V2605-E3489 VanDerWaalsContact C-N 3.33Å; V2605-E3489 WeakPolarHBondContact O-CB 3.29Å; V2605-E3489 PolarHBondContact O-N 3.41Å
2606	N	32	Very low	35	Very low	117.2 Å²	117.2	140 Å²	140	63%	0.627	74%	0.738	S	S	*	*			trans	-96	146.8	146	-89.1	2.9	0	0	0	112.9	K2604 N2608 D2749 P3487 H3488 E3489	K2604-N2606 PolarHBondContact O-N 3.39Å; N2606-N2608 PolarHBondContact O-N 3.19Å; N2606-N2608 VanDerWaalsContact O-N 3.1Å; N2606-N2608 WeakPolarHBondContact OD1-CB 3.36Å; N2606-N2608 PolarHBondContact OD1-N 3.17Å; N2606-N2608 PolarHBondContact OD1-ND2 3.44Å; N2606-D2749 VanDerWaalsContact CA-OD2 3.27Å; N2606-D2749 WeakPolarHBondContact CA-OD2 3.41Å; N2606-D2749 WeakPolarHBondContact CB-OD2 3.44Å; N2606-D2749 PolarHBondContact N-OD2 3.34Å; N2606-D2749 PolarHBondContact ND2-OD2 2.86Å; N2606-P3487 WeakPolarHBondContact OD1-CB 3.26Å; N2606-H3488 PolarHBondContact N-O 2.81Å; N2606-H3488 VanDerWaalsContact OD1-CB 3.29Å; N2606-H3488 WeakPolarHBondContact OD1-CB 3.23Å; N2606-H3488 PolarHBondContact OD1-O 2.73Å; N2606-E3489 VanDerWaalsContact CA-OE1 3.27Å; N2606-E3489 WeakPolarHBondContact CA-OE1 3.23Å; N2606-E3489 VanDerWaalsContact CB-OE1 3.3Å; N2606-E3489 WeakPolarHBondContact CB-OE1 3.38Å; N2606-E3489 PolarHBondContact ND2-OE1 2.97Å; N2606-E3489 VanDerWaalsContact ND2-OE1 3.13Å
2607	E	34.1	Very low	34.8	Very low	152 Å²	152	141.3 Å²	141.3	71%	0.71	74%	0.737	S	S	*	*			trans	-115.9	109.5	169.7	-75.1	168.5	-178.7	0	0	113.4	N2540 V2605 G2609 E3489	N2540-E2607 PolarHBondContact ND2-OE2 3.1Å; V2605-E2607 VanDerWaalsContact C-N 3.32Å; V2605-E2607 HydrophobicContact CG1-CB 4.32Å; V2605-E2607 HydrophobicContact CG1-CG 3.72Å; V2605-E2607 PolarHBondContact O-N 3.07Å; E2607-G2609 PolarHBondContact O-N 3.2Å; E2607-E3489 WeakPolarHBondContact CA-OE1 3.37Å; E2607-E3489 WeakPolarHBondContact CA-OE2 3.4Å; E2607-E3489 VanDerWaalsContact CG-OE1 3.28Å; E2607-E3489 WeakPolarHBondContact CG-OE1 3.29Å; E2607-E3489 PolarHBondContact N-OE1 3.11Å; E2607-E3489 PolarHBondContact N-OE2 3.34Å; E2607-E3489 VanDerWaalsContact N-OE2 3.16Å
2608	N	31.1	Very low	34.7	Very low	151 Å²	151	140.2 Å²	140.2	81%	0.807	73%	0.731	S	S	*	*			trans	-118.4	96.6	141.7	-87.6	-26.3	0	0	0	112.8	N2606 T2610	N2606-N2608 PolarHBondContact O-N 3.19Å; N2606-N2608 VanDerWaalsContact O-N 3.1Å; N2606-N2608 WeakPolarHBondContact OD1-CB 3.36Å; N2606-N2608 PolarHBondContact OD1-N 3.17Å; N2606-N2608 PolarHBondContact OD1-ND2 3.44Å; N2608-T2610 PolarHBondContact O-N 3.29Å
2609	G	31.9	Very low	34.8	Very low	70.4 Å²	70.4	140 Å²	140	73%	0.726	73%	0.73	S	S	*	*			trans	-93.8	110.6	173.4	0	0	0	0	0	113	E2607 S2611	E2607-G2609 PolarHBondContact O-N 3.2Å; G2609-S2611 PolarHBondContact O-N 2.92Å
2610	T	33.6	Very low	34.8	Very low	126.6 Å²	126.6	141.2 Å²	141.2	78%	0.777	73%	0.732	S	S	*	*			trans	-79.3	105.2	162	45.8	0	0	0	0	112.6	N2608 H2612	N2608-T2610 PolarHBondContact O-N 3.29Å; T2610-H2612 PolarHBondContact O-N 2.94Å; T2610-H2612 VanDerWaalsContact O-N 3.08Å
2611	S	32.1	Very low	35.1	Very low	95.4 Å²	95.4	139.8 Å²	139.8	67%	0.667	73%	0.734	S	S	*	*			trans	-41.2	123	168.2	154.3	0	0	0	0	113.1	G2609 H2613	G2609-S2611 PolarHBondContact O-N 2.92Å; S2611-H2613 PolarHBondContact O-N 3.02Å; S2611-H2613 PolarHBondContact OG-CD2 2.96Å; S2611-H2613 PolarHBondContact OG-CE1 2.87Å; S2611-H2613 PolarHBondContact OG-NE2 2.86Å
2612	H	34.4	Very low	35.3	Very low	167 Å²	167	139 Å²	139	77%	0.773	73%	0.733	S	S	*	*			trans	-71.1	105.5	171.7	-63.5	-74.9	0	0	0	111	T2610 N2614	T2610-H2612 PolarHBondContact O-N 2.94Å; T2610-H2612 VanDerWaalsContact O-N 3.08Å; H2612-N2614 VanDerWaalsContact C-N 3.3Å; H2612-N2614 PolarHBondContact O-N 3.3Å
2613	H	33.6	Very low	35.6	Very low	173.4 Å²	173.4	138.5 Å²	138.5	80%	0.803	73%	0.731	S	S	*	*			trans	-135	118.7	138.9	-94.5	-71.4	0	0	0	112.4	S2611 P2615	S2611-H2613 PolarHBondContact O-N 3.02Å; S2611-H2613 PolarHBondContact OG-CD2 2.96Å; S2611-H2613 PolarHBondContact OG-CE1 2.87Å; S2611-H2613 PolarHBondContact OG-NE2 2.86Å; H2613-P2615 WeakPolarHBondContact O-CD 3.48Å
2614	N	31.8	Very low	35.8	Very low	124.2 Å²	124.2	138.7 Å²	138.7	66%	0.664	73%	0.727	S	S	*	*			trans	-26.5	129.3	155.5	-145.3	31.7	0	0	0	112.5	H2612 L2616	H2612-N2614 VanDerWaalsContact C-N 3.3Å; H2612-N2614 PolarHBondContact O-N 3.3Å; N2614-L2616 PolarHBondContact O-N 3.01Å
2615	P	39.9	Very low	35.8	Very low	111.8 Å²	111.8	137.4 Å²	137.4	73%	0.726	73%	0.725	S	S	*	*			trans	-96.8	99.3	-177.7	26.3	-17.8	0	0	0	114.6	H2613	H2613-P2615 WeakPolarHBondContact O-CD 3.48Å
2616	L	37.1	Very low	36.1	Very low	138.4 Å²	138.4	136.5 Å²	136.5	73%	0.725	73%	0.729	S	S	*	*			trans	-147.2	73.9	173.3	-78.4	175.1	0	0	0	112.4	N2614	N2614-L2616 PolarHBondContact O-N 3.01Å
2617	Y	34.5	Very low	36.3	Very low	202.4 Å²	202.4	138.7 Å²	138.7	79%	0.794	74%	0.736	S	S	*	*			trans	-144.8	117.4	149.6	-89.1	-78.4	0	0	0	110.5	D2619	Y2617-D2619 WeakPolarHBondContact CD1-OD1 3.26Å; Y2617-D2619 PolarHBondContact O-N 3.26Å
2618	T	39.1	Very low	36.5	Very low	104.4 Å²	104.4	136.1 Å²	136.1	64%	0.64	73%	0.734	S	S	*	*			trans	-140.3	119.9	-173.7	33.7	0	0	0	0	107.1	N2620	T2618-N2620 PolarHBondContact O-N 3.43Å; T2618-N2620 PolarHBondContact O-ND2 2.91Å
2619	D	38	Very low	36.7	Very low	127 Å²	127	136.6 Å²	136.6	68%	0.679	73%	0.732	S	S	*	*			trans	-85.6	76.3	159.9	-32.5	-25.2	0	0	0	113.9	Y2617 E2621	Y2617-D2619 WeakPolarHBondContact CD1-OD1 3.26Å; Y2617-D2619 PolarHBondContact O-N 3.26Å; D2619-E2621 PolarHBondContact O-N 3.18Å; D2619-E2621 VanDerWaalsContact O-N 3.09Å
2620	N	40.6	Very low	36.8	Very low	135.2 Å²	135.2	137.6 Å²	137.6	72%	0.723	73%	0.728	S	S	*	*			trans	36.7	93	150.7	-63.9	-18.3	0	0	0	116.4	T2618 Y2622	T2618-N2620 PolarHBondContact O-N 3.43Å; T2618-N2620 PolarHBondContact O-ND2 2.91Å; N2620-Y2622 VanDerWaalsContact C-N 3.27Å; N2620-Y2622 PolarHBondContact O-N 3.45Å
2621	E	40.5	Very low	36.7	Very low	164.4 Å²	164.4	138.2 Å²	138.2	77%	0.768	73%	0.726	S	S	*	*			trans	-86	63.7	155.4	-65.7	-177.9	170.5	0	0	113.3	D2619 S2624 M2625	D2619-E2621 PolarHBondContact O-N 3.18Å; D2619-E2621 VanDerWaalsContact O-N 3.09Å; E2621-S2624 PolarHBondContact O-OG 3.23Å; E2621-M2625 WeakPolarHBondContact O-CE 3.3Å; E2621-M2625 PolarHBondContact O-N 3.48Å
2622	Y	36.8	Very low	36.8	Very low	208.6 Å²	208.6	141.1 Å²	141.1	82%	0.818	73%	0.734	S	S	*	*			trans	-123.7	51.7	174.2	-114.2	-87.2	0	0	0	113.7	N2620 S2624	N2620-Y2622 VanDerWaalsContact C-N 3.27Å; N2620-Y2622 PolarHBondContact O-N 3.45Å; Y2622-S2624 VanDerWaalsContact C-N 3.34Å; Y2622-S2624 PolarHBondContact O-N 3.4Å
2623	E	40.9	Very low	36.7	Very low	168.8 Å²	168.8	137.6 Å²	137.6	79%	0.789	73%	0.728	S	S	*	*			trans	-111.9	70.8	152.9	-105.5	162.3	178.5	0	0	112	M2625 A2626 E2627	E2623-M2625 VanDerWaalsContact C-N 3.3Å; E2623-M2625 PolarHBondContact O-N 3.24Å; E2623-A2626 CarbonylContact O-C 3.28Å; E2623-A2626 WeakPolarHBondContact O-CA 3.34Å; E2623-A2626 WeakPolarHBondContact O-CB 3.28Å; E2623-A2626 PolarHBondContact O-N 3.35Å; E2623-E2627 PolarHBondContact O-N 3Å
2624	S	38.3	Very low	36.8	Very low	91.6 Å²	91.6	135.5 Å²	135.5	64%	0.641	72%	0.722	S	S	*	*			trans	-101.4	38.2	164.2	-55.6	0	0	0	0	114.9	E2621 Y2622 A2626 E2627 S2628	E2621-S2624 PolarHBondContact O-OG 3.23Å; Y2622-S2624 VanDerWaalsContact C-N 3.34Å; Y2622-S2624 PolarHBondContact O-N 3.4Å; S2624-A2626 VanDerWaalsContact C-N 3.34Å; S2624-E2627 PolarHBondContact O-N 3.25Å; S2624-S2628 PolarHBondContact O-N 3.44Å
2625	M	35.5	Very low	37	Very low	150.4 Å²	150.4	136.2 Å²	136.2	74%	0.741	73%	0.731	S	S	*	*			trans	-50.2	40	150.6	-66.8	-167	-65.7	0	0	115	E2621 E2623 E2627 S2628	E2621-M2625 WeakPolarHBondContact O-CE 3.3Å; E2621-M2625 PolarHBondContact O-N 3.48Å; E2623-M2625 VanDerWaalsContact C-N 3.3Å; E2623-M2625 PolarHBondContact O-N 3.24Å; M2625-E2627 PolarHBondContact O-N 2.94Å; M2625-S2628 PolarHBondContact O-OG 3.47Å
2626	A	42.3	Very low	36.7	Very low	86.8 Å²	86.8	135.6 Å²	135.6	72%	0.717	73%	0.725	S	S	*	*	S	Bend	trans	-87	72.4	170.3	0	0	0	0	0	112	E2623 S2624 S2628 Q2629 S2630	E2623-A2626 CarbonylContact O-C 3.28Å; E2623-A2626 WeakPolarHBondContact O-CA 3.34Å; E2623-A2626 WeakPolarHBondContact O-CB 3.28Å; E2623-A2626 PolarHBondContact O-N 3.35Å; S2624-A2626 VanDerWaalsContact C-N 3.34Å; A2626-S2628 VanDerWaalsContact C-N 3.27Å; A2626-S2628 PolarHBondContact O-N 2.86Å; A2626-Q2629 PolarHBondContact O-N 2.88Å; A2626-S2630 PolarHBondContact O-N 3.23Å
2627	E	37	Very low	36.5	Very low	162.2 Å²	162.2	134.9 Å²	134.9	76%	0.758	72%	0.722	S	S	*	*			trans	-88.6	146.4	-179.4	-81.1	-174.9	145.9	0	0	113.2	E2623 S2624 M2625 Q2629 S2630 N2631	E2623-E2627 PolarHBondContact O-N 3Å; S2624-E2627 PolarHBondContact O-N 3.25Å; M2625-E2627 PolarHBondContact O-N 2.94Å; E2627-Q2629 HydrophobicContact CB-CG 4.45Å; E2627-Q2629 PolarHBondContact O-N 3.22Å; E2627-Q2629 PolarHBondContact OE2-NE2 3.48Å; E2627-S2630 WeakPolarHBondContact CA-OG 3.34Å; E2627-S2630 PolarHBondContact O-N 3.04Å; E2627-S2630 PolarHBondContact O-OG 3.36Å; E2627-N2631 PolarHBondContact O-N 3.02Å; E2627-N2631 PolarHBondContact O-ND2 3.44Å
2628	S	38.1	Very low	36.3	Very low	97.6 Å²	97.6	132.2 Å²	132.2	68%	0.683	72%	0.721	S	S	*	*			trans	-96.2	67.7	168.9	65.4	0	0	0	0	113.6	S2624 M2625 A2626	S2624-S2628 PolarHBondContact O-N 3.44Å; M2625-S2628 PolarHBondContact O-OG 3.47Å; A2626-S2628 VanDerWaalsContact C-N 3.27Å; A2626-S2628 PolarHBondContact O-N 2.86Å
2629	Q	35.7	Very low	36	Very low	163 Å²	163	132.3 Å²	132.3	76%	0.762	73%	0.726	S	S	*	*			trans	-131.7	73.1	159.8	-61.1	-107	2.5	0	0	114.3	A2626 E2627 N2631 L2632	A2626-Q2629 PolarHBondContact O-N 2.88Å; E2627-Q2629 HydrophobicContact CB-CG 4.45Å; E2627-Q2629 PolarHBondContact O-N 3.22Å; E2627-Q2629 PolarHBondContact OE2-NE2 3.48Å; Q2629-N2631 PolarHBondContact O-N 3.03Å; Q2629-L2632 PolarHBondContact O-N 2.93Å
2630	S	32.5	Very low	35.6	Very low	91.4 Å²	91.4	129.2 Å²	129.2	64%	0.639	72%	0.724	S	S	*	*			trans	-128.5	88.1	152.9	67	0	0	0	0	113.6	A2626 E2627 L2632 S2633	A2626-S2630 PolarHBondContact O-N 3.23Å; E2627-S2630 WeakPolarHBondContact CA-OG 3.34Å; E2627-S2630 PolarHBondContact O-N 3.04Å; E2627-S2630 PolarHBondContact O-OG 3.36Å; S2630-L2632 PolarHBondContact O-N 3.45Å; S2630-S2633 WeakPolarHBondContact O-CB 3.48Å; S2630-S2633 PolarHBondContact O-N 3.47Å; S2630-S2633 PolarHBondContact O-OG 2.92Å
2631	N	32.1	Very low	35.3	Very low	138.6 Å²	138.6	129.1 Å²	129.1	74%	0.741	72%	0.722	S	S	*	*			trans	-51.4	88.6	159.4	-94.1	-31.9	0	0	0	116	E2627 Q2629 S2633	E2627-N2631 PolarHBondContact O-N 3.02Å; E2627-N2631 PolarHBondContact O-ND2 3.44Å; Q2629-N2631 PolarHBondContact O-N 3.03Å; N2631-S2633 VanDerWaalsContact C-N 3.28Å; N2631-S2633 PolarHBondContact O-N 3.42Å
2632	L	33.4	Very low	34.9	Very low	156.8 Å²	156.8	127.8 Å²	127.8	82%	0.821	72%	0.719	S	S	*	*			trans	143.9	93.2	152.9	-79.6	154.8	0	0	0	114.5	Q2629 S2630	Q2629-L2632 PolarHBondContact O-N 2.93Å; S2630-L2632 PolarHBondContact O-N 3.45Å
2633	S	33.7	Very low	34.7	Very low	92.8 Å²	92.8	125.7 Å²	125.7	65%	0.649	71%	0.714	S	S	*	*			trans	-179.9	121.4	149.7	-65.6	0	0	0	0	112.3	S2630 N2631 V2635 V2636	S2630-S2633 WeakPolarHBondContact O-CB 3.48Å; S2630-S2633 PolarHBondContact O-N 3.47Å; S2630-S2633 PolarHBondContact O-OG 2.92Å; N2631-S2633 VanDerWaalsContact C-N 3.28Å; N2631-S2633 PolarHBondContact O-N 3.42Å; S2633-V2635 PolarHBondContact O-N 3.06Å; S2633-V2636 PolarHBondContact O-N 3.11Å
2634	D	35.3	Very low	34.2	Very low	129.4 Å²	129.4	124.6 Å²	124.6	69%	0.692	71%	0.714	S	S	*	*			trans	-131.7	111.7	152.7	-93.3	-31.2	0	0	0	115	V2636	D2634-V2636 HydrophobicContact CB-CG2 4.42Å; D2634-V2636 PolarHBondContact O-N 2.88Å; D2634-V2636 VanDerWaalsContact O-N 3.12Å; D2634-V2636 VanDerWaalsContact OD1-CG2 3.25Å; D2634-V2636 WeakPolarHBondContact OD1-CG2 3.44Å
2635	V	36.1	Very low	33.9	Very low	138.4 Å²	138.4	124.4 Å²	124.4	84%	0.839	72%	0.717	S	S	*	*	S	Bend	trans	-114.1	66.6	159.5	179.8	0	0	0	0	111	S2633	S2633-V2635 PolarHBondContact O-N 3.06Å
2636	V	33.8	Very low	33.6	Very low	100.2 Å²	100.2	122.5 Å²	122.5	61%	0.607	71%	0.71	S	S	*	*			trans	-135.7	101.4	153.1	-176.1	0	0	0	0	111.7	S2633 D2634 H3037 Q3038	S2633-V2636 PolarHBondContact O-N 3.11Å; D2634-V2636 HydrophobicContact CB-CG2 4.42Å; D2634-V2636 PolarHBondContact O-N 2.88Å; D2634-V2636 VanDerWaalsContact O-N 3.12Å; D2634-V2636 VanDerWaalsContact OD1-CG2 3.25Å; D2634-V2636 WeakPolarHBondContact OD1-CG2 3.44Å; V2636-H3037 PolarHBondContact N-O 3.4Å; V2636-Q3038 HydrophobicContact CB-CG 4.08Å; V2636-Q3038 HydrophobicContact CG1-CG 3.75Å; V2636-Q3038 HydrophobicContact CG2-CB 4.24Å; V2636-Q3038 HydrophobicContact CG2-CG 3.63Å
2637	N	31.5	Very low	33.1	Very low	123.2 Å²	123.2	129.2 Å²	129.2	66%	0.659	72%	0.717	S	S	*	*			trans	147.4	100.4	145.3	-93.7	-26.6	0	0	0	115.5	H3034 L3035 H3036	N2637-H3034 VanDerWaalsContact C-CB 3.48Å; N2637-H3034 WeakPolarHBondContact O-CB 3.37Å; N2637-L3035 CarbonylContact O-C 2.89Å; N2637-L3035 VanDerWaalsContact O-CA 3.29Å; N2637-L3035 WeakPolarHBondContact O-CA 3.45Å; N2637-L3035 PolarHBondContact O-N 3.34Å; N2637-H3036 VanDerWaalsContact C-ND1 3.33Å; N2637-H3036 VanDerWaalsContact CA-CG 3.44Å; N2637-H3036 VanDerWaalsContact O-CA 3.23Å; N2637-H3036 WeakPolarHBondContact O-CA 3.35Å; N2637-H3036 VanDerWaalsContact O-CB 3.26Å; N2637-H3036 WeakPolarHBondContact O-CB 3.27Å; N2637-H3036 PolarHBondContact O-N 3.22Å; N2637-H3036 VanDerWaalsContact O-N 3.08Å; N2637-H3036 PolarHBondContact OD1-CE1 3.06Å; N2637-H3036 PolarHBondContact OD1-ND1 3.19Å
2638	N	31.2	Very low	32.7	Very low	145.6 Å²	145.6	127.6 Å²	127.6	78%	0.779	71%	0.713	S	S	*	*			trans	-169.2	101.6	145.9	-94.4	-31.5	0	0	0	114.8	H3034 H3036	N2638-H3034 PolarHBondContact O-CD2 2.94Å; N2638-H3036 HydrophobicContact CB-CB 3.91Å; N2638-H3036 VanDerWaalsContact CB-ND1 3.29Å; N2638-H3036 WeakPolarHBondContact CB-ND1 3.47Å; N2638-H3036 PolarHBondContact N-ND1 3.28Å; N2638-H3036 PolarHBondContact ND2-ND1 2.79Å; N2638-H3036 WeakPolarHBondContact OD1-CB 3.33Å
2639	S	32.2	Very low	32.4	Very low	106.4 Å²	106.4	127.5 Å²	127.5	74%	0.744	71%	0.713	S	S	*	*			trans	104.9	103.9	135.9	66.4	0	0	0	0	115.3	H3033 H3034	S2639-H3033 CarbonylContact O-C 3.41Å; S2639-H3034 VanDerWaalsContact C-N 3.29Å; S2639-H3034 PolarHBondContact O-N 3.01Å
2640	G	31.1	Very low	32.1	Very low	61.4 Å²	61.4	129.7 Å²	129.7	63%	0.633	71%	0.714	S	S	*	*			trans	65.7	133.8	145.5	0	0	0	0	0	116.6	H3033	G2640-H3033 PolarHBondContact N-CE1 3.08Å; G2640-H3033 PolarHBondContact N-ND1 2.96Å; G2640-H3033 VanDerWaalsContact O-CA 3.27Å; G2640-H3033 WeakPolarHBondContact O-CA 3.4Å
2641	I	32.6	Very low	32.4	Very low	134.2 Å²	134.2	131 Å²	131	69%	0.688	72%	0.721	S	S	*	*				-164.9	108.2	57.5	-84.3	157.4	0	0	0	111.7	K2643 L3031 H3033	I2641-K2643 HydrophobicContact CG2-CB 4.45Å; I2641-K2643 HydrophobicContact CG2-CD 4.3Å; I2641-K2643 HydrophobicContact CG2-CG 4.12Å; I2641-K2643 PolarHBondContact O-N 3.03Å; I2641-L3031 HydrophobicContact CB-CD2 3.83Å; I2641-L3031 HydrophobicContact CB-CG 4.15Å; I2641-L3031 HydrophobicContact CG2-CD2 3.81Å; I2641-L3031 WeakPolarHBondContact O-CD2 3.49Å; I2641-L3031 WeakPolarHBondContact O-CG 3.29Å; I2641-H3033 PolarHBondContact N-CD2 2.76Å
2642	I	32.1	Very low	32.3	Very low	135.6 Å²	135.6	127.8 Å²	127.8	70%	0.695	72%	0.72	S	S	*	*			trans	62.5	104.6	148.7	-62.4	174.1	0	0	0	115.3	D3032	I2642-D3032 PolarHBondContact N-OD1 2.95Å
2643	K	33.3	Very low	32.2	Very low	165.8 Å²	165.8	127.6 Å²	127.6	72%	0.721	72%	0.719	S	S	*	*				74.4	110.8	121.4	-74.2	170.6	-167.8	175.5	0	116.5	I2641 S3030 L3031 D3032	I2641-K2643 HydrophobicContact CG2-CB 4.45Å; I2641-K2643 HydrophobicContact CG2-CD 4.3Å; I2641-K2643 HydrophobicContact CG2-CG 4.12Å; I2641-K2643 PolarHBondContact O-N 3.03Å; K2643-S3030 PolarHBondContact NZ-OG 2.84Å; K2643-L3031 PolarHBondContact NZ-O 3.09Å; K2643-D3032 PolarHBondContact N-OD2 3.3Å
2644	N	30.9	Very low	32.1	Very low	146.2 Å²	146.2	132.3 Å²	132.3	78%	0.782	73%	0.728	S	S	*	*			trans	-95.8	127.8	134.5	-86.4	-24.8	0	0	0	112.3
2645	A	30.8	Very low	31.8	Very low	85.4 Å²	85.4	130.2 Å²	130.2	71%	0.706	73%	0.728	S	S	*	*				128.9	103.7	121.9	0	0	0	0	0	113.1
2646	N	29.2	Very low	31.6	Very low	111.4 Å²	111.4	129.7 Å²	129.7	60%	0.596	73%	0.726	S	S	*	*				119.7	119.8	76.2	-147.4	-18.6	0	0	0	114.9	N2648	N2646-N2648 PolarHBondContact OD1-ND2 2.92Å; N2646-N2648 VanDerWaalsContact OD1-ND2 3.09Å
2647	R	31.7	Very low	31.4	Very low	227 Å²	227	130.3 Å²	130.3	86%	0.857	74%	0.735	S	S	*	*			trans	-137.9	124.6	157.8	-72.9	176.2	-173.8	-169.7	0.5	112.5
2648	N	30.4	Very low	31.5	Very low	128.2 Å²	128.2	129.3 Å²	129.3	69%	0.686	74%	0.737	S	S	*	*			cis	-144	145.5	14.8	-94.7	-38.8	0	0	0	111.3	N2646	N2646-N2648 PolarHBondContact OD1-ND2 2.92Å; N2646-N2648 VanDerWaalsContact OD1-ND2 3.09Å
2649	S	30.2	Very low	31.7	Very low	96 Å²	96	130.9 Å²	130.9	67%	0.671	74%	0.74	S	S	*	*			trans	46.5	131.2	146.2	38.2	0	0	0	0	116.4
2650	R	29.1	Very low	31.7	Very low	209.2 Å²	209.2	133.3 Å²	133.3	79%	0.789	74%	0.743	S	S	*	*				111.4	140.5	70.7	-142.5	-174.2	174.7	-156.8	-3.3	114.2	S2795 P2797 V2798	R2650-S2795 PolarHBondContact NH2-O 3.28Å; R2650-P2797 HydrophobicContact CB-CB 4.28Å; R2650-P2797 HydrophobicContact CB-CG 4.32Å; R2650-P2797 VanDerWaalsContact CD-CB 3.46Å; R2650-V2798 HydrophobicContact CB-CG2 4.44Å
2651	P	39.1	Very low	31.8	Very low	120.2 Å²	120.2	136.3 Å²	136.3	78%	0.781	75%	0.745	S	S	*	*				-115.1	159.1	-54.3	32.7	-18.6	0	0	0	113.6
2652	G	29.7	Very low	32.1	Very low	70.8 Å²	70.8	135.4 Å²	135.4	73%	0.73	75%	0.747	S	S	*	*			trans	-149	152.4	169.8	0	0	0	0	0	111.8	F2654	G2652-F2654 PolarHBondContact O-N 3.39Å
2653	L	32.5	Very low	32	Very low	151.4 Å²	151.4	139.6 Å²	139.6	79%	0.793	76%	0.755	S	S	*	*			trans	-142.8	156.3	166.4	-107	155.1	0	0	0	109.8
2654	F	30.9	Very low	32.1	Very low	191.4 Å²	191.4	138.4 Å²	138.4	84%	0.839	76%	0.756	S	S	*	*			trans	-174.6	145.6	171.5	-75.7	-67.3	0	0	0	113.1	G2652	G2652-F2654 PolarHBondContact O-N 3.39Å
2655	A	29.4	Very low	32.2	Very low	85.2 Å²	85.2	141.3 Å²	141.3	70%	0.704	76%	0.756	S	S	*	*			trans	-133.8	151.2	145.1	0	0	0	0	0	111.3
2656	T	31.9	Very low	32.2	Very low	129.8 Å²	129.8	146.6 Å²	146.6	80%	0.796	76%	0.764	S	S	*	*			trans	160.1	140.1	146.4	43.4	0	0	0	0	114
2657	S	30.1	Very low	32.3	Very low	112.4 Å²	112.4	147.2 Å²	147.2	79%	0.786	77%	0.771	S	S	*	*			trans	-144.6	151.3	166.8	95.2	0	0	0	0	114.2	Q2659	S2657-Q2659 PolarHBondContact O-N 3.18Å
2658	S	32.9	Very low	32.1	Very low	101.2 Å²	101.2	146.5 Å²	146.5	71%	0.708	77%	0.77	S	S	*	*				-155	144.6	126.1	56.6	0	0	0	0	112.4
2659	Q	35.3	Very low	32	Very low	180 Å²	180	149.2 Å²	149.2	84%	0.841	78%	0.778	S	S	*	*			trans	177.6	127.1	157.7	-79.5	164.8	-29.3	0	0	115.3	S2657	S2657-Q2659 PolarHBondContact O-N 3.18Å
2660	I	32.6	Very low	32	Very low	155.8 Å²	155.8	150 Å²	150	80%	0.799	78%	0.779	S	S	*	*			trans	-156.7	143.6	155.2	-66	136.4	0	0	0	111.8
2661	D	34	Very low	32.3	Very low	125.2 Å²	125.2	145.8 Å²	145.8	67%	0.67	78%	0.779	S	S	*	*			trans	-106.6	147.9	170.5	-169.5	27.2	0	0	0	112.5	R2663	D2661-R2663 PolarHBondContact O-N 3.35Å; D2661-R2663 VanDerWaalsContact OD1-CB 3.27Å; D2661-R2663 WeakPolarHBondContact OD1-CB 3.31Å; D2661-R2663 WeakPolarHBondContact OD1-CG 3.27Å; D2661-R2663 PolarHBondContact OD1-N 3Å; D2661-R2663 VanDerWaalsContact OD1-N 3.14Å
2662	P	37.8	Very low	31.9	Very low	115 Å²	115	147 Å²	147	75%	0.747	78%	0.777	S	S	*	*			trans	-111.7	121.6	152.8	26.9	-15.9	0	0	0	117.2	D2664	P2662-D2664 PolarHBondContact O-N 2.89Å
2663	R	30.8	Very low	31.8	Very low	225 Å²	225	148.7 Å²	148.7	85%	0.849	77%	0.774	S	S	*	*			trans	-90.1	84.8	169	-66.4	179.3	-176.4	-179.4	0.9	116.2	D2661	D2661-R2663 PolarHBondContact O-N 3.35Å; D2661-R2663 VanDerWaalsContact OD1-CB 3.27Å; D2661-R2663 WeakPolarHBondContact OD1-CB 3.31Å; D2661-R2663 WeakPolarHBondContact OD1-CG 3.27Å; D2661-R2663 PolarHBondContact OD1-N 3Å; D2661-R2663 VanDerWaalsContact OD1-N 3.14Å
2664	D	34.2	Very low	31.8	Very low	140.6 Å²	140.6	149.4 Å²	149.4	75%	0.752	77%	0.773	S	S	*	*			trans	-139.3	117.2	157.8	-141.5	2.4	0	0	0	115.5	P2662	P2662-D2664 PolarHBondContact O-N 2.89Å
2665	R	32.6	Very low	31.7	Very low	206.8 Å²	206.8	147.4 Å²	147.4	78%	0.78	77%	0.766	S	S	*	*			trans	-148.7	97.4	174.5	-99.8	-178.8	-90.2	-169.6	0.4	119.3
2666	F	31.1	Very low	31.7	Very low	196.2 Å²	196.2	151.6 Å²	151.6	86%	0.861	77%	0.771	S	S	*	*			trans	127.5	113.9	140.9	-82.1	-66.2	0	0	0	118.5
2667	V	31.6	Very low	31.7	Very low	122.8 Å²	122.8	150 Å²	150	74%	0.744	77%	0.766	S	S	*	*			trans	-174.9	116.9	151.7	172.8	0	0	0	0	113.7
2668	Y	27.5	Very low	31.7	Very low	213.4 Å²	213.4	151.8 Å²	151.8	84%	0.837	77%	0.765	S	S	*	*			trans	32.5	133.6	156.5	-83.5	-104.6	0	0	0	119.5	T2670	Y2668-T2670 HydrophobicContact CD1-CG2 4.29Å
2669	Q	28.5	Very low	31.6	Very low	184 Å²	184	153.1 Å²	153.1	86%	0.86	77%	0.765	S	S	*	*			trans	-178.9	118.4	146.6	-152.7	140.5	41.8	0	0	115.6
2670	T	31.5	Very low	31.4	Very low	114.2 Å²	114.2	149.4 Å²	149.4	70%	0.701	75%	0.754	S	S	*	*			trans	-90	145.3	170.2	17.4	0	0	0	0	114.5	Y2668 I2672	Y2668-T2670 HydrophobicContact CD1-CG2 4.29Å; T2670-I2672 PolarHBondContact O-N 3.27Å
2671	P	33.4	Very low	31.3	Very low	119.6 Å²	119.6	148.2 Å²	148.2	78%	0.777	75%	0.749	S	S	*	*			trans	-99	144.2	156.6	24.1	-13.7	0	0	0	112.4
2672	I	30.6	Very low	31.2	Very low	146 Å²	146	150 Å²	150	75%	0.749	75%	0.754	S	S	*	*			trans	46.7	118.8	149.4	-47.6	176.1	0	0	0	114.4	T2670	T2670-I2672 PolarHBondContact O-N 3.27Å
2673	T	29.6	Very low	30.9	Very low	106.4 Å²	106.4	150 Å²	150	65%	0.653	75%	0.752	S	S	*	*				78.3	139.4	118.2	12.4	0	0	0	0	118.2
2674	Q	31.7	Very low	30.9	Very low	166.4 Å²	166.4	148.9 Å²	148.9	78%	0.778	75%	0.753	S	S	*	*			trans	142	136.9	134.8	-77.9	174.3	38.8	0	0	112.3
2675	Q	29.7	Very low	30.7	Very low	149.6 Å²	149.6	146 Å²	146	70%	0.699	76%	0.756	S	S	*	*			cis	159.1	138	24.6	-103.7	-179	6.9	0	0	112.1
2676	Q	29.2	Very low	30.5	Very low	172.4 Å²	172.4	143.4 Å²	143.4	81%	0.806	76%	0.758	S	S	*	*			trans	72.5	126.3	137.7	-66.2	178.1	7.4	0	0	116.8
2677	S	30.6	Very low	30.8	Very low	97.8 Å²	97.8	138.7 Å²	138.7	68%	0.684	75%	0.747	S	S	*	*			cis	-173.1	139.1	24	85.1	0	0	0	0	109.8
2678	L	30.2	Very low	30.7	Very low	149.2 Å²	149.2	139.9 Å²	139.9	78%	0.781	75%	0.749	S	S	*	*			trans	85.6	137	138.9	-107.9	73.9	0	0	0	112.8	T2680	L2678-T2680 PolarHBondContact O-N 3.27Å
2679	D	30.4	Very low	30.9	Very low	129.2 Å²	129.2	134.5 Å²	134.5	69%	0.691	74%	0.743	S	S	*	*			cis	-155	150.1	33.8	-111.8	-19.1	0	0	0	114
2680	T	31.4	Very low	31	Very low	102.4 Å²	102.4	132.9 Å²	132.9	63%	0.628	74%	0.741	S	S	*	*				20.9	145.3	108.5	9.9	0	0	0	0	118.7	L2678 Q2682	L2678-T2680 PolarHBondContact O-N 3.27Å; T2680-Q2682 HydrophobicContact CG2-CG 4.34Å
2681	N	30.1	Very low	31.1	Very low	129.6 Å²	129.6	135.2 Å²	135.2	69%	0.693	75%	0.745	S	S	*	*			trans	104.7	135.3	135.9	-78.8	-51.8	0	0	0	116.4
2682	Q	33	Very low	31.1	Very low	164 Å²	164	135.8 Å²	135.8	77%	0.766	74%	0.742	S	S	*	*				-155.1	141.6	106.8	-82.9	-174.9	52.6	0	0	112.2	T2680	T2680-Q2682 HydrophobicContact CG2-CG 4.34Å
2683	T	30.4	Very low	31.1	Very low	115.2 Å²	115.2	135.3 Å²	135.3	71%	0.707	74%	0.739	S	S	*	*			cis	153.4	123.5	49.1	-77.6	0	0	0	0	114.4
2684	K	31.2	Very low	31.2	Very low	202 Å²	202	134 Å²	134	88%	0.878	74%	0.735	S	S	*	*			trans	1.2	130.8	156	-71.8	178.8	178.3	178.6	0	117.4
2685	G	30.8	Very low	31.2	Very low	79 Å²	79	134.6 Å²	134.6	81%	0.814	74%	0.735	S	S	*	*			trans	166.8	117.9	150.6	0	0	0	0	0	113.7
2686	N	28.4	Very low	31.4	Very low	152.4 Å²	152.4	136.2 Å²	136.2	82%	0.815	74%	0.739	S	S	*	*			trans	-107	148.2	171.1	-160.5	15.1	0	0	0	109.9	N2688	N2686-N2688 PolarHBondContact OD1-N 3.38Å
2687	P	37.9	Very low	31.5	Very low	97 Å²	97	135.1 Å²	135.1	63%	0.63	74%	0.738	S	S	*	*				-123	157.2	83.7	34.2	-20.9	0	0	0	113.4
2688	N	29.9	Very low	31.5	Very low	147.4 Å²	147.4	136.7 Å²	136.7	79%	0.788	74%	0.738	S	S	*	*			trans	74.7	116	156.8	-63.2	-10.7	0	0	0	116.4	N2686	N2686-N2688 PolarHBondContact OD1-N 3.38Å
2689	S	31.1	Very low	31.7	Very low	101 Å²	101	139 Å²	139	71%	0.706	74%	0.741	S	S	*	*				153.1	146.7	102.1	68.5	0	0	0	0	112.3	M2691	S2689-M2691 PolarHBondContact O-N 3.11Å
2690	D	31	Very low	31.6	Very low	151 Å²	151	139.1 Å²	139.1	81%	0.807	74%	0.742	S	S	*	*			trans	-108.6	148.2	132.6	-94.7	-47.1	0	0	0	113.6
2691	M	32.6	Very low	31.6	Very low	161.6 Å²	161.6	138.1 Å²	138.1	80%	0.796	74%	0.739	S	S	*	*			trans	-116.6	122.6	156.9	-120.3	-177.2	-19.4	0	0	116	S2689 I2693	S2689-M2691 PolarHBondContact O-N 3.11Å; M2691-I2693 HydrophobicContact CG-CD1 4.47Å; M2691-I2693 HydrophobicContact CG-CG1 4.49Å
2692	D	32.5	Very low	31.7	Very low	132.4 Å²	132.4	142.5 Å²	142.5	71%	0.708	75%	0.746	S	S	*	*			trans	177.4	139.1	139.5	-130.3	-11.4	0	0	0	115.4
2693	I	31.5	Very low	31.5	Very low	135.6 Å²	135.6	141.6 Å²	141.6	70%	0.695	75%	0.745	S	S	*	*			trans	101.6	96.7	152.1	-66.3	163.2	0	0	0	115.1	M2691 K2695	M2691-I2693 HydrophobicContact CG-CD1 4.47Å; M2691-I2693 HydrophobicContact CG-CG1 4.49Å; I2693-K2695 PolarHBondContact O-N 3.18Å
2694	S	31.3	Very low	31.5	Very low	79.4 Å²	79.4	144.6 Å²	144.6	56%	0.555	75%	0.749	S	S	*	*				45.4	128.7	113.7	-75.7	0	0	0	0	118.2
2695	K	32.9	Very low	31.3	Very low	179.4 Å²	179.4	139.8 Å²	139.8	78%	0.78	74%	0.741	S	S	*	*			trans	78.9	126.4	131.1	-66.8	168.5	-174.7	160.9	0	118.2	I2693 L2697	I2693-K2695 PolarHBondContact O-N 3.18Å; K2695-L2697 VanDerWaalsContact C-N 3.3Å; K2695-L2697 PolarHBondContact O-N 3.44Å; K2695-L2697 VanDerWaalsContact O-N 3.09Å
2696	K	32.4	Very low	31.3	Very low	182.4 Å²	182.4	141.9 Å²	141.9	79%	0.793	74%	0.738	S	S	*	*				-157.2	119.3	125.7	-120.3	-176.3	179.9	-179.3	0	113.6	T3122	K2696-T3122 WeakPolarHBondContact CA-OG1 3.22Å; K2696-T3122 HydrophobicContact CB-CG2 3.82Å; K2696-T3122 HydrophobicContact CG-CG2 4.2Å; K2696-T3122 PolarHBondContact N-OG1 3.48Å
2697	L	31.3	Very low	31.3	Very low	149.6 Å²	149.6	141.7 Å²	141.7	78%	0.783	74%	0.735	S	S	*	*				170.2	138.2	124.5	-145.5	83.3	0	0	0	112.6	K2695 K2699	K2695-L2697 VanDerWaalsContact C-N 3.3Å; K2695-L2697 PolarHBondContact O-N 3.44Å; K2695-L2697 VanDerWaalsContact O-N 3.09Å; L2697-K2699 PolarHBondContact O-N 3.49Å
2698	I	32.2	Very low	30.9	Very low	130.8 Å²	130.8	143.6 Å²	143.6	67%	0.671	74%	0.74	S	S	*	*			trans	-147.8	125.5	161.6	-77.5	165.4	0	0	0	111.6	D2700	I2698-D2700 HydrophobicContact CG2-CB 4.34Å
2699	K	32.7	Very low	31.1	Very low	197 Å²	197	141.3 Å²	141.3	86%	0.857	73%	0.733	S	S	*	*			trans	160.7	131	143.5	-88.8	176.8	179.2	-179	0	114	L2697	L2697-K2699 PolarHBondContact O-N 3.49Å
2700	D	30.2	Very low	31	Very low	131.6 Å²	131.6	140.7 Å²	140.7	70%	0.704	73%	0.729	S	S	*	*			trans	-83.7	147.7	168.7	-136.6	-11.4	0	0	0	112.1	I2698	I2698-D2700 HydrophobicContact CG2-CB 4.34Å
2701	S	31.4	Very low	30.9	Very low	81.8 Å²	81.8	138.3 Å²	138.3	57%	0.572	72%	0.724	S	S	*	*			trans	-158.3	124.2	139.1	64	0	0	0	0	111.5
2702	R	31	Very low	30.8	Very low	221 Å²	221	136.2 Å²	136.2	83%	0.834	72%	0.721	S	S	*	*			trans	153.9	118.8	140	-72.6	171	-105.6	-177.5	-0.9	114.1
2703	L	29	Very low	30.6	Very low	145 Å²	145	136.4 Å²	136.4	76%	0.759	72%	0.722	S	S	*	*				-162.9	122.8	98.9	-82.8	173.4	0	0	0	110.9
2704	F	30.2	Very low	30.5	Very low	178.4 Å²	178.4	137.2 Å²	137.2	78%	0.782	73%	0.726	S	S	*	*				82.3	125.6	129.2	-74.8	-80.8	0	0	0	115.5
2705	S	27.7	Very low	30.2	Very low	101.8 Å²	101.8	139.9 Å²	139.9	71%	0.712	73%	0.732	S	S	*	*				112.1	143.5	94.4	-122.7	0	0	0	0	115.9	I2707	S2705-I2707 PolarHBondContact O-N 2.68Å
2706	V	29.1	Very low	30	Very low	123.4 Å²	123.4	139.3 Å²	139.3	75%	0.748	73%	0.732	S	S	*	*			trans	163.2	133.2	147.1	-179.6	0	0	0	0	111.9	D2708	V2706-D2708 PolarHBondContact O-N 3.39Å
2707	I	29.3	Very low	29.7	Very low	148.6 Å²	148.6	136.2 Å²	136.2	76%	0.762	72%	0.724	S	S	*	*				70.9	131.4	121.1	-62.6	167.5	0	0	0	111.5	S2705	S2705-I2707 PolarHBondContact O-N 2.68Å
2708	D	29.6	Very low	29.4	Very low	136.8 Å²	136.8	138 Å²	138	73%	0.732	73%	0.726	S	S	*	*				-7.6	151.6	117.6	-138.6	5.8	0	0	0	115.9	V2706 S2710	V2706-D2708 PolarHBondContact O-N 3.39Å; D2708-S2710 PolarHBondContact OD1-N 3.19Å
2709	P	34.2	Very low	29.2	Very low	98.8 Å²	98.8	136.8 Å²	136.8	64%	0.642	72%	0.724	S	S	*	*				-124.7	138.2	53.4	31.7	-14.5	0	0	0	116.1	S2711	P2709-S2711 PolarHBondContact O-N 3.11Å; P2709-S2711 VanDerWaalsContact O-N 3.15Å
2710	S	29.1	Very low	28.9	Very low	89.2 Å²	89.2	135.1 Å²	135.1	62%	0.624	72%	0.72	S	S	*	*			trans	7.3	127.6	148.5	74.9	0	0	0	0	118.6	D2708 T2712	D2708-S2710 PolarHBondContact OD1-N 3.19Å; S2710-T2712 PolarHBondContact O-N 2.83Å
2711	S	29.6	Very low	28.9	Very low	98.8 Å²	98.8	134.1 Å²	134.1	69%	0.691	72%	0.719	S	S	*	*			trans	23.7	129.1	158.7	46.3	0	0	0	0	118.1	P2709	P2709-S2711 PolarHBondContact O-N 3.11Å; P2709-S2711 VanDerWaalsContact O-N 3.15Å
2712	T	30	Very low	28.8	Very low	119.4 Å²	119.4	137.6 Å²	137.6	73%	0.733	73%	0.731	S	S	*	*			trans	168	143.2	135.6	21.6	0	0	0	0	116.2	S2710	S2710-T2712 PolarHBondContact O-N 2.83Å
2713	N	27	Very low	28.8	Very low	136 Å²	136	130.6 Å²	130.6	73%	0.727	73%	0.727	S	S	*	*			trans	-41.2	150.9	164.1	-64.5	-52.5	0	0	0	114.6	I2715	N2713-I2715 HydrophobicContact CB-CD1 4.45Å
2714	I	29.9	Very low	28.7	Very low	151.4 Å²	151.4	132.1 Å²	132.1	78%	0.776	73%	0.73	S	S	*	*				156	118.8	127.5	-78.8	157.4	0	0	0	110.5	H2716	I2714-H2716 PolarHBondContact O-N 3.12Å
2715	I	25.3	Very low	28.6	Very low	135.8 Å²	135.8	130.5 Å²	130.5	70%	0.696	73%	0.729	S	S	*	*			trans	24.4	110.5	131.7	-59.6	163.6	0	0	0	112	N2713 N2717	N2713-I2715 HydrophobicContact CB-CD1 4.45Å; I2715-N2717 WeakPolarHBondContact CG2-OD1 3.31Å
2716	H	28.7	Very low	28.7	Very low	167.6 Å²	167.6	132.4 Å²	132.4	78%	0.776	73%	0.73	S	S	*	*			trans	-152	120.3	139.6	-108.2	-90.7	0	0	0	113.4	I2714	I2714-H2716 PolarHBondContact O-N 3.12Å
2717	N	27.3	Very low	28.7	Very low	116.6 Å²	116.6	132.7 Å²	132.7	62%	0.624	73%	0.728	S	S	*	*			trans	29.2	120.3	133.6	-67.9	-11	0	0	0	118.5	I2715 V2719	I2715-N2717 WeakPolarHBondContact CG2-OD1 3.31Å; N2717-V2719 HydrophobicContact CB-CG2 4.26Å
2718	F	24.7	Very low	28.8	Very low	187.2 Å²	187.2	131.4 Å²	131.4	82%	0.821	73%	0.727	S	S	*	*			trans	20.5	120.1	131	-84	-90.5	0	0	0	116
2719	V	27	Very low	28.8	Very low	105.8 Å²	105.8	131.9 Å²	131.9	64%	0.641	73%	0.729	S	S	*	*				92	133.4	113.3	162.9	0	0	0	0	112	N2717	N2717-V2719 HydrophobicContact CB-CG2 4.26Å
2720	E	27.6	Very low	28.5	Very low	161.4 Å²	161.4	130.4 Å²	130.4	75%	0.754	73%	0.732	S	S	*	*				137.6	136	123.2	-99.1	151.8	-147.2	0	0	116.5
2721	T	29.3	Very low	28.6	Very low	112.2 Å²	112.2	133.6 Å²	133.6	69%	0.688	74%	0.741	S	S	*	*			trans	78	133.3	131.4	45.3	0	0	0	0	117.4
2722	N	29.6	Very low	28.5	Very low	154.2 Å²	154.2	136.5 Å²	136.5	83%	0.825	74%	0.743	S	S	*	*			trans	69.5	126.7	135.7	-61.5	-38.9	0	0	0	115.9
2723	G	30	Very low	28.4	Very low	74 Å²	74	137.4 Å²	137.4	76%	0.763	74%	0.743	S	S	*	*			trans	145.7	121.3	138.9	0	0	0	0	0	115.3
2724	Q	27.6	Very low	28.5	Very low	176.2 Å²	176.2	137.7 Å²	137.7	82%	0.823	74%	0.739	S	S	*	*			trans	68.8	137.9	152.9	-85.6	-173.8	-29	0	0	118.6
2725	L	27.6	Very low	28.5	Very low	144.6 Å²	144.6	135.4 Å²	135.4	76%	0.757	74%	0.736	S	S	*	*				164	141.7	122.4	-118.6	83.4	0	0	0	113.4
2726	I	30.4	Very low	28.7	Very low	142.8 Å²	142.8	135.6 Å²	135.6	73%	0.732	74%	0.739	S	S	*	*			trans	87.4	110.1	149.1	-59.2	167.1	0	0	0	114.6	T2728	I2726-T2728 HydrophobicContact CG2-CG2 3.64Å
2727	N	28.2	Very low	28.8	Very low	129.6 Å²	129.6	132.7 Å²	132.7	69%	0.693	74%	0.738	S	S	*	*			trans	-51.4	126.6	145.9	-161	9.4	0	0	0	114.7	N2729	N2727-N2729 PolarHBondContact OD1-N 3.12Å
2728	T	32	Very low	28.9	Very low	120.6 Å²	120.6	135.8 Å²	135.8	74%	0.74	75%	0.748	S	S	*	*				-162.3	121.4	112.5	35.2	0	0	0	0	111.3	I2726	I2726-T2728 HydrophobicContact CG2-CG2 3.64Å
2729	N	29.9	Very low	29.4	Very low	147.6 Å²	147.6	132.2 Å²	132.2	79%	0.789	74%	0.743	S	S	*	*				-95.1	144.3	127.5	-78.1	-34.7	0	0	0	110.8	N2727	N2727-N2729 PolarHBondContact OD1-N 3.12Å
2730	G	28.5	Very low	29.4	Very low	68 Å²	68	135.1 Å²	135.1	70%	0.701	75%	0.752	S	S	*	*				136.5	132.1	112.7	0	0	0	0	0	113.5
2731	I	30.4	Very low	29.7	Very low	156.4 Å²	156.4	135.5 Å²	135.5	80%	0.802	75%	0.754	S	S	*	*				95.9	105.6	120.7	-52.2	175.7	0	0	0	110.9	L2733	I2731-L2733 HydrophobicContact CG2-CD1 4.36Å; I2731-L2733 HydrophobicContact CG2-CG 4.46Å
2732	H	27.2	Very low	29.8	Very low	159.8 Å²	159.8	139.1 Å²	139.1	74%	0.74	76%	0.76	S	S	*	*				29.5	118	125.7	-145.4	37.9	0	0	0	112.2	H2734	H2732-H2734 AromaticContact CD2-CD2 4Å; H2732-H2734 AromaticContact CE1-CD2 3.42Å; H2732-H2734 PolarHBondContact CE1-CD2 3.32Å; H2732-H2734 AromaticContact CE1-CE1 3.8Å; H2732-H2734 AromaticContact CE1-NE2 3.35Å; H2732-H2734 PolarHBondContact CE1-NE2 2.84Å; H2732-H2734 AromaticContact ND1-CD2 3.89Å; H2732-H2734 AromaticContact NE2-CD2 3.25Å; H2732-H2734 PolarHBondContact NE2-CD2 3.49Å; H2732-H2734 AromaticContact NE2-CE1 3.98Å; H2732-H2734 AromaticContact NE2-NE2 2.89Å; H2732-H2734 PolarHBondContact NE2-NE2 3.18Å
2733	L	29.4	Very low	30	Very low	138.4 Å²	138.4	138.4 Å²	138.4	73%	0.725	76%	0.756	S	S	*	*				-137	134.8	124.8	-77.6	167.6	0	0	0	109.9	I2731	I2731-L2733 HydrophobicContact CG2-CD1 4.36Å; I2731-L2733 HydrophobicContact CG2-CG 4.46Å
2734	H	29.1	Very low	30.3	Very low	142.2 Å²	142.2	141.5 Å²	141.5	66%	0.658	75%	0.754	S	S	*	*			trans	-34	146.5	161.5	-76.8	-89.3	0	0	0	115.2	H2732 D2736	H2732-H2734 AromaticContact CD2-CD2 4Å; H2732-H2734 AromaticContact CE1-CD2 3.42Å; H2732-H2734 PolarHBondContact CE1-CD2 3.32Å; H2732-H2734 AromaticContact CE1-CE1 3.8Å; H2732-H2734 AromaticContact CE1-NE2 3.35Å; H2732-H2734 PolarHBondContact CE1-NE2 2.84Å; H2732-H2734 AromaticContact ND1-CD2 3.89Å; H2732-H2734 AromaticContact NE2-CD2 3.25Å; H2732-H2734 PolarHBondContact NE2-CD2 3.49Å; H2732-H2734 AromaticContact NE2-CE1 3.98Å; H2732-H2734 AromaticContact NE2-NE2 2.89Å; H2732-H2734 PolarHBondContact NE2-NE2 3.18Å; H2734-D2736 IonicContact CE1-OD1 3.94Å; H2734-D2736 PolarHBondContact CE1-OD1 3.17Å; H2734-D2736 IonicContact CE1-OD2 3.32Å; H2734-D2736 IonicContact CG-OD2 3.95Å; H2734-D2736 VanDerWaalsContact ND1-CG 3.26Å; H2734-D2736 IonicContact ND1-OD1 3.54Å; H2734-D2736 PolarHBondContact ND1-OD1 2.9Å; H2734-D2736 IonicContact ND1-OD2 3.59Å; H2734-D2736 PolarHBondContact ND1-OD2 3.36Å
2735	S	29.7	Very low	30.8	Very low	101.8 Å²	101.8	139.7 Å²	139.7	71%	0.712	75%	0.749	S	S	*	*				-131.8	121.4	115.5	-64	0	0	0	0	113
2736	D	28.9	Very low	31.2	Very low	139.8 Å²	139.8	138.3 Å²	138.3	75%	0.748	74%	0.743	S	S	*	*			trans	-41.6	111.7	162.5	-55.1	-54.7	0	0	0	115	H2734	H2734-D2736 IonicContact CE1-OD1 3.94Å; H2734-D2736 PolarHBondContact CE1-OD1 3.17Å; H2734-D2736 IonicContact CE1-OD2 3.32Å; H2734-D2736 IonicContact CG-OD2 3.95Å; H2734-D2736 VanDerWaalsContact ND1-CG 3.26Å; H2734-D2736 IonicContact ND1-OD1 3.54Å; H2734-D2736 PolarHBondContact ND1-OD1 2.9Å; H2734-D2736 IonicContact ND1-OD2 3.59Å; H2734-D2736 PolarHBondContact ND1-OD2 3.36Å
2737	S	30.5	Very low	31.6	Very low	108 Å²	108	138.1 Å²	138.1	76%	0.755	74%	0.737	S	S	*	*			trans	-147	107.1	156.7	60.7	0	0	0	0	112.3	P2739	S2737-P2739 VanDerWaalsContact C-CD 3.49Å; S2737-P2739 WeakPolarHBondContact O-CD 3.47Å
2738	H	30.4	Very low	32.2	Very low	182 Å²	182	135.4 Å²	135.4	84%	0.843	73%	0.726	S	S	*	*			trans	-72.1	130.4	171	-76.2	-72.3	0	0	0	112.6	M2740	H2738-M2740 VanDerWaalsContact C-N 3.3Å; H2738-M2740 PolarHBondContact O-N 3.43Å
2739	P	34.3	Very low	32.5	Very low	110.4 Å²	110.4	134.4 Å²	134.4	72%	0.717	72%	0.716	S	S	*	*			trans	-96.7	137.8	149.1	25.5	-17.4	0	0	0	110.8	S2737 Q2741	S2737-P2739 VanDerWaalsContact C-CD 3.49Å; S2737-P2739 WeakPolarHBondContact O-CD 3.47Å; P2739-Q2741 PolarHBondContact O-N 3.32Å; P2739-Q2741 VanDerWaalsContact O-N 3.14Å
2740	M	27.6	Very low	32.9	Very low	168 Å²	168	136.4 Å²	136.4	83%	0.828	71%	0.714	S	S	*	*			trans	19.7	115.1	134.4	-74.6	-162.8	82.9	0	0	114.7	H2738	H2738-M2740 VanDerWaalsContact C-N 3.3Å; H2738-M2740 PolarHBondContact O-N 3.43Å
2741	Q	32.2	Very low	33.2	Very low	169.4 Å²	169.4	140.6 Å²	140.6	79%	0.792	72%	0.715	S	S	*	*			trans	-29.8	130.9	143.2	-72.6	176.7	-27.9	0	0	112.3	P2739 N2743	P2739-Q2741 PolarHBondContact O-N 3.32Å; P2739-Q2741 VanDerWaalsContact O-N 3.14Å; Q2741-N2743 PolarHBondContact O-N 3.28Å
2742	K	32.7	Very low	33.3	Very low	186.6 Å²	186.6	144.1 Å²	144.1	81%	0.811	72%	0.718	S	S	*	*				-125.1	123.6	128.7	-106	-174.4	176.3	178	0	109.3	I2744	K2742-I2744 VanDerWaalsContact CE-CD1 3.42Å; K2742-I2744 HydrophobicContact CG-CD1 4.42Å; K2742-I2744 HydrophobicContact CG-CG1 4.48Å; K2742-I2744 PolarHBondContact O-N 2.98Å
2743	N	33.4	Very low	33.9	Very low	140.4 Å²	140.4	141 Å²	141	75%	0.751	71%	0.712	S	S	*	*				-72.4	140.5	122	-88.3	-13.5	0	0	0	113.1	Q2741	Q2741-N2743 PolarHBondContact O-N 3.28Å
2744	I	37.2	Very low	34	Very low	139.6 Å²	139.6	139 Å²	139	72%	0.716	71%	0.71	S	S	*	*			trans	162.5	127	157.2	-70.1	154	0	0	0	109.7	K2742 D2746	K2742-I2744 VanDerWaalsContact CE-CD1 3.42Å; K2742-I2744 HydrophobicContact CG-CD1 4.42Å; K2742-I2744 HydrophobicContact CG-CG1 4.48Å; K2742-I2744 PolarHBondContact O-N 2.98Å; I2744-D2746 VanDerWaalsContact C-N 3.29Å; I2744-D2746 PolarHBondContact O-N 3.1Å
2745	L	37.7	Very low	34.1	Very low	137 Å²	137	136.7 Å²	136.7	72%	0.717	71%	0.71	S	S	*	*			trans	-124.2	142.9	149	-117.8	85.7	0	0	0	110.6	F2747	L2745-F2747 HydrophobicContact CD2-CD2 3.73Å; L2745-F2747 HydrophobicContact CD2-CE2 3.64Å; L2745-F2747 HydrophobicContact CD2-CZ 3.97Å; L2745-F2747 HydrophobicContact CG-CD2 3.93Å; L2745-F2747 HydrophobicContact CG-CE2 3.93Å; L2745-F2747 PolarHBondContact O-N 3.16Å
2746	D	35.8	Very low	34.3	Very low	116.8 Å²	116.8	137.2 Å²	137.2	63%	0.625	71%	0.711	S	S	*	*			trans	-130.1	145.4	157.5	-141.3	-3.1	0	0	0	112.6	I2744 P2748 M3097 N3100	I2744-D2746 VanDerWaalsContact C-N 3.29Å; I2744-D2746 PolarHBondContact O-N 3.1Å; D2746-P2748 WeakPolarHBondContact O-CG 3.46Å; D2746-M3097 VanDerWaalsContact OD2-CE 3.25Å; D2746-M3097 WeakPolarHBondContact OD2-CE 3.36Å; D2746-N3100 WeakPolarHBondContact CB-ND2 3.33Å; D2746-N3100 PolarHBondContact O-ND2 2.88Å; D2746-N3100 VanDerWaalsContact O-ND2 3.13Å
2747	F	37.8	Very low	34.3	Very low	138.6 Å²	138.6	133.3 Å²	133.3	61%	0.608	70%	0.704	S	S	*	*			trans	-97.1	155.8	-169.9	-89.1	-77.5	0	0	0	112.1	K2604 V2605 L2745 D2749 M3099	K2604-F2747 CarbonylContact C-O 3.07Å; K2604-F2747 WeakPolarHBondContact CA-O 3.49Å; K2604-F2747 PolarHBondContact N-O 3.41Å; V2605-F2747 PolarHBondContact N-O 3.13Å; L2745-F2747 HydrophobicContact CD2-CD2 3.73Å; L2745-F2747 HydrophobicContact CD2-CE2 3.64Å; L2745-F2747 HydrophobicContact CD2-CZ 3.97Å; L2745-F2747 HydrophobicContact CG-CD2 3.93Å; L2745-F2747 HydrophobicContact CG-CE2 3.93Å; L2745-F2747 PolarHBondContact O-N 3.16Å; F2747-D2749 PolarHBondContact O-N 3.3Å; F2747-D2749 VanDerWaalsContact O-N 3.16Å; F2747-M3099 HydrophobicContact CB-CE 3.9Å; F2747-M3099 HydrophobicContact CB-SD 4.27Å; F2747-M3099 HydrophobicContact CD1-CE 4.29Å; F2747-M3099 HydrophobicContact CD1-SD 3.68Å; F2747-M3099 HydrophobicContact CD2-CE 4.03Å; F2747-M3099 HydrophobicContact CE2-CE 4.03Å; F2747-M3099 HydrophobicContact CG-CE 4.49Å; F2747-M3099 HydrophobicContact CG-SD 4.41Å
2748	P	42.3	Very low	34.3	Very low	71.6 Å²	71.6	138.2 Å²	138.2	47%	0.465	71%	0.707	S	S	.	*			trans	-116.4	150.6	-151.2	30.5	-20	0	0	0	115.7	V2605 D2746 Y2750 M3097 N3098 M3099 I3103	V2605-P2748 WeakPolarHBondContact O-CA 3.46Å; D2746-P2748 WeakPolarHBondContact O-CG 3.46Å; P2748-Y2750 VanDerWaalsContact C-N 3.28Å; P2748-Y2750 HydrophobicContact CG-CE2 3.96Å; P2748-Y2750 WeakPolarHBondContact O-CD2 3.46Å; P2748-Y2750 PolarHBondContact O-N 3.22Å; P2748-M3097 VanDerWaalsContact CA-CB 3.45Å; P2748-M3097 HydrophobicContact CB-CB 3.35Å; P2748-M3097 HydrophobicContact CB-CG 3.76Å; P2748-M3097 CarbonylContact O-C 2.99Å; P2748-N3098 CarbonylContact O-C 3.18Å; P2748-N3098 WeakPolarHBondContact O-CA 3.29Å; P2748-N3098 PolarHBondContact O-N 3.16Å; P2748-M3099 PolarHBondContact O-N 3.24Å; P2748-I3103 CarbonylContact O-C 3.31Å; P2748-I3103 VanDerWaalsContact O-C 3.3Å; P2748-I3103 WeakPolarHBondContact O-CB 3.01Å; P2748-I3103 WeakPolarHBondContact O-CG2 3.42Å; P2748-I3103 VanDerWaalsContact O-O 3.08Å
2749	D	38	Very low	34.5	Very low	99 Å²	99	135.2 Å²	135.2	53%	0.529	70%	0.702	S	S	.	*			trans	-28.6	127.2	162.1	-76.6	-14.9	0	0	0	116.7	V2605 N2606 F2747 Q2751 R3095 M3097 I3103 P3104	V2605-D2749 PolarHBondContact O-N 3.45Å; N2606-D2749 VanDerWaalsContact CA-OD2 3.27Å; N2606-D2749 WeakPolarHBondContact CA-OD2 3.41Å; N2606-D2749 WeakPolarHBondContact CB-OD2 3.44Å; N2606-D2749 PolarHBondContact N-OD2 3.34Å; N2606-D2749 PolarHBondContact ND2-OD2 2.86Å; F2747-D2749 PolarHBondContact O-N 3.3Å; F2747-D2749 VanDerWaalsContact O-N 3.16Å; D2749-Q2751 PolarHBondContact O-N 3.36Å; D2749-R3095 WeakPolarHBondContact O-CB 3.46Å; D2749-R3095 WeakPolarHBondContact O-CD 3.35Å; D2749-R3095 IonicContact OD2-CZ 3.95Å; D2749-R3095 IonicContact OD2-NH1 3.48Å; D2749-R3095 PolarHBondContact OD2-NH1 3.48Å; D2749-M3097 CarbonylContact C-O 3.48Å; D2749-M3097 CarbonylContact O-C 2.79Å; D2749-M3097 WeakPolarHBondContact O-CA 3.45Å; D2749-M3097 WeakPolarHBondContact O-CB 3.02Å; D2749-I3103 WeakPolarHBondContact O-CG2 2.95Å; D2749-P3104 HydrophobicContact CB-CG 4.12Å
2750	Y	36.9	Very low	34.4	Very low	191.6 Å²	191.6	138.1 Å²	138.1	75%	0.751	71%	0.705	S	S	*	*			trans	-126.7	125.4	140.2	-79.4	-82	0	0	0	113.2	P2748 R2752 R3095 N3098	P2748-Y2750 VanDerWaalsContact C-N 3.28Å; P2748-Y2750 HydrophobicContact CG-CE2 3.96Å; P2748-Y2750 WeakPolarHBondContact O-CD2 3.46Å; P2748-Y2750 PolarHBondContact O-N 3.22Å; Y2750-R2752 PolarHBondContact O-N 3.15Å; Y2750-R3095 PolarHBondContact O-NH1 3.05Å; Y2750-N3098 HydrophobicContact CE1-CB 4.43Å; Y2750-N3098 HydrophobicContact CE2-CB 4.44Å; Y2750-N3098 VanDerWaalsContact OH-CG 3.26Å; Y2750-N3098 PolarHBondContact OH-OD1 3.35Å
2751	Q	35.4	Very low	34.7	Very low	155 Å²	155	136.8 Å²	136.8	72%	0.724	70%	0.697	S	S	*	*			trans	-26.5	141.3	165.7	-82.8	172.1	-16	0	0	115.4	D2749 P2753 N3094 R3095	D2749-Q2751 PolarHBondContact O-N 3.36Å; Q2751-P2753 WeakPolarHBondContact O-CD 3.43Å; Q2751-N3094 PolarHBondContact O-ND2 2.96Å; Q2751-R3095 HydrophobicContact CB-CB 3.69Å; Q2751-R3095 HydrophobicContact CB-CG 3.59Å; Q2751-R3095 HydrophobicContact CG-CB 4.44Å; Q2751-R3095 HydrophobicContact CG-CG 3.85Å; Q2751-R3095 VanDerWaalsContact N-CD 3.26Å
2752	R	33.7	Very low	34.7	Very low	229.8 Å²	229.8	136.8 Å²	136.8	87%	0.867	70%	0.695	S	S	*	*			trans	-91.8	151.9	171.8	-147.7	-175.3	-168.2	-144.7	0.1	110.3	Y2750 S2754 S3093	Y2750-R2752 PolarHBondContact O-N 3.15Å; R2752-S2754 PolarHBondContact O-N 2.92Å; R2752-S3093 PolarHBondContact O-OG 3.2Å
2753	P	39	Very low	34.8	Very low	94.6 Å²	94.6	135.8 Å²	135.8	61%	0.614	69%	0.693	S	S	*	*			trans	-85	158.3	-178.3	11.9	-5.7	0	0	0	115.8	Q2751 S2755 N2856 L2858 S3093	Q2751-P2753 WeakPolarHBondContact O-CD 3.43Å; P2753-S2755 PolarHBondContact O-N 3.07Å; P2753-N2856 HydrophobicContact CB-CB 3.93Å; P2753-N2856 HydrophobicContact CG-CB 3.75Å; P2753-N2856 WeakPolarHBondContact CG-ND2 2.85Å; P2753-L2858 HydrophobicContact CB-CB 4.03Å; P2753-S3093 WeakPolarHBondContact CA-OG 3.37Å
2754	S	31.2	Very low	34.6	Very low	97 Å²	97	137.5 Å²	137.5	68%	0.678	70%	0.696	S	S	*	*			trans	-142.5	139.9	167.7	-55.6	0	0	0	0	114	R2752 R2857 L2858 T2859 S3093	R2752-S2754 PolarHBondContact O-N 2.92Å; S2754-R2857 WeakPolarHBondContact O-CA 3.14Å; S2754-R2857 VanDerWaalsContact O-CG 3.32Å; S2754-R2857 WeakPolarHBondContact O-CG 3.48Å; S2754-L2858 VanDerWaalsContact CA-C 3.45Å; S2754-L2858 PolarHBondContact O-N 3.38Å; S2754-T2859 VanDerWaalsContact C-OG1 3.27Å; S2754-T2859 VanDerWaalsContact CA-OG1 3.25Å; S2754-T2859 WeakPolarHBondContact CA-OG1 3.35Å; S2754-T2859 VanDerWaalsContact CB-CG2 3.46Å; S2754-T2859 WeakPolarHBondContact CB-OG1 3.22Å; S2754-S3093 PolarHBondContact N-OG 2.89Å; S2754-S3093 WeakPolarHBondContact OG-CB 3.25Å; S2754-S3093 PolarHBondContact OG-OG 2.83Å
2755	S	31.7	Very low	34.3	Very low	93.2 Å²	93.2	135.8 Å²	135.8	65%	0.652	70%	0.697	S	S	*	*			trans	-80.1	155.5	176.5	-56.8	0	0	0	0	114.5	P2753 G2757 R2857 L2858 T2859 S3090 S3091	P2753-S2755 PolarHBondContact O-N 3.07Å; S2755-G2757 PolarHBondContact O-N 3.24Å; S2755-R2857 VanDerWaalsContact CA-C 3.47Å; S2755-R2857 VanDerWaalsContact CB-O 3.24Å; S2755-R2857 WeakPolarHBondContact CB-O 3.2Å; S2755-R2857 PolarHBondContact OG-O 3.25Å; S2755-L2858 VanDerWaalsContact CB-CA 3.48Å; S2755-L2858 VanDerWaalsContact CB-N 3.28Å; S2755-T2859 WeakPolarHBondContact CB-O 3.37Å; S2755-T2859 PolarHBondContact N-OG1 3.15Å; S2755-S3090 CarbonylContact O-C 3.39Å; S2755-S3090 WeakPolarHBondContact O-CA 3.24Å; S2755-S3090 WeakPolarHBondContact O-CB 3.15Å; S2755-S3090 VanDerWaalsContact O-O 3.05Å; S2755-S3090 PolarHBondContact O-OG 3.04Å; S2755-S3091 VanDerWaalsContact C-OG 3.24Å; S2755-S3091 VanDerWaalsContact O-CA 3.25Å; S2755-S3091 WeakPolarHBondContact O-CA 3.37Å; S2755-S3091 WeakPolarHBondContact O-CB 3.16Å; S2755-S3091 PolarHBondContact O-N 2.95Å; S2755-S3091 PolarHBondContact O-OG 3.46Å
2756	P	34.4	Very low	34.1	Very low	112.4 Å²	112.4	134.8 Å²	134.8	73%	0.73	70%	0.697	S	S	*	*			trans	-105.3	141.1	159.1	15.8	-4	0	0	0	115.4	R2857 S3090	P2756-R2857 PolarHBondContact O-NE 2.85Å; P2756-R2857 PolarHBondContact O-NH1 3.07Å; P2756-R2857 PolarHBondContact O-NH2 3.23Å; P2756-S3090 WeakPolarHBondContact CD-OG 3.48Å; P2756-S3090 VanDerWaalsContact N-OG 3.16Å
2757	G	28.9	Very low	33.7	Very low	59 Å²	59	138.5 Å²	138.5	61%	0.608	70%	0.703	S	S	*	*			trans	105.5	104.5	133.7	0	0	0	0	0	115.2	S2755 T2759 R2857 S3089 S3090 S3091	S2755-G2757 PolarHBondContact O-N 3.24Å; G2757-T2759 PolarHBondContact O-N 2.87Å; G2757-R2857 PolarHBondContact O-NH2 3.41Å; G2757-R2857 VanDerWaalsContact O-NH2 3.14Å; G2757-S3089 CarbonylContact C-O 3Å; G2757-S3089 WeakPolarHBondContact CA-O 3.06Å; G2757-S3089 VanDerWaalsContact N-C 3.29Å; G2757-S3089 VanDerWaalsContact N-CB 3.27Å; G2757-S3090 VanDerWaalsContact N-N 3.1Å; G2757-S3091 WeakPolarHBondContact CA-OG 3.15Å; G2757-S3091 PolarHBondContact N-OG 3.35Å
2758	Y	30.4	Very low	33.7	Very low	209.4 Å²	209.4	136.6 Å²	136.6	82%	0.821	71%	0.705	S	S	*	*			trans	-82.1	117.9	165.1	-87.1	-85.5	0	0	0	112.7	H2760 N3087 N3088 S3089	Y2758-H2760 PolarHBondContact O-N 2.97Å; Y2758-N3087 PolarHBondContact O-OD1 2.93Å; Y2758-N3088 VanDerWaalsContact CB-O 3.27Å; Y2758-N3088 WeakPolarHBondContact CB-O 3.01Å; Y2758-N3088 HydrophobicContact CD2-CB 4.01Å; Y2758-N3088 VanDerWaalsContact CD2-O 3.26Å; Y2758-N3088 WeakPolarHBondContact CD2-O 3.32Å; Y2758-N3088 PolarHBondContact N-O 3.4Å; Y2758-N3088 VanDerWaalsContact N-O 3.09Å; Y2758-S3089 PolarHBondContact N-O 3.43Å; Y2758-S3089 VanDerWaalsContact N-O 3.16Å
2759	T	33.1	Very low	33.3	Very low	120.6 Å²	120.6	138.5 Å²	138.5	74%	0.74	72%	0.715	S	S	*	*			trans	-104.4	139.7	157.8	44.7	0	0	0	0	111.5	G2757 E2761	G2757-T2759 PolarHBondContact O-N 2.87Å; T2759-E2761 PolarHBondContact O-N 2.83Å
2760	H	33.4	Very low	33.2	Very low	169.6 Å²	169.6	140.8 Å²	140.8	79%	0.785	72%	0.723	S	S	*	*			trans	-96.3	112	160.9	-80.5	-69.2	0	0	0	112.2	Y2758 K2762	Y2758-H2760 PolarHBondContact O-N 2.97Å; H2760-K2762 PolarHBondContact O-N 2.9Å
2761	E	33.4	Very low	33	Very low	141.4 Å²	141.4	138.2 Å²	138.2	66%	0.661	72%	0.721	S	S	*	*			trans	-96.4	130	143.1	-106.3	-169.9	133.9	0	0	113.1	T2759 Q2763	T2759-E2761 PolarHBondContact O-N 2.83Å; E2761-Q2763 PolarHBondContact O-N 2.87Å; E2761-Q2763 PolarHBondContact OE1-NE2 3.39Å
2762	K	33.1	Very low	32.8	Very low	170 Å²	170	134 Å²	134	74%	0.739	72%	0.719	S	S	*	*			trans	167.3	134.6	143.3	-92	169.6	177.1	139.5	0	112.8	H2760	H2760-K2762 PolarHBondContact O-N 2.9Å
2763	Q	33.1	Very low	32.8	Very low	165 Å²	165	132.7 Å²	132.7	77%	0.771	72%	0.719	S	S	*	*				-131.9	134.6	52.9	-75.6	175	-9.1	0	0	112.6	E2761	E2761-Q2763 PolarHBondContact O-N 2.87Å; E2761-Q2763 PolarHBondContact OE1-NE2 3.39Å
2764	Q	30.3	Very low	32.4	Very low	175.4 Å²	175.4	132.8 Å²	132.8	82%	0.82	72%	0.722	S	S	*	*			trans	24.9	124.5	130.4	-82.8	172.6	-15.7	0	0	115.7	T2766	Q2764-T2766 PolarHBondContact O-N 2.83Å
2765	S	30.7	Very low	32.4	Very low	105.6 Å²	105.6	134.6 Å²	134.6	74%	0.738	72%	0.724	S	S	*	*				-164.1	125.8	115.5	154.5	0	0	0	0	112.7
2766	T	33.4	Very low	32.3	Very low	114.8 Å²	114.8	138.7 Å²	138.7	70%	0.704	73%	0.733	S	S	*	*				124.5	130.1	103.1	-75.9	0	0	0	0	116	Q2764	Q2764-T2766 PolarHBondContact O-N 2.83Å
2767	Y	28.5	Very low	32.1	Very low	195.4 Å²	195.4	138.3 Å²	138.3	77%	0.766	73%	0.732	S	S	*	*			trans	-104	165.6	163.2	-89.6	-85.3	0	0	0	115.9
2768	P	36.2	Very low	32.3	Very low	99.2 Å²	99.2	141.1 Å²	141.1	64%	0.644	74%	0.738	S	S	*	*			trans	-109.9	168.4	-151	34.2	-19.6	0	0	0	116.5	I3103 P3104	P2768-I3103 CarbonylContact C-O 3.51Å; P2768-I3103 WeakPolarHBondContact CA-O 3.28Å; P2768-P3104 CarbonylContact C-O 3.53Å; P2768-P3104 WeakPolarHBondContact CA-O 3.32Å; P2768-P3104 WeakPolarHBondContact CB-O 3.12Å
2769	T	34.7	Very low	32.3	Very low	110.2 Å²	110.2	139.6 Å²	139.6	68%	0.676	74%	0.735	S	S	*	*			trans	104.2	126.6	131	-44.8	0	0	0	0	116.2	I2771 L3102 P3104	T2769-I2771 HydrophobicContact CG2-CD1 4.41Å; T2769-I2771 HydrophobicContact CG2-CG1 4.35Å; T2769-L3102 WeakPolarHBondContact O-CA 3.19Å; T2769-L3102 WeakPolarHBondContact O-CD1 3.33Å; T2769-P3104 PolarHBondContact N-O 3.33Å
2770	E	35.1	Very low	32.2	Very low	148 Å²	148	141.4 Å²	141.4	69%	0.692	74%	0.735	S	S	*	*				168.6	141.3	117.2	-78	178.6	-170.9	0	0	119	L3102 N3106 L3110 N3112	E2770-L3102 VanDerWaalsContact N-CD1 3.28Å; E2770-N3106 PolarHBondContact OE1-ND2 3.31Å; E2770-L3110 HydrophobicContact CG-CD1 4.46Å; E2770-N3112 VanDerWaalsContact C-ND2 3.31Å; E2770-N3112 PolarHBondContact O-ND2 3.34Å
2771	I	32.5	Very low	32.1	Very low	136.8 Å²	136.8	140 Å²	140	70%	0.702	73%	0.729	S	S	*	*				65.6	122.6	126.9	-57.3	159.6	0	0	0	118.7	T2769 L3109 N3112	T2769-I2771 HydrophobicContact CG2-CD1 4.41Å; T2769-I2771 HydrophobicContact CG2-CG1 4.35Å; I2771-L3109 HydrophobicContact CD1-CB 4.34Å; I2771-L3109 HydrophobicContact CD1-CD2 3.78Å; I2771-L3109 HydrophobicContact CD1-CG 3.72Å; I2771-L3109 WeakPolarHBondContact CD1-O 3.42Å; I2771-L3109 HydrophobicContact CG1-CG 3.95Å; I2771-L3109 WeakPolarHBondContact CG1-O 3.29Å; I2771-L3109 HydrophobicContact CG2-CG 4.37Å; I2771-N3112 VanDerWaalsContact N-CG 3.3Å; I2771-N3112 PolarHBondContact N-ND2 2.7Å
2772	G	32.4	Very low	31.9	Very low	66 Å²	66	140.4 Å²	140.4	68%	0.68	73%	0.731	S	S	*	*			trans	156.5	112.5	133	0	0	0	0	0	117.7
2773	K	33.5	Very low	31.9	Very low	203.8 Å²	203.8	139.1 Å²	139.1	89%	0.886	73%	0.73	S	S	*	*			trans	-121.4	133.7	156.8	-75.3	172.2	-177.6	174.2	0	114.3
2774	S	30.3	Very low	31.9	Very low	95 Å²	95	138 Å²	138	66%	0.664	73%	0.728	S	S	*	*				152.4	157.7	118.2	59.4	0	0	0	0	113.5
2775	D	31.9	Very low	31.9	Very low	135 Å²	135	134.2 Å²	134.2	72%	0.722	72%	0.721	S	S	*	*				111.8	129.3	113.3	-74	-43.1	0	0	0	116.7
2776	H	29.6	Very low	32	Very low	180.2 Å²	180.2	134.9 Å²	134.9	83%	0.834	72%	0.721	S	S	*	*				55.8	138	122.1	-73.5	-44.8	0	0	0	118.3
2777	S	29.9	Very low	31.9	Very low	103.4 Å²	103.4	140.1 Å²	140.1	72%	0.723	73%	0.728	S	S	*	*			trans	-168.6	122.5	144.4	171.4	0	0	0	0	112.9
2778	V	32.2	Very low	31.8	Very low	118.6 Å²	118.6	137.2 Å²	137.2	72%	0.719	73%	0.725	S	S	*	*				64.1	123.2	111.9	173	0	0	0	0	117.1
2779	K	31.3	Very low	31.7	Very low	178.6 Å²	178.6	138.2 Å²	138.2	78%	0.777	73%	0.729	S	S	*	*			trans	114.5	145.6	150.4	-73.4	-179.7	-175.9	175.8	0	115.4
2780	Q	31.2	Very low	31.4	Very low	156.4 Å²	156.4	139 Å²	139	73%	0.731	73%	0.73	S	S	*	*				-172.4	151.8	59	-142.7	175.1	-10.9	0	0	111.8
2781	H	31.2	Very low	31.2	Very low	141.8 Å²	141.8	138.9 Å²	138.9	66%	0.656	73%	0.729	S	S	*	*			trans	-45	152.8	155.3	-79	-58.9	0	0	0	116.5	S2802	H2781-S2802 PolarHBondContact CD2-O 3.45Å
2782	Q	29.5	Very low	31.1	Very low	149 Å²	149	141.4 Å²	141.4	70%	0.696	73%	0.731	S	S	*	*			cis	145.2	143.4	14.2	-152.8	-178.6	21.9	0	0	110.9	I2784	Q2782-I2784 HydrophobicContact CG-CD1 4.34Å; Q2782-I2784 HydrophobicContact CG-CG1 4.36Å
2783	I	32.4	Very low	31	Very low	142.2 Å²	142.2	145.4 Å²	145.4	73%	0.729	73%	0.731	S	S	*	*			trans	170.2	132.5	142.4	-51.5	174.5	0	0	0	113
2784	I	33.4	Very low	30.9	Very low	141.8 Å²	141.8	140.4 Å²	140.4	73%	0.727	72%	0.722	S	S	*	*				67.7	121.3	129.9	-44.9	175.5	0	0	0	117.4	Q2782	Q2782-I2784 HydrophobicContact CG-CD1 4.34Å; Q2782-I2784 HydrophobicContact CG-CG1 4.36Å
2785	S	30.1	Very low	31	Very low	95.4 Å²	95.4	140.8 Å²	140.8	67%	0.667	73%	0.725	S	S	*	*			cis	155.3	139.9	31.1	-135.5	0	0	0	0	114.4
2786	T	32.9	Very low	31.1	Very low	121.2 Å²	121.2	139.6 Å²	139.6	74%	0.744	73%	0.727	S	S	*	*			trans	55.3	132.3	139	53.2	0	0	0	0	116.1
2787	R	30.3	Very low	31.4	Very low	223.2 Å²	223.2	136.3 Å²	136.3	84%	0.842	72%	0.722	S	S	*	*				-170.8	136.1	109.2	-157.4	175	-137.3	166.8	1	113.2
2788	N	28.2	Very low	31.4	Very low	134.8 Å²	134.8	137.3 Å²	137.3	72%	0.721	72%	0.723	S	S	*	*			trans	58.1	144.4	133	-105.9	11.4	0	0	0	118.9
2789	V	33.9	Very low	31.4	Very low	120.6 Å²	120.6	137.3 Å²	137.3	73%	0.731	73%	0.729	S	S	*	*			trans	115.7	119.6	130.4	166.6	0	0	0	0	112.7
2790	N	27.8	Very low	31.4	Very low	127.8 Å²	127.8	132.4 Å²	132.4	68%	0.683	73%	0.728	S	S	*	*			trans	46	139	151.5	-75.9	-26.8	0	0	0	117.6
2791	H	30.3	Very low	31.3	Very low	144.6 Å²	144.6	130.6 Å²	130.6	67%	0.669	73%	0.733	S	S	*	*				110.8	137.8	110.3	-84.2	46.4	0	0	0	114.6
2792	Y	31.3	Very low	31.1	Very low	189.8 Å²	189.8	129.2 Å²	129.2	74%	0.744	74%	0.74	S	S	*	*				139.5	140.9	111	-86.2	-60.8	0	0	0	113
2793	H	30.5	Very low	31.1	Very low	149.2 Å²	149.2	126.6 Å²	126.6	69%	0.691	74%	0.738	S	S	*	*			trans	91.5	157.5	135.1	-67.5	-72.1	0	0	0	116.7	N3225 N3226	H2793-N3225 WeakPolarHBondContact CB-OD1 3.41Å; H2793-N3226 PolarHBondContact O-ND2 3.13Å
2794	S	29.9	Very low	31	Very low	98.8 Å²	98.8	126.1 Å²	126.1	69%	0.691	74%	0.742	S	S	*	*			cis	-177.4	145.4	-12	97	0	0	0	0	112.9	N3225	S2794-N3225 PolarHBondContact O-ND2 3.28Å
2795	S	33.8	Very low	30.7	Very low	104.8 Å²	104.8	122.8 Å²	122.8	73%	0.733	74%	0.743	S	S	*	*			trans	121.6	126.2	147.9	46	0	0	0	0	117.7	R2650	R2650-S2795 PolarHBondContact NH2-O 3.28Å
2796	S	32.7	Very low	30.6	Very low	109.8 Å²	109.8	126.6 Å²	126.6	77%	0.768	75%	0.75	S	S	*	*			trans	166.1	174.7	167.3	-49.8	0	0	0	0	117.2
2797	P	36.7	Very low	30.4	Very low	109.8 Å²	109.8	126.5 Å²	126.5	71%	0.713	75%	0.754	S	S	*	*				-125.4	170	-107.5	43.1	-28.8	0	0	0	116.7	R2650	R2650-P2797 HydrophobicContact CB-CB 4.28Å; R2650-P2797 HydrophobicContact CB-CG 4.32Å; R2650-P2797 VanDerWaalsContact CD-CB 3.46Å
2798	V	30.6	Very low	30.3	Very low	125 Å²	125	124.3 Å²	124.3	76%	0.758	76%	0.757	S	S	*	*			trans	123.9	132.2	136.1	163.8	0	0	0	0	115.4	R2650	R2650-V2798 HydrophobicContact CB-CG2 4.44Å
2799	S	31	Very low	30.4	Very low	119.4 Å²	119.4	122 Å²	122	84%	0.835	76%	0.758	S	S	*	*			trans	70.5	133.8	158.1	-33.6	0	0	0	0	119.6
2800	G	31.1	Very low	30.1	Very low	74.2 Å²	74.2	122.1 Å²	122.1	77%	0.765	76%	0.764	S	S	*	*			trans	134.9	136	147	0	0	0	0	0	117.1
2801	S	29	Very low	30.1	Very low	119.4 Å²	119.4	119.5 Å²	119.5	84%	0.835	77%	0.767	S	S	*	*			trans	-44.6	138.8	158.1	-54.5	0	0	0	0	116.7
2802	S	27.4	Very low	30	Very low	113 Å²	113	117.6 Å²	117.6	79%	0.79	77%	0.77	S	S	*	*			trans	111.6	142.6	138.5	81.1	0	0	0	0	115.3	H2781	H2781-S2802 PolarHBondContact CD2-O 3.45Å
2803	S	29.6	Very low	30.1	Very low	94.4 Å²	94.4	119.7 Å²	119.7	66%	0.66	78%	0.776	S	S	*	*			trans	-137.9	165.2	151.3	59.3	0	0	0	0	113.7
2804	T	30	Very low	30.1	Very low	131.8 Å²	131.8	121.8 Å²	121.8	81%	0.809	78%	0.784	S	S	*	*			trans	59.9	124.6	149.7	-43.1	0	0	0	0	118.4	H2806	T2804-H2806 PolarHBondContact O-N 3.01Å
2805	G	27.7	Very low	30.2	Very low	72.8 Å²	72.8	122.1 Å²	122.1	75%	0.751	79%	0.786	S	S	*	*			trans	-167.7	99.1	169.1	0	0	0	0	0	114	S2807	G2805-S2807 PolarHBondContact O-N 3.19Å
2806	H	27.6	Very low	30.2	Very low	175 Å²	175	123.7 Å²	123.7	81%	0.81	79%	0.786	S	S	*	*			trans	-91.6	142.1	166.7	-74.3	-85.8	0	0	0	111.6	T2804 Y3231	T2804-H2806 PolarHBondContact O-N 3.01Å; H2806-Y3231 PolarHBondContact CE1-OH 3.41Å; H2806-Y3231 VanDerWaalsContact CE1-OH 3.3Å; H2806-Y3231 AromaticContact NE2-CE2 3.3Å; H2806-Y3231 VanDerWaalsContact NE2-CE2 3.3Å; H2806-Y3231 WeakPolarHBondContact NE2-CE2 3.23Å; H2806-Y3231 AromaticContact NE2-CZ 3.69Å; H2806-Y3231 PolarHBondContact NE2-OH 2.85Å
2807	S	29	Very low	30.3	Very low	118.4 Å²	118.4	127 Å²	127	83%	0.828	79%	0.789	S	S	*	*			trans	-129.8	156.8	159.9	-69.8	0	0	0	0	112.3	G2805	G2805-S2807 PolarHBondContact O-N 3.19Å
2808	L	28.5	Very low	30	Very low	176.2 Å²	176.2	129.5 Å²	129.5	92%	0.923	79%	0.791	S	S	*	*			trans	-139.2	135.3	175.3	-60.6	169.1	0	0	0	112.2
2809	A	29.1	Very low	30.2	Very low	88.2 Å²	88.2	131.9 Å²	131.9	73%	0.729	79%	0.794	S	S	*	*			trans	-166.6	147	155	0	0	0	0	0	111.5
2810	S	27.7	Very low	30.2	Very low	122.6 Å²	122.6	131 Å²	131	86%	0.857	79%	0.787	S	S	*	*			trans	72.1	128.7	148.6	-89.9	0	0	0	0	116.8
2811	G	28.1	Very low	30.1	Very low	72.8 Å²	72.8	137.2 Å²	137.2	75%	0.751	79%	0.789	S	S	*	*			trans	118	99.6	143.9	0	0	0	0	0	114.8
2812	S	29.3	Very low	30.1	Very low	104.4 Å²	104.4	136.6 Å²	136.6	73%	0.73	78%	0.784	S	S	*	*				165.2	126.4	116.6	-115.1	0	0	0	0	114.8
2813	R	32.2	Very low	30.1	Very low	233.2 Å²	233.2	137.4 Å²	137.4	88%	0.88	78%	0.779	S	S	*	*			trans	111.3	142.5	140.6	-72.4	166.9	-172.8	-156	0.7	115.8
2814	K	30.3	Very low	30.3	Very low	194.6 Å²	194.6	140.2 Å²	140.2	85%	0.846	79%	0.786	S	S	*	*			trans	-92.1	138.9	156.8	-65.3	178.3	178.7	-172.6	0	113.8
2815	S	33.4	Very low	30.3	Very low	104 Å²	104	137.3 Å²	137.3	73%	0.727	78%	0.783	S	S	*	*				147.4	142.4	119.5	173.6	0	0	0	0	113
2816	D	32.4	Very low	30.4	Very low	138.4 Å²	138.4	142.6 Å²	142.6	74%	0.74	79%	0.79	S	S	*	*			trans	-121.3	148.7	166.7	-59.9	-57.8	0	0	0	117.3
2817	Q	36.2	Very low	30.4	Very low	178.6 Å²	178.6	141.8 Å²	141.8	84%	0.835	79%	0.789	S	S	*	*			trans	85.9	115	157	-74.1	171.9	8	0	0	117.5
2818	H	30.7	Very low	30.6	Very low	162.8 Å²	162.8	143.5 Å²	143.5	75%	0.754	79%	0.785	S	S	*	*				69.5	133.7	103.3	-85.6	-109.7	0	0	0	114.5
2819	H	34.7	Very low	30.9	Very low	176.6 Å²	176.6	141.9 Å²	141.9	82%	0.818	78%	0.776	S	S	*	*			trans	154.7	150.5	135.6	-87.3	-60.1	0	0	0	115.4
2820	S	30.8	Very low	31	Very low	98.6 Å²	98.6	142.9 Å²	142.9	69%	0.69	77%	0.773	S	S	*	*				156.9	152.3	115.5	-177.2	0	0	0	0	114.2
2821	Y	29.2	Very low	31.1	Very low	205.2 Å²	205.2	146 Å²	146	81%	0.805	77%	0.771	S	S	*	*			trans	-45	150.6	146.4	-82.1	-101.5	0	0	0	115	S2844	Y2821-S2844 CarbonylContact C-O 3.5Å; Y2821-S2844 WeakPolarHBondContact CA-O 3.43Å; Y2821-S2844 WeakPolarHBondContact CB-O 3.37Å
2822	C	28.9	Very low	31.3	Very low	107.8 Å²	107.8	148.6 Å²	148.6	73%	0.728	77%	0.773	S	S	*	*			trans	113.5	141.4	147.3	-82.7	0	0	0	0	115.3	N2842 S2843 S2844	C2822-N2842 HydrophobicContact CB-CB 3.82Å; C2822-N2842 WeakPolarHBondContact SG-CB 3.27Å; C2822-N2842 PolarHBondContact SG-ND2 3.32Å; C2822-S2843 VanDerWaalsContact C-OG 3.24Å; C2822-S2843 WeakPolarHBondContact CA-OG 3.3Å; C2822-S2843 PolarHBondContact N-O 2.78Å; C2822-S2844 PolarHBondContact N-O 3.12Å
2823	N	27.7	Very low	31.2	Very low	130 Å²	130	150.4 Å²	150.4	70%	0.695	77%	0.774	S	S	*	*			cis	176.8	141.7	2	-159.6	0.1	0	0	0	113.8	N2842 S2843	N2823-N2842 VanDerWaalsContact CG-CG 3.42Å; N2823-N2842 VanDerWaalsContact ND2-CG 3.33Å; N2823-N2842 PolarHBondContact ND2-OD1 2.74Å; N2823-N2842 VanDerWaalsContact OD1-CA 3.29Å; N2823-N2842 WeakPolarHBondContact OD1-CA 3.31Å; N2823-N2842 VanDerWaalsContact OD1-CB 3.27Å; N2823-N2842 WeakPolarHBondContact OD1-CB 3.34Å; N2823-N2842 PolarHBondContact OD1-OD1 3.32Å; N2823-N2842 VanDerWaalsContact OD1-OD1 3.08Å; N2823-S2843 WeakPolarHBondContact CA-OG 3.32Å; N2823-S2843 PolarHBondContact N-OG 3.05Å; N2823-S2843 VanDerWaalsContact N-OG 3.1Å
2824	N	32.3	Very low	31.2	Very low	151.8 Å²	151.8	145.1 Å²	145.1	81%	0.812	77%	0.767	S	S	*	*			trans	-128.1	133.5	162.4	-84.3	-30.8	0	0	0	112.5	M2826	N2824-M2826 PolarHBondContact O-N 3.49Å
2825	G	30.3	Very low	31.3	Very low	70.4 Å²	70.4	141.9 Å²	141.9	73%	0.726	76%	0.759	S	S	*	*			trans	121.2	121.5	138.1	0	0	0	0	0	115.8	M2827	G2825-M2827 PolarHBondContact O-N 2.97Å
2826	M	29.1	Very low	31.2	Very low	184 Å²	184	143.6 Å²	143.6	91%	0.906	76%	0.76	S	S	*	*			trans	-126	126.8	168.1	-87.4	-160	167.3	0	0	113.6	N2824 M2828	N2824-M2826 PolarHBondContact O-N 3.49Å; M2826-M2828 VanDerWaalsContact C-N 3.35Å; M2826-M2828 PolarHBondContact O-N 3.25Å
2827	M	28.7	Very low	31.1	Very low	158.4 Å²	158.4	142.1 Å²	142.1	78%	0.78	76%	0.761	S	S	*	*			trans	167.5	119	146.3	-156.4	-175.3	-132.4	0	0	113.8	G2825 I2829	G2825-M2827 PolarHBondContact O-N 2.97Å; M2827-I2829 HydrophobicContact CE-CD1 3.92Å; M2827-I2829 HydrophobicContact CE-CG1 4.35Å; M2827-I2829 HydrophobicContact CG-CG1 4.23Å; M2827-I2829 PolarHBondContact O-N 3.48Å; M2827-I2829 HydrophobicContact SD-CD1 4.18Å; M2827-I2829 HydrophobicContact SD-CG1 4.37Å
2828	M	33.3	Very low	30.9	Very low	154.2 Å²	154.2	142.3 Å²	142.3	76%	0.76	76%	0.759	S	S	*	*			trans	-20.5	118.1	158.8	-70.7	-67.9	-94.5	0	0	114.3	M2826 V2830	M2826-M2828 VanDerWaalsContact C-N 3.35Å; M2826-M2828 PolarHBondContact O-N 3.25Å; M2828-V2830 HydrophobicContact CE-CG2 3.81Å; M2828-V2830 PolarHBondContact O-N 3.29Å; M2828-V2830 HydrophobicContact SD-CG2 4.17Å
2829	I	33.8	Very low	30.9	Very low	143.4 Å²	143.4	142.9 Å²	142.9	74%	0.735	76%	0.762	S	S	*	*			trans	-67.4	114.2	141.1	-58.3	178.1	0	0	0	109.7	M2827 K2831	M2827-I2829 HydrophobicContact CE-CD1 3.92Å; M2827-I2829 HydrophobicContact CE-CG1 4.35Å; M2827-I2829 HydrophobicContact CG-CG1 4.23Å; M2827-I2829 PolarHBondContact O-N 3.48Å; M2827-I2829 HydrophobicContact SD-CD1 4.18Å; M2827-I2829 HydrophobicContact SD-CG1 4.37Å; I2829-K2831 HydrophobicContact CG2-CG 4.16Å; I2829-K2831 PolarHBondContact O-N 3.25Å; I2829-K2831 VanDerWaalsContact O-N 3.17Å
2830	V	31.8	Very low	30.6	Very low	109.2 Å²	109.2	139.6 Å²	139.6	66%	0.662	76%	0.759	S	S	*	*			trans	-108.7	127.1	-176.8	162.8	0	0	0	0	110.5	M2828 T2832	M2828-V2830 HydrophobicContact CE-CG2 3.81Å; M2828-V2830 PolarHBondContact O-N 3.29Å; M2828-V2830 HydrophobicContact SD-CG2 4.17Å; V2830-T2832 HydrophobicContact CG1-CG2 4.2Å
2831	K	29.9	Very low	30.6	Very low	187.2 Å²	187.2	139.8 Å²	139.8	81%	0.814	76%	0.761	S	S	*	*			trans	-35.3	128.7	165.8	-68.3	175.8	-177.7	177.7	0	113.5	I2829	I2829-K2831 HydrophobicContact CG2-CG 4.16Å; I2829-K2831 PolarHBondContact O-N 3.25Å; I2829-K2831 VanDerWaalsContact O-N 3.17Å
2832	T	32.5	Very low	30.6	Very low	128.8 Å²	128.8	136.8 Å²	136.8	79%	0.79	76%	0.758	S	S	*	*				-124.7	131.7	122.6	38.6	0	0	0	0	110.5	V2830	V2830-T2832 HydrophobicContact CG1-CG2 4.2Å
2833	N	26.5	Very low	30.6	Very low	141.4 Å²	141.4	136.1 Å²	136.1	76%	0.756	76%	0.755	S	S	*	*			trans	24.1	137.4	145.1	-139.4	15.1	0	0	0	115.6
2834	V	33.2	Very low	30.7	Very low	121.6 Å²	121.6	134.5 Å²	134.5	74%	0.737	75%	0.753	S	S	*	*				164.7	121.2	129.1	168.3	0	0	0	0	112
2835	N	31.4	Very low	30.5	Very low	126.6 Å²	126.6	138.4 Å²	138.4	68%	0.677	76%	0.757	S	S	*	*			trans	52.6	150.7	143.7	-71.5	8.1	0	0	0	117.3
2836	D	30.7	Very low	30.4	Very low	139.8 Å²	139.8	140.2 Å²	140.2	75%	0.748	76%	0.758	S	S	*	*				146.4	123.5	91.5	-88.2	-31.3	0	0	0	115.3
2837	S	31.8	Very low	30.3	Very low	108.2 Å²	108.2	138.7 Å²	138.7	76%	0.757	75%	0.754	S	S	*	*			trans	145.5	120.2	149.8	115.3	0	0	0	0	113.6
2838	K	31.7	Very low	30.3	Very low	183.2 Å²	183.2	135.5 Å²	135.5	80%	0.797	75%	0.747	S	S	*	*				75.1	121	82.9	-77.9	-179.7	179.4	176.2	0	112.7
2839	Q	30.4	Very low	30.2	Very low	175.4 Å²	175.4	136.7 Å²	136.7	82%	0.82	75%	0.751	S	S	*	*				95.3	131.3	126.6	-78.5	173.7	-34.2	0	0	114
2840	S	28.7	Very low	29.9	Very low	106.2 Å²	106.2	132.6 Å²	132.6	74%	0.743	74%	0.744	S	S	*	*				98.4	148.3	108.1	69.7	0	0	0	0	113.8
2841	S	31.6	Very low	29.8	Very low	104 Å²	104	134.8 Å²	134.8	73%	0.727	75%	0.751	S	S	*	*				-148.6	148.2	106.7	-79.9	0	0	0	0	112.2	S2843	S2841-S2843 PolarHBondContact O-N 3.4Å
2842	N	28.8	Very low	29.8	Very low	140.4 Å²	140.4	134 Å²	134	75%	0.751	75%	0.75	S	S	*	*			trans	60.5	144.3	162.1	-71.7	-6.7	0	0	0	116	C2822 N2823 S2844	C2822-N2842 HydrophobicContact CB-CB 3.82Å; C2822-N2842 WeakPolarHBondContact SG-CB 3.27Å; C2822-N2842 PolarHBondContact SG-ND2 3.32Å; N2823-N2842 VanDerWaalsContact CG-CG 3.42Å; N2823-N2842 VanDerWaalsContact ND2-CG 3.33Å; N2823-N2842 PolarHBondContact ND2-OD1 2.74Å; N2823-N2842 VanDerWaalsContact OD1-CA 3.29Å; N2823-N2842 WeakPolarHBondContact OD1-CA 3.31Å; N2823-N2842 VanDerWaalsContact OD1-CB 3.27Å; N2823-N2842 WeakPolarHBondContact OD1-CB 3.34Å; N2823-N2842 PolarHBondContact OD1-OD1 3.32Å; N2823-N2842 VanDerWaalsContact OD1-OD1 3.08Å; N2842-S2844 PolarHBondContact O-N 3.1Å
2843	S	28.7	Very low	29.7	Very low	94.2 Å²	94.2	132.8 Å²	132.8	66%	0.659	75%	0.747	S	S	*	*			trans	-179.2	143.8	136.6	179.7	0	0	0	0	116.7	C2822 N2823 S2841	C2822-S2843 VanDerWaalsContact C-OG 3.24Å; C2822-S2843 WeakPolarHBondContact CA-OG 3.3Å; C2822-S2843 PolarHBondContact N-O 2.78Å; N2823-S2843 WeakPolarHBondContact CA-OG 3.32Å; N2823-S2843 PolarHBondContact N-OG 3.05Å; N2823-S2843 VanDerWaalsContact N-OG 3.1Å; S2841-S2843 PolarHBondContact O-N 3.4Å
2844	S	29.9	Very low	29.9	Very low	95.2 Å²	95.2	133.9 Å²	133.9	67%	0.666	75%	0.748	S	S	*	*			trans	41.3	126.8	150.2	14.7	0	0	0	0	117.8	Y2821 C2822 N2842	Y2821-S2844 CarbonylContact C-O 3.5Å; Y2821-S2844 WeakPolarHBondContact CA-O 3.43Å; Y2821-S2844 WeakPolarHBondContact CB-O 3.37Å; C2822-S2844 PolarHBondContact N-O 3.12Å; N2842-S2844 PolarHBondContact O-N 3.1Å
2845	R	27.5	Very low	29.8	Very low	234.2 Å²	234.2	133.3 Å²	133.3	88%	0.884	75%	0.749	S	S	*	*				102.7	131.2	114.4	-151.1	175.7	167.6	162.3	0.5	116.3
2846	S	29	Very low	29.7	Very low	108.8 Å²	108.8	133.6 Å²	133.6	76%	0.761	75%	0.751	S	S	*	*			trans	-146.1	137.6	161.2	-23.7	0	0	0	0	114.1
2847	N	26.5	Very low	29.7	Very low	152.4 Å²	152.4	136.8 Å²	136.8	82%	0.815	75%	0.752	S	S	*	*				159.6	144.4	115.2	-122.6	6.7	0	0	0	115.1
2848	S	28.6	Very low	29.7	Very low	90.6 Å²	90.6	138.4 Å²	138.4	63%	0.634	75%	0.752	S	S	*	*			trans	-133.7	145.6	167.6	40.3	0	0	0	0	111.8
2849	Q	30.5	Very low	29.6	Very low	179.8 Å²	179.8	135.1 Å²	135.1	84%	0.84	75%	0.747	S	S	*	*				98.2	133.4	124.9	-75.8	-88.2	2.3	0	0	113.1
2850	G	27.2	Very low	29.5	Very low	56.6 Å²	56.6	134.8 Å²	134.8	58%	0.584	75%	0.748	S	S	*	*			trans	174.4	124.5	172.6	0	0	0	0	0	115.8
2851	L	30.4	Very low	29.5	Very low	156.4 Å²	156.4	136.2 Å²	136.2	82%	0.819	75%	0.746	S	S	*	*			trans	69.1	133.8	160.4	-63.8	175.2	0	0	0	113.2
2852	Q	30.4	Very low	29.4	Very low	169.8 Å²	169.8	139.6 Å²	139.6	79%	0.793	75%	0.75	S	S	*	*				172.4	147	116.5	-127.4	165.8	-6	0	0	112.7	Q2854	Q2852-Q2854 HydrophobicContact CG-CG 4.48Å; Q2852-Q2854 PolarHBondContact O-N 3.18Å
2853	S	29.9	Very low	29.5	Very low	103.6 Å²	103.6	138.1 Å²	138.1	72%	0.724	75%	0.746	S	S	*	*			trans	174.9	123.4	141	-149.8	0	0	0	0	113.6
2854	Q	32	Very low	29.5	Very low	165.4 Å²	165.4	139.9 Å²	139.9	77%	0.773	75%	0.753	S	S	*	*			trans	53.2	130.9	148.2	-79	-168.3	4.2	0	0	117.1	Q2852	Q2852-Q2854 HydrophobicContact CG-CG 4.48Å; Q2852-Q2854 PolarHBondContact O-N 3.18Å
2855	S	30.2	Very low	29.5	Very low	108.4 Å²	108.4	140.4 Å²	140.4	76%	0.758	76%	0.757	S	S	*	*			trans	-116.4	119.6	147.1	-66.6	0	0	0	0	115.2	R2857 K3092	S2855-R2857 PolarHBondContact O-N 2.89Å; S2855-K3092 PolarHBondContact OG-NZ 2.97Å
2856	N	30.3	Very low	29.6	Very low	134 Å²	134	140 Å²	140	72%	0.717	76%	0.755	S	S	*	*			trans	-105.4	130.2	164.3	-87.9	-29.6	0	0	0	110.5	P2753 L2858 K3092	P2753-N2856 HydrophobicContact CB-CB 3.93Å; P2753-N2856 HydrophobicContact CG-CB 3.75Å; P2753-N2856 WeakPolarHBondContact CG-ND2 2.85Å; N2856-L2858 HydrophobicContact CB-CG 4.4Å; N2856-K3092 WeakPolarHBondContact O-CE 3.14Å
2857	R	30.6	Very low	29.5	Very low	205.2 Å²	205.2	140.5 Å²	140.5	77%	0.774	76%	0.757	S	S	*	*			trans	-143.4	123.4	152.8	-127.1	177.5	139.8	-176.7	-0.6	110.1	S2754 S2755 P2756 G2757 S2855 T2859 S3091 K3092	S2754-R2857 WeakPolarHBondContact O-CA 3.14Å; S2754-R2857 VanDerWaalsContact O-CG 3.32Å; S2754-R2857 WeakPolarHBondContact O-CG 3.48Å; S2755-R2857 VanDerWaalsContact CA-C 3.47Å; S2755-R2857 VanDerWaalsContact CB-O 3.24Å; S2755-R2857 WeakPolarHBondContact CB-O 3.2Å; S2755-R2857 PolarHBondContact OG-O 3.25Å; P2756-R2857 PolarHBondContact O-NE 2.85Å; P2756-R2857 PolarHBondContact O-NH1 3.07Å; P2756-R2857 PolarHBondContact O-NH2 3.23Å; G2757-R2857 PolarHBondContact O-NH2 3.41Å; G2757-R2857 VanDerWaalsContact O-NH2 3.14Å; S2855-R2857 PolarHBondContact O-N 2.89Å; R2857-T2859 PolarHBondContact O-N 3.07Å; R2857-S3091 PolarHBondContact NE-OG 3.26Å; R2857-S3091 PolarHBondContact NH2-OG 2.88Å; R2857-K3092 HydrophobicContact CG-CD 3.95Å; R2857-K3092 HydrophobicContact CG-CG 3.81Å
2858	L	31.2	Very low	29.7	Very low	142.4 Å²	142.4	139.3 Å²	139.3	75%	0.746	76%	0.755	S	S	*	*			trans	-42.3	111	172.7	-79.9	160.5	0	0	0	116.1	P2753 S2754 S2755 N2856 M2860	P2753-L2858 HydrophobicContact CB-CB 4.03Å; S2754-L2858 VanDerWaalsContact CA-C 3.45Å; S2754-L2858 PolarHBondContact O-N 3.38Å; S2755-L2858 VanDerWaalsContact CB-CA 3.48Å; S2755-L2858 VanDerWaalsContact CB-N 3.28Å; N2856-L2858 HydrophobicContact CB-CG 4.4Å; L2858-M2860 HydrophobicContact CD2-CG 4.23Å
2859	T	29	Very low	29.8	Very low	114.6 Å²	114.6	141.2 Å²	141.2	70%	0.703	76%	0.758	S	S	*	*			trans	-85.9	154.5	145.5	44	0	0	0	0	113	S2754 S2755 R2857 I2861 S3090	S2754-T2859 VanDerWaalsContact C-OG1 3.27Å; S2754-T2859 VanDerWaalsContact CA-OG1 3.25Å; S2754-T2859 WeakPolarHBondContact CA-OG1 3.35Å; S2754-T2859 VanDerWaalsContact CB-CG2 3.46Å; S2754-T2859 WeakPolarHBondContact CB-OG1 3.22Å; S2755-T2859 WeakPolarHBondContact CB-O 3.37Å; S2755-T2859 PolarHBondContact N-OG1 3.15Å; R2857-T2859 PolarHBondContact O-N 3.07Å; T2859-I2861 PolarHBondContact O-N 3.25Å; T2859-I2861 VanDerWaalsContact O-N 3.07Å; T2859-S3090 PolarHBondContact O-OG 2.8Å; T2859-S3090 PolarHBondContact OG1-O 3.37Å
2860	M	28.3	Very low	29.8	Very low	169.6 Å²	169.6	140.5 Å²	140.5	84%	0.835	76%	0.755	S	S	*	*			trans	-105.5	132.7	164.9	-68.1	-155	-57.9	0	0	111.6	L2858 S3090	L2858-M2860 HydrophobicContact CD2-CG 4.23Å; M2860-S3090 WeakPolarHBondContact O-CB 3.25Å
2861	I	29.2	Very low	30	Very low	135.6 Å²	135.6	144.8 Å²	144.8	70%	0.695	76%	0.763	S	S	*	*			trans	-131.6	115.7	143.5	-70.2	172.3	0	0	0	108.3	T2859 T2863	T2859-I2861 PolarHBondContact O-N 3.25Å; T2859-I2861 VanDerWaalsContact O-N 3.07Å; I2861-T2863 HydrophobicContact CG2-CG2 4.27Å; I2861-T2863 PolarHBondContact O-N 2.85Å; I2861-T2863 VanDerWaalsContact O-N 3.17Å
2862	E	28.7	Very low	30.1	Very low	173.4 Å²	173.4	144.6 Å²	144.6	81%	0.81	76%	0.761	S	S	*	*			trans	-76.4	127.5	155.2	-146.9	-174.3	174.7	0	0	112.4
2863	T	31.9	Very low	30.2	Very low	110.4 Å²	110.4	142.8 Å²	142.8	68%	0.677	76%	0.755	S	S	*	*			trans	-151.1	119.3	157.7	38.8	0	0	0	0	112.7	I2861 S2865	I2861-T2863 HydrophobicContact CG2-CG2 4.27Å; I2861-T2863 PolarHBondContact O-N 2.85Å; I2861-T2863 VanDerWaalsContact O-N 3.17Å; T2863-S2865 PolarHBondContact O-N 3.09Å
2864	T	28.5	Very low	30.4	Very low	131.6 Å²	131.6	142.6 Å²	142.6	81%	0.807	75%	0.752	S	S	*	*			trans	38.9	122.9	149.5	55.1	0	0	0	0	118.5
2865	S	28.8	Very low	30.2	Very low	105.4 Å²	105.4	142.1 Å²	142.1	74%	0.737	75%	0.754	S	S	*	*				-153.8	135.2	126.7	39.8	0	0	0	0	111.6	T2863 C2867	T2863-S2865 PolarHBondContact O-N 3.09Å; S2865-C2867 PolarHBondContact O-N 3.41Å
2866	R	29.6	Very low	30.3	Very low	225.8 Å²	225.8	144.2 Å²	144.2	85%	0.852	76%	0.755	S	S	*	*			trans	55.9	119.7	152.4	-66	-179.3	-179.9	-157.2	-0.3	114.3
2867	C	28.9	Very low	30.4	Very low	118.8 Å²	118.8	142.7 Å²	142.7	80%	0.803	76%	0.755	S	S	*	*			trans	-126.8	130.1	144.7	-68.3	0	0	0	0	112.2	S2865	S2865-C2867 PolarHBondContact O-N 3.41Å
2868	V	30	Very low	30.4	Very low	127 Å²	127	139.9 Å²	139.9	77%	0.77	76%	0.756	S	S	*	*			trans	-119.3	118.8	163	-177.3	0	0	0	0	112.5
2869	D	30.4	Very low	30.6	Very low	131.6 Å²	131.6	139.3 Å²	139.3	70%	0.704	76%	0.758	S	S	*	*			trans	-43.3	130.3	158.7	-72.3	-55.6	0	0	0	115.4	I2871	D2869-I2871 PolarHBondContact O-N 3.23Å
2870	H	31.1	Very low	30.6	Very low	165.8 Å²	165.8	144.7 Å²	144.7	77%	0.768	77%	0.766	S	S	*	*			trans	-159.1	106.9	132.7	-86.7	51	0	0	0	112.8	I2872	H2870-I2872 PolarHBondContact O-N 3.2Å; H2870-I2872 VanDerWaalsContact O-N 3.08Å
2871	I	31.4	Very low	30.7	Very low	146.2 Å²	146.2	146.8 Å²	146.8	75%	0.75	76%	0.764	S	S	*	*			trans	-41.7	116.7	154.8	-62.7	176	0	0	0	113	D2869 I2873	D2869-I2871 PolarHBondContact O-N 3.23Å; I2871-I2873 HydrophobicContact CG2-CB 4.38Å; I2871-I2873 HydrophobicContact CG2-CD1 3.86Å; I2871-I2873 HydrophobicContact CG2-CG1 3.89Å; I2871-I2873 PolarHBondContact O-N 3.39Å
2872	I	32.9	Very low	30.8	Very low	151.8 Å²	151.8	146.1 Å²	146.1	78%	0.778	77%	0.766	S	S	*	*			trans	-93.6	126.4	170.2	-62.2	174.2	0	0	0	109.5	H2870 P2874	H2870-I2872 PolarHBondContact O-N 3.2Å; H2870-I2872 VanDerWaalsContact O-N 3.08Å; I2872-P2874 WeakPolarHBondContact O-CD 3.29Å
2873	I	31.3	Very low	30.9	Very low	132 Å²	132	145.8 Å²	145.8	68%	0.677	76%	0.764	S	S	*	*			trans	-105	127.1	175.3	-71.1	172.6	0	0	0	108.5	I2871 N2875	I2871-I2873 HydrophobicContact CG2-CB 4.38Å; I2871-I2873 HydrophobicContact CG2-CD1 3.86Å; I2871-I2873 HydrophobicContact CG2-CG1 3.89Å; I2871-I2873 PolarHBondContact O-N 3.39Å; I2873-N2875 PolarHBondContact O-N 3.43Å; I2873-N2875 VanDerWaalsContact O-N 3.15Å
2874	P	33.7	Very low	30.8	Very low	100.4 Å²	100.4	147.2 Å²	147.2	65%	0.652	77%	0.766	S	S	*	*				-114.1	153	104.3	19.7	-2.6	0	0	0	113.5	I2872 I2876	I2872-P2874 WeakPolarHBondContact O-CD 3.29Å; P2874-I2876 PolarHBondContact O-N 3.01Å
2875	N	28.6	Very low	30.8	Very low	153.2 Å²	153.2	147.3 Å²	147.3	82%	0.819	76%	0.762	S	S	*	*			trans	-92.7	128.7	150.8	-125.2	-12.5	0	0	0	112.3	I2873	I2873-N2875 PolarHBondContact O-N 3.43Å; I2873-N2875 VanDerWaalsContact O-N 3.15Å
2876	I	33	Very low	30.8	Very low	154 Å²	154	148 Å²	148	79%	0.79	76%	0.757	S	S	*	*			trans	-95	126.9	175.4	-29.6	174.6	0	0	0	110	P2874	P2874-I2876 PolarHBondContact O-N 3.01Å
2877	S	31	Very low	30.9	Very low	101.8 Å²	101.8	144.7 Å²	144.7	71%	0.712	75%	0.752	S	S	*	*			trans	-93.2	133.9	175.3	-55.4	0	0	0	0	113.2	T2879	S2877-T2879 PolarHBondContact O-N 3.08Å; S2877-T2879 PolarHBondContact O-OG1 3.39Å
2878	D	31.5	Very low	30.8	Very low	147.2 Å²	147.2	143.9 Å²	143.9	79%	0.787	75%	0.746	S	S	*	*			trans	-84.1	137.5	149.7	-104.5	-49.5	0	0	0	112.9	R2880	D2878-R2880 PolarHBondContact O-N 2.88Å
2879	T	34	Very low	30.9	Very low	129.8 Å²	129.8	144.5 Å²	144.5	80%	0.796	74%	0.744	S	S	*	*			trans	-97.8	106.1	172.2	13.1	0	0	0	0	113.7	S2877 R2881	S2877-T2879 PolarHBondContact O-N 3.08Å; S2877-T2879 PolarHBondContact O-OG1 3.39Å; T2879-R2881 PolarHBondContact O-N 3.29Å
2880	R	29.8	Very low	31	Very low	227 Å²	227	144.3 Å²	144.3	86%	0.857	74%	0.742	S	S	*	*			trans	-58.5	132.7	162.8	-70.4	-178.4	177.5	-169.7	-0.6	114.5	D2878	D2878-R2880 PolarHBondContact O-N 2.88Å
2881	R	31.2	Very low	31.2	Very low	215 Å²	215	142.7 Å²	142.7	81%	0.811	74%	0.739	S	S	*	*			trans	87.7	124.2	146.6	-79.6	-167.2	166.8	-155.4	-3.6	116.4	T2879	T2879-R2881 PolarHBondContact O-N 3.29Å
2882	V	31.1	Very low	31.3	Very low	119.6 Å²	119.6	143.2 Å²	143.2	73%	0.725	74%	0.738	S	S	*	*				56.7	119.8	125.7	177.4	0	0	0	0	114.5
2883	Q	30	Very low	31.6	Very low	167.2 Å²	167.2	140.9 Å²	140.9	78%	0.781	73%	0.734	S	S	*	*				166.2	142.5	120.5	-102.1	-179	-11.1	0	0	112.9
2884	I	29.7	Very low	31.6	Very low	140 Å²	140	140.9 Å²	140.9	72%	0.718	73%	0.732	S	S	*	*			trans	-141.2	127.2	152	-66.4	167.9	0	0	0	108.9	N2886	I2884-N2886 WeakPolarHBondContact CG2-OD1 3.28Å
2885	N	28.7	Very low	31.8	Very low	133.4 Å²	133.4	143.5 Å²	143.5	71%	0.713	74%	0.736	S	S	*	*			trans	178.1	118.9	143	-136.9	12.3	0	0	0	114.1	Q2887	N2885-Q2887 PolarHBondContact O-N 3.12Å
2886	N	29.5	Very low	32.1	Very low	120 Å²	120	145.7 Å²	145.7	64%	0.642	73%	0.733	S	S	*	*			trans	-15.2	124.5	151.8	-58.8	-24.6	0	0	0	114.6	I2884	I2884-N2886 WeakPolarHBondContact CG2-OD1 3.28Å
2887	Q	31.1	Very low	32.1	Very low	157.2 Å²	157.2	147.6 Å²	147.6	74%	0.735	73%	0.731	S	S	*	*				-166.4	130.3	111.4	-166.8	79.2	36.4	0	0	109.9	N2885 L2889	N2885-Q2887 PolarHBondContact O-N 3.12Å; Q2887-L2889 HydrophobicContact CG-CD1 4.24Å
2888	C	26.2	Very low	32.3	Very low	102 Å²	102	149.7 Å²	149.7	69%	0.689	73%	0.734	S	S	*	*			trans	-71.9	139	172	-135.3	0	0	0	0	113
2889	L	33	Very low	32.6	Very low	139.4 Å²	139.4	148.7 Å²	148.7	73%	0.73	73%	0.733	S	S	*	*			trans	-157	127.6	136.5	-109	154.5	0	0	0	108.3	Q2887 T3586	Q2887-L2889 HydrophobicContact CG-CD1 4.24Å; L2889-T3586 HydrophobicContact CD1-CG2 4.14Å
2890	I	32.3	Very low	32.8	Very low	127 Å²	127	148 Å²	148	65%	0.651	73%	0.731	S	S	*	*			trans	158.6	122	144.8	-65.6	166.6	0	0	0	108.2
2891	D	35.2	Very low	32.8	Very low	133 Å²	133	146.8 Å²	146.8	71%	0.711	73%	0.728	S	S	*	*				-129.3	128.8	111.9	-85.5	-47.4	0	0	0	112.6	P2893 N3588	D2891-P2893 WeakPolarHBondContact O-CD 3.48Å; D2891-N3588 PolarHBondContact OD1-ND2 3.35Å
2892	E	32.5	Very low	33	Very low	156 Å²	156	143.6 Å²	143.6	73%	0.729	73%	0.725	S	S	*	*			trans	-102.2	135.3	170.1	-105.8	-106.9	167.8	0	0	115.8	M2894	E2892-M2894 PolarHBondContact O-N 2.84Å
2893	P	40.2	Very low	33.2	Very low	104.6 Å²	104.6	142.2 Å²	142.2	68%	0.679	72%	0.719	S	S	*	*			trans	-112.3	124.8	-156.6	40.4	-30.8	0	0	0	114.3	D2891 E2895	D2891-P2893 WeakPolarHBondContact O-CD 3.48Å; P2893-E2895 PolarHBondContact O-N 2.97Å
2894	M	30.5	Very low	33.2	Very low	132 Å²	132	141.6 Å²	141.6	65%	0.65	72%	0.716	S	S	*	*			trans	21.5	115.4	143.9	-161.2	177.6	62	0	0	115.9	E2892 R2896	E2892-M2894 PolarHBondContact O-N 2.84Å; M2894-R2896 HydrophobicContact CG-CG 4.29Å; M2894-R2896 HydrophobicContact SD-CG 4.46Å
2895	E	37.9	Very low	33.4	Very low	154.2 Å²	154.2	143 Å²	143	72%	0.721	72%	0.719	S	S	*	*			trans	-26.2	132.3	144.5	-77.9	-171.1	164.1	0	0	115.2	P2893 Y2897	P2893-E2895 PolarHBondContact O-N 2.97Å; E2895-Y2897 HydrophobicContact CB-CE2 4.26Å; E2895-Y2897 WeakPolarHBondContact OE2-CE2 3.12Å
2896	R	35.7	Very low	33.5	Very low	200.2 Å²	200.2	144.6 Å²	144.6	76%	0.755	72%	0.722	S	S	*	*			trans	-105.3	139.6	158.5	-66.7	-173.8	-172.1	-149.5	0.7	111.2	M2894 D2898	M2894-R2896 HydrophobicContact CG-CG 4.29Å; M2894-R2896 HydrophobicContact SD-CG 4.46Å; R2896-D2898 PolarHBondContact O-N 3.1Å; R2896-D2898 VanDerWaalsContact O-N 3.16Å
2897	Y	33.1	Very low	33.8	Very low	193.6 Å²	193.6	146.1 Å²	146.1	76%	0.759	73%	0.729	S	S	*	*			trans	-98	129.4	163.2	-76.6	-86.1	0	0	0	111	E2895 T2899	E2895-Y2897 HydrophobicContact CB-CE2 4.26Å; E2895-Y2897 WeakPolarHBondContact OE2-CE2 3.12Å; Y2897-T2899 VanDerWaalsContact C-N 3.25Å; Y2897-T2899 PolarHBondContact O-N 3.03Å; Y2897-T2899 VanDerWaalsContact O-N 3.08Å
2898	D	34.3	Very low	33.7	Very low	146.2 Å²	146.2	147.5 Å²	147.5	78%	0.782	73%	0.732	S	S	*	*			trans	-115.6	123.1	145.8	-101.5	-36.3	0	0	0	111.3	R2896 P2900	R2896-D2898 PolarHBondContact O-N 3.1Å; R2896-D2898 VanDerWaalsContact O-N 3.16Å; D2898-P2900 WeakPolarHBondContact O-CD 3.22Å
2899	T	38.8	Very low	33.9	Very low	125 Å²	125	149.7 Å²	149.7	77%	0.767	74%	0.736	S	S	*	*			trans	-89.7	123.1	173.7	-19.1	0	0	0	0	111.5	Y2897 Y2901	Y2897-T2899 VanDerWaalsContact C-N 3.25Å; Y2897-T2899 PolarHBondContact O-N 3.03Å; Y2897-T2899 VanDerWaalsContact O-N 3.08Å; T2899-Y2901 PolarHBondContact O-N 3.1Å
2900	P	37.1	Very low	33.8	Very low	115 Å²	115	150.4 Å²	150.4	75%	0.747	74%	0.741	S	S	*	*			trans	-100.6	145.6	155	16.6	-5.7	0	0	0	113.7	D2898 I2902	D2898-P2900 WeakPolarHBondContact O-CD 3.22Å; P2900-I2902 PolarHBondContact O-N 3.27Å
2901	Y	30.3	Very low	33.6	Very low	202.6 Å²	202.6	149 Å²	149	80%	0.795	74%	0.742	S	S	*	*			trans	-92	110.4	147.6	-164.8	-95.7	0	0	0	114.3	T2899 P2903	T2899-Y2901 PolarHBondContact O-N 3.1Å; Y2901-P2903 HydrophobicContact CD1-CB 4.37Å; Y2901-P2903 HydrophobicContact CD1-CG 4.15Å; Y2901-P2903 HydrophobicContact CE1-CB 4.21Å; Y2901-P2903 HydrophobicContact CE1-CG 4.18Å
2902	I	36.1	Very low	33.4	Very low	146.8 Å²	146.8	148.3 Å²	148.3	75%	0.753	75%	0.748	S	S	*	*			trans	-92	127.1	160.9	-62.9	175.6	0	0	0	109.8	P2900 H2904	P2900-I2902 PolarHBondContact O-N 3.27Å; I2902-H2904 PolarHBondContact O-N 3.45Å
2903	P	35	Very low	33.3	Very low	90 Å²	90	146 Å²	146	58%	0.584	75%	0.749	S	S	*	*			trans	-93.9	142.1	162.3	22.7	-14.2	0	0	0	114.4	Y2901 E2905	Y2901-P2903 HydrophobicContact CD1-CB 4.37Å; Y2901-P2903 HydrophobicContact CD1-CG 4.15Å; Y2901-P2903 HydrophobicContact CE1-CB 4.21Å; Y2901-P2903 HydrophobicContact CE1-CG 4.18Å; P2903-E2905 PolarHBondContact O-N 3.32Å
2904	H	30.4	Very low	32.8	Very low	155.4 Å²	155.4	146.8 Å²	146.8	72%	0.719	76%	0.756	S	S	*	*			trans	-44.8	130.1	163.7	-78.3	-53	0	0	0	115.2	I2902 H2906	I2902-H2904 PolarHBondContact O-N 3.45Å; H2904-H2906 AromaticContact CD2-NE2 3.61Å; H2904-H2906 AromaticContact CG-NE2 3.82Å; H2904-H2906 PolarHBondContact O-N 3.47Å; H2904-H2906 VanDerWaalsContact O-N 3.16Å
2905	E	34.1	Very low	32.8	Very low	169.2 Å²	169.2	151.5 Å²	151.5	79%	0.791	77%	0.766	S	S	*	*			trans	-139.7	135.3	157.5	-83.4	-169.8	-152.6	0	0	112.5	P2903 I2907	P2903-E2905 PolarHBondContact O-N 3.32Å; E2905-I2907 PolarHBondContact O-N 3.07Å
2906	H	31.2	Very low	32.6	Very low	166.4 Å²	166.4	152.6 Å²	152.6	77%	0.77	77%	0.771	S	S	*	*			trans	-90.5	125.6	179.8	-66.6	-77.1	0	0	0	111.6	H2904 K2908	H2904-H2906 AromaticContact CD2-NE2 3.61Å; H2904-H2906 AromaticContact CG-NE2 3.82Å; H2904-H2906 PolarHBondContact O-N 3.47Å; H2904-H2906 VanDerWaalsContact O-N 3.16Å; H2906-K2908 PolarHBondContact O-N 3.46Å
2907	I	33.9	Very low	32.6	Very low	153 Å²	153	148.9 Å²	148.9	79%	0.785	77%	0.773	S	S	*	*			trans	-123.5	98.1	166.1	-53.3	-178.6	0	0	0	110.9	E2905 L2909	E2905-I2907 PolarHBondContact O-N 3.07Å; I2907-L2909 HydrophobicContact CG2-CD1 4.07Å; I2907-L2909 HydrophobicContact CG2-CD2 3.9Å; I2907-L2909 HydrophobicContact CG2-CG 3.85Å; I2907-L2909 PolarHBondContact O-N 3.02Å; I2907-L2909 VanDerWaalsContact O-N 3.07Å
2908	K	30.9	Very low	32.6	Very low	186.4 Å²	186.4	144.5 Å²	144.5	81%	0.81	77%	0.771	S	S	*	*			trans	-80.4	109.1	149.9	-97.7	178.5	175.8	177.7	0	111.5	H2906 N2910	H2906-K2908 PolarHBondContact O-N 3.46Å; K2908-N2910 PolarHBondContact O-N 2.93Å; K2908-N2910 VanDerWaalsContact O-N 3.13Å
2909	L	30.2	Very low	32.6	Very low	148.2 Å²	148.2	146.2 Å²	146.2	78%	0.776	77%	0.774	S	S	*	*			trans	0	97.3	130.2	-65.3	178.2	0	0	0	113.1	I2907 S2911	I2907-L2909 HydrophobicContact CG2-CD1 4.07Å; I2907-L2909 HydrophobicContact CG2-CD2 3.9Å; I2907-L2909 HydrophobicContact CG2-CG 3.85Å; I2907-L2909 PolarHBondContact O-N 3.02Å; I2907-L2909 VanDerWaalsContact O-N 3.07Å; L2909-S2911 PolarHBondContact O-N 3.24Å
2910	N	30.2	Very low	32.3	Very low	154.2 Å²	154.2	146.1 Å²	146.1	83%	0.825	78%	0.777	S	S	*	*			trans	-122.7	117.2	153.3	-79.2	-11.4	0	0	0	107.4	K2908	K2908-N2910 PolarHBondContact O-N 2.93Å; K2908-N2910 VanDerWaalsContact O-N 3.13Å
2911	S	28.6	Very low	32.4	Very low	97.8 Å²	97.8	146.1 Å²	146.1	68%	0.684	78%	0.777	S	S	*	*				179.8	110	128.6	-56.1	0	0	0	0	114	L2909 S2913	L2909-S2911 PolarHBondContact O-N 3.24Å; S2911-S2913 PolarHBondContact O-N 2.86Å
2912	S	30.5	Very low	32.6	Very low	117.6 Å²	117.6	143.9 Å²	143.9	82%	0.822	78%	0.779	S	S	*	*			trans	-65.7	106	149.8	55.8	0	0	0	0	112
2913	S	29.7	Very low	32.9	Very low	108.4 Å²	108.4	141.3 Å²	141.3	76%	0.758	78%	0.78	S	S	*	*				151.6	109.9	94.3	-162.5	0	0	0	0	112.3	S2911 R2915	S2911-S2913 PolarHBondContact O-N 2.86Å; S2913-R2915 PolarHBondContact O-N 3.37Å
2914	C	30.1	Very low	32.9	Very low	121.2 Å²	121.2	145.8 Å²	145.8	82%	0.819	79%	0.793	S	S	*	*			trans	155.9	120	142.4	-85.4	0	0	0	0	116
2915	R	31.3	Very low	33.1	Very low	230.4 Å²	230.4	148.3 Å²	148.3	87%	0.869	80%	0.798	S	S	*	*			trans	77.3	117.6	143.8	-141.2	175.1	-170.5	166	1.1	117.2	S2913	S2913-R2915 PolarHBondContact O-N 3.37Å
2916	E	32.2	Very low	33.3	Very low	176.4 Å²	176.4	146.3 Å²	146.3	82%	0.824	80%	0.796	S	S	*	*			trans	9.7	142.8	130.3	-73.4	175.6	135.4	0	0	114.8	S2918	E2916-S2918 PolarHBondContact O-N 3.43Å
2917	P	36.6	Very low	33.6	Very low	123.6 Å²	123.6	141.5 Å²	141.5	80%	0.803	79%	0.792	S	S	*	*			trans	-91.5	154.7	-163.9	29.6	-24.2	0	0	0	112.9
2918	S	33.9	Very low	33.6	Very low	101.6 Å²	101.6	140.4 Å²	140.4	71%	0.71	79%	0.793	S	S	*	*			trans	-105.3	141.2	155.3	146.9	0	0	0	0	111.7	E2916 C2920	E2916-S2918 PolarHBondContact O-N 3.43Å; S2918-C2920 PolarHBondContact O-N 2.86Å
2919	E	34	Very low	33.7	Very low	181.2 Å²	181.2	136.2 Å²	136.2	85%	0.847	79%	0.792	S	S	*	*			trans	-13.2	126.9	153.5	-73.3	157.2	-161.5	0	0	114.7
2920	C	32	Very low	33.9	Very low	121.8 Å²	121.8	134.6 Å²	134.6	82%	0.823	79%	0.794	S	S	*	*			trans	-107.1	149.2	157.4	-66.8	0	0	0	0	109	S2918	S2918-C2920 PolarHBondContact O-N 2.86Å
2921	P	38.2	Very low	34.1	Very low	115.8 Å²	115.8	135.2 Å²	135.2	75%	0.752	80%	0.796	S	S	*	*			trans	-111.4	158.4	142.3	17.3	0	0	0	0	113.4	A2923	P2921-A2923 PolarHBondContact O-N 3.11Å
2922	D	36.5	Very low	34.3	Very low	156.8 Å²	156.8	139.2 Å²	139.2	84%	0.839	80%	0.804	S	S	*	*			trans	-31.6	132.6	150.5	-60.4	-53.5	0	0	0	115.5	E2924	D2922-E2924 PolarHBondContact O-N 2.93Å
2923	A	40.5	Very low	35	Very low	92.4 Å²	92.4	138.9 Å²	138.9	76%	0.764	80%	0.799	S	S	*	*			trans	-115.3	109.6	166.7	0	0	0	0	0	112.8	P2921 Y2925	P2921-A2923 PolarHBondContact O-N 3.11Å; A2923-Y2925 PolarHBondContact O-N 3.22Å
2924	E	36.8	Very low	35	Very low	184.4 Å²	184.4	141.5 Å²	141.5	86%	0.862	80%	0.804	S	S	*	*			trans	13.9	117	155.3	-62.2	-174.9	162.8	0	0	117.6	D2922 V2926	D2922-E2924 PolarHBondContact O-N 2.93Å; E2924-V2926 PolarHBondContact O-N 3.14Å
2925	Y	34.6	Very low	35.2	Very low	208.4 Å²	208.4	141.1 Å²	141.1	82%	0.817	80%	0.803	S	S	*	*			trans	-80.3	120	160.3	-165.9	-98.1	0	0	0	113.1	A2923 G2927	A2923-Y2925 PolarHBondContact O-N 3.22Å; Y2925-G2927 PolarHBondContact O-N 2.8Å
2926	V	38.5	Very low	35.2	Very low	125.4 Å²	125.4	138.4 Å²	138.4	76%	0.76	80%	0.802	S	S	*	*			trans	-82.2	124.2	174.4	-179.5	0	0	0	0	111	E2924 T2928	E2924-V2926 PolarHBondContact O-N 3.14Å; V2926-T2928 HydrophobicContact CG1-CG2 4.14Å; V2926-T2928 PolarHBondContact O-N 3.01Å; V2926-T2928 VanDerWaalsContact O-N 3.15Å
2927	G	36.1	Very low	35.2	Very low	67 Å²	67	134.4 Å²	134.4	69%	0.691	80%	0.8	S	S	*	*			trans	-99.8	134.4	162.9	0	0	0	0	0	113.1	Y2925	Y2925-G2927 PolarHBondContact O-N 2.8Å
2928	T	33.9	Very low	35.1	Very low	129.6 Å²	129.6	134.5 Å²	134.5	80%	0.795	80%	0.797	S	S	*	*			trans	-113.5	142	171.7	55.1	0	0	0	0	110.6	V2926	V2926-T2928 HydrophobicContact CG1-CG2 4.14Å; V2926-T2928 PolarHBondContact O-N 3.01Å; V2926-T2928 VanDerWaalsContact O-N 3.15Å
2929	A	33.9	Very low	35.1	Very low	97.2 Å²	97.2	137.2 Å²	137.2	80%	0.803	80%	0.803	S	S	*	*			trans	-121.4	135.3	167.7	0	0	0	0	0	110.7
2930	S	34.5	Very low	35.1	Very low	114.6 Å²	114.6	134.6 Å²	134.6	80%	0.801	80%	0.8	S	S	*	*			trans	-88.5	117.5	145	-170.1	0	0	0	0	112.8
2931	L	34.2	Very low	35.1	Very low	167.8 Å²	167.8	133.6 Å²	133.6	88%	0.879	79%	0.794	S	S	*	*			trans	-128.8	134.4	155.4	-75.9	173.3	0	0	0	110.8	P2933	L2931-P2933 WeakPolarHBondContact O-CD 3.39Å
2932	E	32.1	Very low	34.9	Very low	180.6 Å²	180.6	136 Å²	136	84%	0.844	80%	0.797	S	S	*	*			trans	-95.3	165.9	172.3	-66.9	-175.3	134.4	0	0	110.5
2933	P	45.4	Very low	35	Very low	111.4 Å²	111.4	134.4 Å²	134.4	72%	0.723	79%	0.793	S	S	*	*				-119.7	147.1	-90.6	22.9	-7.3	0	0	0	111.8	L2931 S2935	L2931-P2933 WeakPolarHBondContact O-CD 3.39Å; P2933-S2935 PolarHBondContact O-N 3.05Å
2934	L	30.6	Very low	35	Very low	163.6 Å²	163.6	137.9 Å²	137.9	86%	0.857	79%	0.794	S	S	*	*			trans	-109.2	132.3	154	-78.6	166.3	0	0	0	115.5	M2936	L2934-M2936 PolarHBondContact O-N 3.09Å
2935	S	33.1	Very low	35.2	Very low	113.2 Å²	113.2	137 Å²	137	79%	0.792	80%	0.795	S	S	*	*			trans	6.5	122.5	161	-65.3	0	0	0	0	115.4	P2933	P2933-S2935 PolarHBondContact O-N 3.05Å
2936	M	32.5	Very low	35.4	Very low	172.8 Å²	172.8	130.4 Å²	130.4	85%	0.851	79%	0.79	S	S	*	*			trans	-81.8	142.8	139.3	-69.3	168.6	38.5	0	0	112.4	L2934 V2938	L2934-M2936 PolarHBondContact O-N 3.09Å; M2936-V2938 PolarHBondContact O-N 3.16Å
2937	A	32.2	Very low	35.4	Very low	94.2 Å²	94.2	132.3 Å²	132.3	78%	0.779	80%	0.795	S	S	*	*			trans	-96.9	141.4	161.5	0	0	0	0	0	110
2938	V	34.2	Very low	35.7	Very low	124.2 Å²	124.2	134.9 Å²	134.9	75%	0.753	80%	0.798	S	S	*	*			trans	-107.8	134.3	-178.4	163	0	0	0	0	108.6	M2936 T2940	M2936-V2938 PolarHBondContact O-N 3.16Å; V2938-T2940 PolarHBondContact O-N 3.37Å
2939	L	34	Very low	35.9	Very low	159.4 Å²	159.4	134 Å²	134	84%	0.835	80%	0.797	S	S	*	*			trans	-89	131.9	175	-74.9	169.8	0	0	0	111.6	S2941	L2939-S2941 PolarHBondContact O-N 2.99Å
2940	T	32.4	Very low	36.4	Very low	126.4 Å²	126.4	134.6 Å²	134.6	78%	0.775	79%	0.794	S	S	*	*			trans	-67.2	110.3	162.9	51	0	0	0	0	112.4	V2938 M2942	V2938-T2940 PolarHBondContact O-N 3.37Å; T2940-M2942 PolarHBondContact O-N 3.11Å
2941	S	33	Very low	36.9	Very low	101.4 Å²	101.4	136.9 Å²	136.9	71%	0.709	80%	0.797	S	S	*	*			trans	-86.7	128.9	142.8	62.8	0	0	0	0	112.7	L2939	L2939-S2941 PolarHBondContact O-N 2.99Å
2942	M	33.8	Very low	37.3	Very low	166.2 Å²	166.2	132 Å²	132	82%	0.819	79%	0.787	S	S	*	*			trans	-118.9	128	149.2	-75.4	175	-38.2	0	0	109.2	T2940	T2940-M2942 PolarHBondContact O-N 3.11Å
2943	T	38.1	Very low	38.1	Very low	122.2 Å²	122.2	131.8 Å²	131.8	75%	0.75	79%	0.786	S	S	*	*			trans	-152	119	144.4	37.3	0	0	0	0	109.1
2944	E	40.4	Very low	38	Very low	165.6 Å²	165.6	134.6 Å²	134.6	77%	0.774	79%	0.789	S	S	*	*				149.1	113.9	103.8	-57.8	173.9	-151.8	0	0	111.1	G2946	E2944-G2946 PolarHBondContact O-N 3.32Å
2945	D	41.9	Very low	38.8	Very low	166.4 Å²	166.4	133 Å²	133	89%	0.89	78%	0.781	S	S	*	*			trans	-138.6	112.7	142.9	-82.3	-41.7	0	0	0	109.6	L2947	D2945-L2947 VanDerWaalsContact C-N 3.31Å; D2945-L2947 PolarHBondContact O-N 3.46Å; D2945-L2947 VanDerWaalsContact O-N 3.16Å
2946	G	39.5	Very low	39.5	Very low	69.2 Å²	69.2	132.3 Å²	132.3	71%	0.713	77%	0.772	S	S	*	*			trans	-130	79.3	-171.3	0	0	0	0	0	115.8	E2944 T2948	E2944-G2946 PolarHBondContact O-N 3.32Å; G2946-T2948 PolarHBondContact O-N 3Å
2947	L	37.8	Very low	40.2	Very low	164.4 Å²	164.4	131.6 Å²	131.6	86%	0.861	77%	0.767	S	S	*	*			trans	-64.9	112.6	159.3	-65.4	179.3	0	0	0	114.5	D2945 S2949	D2945-L2947 VanDerWaalsContact C-N 3.31Å; D2945-L2947 PolarHBondContact O-N 3.46Å; D2945-L2947 VanDerWaalsContact O-N 3.16Å; L2947-S2949 PolarHBondContact O-N 3.22Å
2948	T	42	Very low	41	Very low	123.4 Å²	123.4	133 Å²	133	76%	0.757	76%	0.761	S	S	*	*			trans	0.2	137.9	155.4	51.3	0	0	0	0	116	G2946 C2950	G2946-T2948 PolarHBondContact O-N 3Å; T2948-C2950 PolarHBondContact O-N 3.17Å
2949	S	38.6	Very low	41.8	Very low	109.2 Å²	109.2	134 Å²	134	76%	0.764	76%	0.762	S	S	*	*			trans	-97.6	138	-164.7	51	0	0	0	0	111	L2947	L2947-S2949 PolarHBondContact O-N 3.22Å
2950	C	43.9	Very low	42.5	Very low	109.8 Å²	109.8	133 Å²	133	74%	0.742	76%	0.758	S	S	*	*			trans	-157.9	121	168.7	-63.9	0	0	0	0	111.7	T2948	T2948-C2950 PolarHBondContact O-N 3.17Å
2951	D	44.4	Very low	43.1	Very low	164 Å²	164	130.4 Å²	130.4	88%	0.877	75%	0.749	S	S	*	*			trans	61.4	140.1	153.3	-62.8	-39.8	0	0	0	114.9
2952	G	42.6	Very low	43.5	Very low	63.6 Å²	63.6	132.2 Å²	132.2	66%	0.656	75%	0.751	S	S	*	*			trans	166.4	123.4	-157.5	0	0	0	0	0	109.9	E2954	G2952-E2954 PolarHBondContact O-N 2.89Å
2953	E	48.6	Very low	43.9	Very low	178 Å²	178	131.4 Å²	131.4	83%	0.832	75%	0.75	S	S	*	*			trans	24.6	133	140.9	-33.7	-105.7	141.2	0	0	112.3	Y2582 L2955	Y2582-E2953 HydrophobicContact CE2-CB 3.55Å; Y2582-E2953 VanDerWaalsContact OH-CB 3.29Å; Y2582-E2953 WeakPolarHBondContact OH-CB 3.46Å; E2953-L2955 PolarHBondContact O-N 3.43Å
2954	E	43.6	Very low	43.8	Very low	168.8 Å²	168.8	128.5 Å²	128.5	79%	0.789	74%	0.744	S	S	*	*			cis	-109.5	130.7	7.6	-163.4	-175.5	167.4	0	0	111.3	G2952 T2956	G2952-E2954 PolarHBondContact O-N 2.89Å; E2954-T2956 PolarHBondContact O-N 2.93Å
2955	L	47.3	Very low	43.7	Very low	130.2 Å²	130.2	128 Å²	128	68%	0.682	75%	0.746	S	S	*	*			trans	-67.2	126.4	161.7	-65.2	-179.8	0	0	0	113.6	N2580 F2581 Y2582 E2953 E2957	N2580-L2955 HydrophobicContact CB-CB 3.9Å; N2580-L2955 WeakPolarHBondContact CB-O 3.25Å; N2580-L2955 WeakPolarHBondContact ND2-CB 3.43Å; F2581-L2955 VanDerWaalsContact O-CB 3.29Å; F2581-L2955 WeakPolarHBondContact O-CB 3.33Å; Y2582-L2955 HydrophobicContact CD2-CB 4Å; Y2582-L2955 HydrophobicContact CD2-CG 4.49Å; Y2582-L2955 HydrophobicContact CE1-CD1 3.98Å; Y2582-L2955 HydrophobicContact CE1-CG 4.49Å; Y2582-L2955 HydrophobicContact CE2-CB 3.73Å; Y2582-L2955 HydrophobicContact CE2-CD1 4.17Å; Y2582-L2955 HydrophobicContact CE2-CG 3.82Å; Y2582-L2955 VanDerWaalsContact CE2-N 3.33Å; E2953-L2955 PolarHBondContact O-N 3.43Å; L2955-E2957 PolarHBondContact O-N 3.15Å; L2955-E2957 VanDerWaalsContact O-N 3.12Å
2956	T	47.8	Very low	43.5	Very low	99 Å²	99	128.1 Å²	128.1	61%	0.607	74%	0.741	S	S	*	*			trans	-111.1	113	161.4	24.8	0	0	0	0	113.6	N2578 K2579 E2954 D2958	N2578-T2956 WeakPolarHBondContact O-CG2 3.43Å; K2579-T2956 CarbonylContact O-C 2.81Å; K2579-T2956 WeakPolarHBondContact O-CA 2.9Å; E2954-T2956 PolarHBondContact O-N 2.93Å; T2956-D2958 PolarHBondContact O-N 3.4Å
2957	E	47.2	Very low	43.3	Very low	157.4 Å²	157.4	129.7 Å²	129.7	74%	0.736	74%	0.741	S	S	*	*			trans	-73.5	106.2	150.9	-66.8	164.5	-165.9	0	0	114.1	K2579 N2580 L2955 D2959	K2579-E2957 CarbonylContact C-O 3.57Å; K2579-E2957 CarbonylContact O-C 3.43Å; K2579-E2957 VanDerWaalsContact O-CA 3.3Å; K2579-E2957 WeakPolarHBondContact O-CA 2.93Å; K2579-E2957 PolarHBondContact O-N 3.24Å; N2580-E2957 WeakPolarHBondContact ND2-CB 3.41Å; N2580-E2957 PolarHBondContact ND2-N 3.28Å; N2580-E2957 PolarHBondContact ND2-OE1 3.26Å; N2580-E2957 WeakPolarHBondContact OD1-CB 3.25Å; N2580-E2957 PolarHBondContact OD1-O 2.9Å; N2580-E2957 VanDerWaalsContact OD1-O 3.07Å; L2955-E2957 PolarHBondContact O-N 3.15Å; L2955-E2957 VanDerWaalsContact O-N 3.12Å; E2957-D2959 PolarHBondContact O-N 3.17Å
2958	D	49.1	Very low	43.2	Very low	123.6 Å²	123.6	129.5 Å²	129.5	66%	0.661	74%	0.738	S	S	*	*			trans	-96.2	118.1	154.3	-92.7	-20	0	0	0	113.2	S2577 N2578 K2579 T2956 D2960	S2577-D2958 WeakPolarHBondContact CB-OD2 3.16Å; N2578-D2958 WeakPolarHBondContact CA-OD2 3.45Å; N2578-D2958 PolarHBondContact N-OD2 2.93Å; K2579-D2958 HydrophobicContact CB-CB 4.09Å; K2579-D2958 VanDerWaalsContact CB-CG 3.49Å; K2579-D2958 WeakPolarHBondContact CB-OD1 3.44Å; K2579-D2958 WeakPolarHBondContact CE-OD1 3.44Å; K2579-D2958 VanDerWaalsContact N-CG 3.28Å; K2579-D2958 PolarHBondContact N-OD2 3.08Å; K2579-D2958 IonicContact NZ-OD1 2.65Å; K2579-D2958 PolarHBondContact O-N 3.02Å; K2579-D2958 VanDerWaalsContact O-N 3.1Å; T2956-D2958 PolarHBondContact O-N 3.4Å; D2958-D2960 PolarHBondContact O-N 2.8Å
2959	D	51	Low	43.1	Very low	145 Å²	145	128.9 Å²	128.9	78%	0.775	73%	0.734	S	S	*	*			trans	-80	95.5	163	-108.4	10.4	0	0	0	116.5	K2579 E2957 A2961	K2579-D2959 PolarHBondContact NZ-O 2.8Å; E2957-D2959 PolarHBondContact O-N 3.17Å; D2959-A2961 VanDerWaalsContact C-N 3.28Å; D2959-A2961 HydrophobicContact CB-CB 4.27Å; D2959-A2961 PolarHBondContact O-N 3.1Å; D2959-A2961 VanDerWaalsContact O-N 3.1Å
2960	D	48.6	Very low	43	Very low	138.8 Å²	138.8	130.4 Å²	130.4	74%	0.742	73%	0.734	S	S	*	*			trans	-32.6	111.3	165.8	-83.3	-22.1	0	0	0	115.1	K2579 D2958 N2962 M3439	K2579-D2960 VanDerWaalsContact NZ-N 3.18Å; K2579-D2960 IonicContact NZ-OD1 2.92Å; K2579-D2960 PolarHBondContact NZ-OD1 2.69Å; D2958-D2960 PolarHBondContact O-N 2.8Å; D2960-N2962 PolarHBondContact O-N 3.22Å; D2960-M3439 WeakPolarHBondContact OD1-CE 3.35Å
2961	A	46.7	Very low	42.7	Very low	71.2 Å²	71.2	129.5 Å²	129.5	59%	0.588	73%	0.729	S	S	*	*			trans	38.6	98.1	151.4	0	0	0	0	0	117	D2959 T3438 M3439	D2959-A2961 VanDerWaalsContact C-N 3.28Å; D2959-A2961 HydrophobicContact CB-CB 4.27Å; D2959-A2961 PolarHBondContact O-N 3.1Å; D2959-A2961 VanDerWaalsContact O-N 3.1Å; A2961-T3438 WeakPolarHBondContact CA-OG1 3.17Å; A2961-T3438 PolarHBondContact N-OG1 2.85Å; A2961-M3439 VanDerWaalsContact CA-O 3.22Å; A2961-M3439 WeakPolarHBondContact CA-O 3.11Å; A2961-M3439 VanDerWaalsContact CB-O 3.26Å; A2961-M3439 WeakPolarHBondContact CB-O 3.33Å
2962	N	41.1	Very low	42.1	Very low	140.8 Å²	140.8	128.9 Å²	128.9	75%	0.753	73%	0.725	S	S	*	*				154.6	96.4	127.2	-124.8	2.2	0	0	0	113.1	D2960 G2964 D3437 T3438	D2960-N2962 PolarHBondContact O-N 3.22Å; N2962-G2964 PolarHBondContact O-N 3.26Å; N2962-D3437 CarbonylContact O-C 3.56Å; N2962-D3437 VanDerWaalsContact O-C 3.28Å; N2962-D3437 VanDerWaalsContact O-O 3.05Å; N2962-T3438 VanDerWaalsContact CB-O 3.26Å; N2962-T3438 WeakPolarHBondContact CB-O 3.43Å; N2962-T3438 VanDerWaalsContact N-C 3.34Å; N2962-T3438 PolarHBondContact N-O 2.92Å; N2962-T3438 PolarHBondContact O-N 2.87Å; N2962-T3438 PolarHBondContact OD1-N 3.08Å; N2962-T3438 PolarHBondContact OD1-O 3Å
2963	D	40.7	Very low	41.7	Very low	149.2 Å²	149.2	131.9 Å²	131.9	80%	0.798	73%	0.731	S	S	*	*				-117.7	112.7	129.2	-102.9	-27.5	0	0	0	110.5	L2965 S3436	D2963-L2965 PolarHBondContact O-N 2.93Å; D2963-S3436 CarbonylContact C-O 3.3Å; D2963-S3436 VanDerWaalsContact CA-O 3.26Å; D2963-S3436 WeakPolarHBondContact CA-O 3.49Å; D2963-S3436 PolarHBondContact N-O 2.97Å; D2963-S3436 VanDerWaalsContact O-O 3.04Å
2964	G	37.8	Very low	40.9	Very low	61 Å²	61	130.6 Å²	130.6	63%	0.629	73%	0.729	S	S	*	*			trans	-153.2	106.3	167.7	0	0	0	0	0	113.7	N2962 S3436	N2962-G2964 PolarHBondContact O-N 3.26Å; G2964-S3436 PolarHBondContact N-O 2.76Å
2965	L	37.8	Very low	40.5	Very low	154 Å²	154	128.8 Å²	128.8	81%	0.806	72%	0.724	S	S	*	*				29.1	133.1	119.9	-104.4	139.3	0	0	0	116.8	D2963	D2963-L2965 PolarHBondContact O-N 2.93Å
2966	E	37.3	Very low	39.8	Very low	168.6 Å²	168.6	129.7 Å²	129.7	79%	0.788	72%	0.724	S	S	*	*			trans	83.1	140.3	146	-77.8	-178	171.6	0	0	117.3	M2968	E2966-M2968 PolarHBondContact O-N 2.87Å
2967	S	34.8	Very low	39.2	Very low	103 Å²	103	132.1 Å²	132.1	72%	0.72	73%	0.729	S	S	*	*			trans	96.8	131.9	136.9	-174.8	0	0	0	0	113.9	T2969	S2967-T2969 PolarHBondContact OG-N 2.91Å
2968	M	37.1	Very low	38.3	Very low	160.6 Å²	160.6	131.6 Å²	131.6	79%	0.791	73%	0.726	S	S	*	*			trans	-139.3	132.1	161.8	-81	175.1	-174.4	0	0	111.6	E2966 D2970	E2966-M2968 PolarHBondContact O-N 2.87Å; M2968-D2970 PolarHBondContact O-N 2.85Å
2969	T	39.4	Very low	37.7	Very low	112 Å²	112	131.7 Å²	131.7	69%	0.687	73%	0.727	S	S	*	*				-10.5	125.9	109.3	57	0	0	0	0	117.9	S2967 S2971	S2967-T2969 PolarHBondContact OG-N 2.91Å; T2969-S2971 VanDerWaalsContact CB-OG 3.23Å; T2969-S2971 WeakPolarHBondContact CB-OG 3.44Å; T2969-S2971 PolarHBondContact O-N 3.32Å; T2969-S2971 VanDerWaalsContact OG1-CB 3.28Å; T2969-S2971 WeakPolarHBondContact OG1-CB 3.39Å; T2969-S2971 PolarHBondContact OG1-OG 2.77Å
2970	D	36.4	Very low	36.9	Very low	140.2 Å²	140.2	130.6 Å²	130.6	75%	0.75	72%	0.719	S	S	*	*			trans	-139	131.6	157.2	-96.3	-28.3	0	0	0	112.6	D2572 K2573 M2968 N2972	D2572-D2970 WeakPolarHBondContact CA-OD1 3.41Å; D2572-D2970 VanDerWaalsContact CG-C 3.44Å; D2572-D2970 WeakPolarHBondContact OD1-CA 3.41Å; D2572-D2970 WeakPolarHBondContact OD1-CB 3.24Å; D2572-D2970 VanDerWaalsContact OD2-CA 3.24Å; D2572-D2970 WeakPolarHBondContact OD2-CA 3.49Å; K2573-D2970 PolarHBondContact N-OD2 2.84Å; M2968-D2970 PolarHBondContact O-N 2.85Å; D2970-N2972 PolarHBondContact O-N 3.46Å
2971	S	37	Very low	36.2	Very low	90.6 Å²	90.6	131 Å²	131	63%	0.634	72%	0.72	S	S	*	*			trans	-150.6	114	160.6	-78.8	0	0	0	0	117.1	D2572 T2969	D2572-S2971 VanDerWaalsContact CG-CB 3.43Å; D2572-S2971 PolarHBondContact OD1-N 2.99Å; D2572-S2971 WeakPolarHBondContact OD2-CA 3.33Å; D2572-S2971 WeakPolarHBondContact OD2-CB 3.47Å; D2572-S2971 PolarHBondContact OD2-N 2.83Å; D2572-S2971 PolarHBondContact OD2-OG 2.95Å; T2969-S2971 VanDerWaalsContact CB-OG 3.23Å; T2969-S2971 WeakPolarHBondContact CB-OG 3.44Å; T2969-S2971 PolarHBondContact O-N 3.32Å; T2969-S2971 VanDerWaalsContact OG1-CB 3.28Å; T2969-S2971 WeakPolarHBondContact OG1-CB 3.39Å; T2969-S2971 PolarHBondContact OG1-OG 2.77Å
2972	N	31.7	Very low	35.5	Very low	150.4 Å²	150.4	135.8 Å²	135.8	80%	0.804	73%	0.73	S	S	*	*			trans	41.7	123.2	145.9	-69.5	-54.6	0	0	0	119.3	D2970	D2970-N2972 PolarHBondContact O-N 3.46Å
2973	V	35.1	Very low	34.9	Very low	128.4 Å²	128.4	135.3 Å²	135.3	78%	0.778	73%	0.728	S	S	*	*			trans	-173.9	109.3	139.2	-179.3	0	0	0	0	110.9
2974	L	30.6	Very low	34.3	Very low	150.6 Å²	150.6	135.5 Å²	135.5	79%	0.788	73%	0.728	S	S	*	*				18.8	117.6	123.3	-145.3	73.1	0	0	0	113.1
2975	L	35.6	Very low	33.9	Very low	130 Å²	130	140 Å²	140	68%	0.681	73%	0.733	S	S	*	*				139.5	124.8	113.3	-98.3	166.2	0	0	0	112.4
2976	Q	32.5	Very low	33.6	Very low	148.4 Å²	148.4	140.3 Å²	140.3	69%	0.693	73%	0.73	S	S	*	*			trans	119.1	120.4	139.8	-80.1	-176.1	2.2	0	0	114.3
2977	H	35	Very low	33.1	Very low	150.8 Å²	150.8	139.5 Å²	139.5	70%	0.698	73%	0.73	S	S	*	*				174.3	145.9	53.5	-77.3	-72.3	0	0	0	114.9	D2979	H2977-D2979 HydrophobicContact CB-CB 4.28Å; H2977-D2979 IonicContact CE1-OD2 3.66Å; H2977-D2979 IonicContact CG-OD2 3.63Å; H2977-D2979 IonicContact ND1-OD2 3.32Å; H2977-D2979 PolarHBondContact ND1-OD2 3.19Å; H2977-D2979 PolarHBondContact O-N 3.16Å
2978	Q	29.3	Very low	32.9	Very low	146.4 Å²	146.4	141 Å²	141	68%	0.684	73%	0.73	S	S	*	*				45	88.6	112.3	-161.8	56.3	64.5	0	0	115.8	I2980	Q2978-I2980 HydrophobicContact CG-CD1 3.93Å; Q2978-I2980 HydrophobicContact CG-CG1 4.13Å
2979	D	35.6	Very low	32.5	Very low	125.4 Å²	125.4	139.2 Å²	139.2	67%	0.671	72%	0.723	S	S	*	*			trans	-161.5	121.2	139.8	-85.7	-27.6	0	0	0	111.9	H2977	H2977-D2979 HydrophobicContact CB-CB 4.28Å; H2977-D2979 IonicContact CE1-OD2 3.66Å; H2977-D2979 IonicContact CG-OD2 3.63Å; H2977-D2979 IonicContact ND1-OD2 3.32Å; H2977-D2979 PolarHBondContact ND1-OD2 3.19Å; H2977-D2979 PolarHBondContact O-N 3.16Å
2980	I	34.7	Very low	32	Very low	121.4 Å²	121.4	142.5 Å²	142.5	62%	0.623	73%	0.731	S	S	*	*				99.5	111.1	106.9	-76.6	169.8	0	0	0	113	Q2978	Q2978-I2980 HydrophobicContact CG-CD1 3.93Å; Q2978-I2980 HydrophobicContact CG-CG1 4.13Å
2981	I	34.1	Very low	31.6	Very low	148.2 Å²	148.2	140.6 Å²	140.6	76%	0.76	73%	0.728	S	S	*	*			trans	49.1	112.6	132.9	-61.9	175.1	0	0	0	114.8	N2983	I2981-N2983 PolarHBondContact O-N 3.36Å
2982	E	31.6	Very low	31.2	Very low	171 Å²	171	140.8 Å²	140.8	80%	0.799	73%	0.73	S	S	*	*				-138.7	138.8	98.9	-122.3	171.3	-156.8	0	0	114
2983	N	29.6	Very low	30.9	Very low	131.6 Å²	131.6	140.8 Å²	140.8	70%	0.704	73%	0.73	S	S	*	*			trans	-2.2	112.5	162.7	-97.9	-41.6	0	0	0	116	I2981 Q2985	I2981-N2983 PolarHBondContact O-N 3.36Å; N2983-Q2985 VanDerWaalsContact C-N 3.28Å; N2983-Q2985 PolarHBondContact O-N 3.06Å
2984	L	27	Very low	30.5	Very low	152.4 Å²	152.4	145.7 Å²	145.7	80%	0.798	74%	0.735	S	S	*	*				-137.4	113.2	68	-126.6	97.8	0	0	0	111
2985	Q	30.4	Very low	30.6	Very low	156 Å²	156	145.1 Å²	145.1	73%	0.729	73%	0.731	S	S	*	*			trans	161.7	138.5	153.9	-73.2	-173.2	8.2	0	0	114.4	N2983	N2983-Q2985 VanDerWaalsContact C-N 3.28Å; N2983-Q2985 PolarHBondContact O-N 3.06Å
2986	H	31.1	Very low	30.2	Very low	160.2 Å²	160.2	145.7 Å²	145.7	74%	0.742	74%	0.735	S	S	*	*			trans	108.7	132.9	-163.9	-89.4	-95.9	0	0	0	113.6	N2988	H2986-N2988 HydrophobicContact CB-CB 4.49Å; H2986-N2988 PolarHBondContact O-N 3.01Å
2987	L	27.5	Very low	29.8	Very low	152.8 Å²	152.8	143.2 Å²	143.2	80%	0.8	73%	0.733	S	S	*	*				-13.8	136.2	112.2	-87.1	76.7	0	0	0	112.1
2988	N	30.3	Very low	29.6	Very low	133.8 Å²	133.8	140.8 Å²	140.8	72%	0.716	73%	0.734	S	S	*	*				-135.3	149.3	101.4	-143.2	-7.5	0	0	0	111.3	H2986	H2986-N2988 HydrophobicContact CB-CB 4.49Å; H2986-N2988 PolarHBondContact O-N 3.01Å
2989	N	27.9	Very low	29.5	Very low	121.6 Å²	121.6	144.8 Å²	144.8	65%	0.65	74%	0.743	S	S	*	*			trans	54.4	121.2	149.6	-66	-40	0	0	0	117.8	S2991	N2989-S2991 PolarHBondContact O-N 2.86Å
2990	H	29.2	Very low	29.2	Very low	182.6 Å²	182.6	143.9 Å²	143.9	85%	0.845	75%	0.746	S	S	*	*				64.9	115.3	118.7	-72.9	-72.1	0	0	0	116.5
2991	S	26.7	Very low	28.9	Very low	99 Å²	99	141.4 Å²	141.4	69%	0.692	75%	0.75	S	S	*	*			trans	-131.2	134.2	151	55.4	0	0	0	0	113.2	N2989	N2989-S2991 PolarHBondContact O-N 2.86Å
2992	S	28.6	Very low	28.6	Very low	96.6 Å²	96.6	141.9 Å²	141.9	68%	0.676	75%	0.749	S	S	*	*			trans	68.2	113.7	146.7	-53.6	0	0	0	0	116.3
2993	N	27	Very low	28.6	Very low	150 Å²	150	140.6 Å²	140.6	80%	0.802	75%	0.747	S	S	*	*			trans	101.2	99.9	132.2	-80.1	-17.3	0	0	0	114.5	L2995	N2993-L2995 PolarHBondContact O-N 3.11Å
2994	W	26.5	Very low	28.7	Very low	230.8 Å²	230.8	140 Å²	140	87%	0.874	75%	0.747	S	S	*	*			trans	-129.3	134.2	134.8	-87.4	43.7	0	0	0	110.5
2995	L	31.4	Very low	28.9	Very low	137.6 Å²	137.6	140.3 Å²	140.3	72%	0.72	75%	0.75	S	S	*	*			trans	88	124.8	162.3	-71.8	172.5	0	0	0	115.9	N2993	N2993-L2995 PolarHBondContact O-N 3.11Å
2996	L	27.7	Very low	29	Very low	143.4 Å²	143.4	135.7 Å²	135.7	75%	0.751	75%	0.745	S	S	*	*			trans	39.8	126.5	130	-75.6	117.5	0	0	0	115.3
2997	S	25.2	Very low	28.9	Very low	95.8 Å²	95.8	135.4 Å²	135.4	67%	0.67	75%	0.749	S	S	*	*				101.3	124.7	125.2	-123.7	0	0	0	0	116.8
2998	S	29.6	Very low	29	Very low	101 Å²	101	132.3 Å²	132.3	71%	0.706	74%	0.739	S	S	*	*				107	122.8	114.7	-65	0	0	0	0	116.7	N3027	S2998-N3027 VanDerWaalsContact CA-O 3.28Å; S2998-N3027 WeakPolarHBondContact CA-O 3.19Å; S2998-N3027 PolarHBondContact N-O 2.86Å; S2998-N3027 WeakPolarHBondContact O-CB 3.39Å
2999	R	28.7	Very low	29.1	Very low	229.8 Å²	229.8	132.7 Å²	132.7	87%	0.867	74%	0.742	S	S	*	*			trans	-174.3	121.2	131.5	-139.5	172.9	179.4	-144.3	1.7	111.4	Y3026 N3027	R2999-Y3026 VanDerWaalsContact CA-CG 3.5Å; R2999-Y3026 HydrophobicContact CB-CD1 4.07Å; R2999-Y3026 HydrophobicContact CB-CD2 4.18Å; R2999-Y3026 HydrophobicContact CB-CE1 3.82Å; R2999-Y3026 HydrophobicContact CB-CE2 3.98Å; R2999-Y3026 HydrophobicContact CB-CG 4.21Å; R2999-Y3026 HydrophobicContact CG-CD2 4.17Å; R2999-Y3026 HydrophobicContact CG-CE1 4.34Å; R2999-Y3026 HydrophobicContact CG-CE2 3.7Å; R2999-Y3026 PolarHBondContact NE-OH 3.34Å; R2999-N3027 VanDerWaalsContact C-CB 3.42Å; R2999-N3027 WeakPolarHBondContact O-CB 3.03Å; R2999-N3027 VanDerWaalsContact O-CG 3.29Å; R2999-N3027 PolarHBondContact O-ND2 3Å
3000	S	28.2	Very low	29.4	Very low	106.8 Å²	106.8	133.9 Å²	133.9	75%	0.747	75%	0.748	S	S	*	*				167.1	131.4	114.1	-162.4	0	0	0	0	112	N3025 N3027	S3000-N3025 VanDerWaalsContact CA-O 3.24Å; S3000-N3025 WeakPolarHBondContact CA-O 3Å; S3000-N3025 WeakPolarHBondContact CB-O 3.32Å; S3000-N3025 PolarHBondContact OG-O 3.47Å; S3000-N3027 VanDerWaalsContact N-N 3.1Å
3001	G	29	Very low	29.5	Very low	68.4 Å²	68.4	133.5 Å²	133.5	71%	0.705	75%	0.746	S	S	*	*			trans	-176.9	107.9	162.9	0	0	0	0	0	114.5
3002	H	27.5	Very low	29.6	Very low	157.8 Å²	157.8	139.3 Å²	139.3	73%	0.731	75%	0.753	S	S	*	*				46	111.2	121.3	-155.4	72.4	0	0	0	116.4
3003	L	32	Very low	29.9	Very low	144 Å²	144	140.3 Å²	140.3	75%	0.754	76%	0.755	S	S	*	*				91.1	130.8	123.1	-71.6	174.1	0	0	0	118.9
3004	V	32.2	Very low	30	Very low	118.6 Å²	118.6	137.7 Å²	137.7	72%	0.719	75%	0.748	S	S	*	*			trans	80.8	104.6	134.8	175.4	0	0	0	0	115
3005	N	30.8	Very low	30.1	Very low	159.2 Å²	159.2	135.3 Å²	135.3	85%	0.851	75%	0.746	S	S	*	*				105.6	128.4	119.6	-159.5	11.2	0	0	0	116.3
3006	G	30.8	Very low	30	Very low	60.8 Å²	60.8	133.7 Å²	133.7	63%	0.627	75%	0.746	S	S	*	*			trans	146.3	110.9	163.2	0	0	0	0	0	116.2
3007	N	29.4	Very low	30.1	Very low	154 Å²	154	133.4 Å²	133.4	82%	0.824	75%	0.751	S	S	*	*				82.7	134.5	119.3	-149.6	12.8	0	0	0	116
3008	S	31.2	Very low	30.6	Very low	85.8 Å²	85.8	133.7 Å²	133.7	60%	0.6	75%	0.753	S	S	*	*			trans	161.3	136.8	-171.6	63.5	0	0	0	0	113.8	N3010	S3008-N3010 PolarHBondContact N-OD1 2.89Å
3009	N	32.2	Very low	30.8	Very low	143.8 Å²	143.8	134.2 Å²	134.2	77%	0.769	75%	0.752	S	S	*	*				167.2	115.5	108.4	-70.2	-44	0	0	0	114.9
3010	N	32.4	Very low	31	Very low	146 Å²	146	130 Å²	130	78%	0.781	75%	0.746	S	S	*	*				-80.6	137	128.3	-87.8	-37.6	0	0	0	114.9	S3008	S3008-N3010 PolarHBondContact N-OD1 2.89Å
3011	H	32.4	Very low	31.3	Very low	173.4 Å²	173.4	132.3 Å²	132.3	80%	0.803	75%	0.75	S	S	*	*			trans	-130.2	126.7	158.4	-105.9	52.1	0	0	0	115.5
3012	R	29.6	Very low	31.8	Very low	222.6 Å²	222.6	134.3 Å²	134.3	84%	0.84	75%	0.749	S	S	*	*			trans	66	117.5	131.3	-134	-172.3	-174.5	-144.8	0.5	115.6
3013	V	33.1	Very low	32	Very low	116.2 Å²	116.2	133.8 Å²	133.8	70%	0.704	75%	0.751	S	S	*	*				-173.2	120	118.7	-180	0	0	0	0	112.9	H3015	V3013-H3015 PolarHBondContact O-N 3.04Å
3014	S	29.6	Very low	32.3	Very low	95 Å²	95	132.6 Å²	132.6	66%	0.664	75%	0.75	S	S	*	*			trans	58.8	123.8	142.7	-63.8	0	0	0	0	118.8
3015	H	29.9	Very low	32.1	Very low	181.2 Å²	181.2	133.2 Å²	133.2	84%	0.839	75%	0.749	S	S	*	*			trans	-55.1	138.1	150	-63.1	-72	0	0	0	114.1	V3013	V3013-H3015 PolarHBondContact O-N 3.04Å
3016	S	28.9	Very low	32.1	Very low	103.6 Å²	103.6	134.7 Å²	134.7	72%	0.724	74%	0.744	S	S	*	*			trans	-141.5	149.6	169.8	48.5	0	0	0	0	111.2
3017	V	30.5	Very low	32	Very low	138 Å²	138	137.6 Å²	137.6	84%	0.836	75%	0.746	S	S	*	*			trans	71.1	127	149.9	-172.9	0	0	0	0	113.5
3018	S	35.1	Very low	32	Very low	102.4 Å²	102.4	135.5 Å²	135.5	72%	0.716	74%	0.738	S	S	*	*				-174.3	124.7	114.2	-147.9	0	0	0	0	111.7
3019	T	33.8	Very low	32.1	Very low	111.6 Å²	111.6	139.9 Å²	139.9	69%	0.685	75%	0.749	S	S	*	*				69.8	125.3	108	56.1	0	0	0	0	114.7
3020	D	32	Very low	32.1	Very low	140.4 Å²	140.4	138.2 Å²	138.2	75%	0.751	75%	0.748	S	S	*	*				89	113.1	128.1	-61.8	-33.2	0	0	0	112.7
3021	D	35.8	Very low	32.1	Very low	156.2 Å²	156.2	138.2 Å²	138.2	84%	0.835	75%	0.748	S	S	*	*			trans	-170.9	141.8	144.5	-87.3	-26.8	0	0	0	112.1
3022	V	37.9	Very low	32	Very low	110.4 Å²	110.4	134.7 Å²	134.7	67%	0.669	74%	0.735	S	S	*	*			trans	156.6	120.9	-168.4	158.7	0	0	0	0	111.5	T3024	V3022-T3024 HydrophobicContact CG1-CG2 3.84Å; V3022-T3024 WeakPolarHBondContact CG1-OG1 3.3Å
3023	D	33.1	Very low	32.2	Very low	146.8 Å²	146.8	131 Å²	131	79%	0.785	73%	0.727	S	S	*	*			trans	49.3	124.3	153.4	-66.6	-23.3	0	0	0	118	N3025	D3023-N3025 PolarHBondContact O-N 3.1Å
3024	T	38.2	Very low	32.1	Very low	119.4 Å²	119.4	132.7 Å²	132.7	73%	0.733	73%	0.727	S	S	*	*				-142	119.1	111.1	1.9	0	0	0	0	113.6	V3022 Y3026	V3022-T3024 HydrophobicContact CG1-CG2 3.84Å; V3022-T3024 WeakPolarHBondContact CG1-OG1 3.3Å; T3024-Y3026 HydrophobicContact CG2-CD2 3.97Å; T3024-Y3026 HydrophobicContact CG2-CE2 3.82Å; T3024-Y3026 PolarHBondContact O-N 3.29Å
3025	N	28.2	Very low	32.3	Very low	131 Å²	131	135.4 Å²	135.4	70%	0.701	73%	0.733	S	S	*	*			trans	-79.1	122.8	153.8	-162.4	6.5	0	0	0	113	S3000 D3023 N3027	S3000-N3025 VanDerWaalsContact CA-O 3.24Å; S3000-N3025 WeakPolarHBondContact CA-O 3Å; S3000-N3025 WeakPolarHBondContact CB-O 3.32Å; S3000-N3025 PolarHBondContact OG-O 3.47Å; D3023-N3025 PolarHBondContact O-N 3.1Å; N3025-N3027 PolarHBondContact OD1-N 3.14Å
3026	Y	29.3	Very low	32.4	Very low	190.8 Å²	190.8	132.7 Å²	132.7	75%	0.748	72%	0.721	S	S	*	*			trans	-145.1	137.6	141.6	-92.8	-84.3	0	0	0	111.6	R2999 T3024	R2999-Y3026 VanDerWaalsContact CA-CG 3.5Å; R2999-Y3026 HydrophobicContact CB-CD1 4.07Å; R2999-Y3026 HydrophobicContact CB-CD2 4.18Å; R2999-Y3026 HydrophobicContact CB-CE1 3.82Å; R2999-Y3026 HydrophobicContact CB-CE2 3.98Å; R2999-Y3026 HydrophobicContact CB-CG 4.21Å; R2999-Y3026 HydrophobicContact CG-CD2 4.17Å; R2999-Y3026 HydrophobicContact CG-CE1 4.34Å; R2999-Y3026 HydrophobicContact CG-CE2 3.7Å; R2999-Y3026 PolarHBondContact NE-OH 3.34Å; T3024-Y3026 HydrophobicContact CG2-CD2 3.97Å; T3024-Y3026 HydrophobicContact CG2-CE2 3.82Å; T3024-Y3026 PolarHBondContact O-N 3.29Å
3027	N	30.2	Very low	32.7	Very low	121.8 Å²	121.8	135.8 Å²	135.8	65%	0.651	72%	0.723	S	S	*	*			trans	-61.2	147.5	175.6	-111.5	7.8	0	0	0	114	S2998 R2999 S3000 N3025	S2998-N3027 VanDerWaalsContact CA-O 3.28Å; S2998-N3027 WeakPolarHBondContact CA-O 3.19Å; S2998-N3027 PolarHBondContact N-O 2.86Å; S2998-N3027 WeakPolarHBondContact O-CB 3.39Å; R2999-N3027 VanDerWaalsContact C-CB 3.42Å; R2999-N3027 WeakPolarHBondContact O-CB 3.03Å; R2999-N3027 VanDerWaalsContact O-CG 3.29Å; R2999-N3027 PolarHBondContact O-ND2 3Å; S3000-N3027 VanDerWaalsContact N-N 3.1Å; N3025-N3027 PolarHBondContact OD1-N 3.14Å
3028	V	28.7	Very low	32.8	Very low	109.4 Å²	109.4	136.3 Å²	136.3	66%	0.663	72%	0.716	S	S	*	*			trans	113.5	117	133.4	173.7	0	0	0	0	114.5
3029	E	32.5	Very low	32.8	Very low	177.8 Å²	177.8	139.6 Å²	139.6	83%	0.831	72%	0.723	S	S	*	*			trans	104.1	123.7	154.5	-67.7	177.8	175	0	0	115.7
3030	S	32.1	Very low	32.8	Very low	108.4 Å²	108.4	139.5 Å²	139.5	76%	0.758	72%	0.722	S	S	*	*			trans	-162.8	132.9	139.6	170.9	0	0	0	0	112.8	K2643	K2643-S3030 PolarHBondContact NZ-OG 2.84Å
3031	L	32.9	Very low	32.9	Very low	146.2 Å²	146.2	139.9 Å²	139.9	77%	0.765	72%	0.724	S	S	*	*			trans	-177.9	125.3	155	-170.4	65.9	0	0	0	114.9	I2641 K2643	I2641-L3031 HydrophobicContact CB-CD2 3.83Å; I2641-L3031 HydrophobicContact CB-CG 4.15Å; I2641-L3031 HydrophobicContact CG2-CD2 3.81Å; I2641-L3031 WeakPolarHBondContact O-CD2 3.49Å; I2641-L3031 WeakPolarHBondContact O-CG 3.29Å; K2643-L3031 PolarHBondContact NZ-O 3.09Å
3032	D	30.7	Very low	33.1	Very low	98.8 Å²	98.8	137.5 Å²	137.5	53%	0.528	72%	0.72	S	S	.	*			trans	-131.9	138.1	170.2	-116.2	-20.5	0	0	0	113.7	I2642 K2643	I2642-D3032 PolarHBondContact N-OD1 2.95Å; K2643-D3032 PolarHBondContact N-OD2 3.3Å
3033	H	33.2	Very low	33.2	Very low	145 Å²	145	140 Å²	140	67%	0.671	73%	0.728	S	S	*	*			trans	151.4	99.1	147.2	-82.6	-45	0	0	0	116.3	S2639 G2640 I2641	S2639-H3033 CarbonylContact O-C 3.41Å; G2640-H3033 PolarHBondContact N-CE1 3.08Å; G2640-H3033 PolarHBondContact N-ND1 2.96Å; G2640-H3033 VanDerWaalsContact O-CA 3.27Å; G2640-H3033 WeakPolarHBondContact O-CA 3.4Å; I2641-H3033 PolarHBondContact N-CD2 2.76Å
3034	H	32.2	Very low	33.8	Very low	152 Å²	152	141 Å²	141	70%	0.704	73%	0.733	S	S	*	*			trans	-149.9	115.4	145.9	-113	68.5	0	0	0	115.7	N2637 N2638 S2639 H3036 H3037	N2637-H3034 VanDerWaalsContact C-CB 3.48Å; N2637-H3034 WeakPolarHBondContact O-CB 3.37Å; N2638-H3034 PolarHBondContact O-CD2 2.94Å; S2639-H3034 VanDerWaalsContact C-N 3.29Å; S2639-H3034 PolarHBondContact O-N 3.01Å; H3034-H3036 PolarHBondContact O-N 2.86Å; H3034-H3037 AromaticContact CE1-NE2 3.76Å
3035	L	32.4	Very low	33.8	Very low	153 Å²	153	139.4 Å²	139.4	80%	0.801	73%	0.732	S	S	*	*			trans	-142.5	114.2	152.4	-167	73.3	0	0	0	112.8	N2637	N2637-L3035 CarbonylContact O-C 2.89Å; N2637-L3035 VanDerWaalsContact O-CA 3.29Å; N2637-L3035 WeakPolarHBondContact O-CA 3.45Å; N2637-L3035 PolarHBondContact O-N 3.34Å
3036	H	33.4	Very low	34.2	Very low	124.6 Å²	124.6	141 Å²	141	58%	0.577	74%	0.74	S	S	*	*			trans	-168	109.9	155.4	-125.6	79.4	0	0	0	114.5	N2637 N2638 H3034 Q3038	N2637-H3036 VanDerWaalsContact C-ND1 3.33Å; N2637-H3036 VanDerWaalsContact CA-CG 3.44Å; N2637-H3036 VanDerWaalsContact O-CA 3.23Å; N2637-H3036 WeakPolarHBondContact O-CA 3.35Å; N2637-H3036 VanDerWaalsContact O-CB 3.26Å; N2637-H3036 WeakPolarHBondContact O-CB 3.27Å; N2637-H3036 PolarHBondContact O-N 3.22Å; N2637-H3036 VanDerWaalsContact O-N 3.08Å; N2637-H3036 PolarHBondContact OD1-CE1 3.06Å; N2637-H3036 PolarHBondContact OD1-ND1 3.19Å; N2638-H3036 HydrophobicContact CB-CB 3.91Å; N2638-H3036 VanDerWaalsContact CB-ND1 3.29Å; N2638-H3036 WeakPolarHBondContact CB-ND1 3.47Å; N2638-H3036 PolarHBondContact N-ND1 3.28Å; N2638-H3036 PolarHBondContact ND2-ND1 2.79Å; N2638-H3036 WeakPolarHBondContact OD1-CB 3.33Å; H3034-H3036 PolarHBondContact O-N 2.86Å; H3036-Q3038 WeakPolarHBondContact NE2-CG 3.48Å; H3036-Q3038 PolarHBondContact NE2-NE2 2.71Å; H3036-Q3038 PolarHBondContact NE2-OE1 2.89Å
3037	H	33.4	Very low	35	Very low	167 Å²	167	136.9 Å²	136.9	77%	0.773	74%	0.737	S	S	*	*			trans	-113.3	108.3	152.1	-64.7	-70.6	0	0	0	112.2	V2636 H3034	V2636-H3037 PolarHBondContact N-O 3.4Å; H3034-H3037 AromaticContact CE1-NE2 3.76Å
3038	Q	32.8	Very low	35.6	Very low	149.4 Å²	149.4	138 Å²	138	70%	0.698	74%	0.743	S	S	*	*			trans	-133.9	120.2	155.3	-64.4	-170.9	-13.4	0	0	109.3	V2636 H3036	V2636-Q3038 HydrophobicContact CB-CG 4.08Å; V2636-Q3038 HydrophobicContact CG1-CG 3.75Å; V2636-Q3038 HydrophobicContact CG2-CB 4.24Å; V2636-Q3038 HydrophobicContact CG2-CG 3.63Å; H3036-Q3038 WeakPolarHBondContact NE2-CG 3.48Å; H3036-Q3038 PolarHBondContact NE2-NE2 2.71Å; H3036-Q3038 PolarHBondContact NE2-OE1 2.89Å
3039	M	36.7	Very low	36.2	Very low	171.8 Å²	171.8	140.8 Å²	140.8	85%	0.846	75%	0.753	S	S	*	*			trans	-132.3	112.2	153.7	-90.3	177.5	-69.4	0	0	109.8
3040	T	33.6	Very low	36.8	Very low	109.4 Å²	109.4	139.8 Å²	139.8	67%	0.671	75%	0.754	S	S	*	*			trans	-105.1	137.8	157.5	38.5	0	0	0	0	108.9	S3042	T3040-S3042 PolarHBondContact O-N 2.8Å; T3040-S3042 VanDerWaalsContact O-N 3.1Å
3041	D	34.3	Very low	37.3	Very low	148.8 Å²	148.8	138.6 Å²	138.6	80%	0.796	75%	0.751	S	S	*	*				102.4	106.2	128.1	-73.8	-19.8	0	0	0	114.6	L3043	D3041-L3043 VanDerWaalsContact C-N 3.32Å; D3041-L3043 PolarHBondContact O-N 2.81Å
3042	S	38.8	Very low	37.7	Very low	105.8 Å²	105.8	142.4 Å²	142.4	74%	0.74	76%	0.755	S	S	*	*			trans	154.7	64.3	161.5	-64.1	0	0	0	0	115.8	T3040 L3044	T3040-S3042 PolarHBondContact O-N 2.8Å; T3040-S3042 VanDerWaalsContact O-N 3.1Å; S3042-L3044 PolarHBondContact O-N 2.78Å
3043	L	40.7	Very low	38.4	Very low	163.8 Å²	163.8	144.8 Å²	144.8	86%	0.858	77%	0.767	S	S	*	*			trans	-105.4	71.1	151.3	-71.9	178.6	0	0	0	113	D3041 V3450	D3041-L3043 VanDerWaalsContact C-N 3.32Å; D3041-L3043 PolarHBondContact O-N 2.81Å; L3043-V3450 HydrophobicContact CD1-CG1 3.95Å; L3043-V3450 HydrophobicContact CD1-CG2 3.99Å; L3043-V3450 HydrophobicContact CG-CG1 4.45Å; L3043-V3450 HydrophobicContact CG-CG2 4.19Å
3044	L	44.3	Very low	38.9	Very low	166.2 Å²	166.2	143.4 Å²	143.4	87%	0.87	77%	0.774	S	S	*	*			trans	-153.9	87.9	158.4	-99.8	145	0	0	0	112.8	S3042	S3042-L3044 PolarHBondContact O-N 2.78Å
3045	A	39.3	Very low	39.5	Very low	87.4 Å²	87.4	144.7 Å²	144.7	72%	0.722	78%	0.78	S	S	*	*			trans	-140.2	110.5	166.5	0	0	0	0	0	112.7	P3047	A3045-P3047 VanDerWaalsContact O-CD 3.22Å; A3045-P3047 WeakPolarHBondContact O-CD 3.31Å
3046	N	36	Very low	40.1	Very low	162.6 Å²	162.6	144.5 Å²	144.5	87%	0.87	78%	0.78	S	S	*	*			trans	-54.4	129.4	148.9	-75.3	-18.7	0	0	0	110.6
3047	P	47	Very low	40.4	Very low	104.8 Å²	104.8	141.8 Å²	141.8	68%	0.681	79%	0.785	S	S	*	*			trans	-98.5	139.5	-165.2	17.4	-3.8	0	0	0	112	A3045 L3049	A3045-P3047 VanDerWaalsContact O-CD 3.22Å; A3045-P3047 WeakPolarHBondContact O-CD 3.31Å; P3047-L3049 PolarHBondContact O-N 3.02Å
3048	D	42.8	Very low	41.3	Very low	146.4 Å²	146.4	141.4 Å²	141.4	78%	0.783	78%	0.783	S	S	*	*			trans	34.3	105	157.9	-61	-27	0	0	0	117.9	D3050	D3048-D3050 HydrophobicContact CB-CB 4.18Å; D3048-D3050 PolarHBondContact O-N 3.02Å
3049	L	41.2	Very low	42	Very low	167.6 Å²	167.6	141.2 Å²	141.2	88%	0.877	79%	0.787	S	S	*	*			trans	-96.3	46	166.7	-67	179.2	0	0	0	114.2	P3047 A3051	P3047-L3049 PolarHBondContact O-N 3.02Å; L3049-A3051 PolarHBondContact O-N 2.81Å
3050	D	44.2	Very low	42.1	Very low	156.6 Å²	156.6	140.7 Å²	140.7	84%	0.837	78%	0.781	S	S	*	*			trans	-99.7	77.1	-175.8	-97	-15.2	0	0	0	111.2	D3048 R3052	D3048-D3050 HydrophobicContact CB-CB 4.18Å; D3048-D3050 PolarHBondContact O-N 3.02Å; D3050-R3052 PolarHBondContact O-N 3.01Å
3051	A	42.6	Very low	42.3	Very low	84.2 Å²	84.2	142 Å²	142	70%	0.696	78%	0.783	S	S	*	*			trans	-62.3	55.6	177.4	0	0	0	0	0	116.1	L3049	L3049-A3051 PolarHBondContact O-N 2.81Å
3052	R	41.7	Very low	42.4	Very low	224.8 Å²	224.8	144.4 Å²	144.4	85%	0.848	78%	0.783	S	S	*	*			trans	-152.8	70.8	150.3	-73.8	-169.8	126.5	170.9	-1.3	115.2	D3050 S3054	D3050-R3052 PolarHBondContact O-N 3.01Å; R3052-S3054 VanDerWaalsContact C-N 3.31Å; R3052-S3054 PolarHBondContact O-N 3.42Å
3053	D	45.3	Very low	42.4	Very low	148.6 Å²	148.6	145.1 Å²	145.1	80%	0.795	78%	0.783	S	S	*	*			trans	-144.3	79.7	140.8	-70.9	-16.6	0	0	0	112.4
3054	S	44.7	Very low	42.1	Very low	115.8 Å²	115.8	142.9 Å²	142.9	81%	0.81	78%	0.776	S	S	*	*			trans	-134.3	64.9	170.8	-68.3	0	0	0	0	111.2	R3052 L3056	R3052-S3054 VanDerWaalsContact C-N 3.31Å; R3052-S3054 PolarHBondContact O-N 3.42Å; S3054-L3056 PolarHBondContact O-N 2.79Å
3055	E	44.2	Very low	41.7	Very low	179.4 Å²	179.4	140.8 Å²	140.8	84%	0.838	77%	0.772	S	S	*	*			trans	-72	104	152.2	-163	-176.2	173.1	0	0	110.7	G3057	E3055-G3057 PolarHBondContact O-N 2.86Å
3056	L	44.2	Very low	41.7	Very low	150.4 Å²	150.4	144.8 Å²	144.8	79%	0.787	78%	0.776	S	S	*	*			trans	-71	94	170.7	-56.9	177.5	0	0	0	111.4	S3054 E3058	S3054-L3056 PolarHBondContact O-N 2.79Å; L3056-E3058 HydrophobicContact CB-CG 4.46Å; L3056-E3058 PolarHBondContact O-N 3.03Å
3057	G	41.6	Very low	41.7	Very low	66.2 Å²	66.2	145.1 Å²	145.1	68%	0.682	77%	0.772	S	S	*	*			trans	-39.5	100.4	146.3	0	0	0	0	0	109.6	E3055 D3059	E3055-G3057 PolarHBondContact O-N 2.86Å; G3057-D3059 VanDerWaalsContact C-N 3.33Å; G3057-D3059 PolarHBondContact O-N 2.86Å
3058	E	51.7	Low	41	Very low	159.4 Å²	159.4	147.6 Å²	147.6	75%	0.745	78%	0.778	S	S	*	*			trans	-45.5	97.7	157.4	-64.9	-165.6	-174.3	0	0	111.8	L3056 F3060	L3056-E3058 HydrophobicContact CB-CG 4.46Å; L3056-E3058 PolarHBondContact O-N 3.03Å; E3058-F3060 VanDerWaalsContact C-N 3.27Å; E3058-F3060 HydrophobicContact CB-CD2 3.97Å; E3058-F3060 HydrophobicContact CB-CE2 4.22Å; E3058-F3060 PolarHBondContact O-N 3.12Å; E3058-F3060 WeakPolarHBondContact OE2-CE2 3.33Å
3059	D	46.2	Very low	40.5	Very low	145.2 Å²	145.2	149.4 Å²	149.4	78%	0.776	78%	0.782	S	S	*	*			trans	-27.5	110.9	146.6	-69.1	-33.1	0	0	0	114.8	G3057 D3061	G3057-D3059 VanDerWaalsContact C-N 3.33Å; G3057-D3059 PolarHBondContact O-N 2.86Å; D3059-D3061 VanDerWaalsContact C-N 3.3Å; D3059-D3061 PolarHBondContact O-N 2.97Å
3060	F	39.3	Very low	40.1	Very low	161.4 Å²	161.4	146.3 Å²	146.3	71%	0.708	77%	0.774	S	S	*	*			trans	-115.7	99.3	158.4	-92.1	-98.3	0	0	0	113.5	E3058 Y3062	E3058-F3060 VanDerWaalsContact C-N 3.27Å; E3058-F3060 HydrophobicContact CB-CD2 3.97Å; E3058-F3060 HydrophobicContact CB-CE2 4.22Å; E3058-F3060 PolarHBondContact O-N 3.12Å; E3058-F3060 WeakPolarHBondContact OE2-CE2 3.33Å; F3060-Y3062 HydrophobicContact CB-CD2 4.33Å; F3060-Y3062 HydrophobicContact CB-CE2 4.09Å; F3060-Y3062 AromaticContact CD1-CD2 3.5Å; F3060-Y3062 HydrophobicContact CD1-CD2 3.83Å; F3060-Y3062 VanDerWaalsContact CD1-CD2 3.5Å; F3060-Y3062 AromaticContact CD1-CE2 3.57Å; F3060-Y3062 HydrophobicContact CD1-CE2 3.78Å; F3060-Y3062 VanDerWaalsContact CD1-CE2 3.44Å; F3060-Y3062 HydrophobicContact CE1-CD2 4.23Å; F3060-Y3062 AromaticContact CE1-CE2 3.73Å; F3060-Y3062 HydrophobicContact CE1-CE2 3.73Å; F3060-Y3062 HydrophobicContact CG-CD2 4.36Å; F3060-Y3062 HydrophobicContact CG-CE2 4.48Å; F3060-Y3062 WeakPolarHBondContact O-CD2 3.38Å; F3060-Y3062 PolarHBondContact O-N 3.19Å
3061	D	38.7	Very low	39.5	Very low	136.4 Å²	136.4	146.5 Å²	146.5	73%	0.729	77%	0.772	S	S	*	*			trans	-86.1	111.8	142.8	-97.4	-21.2	0	0	0	113.1	D3059 T3063	D3059-D3061 VanDerWaalsContact C-N 3.3Å; D3059-D3061 PolarHBondContact O-N 2.97Å; D3061-T3063 PolarHBondContact O-N 3.1Å
3062	Y	36.3	Very low	39	Very low	200.4 Å²	200.4	150.7 Å²	150.7	79%	0.786	78%	0.777	S	S	*	*			trans	-95.2	104.5	162.3	-68.8	-82.3	0	0	0	111.6	F3060 T3064	F3060-Y3062 HydrophobicContact CB-CD2 4.33Å; F3060-Y3062 HydrophobicContact CB-CE2 4.09Å; F3060-Y3062 AromaticContact CD1-CD2 3.5Å; F3060-Y3062 HydrophobicContact CD1-CD2 3.83Å; F3060-Y3062 VanDerWaalsContact CD1-CD2 3.5Å; F3060-Y3062 AromaticContact CD1-CE2 3.57Å; F3060-Y3062 HydrophobicContact CD1-CE2 3.78Å; F3060-Y3062 VanDerWaalsContact CD1-CE2 3.44Å; F3060-Y3062 HydrophobicContact CE1-CD2 4.23Å; F3060-Y3062 AromaticContact CE1-CE2 3.73Å; F3060-Y3062 HydrophobicContact CE1-CE2 3.73Å; F3060-Y3062 HydrophobicContact CG-CD2 4.36Å; F3060-Y3062 HydrophobicContact CG-CE2 4.48Å; F3060-Y3062 WeakPolarHBondContact O-CD2 3.38Å; F3060-Y3062 PolarHBondContact O-N 3.19Å; Y3062-T3064 HydrophobicContact CD1-CG2 3.31Å; Y3062-T3064 HydrophobicContact CE1-CG2 3.55Å; Y3062-T3064 HydrophobicContact CG-CG2 4.36Å
3063	T	37.6	Very low	38.5	Very low	120 Å²	120	144.9 Å²	144.9	74%	0.736	77%	0.769	S	S	*	*				-119.6	107.5	129.1	60.9	0	0	0	0	112.3	D3061	D3061-T3063 PolarHBondContact O-N 3.1Å
3064	T	35.9	Very low	37.8	Very low	117.8 Å²	117.8	145.8 Å²	145.8	72%	0.723	77%	0.769	S	S	*	*				90.8	124.1	108.7	40.1	0	0	0	0	114.6	Y3062 E3066	Y3062-T3064 HydrophobicContact CD1-CG2 3.31Å; Y3062-T3064 HydrophobicContact CE1-CG2 3.55Å; Y3062-T3064 HydrophobicContact CG-CG2 4.36Å; T3064-E3066 PolarHBondContact O-N 3.11Å
3065	P	35.8	Very low	37.2	Very low	120.4 Å²	120.4	145.5 Å²	145.5	78%	0.782	76%	0.764	S	S	*	*			trans	-91.6	124.1	157.9	29.1	-21.6	0	0	0	112.4	Q3067	P3065-Q3067 HydrophobicContact CB-CG 4.5Å; P3065-Q3067 PolarHBondContact O-N 3.46Å
3066	E	38.7	Very low	36.6	Very low	172 Å²	172	142.4 Å²	142.4	80%	0.804	76%	0.757	S	S	*	*			trans	-129.6	116.1	159.8	-83.8	-174.9	-177.3	0	0	112.7	T3064	T3064-E3066 PolarHBondContact O-N 3.11Å
3067	Q	36.9	Very low	35.9	Very low	168.6 Å²	168.6	141.8 Å²	141.8	79%	0.788	76%	0.755	S	S	*	*			trans	-154.5	116.9	137	-87.5	156.1	29.4	0	0	111.3	P3065 E3069	P3065-Q3067 HydrophobicContact CB-CG 4.5Å; P3065-Q3067 PolarHBondContact O-N 3.46Å; Q3067-E3069 PolarHBondContact O-N 3.05Å
3068	I	31.5	Very low	35.4	Very low	158.6 Å²	158.6	145.5 Å²	145.5	81%	0.813	76%	0.759	S	S	*	*				30.5	106.3	121.2	-57.2	167.1	0	0	0	111.4
3069	E	32	Very low	34.2	Very low	183.6 Å²	183.6	142.3 Å²	142.3	86%	0.858	75%	0.754	S	S	*	*			trans	-140.3	119.2	156.8	-127.1	175.4	-158.8	0	0	111.7	Q3067 M3071	Q3067-E3069 PolarHBondContact O-N 3.05Å; E3069-M3071 PolarHBondContact O-N 3.41Å; E3069-M3071 VanDerWaalsContact O-N 3.12Å
3070	S	32.3	Very low	33.6	Very low	102.4 Å²	102.4	143 Å²	143	72%	0.716	76%	0.758	S	S	*	*			trans	-93.2	132.9	158.2	-163.3	0	0	0	0	111	H3072	S3070-H3072 PolarHBondContact O-N 3.14Å; S3070-H3072 VanDerWaalsContact O-N 3.1Å
3071	M	33.2	Very low	33.1	Very low	161.2 Å²	161.2	138.8 Å²	138.8	79%	0.794	76%	0.76	S	S	*	*			trans	-112.4	117.9	160.5	-82	-138.4	-62.1	0	0	110.9	E3069	E3069-M3071 PolarHBondContact O-N 3.41Å; E3069-M3071 VanDerWaalsContact O-N 3.12Å
3072	H	32.1	Very low	32.8	Very low	172.2 Å²	172.2	141 Å²	141	80%	0.797	77%	0.766	S	S	*	*			trans	-53.5	120.3	155.2	-127.4	72.1	0	0	0	113.2	S3070 H3074	S3070-H3072 PolarHBondContact O-N 3.14Å; S3070-H3072 VanDerWaalsContact O-N 3.1Å; H3072-H3074 PolarHBondContact O-N 3.31Å
3073	C	29.7	Very low	32.5	Very low	102 Å²	102	138.4 Å²	138.4	69%	0.689	77%	0.766	S	S	*	*			trans	-129.2	126.9	160	-97.7	0	0	0	0	111.5
3074	H	31.3	Very low	32.1	Very low	168.6 Å²	168.6	139.8 Å²	139.8	78%	0.781	77%	0.768	S	S	*	*			trans	-8.6	134	141.7	-71.3	-65.6	0	0	0	114.7	H3072	H3072-H3074 PolarHBondContact O-N 3.31Å
3075	P	32.5	Very low	31.9	Very low	110 Å²	110	140.8 Å²	140.8	71%	0.714	77%	0.769	S	S	*	*				-117.2	140.8	111.7	33.2	-22.7	0	0	0	114.2	N3077	P3075-N3077 PolarHBondContact O-N 3.24Å
3076	T	30.9	Very low	31.8	Very low	113.2 Å²	113.2	142.6 Å²	142.6	69%	0.694	77%	0.767	S	S	*	*			trans	38.3	129.6	147.2	57.5	0	0	0	0	116.8
3077	N	30.6	Very low	31.4	Very low	138.6 Å²	138.6	140.9 Å²	140.9	74%	0.741	76%	0.763	S	S	*	*				-167.1	138.2	105.9	-90.1	-34.5	0	0	0	114	P3075	P3075-N3077 PolarHBondContact O-N 3.24Å
3078	N	29.3	Very low	31.1	Very low	142.6 Å²	142.6	138.9 Å²	138.9	76%	0.763	76%	0.758	S	S	*	*				44.5	136.9	120.8	-74.9	-22.6	0	0	0	115.7
3079	S	28.2	Very low	31	Very low	92.4 Å²	92.4	135.9 Å²	135.9	65%	0.646	75%	0.751	S	S	*	*				-172.7	154.2	66.2	52.7	0	0	0	0	112.2
3080	N	32.3	Very low	30.8	Very low	161.2 Å²	161.2	131.1 Å²	131.1	86%	0.862	74%	0.738	S	S	*	*			trans	87.4	123.1	159.6	-56.3	-20.3	0	0	0	113.6
3081	G	28.7	Very low	30.7	Very low	72.8 Å²	72.8	131.1 Å²	131.1	75%	0.751	74%	0.738	S	S	*	*				145.7	93.9	58.5	0	0	0	0	0	112
3082	E	33.3	Very low	30.6	Very low	183 Å²	183	131.5 Å²	131.5	86%	0.855	74%	0.735	S	S	*	*			trans	40.7	121.1	162.6	-65.7	-171.5	166	0	0	117.2
3083	N	30.4	Very low	30.5	Very low	146 Å²	146	127.5 Å²	127.5	78%	0.781	73%	0.727	S	S	*	*				147.7	130.4	109	-105	-51.4	0	0	0	115	N3085	N3083-N3085 PolarHBondContact O-N 2.78Å
3084	L	28.9	Very low	30.5	Very low	148.8 Å²	148.8	128.6 Å²	128.6	78%	0.779	73%	0.725	S	S	*	*			trans	-10.2	120.5	154.9	-81	149.2	0	0	0	115.3	Q3086	L3084-Q3086 HydrophobicContact CD2-CG 4.37Å
3085	N	31.3	Very low	30.6	Very low	138.4 Å²	138.4	129.5 Å²	129.5	74%	0.74	72%	0.722	S	S	*	*				127.7	107.8	129	-147.4	4.1	0	0	0	115.3	N3083	N3083-N3085 PolarHBondContact O-N 2.78Å
3086	Q	33	Very low	30.5	Very low	158.2 Å²	158.2	133 Å²	133	74%	0.739	73%	0.729	S	S	*	*			trans	-159.8	110.6	137.5	-80.9	-173.3	21.4	0	0	116.1	L3084 N3088 K3092	L3084-Q3086 HydrophobicContact CD2-CG 4.37Å; Q3086-N3088 HydrophobicContact CG-CB 4.5Å; Q3086-N3088 PolarHBondContact O-N 3.14Å; Q3086-K3092 PolarHBondContact O-NZ 2.73Å
3087	N	31.8	Very low	30.6	Very low	135.8 Å²	135.8	134.1 Å²	134.1	73%	0.726	73%	0.728	S	S	*	*			trans	-141.3	117.7	151.7	-72.7	-23	0	0	0	113.7	Y2758 S3089 K3092	Y2758-N3087 PolarHBondContact O-OD1 2.93Å; N3087-S3089 PolarHBondContact O-N 2.95Å; N3087-K3092 PolarHBondContact O-NZ 3.17Å
3088	N	29.2	Very low	30.6	Very low	128.2 Å²	128.2	132.7 Å²	132.7	69%	0.686	72%	0.72	S	S	*	*			trans	16	114.3	161.9	-81.8	-18	0	0	0	115.1	Y2758 Q3086 S3090	Y2758-N3088 VanDerWaalsContact CB-O 3.27Å; Y2758-N3088 WeakPolarHBondContact CB-O 3.01Å; Y2758-N3088 HydrophobicContact CD2-CB 4.01Å; Y2758-N3088 VanDerWaalsContact CD2-O 3.26Å; Y2758-N3088 WeakPolarHBondContact CD2-O 3.32Å; Y2758-N3088 PolarHBondContact N-O 3.4Å; Y2758-N3088 VanDerWaalsContact N-O 3.09Å; Q3086-N3088 HydrophobicContact CG-CB 4.5Å; Q3086-N3088 PolarHBondContact O-N 3.14Å; N3088-S3090 PolarHBondContact O-N 3.12Å; N3088-S3090 PolarHBondContact O-OG 3.08Å
3089	S	29.5	Very low	30.8	Very low	95.4 Å²	95.4	131.4 Å²	131.4	67%	0.667	71%	0.711	S	S	*	*				62.8	99.5	124.2	-51	0	0	0	0	117	G2757 Y2758 N3087	G2757-S3089 CarbonylContact C-O 3Å; G2757-S3089 WeakPolarHBondContact CA-O 3.06Å; G2757-S3089 VanDerWaalsContact N-C 3.29Å; G2757-S3089 VanDerWaalsContact N-CB 3.27Å; Y2758-S3089 PolarHBondContact N-O 3.43Å; Y2758-S3089 VanDerWaalsContact N-O 3.16Å; N3087-S3089 PolarHBondContact O-N 2.95Å
3090	S	28.3	Very low	31.1	Very low	82 Å²	82	131.7 Å²	131.7	57%	0.573	71%	0.705	S	S	*	*				143.2	113.9	120.6	58.7	0	0	0	0	115	S2755 P2756 G2757 T2859 M2860 N3088	S2755-S3090 CarbonylContact O-C 3.39Å; S2755-S3090 WeakPolarHBondContact O-CA 3.24Å; S2755-S3090 WeakPolarHBondContact O-CB 3.15Å; S2755-S3090 VanDerWaalsContact O-O 3.05Å; S2755-S3090 PolarHBondContact O-OG 3.04Å; P2756-S3090 WeakPolarHBondContact CD-OG 3.48Å; P2756-S3090 VanDerWaalsContact N-OG 3.16Å; G2757-S3090 VanDerWaalsContact N-N 3.1Å; T2859-S3090 PolarHBondContact O-OG 2.8Å; T2859-S3090 PolarHBondContact OG1-O 3.37Å; M2860-S3090 WeakPolarHBondContact O-CB 3.25Å; N3088-S3090 PolarHBondContact O-N 3.12Å; N3088-S3090 PolarHBondContact O-OG 3.08Å
3091	S	29.7	Very low	30.9	Very low	102 Å²	102	131.4 Å²	131.4	71%	0.713	69%	0.693	S	S	*	*			trans	166.5	162.7	145.5	-66	0	0	0	0	115.1	S2755 G2757 R2857	S2755-S3091 VanDerWaalsContact C-OG 3.24Å; S2755-S3091 VanDerWaalsContact O-CA 3.25Å; S2755-S3091 WeakPolarHBondContact O-CA 3.37Å; S2755-S3091 WeakPolarHBondContact O-CB 3.16Å; S2755-S3091 PolarHBondContact O-N 2.95Å; S2755-S3091 PolarHBondContact O-OG 3.46Å; G2757-S3091 WeakPolarHBondContact CA-OG 3.15Å; G2757-S3091 PolarHBondContact N-OG 3.35Å; R2857-S3091 PolarHBondContact NE-OG 3.26Å; R2857-S3091 PolarHBondContact NH2-OG 2.88Å
3092	K	31.2	Very low	30.9	Very low	170.2 Å²	170.2	133.8 Å²	133.8	74%	0.74	69%	0.688	S	S	*	*			trans	-66.5	118.5	154	-83.3	176.1	175.8	177.8	0	112.1	S2855 N2856 R2857 Q3086 N3087	S2855-K3092 PolarHBondContact OG-NZ 2.97Å; N2856-K3092 WeakPolarHBondContact O-CE 3.14Å; R2857-K3092 HydrophobicContact CG-CD 3.95Å; R2857-K3092 HydrophobicContact CG-CG 3.81Å; Q3086-K3092 PolarHBondContact O-NZ 2.73Å; N3087-K3092 PolarHBondContact O-NZ 3.17Å
3093	S	30	Very low	30.7	Very low	88.6 Å²	88.6	131.4 Å²	131.4	62%	0.62	68%	0.68	S	S	*	*			trans	58.8	115.1	131.2	-166.2	0	0	0	0	115.8	R2752 P2753 S2754 R3095	R2752-S3093 PolarHBondContact O-OG 3.2Å; P2753-S3093 WeakPolarHBondContact CA-OG 3.37Å; S2754-S3093 PolarHBondContact N-OG 2.89Å; S2754-S3093 WeakPolarHBondContact OG-CB 3.25Å; S2754-S3093 PolarHBondContact OG-OG 2.83Å; S3093-R3095 PolarHBondContact OG-N 2.94Å
3094	N	29.7	Very low	30.9	Very low	124.2 Å²	124.2	129 Å²	129	66%	0.664	67%	0.672	S	S	*	*			trans	-51	116	135.1	-134.1	13.6	0	0	0	111.8	Q2751 Q3096	Q2751-N3094 PolarHBondContact O-ND2 2.96Å; N3094-Q3096 PolarHBondContact O-N 3.4Å
3095	R	33.2	Very low	30.9	Very low	187 Å²	187	126.4 Å²	126.4	71%	0.706	67%	0.667	S	S	*	*			trans	-179.2	119.1	133.9	-85.7	172.1	-137	-160.9	0.8	111.5	D2749 Y2750 Q2751 S3093 M3097	D2749-R3095 WeakPolarHBondContact O-CB 3.46Å; D2749-R3095 WeakPolarHBondContact O-CD 3.35Å; D2749-R3095 IonicContact OD2-CZ 3.95Å; D2749-R3095 IonicContact OD2-NH1 3.48Å; D2749-R3095 PolarHBondContact OD2-NH1 3.48Å; Y2750-R3095 PolarHBondContact O-NH1 3.05Å; Q2751-R3095 HydrophobicContact CB-CB 3.69Å; Q2751-R3095 HydrophobicContact CB-CG 3.59Å; Q2751-R3095 HydrophobicContact CG-CB 4.44Å; Q2751-R3095 HydrophobicContact CG-CG 3.85Å; Q2751-R3095 VanDerWaalsContact N-CD 3.26Å; S3093-R3095 PolarHBondContact OG-N 2.94Å; R3095-M3097 HydrophobicContact CB-CB 3.81Å; R3095-M3097 HydrophobicContact CB-CG 4.32Å; R3095-M3097 HydrophobicContact CB-SD 4.43Å; R3095-M3097 HydrophobicContact CG-CB 4.06Å; R3095-M3097 HydrophobicContact CG-CG 4.34Å; R3095-M3097 HydrophobicContact CG-SD 3.81Å; R3095-M3097 PolarHBondContact O-N 3.13Å
3096	Q	31.3	Very low	30.8	Very low	184.6 Å²	184.6	126.7 Å²	126.7	86%	0.863	67%	0.668	S	S	*	*			trans	-85.8	115.9	135.3	-108.7	169.8	-31.5	0	0	111.4	N3094 N3098	N3094-Q3096 PolarHBondContact O-N 3.4Å; Q3096-N3098 PolarHBondContact O-N 3.46Å
3097	M	32.5	Very low	30.8	Very low	136.4 Å²	136.4	125.4 Å²	125.4	67%	0.672	67%	0.666	S	S	*	*			trans	-96.8	125.3	158.5	-77.2	-90	-88	0	0	109.3	D2746 P2748 D2749 R3095 M3099 K3117	D2746-M3097 VanDerWaalsContact OD2-CE 3.25Å; D2746-M3097 WeakPolarHBondContact OD2-CE 3.36Å; P2748-M3097 VanDerWaalsContact CA-CB 3.45Å; P2748-M3097 HydrophobicContact CB-CB 3.35Å; P2748-M3097 HydrophobicContact CB-CG 3.76Å; P2748-M3097 CarbonylContact O-C 2.99Å; D2749-M3097 CarbonylContact C-O 3.48Å; D2749-M3097 CarbonylContact O-C 2.79Å; D2749-M3097 WeakPolarHBondContact O-CA 3.45Å; D2749-M3097 WeakPolarHBondContact O-CB 3.02Å; R3095-M3097 HydrophobicContact CB-CB 3.81Å; R3095-M3097 HydrophobicContact CB-CG 4.32Å; R3095-M3097 HydrophobicContact CB-SD 4.43Å; R3095-M3097 HydrophobicContact CG-CB 4.06Å; R3095-M3097 HydrophobicContact CG-CG 4.34Å; R3095-M3097 HydrophobicContact CG-SD 3.81Å; R3095-M3097 PolarHBondContact O-N 3.13Å; M3097-M3099 PolarHBondContact O-N 2.99Å; M3097-K3117 WeakPolarHBondContact O-CD 3.16Å; M3097-K3117 WeakPolarHBondContact O-CE 3.33Å; M3097-K3117 WeakPolarHBondContact O-CG 3.43Å
3098	N	31.3	Very low	30.7	Very low	109 Å²	109	125 Å²	125	58%	0.583	66%	0.664	S	S	*	*			trans	-134.5	111	159.1	-169.6	19.2	0	0	0	112.3	P2748 Y2750 Q3096 N3100 K3117 H3118	P2748-N3098 CarbonylContact O-C 3.18Å; P2748-N3098 WeakPolarHBondContact O-CA 3.29Å; P2748-N3098 PolarHBondContact O-N 3.16Å; Y2750-N3098 HydrophobicContact CE1-CB 4.43Å; Y2750-N3098 HydrophobicContact CE2-CB 4.44Å; Y2750-N3098 VanDerWaalsContact OH-CG 3.26Å; Y2750-N3098 PolarHBondContact OH-OD1 3.35Å; Q3096-N3098 PolarHBondContact O-N 3.46Å; N3098-N3100 PolarHBondContact O-N 3.21Å; N3098-N3100 PolarHBondContact OD1-N 2.84Å; N3098-N3100 PolarHBondContact OD1-ND2 2.81Å; N3098-K3117 WeakPolarHBondContact O-CA 3.45Å; N3098-H3118 HydrophobicContact CB-CB 4.22Å; N3098-H3118 WeakPolarHBondContact ND2-CB 3.28Å; N3098-H3118 PolarHBondContact ND2-ND1 3.35Å; N3098-H3118 PolarHBondContact O-N 3.48Å
3099	M	33.5	Very low	30.7	Very low	115.4 Å²	115.4	126.1 Å²	126.1	57%	0.568	67%	0.669	S	S	*	*			trans	-97.9	106.1	166.3	-73.8	-67.4	-124.5	0	0	111.3	F2747 P2748 M3097 Y3101 M3116 K3117	F2747-M3099 HydrophobicContact CB-CE 3.9Å; F2747-M3099 HydrophobicContact CB-SD 4.27Å; F2747-M3099 HydrophobicContact CD1-CE 4.29Å; F2747-M3099 HydrophobicContact CD1-SD 3.68Å; F2747-M3099 HydrophobicContact CD2-CE 4.03Å; F2747-M3099 HydrophobicContact CE2-CE 4.03Å; F2747-M3099 HydrophobicContact CG-CE 4.49Å; F2747-M3099 HydrophobicContact CG-SD 4.41Å; P2748-M3099 PolarHBondContact O-N 3.24Å; M3097-M3099 PolarHBondContact O-N 2.99Å; M3099-Y3101 HydrophobicContact CB-CD2 4.41Å; M3099-Y3101 HydrophobicContact CB-CE2 4.45Å; M3099-Y3101 HydrophobicContact CE-CE2 4.03Å; M3099-Y3101 HydrophobicContact CG-CE2 4.26Å; M3099-Y3101 HydrophobicContact SD-CD2 3.89Å; M3099-Y3101 HydrophobicContact SD-CE2 3.48Å; M3099-Y3101 WeakPolarHBondContact SD-CE2 3.29Å; M3099-M3116 WeakPolarHBondContact O-CA 3.43Å; M3099-K3117 VanDerWaalsContact O-CA 3.3Å; M3099-K3117 WeakPolarHBondContact O-CA 3.49Å; M3099-K3117 PolarHBondContact O-N 3.33Å
3100	N	33.2	Very low	30.7	Very low	97.6 Å²	97.6	127.3 Å²	127.3	52%	0.522	67%	0.668	S	S	.	*			trans	78.9	122.6	145.3	-70.1	-31.9	0	0	0	114.1	D2746 N3098 L3102 M3116	D2746-N3100 WeakPolarHBondContact CB-ND2 3.33Å; D2746-N3100 PolarHBondContact O-ND2 2.88Å; D2746-N3100 VanDerWaalsContact O-ND2 3.13Å; N3098-N3100 PolarHBondContact O-N 3.21Å; N3098-N3100 PolarHBondContact OD1-N 2.84Å; N3098-N3100 PolarHBondContact OD1-ND2 2.81Å; N3100-L3102 PolarHBondContact O-N 3.07Å; N3100-M3116 VanDerWaalsContact O-CA 3.23Å; N3100-M3116 WeakPolarHBondContact O-CA 3.37Å; N3100-M3116 PolarHBondContact O-N 3.34Å; N3100-M3116 VanDerWaalsContact O-N 3.11Å; N3100-M3116 WeakPolarHBondContact OD1-CE 3.4Å
3101	Y	28.1	Very low	30.8	Very low	156.6 Å²	156.6	129.2 Å²	129.2	61%	0.614	68%	0.676	S	S	*	*				-7.6	128.1	118.8	-76.4	-73	0	0	0	115.2	M3099 Q3113 N3114 F3115	M3099-Y3101 HydrophobicContact CB-CD2 4.41Å; M3099-Y3101 HydrophobicContact CB-CE2 4.45Å; M3099-Y3101 HydrophobicContact CE-CE2 4.03Å; M3099-Y3101 HydrophobicContact CG-CE2 4.26Å; M3099-Y3101 HydrophobicContact SD-CD2 3.89Å; M3099-Y3101 HydrophobicContact SD-CE2 3.48Å; M3099-Y3101 WeakPolarHBondContact SD-CE2 3.29Å; Y3101-Q3113 HydrophobicContact CE1-CB 4.06Å; Y3101-Q3113 HydrophobicContact CE1-CG 3.89Å; Y3101-Q3113 VanDerWaalsContact OH-C 3.28Å; Y3101-Q3113 VanDerWaalsContact OH-CB 3.28Å; Y3101-Q3113 WeakPolarHBondContact OH-CB 3.5Å; Y3101-Q3113 PolarHBondContact OH-OE1 2.81Å; Y3101-Q3113 VanDerWaalsContact OH-OE1 3.09Å; Y3101-N3114 WeakPolarHBondContact OH-CA 3.14Å; Y3101-N3114 PolarHBondContact OH-OD1 3.19Å; Y3101-F3115 AromaticContact CD2-CD1 3.37Å; Y3101-F3115 HydrophobicContact CD2-CD1 3.37Å; Y3101-F3115 HydrophobicContact CD2-CD2 4.15Å; Y3101-F3115 AromaticContact CD2-CE1 3.27Å; Y3101-F3115 HydrophobicContact CD2-CE1 3.27Å; Y3101-F3115 HydrophobicContact CD2-CE2 4.05Å; Y3101-F3115 AromaticContact CD2-CG 3.83Å; Y3101-F3115 HydrophobicContact CD2-CG 3.83Å; Y3101-F3115 AromaticContact CD2-CZ 3.63Å; Y3101-F3115 HydrophobicContact CD2-CZ 3.63Å; Y3101-F3115 AromaticContact CE2-CD1 3.7Å; Y3101-F3115 HydrophobicContact CE2-CD1 3.7Å; Y3101-F3115 AromaticContact CE2-CD2 3.57Å; Y3101-F3115 HydrophobicContact CE2-CD2 3.57Å; Y3101-F3115 AromaticContact CE2-CE1 3.65Å; Y3101-F3115 HydrophobicContact CE2-CE1 3.65Å; Y3101-F3115 AromaticContact CE2-CE2 3.5Å; Y3101-F3115 HydrophobicContact CE2-CE2 3.5Å; Y3101-F3115 VanDerWaalsContact CE2-CE2 3.5Å; Y3101-F3115 AromaticContact CE2-CG 3.66Å; Y3101-F3115 HydrophobicContact CE2-CG 3.66Å; Y3101-F3115 AromaticContact CE2-CZ 3.54Å; Y3101-F3115 HydrophobicContact CE2-CZ 3.54Å; Y3101-F3115 AromaticContact CG-CD1 3.84Å; Y3101-F3115 HydrophobicContact CG-CD1 3.84Å; Y3101-F3115 HydrophobicContact CG-CE1 4.11Å; Y3101-F3115 HydrophobicContact CG-CG 4.31Å; Y3101-F3115 AromaticContact CZ-CD2 3.99Å
3102	L	28.9	Very low	30.7	Very low	123.4 Å²	123.4	129.7 Å²	129.7	65%	0.646	67%	0.671	S	S	*	*			trans	87.3	122.6	131.7	-126.2	69.6	0	0	0	115.4	T2769 E2770 N3100 L3110 N3112 Q3113	T2769-L3102 WeakPolarHBondContact O-CA 3.19Å; T2769-L3102 WeakPolarHBondContact O-CD1 3.33Å; E2770-L3102 VanDerWaalsContact N-CD1 3.28Å; N3100-L3102 PolarHBondContact O-N 3.07Å; L3102-L3110 HydrophobicContact CD1-CD1 4.13Å; L3102-L3110 HydrophobicContact CD1-CD2 3.24Å; L3102-L3110 HydrophobicContact CD1-CG 3.62Å; L3102-L3110 HydrophobicContact CD2-CD2 4.04Å; L3102-L3110 HydrophobicContact CG-CD2 3.49Å; L3102-L3110 VanDerWaalsContact CG-CD2 3.49Å; L3102-L3110 HydrophobicContact CG-CG 4.41Å; L3102-N3112 HydrophobicContact CD1-CB 3.86Å; L3102-N3112 VanDerWaalsContact CD1-ND2 3.27Å; L3102-N3112 WeakPolarHBondContact CD1-ND2 3.5Å; L3102-N3112 HydrophobicContact CD2-CB 3.78Å; L3102-N3112 HydrophobicContact CG-CB 4.47Å; L3102-Q3113 HydrophobicContact CD2-CG 4.3Å
3103	I	29.5	Very low	30.7	Very low	131 Å²	131	128.6 Å²	128.6	67%	0.672	67%	0.668	S	S	*	*			trans	-2.9	152.1	156	-32.9	176	0	0	0	112.4	P2748 D2749 P2768 L3110	P2748-I3103 CarbonylContact O-C 3.31Å; P2748-I3103 VanDerWaalsContact O-C 3.3Å; P2748-I3103 WeakPolarHBondContact O-CB 3.01Å; P2748-I3103 WeakPolarHBondContact O-CG2 3.42Å; P2748-I3103 VanDerWaalsContact O-O 3.08Å; D2749-I3103 WeakPolarHBondContact O-CG2 2.95Å; P2768-I3103 CarbonylContact C-O 3.51Å; P2768-I3103 WeakPolarHBondContact CA-O 3.28Å; I3103-L3110 HydrophobicContact CG1-CD2 3.73Å
3104	P	34.5	Very low	30.7	Very low	96 Å²	96	130 Å²	130	62%	0.623	67%	0.669	S	S	*	*				-119.2	175.6	-72.5	27.2	-11.5	0	0	0	113.5	D2749 P2768 T2769	D2749-P3104 HydrophobicContact CB-CG 4.12Å; P2768-P3104 CarbonylContact C-O 3.53Å; P2768-P3104 WeakPolarHBondContact CA-O 3.32Å; P2768-P3104 WeakPolarHBondContact CB-O 3.12Å; T2769-P3104 PolarHBondContact N-O 3.33Å
3105	S	29	Very low	30.7	Very low	95.2 Å²	95.2	132.4 Å²	132.4	67%	0.666	67%	0.673	S	S	*	*			trans	-168.9	117.1	162.3	95.9	0	0	0	0	113.5	N3107	S3105-N3107 VanDerWaalsContact CA-N 3.27Å; S3105-N3107 WeakPolarHBondContact CA-OD1 3.47Å; S3105-N3107 VanDerWaalsContact CB-OD1 3.27Å; S3105-N3107 WeakPolarHBondContact CB-OD1 3.37Å; S3105-N3107 PolarHBondContact O-N 3.04Å; S3105-N3107 VanDerWaalsContact OG-CB 3.3Å; S3105-N3107 WeakPolarHBondContact OG-CB 3.29Å; S3105-N3107 PolarHBondContact OG-N 2.97Å; S3105-N3107 PolarHBondContact OG-ND2 3.42Å
3106	N	29.1	Very low	30.7	Very low	144 Å²	144	130.7 Å²	130.7	77%	0.77	68%	0.675	S	S	*	*			trans	0.8	112.5	131.1	-72.7	-16.1	0	0	0	115.6	E2770 L3109 L3110	E2770-N3106 PolarHBondContact OE1-ND2 3.31Å; N3106-L3109 CarbonylContact O-C 3.54Å; N3106-L3109 PolarHBondContact O-N 3.05Å; N3106-L3110 HydrophobicContact CB-CD1 4.07Å
3107	N	32.4	Very low	30.6	Very low	130.8 Å²	130.8	130 Å²	130	70%	0.699	67%	0.67	S	S	*	*			trans	-122.6	128.3	154.2	-87.5	-34.5	0	0	0	111	S3105 L3110	S3105-N3107 VanDerWaalsContact CA-N 3.27Å; S3105-N3107 WeakPolarHBondContact CA-OD1 3.47Å; S3105-N3107 VanDerWaalsContact CB-OD1 3.27Å; S3105-N3107 WeakPolarHBondContact CB-OD1 3.37Å; S3105-N3107 PolarHBondContact O-N 3.04Å; S3105-N3107 VanDerWaalsContact OG-CB 3.3Å; S3105-N3107 WeakPolarHBondContact OG-CB 3.29Å; S3105-N3107 PolarHBondContact OG-N 2.97Å; S3105-N3107 PolarHBondContact OG-ND2 3.42Å; N3107-L3110 HydrophobicContact CB-CB 4.2Å; N3107-L3110 VanDerWaalsContact OD1-CD1 3.27Å; N3107-L3110 WeakPolarHBondContact OD1-CD1 3.3Å; N3107-L3110 VanDerWaalsContact OD1-CD2 3.22Å; N3107-L3110 WeakPolarHBondContact OD1-CD2 3.27Å
3108	N	29.8	Very low	30.5	Very low	127 Å²	127	130.5 Å²	130.5	68%	0.679	67%	0.67	S	S	*	*				-47.8	124.7	126.1	-71	-40.1	0	0	0	114.1	L3110 T3111	N3108-L3110 VanDerWaalsContact CA-N 3.32Å; N3108-L3110 VanDerWaalsContact ND2-C 3.27Å; N3108-L3110 PolarHBondContact ND2-O 3.5Å; N3108-L3110 PolarHBondContact O-N 2.88Å; N3108-T3111 HydrophobicContact CB-CG2 4.35Å; N3108-T3111 PolarHBondContact ND2-N 3.41Å
3109	L	29.4	Very low	30.5	Very low	150.8 Å²	150.8	131.6 Å²	131.6	79%	0.79	68%	0.676	S	S	*	*			trans	-134.4	109.9	130.1	-147.7	73.7	0	0	0	110.3	I2771 N3106 T3111	I2771-L3109 HydrophobicContact CD1-CB 4.34Å; I2771-L3109 HydrophobicContact CD1-CD2 3.78Å; I2771-L3109 HydrophobicContact CD1-CG 3.72Å; I2771-L3109 WeakPolarHBondContact CD1-O 3.42Å; I2771-L3109 HydrophobicContact CG1-CG 3.95Å; I2771-L3109 WeakPolarHBondContact CG1-O 3.29Å; I2771-L3109 HydrophobicContact CG2-CG 4.37Å; N3106-L3109 CarbonylContact O-C 3.54Å; N3106-L3109 PolarHBondContact O-N 3.05Å; L3109-T3111 PolarHBondContact O-N 3.42Å
3110	L	29.3	Very low	30.2	Very low	122.4 Å²	122.4	132.7 Å²	132.7	64%	0.641	68%	0.684	S	S	*	*			trans	-129.5	108.6	164.8	-103.2	113.2	0	0	0	111.6	E2770 L3102 I3103 N3106 N3107 N3108 N3112	E2770-L3110 HydrophobicContact CG-CD1 4.46Å; L3102-L3110 HydrophobicContact CD1-CD1 4.13Å; L3102-L3110 HydrophobicContact CD1-CD2 3.24Å; L3102-L3110 HydrophobicContact CD1-CG 3.62Å; L3102-L3110 HydrophobicContact CD2-CD2 4.04Å; L3102-L3110 HydrophobicContact CG-CD2 3.49Å; L3102-L3110 VanDerWaalsContact CG-CD2 3.49Å; L3102-L3110 HydrophobicContact CG-CG 4.41Å; I3103-L3110 HydrophobicContact CG1-CD2 3.73Å; N3106-L3110 HydrophobicContact CB-CD1 4.07Å; N3107-L3110 HydrophobicContact CB-CB 4.2Å; N3107-L3110 VanDerWaalsContact OD1-CD1 3.27Å; N3107-L3110 WeakPolarHBondContact OD1-CD1 3.3Å; N3107-L3110 VanDerWaalsContact OD1-CD2 3.22Å; N3107-L3110 WeakPolarHBondContact OD1-CD2 3.27Å; N3108-L3110 VanDerWaalsContact CA-N 3.32Å; N3108-L3110 VanDerWaalsContact ND2-C 3.27Å; N3108-L3110 PolarHBondContact ND2-O 3.5Å; N3108-L3110 PolarHBondContact O-N 2.88Å; L3110-N3112 PolarHBondContact O-N 3.15Å
3111	T	30.7	Very low	30.1	Very low	121 Å²	121	133.3 Å²	133.3	74%	0.742	69%	0.691	S	S	*	*			trans	-105.6	103	133.9	22	0	0	0	0	112.2	N3108 L3109 Q3113	N3108-T3111 HydrophobicContact CB-CG2 4.35Å; N3108-T3111 PolarHBondContact ND2-N 3.41Å; L3109-T3111 PolarHBondContact O-N 3.42Å; T3111-Q3113 PolarHBondContact O-N 2.96Å
3112	N	27.5	Very low	30.2	Very low	112.8 Å²	112.8	130.7 Å²	130.7	60%	0.603	69%	0.692	S	S	*	*			trans	-98.4	125.7	149	-155.1	-4.4	0	0	0	110.5	E2770 I2771 L3102 L3110 N3114	E2770-N3112 VanDerWaalsContact C-ND2 3.31Å; E2770-N3112 PolarHBondContact O-ND2 3.34Å; I2771-N3112 VanDerWaalsContact N-CG 3.3Å; I2771-N3112 PolarHBondContact N-ND2 2.7Å; L3102-N3112 HydrophobicContact CD1-CB 3.86Å; L3102-N3112 VanDerWaalsContact CD1-ND2 3.27Å; L3102-N3112 WeakPolarHBondContact CD1-ND2 3.5Å; L3102-N3112 HydrophobicContact CD2-CB 3.78Å; L3102-N3112 HydrophobicContact CG-CB 4.47Å; L3110-N3112 PolarHBondContact O-N 3.15Å; N3112-N3114 PolarHBondContact OD1-N 2.77Å
3113	Q	31.5	Very low	30.2	Very low	146 Å²	146	134.5 Å²	134.5	68%	0.682	70%	0.699	S	S	*	*			trans	173.7	110.2	135.1	-74.1	-85.4	-20.4	0	0	112.6	Y3101 L3102 T3111	Y3101-Q3113 HydrophobicContact CE1-CB 4.06Å; Y3101-Q3113 HydrophobicContact CE1-CG 3.89Å; Y3101-Q3113 VanDerWaalsContact OH-C 3.28Å; Y3101-Q3113 VanDerWaalsContact OH-CB 3.28Å; Y3101-Q3113 WeakPolarHBondContact OH-CB 3.5Å; Y3101-Q3113 PolarHBondContact OH-OE1 2.81Å; Y3101-Q3113 VanDerWaalsContact OH-OE1 3.09Å; L3102-Q3113 HydrophobicContact CD2-CG 4.3Å; T3111-Q3113 PolarHBondContact O-N 2.96Å
3114	N	30.5	Very low	30.2	Very low	118.6 Å²	118.6	135 Å²	135	63%	0.634	70%	0.703	S	S	*	*			trans	82	113.5	136.3	-63.6	-49.5	0	0	0	116.8	Y3101 N3112	Y3101-N3114 WeakPolarHBondContact OH-CA 3.14Å; Y3101-N3114 PolarHBondContact OH-OD1 3.19Å; N3112-N3114 PolarHBondContact OD1-N 2.77Å
3115	F	30.4	Very low	29.9	Very low	174.4 Å²	174.4	133.7 Å²	133.7	77%	0.765	71%	0.707	S	S	*	*				176	139.1	100	-92.8	-79.5	0	0	0	116.7	Y3101	Y3101-F3115 AromaticContact CD2-CD1 3.37Å; Y3101-F3115 HydrophobicContact CD2-CD1 3.37Å; Y3101-F3115 HydrophobicContact CD2-CD2 4.15Å; Y3101-F3115 AromaticContact CD2-CE1 3.27Å; Y3101-F3115 HydrophobicContact CD2-CE1 3.27Å; Y3101-F3115 HydrophobicContact CD2-CE2 4.05Å; Y3101-F3115 AromaticContact CD2-CG 3.83Å; Y3101-F3115 HydrophobicContact CD2-CG 3.83Å; Y3101-F3115 AromaticContact CD2-CZ 3.63Å; Y3101-F3115 HydrophobicContact CD2-CZ 3.63Å; Y3101-F3115 AromaticContact CE2-CD1 3.7Å; Y3101-F3115 HydrophobicContact CE2-CD1 3.7Å; Y3101-F3115 AromaticContact CE2-CD2 3.57Å; Y3101-F3115 HydrophobicContact CE2-CD2 3.57Å; Y3101-F3115 AromaticContact CE2-CE1 3.65Å; Y3101-F3115 HydrophobicContact CE2-CE1 3.65Å; Y3101-F3115 AromaticContact CE2-CE2 3.5Å; Y3101-F3115 HydrophobicContact CE2-CE2 3.5Å; Y3101-F3115 VanDerWaalsContact CE2-CE2 3.5Å; Y3101-F3115 AromaticContact CE2-CG 3.66Å; Y3101-F3115 HydrophobicContact CE2-CG 3.66Å; Y3101-F3115 AromaticContact CE2-CZ 3.54Å; Y3101-F3115 HydrophobicContact CE2-CZ 3.54Å; Y3101-F3115 AromaticContact CG-CD1 3.84Å; Y3101-F3115 HydrophobicContact CG-CD1 3.84Å; Y3101-F3115 HydrophobicContact CG-CE1 4.11Å; Y3101-F3115 HydrophobicContact CG-CG 4.31Å; Y3101-F3115 AromaticContact CZ-CD2 3.99Å
3116	M	32.7	Very low	29.9	Very low	151.4 Å²	151.4	136.4 Å²	136.4	75%	0.746	71%	0.714	S	S	*	*			trans	45.7	116.1	156.7	-69.8	-143.1	156.3	0	0	117.9	M3099 N3100	M3099-M3116 WeakPolarHBondContact O-CA 3.43Å; N3100-M3116 VanDerWaalsContact O-CA 3.23Å; N3100-M3116 WeakPolarHBondContact O-CA 3.37Å; N3100-M3116 PolarHBondContact O-N 3.34Å; N3100-M3116 VanDerWaalsContact O-N 3.11Å; N3100-M3116 WeakPolarHBondContact OD1-CE 3.4Å
3117	K	29.2	Very low	29.9	Very low	170.8 Å²	170.8	136.6 Å²	136.6	74%	0.743	71%	0.714	S	S	*	*				-135.3	122.4	125.8	-112.2	165.5	-173.5	177.1	0	112.7	M3097 N3098 M3099	M3097-K3117 WeakPolarHBondContact O-CD 3.16Å; M3097-K3117 WeakPolarHBondContact O-CE 3.33Å; M3097-K3117 WeakPolarHBondContact O-CG 3.43Å; N3098-K3117 WeakPolarHBondContact O-CA 3.45Å; M3099-K3117 VanDerWaalsContact O-CA 3.3Å; M3099-K3117 WeakPolarHBondContact O-CA 3.49Å; M3099-K3117 PolarHBondContact O-N 3.33Å
3118	H	30.9	Very low	29.9	Very low	147 Å²	147	136.2 Å²	136.2	68%	0.681	71%	0.712	S	S	*	*			trans	164.1	124.5	143.3	-79.3	-67	0	0	0	115.1	N3098	N3098-H3118 HydrophobicContact CB-CB 4.22Å; N3098-H3118 WeakPolarHBondContact ND2-CB 3.28Å; N3098-H3118 PolarHBondContact ND2-ND1 3.35Å; N3098-H3118 PolarHBondContact O-N 3.48Å
3119	N	30.5	Very low	30	Very low	132.2 Å²	132.2	138.1 Å²	138.1	71%	0.707	71%	0.714	S	S	*	*				80.1	115.6	115	-76.1	-9	0	0	0	118.9
3120	N	27.7	Very low	30.1	Very low	137.2 Å²	137.2	137.6 Å²	137.6	73%	0.734	71%	0.713	S	S	*	*				75.9	134.1	106	-129.9	9.2	0	0	0	118.5
3121	T	30.3	Very low	30.1	Very low	109.8 Å²	109.8	138.2 Å²	138.2	67%	0.674	72%	0.716	S	S	*	*			trans	101.4	128.4	133.3	-1.9	0	0	0	0	116.5
3122	T	31.1	Very low	30.1	Very low	102.2 Å²	102.2	138.2 Å²	138.2	63%	0.627	71%	0.712	S	S	*	*				112.1	130.6	124.7	-41.9	0	0	0	0	116.6	K2696	K2696-T3122 WeakPolarHBondContact CA-OG1 3.22Å; K2696-T3122 HydrophobicContact CB-CG2 3.82Å; K2696-T3122 HydrophobicContact CG-CG2 4.2Å; K2696-T3122 PolarHBondContact N-OG1 3.48Å
3123	Y	27.9	Very low	30.3	Very low	203.8 Å²	203.8	139.2 Å²	139.2	80%	0.799	72%	0.717	S	S	*	*				0.2	133.3	115.8	-104	-99.2	0	0	0	117.9
3124	N	28.9	Very low	30.1	Very low	141.2 Å²	141.2	139.1 Å²	139.1	76%	0.755	72%	0.721	S	S	*	*				50.6	132	128.3	-115.5	-6.4	0	0	0	116.3
3125	G	29.8	Very low	30	Very low	68.8 Å²	68.8	140.4 Å²	140.4	71%	0.709	73%	0.727	S	S	*	*			trans	-171.5	119.1	174.8	0	0	0	0	0	113.3
3126	N	27.7	Very low	29.9	Very low	151.8 Å²	151.8	136.7 Å²	136.7	81%	0.812	72%	0.723	S	S	*	*			trans	-178.8	142.7	159.4	-108.1	-18.5	0	0	0	114.7
3127	L	30.7	Very low	29.7	Very low	148 Å²	148	134.8 Å²	134.8	78%	0.775	72%	0.724	S	S	*	*			trans	100.3	124.9	162.3	-78.9	160.6	0	0	0	114.1
3128	N	30.9	Very low	29.7	Very low	122.6 Å²	122.6	131.6 Å²	131.6	66%	0.656	72%	0.723	S	S	*	*				-167.7	129.1	128.1	-134.4	-11	0	0	0	113.7
3129	K	33.3	Very low	29.6	Very low	167 Å²	167	129.3 Å²	129.3	73%	0.726	72%	0.724	S	S	*	*			trans	29.9	124.9	147	-69.5	168.6	-172.5	172.9	0	113.9
3130	N	31	Very low	29.6	Very low	141.4 Å²	141.4	129.5 Å²	129.5	76%	0.756	73%	0.725	S	S	*	*				-177.9	141.9	58	-101.5	-1.3	0	0	0	111
3131	N	29.8	Very low	29.7	Very low	134 Å²	134	130.4 Å²	130.4	72%	0.717	73%	0.727	S	S	*	*				172.4	133.2	126.4	-154.9	22.9	0	0	0	111.8	N3245	N3131-N3245 CarbonylContact C-O 3.05Å
3132	N	29.2	Very low	29.9	Very low	120.2 Å²	120.2	131.4 Å²	131.4	64%	0.643	73%	0.726	S	S	*	*			trans	132.7	134	137.1	-89.6	-8.6	0	0	0	114	N3245	N3132-N3245 CarbonylContact C-O 3.54Å; N3132-N3245 PolarHBondContact N-O 3.04Å
3133	N	31.5	Very low	30.1	Very low	134.8 Å²	134.8	135.6 Å²	135.6	72%	0.721	73%	0.731	S	S	*	*				114.7	128.2	129.5	-72.9	-21.8	0	0	0	116.9	I3135 D3246	N3133-I3135 PolarHBondContact O-N 2.89Å; N3133-D3246 CarbonylContact C-O 3.16Å; N3133-D3246 VanDerWaalsContact C-O 3.26Å; N3133-D3246 WeakPolarHBondContact CA-O 3.3Å; N3133-D3246 PolarHBondContact N-O 3.16Å
3134	N	27.8	Very low	30.4	Very low	143 Å²	143	132.7 Å²	132.7	77%	0.765	73%	0.727	S	S	*	*			trans	-32.8	133.4	144.1	-73.2	-25.9	0	0	0	115.4	D3246 E3247	N3134-D3246 CarbonylContact C-O 3.33Å; N3134-D3246 VanDerWaalsContact CA-O 3.29Å; N3134-D3246 WeakPolarHBondContact CA-O 3.39Å; N3134-D3246 PolarHBondContact N-O 3.11Å; N3134-D3246 VanDerWaalsContact N-O 3.12Å; N3134-E3247 CarbonylContact C-O 3.29Å; N3134-E3247 WeakPolarHBondContact CA-O 3.03Å
3135	I	29.3	Very low	30.6	Very low	147.8 Å²	147.8	132.2 Å²	132.2	76%	0.758	73%	0.725	S	S	*	*				105.5	133.4	117.7	-78.2	167.2	0	0	0	112.5	N3133 E3247 N3249	N3133-I3135 PolarHBondContact O-N 2.89Å; I3135-E3247 PolarHBondContact N-O 3.21Å; I3135-N3249 HydrophobicContact CG1-CB 4.15Å; I3135-N3249 HydrophobicContact CG2-CB 4.4Å
3136	S	27.9	Very low	30.9	Very low	96.2 Å²	96.2	134.9 Å²	134.9	67%	0.673	72%	0.723	S	S	*	*			trans	126.2	122	158.8	-69.9	0	0	0	0	116.5	N3249	S3136-N3249 WeakPolarHBondContact OG-CB 2.98Å
3137	S	28.7	Very low	31.4	Very low	111.4 Å²	111.4	134.2 Å²	134.2	78%	0.779	72%	0.719	S	S	*	*			trans	153.3	132.9	141.1	-64.2	0	0	0	0	113.6	L3248	S3137-L3248 VanDerWaalsContact N-CD2 3.31Å; S3137-L3248 WeakPolarHBondContact O-CD2 3.45Å
3138	S	28.7	Very low	31.5	Very low	102.6 Å²	102.6	135 Å²	135	72%	0.717	72%	0.718	S	S	*	*			trans	-142.3	135.3	138.5	45.5	0	0	0	0	116.6
3139	S	29.8	Very low	31.7	Very low	99 Å²	99	136.9 Å²	136.9	69%	0.692	73%	0.725	S	S	*	*			trans	41.5	134.3	139.1	45.1	0	0	0	0	118.1	E3247	S3139-E3247 PolarHBondContact OG-OE1 2.81Å
3140	N	29.7	Very low	31.8	Very low	136.4 Å²	136.4	135.8 Å²	135.8	73%	0.729	73%	0.727	S	S	*	*			cis	-158.4	143.3	41.2	-115.1	-17.3	0	0	0	111	R3143 K3239	N3140-R3143 PolarHBondContact OD1-NH2 3.13Å; N3140-R3143 VanDerWaalsContact OD1-NH2 3.08Å; N3140-K3239 PolarHBondContact O-NZ 3.09Å
3141	M	30.1	Very low	31.9	Very low	157.4 Å²	157.4	136.8 Å²	136.8	78%	0.775	73%	0.731	S	S	*	*			trans	-117.2	137.7	147.3	-97	-169.4	35.3	0	0	110.8	R3143	M3141-R3143 PolarHBondContact O-N 3.35Å; M3141-R3143 PolarHBondContact O-NE 2.97Å; M3141-R3143 PolarHBondContact O-NH2 3.28Å
3142	I	33.5	Very low	32	Very low	130.2 Å²	130.2	139.3 Å²	139.3	67%	0.668	74%	0.739	S	S	*	*			trans	-158.8	114.1	149	-72.2	159.1	0	0	0	108.9	Q3241	I3142-Q3241 VanDerWaalsContact CG2-CD 3.43Å; I3142-Q3241 HydrophobicContact CG2-CG 4.01Å
3143	R	36	Very low	32	Very low	191 Å²	191	137.6 Å²	137.6	72%	0.721	74%	0.742	S	S	*	*				-174	133	120.4	-100.3	-175.7	-96.1	-154.8	3.5	109.6	N3140 M3141 N3145 K3239 T3240 F3242	N3140-R3143 PolarHBondContact OD1-NH2 3.13Å; N3140-R3143 VanDerWaalsContact OD1-NH2 3.08Å; M3141-R3143 PolarHBondContact O-N 3.35Å; M3141-R3143 PolarHBondContact O-NE 2.97Å; M3141-R3143 PolarHBondContact O-NH2 3.28Å; R3143-N3145 PolarHBondContact O-N 3.06Å; R3143-K3239 HydrophobicContact CG-CB 4.28Å; R3143-T3240 WeakPolarHBondContact CD-O 3.44Å; R3143-T3240 PolarHBondContact NH1-O 3.11Å; R3143-F3242 PolarHBondContact NH1-O 3.45Å
3144	I	34.1	Very low	32	Very low	142.2 Å²	142.2	135.5 Å²	135.5	73%	0.729	74%	0.743	S	S	*	*			trans	-101.6	135.2	169.6	-76.8	164.3	0	0	0	109.1
3145	N	33.6	Very low	32.2	Very low	131.4 Å²	131.4	136.3 Å²	136.3	70%	0.703	75%	0.746	S	S	*	*			trans	-150.1	123.2	162.5	-127.7	27.2	0	0	0	112.9	R3143 N3147	R3143-N3145 PolarHBondContact O-N 3.06Å; N3145-N3147 PolarHBondContact O-N 3.3Å; N3145-N3147 PolarHBondContact OD1-ND2 3.17Å
3146	D	34.9	Very low	32.3	Very low	123.8 Å²	123.8	136.9 Å²	136.9	66%	0.662	75%	0.75	S	S	*	*			trans	-43.6	129.1	157.6	-58.1	-37.1	0	0	0	115.9
3147	N	37.9	Very low	32.3	Very low	137.4 Å²	137.4	137.4 Å²	137.4	74%	0.735	75%	0.753	S	S	*	*			trans	-140.5	128.5	158.7	-76.9	-53.7	0	0	0	109.9	N3145	N3145-N3147 PolarHBondContact O-N 3.3Å; N3145-N3147 PolarHBondContact OD1-ND2 3.17Å
3148	H	34	Very low	32.4	Very low	164.8 Å²	164.8	138.4 Å²	138.4	76%	0.763	76%	0.755	S	S	*	*			trans	144.5	101.1	147.6	-71.9	-56.5	0	0	0	112.4
3149	M	35.2	Very low	32.4	Very low	162.4 Å²	162.4	138.7 Å²	138.7	80%	0.8	76%	0.757	S	S	*	*				-160.3	146	113	-86.5	-69.8	-82.3	0	0	110
3150	L	35.8	Very low	32.5	Very low	144.4 Å²	144.4	140 Å²	140	76%	0.756	76%	0.761	S	S	*	*			trans	94.6	103.7	161.9	-57.1	179	0	0	0	115.5	A3153	L3150-A3153 HydrophobicContact CD2-CB 4.36Å
3151	L	33.3	Very low	32.6	Very low	163 Å²	163	139.4 Å²	139.4	85%	0.853	76%	0.763	S	S	*	*				-122.8	133.4	120	-103.7	112.4	0	0	0	113.6	A3153	L3151-A3153 PolarHBondContact O-N 2.8Å
3152	E	30.2	Very low	32.8	Very low	185.6 Å²	185.6	137.5 Å²	137.5	87%	0.867	76%	0.762	S	S	*	*			trans	-112.2	132.4	173.3	-70.5	-112	148.6	0	0	111.5
3153	A	29.9	Very low	32.5	Very low	85.6 Å²	85.6	136.3 Å²	136.3	71%	0.707	77%	0.765	S	S	*	*			trans	-178.2	107	155.4	0	0	0	0	0	113.5	L3150 L3151	L3150-A3153 HydrophobicContact CD2-CB 4.36Å; L3151-A3153 PolarHBondContact O-N 2.8Å
3154	A	31.5	Very low	32.3	Very low	90.2 Å²	90.2	132.3 Å²	132.3	75%	0.745	77%	0.766	S	S	*	*			trans	176.5	88.9	161.3	0	0	0	0	0	115.9	L3156	A3154-L3156 PolarHBondContact O-N 3.35Å
3155	L	31.8	Very low	32.1	Very low	158.8 Å²	158.8	132.9 Å²	132.9	83%	0.831	77%	0.766	S	S	*	*			trans	-75.2	121.9	141.7	-67	174	0	0	0	112.1	S3157	L3155-S3157 PolarHBondContact O-N 3.15Å
3156	L	31.7	Very low	31.9	Very low	161.2 Å²	161.2	135.8 Å²	135.8	84%	0.844	77%	0.773	S	S	*	*			trans	153.4	127.4	139	-82.3	167.3	0	0	0	113.1	A3154	A3154-L3156 PolarHBondContact O-N 3.35Å
3157	S	28.9	Very low	31.6	Very low	106.4 Å²	106.4	133.3 Å²	133.3	74%	0.744	78%	0.776	S	S	*	*			trans	-151.6	120.5	142.1	-81.7	0	0	0	0	113.9	L3155 S3159	L3155-S3157 PolarHBondContact O-N 3.15Å; S3157-S3159 VanDerWaalsContact C-N 3.31Å; S3157-S3159 PolarHBondContact O-N 3.07Å; S3157-S3159 VanDerWaalsContact O-N 3.16Å
3158	T	29.6	Very low	31.2	Very low	132 Å²	132	131.7 Å²	131.7	81%	0.81	78%	0.782	S	S	*	*			trans	-30.1	116.7	160.6	48.4	0	0	0	0	114.2	T3160	T3158-T3160 PolarHBondContact O-N 3.32Å; T3158-T3160 VanDerWaalsContact O-N 3.1Å
3159	S	29.8	Very low	31.1	Very low	109 Å²	109	128.4 Å²	128.4	76%	0.762	78%	0.784	S	S	*	*			trans	-132.7	135.8	138.7	57.1	0	0	0	0	110.9	S3157 T3161	S3157-S3159 VanDerWaalsContact C-N 3.31Å; S3157-S3159 PolarHBondContact O-N 3.07Å; S3157-S3159 VanDerWaalsContact O-N 3.16Å; S3159-T3161 PolarHBondContact O-N 3.21Å
3160	T	31.9	Very low	31	Very low	126 Å²	126	127 Å²	127	77%	0.773	78%	0.784	S	S	*	*			trans	-70.5	119	155.5	41.6	0	0	0	0	114.2	T3158 P3162	T3158-T3160 PolarHBondContact O-N 3.32Å; T3158-T3160 VanDerWaalsContact O-N 3.1Å; T3160-P3162 WeakPolarHBondContact O-CD 3.36Å
3161	T	31.7	Very low	30.8	Very low	125.2 Å²	125.2	126.9 Å²	126.9	77%	0.768	78%	0.784	S	S	*	*			trans	-99.1	144.3	135.3	18.8	0	0	0	0	111.8	S3159	S3159-T3161 PolarHBondContact O-N 3.21Å
3162	P	34.3	Very low	30.8	Very low	116.4 Å²	116.4	124.7 Å²	124.7	76%	0.756	78%	0.783	S	S	*	*			trans	-113.6	161.2	155.7	38.1	-26	0	0	0	113.5	T3160 N3554	T3160-P3162 WeakPolarHBondContact O-CD 3.36Å; P3162-N3554 WeakPolarHBondContact O-CB 3.07Å; P3162-N3554 PolarHBondContact O-ND2 3.47Å
3163	S	27.4	Very low	30.8	Very low	106.4 Å²	106.4	121.1 Å²	121.1	74%	0.744	78%	0.778	S	S	*	*			trans	-168.1	132.7	168.7	-115.4	0	0	0	0	115	N3554	S3163-N3554 WeakPolarHBondContact CB-O 3.21Å; S3163-N3554 WeakPolarHBondContact OG-CA 3.34Å; S3163-N3554 PolarHBondContact OG-N 2.69Å; S3163-N3554 VanDerWaalsContact OG-N 3.08Å; S3163-N3554 PolarHBondContact OG-O 2.85Å
3164	S	31.4	Very low	31	Very low	106 Å²	106	122 Å²	122	74%	0.741	78%	0.779	S	S	*	*				-170.5	150.2	128	61.4	0	0	0	0	111.6	N3553	S3164-N3553 PolarHBondContact O-ND2 2.96Å
3165	Q	28.5	Very low	30.9	Very low	155.6 Å²	155.6	123.9 Å²	123.9	73%	0.727	78%	0.777	S	S	*	*			trans	-149.2	141.9	-147.2	-138.2	174.3	9.2	0	0	110.8
3166	F	30.7	Very low	31.2	Very low	190.8 Å²	190.8	122.6 Å²	122.6	84%	0.837	77%	0.77	S	S	*	*			trans	102.6	143.8	157.8	-72.1	-78.8	0	0	0	115
3167	G	27.6	Very low	31.2	Very low	71.4 Å²	71.4	120.7 Å²	120.7	74%	0.736	76%	0.761	S	S	*	*			cis	158.2	128.6	-17	0	0	0	0	0	114.5
3168	A	29.5	Very low	31.2	Very low	103.8 Å²	103.8	125.5 Å²	125.5	86%	0.858	77%	0.765	S	S	*	*			trans	73.1	115.4	141.1	0	0	0	0	0	118.3
3169	A	32.2	Very low	31.3	Very low	96.2 Å²	96.2	123.8 Å²	123.8	80%	0.795	76%	0.758	S	S	*	*				-174.6	143.1	120.7	0	0	0	0	0	113.1
3170	V	34	Very low	31.2	Very low	132 Å²	132	123.9 Å²	123.9	80%	0.8	75%	0.753	S	S	*	*			trans	-176.6	122.6	158.4	171.8	0	0	0	0	112.3
3171	D	31.2	Very low	31	Very low	143.4 Å²	143.4	124 Å²	124	77%	0.767	75%	0.75	S	S	*	*			trans	-57.6	144.8	153	-73	-50.1	0	0	0	117.3
3172	S	32.9	Very low	31	Very low	117.6 Å²	117.6	124.9 Å²	124.9	82%	0.822	74%	0.744	S	S	*	*			trans	81.9	132	147.1	-66.6	0	0	0	0	117.2
3173	S	31	Very low	30.8	Very low	109.8 Å²	109.8	125.7 Å²	125.7	77%	0.768	74%	0.742	S	S	*	*			trans	-126.8	158.1	163.8	59.8	0	0	0	0	113.7
3174	S	33.5	Very low	31.1	Very low	104.4 Å²	104.4	129.9 Å²	129.9	73%	0.73	75%	0.75	S	S	*	*				117.9	128.6	119.1	109.8	0	0	0	0	114.9
3175	N	29.7	Very low	31.2	Very low	129.6 Å²	129.6	128.2 Å²	128.2	69%	0.693	75%	0.749	S	S	*	*			trans	91.5	117.7	139.6	-132.6	52.9	0	0	0	117.5	N3177	N3175-N3177 PolarHBondContact ND2-ND2 3.18Å
3176	D	36.6	Very low	31.3	Very low	130.6 Å²	130.6	130.8 Å²	130.8	70%	0.698	76%	0.758	S	S	*	*			trans	162.6	126.8	132.6	-87.1	-24.4	0	0	0	115.9
3177	N	32	Very low	31.4	Very low	122.2 Å²	122.2	130.6 Å²	130.6	65%	0.653	76%	0.76	S	S	*	*				116.2	128.5	124.3	-91.8	-32.1	0	0	0	116.3	N3175	N3175-N3177 PolarHBondContact ND2-ND2 3.18Å
3178	Y	28.8	Very low	31.4	Very low	208 Å²	208	134.6 Å²	134.6	82%	0.816	76%	0.763	S	S	*	*			trans	65	128.2	153.1	-80.1	-75.9	0	0	0	118.4
3179	S	31.8	Very low	31.5	Very low	96 Å²	96	136.1 Å²	136.1	67%	0.671	76%	0.756	S	S	*	*			trans	-177.6	123.1	148.1	-160	0	0	0	0	114.5
3180	V	28.3	Very low	31.4	Very low	109.8 Å²	109.8	137.9 Å²	137.9	67%	0.665	75%	0.752	S	S	*	*			trans	-58.2	119.3	144.6	-178.9	0	0	0	0	114	Q2201 H3182	Q2201-V3180 HydrophobicContact CB-CB 4.03Å; Q2201-V3180 HydrophobicContact CB-CG1 3.53Å; Q2201-V3180 WeakPolarHBondContact CB-O 3.46Å; Q2201-V3180 PolarHBondContact N-O 2.86Å; Q2201-V3180 WeakPolarHBondContact O-CB 3.39Å; Q2201-V3180 WeakPolarHBondContact O-CG1 3.28Å; Q2201-V3180 WeakPolarHBondContact O-CG2 3.07Å; V3180-H3182 PolarHBondContact O-N 3.38Å
3181	N	28.1	Very low	31.2	Very low	129.6 Å²	129.6	138.7 Å²	138.7	69%	0.693	75%	0.752	S	S	*	*			trans	-79.4	123.6	152.3	-128.7	7.9	0	0	0	117.6	N3183	N3181-N3183 PolarHBondContact O-N 3.45Å
3182	H	31.6	Very low	31.2	Very low	142.6 Å²	142.6	137.2 Å²	137.2	66%	0.66	75%	0.753	S	S	*	*			trans	-29.4	118.3	140.7	-99.3	48	0	0	0	116.8	Q2201 V3180	Q2201-H3182 VanDerWaalsContact CD-CG 3.44Å; Q2201-H3182 HydrophobicContact CG-CB 3.88Å; Q2201-H3182 VanDerWaalsContact CG-CG 3.48Å; Q2201-H3182 VanDerWaalsContact CG-ND1 3.27Å; Q2201-H3182 WeakPolarHBondContact CG-ND1 3.32Å; Q2201-H3182 PolarHBondContact NE2-CE1 3.38Å; Q2201-H3182 PolarHBondContact NE2-ND1 3.2Å; Q2201-H3182 PolarHBondContact NE2-NE2 3.16Å; Q2201-H3182 PolarHBondContact OE1-CE1 3.49Å; Q2201-H3182 PolarHBondContact OE1-ND1 3.37Å; V3180-H3182 PolarHBondContact O-N 3.38Å
3183	N	30.7	Very low	31.1	Very low	133.2 Å²	133.2	136.9 Å²	136.9	71%	0.712	75%	0.751	S	S	*	*			trans	51.3	123.7	130.8	-78.2	-47.2	0	0	0	117.8	N3181	N3181-N3183 PolarHBondContact O-N 3.45Å
3184	H	33.8	Very low	31.2	Very low	194.6 Å²	194.6	136.3 Å²	136.3	90%	0.901	75%	0.747	S	S	*	*			trans	-119.4	143.3	146.3	-72	-75	0	0	0	111
3185	G	31.8	Very low	31.2	Very low	70.8 Å²	70.8	138.5 Å²	138.5	73%	0.73	75%	0.75	S	S	*	*			trans	-172.9	117.6	157.8	0	0	0	0	0	112.8	Q3187	G3185-Q3187 PolarHBondContact O-N 2.79Å; G3185-Q3187 VanDerWaalsContact O-N 3.17Å
3186	K	32.5	Very low	31.5	Very low	210.2 Å²	210.2	139.3 Å²	139.3	91%	0.914	75%	0.753	S	S	*	*			trans	-39	119.7	169.1	-68.6	169.9	-176.2	178.2	0	113.8
3187	Q	30.7	Very low	31.5	Very low	187.4 Å²	187.4	139 Å²	139	88%	0.876	75%	0.751	S	S	*	*			trans	-145.1	154.6	136	-109	172.6	15.8	0	0	111.7	G3185 I3189	G3185-Q3187 PolarHBondContact O-N 2.79Å; G3185-Q3187 VanDerWaalsContact O-N 3.17Å; Q3187-I3189 VanDerWaalsContact C-N 3.31Å; Q3187-I3189 PolarHBondContact O-N 2.75Å
3188	L	29.7	Very low	31.7	Very low	154.2 Å²	154.2	139.3 Å²	139.3	81%	0.807	75%	0.752	S	S	*	*			trans	-65.5	127.5	173.1	-136.7	75.2	0	0	0	109.9	N3190	L3188-N3190 VanDerWaalsContact C-N 3.31Å; L3188-N3190 PolarHBondContact O-N 2.96Å; L3188-N3190 VanDerWaalsContact O-N 3.13Å
3189	I	31.4	Very low	32.6	Very low	135.8 Å²	135.8	136.7 Å²	136.7	70%	0.696	75%	0.752	S	S	*	*			trans	-121	117.5	135	-68.9	168.8	0	0	0	108	Q3187 N3191 L3575	Q3187-I3189 VanDerWaalsContact C-N 3.31Å; Q3187-I3189 PolarHBondContact O-N 2.75Å; I3189-N3191 PolarHBondContact O-N 2.8Å; I3189-L3575 HydrophobicContact CD1-CD1 3.71Å
3190	N	29.3	Very low	33.2	Very low	133.6 Å²	133.6	138.8 Å²	138.8	71%	0.714	76%	0.756	S	S	*	*			trans	-28.7	118.9	163	-71.3	-6.7	0	0	0	113.4	L3188 S3192	L3188-N3190 VanDerWaalsContact C-N 3.31Å; L3188-N3190 PolarHBondContact O-N 2.96Å; L3188-N3190 VanDerWaalsContact O-N 3.13Å; N3190-S3192 VanDerWaalsContact C-N 3.33Å; N3190-S3192 PolarHBondContact O-N 3.02Å
3191	N	29.9	Very low	33.7	Very low	148.6 Å²	148.6	139.8 Å²	139.8	80%	0.795	76%	0.757	S	S	*	*			trans	-38.1	114	152.7	-72	-5.7	0	0	0	112.6	I3189 S3193	I3189-N3191 PolarHBondContact O-N 2.8Å; N3191-S3193 PolarHBondContact O-N 3.04Å
3192	S	30.3	Very low	34.6	Very low	113.2 Å²	113.2	138.5 Å²	138.5	79%	0.792	75%	0.754	S	S	*	*			trans	-88.8	113.5	150.7	-69.4	0	0	0	0	112.4	N3190 S3194	N3190-S3192 VanDerWaalsContact C-N 3.33Å; N3190-S3192 PolarHBondContact O-N 3.02Å; S3192-S3194 VanDerWaalsContact C-N 3.33Å; S3192-S3194 PolarHBondContact O-N 2.98Å; S3192-S3194 VanDerWaalsContact O-N 3.12Å
3193	S	32	Very low	35.2	Very low	111.6 Å²	111.6	136.2 Å²	136.2	78%	0.78	75%	0.754	S	S	*	*			trans	-58.1	120.5	157.3	51.1	0	0	0	0	110.6	N3191 N3195	N3191-S3193 PolarHBondContact O-N 3.04Å; S3193-N3195 VanDerWaalsContact C-N 3.31Å; S3193-N3195 PolarHBondContact O-N 3.06Å
3194	S	33.3	Very low	35.8	Very low	97 Å²	97	137.8 Å²	137.8	68%	0.678	76%	0.757	S	S	*	*			trans	-102.6	124.9	148	53.4	0	0	0	0	109.4	S3192 I3196	S3192-S3194 VanDerWaalsContact C-N 3.33Å; S3192-S3194 PolarHBondContact O-N 2.98Å; S3192-S3194 VanDerWaalsContact O-N 3.12Å; S3194-I3196 VanDerWaalsContact C-N 3.31Å; S3194-I3196 PolarHBondContact O-N 3.16Å
3195	N	32.8	Very low	36.4	Very low	150.4 Å²	150.4	135.8 Å²	135.8	80%	0.804	75%	0.748	S	S	*	*			trans	-60.5	119.3	150.4	-86.6	1.3	0	0	0	109.4	S3193 D3197	S3193-N3195 VanDerWaalsContact C-N 3.31Å; S3193-N3195 PolarHBondContact O-N 3.06Å; N3195-D3197 PolarHBondContact O-N 3.32Å
3196	I	36.4	Very low	36.8	Very low	145.6 Å²	145.6	139 Å²	139	75%	0.747	75%	0.748	S	S	*	*			trans	-96.4	121.9	150.6	-67.7	173.2	0	0	0	106	S3194 L3198	S3194-I3196 VanDerWaalsContact C-N 3.31Å; S3194-I3196 PolarHBondContact O-N 3.16Å; I3196-L3198 PolarHBondContact O-N 3.11Å
3197	D	36.4	Very low	37	Very low	125 Å²	125	137.6 Å²	137.6	67%	0.668	74%	0.742	S	S	*	*			trans	-90.9	130.9	176.5	-132.1	-12	0	0	0	108	N3195 D3199 D3200	N3195-D3197 PolarHBondContact O-N 3.32Å; D3197-D3199 VanDerWaalsContact C-N 3.33Å; D3197-D3199 PolarHBondContact O-N 2.96Å; D3197-D3200 PolarHBondContact O-N 3.16Å
3198	L	37.1	Very low	37.5	Very low	128.8 Å²	128.8	132.2 Å²	132.2	67%	0.674	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-100.2	38	165.4	-107.6	118.9	0	0	0	112.8	I3196 D3200 L3201	I3196-L3198 PolarHBondContact O-N 3.11Å; L3198-D3200 HydrophobicContact CD1-CB 4.37Å; L3198-D3200 HydrophobicContact CD2-CB 3.8Å; L3198-D3200 WeakPolarHBondContact CD2-OD2 3.49Å; L3198-D3200 PolarHBondContact O-N 2.99Å; L3198-L3201 HydrophobicContact CD2-CD1 4.25Å; L3198-L3201 PolarHBondContact O-N 2.97Å
3199	D	46.4	Very low	37.5	Very low	153.4 Å²	153.4	135 Å²	135	82%	0.82	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-87.1	16.3	169.4	-79.2	-20.1	0	0	0	111.9	D3197 L3201	D3197-D3199 VanDerWaalsContact C-N 3.33Å; D3197-D3199 PolarHBondContact O-N 2.96Å; D3199-L3201 PolarHBondContact O-N 3.25Å
3200	D	44.5	Very low	37.7	Very low	138.8 Å²	138.8	136.9 Å²	136.9	74%	0.742	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-86.7	17.6	175	-100.8	-17.2	0	0	0	112.5	D3197 L3198 T3202	D3197-D3200 PolarHBondContact O-N 3.16Å; L3198-D3200 HydrophobicContact CD1-CB 4.37Å; L3198-D3200 HydrophobicContact CD2-CB 3.8Å; L3198-D3200 WeakPolarHBondContact CD2-OD2 3.49Å; L3198-D3200 PolarHBondContact O-N 2.99Å; D3200-T3202 VanDerWaalsContact C-N 3.3Å; D3200-T3202 PolarHBondContact O-N 3.12Å
3201	L	39.7	Very low	37.8	Very low	131.8 Å²	131.8	134 Å²	134	69%	0.69	74%	0.737	S	S	*	*			trans	-102.8	90.8	169.7	-75.9	177.1	0	0	0	111.6	L3198 D3199 S3203 E3205	L3198-L3201 HydrophobicContact CD2-CD1 4.25Å; L3198-L3201 PolarHBondContact O-N 2.97Å; D3199-L3201 PolarHBondContact O-N 3.25Å; L3201-S3203 PolarHBondContact O-N 3.03Å; L3201-E3205 HydrophobicContact CD2-CB 4.23Å
3202	T	46.4	Very low	38	Very low	102.6 Å²	102.6	135.1 Å²	135.1	63%	0.629	74%	0.738	S	S	*	*			trans	-54.7	137.8	157.1	52.3	0	0	0	0	113.3	D3200 E3204 E3205 L3206	D3200-T3202 VanDerWaalsContact C-N 3.3Å; D3200-T3202 PolarHBondContact O-N 3.12Å; T3202-E3204 PolarHBondContact O-N 2.93Å; T3202-E3205 PolarHBondContact O-N 3.02Å; T3202-E3205 VanDerWaalsContact O-N 3.09Å; T3202-E3205 PolarHBondContact OG1-OE2 3.09Å; T3202-L3206 PolarHBondContact O-N 2.86Å
3203	S	44.3	Very low	38	Very low	94.2 Å²	94.2	137.3 Å²	137.3	66%	0.659	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	9.1	-177.8	52.5	0	0	0	0	117.2	L3201 E3205 L3206 F3207	L3201-S3203 PolarHBondContact O-N 3.03Å; S3203-E3205 VanDerWaalsContact C-N 3.28Å; S3203-E3205 PolarHBondContact O-N 3.27Å; S3203-L3206 PolarHBondContact O-N 3.11Å; S3203-F3207 VanDerWaalsContact O-CD2 3.26Å; S3203-F3207 WeakPolarHBondContact O-CD2 3.31Å
3204	E	43.4	Very low	37.9	Very low	165.8 Å²	165.8	135.2 Å²	135.2	78%	0.775	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-13.9	167.3	-62.1	-171.7	171.8	0	0	114.6	T3202 L3206 F3207	T3202-E3204 PolarHBondContact O-N 2.93Å; E3204-L3206 VanDerWaalsContact C-N 3.29Å; E3204-L3206 PolarHBondContact O-N 3.32Å; E3204-F3207 HydrophobicContact CB-CD2 4.38Å; E3204-F3207 HydrophobicContact CB-CE2 3.96Å; E3204-F3207 HydrophobicContact CG-CE2 3.79Å; E3204-F3207 HydrophobicContact CG-CZ 4.49Å; E3204-F3207 PolarHBondContact O-N 2.98Å
3205	E	45.2	Very low	38	Very low	153.2 Å²	153.2	138.7 Å²	138.7	72%	0.716	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-64.2	16.2	169.1	-66.8	-164.2	136.7	0	0	114	L3201 T3202 S3203 F3207 A3208 Y3209	L3201-E3205 HydrophobicContact CD2-CB 4.23Å; T3202-E3205 PolarHBondContact O-N 3.02Å; T3202-E3205 VanDerWaalsContact O-N 3.09Å; T3202-E3205 PolarHBondContact OG1-OE2 3.09Å; S3203-E3205 VanDerWaalsContact C-N 3.28Å; S3203-E3205 PolarHBondContact O-N 3.27Å; E3205-F3207 VanDerWaalsContact C-N 3.32Å; E3205-F3207 PolarHBondContact O-N 3.08Å; E3205-A3208 WeakPolarHBondContact O-CB 3.27Å; E3205-A3208 PolarHBondContact O-N 3.17Å; E3205-Y3209 PolarHBondContact O-N 3.04Å
3206	L	40.2	Very low	37.9	Very low	137.6 Å²	137.6	140.1 Å²	140.1	72%	0.72	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-115.6	16.5	148	-79.7	170.8	0	0	0	113	T3202 S3203 E3204 A3208	T3202-L3206 PolarHBondContact O-N 2.86Å; S3203-L3206 PolarHBondContact O-N 3.11Å; E3204-L3206 VanDerWaalsContact C-N 3.29Å; E3204-L3206 PolarHBondContact O-N 3.32Å; L3206-A3208 HydrophobicContact CB-CB 4.45Å; L3206-A3208 HydrophobicContact CD2-CB 4.31Å; L3206-A3208 PolarHBondContact O-N 3.25Å
3207	F	38.5	Very low	37.7	Very low	180.8 Å²	180.8	140.6 Å²	140.6	79%	0.793	74%	0.743	S	S	*	*			trans	-78.3	40	171.3	-71.4	-67.4	0	0	0	115	S3203 E3204 E3205 Y3209	S3203-F3207 VanDerWaalsContact O-CD2 3.26Å; S3203-F3207 WeakPolarHBondContact O-CD2 3.31Å; E3204-F3207 HydrophobicContact CB-CD2 4.38Å; E3204-F3207 HydrophobicContact CB-CE2 3.96Å; E3204-F3207 HydrophobicContact CG-CE2 3.79Å; E3204-F3207 HydrophobicContact CG-CZ 4.49Å; E3204-F3207 PolarHBondContact O-N 2.98Å; E3205-F3207 VanDerWaalsContact C-N 3.32Å; E3205-F3207 PolarHBondContact O-N 3.08Å; F3207-Y3209 VanDerWaalsContact C-N 3.34Å
3208	A	39.4	Very low	37.3	Very low	73.4 Å²	73.4	141 Å²	141	61%	0.607	75%	0.745	S	S	*	*			trans	-99.9	19	167.3	0	0	0	0	0	115.5	E3205 L3206 H3210 G3211	E3205-A3208 WeakPolarHBondContact O-CB 3.27Å; E3205-A3208 PolarHBondContact O-N 3.17Å; L3206-A3208 HydrophobicContact CB-CB 4.45Å; L3206-A3208 HydrophobicContact CD2-CB 4.31Å; L3206-A3208 PolarHBondContact O-N 3.25Å; A3208-H3210 VanDerWaalsContact C-N 3.3Å; A3208-H3210 PolarHBondContact O-N 3.31Å; A3208-G3211 PolarHBondContact O-N 2.66Å; A3208-G3211 VanDerWaalsContact O-N 3.11Å
3209	Y	31.1	Very low	36.9	Very low	213 Å²	213	142.1 Å²	142.1	84%	0.835	75%	0.751	S	S	*	*			trans	-124.9	118.5	161.4	-114.4	-90.7	0	0	0	112.8	E3205 F3207	E3205-Y3209 PolarHBondContact O-N 3.04Å; F3207-Y3209 VanDerWaalsContact C-N 3.34Å
3210	H	35.2	Very low	36	Very low	176.8 Å²	176.8	140.7 Å²	140.7	82%	0.819	75%	0.749	S	S	*	*			trans	-86.1	98.6	167.5	-68.7	-54.8	0	0	0	112.8	A3208	A3208-H3210 VanDerWaalsContact C-N 3.3Å; A3208-H3210 PolarHBondContact O-N 3.31Å
3211	G	31.8	Very low	35.2	Very low	71.6 Å²	71.6	139.3 Å²	139.3	74%	0.738	75%	0.75	S	S	*	*	S	Bend	trans	-145.6	97.2	176.9	0	0	0	0	0	114.9	A3208	A3208-G3211 PolarHBondContact O-N 2.66Å; A3208-G3211 VanDerWaalsContact O-N 3.11Å
3212	Q	33.2	Very low	34.8	Very low	172.8 Å²	172.8	138.8 Å²	138.8	81%	0.807	75%	0.752	S	S	*	*			trans	1.2	104.8	162.4	-67	-172.5	-7.5	0	0	118.3	G3214 Q3215	Q3212-G3214 VanDerWaalsContact C-N 3.25Å; Q3212-G3214 PolarHBondContact O-N 3.12Å; Q3212-Q3215 PolarHBondContact O-N 2.82Å
3213	I	31.5	Very low	33.9	Very low	158.6 Å²	158.6	140.2 Å²	140.2	81%	0.813	76%	0.756	S	S	*	*			trans	-27.6	109.5	151.7	-62.4	172.3	0	0	0	112.9	Q3215	I3213-Q3215 HydrophobicContact CG2-CG 4.31Å
3214	G	29.7	Very low	33.3	Very low	67.2 Å²	67.2	140.7 Å²	140.7	69%	0.693	76%	0.755	S	S	*	*			trans	152	78.2	165	0	0	0	0	0	114.4	Q3212 K3216	Q3212-G3214 VanDerWaalsContact C-N 3.25Å; Q3212-G3214 PolarHBondContact O-N 3.12Å; G3214-K3216 PolarHBondContact O-N 2.88Å
3215	Q	34.9	Very low	32.7	Very low	171.2 Å²	171.2	138.7 Å²	138.7	80%	0.8	75%	0.749	S	S	*	*			trans	-92.2	129.4	141.7	-69.9	-164.4	46.6	0	0	111.4	Q3212 I3213 L3217	Q3212-Q3215 PolarHBondContact O-N 2.82Å; I3213-Q3215 HydrophobicContact CG2-CG 4.31Å; Q3215-L3217 PolarHBondContact O-N 2.76Å
3216	K	30	Very low	32	Very low	180.6 Å²	180.6	137.9 Å²	137.9	79%	0.785	75%	0.75	S	S	*	*			trans	-32.6	105.8	139.7	-161.1	-177.9	-179.6	178.3	0	111.6	G3214 N3218	G3214-K3216 PolarHBondContact O-N 2.88Å; K3216-N3218 PolarHBondContact O-N 2.88Å
3217	L	32.4	Very low	31.7	Very low	155.4 Å²	155.4	138 Å²	138	81%	0.814	75%	0.751	S	S	*	*			trans	-83.4	117.3	167.4	-65.8	173.2	0	0	0	109.8	Q3215 N3219	Q3215-L3217 PolarHBondContact O-N 2.76Å; L3217-N3219 PolarHBondContact O-N 2.87Å
3218	N	28.7	Very low	31.3	Very low	134.2 Å²	134.2	137.1 Å²	137.1	72%	0.718	75%	0.75	S	S	*	*			trans	-45.1	113.4	136.2	-86.5	-19.7	0	0	0	112.6	K3216 T3220	K3216-N3218 PolarHBondContact O-N 2.88Å; N3218-T3220 PolarHBondContact O-N 3.45Å
3219	N	27.6	Very low	31	Very low	150.4 Å²	150.4	138.7 Å²	138.7	80%	0.804	75%	0.753	S	S	*	*			trans	-107.7	123.3	149.5	-77.1	-29.1	0	0	0	112.1	L3217 S3221	L3217-N3219 PolarHBondContact O-N 2.87Å; N3219-S3221 VanDerWaalsContact C-N 3.35Å; N3219-S3221 PolarHBondContact O-N 3.25Å
3220	T	28.9	Very low	30.8	Very low	124.2 Å²	124.2	133.5 Å²	133.5	76%	0.762	75%	0.749	S	S	*	*			trans	-123.3	101.6	160.2	-44.8	0	0	0	0	112.2	N3218 V3222	N3218-T3220 PolarHBondContact O-N 3.45Å; T3220-V3222 HydrophobicContact CG2-CG2 3.91Å; T3220-V3222 PolarHBondContact O-N 2.84Å; T3220-V3222 VanDerWaalsContact O-N 3.09Å
3221	S	28.2	Very low	30.6	Very low	109.4 Å²	109.4	135.2 Å²	135.2	77%	0.765	75%	0.75	S	S	*	*			trans	-72.7	127.1	149.3	69.1	0	0	0	0	113.1	N3219 N3223	N3219-S3221 VanDerWaalsContact C-N 3.35Å; N3219-S3221 PolarHBondContact O-N 3.25Å; S3221-N3223 PolarHBondContact O-N 3.24Å
3222	V	30.3	Very low	30.5	Very low	121 Å²	121	139.1 Å²	139.1	73%	0.733	75%	0.753	S	S	*	*			trans	-40.7	108.7	157.5	-157.1	0	0	0	0	112.5	T3220 T3224	T3220-V3222 HydrophobicContact CG2-CG2 3.91Å; T3220-V3222 PolarHBondContact O-N 2.84Å; T3220-V3222 VanDerWaalsContact O-N 3.09Å; V3222-T3224 VanDerWaalsContact C-N 3.35Å; V3222-T3224 HydrophobicContact CG1-CG2 3.98Å; V3222-T3224 PolarHBondContact O-N 3.03Å
3223	N	27.1	Very low	30.1	Very low	132.8 Å²	132.8	140.5 Å²	140.5	71%	0.71	75%	0.752	S	S	*	*			trans	-106.3	122.9	157.1	-170.2	14.6	0	0	0	113.3	S3221 N3225	S3221-N3223 PolarHBondContact O-N 3.24Å; N3223-N3225 PolarHBondContact O-N 2.92Å; N3223-N3225 VanDerWaalsContact O-N 3.1Å
3224	T	32.5	Very low	30.1	Very low	105.2 Å²	105.2	139.1 Å²	139.1	65%	0.645	75%	0.746	S	S	*	*			trans	-133.1	103	164.7	41.4	0	0	0	0	114.9	V3222 N3226	V3222-T3224 VanDerWaalsContact C-N 3.35Å; V3222-T3224 HydrophobicContact CG1-CG2 3.98Å; V3222-T3224 PolarHBondContact O-N 3.03Å; T3224-N3226 PolarHBondContact O-N 3.15Å
3225	N	29.5	Very low	30.2	Very low	122.4 Å²	122.4	142 Å²	142	66%	0.655	74%	0.744	S	S	*	*			trans	5	110.9	135.7	-69.1	-27.1	0	0	0	114.1	H2793 S2794 N3223	H2793-N3225 WeakPolarHBondContact CB-OD1 3.41Å; S2794-N3225 PolarHBondContact O-ND2 3.28Å; N3223-N3225 PolarHBondContact O-N 2.92Å; N3223-N3225 VanDerWaalsContact O-N 3.1Å
3226	N	31.1	Very low	30	Very low	136.4 Å²	136.4	141.9 Å²	141.9	73%	0.729	74%	0.743	S	S	*	*			trans	-73	111.6	140.8	-69.2	-35.1	0	0	0	113.2	H2793 T3224	H2793-N3226 PolarHBondContact O-ND2 3.13Å; T3224-N3226 PolarHBondContact O-N 3.15Å
3227	N	34.6	Very low	29.9	Very low	139.6 Å²	139.6	140.5 Å²	140.5	75%	0.747	74%	0.74	S	S	*	*			trans	-166.2	135.4	130.6	-79.3	-25.8	0	0	0	110.9
3228	E	29.7	Very low	29.8	Very low	163.2 Å²	163.2	141.3 Å²	141.3	76%	0.763	74%	0.737	S	S	*	*			trans	-100.3	154.7	143.1	-64.1	-168.6	121.8	0	0	112.7
3229	P	34.1	Very low	29.7	Very low	105.8 Å²	105.8	142.4 Å²	142.4	69%	0.687	74%	0.735	S	S	*	*			trans	-127.5	138.2	169.8	35	-21.2	0	0	0	113.9	Y3231	P3229-Y3231 PolarHBondContact O-N 3.15Å
3230	S	27	Very low	29.8	Very low	105.6 Å²	105.6	140.9 Å²	140.9	74%	0.738	73%	0.732	S	S	*	*			trans	-40.9	123.5	162.3	-45.6	0	0	0	0	116.3
3231	Y	30	Very low	29.8	Very low	212.6 Å²	212.6	141.3 Å²	141.3	83%	0.834	73%	0.725	S	S	*	*			trans	-134.5	129.9	147.7	-96.1	-76.7	0	0	0	113.6	H2806 P3229	H2806-Y3231 PolarHBondContact CE1-OH 3.41Å; H2806-Y3231 VanDerWaalsContact CE1-OH 3.3Å; H2806-Y3231 AromaticContact NE2-CE2 3.3Å; H2806-Y3231 VanDerWaalsContact NE2-CE2 3.3Å; H2806-Y3231 WeakPolarHBondContact NE2-CE2 3.23Å; H2806-Y3231 AromaticContact NE2-CZ 3.69Å; H2806-Y3231 PolarHBondContact NE2-OH 2.85Å; P3229-Y3231 PolarHBondContact O-N 3.15Å
3232	L	29	Very low	29.7	Very low	152.8 Å²	152.8	144.2 Å²	144.2	80%	0.8	72%	0.724	S	S	*	*			trans	43.6	126.2	157.1	-68.7	172.3	0	0	0	114.3
3233	Y	26.5	Very low	29.8	Very low	201.2 Å²	201.2	143.7 Å²	143.7	79%	0.789	72%	0.721	S	S	*	*				165.2	139.9	83.4	-153	-118.7	0	0	0	114.1	I3235	Y3233-I3235 HydrophobicContact CD1-CD1 4.44Å; Y3233-I3235 HydrophobicContact CD1-CG1 4.29Å; Y3233-I3235 HydrophobicContact CE1-CD1 3.88Å; Y3233-I3235 HydrophobicContact CE1-CG1 3.7Å; Y3233-I3235 HydrophobicContact CE2-CG1 4.22Å; Y3233-I3235 WeakPolarHBondContact OH-CD1 3.42Å
3234	N	30.1	Very low	29.8	Very low	130.6 Å²	130.6	143.5 Å²	143.5	70%	0.698	72%	0.716	S	S	*	*			trans	-116.7	159.2	168.7	-101.9	-43.5	0	0	0	112	H3236	N3234-H3236 PolarHBondContact O-N 3.15Å
3235	I	31.9	Very low	29.6	Very low	127.8 Å²	127.8	143.8 Å²	143.8	66%	0.655	71%	0.714	S	S	*	*			trans	0.7	116.5	148.3	-59.4	171.9	0	0	0	113.7	Y3233 Q3237	Y3233-I3235 HydrophobicContact CD1-CD1 4.44Å; Y3233-I3235 HydrophobicContact CD1-CG1 4.29Å; Y3233-I3235 HydrophobicContact CE1-CD1 3.88Å; Y3233-I3235 HydrophobicContact CE1-CG1 3.7Å; Y3233-I3235 HydrophobicContact CE2-CG1 4.22Å; Y3233-I3235 WeakPolarHBondContact OH-CD1 3.42Å; I3235-Q3237 HydrophobicContact CG2-CG 4.36Å
3236	H	30.5	Very low	29.9	Very low	168.2 Å²	168.2	143.9 Å²	143.9	78%	0.779	71%	0.714	S	S	*	*			trans	-111.7	140.4	142.2	-96.4	-85.2	0	0	0	114.8	N3234 F3238	N3234-H3236 PolarHBondContact O-N 3.15Å; H3236-F3238 AromaticContact ND1-CD2 3.9Å
3237	Q	29.3	Very low	29.8	Very low	152.2 Å²	152.2	144.7 Å²	144.7	71%	0.711	71%	0.714	S	S	*	*			trans	-115.3	140.3	139.2	-70	-172.8	-2.7	0	0	113.4	I3235	I3235-Q3237 HydrophobicContact CG2-CG 4.36Å
3238	F	28.7	Very low	29.9	Very low	171.8 Å²	171.8	144.5 Å²	144.5	75%	0.754	71%	0.712	S	S	*	*			trans	108	122.4	143.9	-71	-63.3	0	0	0	111.7	H3236	H3236-F3238 AromaticContact ND1-CD2 3.9Å
3239	K	26.7	Very low	30.2	Very low	156.4 Å²	156.4	142.8 Å²	142.8	68%	0.68	71%	0.708	S	S	*	*				169	114.8	57.2	-140.2	178.7	175.8	-178	0	112.2	N3140 R3143 Q3241	N3140-K3239 PolarHBondContact O-NZ 3.09Å; R3143-K3239 HydrophobicContact CG-CB 4.28Å; K3239-Q3241 VanDerWaalsContact CE-CD 3.43Å; K3239-Q3241 HydrophobicContact CG-CG 4.26Å; K3239-Q3241 PolarHBondContact O-N 3.4Å; K3239-Q3241 VanDerWaalsContact O-N 3.13Å
3240	T	29.3	Very low	30.1	Very low	119.4 Å²	119.4	143.6 Å²	143.6	73%	0.733	71%	0.707	S	S	*	*			trans	-80.2	145.3	159.5	46.5	0	0	0	0	112.3	R3143	R3143-T3240 WeakPolarHBondContact CD-O 3.44Å; R3143-T3240 PolarHBondContact NH1-O 3.11Å
3241	Q	29.4	Very low	30.5	Very low	132.6 Å²	132.6	145.8 Å²	145.8	62%	0.62	71%	0.71	S	S	*	*			trans	-120.7	138.2	153.8	-62.8	-99.3	8.8	0	0	113.3	I3142 K3239 T3243	I3142-Q3241 VanDerWaalsContact CG2-CD 3.43Å; I3142-Q3241 HydrophobicContact CG2-CG 4.01Å; K3239-Q3241 VanDerWaalsContact CE-CD 3.43Å; K3239-Q3241 HydrophobicContact CG-CG 4.26Å; K3239-Q3241 PolarHBondContact O-N 3.4Å; K3239-Q3241 VanDerWaalsContact O-N 3.13Å; Q3241-T3243 PolarHBondContact O-N 2.97Å
3242	F	27.6	Very low	30.7	Very low	171 Å²	171	140.6 Å²	140.6	75%	0.75	71%	0.705	S	S	*	*				-84	136.2	81.8	-91.3	-87.9	0	0	0	109.4	R3143 L3353	R3143-F3242 PolarHBondContact NH1-O 3.45Å; F3242-L3353 HydrophobicContact CB-CD2 3.7Å; F3242-L3353 HydrophobicContact CB-CG 4.42Å
3243	T	31.2	Very low	30.9	Very low	109.2 Å²	109.2	141.8 Å²	141.8	67%	0.67	71%	0.706	S	S	*	*				-155.5	133.3	100	10	0	0	0	0	110.4	Q3241 L3353	Q3241-T3243 PolarHBondContact O-N 2.97Å; T3243-L3353 WeakPolarHBondContact O-CD1 3.21Å
3244	Q	27.5	Very low	31.2	Very low	130.2 Å²	130.2	140.4 Å²	140.4	61%	0.608	71%	0.706	S	S	*	*			trans	-18.8	127.2	141.5	-147.1	-172.1	-14.5	0	0	113	D3349 Y3350 L3353	Q3244-D3349 WeakPolarHBondContact CB-O 3.31Å; Q3244-D3349 WeakPolarHBondContact CG-O 3.5Å; Q3244-D3349 PolarHBondContact NE2-O 3.37Å; Q3244-Y3350 HydrophobicContact CB-CD1 4.33Å; Q3244-Y3350 HydrophobicContact CB-CE1 4.21Å; Q3244-Y3350 HydrophobicContact CB-CE2 4.49Å; Q3244-Y3350 HydrophobicContact CG-CD1 3.58Å; Q3244-Y3350 HydrophobicContact CG-CD2 4.37Å; Q3244-Y3350 HydrophobicContact CG-CE1 3.88Å; Q3244-Y3350 HydrophobicContact CG-CG 3.84Å; Q3244-L3353 WeakPolarHBondContact O-CD1 3.26Å
3245	N	28.4	Very low	31.3	Very low	111.2 Å²	111.2	138.2 Å²	138.2	60%	0.595	70%	0.701	S	S	*	*			trans	-179.8	133.7	141.9	-89.2	3.5	0	0	0	109.8	N3131 N3132 Y3350	N3131-N3245 CarbonylContact C-O 3.05Å; N3132-N3245 CarbonylContact C-O 3.54Å; N3132-N3245 PolarHBondContact N-O 3.04Å; N3245-Y3350 PolarHBondContact O-OH 2.65Å
3246	D	34.3	Very low	31.3	Very low	124.4 Å²	124.4	140.3 Å²	140.3	67%	0.665	71%	0.708	S	S	*	*				-174	131.2	97.1	-82.4	-37.2	0	0	0	111.1	N3133 N3134	N3133-D3246 CarbonylContact C-O 3.16Å; N3133-D3246 VanDerWaalsContact C-O 3.26Å; N3133-D3246 WeakPolarHBondContact CA-O 3.3Å; N3133-D3246 PolarHBondContact N-O 3.16Å; N3134-D3246 CarbonylContact C-O 3.33Å; N3134-D3246 VanDerWaalsContact CA-O 3.29Å; N3134-D3246 WeakPolarHBondContact CA-O 3.39Å; N3134-D3246 PolarHBondContact N-O 3.11Å; N3134-D3246 VanDerWaalsContact N-O 3.12Å
3247	E	30.9	Very low	31.2	Very low	152.8 Å²	152.8	141.9 Å²	141.9	71%	0.714	71%	0.707	S	S	*	*			trans	50.2	130.6	145.5	-84.1	-166.5	173	0	0	115.6	N3134 I3135 S3139	N3134-E3247 CarbonylContact C-O 3.29Å; N3134-E3247 WeakPolarHBondContact CA-O 3.03Å; I3135-E3247 PolarHBondContact N-O 3.21Å; S3139-E3247 PolarHBondContact OG-OE1 2.81Å
3248	L	36	Very low	31.2	Very low	135.8 Å²	135.8	141.2 Å²	141.2	71%	0.711	71%	0.707	S	S	*	*			trans	106	117.7	160.4	-62	175.6	0	0	0	116.7	S3137	S3137-L3248 VanDerWaalsContact N-CD2 3.31Å; S3137-L3248 WeakPolarHBondContact O-CD2 3.45Å
3249	N	34.7	Very low	31.2	Very low	128 Å²	128	138.7 Å²	138.7	68%	0.684	71%	0.706	S	S	*	*			trans	-145.2	146.4	140	-160.7	17.9	0	0	0	115.8	I3135 S3136 N3251	I3135-N3249 HydrophobicContact CG1-CB 4.15Å; I3135-N3249 HydrophobicContact CG2-CB 4.4Å; S3136-N3249 WeakPolarHBondContact OG-CB 2.98Å; N3249-N3251 PolarHBondContact O-N 2.91Å
3250	N	32.3	Very low	31.3	Very low	121.4 Å²	121.4	136 Å²	136	65%	0.649	71%	0.707	S	S	*	*			trans	-31	123.6	167	-66.6	-51.5	0	0	0	115.8
3251	N	35.4	Very low	31.4	Very low	152 Å²	152	135.5 Å²	135.5	81%	0.813	71%	0.708	S	S	*	*				155.8	149.3	111.5	-72.8	-37.5	0	0	0	114.3	N3249	N3249-N3251 PolarHBondContact O-N 2.91Å
3252	S	34.4	Very low	31.6	Very low	103 Å²	103	136.5 Å²	136.5	72%	0.72	71%	0.713	S	S	*	*				-161.7	141.1	129.5	-163.8	0	0	0	0	115.4
3253	H	33.3	Very low	31.7	Very low	177.6 Å²	177.6	137.5 Å²	137.5	82%	0.822	71%	0.712	S	S	*	*			trans	-53.4	142.3	165.1	-68.3	-73.7	0	0	0	115.9
3254	H	33.5	Very low	31.8	Very low	173.2 Å²	173.2	139.2 Å²	139.2	80%	0.802	72%	0.716	S	S	*	*			trans	-179.8	128.5	146.6	-145.5	36.1	0	0	0	116.4
3255	S	31.4	Very low	32	Very low	83.6 Å²	83.6	141.8 Å²	141.8	59%	0.585	73%	0.726	S	S	*	*			trans	41	126.7	145.7	-141.2	0	0	0	0	119
3256	Q	32.6	Very low	32.2	Very low	171.6 Å²	171.6	141.9 Å²	141.9	80%	0.802	74%	0.736	S	S	*	*				76.4	137.6	122.8	-76.9	-178.7	51.4	0	0	117.4
3257	R	27.4	Very low	32	Very low	201.6 Å²	201.6	141.7 Å²	141.7	76%	0.761	74%	0.739	S	S	*	*			cis	-155.5	132.9	-7.8	-165.5	-178.7	-178.5	-172.7	0.3	111	T3259	R3257-T3259 HydrophobicContact CG-CG2 3.96Å; R3257-T3259 PolarHBondContact O-OG1 3.5Å; R3257-T3259 VanDerWaalsContact O-OG1 3.09Å
3258	I	29.7	Very low	32.2	Very low	137.6 Å²	137.6	143.4 Å²	143.4	71%	0.706	74%	0.744	S	S	*	*			trans	50.2	131.3	152.4	-52.2	174.2	0	0	0	115.3
3259	T	30.1	Very low	32.1	Very low	120.4 Å²	120.4	144.4 Å²	144.4	74%	0.739	75%	0.75	S	S	*	*			trans	177	127.3	141.1	33.4	0	0	0	0	115	R3257	R3257-T3259 HydrophobicContact CG-CG2 3.96Å; R3257-T3259 PolarHBondContact O-OG1 3.5Å; R3257-T3259 VanDerWaalsContact O-OG1 3.09Å
3260	S	27.8	Very low	32.1	Very low	99.8 Å²	99.8	145.6 Å²	145.6	70%	0.698	76%	0.755	S	S	*	*			trans	-155.7	145	132	51	0	0	0	0	115.7
3261	S	32.5	Very low	32.2	Very low	108 Å²	108	144.9 Å²	144.9	76%	0.755	76%	0.76	S	S	*	*				110.1	97.2	120	65.9	0	0	0	0	114.6	R3263	S3261-R3263 PolarHBondContact O-N 2.81Å
3262	E	31.8	Very low	32.1	Very low	154.2 Å²	154.2	148.5 Å²	148.5	72%	0.721	76%	0.762	S	S	*	*			trans	-157.1	118.5	141.7	-138.5	153.4	-160.1	0	0	114.2
3263	R	30.2	Very low	32.3	Very low	192.6 Å²	192.6	149.4 Å²	149.4	73%	0.727	77%	0.765	S	S	*	*				69.4	115	124.1	-123.2	-165.6	-82.1	131.1	3.4	115.2	S3261 K3265	S3261-R3263 PolarHBondContact O-N 2.81Å; R3263-K3265 PolarHBondContact O-N 2.89Å
3264	D	32.7	Very low	32.7	Very low	143.2 Å²	143.2	146.2 Å²	146.2	77%	0.766	76%	0.763	S	S	*	*			trans	-112.3	151.8	131.4	-80.8	-52.4	0	0	0	115.1
3265	K	31.7	Very low	32.9	Very low	185 Å²	185	145 Å²	145	80%	0.804	76%	0.762	S	S	*	*			trans	-96	135.5	165	-71.9	167.3	-177.4	174	0	112.7	R3263 T3267	R3263-K3265 PolarHBondContact O-N 2.89Å; K3265-T3267 VanDerWaalsContact C-N 3.34Å; K3265-T3267 PolarHBondContact O-N 3.14Å; K3265-T3267 PolarHBondContact O-OG1 2.93Å
3266	S	32.9	Very low	33.6	Very low	114.8 Å²	114.8	146 Å²	146	80%	0.803	77%	0.766	S	S	*	*			trans	-104.2	107.5	139.5	56	0	0	0	0	112.6	K3268	S3266-K3268 PolarHBondContact O-N 2.93Å
3267	T	31.6	Very low	34	Very low	119.8 Å²	119.8	146.7 Å²	146.7	74%	0.735	77%	0.769	S	S	*	*			trans	-79.9	126.9	171.8	14.9	0	0	0	0	112.6	K3265 N3269	K3265-T3267 VanDerWaalsContact C-N 3.34Å; K3265-T3267 PolarHBondContact O-N 3.14Å; K3265-T3267 PolarHBondContact O-OG1 2.93Å; T3267-N3269 PolarHBondContact O-N 3.34Å; T3267-N3269 VanDerWaalsContact O-N 3.11Å
3268	K	35	Very low	34.7	Very low	187.4 Å²	187.4	144.2 Å²	144.2	82%	0.815	77%	0.769	S	S	*	*			trans	-60.2	103.6	150.7	-68.5	173.3	179	175.3	0	112.9	S3266 I3270	S3266-K3268 PolarHBondContact O-N 2.93Å; K3268-I3270 HydrophobicContact CB-CD1 4.5Å; K3268-I3270 HydrophobicContact CB-CG1 4.27Å; K3268-I3270 WeakPolarHBondContact O-CG1 3.16Å; K3268-I3270 PolarHBondContact O-N 2.79Å
3269	N	34	Very low	35.2	Very low	158.4 Å²	158.4	141.1 Å²	141.1	85%	0.847	76%	0.764	S	S	*	*			trans	-60.7	123	145.1	-87.5	-12.7	0	0	0	111.9	T3267 S3271	T3267-N3269 PolarHBondContact O-N 3.34Å; T3267-N3269 VanDerWaalsContact O-N 3.11Å; N3269-S3271 PolarHBondContact O-N 2.88Å; N3269-S3271 VanDerWaalsContact O-N 3.15Å
3270	I	33.8	Very low	36	Very low	151.4 Å²	151.4	141 Å²	141	78%	0.776	77%	0.766	S	S	*	*			trans	-108.5	136.9	172	-48.9	172.6	0	0	0	107	K3268 R3272	K3268-I3270 HydrophobicContact CB-CD1 4.5Å; K3268-I3270 HydrophobicContact CB-CG1 4.27Å; K3268-I3270 WeakPolarHBondContact O-CG1 3.16Å; K3268-I3270 PolarHBondContact O-N 2.79Å; I3270-R3272 PolarHBondContact O-N 3Å; I3270-R3272 VanDerWaalsContact O-N 3.09Å
3271	S	34.8	Very low	36.4	Very low	108.2 Å²	108.2	142.4 Å²	142.4	76%	0.757	77%	0.77	S	S	*	*			trans	-39.5	141.4	160.2	15.6	0	0	0	0	114	N3269	N3269-S3271 PolarHBondContact O-N 2.88Å; N3269-S3271 VanDerWaalsContact O-N 3.15Å
3272	R	34	Very low	36.9	Very low	226.8 Å²	226.8	142.4 Å²	142.4	86%	0.856	77%	0.77	S	S	*	*			trans	-92.3	153.2	156.5	-89.7	174.9	174.3	-169.7	-2	109.1	I3270 S3274	I3270-R3272 PolarHBondContact O-N 3Å; I3270-R3272 VanDerWaalsContact O-N 3.09Å; R3272-S3274 PolarHBondContact O-N 3.07Å
3273	P	38.5	Very low	37.4	Very low	122.4 Å²	122.4	142.7 Å²	142.7	80%	0.795	78%	0.776	S	S	*	*			trans	-79.6	150.4	162.9	25.6	-26.5	0	0	0	112
3274	S	40.8	Very low	37.9	Very low	110.4 Å²	110.4	138.3 Å²	138.3	77%	0.772	77%	0.772	S	S	*	*			trans	-78	134.6	167.9	55.4	0	0	0	0	112.8	R3272	R3272-S3274 PolarHBondContact O-N 3.07Å
3275	L	38.7	Very low	38.1	Very low	148.2 Å²	148.2	137.7 Å²	137.7	78%	0.776	77%	0.769	S	S	*	*			trans	-83	157.9	170.4	-114.2	90.7	0	0	0	110.2	E3277 I3278	L3275-E3277 PolarHBondContact O-N 2.68Å; L3275-I3278 HydrophobicContact CD2-CD1 4.13Å
3276	P	44.4	Very low	38.4	Very low	104.2 Å²	104.2	137.9 Å²	137.9	68%	0.677	77%	0.77	S	S	*	*			trans	-80.3	150.4	-165.6	2	10	0	0	0	113	I3278	P3276-I3278 VanDerWaalsContact C-N 3.3Å; P3276-I3278 PolarHBondContact O-N 2.94Å
3277	E	41.6	Very low	38.6	Very low	187 Å²	187	136.8 Å²	136.8	87%	0.874	76%	0.762	S	S	*	*			trans	-82.5	115.2	171.6	-175.1	179.8	-172.8	0	0	110.2	L3275 A3279	L3275-E3277 PolarHBondContact O-N 2.68Å; E3277-A3279 VanDerWaalsContact C-N 3.32Å; E3277-A3279 PolarHBondContact O-N 2.87Å
3278	I	41.3	Very low	38.9	Very low	148.2 Å²	148.2	135.5 Å²	135.5	76%	0.76	76%	0.758	S	S	*	*			trans	-100	105.6	173.4	-60	178.8	0	0	0	108.6	L3275 P3276 V3281	L3275-I3278 HydrophobicContact CD2-CD1 4.13Å; P3276-I3278 VanDerWaalsContact C-N 3.3Å; P3276-I3278 PolarHBondContact O-N 2.94Å; I3278-V3281 HydrophobicContact CG2-CG2 3.72Å
3279	A	41.7	Very low	39	Very low	71.8 Å²	71.8	134.8 Å²	134.8	59%	0.593	76%	0.757	S	S	*	*			trans	-51.3	158.2	171.9	0	0	0	0	0	111.6	E3277 V3281	E3277-A3279 VanDerWaalsContact C-N 3.32Å; E3277-A3279 PolarHBondContact O-N 2.87Å; A3279-V3281 PolarHBondContact O-N 2.9Å
3280	P	46.1	Very low	39.2	Very low	118.6 Å²	118.6	133 Å²	133	77%	0.77	75%	0.754	S	S	*	*			trans	-89.1	133.6	173.7	29.6	-30.6	0	0	0	113.1	S3282	P3280-S3282 PolarHBondContact O-N 2.96Å; P3280-S3282 PolarHBondContact O-OG 2.78Å
3281	V	37	Very low	39.3	Very low	129.4 Å²	129.4	134.1 Å²	134.1	78%	0.784	76%	0.756	S	S	*	*			trans	-54.6	122.7	170.4	-169.7	0	0	0	0	110.4	I3278 A3279 L3283	I3278-V3281 HydrophobicContact CG2-CG2 3.72Å; A3279-V3281 PolarHBondContact O-N 2.9Å; V3281-L3283 PolarHBondContact O-N 2.98Å
3282	S	42.4	Very low	39.5	Very low	108.2 Å²	108.2	134.4 Å²	134.4	76%	0.757	76%	0.755	S	S	*	*			trans	-94	127.5	173.1	-55.2	0	0	0	0	111.4	P3280	P3280-S3282 PolarHBondContact O-N 2.96Å; P3280-S3282 PolarHBondContact O-OG 2.78Å
3283	L	41.6	Very low	39.5	Very low	161 Å²	161	130.7 Å²	130.7	84%	0.843	75%	0.751	S	S	*	*			trans	-55.8	151.3	167.3	-72.2	170.8	0	0	0	112.8	V3281 D3285	V3281-L3283 PolarHBondContact O-N 2.98Å; L3283-D3285 PolarHBondContact O-N 2.93Å; L3283-D3285 VanDerWaalsContact O-N 3.17Å
3284	P	42.1	Very low	39.3	Very low	99.8 Å²	99.8	133.5 Å²	133.5	65%	0.648	75%	0.753	S	S	*	*			trans	-77.8	149.3	-167.1	1	7.8	0	0	0	113.5	F3286	P3284-F3286 HydrophobicContact CB-CD2 4.37Å; P3284-F3286 HydrophobicContact CB-CE2 4.05Å; P3284-F3286 HydrophobicContact CB-CZ 4.17Å; P3284-F3286 HydrophobicContact CG-CE2 4.45Å; P3284-F3286 VanDerWaalsContact O-CD2 3.27Å; P3284-F3286 WeakPolarHBondContact O-CD2 3.38Å; P3284-F3286 PolarHBondContact O-N 3.03Å
3285	D	36.9	Very low	38.8	Very low	131 Å²	131	136.6 Å²	136.6	70%	0.701	76%	0.758	S	S	*	*			trans	-78	119.2	-179.7	-157.1	-9.7	0	0	0	112.1	L3283 S3287	L3283-D3285 PolarHBondContact O-N 2.93Å; L3283-D3285 VanDerWaalsContact O-N 3.17Å; D3285-S3287 VanDerWaalsContact C-N 3.35Å; D3285-S3287 VanDerWaalsContact CG-OG 3.3Å; D3285-S3287 PolarHBondContact O-N 2.88Å; D3285-S3287 VanDerWaalsContact O-N 3.13Å; D3285-S3287 WeakPolarHBondContact OD1-CA 3.3Å; D3285-S3287 WeakPolarHBondContact OD1-CB 3.34Å; D3285-S3287 PolarHBondContact OD1-N 3.22Å; D3285-S3287 PolarHBondContact OD1-OG 3.15Å; D3285-S3287 PolarHBondContact OD2-OG 3.22Å
3286	F	36.2	Very low	38.6	Very low	188 Å²	188	133.9 Å²	133.9	83%	0.825	76%	0.757	S	S	*	*			trans	-98.7	52.5	178.1	-73.6	-83.1	0	0	0	112.3	P3284 S3288	P3284-F3286 HydrophobicContact CB-CD2 4.37Å; P3284-F3286 HydrophobicContact CB-CE2 4.05Å; P3284-F3286 HydrophobicContact CB-CZ 4.17Å; P3284-F3286 HydrophobicContact CG-CE2 4.45Å; P3284-F3286 VanDerWaalsContact O-CD2 3.27Å; P3284-F3286 WeakPolarHBondContact O-CD2 3.38Å; P3284-F3286 PolarHBondContact O-N 3.03Å; F3286-S3288 PolarHBondContact O-N 3Å; F3286-S3288 VanDerWaalsContact O-N 3.12Å
3287	S	38.5	Very low	38	Very low	91.6 Å²	91.6	135.8 Å²	135.8	64%	0.641	76%	0.761	S	S	*	*			trans	-107.9	57.6	169.1	62.3	0	0	0	0	115.1	D3285 H3289	D3285-S3287 VanDerWaalsContact C-N 3.35Å; D3285-S3287 VanDerWaalsContact CG-OG 3.3Å; D3285-S3287 PolarHBondContact O-N 2.88Å; D3285-S3287 VanDerWaalsContact O-N 3.13Å; D3285-S3287 WeakPolarHBondContact OD1-CA 3.3Å; D3285-S3287 WeakPolarHBondContact OD1-CB 3.34Å; D3285-S3287 PolarHBondContact OD1-N 3.22Å; D3285-S3287 PolarHBondContact OD1-OG 3.15Å; D3285-S3287 PolarHBondContact OD2-OG 3.22Å; S3287-H3289 VanDerWaalsContact C-N 3.27Å; S3287-H3289 PolarHBondContact O-N 3.31Å; S3287-H3289 PolarHBondContact O-ND1 3Å
3288	S	37.7	Very low	37.7	Very low	93.8 Å²	93.8	133.4 Å²	133.4	66%	0.656	75%	0.754	S	S	*	*			trans	-61.3	110.1	157.8	51.1	0	0	0	0	115.4	F3286 P3290	F3286-S3288 PolarHBondContact O-N 3Å; F3286-S3288 VanDerWaalsContact O-N 3.12Å; S3288-P3290 WeakPolarHBondContact O-CD 3.06Å
3289	H	36.1	Very low	37.1	Very low	172.4 Å²	172.4	137.3 Å²	137.3	80%	0.798	76%	0.759	S	S	*	*			trans	-92.1	153.5	136.6	-85	25.6	0	0	0	111.5	S3287 H3291	S3287-H3289 VanDerWaalsContact C-N 3.27Å; S3287-H3289 PolarHBondContact O-N 3.31Å; S3287-H3289 PolarHBondContact O-ND1 3Å; H3289-H3291 PolarHBondContact O-N 3.2Å; H3289-H3291 VanDerWaalsContact O-N 3.13Å
3290	P	38.8	Very low	36.6	Very low	120.6 Å²	120.6	141.1 Å²	141.1	78%	0.783	77%	0.766	S	S	*	*			trans	-93.9	140.1	-132.9	12.8	0.1	0	0	0	112.2	S3288	S3288-P3290 WeakPolarHBondContact O-CD 3.06Å
3291	H	35.8	Very low	36.1	Very low	174.8 Å²	174.8	140.8 Å²	140.8	81%	0.809	76%	0.764	S	S	*	*			trans	-56.1	145.2	159.2	-75.2	-70.8	0	0	0	113	H3289 I3293	H3289-H3291 PolarHBondContact O-N 3.2Å; H3289-H3291 VanDerWaalsContact O-N 3.13Å; H3291-I3293 PolarHBondContact O-N 3.18Å; H3291-I3293 VanDerWaalsContact O-N 3.16Å
3292	P	39.3	Very low	35.7	Very low	115 Å²	115	145 Å²	145	75%	0.747	77%	0.766	S	S	*	*			trans	-101.4	143.2	147	24.4	-16.8	0	0	0	114.1	Q3294	P3292-Q3294 PolarHBondContact O-N 3.43Å; P3292-Q3294 VanDerWaalsContact O-N 3.17Å
3293	I	34	Very low	35.1	Very low	148.6 Å²	148.6	150 Å²	150	76%	0.762	77%	0.77	S	S	*	*			trans	-71.5	131.1	168.2	-70.4	167.1	0	0	0	110.5	H3291 M3295	H3291-I3293 PolarHBondContact O-N 3.18Å; H3291-I3293 VanDerWaalsContact O-N 3.16Å; I3293-M3295 HydrophobicContact CG2-CG 3.79Å; I3293-M3295 HydrophobicContact CG2-SD 4.29Å; I3293-M3295 PolarHBondContact O-N 3.16Å
3294	Q	33.5	Very low	34.4	Very low	181.2 Å²	181.2	147.2 Å²	147.2	85%	0.847	76%	0.764	S	S	*	*			trans	-96.2	129.8	162	-68.5	175.9	-6.1	0	0	111.6	P3292 A3296	P3292-Q3294 PolarHBondContact O-N 3.43Å; P3292-Q3294 VanDerWaalsContact O-N 3.17Å; Q3294-A3296 PolarHBondContact O-N 2.88Å
3295	M	30.9	Very low	33.7	Very low	174.6 Å²	174.6	148 Å²	148	86%	0.86	77%	0.772	S	S	*	*			trans	-123.7	118.1	136.3	-80.3	-175.3	86.2	0	0	112.4	I3293 L3297	I3293-M3295 HydrophobicContact CG2-CG 3.79Å; I3293-M3295 HydrophobicContact CG2-SD 4.29Å; I3293-M3295 PolarHBondContact O-N 3.16Å; M3295-L3297 PolarHBondContact O-N 3.44Å
3296	A	34.4	Very low	33.4	Very low	91.2 Å²	91.2	147.2 Å²	147.2	75%	0.754	78%	0.776	S	S	*	*			trans	52.5	115.3	164.7	0	0	0	0	0	116.1	Q3294 N3298	Q3294-A3296 PolarHBondContact O-N 2.88Å; A3296-N3298 PolarHBondContact O-N 2.87Å
3297	L	31.9	Very low	33.2	Very low	145.4 Å²	145.4	144.2 Å²	144.2	76%	0.761	78%	0.776	S	S	*	*			trans	-95.9	131	145.3	-84	161.5	0	0	0	111.3	M3295	M3295-L3297 PolarHBondContact O-N 3.44Å
3298	N	35	Very low	32.8	Very low	136.4 Å²	136.4	145.8 Å²	145.8	73%	0.729	79%	0.787	S	S	*	*			trans	161.7	122.7	152.6	-89.6	-35.5	0	0	0	117.4	A3296	A3296-N3298 PolarHBondContact O-N 2.87Å
3299	R	30	Very low	32.4	Very low	230.6 Å²	230.6	144.9 Å²	144.9	87%	0.87	79%	0.793	S	S	*	*			trans	47.3	113.9	138.4	-70.7	-179.3	171.6	-161.4	-2.8	117.1
3300	M	30.7	Very low	32.2	Very low	150.2 Å²	150.2	141.8 Å²	141.8	74%	0.74	79%	0.79	S	S	*	*				-79.7	140.4	117.8	-149.3	118.6	68.3	0	0	114.2	W3302	M3300-W3302 HydrophobicContact CG-CG 4.38Å; M3300-W3302 HydrophobicContact SD-CG 4.43Å; M3300-W3302 PolarHBondContact SD-NE1 3.37Å
3301	P	34.8	Very low	31.9	Very low	113.4 Å²	113.4	146.4 Å²	146.4	74%	0.736	79%	0.792	S	S	*	*			trans	-106.8	127.3	172.2	33.5	-24.4	0	0	0	113.2
3302	W	29.3	Very low	31.8	Very low	216.2 Å²	216.2	144.7 Å²	144.7	82%	0.819	79%	0.789	S	S	*	*			trans	-132.5	129.3	167.5	-78.6	81.2	0	0	0	111.8	M3300	M3300-W3302 HydrophobicContact CG-CG 4.38Å; M3300-W3302 HydrophobicContact SD-CG 4.43Å; M3300-W3302 PolarHBondContact SD-NE1 3.37Å
3303	Y	30.5	Very low	31.6	Very low	214.2 Å²	214.2	145 Å²	145	84%	0.84	78%	0.784	S	S	*	*			trans	172.1	122.9	153.3	-82.4	-88.8	0	0	0	114.6	S3305	Y3303-S3305 PolarHBondContact O-N 2.94Å
3304	S	25.4	Very low	31.6	Very low	103 Å²	103	145.3 Å²	145.3	72%	0.72	78%	0.78	S	S	*	*			trans	-34.5	131.3	150.6	14	0	0	0	0	114.7
3305	S	29.2	Very low	31.5	Very low	116 Å²	116	141.9 Å²	141.9	81%	0.811	77%	0.771	S	S	*	*			trans	155.1	127.9	151.8	-75.2	0	0	0	0	115	Y3303	Y3303-S3305 PolarHBondContact O-N 2.94Å
3306	S	29.6	Very low	31.6	Very low	113.8 Å²	113.8	140.4 Å²	140.4	80%	0.796	77%	0.765	S	S	*	*			trans	-97.9	146.6	161.6	-56.8	0	0	0	0	114.6
3307	P	32.5	Very low	31.4	Very low	124.2 Å²	124.2	140.6 Å²	140.6	81%	0.806	76%	0.761	S	S	*	*			trans	-104.2	152.5	162.5	37.5	-31.3	0	0	0	114.5
3308	S	29.5	Very low	31.4	Very low	127 Å²	127	139.6 Å²	139.6	89%	0.888	76%	0.761	S	S	*	*			trans	151.3	135.5	160	146.7	0	0	0	0	113.7
3309	G	30	Very low	31.2	Very low	75 Å²	75	143.5 Å²	143.5	77%	0.773	77%	0.766	S	S	*	*			trans	-165	106	176.7	0	0	0	0	0	114.7
3310	S	31.1	Very low	31.4	Very low	106 Å²	106	137.6 Å²	137.6	74%	0.741	76%	0.757	S	S	*	*			trans	-95.7	123.5	169.5	98	0	0	0	0	113
3311	R	32.3	Very low	31.4	Very low	217.4 Å²	217.4	139.1 Å²	139.1	82%	0.82	76%	0.76	S	S	*	*				160.7	133.5	83.6	-84	-172.3	157.4	131.6	3	111
3312	D	34.6	Very low	31.1	Very low	139 Å²	139	139.3 Å²	139.3	74%	0.743	76%	0.759	S	S	*	*				161.2	132.5	77.1	-71.9	-31.2	0	0	0	110.1
3313	D	34.4	Very low	31.1	Very low	120.8 Å²	120.8	136.4 Å²	136.4	65%	0.646	76%	0.759	S	S	*	*			cis	-146.1	155.5	41.9	-132.3	-18.3	0	0	0	111.3
3314	K	33.6	Very low	31.2	Very low	155.8 Å²	155.8	131.7 Å²	131.7	68%	0.677	75%	0.754	S	S	*	*			trans	33.7	141.6	159.5	-81.2	170.6	-171.8	124.3	0	119.6	I3316	K3314-I3316 HydrophobicContact CD-CD1 4.29Å; K3314-I3316 HydrophobicContact CG-CD1 4.36Å; K3314-I3316 HydrophobicContact CG-CG1 4.38Å
3315	V	32.5	Very low	31.2	Very low	109.6 Å²	109.6	132 Å²	132	66%	0.664	76%	0.757	S	S	*	*				171.8	123.2	94.6	159.6	0	0	0	0	114.6
3316	I	32.2	Very low	31.2	Very low	143.2 Å²	143.2	132.4 Å²	132.4	73%	0.734	75%	0.754	S	S	*	*			trans	61	115.1	131.6	-59.3	174.8	0	0	0	115.9	K3314	K3314-I3316 HydrophobicContact CD-CD1 4.29Å; K3314-I3316 HydrophobicContact CG-CD1 4.36Å; K3314-I3316 HydrophobicContact CG-CG1 4.38Å
3317	S	29.7	Very low	31.2	Very low	95 Å²	95	133.5 Å²	133.5	66%	0.664	76%	0.755	S	S	*	*				62	141.9	117.2	-160.3	0	0	0	0	115.9
3318	T	33.3	Very low	31	Very low	124.2 Å²	124.2	134.6 Å²	134.6	76%	0.762	75%	0.753	S	S	*	*				-150.6	146.8	58.4	5.5	0	0	0	0	112
3319	R	29	Very low	30.8	Very low	219 Å²	219	133.7 Å²	133.7	83%	0.826	75%	0.747	S	S	*	*			trans	-52.2	173.6	166.7	-71.8	178.8	176.3	-151.3	-0.7	113.3
3320	P	36.1	Very low	30.7	Very low	105.8 Å²	105.8	134.9 Å²	134.9	69%	0.687	74%	0.743	S	S	*	*			cis	-122.7	179.8	-21	31.4	-15.3	0	0	0	115.2
3321	F	29.4	Very low	30.5	Very low	182 Å²	182	137.1 Å²	137.1	80%	0.798	75%	0.745	S	S	*	*			trans	-80.7	124.1	164	-88.3	-101.1	0	0	0	112.4	L3323	F3321-L3323 HydrophobicContact CD1-CD1 4.01Å; F3321-L3323 HydrophobicContact CD1-CG 4.25Å; F3321-L3323 HydrophobicContact CE1-CD1 4.17Å
3322	V	30	Very low	30.4	Very low	118 Å²	118	133.5 Å²	133.5	72%	0.715	74%	0.741	S	S	*	*				103.8	110.8	86.4	167	0	0	0	0	113.2
3323	L	28.8	Very low	30.1	Very low	155.6 Å²	155.6	132.3 Å²	132.3	82%	0.815	74%	0.739	S	S	*	*			trans	-78.4	149.1	155.4	-71.6	172.4	0	0	0	114	F3321 S3325	F3321-L3323 HydrophobicContact CD1-CD1 4.01Å; F3321-L3323 HydrophobicContact CD1-CG 4.25Å; F3321-L3323 HydrophobicContact CE1-CD1 4.17Å; L3323-S3325 PolarHBondContact O-N 2.84Å
3324	P	32.5	Very low	29.7	Very low	115.2 Å²	115.2	133 Å²	133	75%	0.748	74%	0.743	S	S	*	*			trans	-99.4	160.2	-178.7	14.5	-0.1	0	0	0	112.6	T3326	P3324-T3326 PolarHBondContact O-N 3.39Å
3325	S	25.5	Very low	29.5	Very low	110.2 Å²	110.2	133.1 Å²	133.1	77%	0.771	74%	0.743	S	S	*	*			trans	-150.6	131.3	175	-53.1	0	0	0	0	113.3	L3323	L3323-S3325 PolarHBondContact O-N 2.84Å
3326	T	28.4	Very low	29.5	Very low	124 Å²	124	134.1 Å²	134.1	76%	0.761	74%	0.744	S	S	*	*			trans	40.4	127.6	143.4	53.9	0	0	0	0	114.7	P3324	P3324-T3326 PolarHBondContact O-N 3.39Å
3327	V	30.7	Very low	29.6	Very low	135.6 Å²	135.6	135.1 Å²	135.1	82%	0.822	75%	0.746	S	S	*	*				-148	128.1	97.6	-154	0	0	0	0	110.8
3328	I	27.2	Very low	29.6	Very low	149.2 Å²	149.2	138.3 Å²	138.3	77%	0.765	75%	0.75	S	S	*	*			trans	-139.3	123.4	140.9	-62.5	173.2	0	0	0	112.3
3329	S	25.3	Very low	29.6	Very low	106.4 Å²	106.4	140.1 Å²	140.1	74%	0.744	75%	0.75	S	S	*	*			trans	85.5	110.8	134	-60.7	0	0	0	0	119
3330	S	27.4	Very low	30	Very low	101 Å²	101	136.9 Å²	136.9	71%	0.706	75%	0.749	S	S	*	*			trans	-148	117.8	140.6	40.4	0	0	0	0	113.3	I3332	S3330-I3332 PolarHBondContact O-N 2.78Å
3331	I	27.2	Very low	29.9	Very low	151.4 Å²	151.4	139.2 Å²	139.2	78%	0.776	75%	0.753	S	S	*	*			trans	-137.9	112.8	137.6	-76.4	164.6	0	0	0	111.2
3332	I	30.7	Very low	30.2	Very low	143.4 Å²	143.4	137.2 Å²	137.2	74%	0.735	75%	0.751	S	S	*	*			trans	174.2	106.8	153.8	-61.2	174.3	0	0	0	111.7	S3330	S3330-I3332 PolarHBondContact O-N 2.78Å
3333	T	27.8	Very low	30.3	Very low	113.8 Å²	113.8	142.1 Å²	142.1	70%	0.698	76%	0.757	S	S	*	*				86.6	127	91.4	-34.2	0	0	0	0	115.4
3334	N	27.1	Very low	30.8	Very low	135.6 Å²	135.6	142.9 Å²	142.9	73%	0.725	76%	0.758	S	S	*	*				-153.3	153.3	97.8	-143.4	-15.1	0	0	0	114.4
3335	K	29.7	Very low	31	Very low	157.6 Å²	157.6	142.9 Å²	142.9	69%	0.685	75%	0.752	S	S	*	*			trans	47.2	125.2	153.4	-84.9	168.8	-174.7	179.7	0	117.2
3336	N	31.3	Very low	31.6	Very low	129 Å²	129	145.4 Å²	145.4	69%	0.69	76%	0.756	S	S	*	*				94.6	124.2	115.7	-74.7	-3.2	0	0	0	116.3
3337	Q	33.6	Very low	31.9	Very low	165 Å²	165	143.5 Å²	143.5	77%	0.771	75%	0.748	S	S	*	*				-140.5	138.3	126.7	-76.7	-176.8	-14.8	0	0	114.2
3338	H	31.5	Very low	32.3	Very low	162 Å²	162	141.3 Å²	141.3	75%	0.75	74%	0.738	S	S	*	*				-133	155.1	125.9	-89.1	-72.6	0	0	0	111.4
3339	Q	33.3	Very low	32.9	Very low	162 Å²	162	140.6 Å²	140.6	76%	0.757	74%	0.736	S	S	*	*			trans	-179.6	147.2	156.1	-76.4	171.8	8.4	0	0	113.3	I3341	Q3339-I3341 PolarHBondContact O-N 2.9Å
3340	L	35.7	Very low	33.3	Very low	152.8 Å²	152.8	145.4 Å²	145.4	80%	0.8	74%	0.739	S	S	*	*			trans	20.9	134.4	148.5	-75.9	161.3	0	0	0	114.1	D3342	L3340-D3342 VanDerWaalsContact C-N 3.3Å; L3340-D3342 PolarHBondContact O-N 3.02Å; L3340-D3342 VanDerWaalsContact O-N 3.16Å
3341	I	34.7	Very low	33.9	Very low	152.8 Å²	152.8	146.9 Å²	146.9	78%	0.784	74%	0.74	S	S	*	*			trans	-114.3	113	150.2	-76.8	159.8	0	0	0	108.6	Q3339	Q3339-I3341 PolarHBondContact O-N 2.9Å
3342	D	35.1	Very low	34.4	Very low	140.8 Å²	140.8	146.1 Å²	146.1	75%	0.753	74%	0.737	S	S	*	*			trans	17.1	139.9	146.5	-71	-29.2	0	0	0	116.4	L3340 M3344	L3340-D3342 VanDerWaalsContact C-N 3.3Å; L3340-D3342 PolarHBondContact O-N 3.02Å; L3340-D3342 VanDerWaalsContact O-N 3.16Å; D3342-M3344 PolarHBondContact O-N 3.25Å
3343	R	33.3	Very low	34.6	Very low	220.4 Å²	220.4	146.4 Å²	146.4	83%	0.832	74%	0.739	S	S	*	*			trans	-78.7	130.7	174.3	-73.6	174.5	-175.8	-171.8	-2.1	109.2	D3345	R3343-D3345 PolarHBondContact O-N 3.11Å
3344	M	38.1	Very low	34.7	Very low	171.8 Å²	171.8	150.4 Å²	150.4	85%	0.846	74%	0.743	S	S	*	*			trans	-61	119.8	152.5	-115.7	177.9	-73.2	0	0	110.3	D3342 L3346	D3342-M3344 PolarHBondContact O-N 3.25Å; M3344-L3346 PolarHBondContact O-N 3.27Å
3345	D	37	Very low	35.1	Very low	117 Å²	117	149.8 Å²	149.8	63%	0.626	75%	0.746	S	S	*	*			trans	-74.7	133.9	175.5	-149.2	-20.6	0	0	0	110	R3343 S3347	R3343-D3345 PolarHBondContact O-N 3.11Å; D3345-S3347 PolarHBondContact O-N 3.22Å; D3345-S3347 VanDerWaalsContact O-N 3.09Å; D3345-S3347 WeakPolarHBondContact OD1-CB 3.37Å; D3345-S3347 PolarHBondContact OD1-N 3.11Å; D3345-S3347 PolarHBondContact OD1-OG 3.02Å; D3345-S3347 PolarHBondContact OD2-OG 2.98Å
3346	L	38.6	Very low	35.1	Very low	161.8 Å²	161.8	148.7 Å²	148.7	85%	0.847	75%	0.748	S	S	*	*			trans	-109.8	52.9	178.5	-66.1	176.9	0	0	0	112.4	M3344 S3348	M3344-L3346 PolarHBondContact O-N 3.27Å; L3346-S3348 PolarHBondContact O-N 3.1Å
3347	S	35.5	Very low	35.2	Very low	83.8 Å²	83.8	147.3 Å²	147.3	59%	0.586	75%	0.748	S	S	*	*			trans	-103.6	88.3	170.8	62.5	0	0	0	0	111.3	D3345	D3345-S3347 PolarHBondContact O-N 3.22Å; D3345-S3347 VanDerWaalsContact O-N 3.09Å; D3345-S3347 WeakPolarHBondContact OD1-CB 3.37Å; D3345-S3347 PolarHBondContact OD1-N 3.11Å; D3345-S3347 PolarHBondContact OD1-OG 3.02Å; D3345-S3347 PolarHBondContact OD2-OG 2.98Å
3348	S	38.1	Very low	35	Very low	89.2 Å²	89.2	149.6 Å²	149.6	62%	0.624	76%	0.756	S	S	*	*			trans	-156.3	88.4	-179.9	46.1	0	0	0	0	113.6	L3346	L3346-S3348 PolarHBondContact O-N 3.1Å
3349	D	40	Very low	35	Very low	135.4 Å²	135.4	150.5 Å²	150.5	72%	0.724	76%	0.76	S	S	*	*	S	Bend	trans	-144.3	25.5	153.7	-94	-28.9	0	0	0	113.6	Q3244 D3351	Q3244-D3349 WeakPolarHBondContact CB-O 3.31Å; Q3244-D3349 WeakPolarHBondContact CG-O 3.5Å; Q3244-D3349 PolarHBondContact NE2-O 3.37Å; D3349-D3351 PolarHBondContact O-N 2.88Å
3350	Y	33.3	Very low	34.9	Very low	207.2 Å²	207.2	147.9 Å²	147.9	81%	0.813	76%	0.76	S	S	*	*	S	Bend	trans	-105.8	70.5	161.1	-85.6	-82.7	0	0	0	113.9	Q3244 N3245	Q3244-Y3350 HydrophobicContact CB-CD1 4.33Å; Q3244-Y3350 HydrophobicContact CB-CE1 4.21Å; Q3244-Y3350 HydrophobicContact CB-CE2 4.49Å; Q3244-Y3350 HydrophobicContact CG-CD1 3.58Å; Q3244-Y3350 HydrophobicContact CG-CD2 4.37Å; Q3244-Y3350 HydrophobicContact CG-CE1 3.88Å; Q3244-Y3350 HydrophobicContact CG-CG 3.84Å; N3245-Y3350 PolarHBondContact O-OH 2.65Å
3351	D	40.1	Very low	34.7	Very low	132.6 Å²	132.6	146.2 Å²	146.2	71%	0.709	76%	0.758	S	S	*	*			trans	-149.3	106.2	144.4	-123.2	-14.1	0	0	0	111.4	D3349 L3353	D3349-D3351 PolarHBondContact O-N 2.88Å; D3351-L3353 PolarHBondContact O-N 3.5Å
3352	N	37.6	Very low	34.5	Very low	134 Å²	134	145.9 Å²	145.9	72%	0.717	76%	0.758	S	S	*	*			trans	-142.3	51.1	177.1	-79.5	-71.3	0	0	0	115.8	Y3354	N3352-Y3354 PolarHBondContact O-N 2.89Å
3353	L	34.3	Very low	34.2	Very low	149.8 Å²	149.8	145.7 Å²	145.7	78%	0.784	76%	0.757	S	S	*	*			trans	-121.2	72.1	152.7	-82.6	-175.6	0	0	0	113.3	F3242 T3243 Q3244 D3351	F3242-L3353 HydrophobicContact CB-CD2 3.7Å; F3242-L3353 HydrophobicContact CB-CG 4.42Å; T3243-L3353 WeakPolarHBondContact O-CD1 3.21Å; Q3244-L3353 WeakPolarHBondContact O-CD1 3.26Å; D3351-L3353 PolarHBondContact O-N 3.5Å
3354	Y	31.6	Very low	34.2	Very low	198.2 Å²	198.2	144.2 Å²	144.2	78%	0.777	76%	0.756	S	S	*	*			trans	-105.2	130.3	158.8	-96.4	-90.3	0	0	0	111.4	N3352 N3356	N3352-Y3354 PolarHBondContact O-N 2.89Å; Y3354-N3356 HydrophobicContact CD1-CB 4.43Å; Y3354-N3356 HydrophobicContact CE1-CB 4.08Å; Y3354-N3356 VanDerWaalsContact CE1-ND2 3.32Å; Y3354-N3356 WeakPolarHBondContact CE1-ND2 3.33Å; Y3354-N3356 PolarHBondContact O-N 2.95Å; Y3354-N3356 PolarHBondContact O-ND2 3.03Å; Y3354-N3356 PolarHBondContact OH-ND2 3.38Å
3355	P	34.2	Very low	33.8	Very low	121.8 Å²	121.8	146.2 Å²	146.2	79%	0.791	76%	0.756	S	S	*	*				-96.3	125.8	129.8	32.9	-26.8	0	0	0	112.8	S3357	P3355-S3357 PolarHBondContact O-N 3.37Å
3356	N	30.9	Very low	33.4	Very low	136 Å²	136	150 Å²	150	73%	0.727	76%	0.763	S	S	*	*			trans	-62.3	128.8	155.6	-98.3	-39.7	0	0	0	113.1	Y3354	Y3354-N3356 HydrophobicContact CD1-CB 4.43Å; Y3354-N3356 HydrophobicContact CE1-CB 4.08Å; Y3354-N3356 VanDerWaalsContact CE1-ND2 3.32Å; Y3354-N3356 WeakPolarHBondContact CE1-ND2 3.33Å; Y3354-N3356 PolarHBondContact O-N 2.95Å; Y3354-N3356 PolarHBondContact O-ND2 3.03Å; Y3354-N3356 PolarHBondContact OH-ND2 3.38Å
3357	S	31.7	Very low	33.1	Very low	98.2 Å²	98.2	147.4 Å²	147.4	69%	0.687	76%	0.756	S	S	*	*			trans	108.2	88.2	154.3	-65.2	0	0	0	0	117.3	P3355 Q3359	P3355-S3357 PolarHBondContact O-N 3.37Å; S3357-Q3359 VanDerWaalsContact C-N 3.25Å; S3357-Q3359 PolarHBondContact O-N 3.1Å; S3357-Q3359 VanDerWaalsContact O-N 3.09Å
3358	F	30.9	Very low	33.1	Very low	214.2 Å²	214.2	150.4 Å²	150.4	94%	0.939	77%	0.766	S	S	*	*				-106.7	121.3	128	-85.9	-80.9	0	0	0	110.1
3359	Q	31.3	Very low	32.7	Very low	179.8 Å²	179.8	151.6 Å²	151.6	84%	0.84	77%	0.772	S	S	*	*			trans	-168.1	108	155.5	-140.7	158.2	33.3	0	0	113.3	S3357	S3357-Q3359 VanDerWaalsContact C-N 3.25Å; S3357-Q3359 PolarHBondContact O-N 3.1Å; S3357-Q3359 VanDerWaalsContact O-N 3.09Å
3360	S	30	Very low	32.2	Very low	107.8 Å²	107.8	152.3 Å²	152.3	75%	0.754	78%	0.776	S	S	*	*			trans	-98.3	129.6	164.9	-92.6	0	0	0	0	112.9	N3362	S3360-N3362 VanDerWaalsContact C-N 3.31Å; S3360-N3362 PolarHBondContact O-N 3.1Å
3361	P	32.4	Very low	32.2	Very low	117.4 Å²	117.4	149.7 Å²	149.7	76%	0.762	78%	0.775	S	S	*	*			trans	-93.6	127.7	163.3	34.2	-31.1	0	0	0	113.3
3362	N	30.7	Very low	31.7	Very low	146.4 Å²	146.4	152.3 Å²	152.3	78%	0.783	78%	0.784	S	S	*	*			trans	-156.1	98.5	159.2	-105.8	-27.1	0	0	0	113.3	S3360	S3360-N3362 VanDerWaalsContact C-N 3.31Å; S3360-N3362 PolarHBondContact O-N 3.1Å
3363	N	29.3	Very low	31.4	Very low	137.6 Å²	137.6	150.4 Å²	150.4	74%	0.736	79%	0.787	S	S	*	*			trans	151.6	115.1	132.2	-116	-25.1	0	0	0	112.6
3364	K	33	Very low	31.2	Very low	187.2 Å²	187.2	148.6 Å²	148.6	81%	0.814	79%	0.786	S	S	*	*			trans	100.1	102.9	141	-74	176.2	-177.6	175.6	0	114.2	Y3366	K3364-Y3366 HydrophobicContact CB-CD2 4.37Å
3365	Y	28.9	Very low	31.1	Very low	213.8 Å²	213.8	146 Å²	146	84%	0.838	79%	0.786	S	S	*	*			trans	-121.6	128.1	141.6	-112.4	-99.2	0	0	0	111
3366	Y	28.7	Very low	30.8	Very low	198.4 Å²	198.4	150.7 Å²	150.7	78%	0.778	79%	0.788	S	S	*	*			trans	10.2	133.7	146.4	-94	-103.2	0	0	0	115.5	K3364	K3364-Y3366 HydrophobicContact CB-CD2 4.37Å
3367	P	33.3	Very low	30.9	Very low	107.4 Å²	107.4	150.9 Å²	150.9	70%	0.697	79%	0.788	S	S	*	*			trans	-93.8	151.6	152.1	35.7	-28.7	0	0	0	111.4	C3369	P3367-C3369 VanDerWaalsContact C-N 3.32Å; P3367-C3369 PolarHBondContact O-N 3.42Å; P3367-C3369 VanDerWaalsContact O-N 3.09Å
3368	D	34	Very low	30.8	Very low	146.2 Å²	146.2	152.4 Å²	152.4	78%	0.782	79%	0.788	S	S	*	*			trans	-114.8	119.4	157.7	-97.5	-39.4	0	0	0	113.9	N3370	D3368-N3370 PolarHBondContact O-N 3.02Å
3369	C	29.7	Very low	30.9	Very low	113.8 Å²	113.8	148.2 Å²	148.2	77%	0.769	78%	0.775	S	S	*	*			trans	-120.1	113.4	163.9	-78.4	0	0	0	0	113.3	P3367 L3371	P3367-C3369 VanDerWaalsContact C-N 3.32Å; P3367-C3369 PolarHBondContact O-N 3.42Å; P3367-C3369 VanDerWaalsContact O-N 3.09Å; C3369-L3371 VanDerWaalsContact C-N 3.3Å; C3369-L3371 PolarHBondContact O-N 3.1Å
3370	N	30.9	Very low	30.8	Very low	151.2 Å²	151.2	146.3 Å²	146.3	81%	0.809	77%	0.771	S	S	*	*			trans	-30.1	119.5	165.7	-97.9	-44.5	0	0	0	117.7	D3368 Q3372	D3368-N3370 PolarHBondContact O-N 3.02Å; N3370-Q3372 PolarHBondContact O-N 2.75Å
3371	L	32.3	Very low	30.9	Very low	151 Å²	151	147.6 Å²	147.6	79%	0.791	77%	0.769	S	S	*	*			trans	43.8	119.8	147.9	-73.3	171.5	0	0	0	116.9	C3369 A3373	C3369-L3371 VanDerWaalsContact C-N 3.3Å; C3369-L3371 PolarHBondContact O-N 3.1Å; L3371-A3373 PolarHBondContact O-N 2.8Å
3372	Q	29.4	Very low	31	Very low	188.4 Å²	188.4	150.3 Å²	150.3	88%	0.88	77%	0.769	S	S	*	*			trans	6.3	109.5	160.3	-82	177.5	12.9	0	0	117	N3370	N3370-Q3372 PolarHBondContact O-N 2.75Å
3373	A	31	Very low	31	Very low	94.8 Å²	94.8	151.1 Å²	151.1	78%	0.783	77%	0.768	S	S	*	*			trans	-130.5	126.3	150.9	0	0	0	0	0	114.4	L3371 N3375	L3371-A3373 PolarHBondContact O-N 2.8Å; A3373-N3375 PolarHBondContact O-N 2.78Å
3374	S	31.5	Very low	31.1	Very low	111.2 Å²	111.2	149.7 Å²	149.7	78%	0.778	77%	0.769	S	S	*	*			trans	-105.6	140.5	152.7	-79.2	0	0	0	0	116.2
3375	N	28.8	Very low	31.1	Very low	143.6 Å²	143.6	145.8 Å²	145.8	77%	0.768	77%	0.765	S	S	*	*			trans	56.7	131.9	144.9	-87.8	-56.4	0	0	0	117.3	A3373	A3373-N3375 PolarHBondContact O-N 2.78Å
3376	R	27.8	Very low	31.2	Very low	219.4 Å²	219.4	141.2 Å²	141.2	83%	0.828	76%	0.76	S	S	*	*			trans	84.9	131.1	130.3	-84.4	-179	176.8	-167.6	-1	117.8
3377	I	34	Very low	31.4	Very low	141.6 Å²	141.6	139.1 Å²	139.1	73%	0.726	76%	0.761	S	S	*	*				120.5	112.3	121.6	-77.3	157.4	0	0	0	114.5
3378	N	29	Very low	31.3	Very low	128.6 Å²	128.6	142 Å²	142	69%	0.688	77%	0.765	S	S	*	*			trans	67.2	114.9	136.2	-103	7.1	0	0	0	121
3379	N	31.7	Very low	31	Very low	126.6 Å²	126.6	145.3 Å²	145.3	68%	0.677	77%	0.767	S	S	*	*				69.9	115.1	122.4	-67.4	-9.3	0	0	0	119.9
3380	N	30.5	Very low	31	Very low	140.2 Å²	140.2	145.2 Å²	145.2	75%	0.75	76%	0.763	S	S	*	*				56.9	124.7	113.9	-72.1	-20.7	0	0	0	116.5	K3382	N3380-K3382 PolarHBondContact O-N 2.96Å
3381	N	31.9	Very low	31	Very low	134.4 Å²	134.4	143.7 Å²	143.7	72%	0.719	76%	0.759	S	S	*	*			trans	107.6	145.9	132	-99.2	-21.6	0	0	0	116.1	H3383	N3381-H3383 VanDerWaalsContact CB-CD2 3.5Å; N3381-H3383 WeakPolarHBondContact CB-CD2 3.37Å; N3381-H3383 PolarHBondContact ND2-NE2 2.89Å; N3381-H3383 PolarHBondContact O-N 3.5Å
3382	K	34	Very low	30.9	Very low	175.4 Å²	175.4	140.4 Å²	140.4	76%	0.763	75%	0.753	S	S	*	*			trans	-156.2	120	159.4	-77.9	166.4	-179.3	-178.6	0	114.6	N3380 S3384	N3380-K3382 PolarHBondContact O-N 2.96Å; K3382-S3384 PolarHBondContact O-N 3.45Å
3383	H	31	Very low	31	Very low	162.8 Å²	162.8	138 Å²	138	75%	0.754	75%	0.747	S	S	*	*			trans	16.9	127.1	144.9	-70.1	-63.8	0	0	0	116.5	N3381 S3385	N3381-H3383 VanDerWaalsContact CB-CD2 3.5Å; N3381-H3383 WeakPolarHBondContact CB-CD2 3.37Å; N3381-H3383 PolarHBondContact ND2-NE2 2.89Å; N3381-H3383 PolarHBondContact O-N 3.5Å; H3383-S3385 PolarHBondContact O-N 2.89Å
3384	S	30.9	Very low	31	Very low	108.6 Å²	108.6	140.8 Å²	140.8	76%	0.759	74%	0.744	S	S	*	*				-155.8	136.6	114.5	-152.7	0	0	0	0	112.6	K3382	K3382-S3384 PolarHBondContact O-N 3.45Å
3385	S	33.8	Very low	30.9	Very low	104.8 Å²	104.8	142.3 Å²	142.3	73%	0.733	74%	0.741	S	S	*	*			trans	-111.5	112.5	159.3	52.7	0	0	0	0	114.7	H3383 L3387	H3383-S3385 PolarHBondContact O-N 2.89Å; S3385-L3387 PolarHBondContact O-N 3.01Å
3386	T	31.1	Very low	30.9	Very low	117.2 Å²	117.2	141.4 Å²	141.4	72%	0.719	74%	0.741	S	S	*	*			trans	-82.3	126.3	166.7	-13	0	0	0	0	113.4	Q3388	T3386-Q3388 HydrophobicContact CG2-CB 4.03Å; T3386-Q3388 HydrophobicContact CG2-CG 4.24Å; T3386-Q3388 PolarHBondContact O-N 3.46Å
3387	L	32	Very low	30.9	Very low	154.2 Å²	154.2	135 Å²	135	81%	0.807	74%	0.735	S	S	*	*			trans	146.6	133	155	-70.8	152.9	0	0	0	113.8	S3385	S3385-L3387 PolarHBondContact O-N 3.01Å
3388	Q	31.5	Very low	30.7	Very low	168 Å²	168	134.1 Å²	134.1	79%	0.785	74%	0.736	S	S	*	*				66.7	127.1	96.3	-69.6	-172.8	2	0	0	113.7	T3386 T3390	T3386-Q3388 HydrophobicContact CG2-CB 4.03Å; T3386-Q3388 HydrophobicContact CG2-CG 4.24Å; T3386-Q3388 PolarHBondContact O-N 3.46Å; Q3388-T3390 HydrophobicContact CB-CG2 3.81Å; Q3388-T3390 HydrophobicContact CG-CG2 3.66Å
3389	R	27.7	Very low	30.6	Very low	216.2 Å²	216.2	132.7 Å²	132.7	82%	0.816	74%	0.737	S	S	*	*				176.1	121.2	74.6	-167.4	-174.1	-158.7	-147.9	-2.6	111.6
3390	T	31	Very low	30.6	Very low	111.6 Å²	111.6	131.2 Å²	131.2	69%	0.685	74%	0.736	S	S	*	*			trans	87.7	130.5	142.5	52.2	0	0	0	0	112.5	Q3388	Q3388-T3390 HydrophobicContact CB-CG2 3.81Å; Q3388-T3390 HydrophobicContact CG-CG2 3.66Å
3391	T	31	Very low	30.7	Very low	119.2 Å²	119.2	131.5 Å²	131.5	73%	0.731	74%	0.738	S	S	*	*			cis	170.4	142.2	33.8	22.8	0	0	0	0	111.7
3392	A	28.5	Very low	30.7	Very low	81.2 Å²	81.2	131.2 Å²	131.2	67%	0.671	74%	0.741	S	S	*	*			trans	58	135.4	133.1	0	0	0	0	0	118.7
3393	N	33.2	Very low	30.6	Very low	138 Å²	138	127.8 Å²	127.8	74%	0.738	74%	0.74	S	S	*	*				157.3	157.6	108	-79.3	0.8	0	0	0	113.5
3394	E	29.4	Very low	30.7	Very low	155 Å²	155	124.6 Å²	124.6	72%	0.724	74%	0.735	S	S	*	*			cis	168.5	133.5	3.4	-111.9	175.2	152.8	0	0	111.6
3395	I	29.5	Very low	30.7	Very low	141.6 Å²	141.6	125.4 Å²	125.4	73%	0.726	74%	0.736	S	S	*	*				38.5	127.5	120.8	-47.1	170.9	0	0	0	113.9
3396	T	28.9	Very low	30.5	Very low	124.8 Å²	124.8	124.6 Å²	124.6	77%	0.766	74%	0.736	S	S	*	*			trans	118	110.8	142.1	-40.8	0	0	0	0	115.3
3397	A	28.1	Very low	30.5	Very low	84.6 Å²	84.6	123.4 Å²	123.4	70%	0.699	74%	0.737	S	S	*	*			trans	-65.9	164.6	148.3	0	0	0	0	0	114.5
3398	T	29.3	Very low	30.5	Very low	123.4 Å²	123.4	122.3 Å²	122.3	76%	0.757	74%	0.737	S	S	*	*				-160	140.7	119.2	-17.7	0	0	0	0	112.4
3399	S	28.3	Very low	30.5	Very low	99.8 Å²	99.8	120.7 Å²	120.7	70%	0.698	74%	0.738	S	S	*	*			trans	28.5	124.8	154.2	56.8	0	0	0	0	119
3400	S	31.1	Very low	30.6	Very low	95 Å²	95	113.7 Å²	113.7	66%	0.664	73%	0.734	S	S	*	*				113.8	140.5	90.3	58.4	0	0	0	0	116.3
3401	N	31.6	Very low	30.8	Very low	146 Å²	146	119.6 Å²	119.6	78%	0.781	74%	0.744	S	S	*	*				98.1	125.5	127.5	-65.5	-7.8	0	0	0	116
3402	T	33.3	Very low	31.1	Very low	127.5 Å²	127.5	119.7 Å²	119.7	78%	0.782	75%	0.746	S	S	*	*			trans	61.6	134	139.1	54.9	0	0	0	0	116.4
3403	S	32	Very low	31.2	Very low	105.25 Å²	105.25	120.2 Å²	120.2	74%	0.736	75%	0.75	S	S	*	*			trans	68.3	149	163.5	54.4	0	0	0	0	115.3
3404	S	32.1	Very low	31.3	Very low	95.25 Å²	95.25	121 Å²	121	67%	0.666	75%	0.753	S	S	*	*			cis	-165.2	126.1	-15.5	-10.4	0	0	0	0	111.4
3405	T	31.6	Very low	31.4	Very low	125.25 Å²	125.25	124.3 Å²	124.3	77%	0.768	76%	0.759	S	S	*	*				63.4	137.3	124.1	-30.2	0	0	0	0	118.5
3406	A	29.1	Very low	31.6	Very low	88 Å²	88	127.1 Å²	127.1	73%	0.727	77%	0.766	S	S	*	*			trans	65.6	132.4	-169.1	0	0	0	0	0	114.3
3407	A	32.3	Very low	31.8	Very low	91.75 Å²	91.75	129.2 Å²	129.2	76%	0.758	77%	0.772	S	S	*	*				-179.1	143	88.3	0	0	0	0	0	114.5
3408	V	31.2	Very low	31.9	Very low	131 Å²	131	129.4 Å²	129.4	79%	0.794	77%	0.773	S	S	*	*			trans	122.9	123.4	-161.3	153.2	0	0	0	0	115.8	G3410	V3408-G3410 PolarHBondContact O-N 3.46Å
3409	V	30.7	Very low	32	Very low	133.75 Å²	133.75	133.3 Å²	133.3	81%	0.811	78%	0.78	S	S	*	*			trans	26.6	121.4	147.1	-177.1	0	0	0	0	117.7	R3411	V3409-R3411 HydrophobicContact CG1-CG 4.27Å
3410	G	31.3	Very low	32.2	Very low	70.75 Å²	70.75	134.6 Å²	134.6	73%	0.729	78%	0.784	S	S	*	*			trans	-152.8	134.7	145.4	0	0	0	0	0	111.7	V3408	V3408-G3410 PolarHBondContact O-N 3.46Å
3411	R	35.1	Very low	32.2	Very low	235.25 Å²	235.25	135.1 Å²	135.1	89%	0.888	79%	0.787	S	S	*	*			trans	-82.9	160.3	-179	-66.6	179.9	167.8	-175.7	-3	111.5	V3409 A3413	V3409-R3411 HydrophobicContact CG1-CG 4.27Å; R3411-A3413 PolarHBondContact O-N 3.15Å
3412	P	36.6	Very low	32.2	Very low	121.5 Å²	121.5	139.6 Å²	139.6	79%	0.789	79%	0.793	S	S	*	*			trans	-98.3	140.3	-175.4	25	-18.7	0	0	0	113.1	L3414	P3412-L3414 PolarHBondContact O-N 2.86Å
3413	A	31.4	Very low	32	Very low	91 Å²	91	138.5 Å²	138.5	75%	0.752	79%	0.79	S	S	*	*			trans	-0.6	130.7	147.4	0	0	0	0	0	113.4	R3411 R3415	R3411-A3413 PolarHBondContact O-N 3.15Å; A3413-R3415 PolarHBondContact O-N 2.89Å
3414	L	34.3	Very low	32.1	Very low	154 Å²	154	145 Å²	145	81%	0.806	80%	0.799	S	S	*	*			trans	-110.9	150.1	139	-82.9	167.7	0	0	0	112.4	P3412 K3416	P3412-L3414 PolarHBondContact O-N 2.86Å; L3414-K3416 PolarHBondContact O-N 3.19Å; L3414-K3416 VanDerWaalsContact O-N 3.12Å
3415	R	32.1	Very low	32.2	Very low	225.5 Å²	225.5	146.4 Å²	146.4	85%	0.851	80%	0.804	S	S	*	*			trans	-48.9	110.8	174	-68.1	173.5	-132.3	-170.3	-0.3	112.9	A3413 L3417	A3413-R3415 PolarHBondContact O-N 2.89Å; R3415-L3417 VanDerWaalsContact C-N 3.27Å; R3415-L3417 PolarHBondContact O-N 3.35Å; R3415-L3417 VanDerWaalsContact O-N 3.16Å
3416	K	33.8	Very low	32.3	Very low	200.75 Å²	200.75	147.8 Å²	147.8	87%	0.873	81%	0.807	S	S	*	*			trans	-73.2	107.7	136.1	-83.2	180	177.6	-179.5	0	110.9	L3414 A3418	L3414-K3416 PolarHBondContact O-N 3.19Å; L3414-K3416 VanDerWaalsContact O-N 3.12Å; K3416-A3418 PolarHBondContact O-N 3.1Å
3417	L	32.8	Very low	32.1	Very low	167.25 Å²	167.25	149.5 Å²	149.5	88%	0.876	81%	0.812	S	S	*	*			trans	-69	145.6	148.9	-79.3	170.9	0	0	0	113	R3415 K3419	R3415-L3417 VanDerWaalsContact C-N 3.27Å; R3415-L3417 PolarHBondContact O-N 3.35Å; R3415-L3417 VanDerWaalsContact O-N 3.16Å; L3417-K3419 PolarHBondContact O-N 3.13Å
3418	A	30.9	Very low	32.4	Very low	89 Å²	89	150.6 Å²	150.6	74%	0.736	81%	0.811	S	S	*	*			trans	23.7	126.1	178.3	0	0	0	0	0	114.9	K3416 V3420	K3416-A3418 PolarHBondContact O-N 3.1Å; A3418-V3420 HydrophobicContact CB-CG2 4.29Å; A3418-V3420 PolarHBondContact O-N 3.07Å; A3418-V3420 VanDerWaalsContact O-N 3.09Å
3419	K	31.6	Very low	32.5	Very low	204.75 Å²	204.75	151.9 Å²	151.9	89%	0.89	81%	0.812	S	S	*	*			trans	-66.3	118	165.6	-121.3	176.4	179	176.8	0	111.3	L3417 S3421	L3417-K3419 PolarHBondContact O-N 3.13Å; K3419-S3421 PolarHBondContact O-N 3.17Å
3420	V	32.4	Very low	32.7	Very low	128.25 Å²	128.25	152.3 Å²	152.3	78%	0.777	81%	0.809	S	S	*	*			trans	-80.7	116.8	172.7	179.5	0	0	0	0	108.5	A3418 R3422	A3418-V3420 HydrophobicContact CB-CG2 4.29Å; A3418-V3420 PolarHBondContact O-N 3.07Å; A3418-V3420 VanDerWaalsContact O-N 3.09Å; V3420-R3422 PolarHBondContact O-N 3.15Å
3421	S	30.5	Very low	33	Very low	105.75 Å²	105.75	154.7 Å²	154.7	74%	0.74	81%	0.809	S	S	*	*				-86.3	123.4	98.6	-45.8	0	0	0	0	113.2	K3419	K3419-S3421 PolarHBondContact O-N 3.17Å
3422	R	30.9	Very low	33.1	Very low	240.75 Å²	240.75	149.4 Å²	149.4	91%	0.908	81%	0.805	S	S	*	*			trans	-158.2	124.2	149.5	-79	-174.4	170.7	-169.8	-3	111.3	V3420	V3420-R3422 PolarHBondContact O-N 3.15Å
3423	S	29.7	Very low	33	Very low	103.25 Å²	103.25	146.8 Å²	146.8	72%	0.722	80%	0.8	S	S	*	*			trans	0.2	138.1	173	73	0	0	0	0	114.8	T3425	S3423-T3425 PolarHBondContact O-N 3.2Å; S3423-T3425 VanDerWaalsContact O-N 3.14Å; S3423-T3425 PolarHBondContact O-OG1 3.24Å
3424	R	32.9	Very low	33.2	Very low	241.25 Å²	241.25	151.4 Å²	151.4	91%	0.91	81%	0.806	S	S	*	*			trans	24.3	128.4	163	-68.8	-177.9	174.7	-163.1	-2.8	112.8
3425	T	35.7	Very low	33.5	Very low	125.5 Å²	125.5	152.3 Å²	152.3	77%	0.77	81%	0.806	S	S	*	*			trans	-145.8	129.6	143.4	-0.8	0	0	0	0	111	S3423 C3427	S3423-T3425 PolarHBondContact O-N 3.2Å; S3423-T3425 VanDerWaalsContact O-N 3.14Å; S3423-T3425 PolarHBondContact O-OG1 3.24Å; T3425-C3427 PolarHBondContact O-N 2.86Å
3426	N	32.4	Very low	33.8	Very low	155.75 Å²	155.75	146.4 Å²	146.4	83%	0.833	80%	0.8	S	S	*	*			trans	-76.6	129.4	162.2	-71.6	-19.7	0	0	0	114.2
3427	C	26.6	Very low	34.3	Very low	122.75 Å²	122.75	143.5 Å²	143.5	83%	0.829	79%	0.794	S	S	*	*			trans	-100.5	153.8	141.3	-70.2	0	0	0	0	110.5	T3425	T3425-C3427 PolarHBondContact O-N 2.86Å
3428	P	38.3	Very low	34.6	Very low	114.75 Å²	114.75	140.9 Å²	140.9	75%	0.745	79%	0.785	S	S	*	*				-106.9	152.9	118.5	15.2	-0.7	0	0	0	114.9	I3430	P3428-I3430 PolarHBondContact O-N 3.05Å
3429	L	31.6	Very low	34.8	Very low	158 Å²	158	143.9 Å²	143.9	83%	0.827	79%	0.786	S	S	*	*				-82.5	117.3	128.4	-162.9	69.6	0	0	0	110.1	T3431	L3429-T3431 PolarHBondContact O-N 2.82Å
3430	I	35.7	Very low	35.2	Very low	143.25 Å²	143.25	139.6 Å²	139.6	74%	0.735	78%	0.781	S	S	*	*			trans	-94.8	132.9	139.4	-75.6	172.1	0	0	0	108.9	P3428 P3432	P3428-I3430 PolarHBondContact O-N 3.05Å; I3430-P3432 WeakPolarHBondContact O-CD 3.44Å
3431	T	38.4	Very low	35.3	Very low	120.5 Å²	120.5	137 Å²	137	74%	0.739	78%	0.781	S	S	*	*				-114.4	151	99.8	-14.8	0	0	0	0	109.7	L3429 G3433	L3429-T3431 PolarHBondContact O-N 2.82Å; T3431-G3433 VanDerWaalsContact C-N 3.32Å; T3431-G3433 PolarHBondContact O-N 2.95Å; T3431-G3433 VanDerWaalsContact O-N 3.08Å
3432	P	37.6	Very low	35.7	Very low	124.25 Å²	124.25	142.5 Å²	142.5	81%	0.807	79%	0.787	S	S	*	*			trans	-97.3	137.5	-168.7	17.9	-2.8	0	0	0	111.1	I3430	I3430-P3432 WeakPolarHBondContact O-CD 3.44Å
3433	G	34	Very low	36.1	Very low	66.25 Å²	66.25	137.8 Å²	137.8	68%	0.683	78%	0.778	S	S	*	*			trans	-168.4	117	159.3	0	0	0	0	0	112.6	T3431	T3431-G3433 VanDerWaalsContact C-N 3.32Å; T3431-G3433 PolarHBondContact O-N 2.95Å; T3431-G3433 VanDerWaalsContact O-N 3.08Å
3434	E	36.1	Very low	36.7	Very low	187.25 Å²	187.25	136.1 Å²	136.1	88%	0.875	78%	0.778	S	S	*	*			trans	2	118.1	162.1	-66.8	168.8	166.8	0	0	112.6
3435	E	39.6	Very low	37.1	Very low	173.25 Å²	173.25	132 Å²	132	81%	0.81	77%	0.773	S	S	*	*			trans	-124.9	137.5	147	56.5	-153.3	165.3	0	0	112
3436	S	38.7	Very low	37.2	Very low	101 Å²	101	130.6 Å²	130.6	71%	0.706	78%	0.775	S	S	*	*				-106.7	133.8	126.8	-53.7	0	0	0	0	112	D2963 G2964	D2963-S3436 CarbonylContact C-O 3.3Å; D2963-S3436 VanDerWaalsContact CA-O 3.26Å; D2963-S3436 WeakPolarHBondContact CA-O 3.49Å; D2963-S3436 PolarHBondContact N-O 2.97Å; D2963-S3436 VanDerWaalsContact O-O 3.04Å; G2964-S3436 PolarHBondContact N-O 2.76Å
3437	D	43.1	Very low	37.5	Very low	141.5 Å²	141.5	127.8 Å²	127.8	76%	0.757	77%	0.773	S	S	*	*			trans	-128.1	107.6	162.4	-87.1	-35.1	0	0	0	115.5	N2962 M3439	N2962-D3437 CarbonylContact O-C 3.56Å; N2962-D3437 VanDerWaalsContact O-C 3.28Å; N2962-D3437 VanDerWaalsContact O-O 3.05Å; D3437-M3439 PolarHBondContact O-N 3.12Å
3438	T	39.3	Very low	38	Very low	112 Å²	112	126.8 Å²	126.8	69%	0.687	77%	0.768	S	S	*	*				-167	127.4	126	70.7	0	0	0	0	115.3	A2961 N2962	A2961-T3438 WeakPolarHBondContact CA-OG1 3.17Å; A2961-T3438 PolarHBondContact N-OG1 2.85Å; N2962-T3438 VanDerWaalsContact CB-O 3.26Å; N2962-T3438 WeakPolarHBondContact CB-O 3.43Å; N2962-T3438 VanDerWaalsContact N-C 3.34Å; N2962-T3438 PolarHBondContact N-O 2.92Å; N2962-T3438 PolarHBondContact O-N 2.87Å; N2962-T3438 PolarHBondContact OD1-N 3.08Å; N2962-T3438 PolarHBondContact OD1-O 3Å
3439	M	35.2	Very low	38.2	Very low	152.25 Å²	152.25	126.1 Å²	126.1	75%	0.75	77%	0.765	S	S	*	*			trans	-1.8	120.4	161.1	-81.7	-165.2	-52.5	0	0	116.8	D2960 A2961 D3437	D2960-M3439 WeakPolarHBondContact OD1-CE 3.35Å; A2961-M3439 VanDerWaalsContact CA-O 3.22Å; A2961-M3439 WeakPolarHBondContact CA-O 3.11Å; A2961-M3439 VanDerWaalsContact CB-O 3.26Å; A2961-M3439 WeakPolarHBondContact CB-O 3.33Å; D3437-M3439 PolarHBondContact O-N 3.12Å
3440	S	40.3	Very low	38.9	Very low	113.5 Å²	113.5	123.8 Å²	123.8	79%	0.794	76%	0.758	S	S	*	*				-179.4	133.1	114.8	-89.7	0	0	0	0	113.1
3441	G	35.7	Very low	39.2	Very low	75.25 Å²	75.25	126.5 Å²	126.5	78%	0.776	76%	0.76	S	S	*	*			trans	163.5	119.7	170.4	0	0	0	0	0	113.5
3442	Y	37.5	Very low	39.6	Very low	219.25 Å²	219.25	127.1 Å²	127.1	86%	0.86	76%	0.759	S	S	*	*			trans	-120	148.6	174.3	-136.1	-103.8	0	0	0	110.4	G3444	Y3442-G3444 PolarHBondContact O-N 2.92Å
3443	I	40.3	Very low	40.1	Very low	142.25 Å²	142.25	126.4 Å²	126.4	73%	0.729	75%	0.752	S	S	*	*			trans	57	109.6	157.7	-59	122.3	0	0	0	110.8	D3445	I3443-D3445 WeakPolarHBondContact CG2-OD1 3.45Å; I3443-D3445 WeakPolarHBondContact CG2-OD2 3.32Å
3444	G	40.8	Very low	40.8	Very low	68.75 Å²	68.75	129.9 Å²	129.9	71%	0.709	76%	0.755	S	S	*	*			trans	-142.5	107.2	158	0	0	0	0	0	110.1	Y3442 A3446	Y3442-G3444 PolarHBondContact O-N 2.92Å; G3444-A3446 PolarHBondContact O-N 3.41Å
3445	D	41.5	Very low	41.4	Very low	153.75 Å²	153.75	128 Å²	128	82%	0.822	75%	0.751	S	S	*	*			trans	-53.8	118.5	167.1	-66.3	-41	0	0	0	114.3	I3443 A3447	I3443-D3445 WeakPolarHBondContact CG2-OD1 3.45Å; I3443-D3445 WeakPolarHBondContact CG2-OD2 3.32Å; D3445-A3447 PolarHBondContact O-N 3.25Å
3446	A	39.2	Very low	42.2	Very low	96.75 Å²	96.75	126.8 Å²	126.8	80%	0.8	75%	0.751	S	S	*	*			trans	-102.9	121.4	157	0	0	0	0	0	112.3	G3444	G3444-A3446 PolarHBondContact O-N 3.41Å
3447	A	37.4	Very low	42.8	Very low	96.25 Å²	96.25	129.4 Å²	129.4	80%	0.795	76%	0.757	S	S	*	*			trans	4.2	132.4	144.9	0	0	0	0	0	112.1	D3445	D3445-A3447 PolarHBondContact O-N 3.25Å
3448	S	37.1	Very low	43.3	Very low	102.75 Å²	102.75	130.2 Å²	130.2	72%	0.719	76%	0.761	S	S	*	*				89.8	120	101.4	-166.1	0	0	0	0	115.6	V3450	S3448-V3450 WeakPolarHBondContact OG-CG2 3.44Å
3449	S	42.7	Very low	43.7	Very low	99.25 Å²	99.25	133.7 Å²	133.7	69%	0.694	77%	0.769	S	S	*	*			trans	-136	126.5	145.9	57.3	0	0	0	0	111.5	Y3451	S3449-Y3451 VanDerWaalsContact C-N 3.3Å; S3449-Y3451 WeakPolarHBondContact OG-CE2 3.39Å
3450	V	46.6	Very low	44.2	Very low	110.5 Å²	110.5	129.4 Å²	129.4	67%	0.67	76%	0.764	S	S	*	*			cis	65.3	115.9	36.5	176	0	0	0	0	109.5	L3043 S3448	L3043-V3450 HydrophobicContact CD1-CG1 3.95Å; L3043-V3450 HydrophobicContact CD1-CG2 3.99Å; L3043-V3450 HydrophobicContact CG-CG1 4.45Å; L3043-V3450 HydrophobicContact CG-CG2 4.19Å; S3448-V3450 WeakPolarHBondContact OG-CG2 3.44Å
3451	Y	42.7	Very low	44.5	Very low	200.25 Å²	200.25	130.3 Å²	130.3	79%	0.785	76%	0.76	S	S	*	*			trans	-90.9	140.2	154.1	-71	-88.9	0	0	0	107.4	S3449	S3449-Y3451 VanDerWaalsContact C-N 3.3Å; S3449-Y3451 WeakPolarHBondContact OG-CE2 3.39Å
3452	D	46.3	Very low	44.9	Very low	133.5 Å²	133.5	133.4 Å²	133.4	71%	0.714	76%	0.759	S	S	*	*			cis	-173.1	123.6	32.2	-123.1	-3.3	0	0	0	109.8	D3454	D3452-D3454 VanDerWaalsContact C-N 3.31Å
3453	T	48	Very low	45.4	Very low	108.25 Å²	108.25	129.9 Å²	129.9	66%	0.664	76%	0.755	S	S	*	*			trans	-85.4	123.8	156.5	38.4	0	0	0	0	111.2	D3455	T3453-D3455 PolarHBondContact O-N 3.15Å
3454	D	48.6	Very low	45.7	Very low	139.75 Å²	139.75	130.1 Å²	130.1	75%	0.747	76%	0.758	S	S	*	*			trans	-112.6	108.9	143.7	-68.8	-48.6	0	0	0	107.1	D3452 D3456	D3452-D3454 VanDerWaalsContact C-N 3.31Å; D3454-D3456 PolarHBondContact O-N 3.11Å; D3454-D3456 VanDerWaalsContact O-N 3.16Å
3455	D	49.8	Very low	46.1	Very low	147.5 Å²	147.5	134.1 Å²	134.1	79%	0.789	76%	0.763	S	S	*	*			trans	-62.9	101.1	140.6	-87.8	-19.6	0	0	0	107.5	T3453 D3457	T3453-D3455 PolarHBondContact O-N 3.15Å; D3455-D3457 PolarHBondContact O-N 2.72Å
3456	D	55.9	Low	46.2	Very low	149.5 Å²	149.5	134.3 Å²	134.3	80%	0.799	76%	0.764	S	S	*	*			trans	-109.5	103	164.8	-91.7	-33	0	0	0	108.6	D3454 D3458	D3454-D3456 PolarHBondContact O-N 3.11Å; D3454-D3456 VanDerWaalsContact O-N 3.16Å; D3456-D3458 PolarHBondContact O-N 3.22Å; D3456-D3458 VanDerWaalsContact O-N 3.07Å
3457	D	51.7	Low	46.5	Very low	155 Å²	155	137.1 Å²	137.1	83%	0.829	77%	0.765	S	S	*	*			trans	-73.5	106.5	172.3	-80.7	-42.1	0	0	0	109.7	D3455 E3459	D3455-D3457 PolarHBondContact O-N 2.72Å; D3457-E3459 PolarHBondContact O-N 2.88Å
3458	D	52.5	Low	46.7	Very low	158.25 Å²	158.25	140 Å²	140	85%	0.846	77%	0.768	S	S	*	*			trans	-129.8	87.6	164.6	-117.1	-15.9	0	0	0	110.7	D3456 G3460	D3456-D3458 PolarHBondContact O-N 3.22Å; D3456-D3458 VanDerWaalsContact O-N 3.07Å; D3458-G3460 PolarHBondContact O-N 2.83Å
3459	E	47.3	Very low	46.7	Very low	185.25 Å²	185.25	138.3 Å²	138.3	87%	0.866	77%	0.765	S	S	*	*			trans	-76.8	95.9	167.2	-72.8	-152.6	177.3	0	0	109.5	D3457 D3461	D3457-E3459 PolarHBondContact O-N 2.88Å; E3459-D3461 PolarHBondContact O-N 3.18Å
3460	G	45.8	Very low	46.4	Very low	62.25 Å²	62.25	136.4 Å²	136.4	64%	0.642	76%	0.762	S	S	*	*			trans	-101	74.9	173.8	0	0	0	0	0	111.5	D3458 N3462	D3458-G3460 PolarHBondContact O-N 2.83Å; G3460-N3462 PolarHBondContact O-N 3.2Å; G3460-N3462 VanDerWaalsContact O-N 3.16Å; G3460-N3462 PolarHBondContact O-ND2 3.4Å
3461	D	46.7	Very low	45.9	Very low	131.25 Å²	131.25	138.6 Å²	138.6	70%	0.702	77%	0.769	S	S	*	*			trans	-5.1	112.2	143.4	-109.7	-4.6	0	0	0	112.7	E3459 D3463	E3459-D3461 PolarHBondContact O-N 3.18Å; D3461-D3463 VanDerWaalsContact C-N 3.26Å; D3461-D3463 PolarHBondContact O-N 3.03Å
3462	N	44.3	Very low	45.8	Very low	141.5 Å²	141.5	137.4 Å²	137.4	76%	0.757	77%	0.767	S	S	*	*			trans	-100.9	77.8	169.1	-65.4	-99.4	0	0	0	109.6	G3460 D3464	G3460-N3462 PolarHBondContact O-N 3.2Å; G3460-N3462 VanDerWaalsContact O-N 3.16Å; G3460-N3462 PolarHBondContact O-ND2 3.4Å; N3462-D3464 PolarHBondContact O-N 2.86Å
3463	D	47.4	Very low	45.4	Very low	144.75 Å²	144.75	138.2 Å²	138.2	77%	0.774	77%	0.772	S	S	*	*			trans	-19.9	99.9	139.6	-78.4	-19.2	0	0	0	112.8	D3461 D3465	D3461-D3463 VanDerWaalsContact C-N 3.26Å; D3461-D3463 PolarHBondContact O-N 3.03Å; D3463-D3465 VanDerWaalsContact C-N 3.34Å; D3463-D3465 PolarHBondContact O-N 2.99Å
3464	D	47.8	Very low	45	Very low	147.25 Å²	147.25	141.6 Å²	141.6	79%	0.787	78%	0.777	S	S	*	*			trans	-74.7	104.2	169.9	-79.4	-27.8	0	0	0	112.4	N3462 D3466	N3462-D3464 PolarHBondContact O-N 2.86Å; D3464-D3466 PolarHBondContact O-N 2.8Å
3465	D	48.2	Very low	44.4	Very low	152.5 Å²	152.5	142 Å²	142	82%	0.816	78%	0.78	S	S	*	*			trans	-135	95.2	159.8	-109.9	-25.9	0	0	0	111.5	D3463 D3467	D3463-D3465 VanDerWaalsContact C-N 3.34Å; D3463-D3465 PolarHBondContact O-N 2.99Å; D3465-D3467 VanDerWaalsContact C-N 3.29Å; D3465-D3467 PolarHBondContact O-N 2.93Å
3466	D	45.2	Very low	43.8	Very low	157.25 Å²	157.25	141.1 Å²	141.1	84%	0.841	78%	0.779	S	S	*	*			trans	-86.9	85.9	161.5	-99.1	-19.8	0	0	0	114.2	D3464 D3468	D3464-D3466 PolarHBondContact O-N 2.8Å; D3466-D3468 VanDerWaalsContact C-N 3.28Å; D3466-D3468 PolarHBondContact O-N 3.06Å
3467	D	44.7	Very low	42.9	Very low	156.5 Å²	156.5	143 Å²	143	84%	0.837	78%	0.78	S	S	*	*			trans	-67.7	113.1	162.6	-133	-9.7	0	0	0	114.6	D3465 G3469	D3465-D3467 VanDerWaalsContact C-N 3.29Å; D3465-D3467 PolarHBondContact O-N 2.93Å; D3467-G3469 PolarHBondContact O-N 2.84Å
3468	D	42.5	Very low	42	Very low	157.75 Å²	157.75	145.2 Å²	145.2	84%	0.844	78%	0.783	S	S	*	*			trans	-76.2	117.4	156.4	-140.7	-3.3	0	0	0	114.6	D3466 G3470	D3466-D3468 VanDerWaalsContact C-N 3.28Å; D3466-D3468 PolarHBondContact O-N 3.06Å; D3468-G3470 PolarHBondContact O-N 3.38Å
3469	G	35.7	Very low	41.2	Very low	65.25 Å²	65.25	144.8 Å²	144.8	67%	0.673	78%	0.779	S	S	*	*			trans	-3.8	77.9	165.3	0	0	0	0	0	117.3	D3467 I3471	D3467-G3469 PolarHBondContact O-N 2.84Å; G3469-I3471 PolarHBondContact O-N 3.45Å
3470	G	36.5	Very low	40.6	Very low	61 Å²	61	142 Å²	142	63%	0.629	78%	0.775	S	S	*	*			trans	-97.6	67.4	170.3	0	0	0	0	0	117.9	D3468 K3472	D3468-G3470 PolarHBondContact O-N 3.38Å; G3470-K3472 VanDerWaalsContact C-N 3.26Å; G3470-K3472 PolarHBondContact O-N 3.12Å
3471	I	36.2	Very low	40	Very low	156.25 Å²	156.25	143.8 Å²	143.8	80%	0.801	78%	0.778	S	S	*	*			trans	-46	92.4	172.3	-55.8	178.4	0	0	0	114	G3469 N3473	G3469-I3471 PolarHBondContact O-N 3.45Å; I3471-N3473 VanDerWaalsContact C-N 3.27Å; I3471-N3473 PolarHBondContact O-N 2.86Å; I3471-N3473 VanDerWaalsContact O-N 3.11Å
3472	K	40.3	Very low	39.4	Very low	175 Å²	175	145.5 Å²	145.5	76%	0.761	79%	0.785	S	S	*	*			trans	-99.7	88.1	168.1	-72.3	167.2	-174.4	154.9	0	113.7	G3470 K3474	G3470-K3472 VanDerWaalsContact C-N 3.26Å; G3470-K3472 PolarHBondContact O-N 3.12Å; K3472-K3474 VanDerWaalsContact C-N 3.26Å; K3472-K3474 PolarHBondContact O-N 3.1Å
3473	N	38.9	Very low	38.9	Very low	150.25 Å²	150.25	145.6 Å²	145.6	80%	0.803	79%	0.785	S	S	*	*			trans	-39.9	96.8	158.1	-82.1	-25.7	0	0	0	114.1	I3471 N3475	I3471-N3473 VanDerWaalsContact C-N 3.27Å; I3471-N3473 PolarHBondContact O-N 2.86Å; I3471-N3473 VanDerWaalsContact O-N 3.11Å; N3473-N3475 PolarHBondContact O-N 3.4Å
3474	K	39	Very low	38.2	Very low	179.75 Å²	179.75	144.8 Å²	144.8	78%	0.782	79%	0.786	S	S	*	*			trans	-70.7	93.2	159.8	-72.2	178.4	-179.9	171.4	0	113.4	K3472 T3476	K3472-K3474 VanDerWaalsContact C-N 3.26Å; K3472-K3474 PolarHBondContact O-N 3.1Å; K3474-T3476 PolarHBondContact O-N 3.1Å
3475	N	36.5	Very low	37.5	Very low	148.5 Å²	148.5	141.1 Å²	141.1	79%	0.794	78%	0.782	S	S	*	*			trans	-81.7	96.8	161.7	-117.1	-9	0	0	0	113.9	N3473 K3477	N3473-N3475 PolarHBondContact O-N 3.4Å; N3475-K3477 VanDerWaalsContact C-N 3.28Å; N3475-K3477 PolarHBondContact O-N 3.11Å
3476	T	36.3	Very low	36.9	Very low	128 Å²	128	141.3 Å²	141.3	79%	0.785	78%	0.781	S	S	*	*			trans	-106	89.6	165.7	48.5	0	0	0	0	114.7	K3474	K3474-T3476 PolarHBondContact O-N 3.1Å
3477	K	36.8	Very low	36.6	Very low	189 Å²	189	138.3 Å²	138.3	82%	0.822	77%	0.77	S	S	*	*			trans	-75.4	123	151.3	-74	-175.7	178.2	176.7	0	112.7	N3475 I3479	N3475-K3477 VanDerWaalsContact C-N 3.28Å; N3475-K3477 PolarHBondContact O-N 3.11Å; K3477-I3479 PolarHBondContact O-N 2.9Å
3478	K	34.5	Very low	36	Very low	201.5 Å²	201.5	137.9 Å²	137.9	88%	0.876	76%	0.763	S	S	*	*			trans	-111.5	130.9	158.7	-131.6	177	-177.9	178.7	0	111.1
3479	I	35	Very low	35.5	Very low	150.5 Å²	150.5	136.5 Å²	136.5	77%	0.772	75%	0.751	S	S	*	*			trans	-124.1	136.4	165.7	-62.7	155.1	0	0	0	108.1	K3477	K3477-I3479 PolarHBondContact O-N 2.9Å
3480	T	34	Very low	35.4	Very low	125.75 Å²	125.75	138.8 Å²	138.8	77%	0.771	75%	0.752	S	S	*	*			trans	-129.8	133.9	171.1	-42.9	0	0	0	0	110.3
3481	S	34.2	Very low	35.2	Very low	101 Å²	101	144.2 Å²	144.2	71%	0.706	76%	0.761	S	S	*	*			trans	-125.1	139	176.4	35.7	0	0	0	0	114.2
3482	I	33.8	Very low	35.1	Very low	166 Å²	166	142.6 Å²	142.6	85%	0.851	76%	0.759	S	S	*	*				-173.2	137.3	125.2	-82.3	164.2	0	0	0	110
3483	N	33.7	Very low	34.7	Very low	143 Å²	143	141 Å²	141	77%	0.765	76%	0.759	S	S	*	*			trans	-157.5	127.9	-160.1	-136.1	7.5	0	0	0	114.8
3484	V	32.8	Very low	34.5	Very low	129.75 Å²	129.75	144.6 Å²	144.6	79%	0.786	76%	0.761	S	S	*	*			trans	70.8	120.9	150.6	-171	0	0	0	0	116.6	I3486	V3484-I3486 HydrophobicContact CG1-CD1 4.42Å; V3484-I3486 HydrophobicContact CG1-CG1 4.34Å
3485	G	32.6	Very low	34.2	Very low	67.75 Å²	67.75	143.1 Å²	143.1	70%	0.698	76%	0.762	S	S	*	*				166.7	142.3	53.1	0	0	0	0	0	115.1
3486	I	35.1	Very low	34.1	Very low	156.75 Å²	156.75	143.3 Å²	143.3	80%	0.804	76%	0.763	S	S	*	*			trans	145.1	159.5	163.4	-27.8	178.1	0	0	0	113.5	V3484	V3484-I3486 HydrophobicContact CG1-CD1 4.42Å; V3484-I3486 HydrophobicContact CG1-CG1 4.34Å
3487	P	40.5	Very low	33.9	Very low	94 Å²	94	145.8 Å²	145.8	61%	0.61	76%	0.762	S	S	*	*				-124.5	177.6	-108.3	31.8	-13.7	0	0	0	114.7	K2604 N2606	K2604-P3487 PolarHBondContact N-O 2.7Å; N2606-P3487 WeakPolarHBondContact OD1-CB 3.26Å
3488	H	30.9	Very low	33.8	Very low	148.25 Å²	148.25	143.3 Å²	143.3	69%	0.686	76%	0.758	S	S	*	*			trans	121	143.8	131.4	-114.7	-117	0	0	0	113.5	K2604 V2605 N2606	K2604-H3488 CarbonylContact C-O 3.36Å; K2604-H3488 WeakPolarHBondContact CA-O 2.84Å; V2605-H3488 CarbonylContact C-O 3.26Å; V2605-H3488 WeakPolarHBondContact CA-O 3.05Å; V2605-H3488 PolarHBondContact N-O 3.39Å; N2606-H3488 PolarHBondContact N-O 2.81Å; N2606-H3488 VanDerWaalsContact OD1-CB 3.29Å; N2606-H3488 WeakPolarHBondContact OD1-CB 3.23Å; N2606-H3488 PolarHBondContact OD1-O 2.73Å
3489	E	33	Very low	33.7	Very low	129 Å²	129	138.9 Å²	138.9	60%	0.603	75%	0.753	S	S	*	*				135.2	145.1	82.8	-98.6	171.9	-160.2	0	0	117.2	V2605 N2606 E2607	V2605-E3489 VanDerWaalsContact C-N 3.33Å; V2605-E3489 WeakPolarHBondContact O-CB 3.29Å; V2605-E3489 PolarHBondContact O-N 3.41Å; N2606-E3489 VanDerWaalsContact CA-OE1 3.27Å; N2606-E3489 WeakPolarHBondContact CA-OE1 3.23Å; N2606-E3489 VanDerWaalsContact CB-OE1 3.3Å; N2606-E3489 WeakPolarHBondContact CB-OE1 3.38Å; N2606-E3489 PolarHBondContact ND2-OE1 2.97Å; N2606-E3489 VanDerWaalsContact ND2-OE1 3.13Å; E2607-E3489 WeakPolarHBondContact CA-OE1 3.37Å; E2607-E3489 WeakPolarHBondContact CA-OE2 3.4Å; E2607-E3489 VanDerWaalsContact CG-OE1 3.28Å; E2607-E3489 WeakPolarHBondContact CG-OE1 3.29Å; E2607-E3489 PolarHBondContact N-OE1 3.11Å; E2607-E3489 PolarHBondContact N-OE2 3.34Å; E2607-E3489 VanDerWaalsContact N-OE2 3.16Å
3490	V	33.5	Very low	33.6	Very low	113.5 Å²	113.5	136.8 Å²	136.8	69%	0.688	75%	0.752	S	S	*	*				69.9	134.7	105.5	170.4	0	0	0	0	119.1
3491	E	31.5	Very low	33.6	Very low	173.75 Å²	173.75	136.7 Å²	136.7	81%	0.812	75%	0.751	S	S	*	*			trans	-27.6	140.7	136	-79.9	170.9	178.6	0	0	117.8
3492	T	35.2	Very low	33.5	Very low	124.25 Å²	124.25	138.7 Å²	138.7	76%	0.762	75%	0.752	S	S	*	*			trans	-152	153.6	132.4	26.9	0	0	0	0	113.8	R3494	T3492-R3494 PolarHBondContact O-N 2.69Å
3493	N	32	Very low	33.4	Very low	141.25 Å²	141.25	137 Å²	137	76%	0.755	75%	0.745	S	S	*	*			trans	-109.8	107	160.9	-92.9	-45.8	0	0	0	112.6
3494	R	33.5	Very low	33.3	Very low	225.25 Å²	225.25	137.8 Å²	137.8	85%	0.85	74%	0.744	S	S	*	*				138.8	115.1	127	-80.3	179.3	-178.1	145	2.1	114.7	T3492	T3492-R3494 PolarHBondContact O-N 2.69Å
3495	N	33.3	Very low	33.3	Very low	149 Å²	149	138.6 Å²	138.6	80%	0.797	74%	0.741	S	S	*	*			trans	-157.4	122.1	137.1	-71.1	-17.5	0	0	0	112.9
3496	N	33.5	Very low	33.2	Very low	152.25 Å²	152.25	143.4 Å²	143.4	81%	0.814	75%	0.745	S	S	*	*				62	123.7	117.6	-84.7	-3.8	0	0	0	116
3497	K	33.3	Very low	33	Very low	179.75 Å²	179.75	142.6 Å²	142.6	78%	0.782	74%	0.741	S	S	*	*			trans	179.7	134.1	140.7	-96.5	-176.6	173.7	-157.4	0	116.8
3498	D	34.4	Very low	32.6	Very low	138 Å²	138	144.9 Å²	144.9	74%	0.738	75%	0.749	S	S	*	*			trans	43.7	119.2	151.3	-47.8	-31.3	0	0	0	117.6
3499	S	31.9	Very low	32.8	Very low	108.5 Å²	108.5	143.7 Å²	143.7	76%	0.759	75%	0.752	S	S	*	*				-177.9	117.8	107.3	45	0	0	0	0	114.9	T3501	S3499-T3501 WeakPolarHBondContact CB-OG1 3.49Å
3500	S	33	Very low	32.8	Very low	107 Å²	107	143 Å²	143	75%	0.748	76%	0.759	S	S	*	*			trans	-79.6	110.8	148.6	61.9	0	0	0	0	113.9
3501	T	33.7	Very low	32.7	Very low	123.5 Å²	123.5	144.4 Å²	144.4	76%	0.758	77%	0.767	S	S	*	*				118.8	114.7	126.8	-32.2	0	0	0	0	113.6	S3499 N3503	S3499-T3501 WeakPolarHBondContact CB-OG1 3.49Å; T3501-N3503 PolarHBondContact O-N 2.95Å
3502	I	32.4	Very low	32.7	Very low	141.75 Å²	141.75	140.6 Å²	140.6	73%	0.727	76%	0.76	S	S	*	*			trans	66.5	122	133.4	-69.7	167.3	0	0	0	112.3
3503	N	31.8	Very low	32.5	Very low	131.75 Å²	131.75	142.3 Å²	142.3	71%	0.705	76%	0.761	S	S	*	*				174.2	142.3	77.1	-96.5	-17.2	0	0	0	114.4	T3501 M3505	T3501-N3503 PolarHBondContact O-N 2.95Å; N3503-M3505 PolarHBondContact O-N 3.19Å
3504	H	31.9	Very low	32.5	Very low	158.25 Å²	158.25	140.9 Å²	140.9	73%	0.733	75%	0.753	S	S	*	*			trans	37.2	121.2	149.6	-75.5	-89.7	0	0	0	118.9
3505	M	31.7	Very low	32.4	Very low	147.5 Å²	147.5	139.3 Å²	139.3	73%	0.727	75%	0.748	S	S	*	*				136.4	132.9	116.3	-77.5	-171.4	-46.6	0	0	115.3	N3503 L3507	N3503-M3505 PolarHBondContact O-N 3.19Å; M3505-L3507 HydrophobicContact CB-CD1 4.45Å; M3505-L3507 PolarHBondContact O-N 3.31Å
3506	Q	31.7	Very low	32.3	Very low	169 Å²	169	139.4 Å²	139.4	79%	0.79	75%	0.748	S	S	*	*				-129.5	125.8	106.5	-105.7	167.5	-32.5	0	0	115.3
3507	L	30.8	Very low	32	Very low	138.5 Å²	138.5	138.1 Å²	138.1	73%	0.725	75%	0.749	S	S	*	*			trans	21.4	119.5	151.1	-95.1	72.4	0	0	0	117.2	M3505 T3509	M3505-L3507 HydrophobicContact CB-CD1 4.45Å; M3505-L3507 PolarHBondContact O-N 3.31Å; L3507-T3509 HydrophobicContact CG-CG2 4.33Å; L3507-T3509 PolarHBondContact O-N 3.18Å; L3507-T3509 PolarHBondContact O-OG1 3.4Å
3508	N	31.8	Very low	31.8	Very low	142.5 Å²	142.5	139.7 Å²	139.7	76%	0.762	75%	0.751	S	S	*	*				-144.7	104.8	126	-86.6	-14.8	0	0	0	112.9
3509	T	34.5	Very low	31.5	Very low	123.25 Å²	123.25	139.1 Å²	139.1	76%	0.756	75%	0.747	S	S	*	*			trans	111.8	143.3	130.5	22	0	0	0	0	114	L3507	L3507-T3509 HydrophobicContact CG-CG2 4.33Å; L3507-T3509 PolarHBondContact O-N 3.18Å; L3507-T3509 PolarHBondContact O-OG1 3.4Å
3510	P	34.2	Very low	31.5	Very low	115.5 Å²	115.5	139 Å²	139	75%	0.75	74%	0.741	S	S	*	*			trans	-110.1	158.4	-143.4	37.3	-30.4	0	0	0	114.5
3511	V	31.1	Very low	31.4	Very low	142.75 Å²	142.75	138.1 Å²	138.1	87%	0.865	73%	0.732	S	S	*	*			trans	-140	135.4	150.9	165.5	0	0	0	0	112.9
3512	S	30.9	Very low	31.3	Very low	93.75 Å²	93.75	138.2 Å²	138.2	66%	0.656	73%	0.732	S	S	*	*			trans	-155.2	122.2	166.9	-179.3	0	0	0	0	115.7
3513	M	31.2	Very low	31.2	Very low	159.5 Å²	159.5	137.4 Å²	137.4	79%	0.786	73%	0.728	S	S	*	*			trans	35.4	121.6	138.1	-55.4	-120	-78	0	0	121.2
3514	D	31.1	Very low	31.2	Very low	111.25 Å²	111.25	136.8 Å²	136.8	60%	0.595	73%	0.729	S	S	*	*				153.9	153.8	95.4	-158.7	13.5	0	0	0	116.4	Q3530 S3531	D3514-Q3530 HydrophobicContact CB-CG 4.26Å; D3514-Q3530 WeakPolarHBondContact OD2-CA 2.99Å; D3514-S3531 VanDerWaalsContact CG-OG 3.24Å; D3514-S3531 PolarHBondContact OD1-OG 2.75Å; D3514-S3531 WeakPolarHBondContact OD2-CB 3.29Å; D3514-S3531 PolarHBondContact OD2-N 3.19Å; D3514-S3531 PolarHBondContact OD2-OG 3.12Å
3515	R	32.9	Very low	31.1	Very low	192.75 Å²	192.75	134.6 Å²	134.6	73%	0.727	73%	0.727	S	S	*	*			trans	-80.7	135	165.8	-83.1	162.5	-175.4	146.9	-3.4	117.3	C3517 Q3529 Q3530	R3515-C3517 PolarHBondContact O-N 3.21Å; R3515-Q3529 WeakPolarHBondContact CD-O 3.49Å; R3515-Q3529 PolarHBondContact NH1-O 2.78Å; R3515-Q3530 WeakPolarHBondContact CD-O 3.42Å; R3515-Q3530 PolarHBondContact NE-O 3.17Å; R3515-Q3530 PolarHBondContact NH1-O 2.9Å; R3515-Q3530 PolarHBondContact NH2-O 3.1Å
3516	N	31.1	Very low	31.1	Very low	149.75 Å²	149.75	138 Å²	138	80%	0.801	73%	0.731	S	S	*	*			trans	-49.6	141.8	142.8	-71.7	-34	0	0	0	116.2	R3518	N3516-R3518 PolarHBondContact O-N 2.8Å
3517	C	27.3	Very low	31.1	Very low	126 Å²	126	137.9 Å²	137.9	85%	0.851	73%	0.731	S	S	*	*			trans	-179.7	133.1	148.2	-76.7	0	0	0	0	115.6	R3515	R3515-C3517 PolarHBondContact O-N 3.21Å
3518	R	28.9	Very low	31	Very low	213.75 Å²	213.75	136.6 Å²	136.6	81%	0.807	73%	0.732	S	S	*	*			trans	133.5	122.9	162	-137.7	177.1	170.6	170.9	-0.6	116	N3516 T3520 E3555 Y3573	N3516-R3518 PolarHBondContact O-N 2.8Å; R3518-T3520 WeakPolarHBondContact CG-OG1 3.12Å; R3518-T3520 PolarHBondContact O-N 3.01Å; R3518-T3520 VanDerWaalsContact O-N 3.11Å; R3518-E3555 IonicContact CZ-OE1 3.58Å; R3518-E3555 IonicContact NE-OE1 3.66Å; R3518-E3555 IonicContact NH2-OE1 2.69Å; R3518-E3555 PolarHBondContact NH2-OE1 3.24Å; R3518-Y3573 HydrophobicContact CG-CE2 3.94Å; R3518-Y3573 WeakPolarHBondContact CG-OH 3.23Å
3519	L	28.1	Very low	31	Very low	125.25 Å²	125.25	137.6 Å²	137.6	66%	0.656	73%	0.732	S	S	*	*			trans	-8.5	129.4	149.2	-96.7	109.8	0	0	0	117.1	I3523 N3553 S3572 Y3573	L3519-I3523 HydrophobicContact CD1-CD1 3.47Å; L3519-I3523 VanDerWaalsContact CD1-CD1 3.47Å; L3519-I3523 HydrophobicContact CG-CD1 3.93Å; L3519-N3553 WeakPolarHBondContact CD2-OD1 3.46Å; L3519-S3572 WeakPolarHBondContact CB-O 3.49Å; L3519-S3572 WeakPolarHBondContact CD2-OG 3.36Å; L3519-Y3573 HydrophobicContact CD1-CD1 3.19Å; L3519-Y3573 HydrophobicContact CD1-CD2 4.33Å; L3519-Y3573 HydrophobicContact CD1-CE1 3.29Å; L3519-Y3573 HydrophobicContact CD1-CE2 4.41Å; L3519-Y3573 HydrophobicContact CD1-CG 3.73Å
3520	T	30.5	Very low	30.8	Very low	105 Å²	105	138.9 Å²	138.9	64%	0.644	73%	0.73	S	S	*	*			trans	148.4	109.7	149.5	-20.3	0	0	0	0	115.2	R3518 T3522 I3523 N3552 N3553 S3571	R3518-T3520 WeakPolarHBondContact CG-OG1 3.12Å; R3518-T3520 PolarHBondContact O-N 3.01Å; R3518-T3520 VanDerWaalsContact O-N 3.11Å; T3520-T3522 CarbonylContact O-C 3.31Å; T3520-T3522 PolarHBondContact O-N 3.36Å; T3520-I3523 VanDerWaalsContact O-CG1 3.23Å; T3520-I3523 WeakPolarHBondContact O-CG1 3.16Å; T3520-N3552 PolarHBondContact O-OD1 3.49Å; T3520-N3553 PolarHBondContact N-ND2 2.92Å; T3520-N3553 PolarHBondContact O-ND2 2.96Å; T3520-S3571 WeakPolarHBondContact CG2-O 3.34Å
3521	T	31.9	Very low	30.6	Very low	89.75 Å²	89.75	137.9 Å²	137.9	55%	0.551	73%	0.726	S	S	*	*			trans	-24.3	135.7	154.3	-50.3	0	0	0	0	116.3	I3523 N3552 N3554 S3570 S3571	T3521-I3523 HydrophobicContact CG2-CD1 4.06Å; T3521-I3523 HydrophobicContact CG2-CG1 4.24Å; T3521-N3552 VanDerWaalsContact CA-OD1 3.28Å; T3521-N3552 WeakPolarHBondContact CA-OD1 3.47Å; T3521-N3552 PolarHBondContact O-OD1 3.08Å; T3521-N3554 WeakPolarHBondContact CG2-ND2 3.28Å; T3521-N3554 PolarHBondContact N-OD1 2.89Å; T3521-N3554 VanDerWaalsContact OG1-CG 3.25Å; T3521-N3554 PolarHBondContact OG1-ND2 3.24Å; T3521-N3554 PolarHBondContact OG1-OD1 3.06Å; T3521-S3570 VanDerWaalsContact CB-O 3.27Å; T3521-S3570 WeakPolarHBondContact CB-O 3.16Å; T3521-S3570 PolarHBondContact OG1-O 3.02Å; T3521-S3571 WeakPolarHBondContact OG1-CB 3.47Å; T3521-S3571 PolarHBondContact OG1-O 2.89Å
3522	T	31	Very low	30.5	Very low	123.75 Å²	123.75	137.3 Å²	137.3	76%	0.759	72%	0.722	S	S	*	*				-140	121.9	123.5	-54.3	0	0	0	0	114.4	T3520 V3524 N3552	T3520-T3522 CarbonylContact O-C 3.31Å; T3520-T3522 PolarHBondContact O-N 3.36Å; T3522-V3524 HydrophobicContact CG2-CG2 4.12Å; T3522-N3552 VanDerWaalsContact N-CG 3.26Å; T3522-N3552 PolarHBondContact N-ND2 3.39Å; T3522-N3552 VanDerWaalsContact N-ND2 3.11Å; T3522-N3552 PolarHBondContact N-OD1 3.21Å; T3522-N3552 PolarHBondContact O-ND2 3.47Å
3523	I	31	Very low	30.5	Very low	125.5 Å²	125.5	139.6 Å²	139.6	64%	0.644	73%	0.727	S	S	*	*			trans	-121.8	127.3	-171.2	-72.2	174.1	0	0	0	110.1	L3519 T3520 T3521 T3525	L3519-I3523 HydrophobicContact CD1-CD1 3.47Å; L3519-I3523 VanDerWaalsContact CD1-CD1 3.47Å; L3519-I3523 HydrophobicContact CG-CD1 3.93Å; T3520-I3523 VanDerWaalsContact O-CG1 3.23Å; T3520-I3523 WeakPolarHBondContact O-CG1 3.16Å; T3521-I3523 HydrophobicContact CG2-CD1 4.06Å; T3521-I3523 HydrophobicContact CG2-CG1 4.24Å; I3523-T3525 HydrophobicContact CG2-CG2 3.91Å
3524	V	31.7	Very low	30.4	Very low	120 Å²	120	138.1 Å²	138.1	73%	0.727	72%	0.722	S	S	*	*			trans	-131.1	121.2	159	-179.6	0	0	0	0	113.3	T3522	T3522-V3524 HydrophobicContact CG2-CG2 4.12Å
3525	T	29.5	Very low	30.5	Very low	112.25 Å²	112.25	139.1 Å²	139.1	69%	0.689	73%	0.727	S	S	*	*			trans	8.1	130.7	167.4	41.3	0	0	0	0	117.5	I3523	I3523-T3525 HydrophobicContact CG2-CG2 3.91Å
3526	R	31	Very low	30.3	Very low	217.5 Å²	217.5	140 Å²	140	82%	0.821	73%	0.732	S	S	*	*				117.3	121.2	126	-75.3	174.7	-149.1	-109.1	3.4	112.5
3527	Q	31.4	Very low	30.3	Very low	167.75 Å²	167.75	137.1 Å²	137.1	78%	0.784	73%	0.729	S	S	*	*				117	130.5	94	-87.4	176.1	-39.8	0	0	114.1
3528	C	29.2	Very low	30.4	Very low	110.25 Å²	110.25	138.5 Å²	138.5	75%	0.745	73%	0.728	S	S	*	*				89.1	149.5	105.4	-66.2	0	0	0	0	116.2
3529	Q	32.7	Very low	30.4	Very low	163.5 Å²	163.5	135.8 Å²	135.8	76%	0.764	73%	0.729	S	S	*	*			cis	-164.5	164.4	-6.8	-130.9	167.2	-24.3	0	0	111.2	R3515	R3515-Q3529 WeakPolarHBondContact CD-O 3.49Å; R3515-Q3529 PolarHBondContact NH1-O 2.78Å
3530	Q	29.1	Very low	30.5	Very low	151.25 Å²	151.25	137 Å²	137	71%	0.707	74%	0.735	S	S	*	*			trans	39.3	141.7	175.9	-87.3	171.9	-12.2	0	0	119.7	D3514 R3515 V3532	D3514-Q3530 HydrophobicContact CB-CG 4.26Å; D3514-Q3530 WeakPolarHBondContact OD2-CA 2.99Å; R3515-Q3530 WeakPolarHBondContact CD-O 3.42Å; R3515-Q3530 PolarHBondContact NE-O 3.17Å; R3515-Q3530 PolarHBondContact NH1-O 2.9Å; R3515-Q3530 PolarHBondContact NH2-O 3.1Å; Q3530-V3532 HydrophobicContact CG-CG2 4.25Å
3531	S	30.5	Very low	30.5	Very low	94.25 Å²	94.25	139.4 Å²	139.4	66%	0.659	74%	0.739	S	S	*	*			trans	-148.4	137.1	-141.2	55	0	0	0	0	111.7	D3514	D3514-S3531 VanDerWaalsContact CG-OG 3.24Å; D3514-S3531 PolarHBondContact OD1-OG 2.75Å; D3514-S3531 WeakPolarHBondContact OD2-CB 3.29Å; D3514-S3531 PolarHBondContact OD2-N 3.19Å; D3514-S3531 PolarHBondContact OD2-OG 3.12Å
3532	V	30	Very low	30.5	Very low	129.75 Å²	129.75	142 Å²	142	79%	0.786	75%	0.748	S	S	*	*				-47.9	132.3	114	-166.1	0	0	0	0	113.8	Q3530	Q3530-V3532 HydrophobicContact CG-CG2 4.25Å
3533	N	30.4	Very low	30.6	Very low	142.75 Å²	142.75	141.7 Å²	141.7	76%	0.763	74%	0.742	S	S	*	*			trans	-133.2	140.1	151.1	-165.8	12	0	0	0	111.6	N3535	N3533-N3535 PolarHBondContact OD1-ND2 2.9Å
3534	N	29.1	Very low	30.7	Very low	128.75 Å²	128.75	143.4 Å²	143.4	69%	0.689	75%	0.747	S	S	*	*			trans	-118.1	141.2	168.6	-71	-38.8	0	0	0	112.4
3535	N	33.2	Very low	30.8	Very low	131.5 Å²	131.5	146.8 Å²	146.8	70%	0.703	75%	0.747	S	S	*	*			trans	170.9	125.8	137.5	-87.4	-30.8	0	0	0	115.5	N3533	N3533-N3535 PolarHBondContact OD1-ND2 2.9Å
3536	Y	29.5	Very low	31	Very low	212.25 Å²	212.25	148.4 Å²	148.4	83%	0.832	75%	0.751	S	S	*	*			trans	25.2	115.6	153.7	-58.9	-81.4	0	0	0	119.9
3537	A	29.5	Very low	30.9	Very low	89.25 Å²	89.25	143.5 Å²	143.5	74%	0.738	75%	0.749	S	S	*	*				83.5	129.3	85	0	0	0	0	0	115.4
3538	N	31.1	Very low	30.8	Very low	154.5 Å²	154.5	143 Å²	143	83%	0.826	75%	0.751	S	S	*	*			trans	-151	132.8	159.8	-84.4	-37.7	0	0	0	114.8
3539	L	28.2	Very low	30.7	Very low	156 Å²	156	145.6 Å²	145.6	82%	0.817	75%	0.752	S	S	*	*			trans	13.6	125	159.6	-67.7	119.2	0	0	0	115.2
3540	L	31.1	Very low	30.6	Very low	150.75 Å²	150.75	142.8 Å²	142.8	79%	0.789	75%	0.75	S	S	*	*			trans	55.5	130.5	136.4	-108.9	77.7	0	0	0	116.1	I3542	L3540-I3542 PolarHBondContact O-N 3.16Å
3541	Q	29.8	Very low	30.8	Very low	156.5 Å²	156.5	140.5 Å²	140.5	73%	0.731	75%	0.747	S	S	*	*			trans	-54.8	132.9	134.3	-163.8	169.4	-3.1	0	0	115.4	D3543	Q3541-D3543 PolarHBondContact NE2-OD1 3.05Å
3542	I	32	Very low	30.8	Very low	144.25 Å²	144.25	141.5 Å²	141.5	74%	0.74	74%	0.744	S	S	*	*			trans	60.2	127.8	141	-62.9	174.4	0	0	0	114.6	L3540	L3540-I3542 PolarHBondContact O-N 3.16Å
3543	D	33.5	Very low	30.9	Very low	117.25 Å²	117.25	139.8 Å²	139.8	63%	0.627	73%	0.731	S	S	*	*				-132.3	152	126.1	-116.8	-6.8	0	0	0	116	Q3541 R3545	Q3541-D3543 PolarHBondContact NE2-OD1 3.05Å; D3543-R3545 IonicContact OD1-CZ 2.65Å; D3543-R3545 IonicContact OD1-NH1 2.7Å; D3543-R3545 IonicContact OD1-NH2 3.06Å; D3543-R3545 PolarHBondContact OD1-NH2 3.01Å; D3543-R3545 IonicContact OD2-CZ 2.97Å; D3543-R3545 IonicContact OD2-NE 3.24Å; D3543-R3545 PolarHBondContact OD2-NE 3.47Å; D3543-R3545 IonicContact OD2-NH1 3.33Å; D3543-R3545 PolarHBondContact OD2-NH1 3.24Å; D3543-R3545 IonicContact OD2-NH2 2.92Å; D3543-R3545 PolarHBondContact OD2-NH2 2.91Å; D3543-R3545 VanDerWaalsContact OD2-NH2 3.08Å
3544	E	32.1	Very low	30.9	Very low	161.75 Å²	161.75	138 Å²	138	76%	0.756	72%	0.721	S	S	*	*			trans	-75.2	131.1	165.2	-52.9	-174.6	157.6	0	0	113.8
3545	R	33.9	Very low	31	Very low	190.25 Å²	190.25	137.7 Å²	137.7	72%	0.718	72%	0.716	S	S	*	*				-168	142.3	127	-98.6	160.1	-151.2	158.1	10.6	113.5	D3543	D3543-R3545 IonicContact OD1-CZ 2.65Å; D3543-R3545 IonicContact OD1-NH1 2.7Å; D3543-R3545 IonicContact OD1-NH2 3.06Å; D3543-R3545 PolarHBondContact OD1-NH2 3.01Å; D3543-R3545 IonicContact OD2-CZ 2.97Å; D3543-R3545 IonicContact OD2-NE 3.24Å; D3543-R3545 PolarHBondContact OD2-NE 3.47Å; D3543-R3545 IonicContact OD2-NH1 3.33Å; D3543-R3545 PolarHBondContact OD2-NH1 3.24Å; D3543-R3545 IonicContact OD2-NH2 2.92Å; D3543-R3545 PolarHBondContact OD2-NH2 2.91Å; D3543-R3545 VanDerWaalsContact OD2-NH2 3.08Å
3546	N	33.6	Very low	31	Very low	146.25 Å²	146.25	139.7 Å²	139.7	78%	0.782	72%	0.72	S	S	*	*			trans	71.3	113.3	155.4	-56.4	-13.9	0	0	0	118.5
3547	C	29.1	Very low	31.1	Very low	115 Å²	115	133.9 Å²	133.9	78%	0.777	72%	0.717	S	S	*	*				86.9	136	72.9	-60.1	0	0	0	0	115.5
3548	L	29.6	Very low	31.2	Very low	157.75 Å²	157.75	134.7 Å²	134.7	83%	0.826	72%	0.717	S	S	*	*			trans	142.3	124.6	137.6	-81.1	112.4	0	0	0	115.2
3549	H	27.8	Very low	31.3	Very low	164.5 Å²	164.5	137.1 Å²	137.1	76%	0.762	72%	0.72	S	S	*	*				44	122	115.2	-98.4	64.8	0	0	0	116.6
3550	S	30.6	Very low	31.4	Very low	104.25 Å²	104.25	134.7 Å²	134.7	73%	0.729	72%	0.716	S	S	*	*				-168	130.7	109.1	-128.9	0	0	0	0	111
3551	V	31.5	Very low	31.4	Very low	103.75 Å²	103.75	132.5 Å²	132.5	63%	0.629	71%	0.709	S	S	*	*				63.9	105.3	69.3	-173.3	0	0	0	0	115.2
3552	N	30.5	Very low	31.5	Very low	114.75 Å²	114.75	133.4 Å²	133.4	61%	0.614	71%	0.713	S	S	*	*				130.2	143.2	94.4	-141.8	9.8	0	0	0	117.3	T3520 T3521 T3522	T3520-N3552 PolarHBondContact O-OD1 3.49Å; T3521-N3552 VanDerWaalsContact CA-OD1 3.28Å; T3521-N3552 WeakPolarHBondContact CA-OD1 3.47Å; T3521-N3552 PolarHBondContact O-OD1 3.08Å; T3522-N3552 VanDerWaalsContact N-CG 3.26Å; T3522-N3552 PolarHBondContact N-ND2 3.39Å; T3522-N3552 VanDerWaalsContact N-ND2 3.11Å; T3522-N3552 PolarHBondContact N-OD1 3.21Å; T3522-N3552 PolarHBondContact O-ND2 3.47Å
3553	N	32	Very low	31.3	Very low	93 Å²	93	135.1 Å²	135.1	50%	0.497	72%	0.715	S	S	.	*			trans	55.4	136	148.6	-64.5	-12.1	0	0	0	121.7	S3164 L3519 T3520 S3572	S3164-N3553 PolarHBondContact O-ND2 2.96Å; L3519-N3553 WeakPolarHBondContact CD2-OD1 3.46Å; T3520-N3553 PolarHBondContact N-ND2 2.92Å; T3520-N3553 PolarHBondContact O-ND2 2.96Å; N3553-S3572 WeakPolarHBondContact CB-OG 3.42Å
3554	N	30.8	Very low	31.1	Very low	105 Å²	105	134.3 Å²	134.3	56%	0.561	72%	0.719	S	S	*	*				-170.1	153.4	126.9	-84.9	4.7	0	0	0	116	P3162 S3163 T3521 S3571 S3572 Y3573	P3162-N3554 WeakPolarHBondContact O-CB 3.07Å; P3162-N3554 PolarHBondContact O-ND2 3.47Å; S3163-N3554 WeakPolarHBondContact CB-O 3.21Å; S3163-N3554 WeakPolarHBondContact OG-CA 3.34Å; S3163-N3554 PolarHBondContact OG-N 2.69Å; S3163-N3554 VanDerWaalsContact OG-N 3.08Å; S3163-N3554 PolarHBondContact OG-O 2.85Å; T3521-N3554 WeakPolarHBondContact CG2-ND2 3.28Å; T3521-N3554 PolarHBondContact N-OD1 2.89Å; T3521-N3554 VanDerWaalsContact OG1-CG 3.25Å; T3521-N3554 PolarHBondContact OG1-ND2 3.24Å; T3521-N3554 PolarHBondContact OG1-OD1 3.06Å; N3554-S3571 WeakPolarHBondContact CB-OG 3.43Å; N3554-S3571 VanDerWaalsContact CG-OG 3.25Å; N3554-S3571 VanDerWaalsContact ND2-CB 3.34Å; N3554-S3571 WeakPolarHBondContact ND2-CB 3.48Å; N3554-S3571 PolarHBondContact ND2-OG 3.24Å; N3554-S3572 WeakPolarHBondContact OD1-CA 3.38Å; N3554-S3572 WeakPolarHBondContact OD1-CB 3.31Å; N3554-S3572 PolarHBondContact OD1-OG 3.44Å; N3554-Y3573 CarbonylContact C-O 3.53Å; N3554-Y3573 CarbonylContact O-C 2.93Å; N3554-Y3573 PolarHBondContact O-N 3.44Å
3555	E	31	Very low	31.1	Very low	123.25 Å²	123.25	133 Å²	133	58%	0.576	72%	0.722	S	S	*	*			trans	-131.6	161.2	162.1	-111.3	171	164.7	0	0	115.6	R3518 S3571 S3572 Y3573	R3518-E3555 IonicContact CZ-OE1 3.58Å; R3518-E3555 IonicContact NE-OE1 3.66Å; R3518-E3555 IonicContact NH2-OE1 2.69Å; R3518-E3555 PolarHBondContact NH2-OE1 3.24Å; E3555-S3571 WeakPolarHBondContact CB-OG 3.39Å; E3555-S3571 PolarHBondContact N-OG 3.39Å; E3555-S3572 VanDerWaalsContact CB-CA 3.42Å; E3555-S3572 VanDerWaalsContact CD-N 3.31Å; E3555-S3572 WeakPolarHBondContact CG-O 3.37Å; E3555-S3572 PolarHBondContact OE2-N 2.85Å; E3555-Y3573 VanDerWaalsContact CA-O 3.3Å; E3555-Y3573 WeakPolarHBondContact CA-O 3.25Å; E3555-Y3573 VanDerWaalsContact CB-N 3.28Å; E3555-Y3573 HydrophobicContact CG-CD2 3.76Å; E3555-Y3573 HydrophobicContact CG-CG 4.2Å; E3555-Y3573 VanDerWaalsContact OE1-CD2 3.26Å; E3555-Y3573 WeakPolarHBondContact OE1-CD2 3.42Å
3556	H	35	Very low	30.9	Very low	173.25 Å²	173.25	128 Å²	128	80%	0.802	72%	0.721	S	S	*	*			trans	-151.6	131.8	141.7	-82.5	-69	0	0	0	115.7
3557	A	31	Very low	30.8	Very low	91 Å²	91	127.9 Å²	127.9	75%	0.752	72%	0.721	S	S	*	*			trans	-155.5	147.7	155.4	0	0	0	0	0	116.9
3558	S	31.8	Very low	31	Very low	106.5 Å²	106.5	128.8 Å²	128.8	75%	0.745	72%	0.716	S	S	*	*			trans	26.5	119.6	159.4	-51.7	0	0	0	0	120.2
3559	K	32.8	Very low	31.2	Very low	204.5 Å²	204.5	127.8 Å²	127.8	89%	0.889	71%	0.712	S	S	*	*				154.9	136	129.1	-87.3	158.6	-171.8	174.1	0	113.7
3560	S	30	Very low	31.4	Very low	105.5 Å²	105.5	124.2 Å²	124.2	74%	0.738	71%	0.705	S	S	*	*				119.1	139.5	64.4	-165.4	0	0	0	0	116
3561	T	31.4	Very low	31.4	Very low	104.75 Å²	104.75	123.5 Å²	123.5	64%	0.643	70%	0.7	S	S	*	*			trans	-2.6	127.7	155.8	1.1	0	0	0	0	116.9	F3563	T3561-F3563 HydrophobicContact CG2-CD2 3.65Å; T3561-F3563 HydrophobicContact CG2-CE2 3.76Å; T3561-F3563 HydrophobicContact CG2-CG 4.33Å
3562	H	31.3	Very low	31.5	Very low	175.5 Å²	175.5	121.9 Å²	121.9	81%	0.813	69%	0.694	S	S	*	*			trans	171.6	131.8	135	-93.5	-93	0	0	0	113.4
3563	F	28.7	Very low	31.5	Very low	179.5 Å²	179.5	124.9 Å²	124.9	79%	0.787	70%	0.698	S	S	*	*			trans	26.3	123	130.9	-74.7	-97.6	0	0	0	116.5	T3561	T3561-F3563 HydrophobicContact CG2-CD2 3.65Å; T3561-F3563 HydrophobicContact CG2-CE2 3.76Å; T3561-F3563 HydrophobicContact CG2-CG 4.33Å
3564	S	29.1	Very low	31.4	Very low	100.5 Å²	100.5	125.2 Å²	125.2	70%	0.703	71%	0.707	S	S	*	*				162	130.8	73	-91.1	0	0	0	0	113.4
3565	T	31.1	Very low	31.4	Very low	134.75 Å²	134.75	127.3 Å²	127.3	83%	0.827	72%	0.718	S	S	*	*			trans	47.1	134.6	150	42	0	0	0	0	117.1
3566	A	31.2	Very low	31.4	Very low	83.75 Å²	83.75	127.7 Å²	127.7	69%	0.692	73%	0.729	S	S	*	*			cis	94.1	139.7	38.4	0	0	0	0	0	113.3
3567	D	31.2	Very low	31.1	Very low	144.75 Å²	144.75	124.8 Å²	124.8	77%	0.774	72%	0.723	S	S	*	*				-172.5	142.5	75.8	-90.8	-35.7	0	0	0	110.9
3568	I	32.6	Very low	31	Very low	134.25 Å²	134.25	127.3 Å²	127.3	69%	0.688	72%	0.723	S	S	*	*				79.4	122.8	114.9	-64.5	164.7	0	0	0	116
3569	D	32.9	Very low	30.7	Very low	137 Å²	137	129.2 Å²	129.2	73%	0.733	73%	0.725	S	S	*	*				136.2	144.5	118.6	-101.4	-35	0	0	0	117.1	S3571 S3572	D3569-S3571 PolarHBondContact O-N 3.45Å; D3569-S3572 PolarHBondContact OD1-OG 3.03Å
3570	S	32.9	Very low	30.5	Very low	88.75 Å²	88.75	123.9 Å²	123.9	62%	0.621	71%	0.714	S	S	*	*			cis	-175.1	124.9	-9.1	-78	0	0	0	0	112.7	T3521	T3521-S3570 VanDerWaalsContact CB-O 3.27Å; T3521-S3570 WeakPolarHBondContact CB-O 3.16Å; T3521-S3570 PolarHBondContact OG1-O 3.02Å
3571	S	30.8	Very low	30.3	Very low	88.5 Å²	88.5	127.5 Å²	127.5	62%	0.619	72%	0.719	S	S	*	*				57.7	130.6	111.1	127.7	0	0	0	0	118.8	T3520 T3521 N3554 E3555 D3569	T3520-S3571 WeakPolarHBondContact CG2-O 3.34Å; T3521-S3571 WeakPolarHBondContact OG1-CB 3.47Å; T3521-S3571 PolarHBondContact OG1-O 2.89Å; N3554-S3571 WeakPolarHBondContact CB-OG 3.43Å; N3554-S3571 VanDerWaalsContact CG-OG 3.25Å; N3554-S3571 VanDerWaalsContact ND2-CB 3.34Å; N3554-S3571 WeakPolarHBondContact ND2-CB 3.48Å; N3554-S3571 PolarHBondContact ND2-OG 3.24Å; E3555-S3571 WeakPolarHBondContact CB-OG 3.39Å; E3555-S3571 PolarHBondContact N-OG 3.39Å; D3569-S3571 PolarHBondContact O-N 3.45Å
3572	S	33.2	Very low	30.1	Very low	71.5 Å²	71.5	128.2 Å²	128.2	50%	0.5	72%	0.723	S	S	.	*				172.4	122.9	117.8	-99.1	0	0	0	0	116	L3519 N3553 N3554 E3555 D3569	L3519-S3572 WeakPolarHBondContact CB-O 3.49Å; L3519-S3572 WeakPolarHBondContact CD2-OG 3.36Å; N3553-S3572 WeakPolarHBondContact CB-OG 3.42Å; N3554-S3572 WeakPolarHBondContact OD1-CA 3.38Å; N3554-S3572 WeakPolarHBondContact OD1-CB 3.31Å; N3554-S3572 PolarHBondContact OD1-OG 3.44Å; E3555-S3572 VanDerWaalsContact CB-CA 3.42Å; E3555-S3572 VanDerWaalsContact CD-N 3.31Å; E3555-S3572 WeakPolarHBondContact CG-O 3.37Å; E3555-S3572 PolarHBondContact OE2-N 2.85Å; D3569-S3572 PolarHBondContact OD1-OG 3.03Å
3573	Y	30.6	Very low	29.9	Very low	178 Å²	178	124.9 Å²	124.9	70%	0.698	72%	0.72	S	S	*	*			trans	111.9	146.5	142.9	-78.9	-75.9	0	0	0	117.9	R3518 L3519 N3554 E3555	R3518-Y3573 HydrophobicContact CG-CE2 3.94Å; R3518-Y3573 WeakPolarHBondContact CG-OH 3.23Å; L3519-Y3573 HydrophobicContact CD1-CD1 3.19Å; L3519-Y3573 HydrophobicContact CD1-CD2 4.33Å; L3519-Y3573 HydrophobicContact CD1-CE1 3.29Å; L3519-Y3573 HydrophobicContact CD1-CE2 4.41Å; L3519-Y3573 HydrophobicContact CD1-CG 3.73Å; N3554-Y3573 CarbonylContact C-O 3.53Å; N3554-Y3573 CarbonylContact O-C 2.93Å; N3554-Y3573 PolarHBondContact O-N 3.44Å; E3555-Y3573 VanDerWaalsContact CA-O 3.3Å; E3555-Y3573 WeakPolarHBondContact CA-O 3.25Å; E3555-Y3573 VanDerWaalsContact CB-N 3.28Å; E3555-Y3573 HydrophobicContact CG-CD2 3.76Å; E3555-Y3573 HydrophobicContact CG-CG 4.2Å; E3555-Y3573 VanDerWaalsContact OE1-CD2 3.26Å; E3555-Y3573 WeakPolarHBondContact OE1-CD2 3.42Å
3574	S	30.3	Very low	29.7	Very low	99.25 Å²	99.25	122.9 Å²	122.9	69%	0.694	72%	0.722	S	S	*	*				-136.6	154.1	103.8	47.3	0	0	0	0	116.5
3575	L	29.5	Very low	29.7	Very low	149 Å²	149	121.9 Å²	121.9	78%	0.78	72%	0.72	S	S	*	*			trans	54.2	139	149.1	-141.1	70.9	0	0	0	118.1	I3189 V3577	I3189-L3575 HydrophobicContact CD1-CD1 3.71Å; L3575-V3577 HydrophobicContact CD1-CG2 3.94Å; L3575-V3577 HydrophobicContact CD2-CG2 4.06Å; L3575-V3577 HydrophobicContact CG-CG2 3.68Å
3576	T	31.3	Very low	29.6	Very low	130.75 Å²	130.75	121.6 Å²	121.6	80%	0.802	72%	0.718	S	S	*	*			trans	-153.1	144.3	141.1	-44.5	0	0	0	0	110
3577	V	29.2	Very low	29.4	Very low	112.75 Å²	112.75	120.6 Å²	120.6	68%	0.683	72%	0.716	S	S	*	*			trans	-107.5	135.1	-171.7	158.7	0	0	0	0	113.4	L3575	L3575-V3577 HydrophobicContact CD1-CG2 3.94Å; L3575-V3577 HydrophobicContact CD2-CG2 4.06Å; L3575-V3577 HydrophobicContact CG-CG2 3.68Å
3578	N	28.2	Very low	29.4	Very low	142.5 Å²	142.5	120 Å²	120	76%	0.762	71%	0.713	S	S	*	*			trans	70.7	149.4	153.1	-83.7	-25.1	0	0	0	117.7
3579	N	26.9	Very low	29.2	Very low	147.5 Å²	147.5	121.8 Å²	121.8	79%	0.789	72%	0.716	S	S	*	*			trans	-72.3	145	149.7	-81.4	-30.1	0	0	0	115.9
3580	S	27.8	Very low	29.1	Very low	92.5 Å²	92.5	123.4 Å²	123.4	65%	0.647	72%	0.719	S	S	*	*			trans	84.3	123.9	130.2	59.6	0	0	0	0	116.2	T3582	S3580-T3582 PolarHBondContact O-N 3.41Å
3581	H	26.8	Very low	28.9	Very low	182 Å²	182	125.4 Å²	125.4	84%	0.843	72%	0.723	S	S	*	*			trans	59.6	112.8	144.2	-76.1	-85.1	0	0	0	117.3
3582	T	27	Very low	28.8	Very low	118.25 Å²	118.25	127.1 Å²	127.1	73%	0.725	73%	0.725	S	S	*	*				123.1	112.9	123.6	51	0	0	0	0	117.4	S3580	S3580-T3582 PolarHBondContact O-N 3.41Å
3583	S	25.6	Very low	28.6	Very low	106.75 Å²	106.75	129.7 Å²	129.7	75%	0.747	73%	0.733	S	S	*	*			trans	31.4	137.6	136.1	62.5	0	0	0	0	117.3
3584	V	25.7	Very low	28.5	Very low	137 Å²	137	127.7 Å²	127.7	83%	0.83	73%	0.734	S	S	*	*			trans	98.7	127.1	142.8	-174.6	0	0	0	0	112.8
3585	A	29.3	Very low	28.4	Very low	81.25 Å²	81.25	130.1 Å²	130.1	67%	0.671	74%	0.739	S	S	*	*				80.9	134.7	94.7	0	0	0	0	0	113.1
3586	T	29.6	Very low	28.3	Very low	126.75 Å²	126.75	130.1 Å²	130.1	78%	0.778	74%	0.739	S	S	*	*			cis	-150	144.6	14.5	3	0	0	0	0	111	L2889 N3588	L2889-T3586 HydrophobicContact CD1-CG2 4.14Å; T3586-N3588 PolarHBondContact O-ND2 3.5Å; T3586-N3588 VanDerWaalsContact O-ND2 3.15Å
3587	G	27.1	Very low	28.1	Very low	63 Å²	63	131.5 Å²	131.5	65%	0.649	74%	0.741	S	S	*	*			trans	-94.7	177.2	162.4	0	0	0	0	0	116.3
3588	N	30.8	Very low	28	Very low	131.75 Å²	131.75	131 Å²	131	71%	0.705	74%	0.743	S	S	*	*			trans	143.8	146.6	136.9	-105	-15.6	0	0	0	114	D2891 T3586	D2891-N3588 PolarHBondContact OD1-ND2 3.35Å; T3586-N3588 PolarHBondContact O-ND2 3.5Å; T3586-N3588 VanDerWaalsContact O-ND2 3.15Å
3589	F	28.5	Very low	28	Very low	173.25 Å²	173.25	130.3 Å²	130.3	76%	0.76	74%	0.743	S	S	*	*			trans	115	122.4	-175.3	-75.7	-82.8	0	0	0	114.9
3590	H	30.3	Very low	28.3	Very low	171.25 Å²	171.25	129.1 Å²	129.1	79%	0.793	74%	0.741	S	S	*	*				65.2	138.7	118.5	-84.8	78.6	0	0	0	117.2	Q3635	H3590-Q3635 PolarHBondContact CD2-NE2 2.96Å; H3590-Q3635 PolarHBondContact NE2-NE2 2.86Å; H3590-Q3635 VanDerWaalsContact NE2-NE2 3.16Å
3591	N	29.1	Very low	28.3	Very low	130.75 Å²	130.75	133 Å²	133	70%	0.699	75%	0.748	S	S	*	*				-174.9	146.4	127.6	-153	12.3	0	0	0	114.2	S3636	N3591-S3636 WeakPolarHBondContact OD1-CB 3.48Å; N3591-S3636 PolarHBondContact OD1-OG 3.44Å
3592	N	29.1	Very low	28.4	Very low	123.5 Å²	123.5	130.8 Å²	130.8	66%	0.66	75%	0.748	S	S	*	*			trans	5.1	148.4	154	-78.8	-21.5	0	0	0	116	S3636 N3637	N3592-S3636 CarbonylContact C-O 3.02Å; N3592-S3636 VanDerWaalsContact C-O 3.29Å; N3592-S3636 WeakPolarHBondContact CA-O 3.28Å; N3592-N3637 HydrophobicContact CB-CB 3.88Å; N3592-N3637 WeakPolarHBondContact OD1-CB 3.37Å; N3592-N3637 PolarHBondContact OD1-ND2 3.33Å
3593	N	29	Very low	28.5	Very low	126.75 Å²	126.75	134.2 Å²	134.2	68%	0.678	75%	0.753	S	S	*	*				-162	134.9	80.3	-104.3	-24.2	0	0	0	113	S3636 N3637	N3593-S3636 CarbonylContact C-O 3.36Å; N3593-S3636 WeakPolarHBondContact CA-O 3.28Å; N3593-S3636 PolarHBondContact N-O 3.05Å; N3593-N3637 HydrophobicContact CB-CB 4.16Å; N3593-N3637 PolarHBondContact ND2-OD1 3.47Å; N3593-N3637 WeakPolarHBondContact OD1-CB 3.41Å; N3593-N3637 PolarHBondContact OD1-OD1 2.98Å
3594	N	28.2	Very low	28.7	Very low	135.75 Å²	135.75	136.7 Å²	136.7	73%	0.726	76%	0.758	S	S	*	*			trans	-151.3	138.9	132.7	-76.7	-36.9	0	0	0	114.5	S3636	N3594-S3636 PolarHBondContact OD1-N 2.94Å
3595	N	27.5	Very low	28.8	Very low	149 Å²	149	135 Å²	135	80%	0.797	75%	0.752	S	S	*	*			trans	138.2	127.8	155.1	-104	-14	0	0	0	117.8
3596	L	27.3	Very low	28.8	Very low	148.5 Å²	148.5	136.9 Å²	136.9	78%	0.777	76%	0.755	S	S	*	*			trans	48.2	128.6	154.1	-81.8	141.4	0	0	0	119.1
3597	L	28.2	Very low	28.9	Very low	160.75 Å²	160.75	137 Å²	137	84%	0.842	76%	0.756	S	S	*	*			trans	44.9	132.1	150.6	-100.2	72.1	0	0	0	119.3
3598	S	26.9	Very low	29.1	Very low	103 Å²	103	140.9 Å²	140.9	72%	0.72	76%	0.761	S	S	*	*			trans	151.9	127	146.2	-170.2	0	0	0	0	116
3599	V	28.6	Very low	29.2	Very low	127.5 Å²	127.5	143.5 Å²	143.5	77%	0.773	77%	0.767	S	S	*	*			trans	32.4	117.1	152.2	178.5	0	0	0	0	116.4
3600	V	31.2	Very low	29.5	Very low	121.75 Å²	121.75	142.5 Å²	142.5	74%	0.738	77%	0.768	S	S	*	*			trans	137.8	133.1	141.4	154.5	0	0	0	0	116.9
3601	H	29.8	Very low	29.6	Very low	174 Å²	174	140.8 Å²	140.8	81%	0.806	76%	0.764	S	S	*	*			trans	-44.2	135.3	164.9	-69.2	-70.6	0	0	0	118.5
3602	T	28.6	Very low	29.7	Very low	136.667 Å²	136.667	140.2 Å²	140.2	84%	0.838	77%	0.767	S	S	*	*			trans	-110.1	143.7	151.6	-14.2	0	0	0	0	111
3603	K	28.6	Very low	29.8	Very low	189.333 Å²	189.333	140.9 Å²	140.9	82%	0.823	77%	0.77	S	S	*	*			trans	-171.1	124.6	144.1	-88.1	177	178.8	176.6	0	113.9
3604	N	29	Very low	29.7	Very low	159.333 Å²	159.333	144.1 Å²	144.1	85%	0.852	77%	0.774	S	S	*	*			trans	94	123.5	150.9	-85.1	-5.5	0	0	0	117.9
3605	S	28.3	Very low	29.9	Very low	100.333 Å²	100.333	145.3 Å²	145.3	70%	0.702	78%	0.78	S	S	*	*				64.5	109.8	116.2	-163.1	0	0	0	0	118.1
3606	T	29.6	Very low	30	Very low	121.667 Å²	121.667	148.6 Å²	148.6	75%	0.746	78%	0.781	S	S	*	*			trans	53.2	122.5	148.4	59.8	0	0	0	0	119.9
3607	V	32	Very low	30.2	Very low	130 Å²	130	146.6 Å²	146.6	79%	0.788	78%	0.78	S	S	*	*			trans	97.5	123.4	140.8	179.2	0	0	0	0	116.1
3608	N	31.3	Very low	30.4	Very low	143.333 Å²	143.333	144.9 Å²	144.9	77%	0.766	77%	0.772	S	S	*	*			trans	-145.2	149.3	157.8	-85.5	-40.7	0	0	0	114.5
3609	K	32.6	Very low	30.8	Very low	187 Å²	187	146.5 Å²	146.5	81%	0.813	77%	0.772	S	S	*	*			trans	51.6	131.4	138.1	-65.7	174.2	178	-177.5	0	114.1
3610	I	33.5	Very low	31	Very low	153.333 Å²	153.333	147 Å²	147	79%	0.786	77%	0.77	S	S	*	*				-153.7	132.5	99.8	-69.3	169.3	0	0	0	110.4	I3613	I3610-I3613 HydrophobicContact CG2-CD1 3.76Å; I3610-I3613 HydrophobicContact CG2-CG1 3.81Å
3611	D	33.5	Very low	31.1	Very low	134.667 Å²	134.667	149.8 Å²	149.8	72%	0.72	78%	0.775	S	S	*	*			trans	-64.5	163.1	163.1	-56	-53.8	0	0	0	114.6	I3613	D3611-I3613 VanDerWaalsContact C-N 3.34Å; D3611-I3613 HydrophobicContact CB-CG1 4.17Å; D3611-I3613 PolarHBondContact O-N 3.41Å
3612	P	31.7	Very low	31.2	Very low	117 Å²	117	146.2 Å²	146.2	76%	0.76	77%	0.77	S	S	*	*			trans	-103.3	143.2	145.1	38.4	-32	0	0	0	114.3	Y3614	P3612-Y3614 PolarHBondContact O-N 3.23Å
3613	I	30.4	Very low	31.5	Very low	139.667 Å²	139.667	147.2 Å²	147.2	72%	0.716	77%	0.769	S	S	*	*			trans	-88.7	136.6	164.8	-72.4	146	0	0	0	114.9	I3610 D3611	I3610-I3613 HydrophobicContact CG2-CD1 3.76Å; I3610-I3613 HydrophobicContact CG2-CG1 3.81Å; D3611-I3613 VanDerWaalsContact C-N 3.34Å; D3611-I3613 HydrophobicContact CB-CG1 4.17Å; D3611-I3613 PolarHBondContact O-N 3.41Å
3614	Y	28	Very low	31.7	Very low	193 Å²	193	143.9 Å²	143.9	76%	0.757	76%	0.764	S	S	*	*			trans	45.8	134.2	165.7	-75.1	-106.5	0	0	0	115.1	P3612 R3616	P3612-Y3614 PolarHBondContact O-N 3.23Å; Y3614-R3616 HydrophobicContact CD1-CB 4.36Å; Y3614-R3616 HydrophobicContact CD1-CG 4.33Å
3615	N	32.3	Very low	31.9	Very low	161 Å²	161	142.7 Å²	142.7	86%	0.861	76%	0.758	S	S	*	*				-167.2	122.9	61.5	-132.3	-21.3	0	0	0	112.7
3616	R	28.4	Very low	32.1	Very low	218.333 Å²	218.333	145.6 Å²	145.6	82%	0.824	76%	0.758	S	S	*	*			trans	-137.1	124.1	180	-159.1	-175.5	-167.6	-177.4	3.5	111.3	Y3614	Y3614-R3616 HydrophobicContact CD1-CB 4.36Å; Y3614-R3616 HydrophobicContact CD1-CG 4.33Å
3617	S	32.6	Very low	32.3	Very low	106 Å²	106	146.9 Å²	146.9	74%	0.741	76%	0.76	S	S	*	*			trans	179.8	130.5	171.4	148.9	0	0	0	0	111.4
3618	N	31.5	Very low	32.1	Very low	126.333 Å²	126.333	149 Å²	149	68%	0.676	76%	0.761	S	S	*	*				-144.8	152.2	67.9	-74.7	-7.5	0	0	0	110.3
3619	N	35	Very low	32.2	Very low	137 Å²	137	147.7 Å²	147.7	73%	0.733	76%	0.758	S	S	*	*				78.5	101.8	123.5	-73.9	17.9	0	0	0	112
3620	D	33.4	Very low	32	Very low	136.333 Å²	136.333	145.3 Å²	145.3	73%	0.729	76%	0.755	S	S	*	*				87.5	133.3	102.6	-58.1	-25.9	0	0	0	112.1
3621	E	34.2	Very low	31.9	Very low	180.667 Å²	180.667	145.8 Å²	145.8	84%	0.844	75%	0.751	S	S	*	*			cis	179.9	160.6	22	-128.5	-170.7	170.7	0	0	111.1
3622	S	31.8	Very low	31.8	Very low	100 Å²	100	144.2 Å²	144.2	70%	0.699	75%	0.751	S	S	*	*			trans	59.8	120.3	164.5	104.5	0	0	0	0	116.3
3623	I	34.2	Very low	31.9	Very low	157.667 Å²	157.667	146.4 Å²	146.4	81%	0.809	75%	0.748	S	S	*	*				98.4	125.8	100.2	-69.7	155	0	0	0	112.9
3624	T	31.7	Very low	31.9	Very low	118.333 Å²	118.333	146 Å²	146	73%	0.726	75%	0.748	S	S	*	*			trans	-33.8	142.2	173.6	57.7	0	0	0	0	113
3625	D	34.4	Very low	31.9	Very low	135.333 Å²	135.333	144.2 Å²	144.2	72%	0.724	75%	0.746	S	S	*	*				-134.6	142.2	121.5	-122.8	-26.5	0	0	0	112.8
3626	K	33.3	Very low	31.7	Very low	160.667 Å²	160.667	140 Å²	140	70%	0.699	73%	0.73	S	S	*	*			trans	48.5	106.3	150.8	-64.8	168.6	-169.1	140.5	0	116.2
3627	N	32.1	Very low	31.8	Very low	148.667 Å²	148.667	135.1 Å²	135.1	80%	0.795	72%	0.719	S	S	*	*				176.9	128.3	124.9	-77.2	-44.2	0	0	0	114.1
3628	H	29.1	Very low	31.5	Very low	174 Å²	174	135.7 Å²	135.7	81%	0.806	72%	0.719	S	S	*	*				74	135.5	118.7	-101.2	-83.5	0	0	0	118.2
3629	V	32.4	Very low	31.4	Very low	116.667 Å²	116.667	135.6 Å²	135.6	71%	0.707	72%	0.723	S	S	*	*			trans	94.9	122.7	154.8	-156.1	0	0	0	0	113.4	F3631	V3629-F3631 HydrophobicContact CG1-CD2 3.91Å; V3629-F3631 HydrophobicContact CG1-CE2 3.92Å
3630	N	29.6	Very low	31.1	Very low	137.333 Å²	137.333	133.3 Å²	133.3	73%	0.734	72%	0.718	S	S	*	*				-146.8	138.8	83	-82.7	-33.2	0	0	0	114.3
3631	F	31.5	Very low	31.1	Very low	163.333 Å²	163.333	133.8 Å²	133.8	72%	0.716	72%	0.721	S	S	*	*			trans	42.7	128.9	159.4	-70.4	-72.9	0	0	0	117.1	V3629	V3629-F3631 HydrophobicContact CG1-CD2 3.91Å; V3629-F3631 HydrophobicContact CG1-CE2 3.92Å
3632	S	30.7	Very low	31.1	Very low	101.667 Å²	101.667	130.2 Å²	130.2	71%	0.711	72%	0.715	S	S	*	*				160.8	142	116.1	67.7	0	0	0	0	112.3
3633	K	32.7	Very low	31.1	Very low	161.667 Å²	161.667	133 Å²	133	70%	0.703	72%	0.722	S	S	*	*			trans	174.7	136.2	176.1	-108.5	175.3	-178.4	176.4	0	110.5
3634	N	30.4	Very low	30.9	Very low	132.667 Å²	132.667	130.1 Å²	130.1	71%	0.709	72%	0.716	S	S	*	*			trans	28.4	124.5	132.8	-64.9	2.4	0	0	0	114.6
3635	Q	29.1	Very low	30.9	Very low	154.333 Å²	154.333	133 Å²	133	72%	0.721	72%	0.721	S	S	*	*				95.9	134.4	113.6	-87.7	177	-15.9	0	0	115.4	H3590	H3590-Q3635 PolarHBondContact CD2-NE2 2.96Å; H3590-Q3635 PolarHBondContact NE2-NE2 2.86Å; H3590-Q3635 VanDerWaalsContact NE2-NE2 3.16Å
3636	S	28.1	Very low	31	Very low	74 Å²	74	132.4 Å²	132.4	52%	0.517	72%	0.718	S	S	.	*			trans	124.9	146.5	145.3	51.5	0	0	0	0	114.2	N3591 N3592 N3593 N3594	N3591-S3636 WeakPolarHBondContact OD1-CB 3.48Å; N3591-S3636 PolarHBondContact OD1-OG 3.44Å; N3592-S3636 CarbonylContact C-O 3.02Å; N3592-S3636 VanDerWaalsContact C-O 3.29Å; N3592-S3636 WeakPolarHBondContact CA-O 3.28Å; N3593-S3636 CarbonylContact C-O 3.36Å; N3593-S3636 WeakPolarHBondContact CA-O 3.28Å; N3593-S3636 PolarHBondContact N-O 3.05Å; N3594-S3636 PolarHBondContact OD1-N 2.94Å
3637	N	29.6	Very low	31	Very low	113.667 Å²	113.667	133.5 Å²	133.5	61%	0.608	73%	0.725	S	S	*	*			trans	151.8	148.6	140.3	-108.1	-17.9	0	0	0	114.1	N3592 N3593	N3592-N3637 HydrophobicContact CB-CB 3.88Å; N3592-N3637 WeakPolarHBondContact OD1-CB 3.37Å; N3592-N3637 PolarHBondContact OD1-ND2 3.33Å; N3593-N3637 HydrophobicContact CB-CB 4.16Å; N3593-N3637 PolarHBondContact ND2-OD1 3.47Å; N3593-N3637 WeakPolarHBondContact OD1-CB 3.41Å; N3593-N3637 PolarHBondContact OD1-OD1 2.98Å
3638	T	27.1	Very low	31.1	Very low	119 Å²	119	134 Å²	134	73%	0.73	73%	0.727	S	S	*	*			trans	-165.1	151.7	170.3	50.7	0	0	0	0	112.1
3639	T	28.5	Very low	31.2	Very low	124 Å²	124	132.9 Å²	132.9	76%	0.761	73%	0.727	S	S	*	*			trans	152.5	140.1	133.3	20.3	0	0	0	0	112.6
3640	S	29.7	Very low	31.1	Very low	90 Å²	90	132.7 Å²	132.7	63%	0.629	73%	0.729	S	S	*	*				119.1	135.8	104	-79.3	0	0	0	0	117.2
3641	D	33	Very low	31	Very low	146.333 Å²	146.333	131.5 Å²	131.5	78%	0.783	73%	0.727	S	S	*	*				87.4	115.1	124.4	-54.9	-25.8	0	0	0	117
3642	S	33.6	Very low	30.9	Very low	104.333 Å²	104.333	131 Å²	131	73%	0.73	73%	0.731	S	S	*	*				-164.2	140.2	99.2	51	0	0	0	0	112.2
3643	N	31.8	Very low	30.9	Very low	159.667 Å²	159.667	132.7 Å²	132.7	85%	0.854	73%	0.73	S	S	*	*			trans	39.3	128.2	163.9	-64.4	-26.8	0	0	0	117.2
3644	S	31.1	Very low	30.8	Very low	96 Å²	96	133.2 Å²	133.2	67%	0.671	74%	0.737	S	S	*	*			trans	-121.1	143.6	150.4	50.9	0	0	0	0	111.1
3645	H	32	Very low	30.8	Very low	180 Å²	180	135.3 Å²	135.3	83%	0.833	74%	0.743	S	S	*	*			trans	-132.5	140.1	161	-108.3	-64.1	0	0	0	113
3646	D	35.8	Very low	30.8	Very low	122.333 Å²	122.333	135.8 Å²	135.8	65%	0.654	75%	0.745	S	S	*	*			trans	-97.7	144.5	-143.6	-72.6	-60.6	0	0	0	112.9	L3648	D3646-L3648 PolarHBondContact O-N 2.85Å
3647	Q	32.7	Very low	31.1	Very low	184.333 Å²	184.333	139.5 Å²	139.5	86%	0.861	76%	0.759	S	S	*	*			trans	-109.8	91.7	137.5	-115.7	-178.4	35.8	0	0	112	N3649	Q3647-N3649 PolarHBondContact O-N 3.14Å; Q3647-N3649 VanDerWaalsContact O-N 3.08Å
3648	L	35.1	Very low	31	Very low	159.333 Å²	159.333	141.6 Å²	141.6	83%	0.834	76%	0.763	S	S	*	*			trans	-99.9	93.3	161.3	-82.9	173.4	0	0	0	110.9	D3646 C3650	D3646-L3648 PolarHBondContact O-N 2.85Å; L3648-C3650 VanDerWaalsContact C-N 3.33Å; L3648-C3650 PolarHBondContact O-N 3.3Å
3649	N	31.4	Very low	31.1	Very low	150 Å²	150	142.8 Å²	142.8	80%	0.802	77%	0.765	S	S	*	*			trans	-86.8	94.3	177.5	-134.2	-5.1	0	0	0	110.8	Q3647 T3651	Q3647-N3649 PolarHBondContact O-N 3.14Å; Q3647-N3649 VanDerWaalsContact O-N 3.08Å; N3649-T3651 PolarHBondContact O-N 3.41Å; N3649-T3651 VanDerWaalsContact O-N 3.11Å
3650	C	28.5	Very low	31.3	Very low	111.667 Å²	111.667	144.3 Å²	144.3	76%	0.755	76%	0.764	S	S	*	*			trans	-86.3	82.2	178.9	-71	0	0	0	0	111.9	L3648 I3652	L3648-C3650 VanDerWaalsContact C-N 3.33Å; L3648-C3650 PolarHBondContact O-N 3.3Å; C3650-I3652 PolarHBondContact O-N 3.03Å; C3650-I3652 VanDerWaalsContact O-N 3.13Å
3651	T	28.3	Very low	31.2	Very low	112.667 Å²	112.667	148 Å²	148	69%	0.691	77%	0.77	S	S	*	*			trans	-74.8	105.6	168.8	-58	0	0	0	0	109.6	N3649 I3653	N3649-T3651 PolarHBondContact O-N 3.41Å; N3649-T3651 VanDerWaalsContact O-N 3.11Å; T3651-I3653 HydrophobicContact CG2-CB 4.34Å; T3651-I3653 HydrophobicContact CG2-CD1 3.74Å; T3651-I3653 HydrophobicContact CG2-CG1 3.9Å; T3651-I3653 PolarHBondContact O-N 2.98Å; T3651-I3653 VanDerWaalsContact O-N 3.07Å
3652	I	30.5	Very low	31.1	Very low	153.333 Å²	153.333	149.2 Å²	149.2	79%	0.786	77%	0.772	S	S	*	*			trans	-80.3	101.3	170.1	-58.3	177	0	0	0	108.1	C3650 M3654	C3650-I3652 PolarHBondContact O-N 3.03Å; C3650-I3652 VanDerWaalsContact O-N 3.13Å; I3652-M3654 HydrophobicContact CG2-CG 4.36Å
3653	I	29.8	Very low	30.9	Very low	136.333 Å²	136.333	152.2 Å²	152.2	70%	0.699	77%	0.774	S	S	*	*			trans	-83.9	123	164.8	-62.7	174.5	0	0	0	107.1	T3651 E3655	T3651-I3653 HydrophobicContact CG2-CB 4.34Å; T3651-I3653 HydrophobicContact CG2-CD1 3.74Å; T3651-I3653 HydrophobicContact CG2-CG1 3.9Å; T3651-I3653 PolarHBondContact O-N 2.98Å; T3651-I3653 VanDerWaalsContact O-N 3.07Å; I3653-E3655 HydrophobicContact CG2-CB 3.73Å; I3653-E3655 HydrophobicContact CG2-CG 3.6Å; I3653-E3655 PolarHBondContact O-N 2.92Å
3654	M	30.2	Very low	30.8	Very low	172.333 Å²	172.333	149.8 Å²	149.8	85%	0.849	77%	0.769	S	S	*	*			trans	-88.2	110.6	165.1	-61.4	-175	-65.2	0	0	107.6	I3652	I3652-M3654 HydrophobicContact CG2-CG 4.36Å
3655	E	30.3	Very low	30.8	Very low	177 Å²	177	149.7 Å²	149.7	83%	0.827	78%	0.775	S	S	*	*			trans	-55.1	116.9	147.2	-114.8	174.3	-168.3	0	0	111.2	I3653 D3657	I3653-E3655 HydrophobicContact CG2-CB 3.73Å; I3653-E3655 HydrophobicContact CG2-CG 3.6Å; I3653-E3655 PolarHBondContact O-N 2.92Å; E3655-D3657 PolarHBondContact O-N 2.86Å
3656	Q	30.3	Very low	30.9	Very low	165.667 Å²	165.667	147 Å²	147	77%	0.774	77%	0.771	S	S	*	*			trans	-122.7	80.2	176.6	-150.5	176.7	10.5	0	0	112.5	F3658	Q3656-F3658 HydrophobicContact CB-CD2 4.13Å; Q3656-F3658 HydrophobicContact CB-CE2 4.28Å; Q3656-F3658 HydrophobicContact CG-CD2 4.43Å; Q3656-F3658 HydrophobicContact CG-CE2 4.26Å; Q3656-F3658 PolarHBondContact O-N 3.46Å; Q3656-F3658 VanDerWaalsContact O-N 3.14Å
3657	D	32.8	Very low	30.6	Very low	152.333 Å²	152.333	145.3 Å²	145.3	82%	0.815	77%	0.774	S	S	*	*			trans	-71.4	94.5	175.1	-85.5	-48.1	0	0	0	112.2	E3655 N3659	E3655-D3657 PolarHBondContact O-N 2.86Å; D3657-N3659 HydrophobicContact CB-CB 4.29Å
3658	F	28.8	Very low	30.7	Very low	156 Å²	156	143.3 Å²	143.3	68%	0.684	77%	0.769	S	S	*	*			trans	-100.7	116.1	164.2	-99.3	-100	0	0	0	109.5	Q3656 Q3660	Q3656-F3658 HydrophobicContact CB-CD2 4.13Å; Q3656-F3658 HydrophobicContact CB-CE2 4.28Å; Q3656-F3658 HydrophobicContact CG-CD2 4.43Å; Q3656-F3658 HydrophobicContact CG-CE2 4.26Å; Q3656-F3658 PolarHBondContact O-N 3.46Å; Q3656-F3658 VanDerWaalsContact O-N 3.14Å; F3658-Q3660 HydrophobicContact CD1-CB 3.59Å; F3658-Q3660 HydrophobicContact CD1-CG 3.61Å; F3658-Q3660 HydrophobicContact CE1-CB 3.94Å; F3658-Q3660 HydrophobicContact CE1-CG 3.73Å; F3658-Q3660 HydrophobicContact CG-CB 4.31Å; F3658-Q3660 HydrophobicContact CG-CG 4.04Å; F3658-Q3660 HydrophobicContact CZ-CG 4.27Å
3659	N	29.5	Very low	30.5	Very low	144.333 Å²	144.333	142.5 Å²	142.5	77%	0.772	77%	0.765	S	S	*	*				93.1	73.2	129.3	-72.3	-46.4	0	0	0	116.6	D3657	D3657-N3659 HydrophobicContact CB-CB 4.29Å
3660	Q	31.1	Very low	30.5	Very low	157 Å²	157	142.8 Å²	142.8	73%	0.734	76%	0.761	S	S	*	*				-148.6	124.9	121.2	-92.1	177.5	69	0	0	109.7	F3658 Q3662	F3658-Q3660 HydrophobicContact CD1-CB 3.59Å; F3658-Q3660 HydrophobicContact CD1-CG 3.61Å; F3658-Q3660 HydrophobicContact CE1-CB 3.94Å; F3658-Q3660 HydrophobicContact CE1-CG 3.73Å; F3658-Q3660 HydrophobicContact CG-CB 4.31Å; F3658-Q3660 HydrophobicContact CG-CG 4.04Å; F3658-Q3660 HydrophobicContact CZ-CG 4.27Å; Q3660-Q3662 VanDerWaalsContact C-N 3.3Å
3661	H	28.4	Very low	30.6	Very low	166.667 Å²	166.667	148 Å²	148	77%	0.772	77%	0.765	S	S	*	*			trans	-84.5	83.5	156.5	-151.5	85.7	0	0	0	110.5	Q3663	H3661-Q3663 PolarHBondContact CD2-NE2 3.27Å; H3661-Q3663 PolarHBondContact NE2-NE2 3.32Å
3662	Q	30.5	Very low	30.7	Very low	172.333 Å²	172.333	148.2 Å²	148.2	81%	0.805	77%	0.766	S	S	*	*			trans	-117.6	131.9	154.1	-84	-175	65.8	0	0	109.2	Q3660	Q3660-Q3662 VanDerWaalsContact C-N 3.3Å
3663	Q	29.4	Very low	30.8	Very low	167.333 Å²	167.333	147.1 Å²	147.1	78%	0.782	77%	0.766	S	S	*	*			trans	-66.3	99.1	175.5	-60	173.1	1.9	0	0	111.9	H3661	H3661-Q3663 PolarHBondContact CD2-NE2 3.27Å; H3661-Q3663 PolarHBondContact NE2-NE2 3.32Å
3664	S	31	Very low	30.9	Very low	108 Å²	108	145.3 Å²	145.3	76%	0.755	77%	0.765	S	S	*	*			trans	-127.5	101	148.7	-174.6	0	0	0	0	108.2	V3666	S3664-V3666 PolarHBondContact O-N 2.95Å
3665	A	29.4	Very low	31	Very low	95 Å²	95	144.3 Å²	144.3	79%	0.785	76%	0.762	S	S	*	*			trans	-62	80.4	163.9	0	0	0	0	0	112.3	A3667	A3665-A3667 PolarHBondContact O-N 3.44Å
3666	V	33.9	Very low	31	Very low	123 Å²	123	139.5 Å²	139.5	75%	0.745	75%	0.753	S	S	*	*			trans	-113.8	107	159.3	-174.6	0	0	0	0	107.5	S3664 N3668	S3664-V3666 PolarHBondContact O-N 2.95Å; V3666-N3668 PolarHBondContact O-N 3.25Å
3667	A	31.3	Very low	31.1	Very low	87 Å²	87	138.1 Å²	138.1	72%	0.719	75%	0.75	S	S	*	*			trans	-33.6	99.3	155.3	0	0	0	0	0	113.1	A3665 L3669	A3665-A3667 PolarHBondContact O-N 3.44Å; A3667-L3669 VanDerWaalsContact C-N 3.29Å; A3667-L3669 PolarHBondContact O-N 3.02Å
3668	N	33.2	Very low	30.9	Very low	142.667 Å²	142.667	135.5 Å²	135.5	76%	0.763	74%	0.744	S	S	*	*			trans	-110.8	100	155.9	-85.7	-25.9	0	0	0	107.6	V3666 H3670	V3666-N3668 PolarHBondContact O-N 3.25Å; N3668-H3670 VanDerWaalsContact C-N 3.28Å; N3668-H3670 PolarHBondContact O-CD2 2.89Å; N3668-H3670 PolarHBondContact O-N 2.95Å; N3668-H3670 VanDerWaalsContact O-N 3.15Å
3669	L	30.9	Very low	31.1	Very low	142.333 Å²	142.333	136 Å²	136	75%	0.745	75%	0.749	S	S	*	*			trans	-52.1	104	151.7	-169.8	71.6	0	0	0	110.7	A3667 R3671	A3667-L3669 VanDerWaalsContact C-N 3.29Å; A3667-L3669 PolarHBondContact O-N 3.02Å; L3669-R3671 HydrophobicContact CD2-CG 4.41Å; L3669-R3671 HydrophobicContact CG-CG 4.44Å; L3669-R3671 PolarHBondContact O-N 3.23Å
3670	H	32.3	Very low	31.2	Very low	156.667 Å²	156.667	136.1 Å²	136.1	73%	0.725	75%	0.754	S	S	*	*			trans	-34.7	109.5	175	-68	-124.2	0	0	0	110.8	N3668 T3672	N3668-H3670 VanDerWaalsContact C-N 3.28Å; N3668-H3670 PolarHBondContact O-CD2 2.89Å; N3668-H3670 PolarHBondContact O-N 2.95Å; N3668-H3670 VanDerWaalsContact O-N 3.15Å; H3670-T3672 VanDerWaalsContact C-N 3.34Å; H3670-T3672 PolarHBondContact O-N 3.25Å
3671	R	30.3	Very low	31.2	Very low	220.333 Å²	220.333	134.2 Å²	134.2	83%	0.831	76%	0.759	S	S	*	*			trans	-99.7	103.9	164.5	-99.5	-176.2	-179.3	-175.2	0.4	109	L3669 V3673	L3669-R3671 HydrophobicContact CD2-CG 4.41Å; L3669-R3671 HydrophobicContact CG-CG 4.44Å; L3669-R3671 PolarHBondContact O-N 3.23Å; R3671-V3673 PolarHBondContact O-N 3.04Å
3672	T	31	Very low	31.3	Very low	116.667 Å²	116.667	130.2 Å²	130.2	72%	0.716	76%	0.763	S	S	*	*			trans	-64.1	118.6	164.8	44.8	0	0	0	0	109.8	H3670 S3674	H3670-T3672 VanDerWaalsContact C-N 3.34Å; H3670-T3672 PolarHBondContact O-N 3.25Å; T3672-S3674 PolarHBondContact O-N 2.84Å
3673	V	33.1	Very low	31.3	Very low	129.667 Å²	129.667	125.4 Å²	125.4	79%	0.786	76%	0.759	S	S	*	*			trans	-91.9	105.7	157.7	-179.5	0	0	0	0	106.6	R3671 I3675	R3671-V3673 PolarHBondContact O-N 3.04Å; V3673-I3675 VanDerWaalsContact C-N 3.27Å; V3673-I3675 HydrophobicContact CG1-CG1 4.02Å; V3673-I3675 PolarHBondContact O-N 3.1Å; V3673-I3675 VanDerWaalsContact O-N 3.1Å
3674	S	30.7	Very low	31.2	Very low	98.3333 Å²	98.3333	128.7 Å²	128.7	69%	0.688	76%	0.764	S	S	*	*			trans	-86.8	107	175	-58.7	0	0	0	0	109.2	T3672 A3676	T3672-S3674 PolarHBondContact O-N 2.84Å; S3674-A3676 VanDerWaalsContact C-N 3.29Å; S3674-A3676 PolarHBondContact O-N 3.22Å
3675	I	32.7	Very low	31.5	Very low	151.667 Å²	151.667	128.7 Å²	128.7	78%	0.778	76%	0.764	S	S	*	*			trans	-93.4	101.6	163.1	-57.3	179.2	0	0	0	104.6	V3673 D3677	V3673-I3675 VanDerWaalsContact C-N 3.27Å; V3673-I3675 HydrophobicContact CG1-CG1 4.02Å; V3673-I3675 PolarHBondContact O-N 3.1Å; V3673-I3675 VanDerWaalsContact O-N 3.1Å; I3675-D3677 PolarHBondContact O-N 2.73Å
3676	A	31	Very low	31.7	Very low	77 Å²	77	132.2 Å²	132.2	64%	0.636	76%	0.764	S	S	*	*			trans	-53.5	128.1	155.2	0	0	0	0	0	110.5	S3674 S3678	S3674-A3676 VanDerWaalsContact C-N 3.29Å; S3674-A3676 PolarHBondContact O-N 3.22Å; A3676-S3678 PolarHBondContact O-N 3.22Å
3677	D	30.9	Very low	31.7	Very low	135.333 Å²	135.333	135.9 Å²	135.9	72%	0.724	77%	0.766	S	S	*	*			trans	-36.3	93.2	175.7	-60.5	-46.3	0	0	0	112.2	I3675 H3679	I3675-D3677 PolarHBondContact O-N 2.73Å; D3677-H3679 VanDerWaalsContact C-N 3.31Å; D3677-H3679 PolarHBondContact O-CD2 3.29Å; D3677-H3679 PolarHBondContact O-N 3.34Å; D3677-H3679 PolarHBondContact O-NE2 2.77Å
3678	S	30.1	Very low	32.1	Very low	98.3333 Å²	98.3333	138.8 Å²	138.8	69%	0.688	77%	0.77	S	S	*	*			trans	-56.6	100	150.8	77.6	0	0	0	0	111.2	A3676 T3680	A3676-S3678 PolarHBondContact O-N 3.22Å; S3678-T3680 PolarHBondContact O-N 2.94Å
3679	H	31.4	Very low	32.3	Very low	166.667 Å²	166.667	138.5 Å²	138.5	77%	0.772	77%	0.768	S	S	*	*			trans	-24.4	117.3	174.7	-43	-69.1	0	0	0	114.6	D3677 S3681	D3677-H3679 VanDerWaalsContact C-N 3.31Å; D3677-H3679 PolarHBondContact O-CD2 3.29Å; D3677-H3679 PolarHBondContact O-N 3.34Å; D3677-H3679 PolarHBondContact O-NE2 2.77Å; H3679-S3681 PolarHBondContact O-N 3.12Å
3680	T	32	Very low	32.6	Very low	145.333 Å²	145.333	137.2 Å²	137.2	89%	0.892	77%	0.766	S	S	*	*			trans	-100.7	69.5	166.4	48.3	0	0	0	0	111.9	S3678 G3682	S3678-T3680 PolarHBondContact O-N 2.94Å; T3680-G3682 PolarHBondContact O-N 3.18Å
3681	S	32.6	Very low	32.8	Very low	118.667 Å²	118.667	136.8 Å²	136.8	83%	0.83	77%	0.769	S	S	*	*			trans	-75.7	116.3	163.8	55	0	0	0	0	110.3	H3679 G3683	H3679-S3681 PolarHBondContact O-N 3.12Å; S3681-G3683 PolarHBondContact O-N 3.23Å
3682	G	29.5	Very low	33.1	Very low	82.6667 Å²	82.6667	135.3 Å²	135.3	85%	0.852	77%	0.769	S	S	*	*			trans	-172.1	114.4	172.3	0	0	0	0	0	113.4	T3680	T3680-G3682 PolarHBondContact O-N 3.18Å
3683	G	29.9	Very low	33.3	Very low	70.3333 Å²	70.3333	135.3 Å²	135.3	73%	0.725	77%	0.773	S	S	*	*			trans	-147.6	101.8	172.3	0	0	0	0	0	114.5	S3681 S3685	S3681-G3683 PolarHBondContact O-N 3.23Å; G3683-S3685 PolarHBondContact O-N 3.06Å
3684	R	28.8	Very low	33.1	Very low	237.667 Å²	237.667	132.3 Å²	132.3	90%	0.897	77%	0.769	S	S	*	*			trans	-67.1	99.1	158.4	-61.6	176	69.6	-176.5	0.5	110.2	E3686	R3684-E3686 PolarHBondContact O-N 2.83Å
3685	S	35.7	Very low	33.1	Very low	107.667 Å²	107.667	136.8 Å²	136.8	75%	0.753	78%	0.776	S	S	*	*				-58.5	93.3	129.4	-88.1	0	0	0	0	109.8	G3683	G3683-S3685 PolarHBondContact O-N 3.06Å
3686	E	33.7	Very low	33.1	Very low	167.667 Å²	167.667	137.7 Å²	137.7	78%	0.783	78%	0.777	S	S	*	*			trans	-40.4	141.2	164.6	-133.7	163.8	-168.9	0	0	113.3	R3684 D3688	R3684-E3686 PolarHBondContact O-N 2.83Å; E3686-D3688 PolarHBondContact O-N 2.95Å
3687	Y	34.6	Very low	33.2	Very low	200.667 Å²	200.667	139.8 Å²	139.8	79%	0.787	78%	0.782	S	S	*	*			trans	-47.6	113.6	-177	-66.9	-88.8	0	0	0	113.5	N3689	Y3687-N3689 PolarHBondContact O-N 2.84Å
3688	D	39.4	Very low	33.4	Very low	148 Å²	148	140.8 Å²	140.8	79%	0.791	78%	0.783	S	S	*	*			trans	-101.5	107.3	145.9	-163.9	9.5	0	0	0	110.8	E3686 V3690	E3686-D3688 PolarHBondContact O-N 2.95Å; D3688-V3690 PolarHBondContact O-N 3.05Å; D3688-V3690 WeakPolarHBondContact OD1-CG2 3.49Å
3689	N	37.1	Very low	33.5	Very low	136.333 Å²	136.333	142.8 Å²	142.8	73%	0.729	79%	0.786	S	S	*	*			trans	-95	100.5	177.6	-83.3	-45.5	0	0	0	109.7	Y3687 D3691	Y3687-N3689 PolarHBondContact O-N 2.84Å; N3689-D3691 PolarHBondContact O-N 2.92Å
3690	V	38.7	Very low	33.5	Very low	116.333 Å²	116.333	142.1 Å²	142.1	71%	0.705	79%	0.788	S	S	*	*			trans	-85.5	116.3	171.1	-177.1	0	0	0	0	111.3	D3688 K3692	D3688-V3690 PolarHBondContact O-N 3.05Å; D3688-V3690 WeakPolarHBondContact OD1-CG2 3.49Å; V3690-K3692 PolarHBondContact O-N 3.07Å
3691	D	36.8	Very low	33.5	Very low	147.667 Å²	147.667	140.5 Å²	140.5	79%	0.79	78%	0.782	S	S	*	*			trans	-51.7	116.3	177.2	-71.5	-54	0	0	0	114.2	N3689 S3693	N3689-D3691 PolarHBondContact O-N 2.92Å; D3691-S3693 VanDerWaalsContact C-N 3.32Å
3692	K	36.3	Very low	33.4	Very low	189.667 Å²	189.667	142.1 Å²	142.1	83%	0.825	78%	0.781	S	S	*	*			trans	-122	87.8	146.8	-86	174.8	-179.2	171.6	0	112.7	V3690 G3694	V3690-K3692 PolarHBondContact O-N 3.07Å; K3692-G3694 PolarHBondContact O-N 2.88Å; K3692-G3694 VanDerWaalsContact O-N 3.17Å
3693	S	34	Very low	33.5	Very low	115.333 Å²	115.333	145.4 Å²	145.4	81%	0.807	78%	0.778	S	S	*	*			trans	-33.1	110.5	159.6	51	0	0	0	0	113.7	D3691 F3695	D3691-S3693 VanDerWaalsContact C-N 3.32Å; S3693-F3695 PolarHBondContact O-N 2.83Å
3694	G	30.1	Very low	33.5	Very low	68 Å²	68	153 Å²	153	70%	0.701	79%	0.785	S	S	*	*			trans	-148.9	96.5	-178.6	0	0	0	0	0	112.7	K3692 Q3696	K3692-G3694 PolarHBondContact O-N 2.88Å; K3692-G3694 VanDerWaalsContact O-N 3.17Å; G3694-Q3696 PolarHBondContact O-N 3.14Å
3695	F	30.9	Very low	33.7	Very low	191 Å²	191	147.2 Å²	147.2	84%	0.838	78%	0.776	S	S	*	*			trans	-40.4	113.1	177.1	-67.2	-91.2	0	0	0	112.2	S3693	S3693-F3695 PolarHBondContact O-N 2.83Å
3696	Q	32.2	Very low	33.4	Very low	171.333 Å²	171.333	146.8 Å²	146.8	80%	0.801	77%	0.774	S	S	*	*				-129.7	113.2	117.4	-73.6	-157.9	-46	0	0	111.4	G3694	G3694-Q3696 PolarHBondContact O-N 3.14Å
3697	T	32.3	Very low	33.2	Very low	121.333 Å²	121.333	148.3 Å²	148.3	74%	0.744	77%	0.773	S	S	*	*			trans	-134.6	107.4	154.3	-61.2	0	0	0	0	107.7	N3699	T3697-N3699 VanDerWaalsContact C-N 3.25Å; T3697-N3699 PolarHBondContact O-N 3.29Å
3698	E	35.8	Very low	33.2	Very low	155.667 Å²	155.667	145.2 Å²	145.2	73%	0.727	77%	0.77	S	S	*	*			trans	-93.2	121.2	174.9	-69.8	-171.9	-170.8	0	0	111.3	N3700	E3698-N3700 PolarHBondContact O-N 2.96Å; E3698-N3700 VanDerWaalsContact O-N 3.13Å
3699	N	32.9	Very low	32.9	Very low	140.667 Å²	140.667	147.7 Å²	147.7	75%	0.752	77%	0.77	S	S	*	*			trans	-112.1	94.6	156.6	-79.1	-41.1	0	0	0	113.4	T3697 S3701	T3697-N3699 VanDerWaalsContact C-N 3.25Å; T3697-N3699 PolarHBondContact O-N 3.29Å; N3699-S3701 PolarHBondContact O-N 3.33Å
3700	N	30	Very low	32.7	Very low	152.667 Å²	152.667	148.8 Å²	148.8	82%	0.816	77%	0.771	S	S	*	*			trans	-87.8	113	161	-82.9	-55.4	0	0	0	110.6	E3698 L3702	E3698-N3700 PolarHBondContact O-N 2.96Å; E3698-N3700 VanDerWaalsContact O-N 3.13Å; N3700-L3702 PolarHBondContact O-N 3.15Å
3701	S	31.5	Very low	32.5	Very low	111.333 Å²	111.333	149.5 Å²	149.5	78%	0.779	77%	0.77	S	S	*	*			trans	-144	116.1	158.4	-46.1	0	0	0	0	111.7	N3699	N3699-S3701 PolarHBondContact O-N 3.33Å
3702	L	31.9	Very low	32.3	Very low	153 Å²	153	150 Å²	150	80%	0.801	77%	0.768	S	S	*	*			trans	-162.3	112.6	158.5	-92.3	170.2	0	0	0	112.4	N3700	N3700-L3702 PolarHBondContact O-N 3.15Å
3703	L	30.9	Very low	32.2	Very low	151.333 Å²	151.333	148 Å²	148	79%	0.792	77%	0.765	S	S	*	*			trans	13	152.4	153	-60.4	163.7	0	0	0	115.1
3704	R	29.1	Very low	32	Very low	229.333 Å²	229.333	150 Å²	150	87%	0.865	76%	0.762	S	S	*	*			trans	-168.1	141.6	132	-95.2	172	173.3	-110.3	-0.4	111.4
3705	T	33.9	Very low	32.1	Very low	117 Å²	117	154.3 Å²	154.3	72%	0.718	77%	0.768	S	S	*	*			trans	-99	140.8	163.4	48.2	0	0	0	0	113.1
3706	S	28.6	Very low	32.1	Very low	99 Å²	99	150.4 Å²	150.4	69%	0.692	76%	0.76	S	S	*	*				-156	122.5	57.7	157.1	0	0	0	0	112.8
3707	Y	31	Very low	31.9	Very low	199 Å²	199	149.3 Å²	149.3	78%	0.78	76%	0.76	S	S	*	*			trans	63	131.2	155	-66.9	-69.2	0	0	0	115.6
3708	D	34.4	Very low	31.9	Very low	134.667 Å²	134.667	154.1 Å²	154.1	72%	0.72	77%	0.766	S	S	*	*				-128.6	126	116.8	-86.7	-24.7	0	0	0	114.7
3709	Y	32.2	Very low	31.6	Very low	200 Å²	200	151.8 Å²	151.8	78%	0.784	77%	0.767	S	S	*	*			trans	54.6	142.9	144.8	-89.3	-79.6	0	0	0	117.9
3710	H	34.1	Very low	31.5	Very low	161 Å²	161	152.9 Å²	152.9	75%	0.745	77%	0.772	S	S	*	*			trans	-129.8	145.3	160.8	-102.2	-71	0	0	0	111.5
3711	D	34.8	Very low	31.5	Very low	130.333 Å²	130.333	152.1 Å²	152.1	70%	0.697	77%	0.768	S	S	*	*			trans	-78.4	155.7	133.5	-103.1	-23.8	0	0	0	116.9
3712	Q	31.8	Very low	31.4	Very low	158.333 Å²	158.333	156.9 Å²	156.9	74%	0.74	77%	0.77	S	S	*	*			trans	-175.1	135.7	154.5	-85.4	176.4	36.4	0	0	112.7
3713	L	33.7	Very low	31.3	Very low	146.667 Å²	146.667	156.3 Å²	156.3	77%	0.768	77%	0.768	S	S	*	*			trans	95.7	136.3	140.8	-74.8	164.5	0	0	0	116.3
3714	E	30.1	Very low	31.2	Very low	159 Å²	159	154.5 Å²	154.5	74%	0.743	76%	0.763	S	S	*	*			trans	61.7	123.8	146.7	-89.9	177.5	-169.5	0	0	115.4
3715	L	31.5	Very low	31.1	Very low	158 Å²	158	148.9 Å²	148.9	83%	0.827	75%	0.754	S	S	*	*			trans	-148.9	138.6	136.6	-83.1	106.4	0	0	0	112.6
3716	T	32.5	Very low	30.8	Very low	109 Å²	109	148.6 Å²	148.6	67%	0.669	75%	0.752	S	S	*	*			trans	-166.9	130.6	144.2	4.1	0	0	0	0	114.5
3717	N	28	Very low	30.8	Very low	147.333 Å²	147.333	150.4 Å²	150.4	79%	0.788	75%	0.754	S	S	*	*			trans	-17.1	126.9	156.2	-65.1	-48	0	0	0	117.5
3718	Y	31.5	Very low	30.8	Very low	222.667 Å²	222.667	148 Å²	148	87%	0.873	75%	0.75	S	S	*	*			trans	-141.2	123.4	137.6	-86.5	-75.9	0	0	0	109.5
3719	S	28.7	Very low	30.7	Very low	107.667 Å²	107.667	148.8 Å²	148.8	75%	0.753	75%	0.749	S	S	*	*			trans	-80.7	131.1	156	-91.4	0	0	0	0	113.6
3720	L	31.5	Very low	30.6	Very low	163.333 Å²	163.333	146.1 Å²	146.1	86%	0.855	75%	0.748	S	S	*	*			trans	111.3	131.3	159.6	-70	169.8	0	0	0	114.7
3721	N	30.2	Very low	30.3	Very low	136.333 Å²	136.333	145.4 Å²	145.4	73%	0.729	75%	0.748	S	S	*	*			trans	-132.8	157.3	176.2	-104.5	-40.3	0	0	0	110.8
3722	Y	29.3	Very low	29.9	Very low	211.667 Å²	211.667	144.2 Å²	144.2	83%	0.83	75%	0.75	S	S	*	*			trans	-117.7	153.5	165.2	-79.3	-79	0	0	0	114.8
3723	N	29.5	Very low	29.8	Very low	141 Å²	141	141.1 Å²	141.1	75%	0.754	75%	0.751	S	S	*	*			trans	137.6	133.8	135.8	-102.7	3.8	0	0	0	115.3
3724	V	27.9	Very low	29.6	Very low	113 Å²	113	139.6 Å²	139.6	69%	0.685	75%	0.753	S	S	*	*				65.7	133.5	105.5	151.5	0	0	0	0	118.3
3725	T	28.7	Very low	29.8	Very low	111 Å²	111	137.6 Å²	137.6	68%	0.681	75%	0.753	S	S	*	*			trans	65.2	118.6	149.3	61	0	0	0	0	119.7
3726	T	27.7	Very low	29.7	Very low	111.333 Å²	111.333	135 Å²	135	68%	0.683	75%	0.748	S	S	*	*				71.1	131.8	88.4	60.8	0	0	0	0	117.5
3727	N	28.8	Very low	29.6	Very low	137.667 Å²	137.667	134 Å²	134	74%	0.736	75%	0.746	S	S	*	*			trans	103.4	146.6	148.1	-65.5	-2.9	0	0	0	113.3
3728	E	30.9	Very low	29.8	Very low	149 Å²	149	131.5 Å²	131.5	70%	0.696	74%	0.74	S	S	*	*			cis	-173	164.4	-8.8	-115.5	-159.1	-168.8	0	0	108.3
3729	H	30.7	Very low	30.1	Very low	149.667 Å²	149.667	125.6 Å²	125.6	69%	0.693	73%	0.729	S	S	*	*			trans	54.2	125.5	154	-97.9	-102.8	0	0	0	122.4
3730	L	30.9	Very low	30.5	Very low	144.333 Å²	144.333	125.7 Å²	125.7	76%	0.756	73%	0.727	S	S	*	*				117.6	126.4	108.6	-84.7	167	0	0	0	114.8
3731	I	26.9	Very low	30.8	Very low	147 Å²	147	123.3 Å²	123.3	75%	0.754	72%	0.721	S	S	*	*			trans	108.5	104.8	137.9	-65.5	172.2	0	0	0	112.3
3732	S	27.1	Very low	31.1	Very low	104.667 Å²	104.667	122.6 Å²	122.6	73%	0.732	73%	0.725	S	S	*	*			trans	89.1	133.6	133.9	70.3	0	0	0	0	116
3733	A	29.2	Very low	31.2	Very low	93.6667 Å²	93.6667	120.3 Å²	120.3	77%	0.774	73%	0.725	S	S	*	*				165	134.8	78.2	0	0	0	0	0	111.3
3734	S	29.5	Very low	31.2	Very low	115 Å²	115	118 Å²	118	80%	0.804	72%	0.72	S	S	*	*			trans	-146.7	-171.1	139.2	-48.9	0	0	0	0	112.2
3735	P	34.8	Very low	31.2	Very low	115.333 Å²	115.333	119.4 Å²	119.4	75%	0.749	72%	0.723	S	S	*	*				-126.1	179.4	-52.6	38.4	-22.8	0	0	0	114.8
3736	S	29.9	Very low	31.2	Very low	103.333 Å²	103.333	121.6 Å²	121.6	72%	0.723	73%	0.73	S	S	*	*			trans	84.3	142.5	155.6	61.8	0	0	0	0	119.4
3737	S	30.1	Very low	31.1	Very low	89 Å²	89	121.2 Å²	121.2	62%	0.622	73%	0.732	S	S	*	*				87.2	130.9	111.9	68	0	0	0	0	120
3738	S	32	Very low	31.1	Very low	94 Å²	94	120.9 Å²	120.9	66%	0.657	74%	0.735	S	S	*	*				90.2	157.1	109.6	91.4	0	0	0	0	119.6
3739	P	38.7	Very low	31.2	Very low	100.333 Å²	100.333	119.9 Å²	119.9	65%	0.652	74%	0.739	S	S	*	*			trans	-124.1	-158.5	-136.4	40.7	-22.7	0	0	0	113.5
3740	P	36.5	Very low	31.2	Very low	108.333 Å²	108.333	118.9 Å²	118.9	70%	0.703	74%	0.743	S	S	*	*			cis	-111.7	-151.3	-41.5	34.7	-18.6	0	0	0	112
3741	P	37.3	Very low	31.2	Very low	113.333 Å²	113.333	119.3 Å²	119.3	74%	0.736	75%	0.745	S	S	*	*				-108.6	169.7	-92.5	31.5	-17.5	0	0	0	115
3742	P	37.6	Very low	31.3	Very low	122.333 Å²	122.333	120.6 Å²	120.6	79%	0.794	75%	0.748	S	S	*	*			trans	-92.4	169.6	178.5	37.3	-35.7	0	0	0	114.3
3743	I	31.3	Very low	31.4	Very low	163.667 Å²	163.667	124 Å²	124	84%	0.839	75%	0.749	S	S	*	*			trans	-150.5	142.2	162.9	-80.4	152.2	0	0	0	112.9
3744	S	27.9	Very low	31.5	Very low	92.3333 Å²	92.3333	127.7 Å²	127.7	65%	0.646	76%	0.755	S	S	*	*			trans	-79.6	153.9	170.8	61.8	0	0	0	0	119
3745	N	29.3	Very low	31.4	Very low	142.333 Å²	142.333	128.8 Å²	128.8	76%	0.761	75%	0.752	S	S	*	*			trans	118.5	123.5	140.9	-80.4	-20.5	0	0	0	121.1
3746	L	28.3	Very low	31.1	Very low	156.667 Å²	156.667	128.4 Å²	128.4	82%	0.82	75%	0.752	S	S	*	*			trans	105.6	142.3	135.7	-109.4	74.3	0	0	0	118.6
3747	S	26.2	Very low	31	Very low	102.667 Å²	102.667	129.2 Å²	129.2	72%	0.718	76%	0.757	S	S	*	*			trans	112.3	125.6	152.3	-47.5	0	0	0	0	115.8	T3749	S3747-T3749 PolarHBondContact O-N 3.5Å
3748	T	28.8	Very low	31	Very low	131 Å²	131	132.7 Å²	132.7	80%	0.804	77%	0.768	S	S	*	*			trans	-138.7	124.4	138.6	37	0	0	0	0	114.9
3749	T	31.5	Very low	30.9	Very low	128.667 Å²	128.667	133.7 Å²	133.7	79%	0.789	78%	0.775	S	S	*	*			trans	-71.5	142.4	157.7	50	0	0	0	0	115	S3747 I3751	S3747-T3749 PolarHBondContact O-N 3.5Å; T3749-I3751 PolarHBondContact O-N 3.36Å
3750	V	31.2	Very low	30.3	Very low	128.667 Å²	128.667	138.8 Å²	138.8	78%	0.78	78%	0.783	S	S	*	*			trans	-116	135.4	145.8	174.3	0	0	0	0	110.3
3751	I	30.9	Very low	29.8	Very low	152 Å²	152	139.2 Å²	139.2	78%	0.779	78%	0.784	S	S	*	*			trans	-87	131.8	156.9	-49.5	178.7	0	0	0	111.9	T3749	T3749-I3751 PolarHBondContact O-N 3.36Å
3752	E	30	Very low	29.4	Very low	176 Å²	176	142 Å²	142	82%	0.822	79%	0.787	S	S	*	*			trans	-101.6	152.3	154.3	-65.2	177.5	127.9	0	0	111.7	L3754	E3752-L3754 PolarHBondContact O-N 3.32Å
3753	K	28.5	Very low	29	Very low	175.667 Å²	175.667	141.3 Å²	141.3	76%	0.764	79%	0.785	S	S	*	*				72	90.6	60.4	-169.6	-176.2	-179.2	179.2	0	115	N3755	K3753-N3755 PolarHBondContact O-N 3.35Å
3754	L	31.7	Very low	28.8	Very low	170 Å²	170	141.4 Å²	141.4	89%	0.89	78%	0.784	S	S	*	*			trans	-132	121.2	159.3	-84.5	177.5	0	0	0	110	E3752 S3756	E3752-L3754 PolarHBondContact O-N 3.32Å; L3754-S3756 PolarHBondContact O-N 3.16Å
3755	N	27.1	Very low	29	Very low	138.667 Å²	138.667	146.2 Å²	146.2	74%	0.742	79%	0.793	S	S	*	*			trans	-91.9	118.1	152.2	-81.6	-5.9	0	0	0	114.2	K3753	K3753-N3755 PolarHBondContact O-N 3.35Å
3756	S	27.9	Very low	28.9	Very low	108.333 Å²	108.333	144.3 Å²	144.3	76%	0.758	79%	0.791	S	S	*	*			trans	178.4	106.7	151.5	61.1	0	0	0	0	114.7	L3754 L3758	L3754-S3756 PolarHBondContact O-N 3.16Å; S3756-L3758 PolarHBondContact O-N 3.1Å
3757	S	28.4	Very low	29.1	Very low	118.333 Å²	118.333	144.7 Å²	144.7	83%	0.828	79%	0.793	S	S	*	*				-99.4	122.2	127.4	56.2	0	0	0	0	110.6
3758	L	30.1	Very low	29.2	Very low	163 Å²	163	144.2 Å²	144.2	85%	0.853	79%	0.789	S	S	*	*			trans	-132.2	131.7	153.1	-139.4	64.9	0	0	0	109.6	S3756	S3756-L3758 PolarHBondContact O-N 3.1Å
3759	S	29	Very low	29.4	Very low	114.667 Å²	114.667	144.6 Å²	144.6	80%	0.802	79%	0.787	S	S	*	*			trans	-119.9	125.3	145.5	-34.4	0	0	0	0	113
3760	Y	26.2	Very low	29.5	Very low	209 Å²	209	147 Å²	147	82%	0.82	79%	0.786	S	S	*	*			trans	-147.3	150.2	169.5	-155.7	-103.7	0	0	0	112.7	Q3762	Y3760-Q3762 HydrophobicContact CD1-CB 4.44Å; Y3760-Q3762 HydrophobicContact CE1-CB 3.88Å
3761	T	26.8	Very low	29.5	Very low	116.667 Å²	116.667	147.8 Å²	147.8	72%	0.716	78%	0.784	S	S	*	*			trans	-136.4	110.9	-179.7	38.1	0	0	0	0	115.9
3762	Q	29.1	Very low	29.5	Very low	172.333 Å²	172.333	147.1 Å²	147.1	81%	0.805	78%	0.782	S	S	*	*			trans	162.9	136.9	138.5	-129.4	170.4	23.6	0	0	115.9	Y3760	Y3760-Q3762 HydrophobicContact CD1-CB 4.44Å; Y3760-Q3762 HydrophobicContact CE1-CB 3.88Å
3763	S	28	Very low	29.5	Very low	106 Å²	106	145.1 Å²	145.1	74%	0.741	78%	0.777	S	S	*	*				123.6	126.2	113.2	101	0	0	0	0	116.4
3764	M	27.5	Very low	29.7	Very low	166 Å²	166	142.9 Å²	142.9	82%	0.818	78%	0.779	S	S	*	*			trans	-23.6	133.6	165.6	-57	-72	-160.6	0	0	116.7
3765	K	33.1	Very low	29.5	Very low	194.333 Å²	194.333	141.9 Å²	141.9	85%	0.845	77%	0.774	S	S	*	*				168.5	138.9	126.1	-76.5	-176.2	-179.2	-179.3	0	115.9
3766	S	27	Very low	29.7	Very low	102.667 Å²	102.667	142.9 Å²	142.9	72%	0.718	78%	0.78	S	S	*	*			trans	-79.4	143.6	-171.3	150.4	0	0	0	0	113.9	S3768	S3766-S3768 PolarHBondContact OG-N 3.13Å
3767	L	32.9	Very low	29.8	Very low	164.333 Å²	164.333	141.3 Å²	141.3	86%	0.86	78%	0.78	S	S	*	*			trans	-134.4	110.1	149.5	-117.8	85.9	0	0	0	114.2	N3769	L3767-N3769 PolarHBondContact O-N 2.76Å
3768	S	27.7	Very low	29.9	Very low	92 Å²	92	144.7 Å²	144.7	64%	0.643	78%	0.782	S	S	*	*			trans	-62.8	136	151.3	147.3	0	0	0	0	115.3	S3766	S3766-S3768 PolarHBondContact OG-N 3.13Å
3769	N	33.2	Very low	29.8	Very low	139.667 Å²	139.667	142.6 Å²	142.6	75%	0.747	78%	0.781	S	S	*	*			trans	-176.7	119.9	150.4	-90.7	-24.8	0	0	0	116.2	L3767	L3767-N3769 PolarHBondContact O-N 2.76Å
3770	K	33	Very low	29.9	Very low	178.667 Å²	178.667	148.1 Å²	148.1	78%	0.777	78%	0.784	S	S	*	*			trans	48.1	116.6	147.7	-67.3	-176	171.2	-171.7	0	118.2
3771	I	31	Very low	30.1	Very low	144.667 Å²	144.667	147.5 Å²	147.5	74%	0.742	79%	0.789	S	S	*	*			trans	-38	128.3	135.8	-64	172.6	0	0	0	113.5	D3773	I3771-D3773 WeakPolarHBondContact CG2-OD2 3.42Å
3772	N	31	Very low	30.3	Very low	138.667 Å²	138.667	145.1 Å²	145.1	74%	0.742	79%	0.788	S	S	*	*			trans	-125.1	141.6	160.9	-80.2	-1.5	0	0	0	116.4
3773	D	29.3	Very low	30.4	Very low	134.333 Å²	134.333	144.2 Å²	144.2	72%	0.718	79%	0.788	S	S	*	*			trans	-42	119.9	164.2	-54.3	-62.1	0	0	0	115.5	I3771	I3771-D3773 WeakPolarHBondContact CG2-OD2 3.42Å
3774	T	32.6	Very low	30.5	Very low	129 Å²	129	145.7 Å²	145.7	79%	0.791	79%	0.788	S	S	*	*			trans	-108	104.5	146.9	45.7	0	0	0	0	113.9	N3776	T3774-N3776 PolarHBondContact O-N 3.05Å
3775	N	28.4	Very low	30.6	Very low	147.667 Å²	147.667	145.1 Å²	145.1	79%	0.79	79%	0.788	S	S	*	*			trans	-87.1	141.8	149.2	-82.6	-61.4	0	0	0	111.9
3776	N	31.6	Very low	30.5	Very low	161.333 Å²	161.333	141.7 Å²	141.7	86%	0.863	78%	0.784	S	S	*	*			trans	-134.1	124.9	163.4	-90.8	-36.3	0	0	0	111.7	T3774 H3778	T3774-N3776 PolarHBondContact O-N 3.05Å; N3776-H3778 PolarHBondContact O-N 3.28Å
3777	G	29.3	Very low	30.7	Very low	73.3333 Å²	73.3333	146.5 Å²	146.5	76%	0.756	79%	0.792	S	S	*	*			trans	-111	123.5	173.3	0	0	0	0	0	112.8
3778	H	31.1	Very low	30.5	Very low	189.667 Å²	189.667	143.9 Å²	143.9	88%	0.878	79%	0.787	S	S	*	*			trans	-121	137	166.5	-75.6	-22.1	0	0	0	111.3	N3776 R3780	N3776-H3778 PolarHBondContact O-N 3.28Å; H3778-R3780 PolarHBondContact O-N 3.47Å
3779	S	28	Very low	30.7	Very low	118.667 Å²	118.667	144.4 Å²	144.4	83%	0.83	79%	0.791	S	S	*	*			trans	-118.9	149.5	166	51.2	0	0	0	0	111.6
3780	R	30.3	Very low	30.4	Very low	231 Å²	231	148.9 Å²	148.9	87%	0.872	80%	0.798	S	S	*	*			trans	-131.5	154.2	176.7	-67.1	-178.7	169.2	-164.6	-4	113.7	H3778 G3782	H3778-R3780 PolarHBondContact O-N 3.47Å; R3780-G3782 PolarHBondContact O-N 3.31Å
3781	Q	31.6	Very low	30.4	Very low	196.333 Å²	196.333	147.1 Å²	147.1	92%	0.917	80%	0.795	S	S	*	*			trans	37.1	102.5	171.3	-69.2	167.4	-52.1	0	0	114.4	N3783	Q3781-N3783 PolarHBondContact O-N 3.33Å
3782	G	30.2	Very low	30.4	Very low	66.6667 Å²	66.6667	145.7 Å²	145.7	69%	0.687	80%	0.795	S	S	*	*			trans	-108.4	111	169.2	0	0	0	0	0	111.5	R3780 N3784	R3780-G3782 PolarHBondContact O-N 3.31Å; G3782-N3784 PolarHBondContact O-N 3.46Å
3783	N	31	Very low	30.4	Very low	153 Å²	153	146.2 Å²	146.2	82%	0.818	80%	0.797	S	S	*	*			trans	-88.8	122	168.3	-91.6	-17.2	0	0	0	110.8	Q3781 N3785	Q3781-N3783 PolarHBondContact O-N 3.33Å; N3783-N3785 PolarHBondContact O-N 3.14Å; N3783-N3785 VanDerWaalsContact O-N 3.08Å
3784	N	30.6	Very low	30.4	Very low	138.667 Å²	138.667	144.5 Å²	144.5	74%	0.742	80%	0.796	S	S	*	*			trans	-59.4	96.6	174.3	-67.3	-19.4	0	0	0	114.8	G3782 T3786	G3782-N3784 PolarHBondContact O-N 3.46Å; N3784-T3786 PolarHBondContact O-N 3.14Å; N3784-T3786 PolarHBondContact O-OG1 2.99Å
3785	N	28.9	Very low	30.4	Very low	152 Å²	152	146.2 Å²	146.2	81%	0.813	79%	0.792	S	S	*	*			trans	-63.3	60.9	153	-78.6	-26	0	0	0	113.8	N3783 K3787	N3783-N3785 PolarHBondContact O-N 3.14Å; N3783-N3785 VanDerWaalsContact O-N 3.08Å; N3785-K3787 VanDerWaalsContact C-N 3.29Å; N3785-K3787 PolarHBondContact O-N 3.15Å
3786	T	32.2	Very low	30.7	Very low	124.333 Å²	124.333	145.2 Å²	145.2	76%	0.763	79%	0.792	S	S	*	*			trans	-89.8	102.4	164.3	39.4	0	0	0	0	110.5	N3784 S3788	N3784-T3786 PolarHBondContact O-N 3.14Å; N3784-T3786 PolarHBondContact O-OG1 2.99Å; T3786-S3788 PolarHBondContact O-N 2.93Å
3787	K	30.4	Very low	30.9	Very low	202.667 Å²	202.667	144.7 Å²	144.7	88%	0.881	78%	0.784	S	S	*	*			trans	-61.9	94.1	165.6	-69.7	178.1	176.6	178.7	0	109	N3785 S3789	N3785-K3787 VanDerWaalsContact C-N 3.29Å; N3785-K3787 PolarHBondContact O-N 3.15Å; K3787-S3789 PolarHBondContact O-N 2.98Å
3788	S	28.6	Very low	31.3	Very low	108.667 Å²	108.667	148.4 Å²	148.4	76%	0.76	78%	0.782	S	S	*	*			trans	-70.5	98	176.2	-173.7	0	0	0	0	109.3	T3786 R3790	T3786-S3788 PolarHBondContact O-N 2.93Å; S3788-R3790 PolarHBondContact O-N 3.08Å
3789	S	32.1	Very low	31.7	Very low	103 Å²	103	148.1 Å²	148.1	72%	0.72	78%	0.778	S	S	*	*			trans	-67.2	99.3	169.1	49.7	0	0	0	0	110.2	K3787 I3791	K3787-S3789 PolarHBondContact O-N 2.98Å; S3789-I3791 VanDerWaalsContact C-N 3.27Å; S3789-I3791 PolarHBondContact O-N 3.02Å
3790	R	26.4	Very low	32.4	Very low	235.333 Å²	235.333	145.6 Å²	145.6	89%	0.888	76%	0.761	S	S	*	*			trans	-60.9	102.2	172.8	-148.3	175.2	-115.1	164.9	-5.9	109.1	S3788	S3788-R3790 PolarHBondContact O-N 3.08Å
3791	I	33.6	Very low	33.1	Very low	139.333 Å²	139.333	140.8 Å²	140.8	72%	0.715	75%	0.751	S	S	*	*			trans	-62.1	128.4	167.5	-61.4	172.9	0	0	0	107.4	S3789 L3793	S3789-I3791 VanDerWaalsContact C-N 3.27Å; S3789-I3791 PolarHBondContact O-N 3.02Å; I3791-L3793 PolarHBondContact O-N 3.28Å
3792	P	32	Very low	34	Very low	117 Å²	117	138.3 Å²	138.3	76%	0.76	74%	0.74	S	S	*	*			trans	-64.4	112.7	174.4	-4.1	11.2	0	0	0	109.3	S3794	P3792-S3794 PolarHBondContact O-N 3.1Å; P3792-S3794 VanDerWaalsContact O-N 3.1Å
3793	L	30.5	Very low	34.8	Very low	147.333 Å²	147.333	140.5 Å²	140.5	77%	0.771	74%	0.736	S	S	*	*			trans	-66.5	118.2	168.1	-76.5	168.1	0	0	0	108.1	I3791 F3795	I3791-L3793 PolarHBondContact O-N 3.28Å; L3793-F3795 HydrophobicContact CB-CD2 4.18Å; L3793-F3795 HydrophobicContact CB-CE2 4.04Å; L3793-F3795 HydrophobicContact CD1-CE2 4.26Å; L3793-F3795 WeakPolarHBondContact O-CD2 3.39Å; L3793-F3795 PolarHBondContact O-N 2.94Å
3794	S	29.3	Very low	35.9	Very low	99.6667 Å²	99.6667	138.1 Å²	138.1	70%	0.697	72%	0.719	S	S	*	*			trans	-66.6	98.7	179.9	52	0	0	0	0	110.9	P3792 T3796	P3792-S3794 PolarHBondContact O-N 3.1Å; P3792-S3794 VanDerWaalsContact O-N 3.1Å; S3794-T3796 VanDerWaalsContact C-N 3.33Å; S3794-T3796 PolarHBondContact O-N 3.13Å
3795	F	33.1	Very low	37.2	Very low	164.333 Å²	164.333	135.5 Å²	135.5	72%	0.721	71%	0.712	S	S	*	*			trans	-70.8	86	174.1	-85.3	-95	0	0	0	110.8	L3793 Q3797 Q3798	L3793-F3795 HydrophobicContact CB-CD2 4.18Å; L3793-F3795 HydrophobicContact CB-CE2 4.04Å; L3793-F3795 HydrophobicContact CD1-CE2 4.26Å; L3793-F3795 WeakPolarHBondContact O-CD2 3.39Å; L3793-F3795 PolarHBondContact O-N 2.94Å; F3795-Q3797 PolarHBondContact O-N 3.02Å; F3795-Q3798 VanDerWaalsContact CD1-OE1 3.26Å
3796	T	34.6	Very low	38.9	Very low	127.333 Å²	127.333	133.6 Å²	133.6	78%	0.781	70%	0.701	S	S	*	*			trans	-91.7	44.8	171.7	52.3	0	0	0	0	112.1	S3794	S3794-T3796 VanDerWaalsContact C-N 3.33Å; S3794-T3796 PolarHBondContact O-N 3.13Å
3797	Q	35.7	Very low	40.7	Very low	150.333 Å²	150.333	132.7 Å²	132.7	70%	0.702	69%	0.687	S	S	*	*			trans	-117.2	38.3	176.1	-72.2	-170.3	-10.6	0	0	113.7	F3795 K3799	F3795-Q3797 PolarHBondContact O-N 3.02Å; Q3797-K3799 VanDerWaalsContact C-N 3.32Å; Q3797-K3799 PolarHBondContact O-N 3.13Å; Q3797-K3799 VanDerWaalsContact O-N 3.07Å
3798	Q	38.1	Very low	43.1	Very low	152 Å²	152	127.8 Å²	127.8	71%	0.71	67%	0.671	S	S	*	*	H	α-helix	trans	-47.8	52.1	163.7	-72.1	-179.8	-32.1	0	0	115.7	F3795 S3800 L3801 Q3802	F3795-Q3798 VanDerWaalsContact CD1-OE1 3.26Å; Q3798-S3800 PolarHBondContact O-N 3.3Å; Q3798-L3801 PolarHBondContact O-N 3.39Å; Q3798-Q3802 PolarHBondContact O-N 3.42Å
3799	K	39.4	Very low	45.3	Very low	183.333 Å²	183.333	125.3 Å²	125.3	80%	0.797	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-4.9	159.6	-80.1	-165.6	172.3	-173.3	0	117.6	Q3797 N3803	Q3797-K3799 VanDerWaalsContact C-N 3.32Å; Q3797-K3799 PolarHBondContact O-N 3.13Å; Q3797-K3799 VanDerWaalsContact O-N 3.07Å; K3799-N3803 VanDerWaalsContact O-CG 3.31Å; K3799-N3803 PolarHBondContact O-N 3.21Å
3800	S	42.5	Very low	47.7	Very low	65.3333 Å²	65.3333	125.8 Å²	125.8	46%	0.457	65%	0.647	S	S	.	*	S	Bend	trans	-80.7	-43.4	172.1	54.6	0	0	0	0	112.8	Q3798 Q3802 N3803 H3804	Q3798-S3800 PolarHBondContact O-N 3.3Å; S3800-Q3802 VanDerWaalsContact C-N 3.34Å; S3800-Q3802 PolarHBondContact O-N 3.07Å; S3800-N3803 PolarHBondContact O-N 3.19Å; S3800-N3803 VanDerWaalsContact O-N 3.13Å; S3800-H3804 PolarHBondContact O-CD2 3.36Å; S3800-H3804 PolarHBondContact O-CE1 3.17Å; S3800-H3804 VanDerWaalsContact O-CE1 3.28Å; S3800-H3804 PolarHBondContact O-N 3.06Å
3801	L	45.4	Very low	50.5	Low	129.5 Å²	129.5	118.4 Å²	118.4	68%	0.678	62%	0.624	S	S	*	*	H	α-helix	trans	-62.8	-31.4	-172.4	-88.8	155.8	0	0	0	114.9	Q3798 N3803 S3805	Q3798-L3801 PolarHBondContact O-N 3.39Å; L3801-N3803 VanDerWaalsContact C-N 3.35Å; L3801-S3805 PolarHBondContact O-N 3Å
3802	Q	48.4	Very low	53	Low	145.5 Å²	145.5	113.5 Å²	113.5	68%	0.68	61%	0.605	S	S	*	*	H	α-helix	trans	-71.1	-33.2	175.8	-77.8	-178.2	-36.6	0	0	112.7	Q3798 S3800 H3804 S3805 L3806	Q3798-Q3802 PolarHBondContact O-N 3.42Å; S3800-Q3802 VanDerWaalsContact C-N 3.34Å; S3800-Q3802 PolarHBondContact O-N 3.07Å; Q3802-H3804 VanDerWaalsContact C-N 3.33Å; Q3802-H3804 PolarHBondContact O-N 3.35Å; Q3802-S3805 PolarHBondContact O-N 3.35Å; Q3802-L3806 PolarHBondContact O-N 3.06Å
3803	N	48.7	Very low	55.5	Low	112 Å²	112	110.4 Å²	110.4	60%	0.599	59%	0.589	S	S	*	*	H	α-helix	trans	-68.2	-34.3	-179.8	-69.4	-10.8	0	0	0	112.3	K3799 S3800 L3801 L3806 F3807	K3799-N3803 VanDerWaalsContact O-CG 3.31Å; K3799-N3803 PolarHBondContact O-N 3.21Å; S3800-N3803 PolarHBondContact O-N 3.19Å; S3800-N3803 VanDerWaalsContact O-N 3.13Å; L3801-N3803 VanDerWaalsContact C-N 3.35Å; N3803-L3806 PolarHBondContact O-N 3.15Å; N3803-F3807 WeakPolarHBondContact O-CB 3.35Å; N3803-F3807 PolarHBondContact O-N 3.35Å
3804	H	52.5	Low	58.2	Low	102.5 Å²	102.5	108 Å²	108	48%	0.475	57%	0.574	S	S	.	*	H	α-helix	trans	-65.3	-47.2	176.3	-50.2	-44.8	0	0	0	111.2	S3800 Q3802 L3806 F3807 D3808	S3800-H3804 PolarHBondContact O-CD2 3.36Å; S3800-H3804 PolarHBondContact O-CE1 3.17Å; S3800-H3804 VanDerWaalsContact O-CE1 3.28Å; S3800-H3804 PolarHBondContact O-N 3.06Å; Q3802-H3804 VanDerWaalsContact C-N 3.33Å; Q3802-H3804 PolarHBondContact O-N 3.35Å; H3804-L3806 VanDerWaalsContact C-N 3.26Å; H3804-L3806 PolarHBondContact O-N 3.09Å; H3804-F3807 WeakPolarHBondContact O-CB 3.35Å; H3804-F3807 PolarHBondContact O-N 3.31Å; H3804-F3807 VanDerWaalsContact O-N 3.14Å; H3804-D3808 PolarHBondContact O-N 3.25Å
3805	S	59.6	Low	61	Low	84 Å²	84	105.6 Å²	105.6	59%	0.587	56%	0.56	S	S	*	*	H	α-helix	trans	-61.7	-32.5	178.6	-176.2	0	0	0	0	113.3	L3801 Q3802 A3809	L3801-S3805 PolarHBondContact O-N 3Å; Q3802-S3805 PolarHBondContact O-N 3.35Å; S3805-A3809 VanDerWaalsContact O-CB 3.28Å; S3805-A3809 WeakPolarHBondContact O-CB 3.35Å; S3805-A3809 PolarHBondContact O-N 2.91Å; S3805-A3809 VanDerWaalsContact O-N 3.16Å
3806	L	63.3	Low	63.6	Low	111.5 Å²	111.5	105.6 Å²	105.6	58%	0.584	56%	0.555	S	S	*	*	H	α-helix	trans	-76.3	-38.7	177.7	-145.9	163.8	0	0	0	110.9	Q3802 N3803 H3804 A3809 Q3810	Q3802-L3806 PolarHBondContact O-N 3.06Å; N3803-L3806 PolarHBondContact O-N 3.15Å; H3804-L3806 VanDerWaalsContact C-N 3.26Å; H3804-L3806 PolarHBondContact O-N 3.09Å; L3806-A3809 PolarHBondContact O-N 3.09Å; L3806-Q3810 HydrophobicContact CD2-CG 4.35Å; L3806-Q3810 WeakPolarHBondContact O-CB 3.27Å; L3806-Q3810 WeakPolarHBondContact O-CG 3.19Å; L3806-Q3810 PolarHBondContact O-N 3.21Å
3807	F	71.3	Confident	66.2	Low	107 Å²	107	105 Å²	105	47%	0.469	54%	0.544	S	S	.	.	H	α-helix	trans	-63.9	-45.4	174	-174.6	-111.6	0	0	0	112.3	N3803 H3804 A3809 Q3810 I3811	N3803-F3807 WeakPolarHBondContact O-CB 3.35Å; N3803-F3807 PolarHBondContact O-N 3.35Å; H3804-F3807 WeakPolarHBondContact O-CB 3.35Å; H3804-F3807 PolarHBondContact O-N 3.31Å; H3804-F3807 VanDerWaalsContact O-N 3.14Å; F3807-A3809 VanDerWaalsContact C-N 3.32Å; F3807-A3809 PolarHBondContact O-N 3.24Å; F3807-Q3810 PolarHBondContact O-N 2.91Å; F3807-Q3810 VanDerWaalsContact O-N 3.15Å; F3807-I3811 HydrophobicContact CD1-CD1 3.74Å; F3807-I3811 HydrophobicContact CE1-CD1 3.43Å; F3807-I3811 VanDerWaalsContact CE1-CD1 3.43Å; F3807-I3811 HydrophobicContact CE1-CG1 4.38Å; F3807-I3811 HydrophobicContact CE2-CD1 4.25Å; F3807-I3811 HydrophobicContact CG-CD1 4.38Å; F3807-I3811 HydrophobicContact CZ-CD1 3.82Å; F3807-I3811 WeakPolarHBondContact O-CG1 3.43Å; F3807-I3811 PolarHBondContact O-N 3.38Å
3808	D	79.1	Confident	68.8	Low	99 Å²	99	101.4 Å²	101.4	53%	0.529	53%	0.528	S	S	.	.	H	α-helix	trans	-63.9	-37.9	175.9	-68.7	-24.3	0	0	0	111.6	H3804 Q3810 I3811 A3812	H3804-D3808 PolarHBondContact O-N 3.25Å; D3808-Q3810 VanDerWaalsContact C-N 3.33Å; D3808-Q3810 PolarHBondContact O-N 3.25Å; D3808-I3811 PolarHBondContact O-N 3.26Å; D3808-A3812 VanDerWaalsContact O-CB 3.31Å; D3808-A3812 WeakPolarHBondContact O-CB 3.23Å; D3808-A3812 PolarHBondContact O-N 3.11Å
3809	A	75.5	Confident	71.1	Confident	55 Å²	55	96.7 Å²	96.7	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-65.3	-37.8	173.7	0	0	0	0	0	112.5	S3805 L3806 F3807 A3812 A3813	S3805-A3809 VanDerWaalsContact O-CB 3.28Å; S3805-A3809 WeakPolarHBondContact O-CB 3.35Å; S3805-A3809 PolarHBondContact O-N 2.91Å; S3805-A3809 VanDerWaalsContact O-N 3.16Å; L3806-A3809 PolarHBondContact O-N 3.09Å; F3807-A3809 VanDerWaalsContact C-N 3.32Å; F3807-A3809 PolarHBondContact O-N 3.24Å; A3809-A3812 PolarHBondContact O-N 3.07Å; A3809-A3813 WeakPolarHBondContact O-CB 3.49Å; A3809-A3813 PolarHBondContact O-N 3.44Å
3810	Q	83.4	Confident	73.2	Confident	115.5 Å²	115.5	96.8 Å²	96.8	54%	0.54	51%	0.508	S	S	.	.	H	α-helix	trans	-67.3	-44.8	174.8	-123.6	174.8	-8.1	0	0	111.6	L3806 F3807 D3808 A3812 A3813 E3814	L3806-Q3810 HydrophobicContact CD2-CG 4.35Å; L3806-Q3810 WeakPolarHBondContact O-CB 3.27Å; L3806-Q3810 WeakPolarHBondContact O-CG 3.19Å; L3806-Q3810 PolarHBondContact O-N 3.21Å; F3807-Q3810 PolarHBondContact O-N 2.91Å; F3807-Q3810 VanDerWaalsContact O-N 3.15Å; D3808-Q3810 VanDerWaalsContact C-N 3.33Å; D3808-Q3810 PolarHBondContact O-N 3.25Å; Q3810-A3812 VanDerWaalsContact C-N 3.31Å; Q3810-A3812 PolarHBondContact O-N 3.22Å; Q3810-A3813 WeakPolarHBondContact O-CB 3.41Å; Q3810-A3813 PolarHBondContact O-N 2.99Å; Q3810-A3813 VanDerWaalsContact O-N 3.14Å; Q3810-E3814 WeakPolarHBondContact O-CB 3.27Å; Q3810-E3814 PolarHBondContact O-N 2.93Å
3811	I	85.3	Confident	75.4	Confident	78.5 Å²	78.5	98.8 Å²	98.8	40%	0.403	51%	0.51	S	S	.	.	H	α-helix	trans	-59	-43.4	173.4	-69.5	167.8	0	0	0	110.7	F3807 D3808 A3813 E3814 A3815	F3807-I3811 HydrophobicContact CD1-CD1 3.74Å; F3807-I3811 HydrophobicContact CE1-CD1 3.43Å; F3807-I3811 VanDerWaalsContact CE1-CD1 3.43Å; F3807-I3811 HydrophobicContact CE1-CG1 4.38Å; F3807-I3811 HydrophobicContact CE2-CD1 4.25Å; F3807-I3811 HydrophobicContact CG-CD1 4.38Å; F3807-I3811 HydrophobicContact CZ-CD1 3.82Å; F3807-I3811 WeakPolarHBondContact O-CG1 3.43Å; F3807-I3811 PolarHBondContact O-N 3.38Å; D3808-I3811 PolarHBondContact O-N 3.26Å; I3811-A3813 VanDerWaalsContact C-N 3.32Å; I3811-A3813 PolarHBondContact O-N 3.18Å; I3811-E3814 PolarHBondContact O-N 3.23Å; I3811-A3815 VanDerWaalsContact O-CB 3.25Å; I3811-A3815 WeakPolarHBondContact O-CB 3.42Å; I3811-A3815 PolarHBondContact O-N 3.09Å
3812	A	85.7	Confident	77.5	Confident	36.5 Å²	36.5	95.9 Å²	95.9	30%	0.302	50%	0.495	S	S	.	.	H	α-helix	trans	-66.8	-31.2	177.2	0	0	0	0	0	112.9	D3808 A3809 Q3810 R3816	D3808-A3812 VanDerWaalsContact O-CB 3.31Å; D3808-A3812 WeakPolarHBondContact O-CB 3.23Å; D3808-A3812 PolarHBondContact O-N 3.11Å; A3809-A3812 PolarHBondContact O-N 3.07Å; Q3810-A3812 VanDerWaalsContact C-N 3.31Å; Q3810-A3812 PolarHBondContact O-N 3.22Å; A3812-R3816 VanDerWaalsContact O-CD 3.27Å; A3812-R3816 WeakPolarHBondContact O-CD 3.45Å; A3812-R3816 WeakPolarHBondContact O-CG 3.28Å; A3812-R3816 PolarHBondContact O-N 2.89Å
3813	A	84.4	Confident	79.2	Confident	52 Å²	52	96.8 Å²	96.8	43%	0.43	49%	0.492	S	S	.	.	H	α-helix	trans	-71.5	-47.5	173.3	0	0	0	0	0	111.6	A3809 Q3810 I3811 A3815 R3816 Q3817	A3809-A3813 WeakPolarHBondContact O-CB 3.49Å; A3809-A3813 PolarHBondContact O-N 3.44Å; Q3810-A3813 WeakPolarHBondContact O-CB 3.41Å; Q3810-A3813 PolarHBondContact O-N 2.99Å; Q3810-A3813 VanDerWaalsContact O-N 3.14Å; I3811-A3813 VanDerWaalsContact C-N 3.32Å; I3811-A3813 PolarHBondContact O-N 3.18Å; A3813-A3815 PolarHBondContact O-N 3.32Å; A3813-R3816 WeakPolarHBondContact O-CB 3.39Å; A3813-R3816 PolarHBondContact O-N 3.16Å; A3813-R3816 VanDerWaalsContact O-N 3.16Å; A3813-Q3817 PolarHBondContact O-N 3.12Å
3814	E	87	Confident	80.8	Confident	96.5 Å²	96.5	97.6 Å²	97.6	45%	0.451	50%	0.501	S	S	.	.	H	α-helix	trans	-61.2	-45.1	177.6	-167.2	127.3	-152.4	0	0	111.3	Q3810 I3811 R3816 Q3817 I3818	Q3810-E3814 WeakPolarHBondContact O-CB 3.27Å; Q3810-E3814 PolarHBondContact O-N 2.93Å; I3811-E3814 PolarHBondContact O-N 3.23Å; E3814-R3816 VanDerWaalsContact C-N 3.29Å; E3814-R3816 PolarHBondContact O-N 3.17Å; E3814-Q3817 WeakPolarHBondContact O-CA 3.46Å; E3814-Q3817 WeakPolarHBondContact O-CB 3.34Å; E3814-Q3817 PolarHBondContact O-N 3.02Å; E3814-I3818 HydrophobicContact CG-CD1 4.07Å; E3814-I3818 WeakPolarHBondContact O-CG1 3.36Å; E3814-I3818 PolarHBondContact O-N 3.1Å
3815	A	88.7	Confident	82.3	Confident	50.5 Å²	50.5	98.4 Å²	98.4	42%	0.417	51%	0.506	S	S	.	.	H	α-helix	trans	-60.5	-36.7	175.5	0	0	0	0	0	112.5	I3811 A3813 S3819	I3811-A3815 VanDerWaalsContact O-CB 3.25Å; I3811-A3815 WeakPolarHBondContact O-CB 3.42Å; I3811-A3815 PolarHBondContact O-N 3.09Å; A3813-A3815 PolarHBondContact O-N 3.32Å; A3815-S3819 VanDerWaalsContact O-CB 3.23Å; A3815-S3819 WeakPolarHBondContact O-CB 3.47Å; A3815-S3819 PolarHBondContact O-N 3.2Å
3816	R	87.7	Confident	83.5	Confident	164 Å²	164	97.1 Å²	97.1	62%	0.619	51%	0.506	S	S	*	.	H	α-helix	trans	-69.8	-35.7	172.9	-72.6	166.1	-176.3	144.8	-2.3	112.1	A3812 A3813 E3814 R3820	A3812-R3816 VanDerWaalsContact O-CD 3.27Å; A3812-R3816 WeakPolarHBondContact O-CD 3.45Å; A3812-R3816 WeakPolarHBondContact O-CG 3.28Å; A3812-R3816 PolarHBondContact O-N 2.89Å; A3813-R3816 WeakPolarHBondContact O-CB 3.39Å; A3813-R3816 PolarHBondContact O-N 3.16Å; A3813-R3816 VanDerWaalsContact O-N 3.16Å; E3814-R3816 VanDerWaalsContact C-N 3.29Å; E3814-R3816 PolarHBondContact O-N 3.17Å; R3816-R3820 WeakPolarHBondContact O-CB 3.44Å; R3816-R3820 VanDerWaalsContact O-CG 3.25Å; R3816-R3820 WeakPolarHBondContact O-CG 3.45Å; R3816-R3820 PolarHBondContact O-N 2.97Å
3817	Q	87.9	Confident	84.4	Confident	115.5 Å²	115.5	100 Å²	100	54%	0.54	51%	0.509	S	S	.	.	H	α-helix	trans	-65.7	-49.3	175.2	178.6	173.6	-30.5	0	0	111.1	A3813 E3814 S3819 R3820 Q3821	A3813-Q3817 PolarHBondContact O-N 3.12Å; E3814-Q3817 WeakPolarHBondContact O-CA 3.46Å; E3814-Q3817 WeakPolarHBondContact O-CB 3.34Å; E3814-Q3817 PolarHBondContact O-N 3.02Å; Q3817-S3819 VanDerWaalsContact C-N 3.32Å; Q3817-S3819 PolarHBondContact O-N 3.27Å; Q3817-R3820 WeakPolarHBondContact O-CB 3.15Å; Q3817-R3820 PolarHBondContact O-N 2.83Å; Q3817-R3820 VanDerWaalsContact O-N 3.16Å; Q3817-Q3821 WeakPolarHBondContact O-CG 3.43Å; Q3817-Q3821 PolarHBondContact O-N 3.16Å
3818	I	90.8	Very high	84.8	Confident	73 Å²	73	101.2 Å²	101.2	37%	0.374	52%	0.519	S	S	.	.	H	α-helix	trans	-60.4	-43.6	175.4	-64.8	166.5	0	0	0	110.5	E3814 R3820 Q3821 L3822	E3814-I3818 HydrophobicContact CG-CD1 4.07Å; E3814-I3818 WeakPolarHBondContact O-CG1 3.36Å; E3814-I3818 PolarHBondContact O-N 3.1Å; I3818-R3820 VanDerWaalsContact C-N 3.33Å; I3818-R3820 PolarHBondContact O-N 3.27Å; I3818-Q3821 PolarHBondContact O-N 3.14Å; I3818-Q3821 VanDerWaalsContact O-N 3.15Å; I3818-L3822 HydrophobicContact CG2-CD1 3.95Å; I3818-L3822 HydrophobicContact CG2-CG 4.37Å; I3818-L3822 WeakPolarHBondContact O-CB 3.4Å; I3818-L3822 WeakPolarHBondContact O-CG 3.49Å; I3818-L3822 PolarHBondContact O-N 3.02Å
3819	S	86	Confident	84	Confident	53.5 Å²	53.5	100.2 Å²	100.2	37%	0.374	52%	0.518	S	S	.	.	H	α-helix	trans	-61.9	-37.1	176.2	-177.3	0	0	0	0	113	A3815 Q3817 R3823	A3815-S3819 VanDerWaalsContact O-CB 3.23Å; A3815-S3819 WeakPolarHBondContact O-CB 3.47Å; A3815-S3819 PolarHBondContact O-N 3.2Å; Q3817-S3819 VanDerWaalsContact C-N 3.32Å; Q3817-S3819 PolarHBondContact O-N 3.27Å; S3819-R3823 WeakPolarHBondContact O-CB 3.42Å; S3819-R3823 PolarHBondContact O-N 3.05Å; S3819-R3823 VanDerWaalsContact O-N 3.07Å
3820	R	85	Confident	83.4	Confident	185.5 Å²	185.5	104 Å²	104	70%	0.7	54%	0.535	S	S	*	.	H	α-helix	trans	-66.9	-44	172.4	-73.9	168.3	-175.9	-111.2	2.2	111.6	R3816 Q3817 I3818 R3823 V3824	R3816-R3820 WeakPolarHBondContact O-CB 3.44Å; R3816-R3820 VanDerWaalsContact O-CG 3.25Å; R3816-R3820 WeakPolarHBondContact O-CG 3.45Å; R3816-R3820 PolarHBondContact O-N 2.97Å; Q3817-R3820 WeakPolarHBondContact O-CB 3.15Å; Q3817-R3820 PolarHBondContact O-N 2.83Å; Q3817-R3820 VanDerWaalsContact O-N 3.16Å; I3818-R3820 VanDerWaalsContact C-N 3.33Å; I3818-R3820 PolarHBondContact O-N 3.27Å; R3820-R3823 PolarHBondContact O-N 3.06Å; R3820-V3824 WeakPolarHBondContact O-CG2 3.37Å; R3820-V3824 PolarHBondContact O-N 3.44Å
3821	Q	88.7	Confident	81.9	Confident	108.5 Å²	108.5	105.5 Å²	105.5	51%	0.507	55%	0.548	S	S	.	.	H	α-helix	trans	-62.4	-45.8	177.7	-122.6	173.4	-15.1	0	0	111.6	Q3817 I3818 R3823 V3824 M3825	Q3817-Q3821 WeakPolarHBondContact O-CG 3.43Å; Q3817-Q3821 PolarHBondContact O-N 3.16Å; I3818-Q3821 PolarHBondContact O-N 3.14Å; I3818-Q3821 VanDerWaalsContact O-N 3.15Å; Q3821-R3823 VanDerWaalsContact C-N 3.34Å; Q3821-R3823 PolarHBondContact O-N 3.21Å; Q3821-V3824 PolarHBondContact O-N 3Å; Q3821-M3825 HydrophobicContact CG-CE 4.31Å; Q3821-M3825 WeakPolarHBondContact O-CG 3.44Å; Q3821-M3825 PolarHBondContact O-N 3.42Å
3822	L	88.7	Confident	79.7	Confident	67.5 Å²	67.5	104.5 Å²	104.5	35%	0.353	56%	0.556	S	S	.	*	H	α-helix	trans	-55.2	-47.9	172.4	-76.1	169.9	0	0	0	111.4	I3818 V3824 M3825 G3826 W3827	I3818-L3822 HydrophobicContact CG2-CD1 3.95Å; I3818-L3822 HydrophobicContact CG2-CG 4.37Å; I3818-L3822 WeakPolarHBondContact O-CB 3.4Å; I3818-L3822 WeakPolarHBondContact O-CG 3.49Å; I3818-L3822 PolarHBondContact O-N 3.02Å; L3822-V3824 VanDerWaalsContact C-N 3.34Å; L3822-V3824 PolarHBondContact O-N 3.25Å; L3822-M3825 HydrophobicContact CD2-CE 3.95Å; L3822-M3825 HydrophobicContact CG-CE 4.48Å; L3822-M3825 CarbonylContact O-C 3.39Å; L3822-M3825 WeakPolarHBondContact O-CA 3.42Å; L3822-M3825 WeakPolarHBondContact O-CB 3.12Å; L3822-M3825 PolarHBondContact O-N 3.11Å; L3822-M3825 VanDerWaalsContact O-N 3.08Å; L3822-G3826 PolarHBondContact O-N 3.25Å; L3822-W3827 HydrophobicContact CB-CB 4.01Å; L3822-W3827 HydrophobicContact CD2-CB 4.23Å; L3822-W3827 HydrophobicContact CD2-CD2 4.08Å; L3822-W3827 HydrophobicContact CD2-CE3 4.46Å; L3822-W3827 HydrophobicContact CD2-CG 4.01Å; L3822-W3827 WeakPolarHBondContact O-CB 3.43Å; L3822-W3827 PolarHBondContact O-N 3.34Å
3823	R	84.2	Confident	77.4	Confident	164 Å²	164	110.4 Å²	110.4	62%	0.619	58%	0.577	S	S	*	*	H	α-helix	trans	-63	-37.5	177.7	-166.7	-179.4	-60.4	-163.4	-2.1	113.2	S3819 R3820 Q3821 M3825 G3826 W3827	S3819-R3823 WeakPolarHBondContact O-CB 3.42Å; S3819-R3823 PolarHBondContact O-N 3.05Å; S3819-R3823 VanDerWaalsContact O-N 3.07Å; R3820-R3823 PolarHBondContact O-N 3.06Å; Q3821-R3823 VanDerWaalsContact C-N 3.34Å; Q3821-R3823 PolarHBondContact O-N 3.21Å; R3823-M3825 VanDerWaalsContact C-N 3.3Å; R3823-M3825 PolarHBondContact O-N 3.17Å; R3823-G3826 PolarHBondContact O-N 3.3Å; R3823-G3826 VanDerWaalsContact O-N 3.14Å; R3823-W3827 WeakPolarHBondContact CA-O 3.4Å
3824	V	81.4	Confident	75.1	Confident	130.5 Å²	130.5	116.4 Å²	116.4	79%	0.791	60%	0.597	S	S	*	*	H	α-helix	trans	-66.4	-32.7	173.7	169.3	0	0	0	0	111.5	R3820 Q3821 L3822 G3826	R3820-V3824 WeakPolarHBondContact O-CG2 3.37Å; R3820-V3824 PolarHBondContact O-N 3.44Å; Q3821-V3824 PolarHBondContact O-N 3Å; L3822-V3824 VanDerWaalsContact C-N 3.34Å; L3822-V3824 PolarHBondContact O-N 3.25Å; V3824-G3826 PolarHBondContact O-N 3Å
3825	M	85.4	Confident	72.5	Confident	117.5 Å²	117.5	120.2 Å²	120.2	58%	0.579	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	10.8	171.2	-63.1	-175.2	-56.9	0	0	113.6	Q3821 L3822 R3823 W3827	Q3821-M3825 HydrophobicContact CG-CE 4.31Å; Q3821-M3825 WeakPolarHBondContact O-CG 3.44Å; Q3821-M3825 PolarHBondContact O-N 3.42Å; L3822-M3825 HydrophobicContact CD2-CE 3.95Å; L3822-M3825 HydrophobicContact CG-CE 4.48Å; L3822-M3825 CarbonylContact O-C 3.39Å; L3822-M3825 WeakPolarHBondContact O-CA 3.42Å; L3822-M3825 WeakPolarHBondContact O-CB 3.12Å; L3822-M3825 PolarHBondContact O-N 3.11Å; L3822-M3825 VanDerWaalsContact O-N 3.08Å; R3823-M3825 VanDerWaalsContact C-N 3.3Å; R3823-M3825 PolarHBondContact O-N 3.17Å; M3825-W3827 VanDerWaalsContact C-N 3.32Å; M3825-W3827 PolarHBondContact O-N 3.28Å
3826	G	83.1	Confident	69.8	Low	57.5 Å²	57.5	122.6 Å²	122.6	59%	0.593	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.8	3.4	178.1	0	0	0	0	0	115.8	L3822 R3823 V3824 I3828	L3822-G3826 PolarHBondContact O-N 3.25Å; R3823-G3826 PolarHBondContact O-N 3.3Å; R3823-G3826 VanDerWaalsContact O-N 3.14Å; V3824-G3826 PolarHBondContact O-N 3Å; G3826-I3828 PolarHBondContact O-N 3.16Å
3827	W	82.3	Confident	67.1	Low	171.5 Å²	171.5	120.8 Å²	120.8	65%	0.65	63%	0.629	S	S	*	*			trans	-79.3	108.5	177.9	-64.7	69.8	0	0	0	110.5	L3822 R3823 M3825	L3822-W3827 HydrophobicContact CB-CB 4.01Å; L3822-W3827 HydrophobicContact CD2-CB 4.23Å; L3822-W3827 HydrophobicContact CD2-CD2 4.08Å; L3822-W3827 HydrophobicContact CD2-CE3 4.46Å; L3822-W3827 HydrophobicContact CD2-CG 4.01Å; L3822-W3827 WeakPolarHBondContact O-CB 3.43Å; L3822-W3827 PolarHBondContact O-N 3.34Å; R3823-W3827 WeakPolarHBondContact CA-O 3.4Å; M3825-W3827 VanDerWaalsContact C-N 3.32Å; M3825-W3827 PolarHBondContact O-N 3.28Å
3828	I	79.8	Confident	64.4	Low	132.5 Å²	132.5	121.4 Å²	121.4	68%	0.679	64%	0.636	S	S	*	*			trans	-95.8	129.3	173.8	-56.9	174.7	0	0	0	107.9	G3826 V3830	G3826-I3828 PolarHBondContact O-N 3.16Å; I3828-V3830 PolarHBondContact O-N 2.91Å
3829	P	63.7	Low	61.5	Low	79 Å²	79	121.9 Å²	121.9	51%	0.513	65%	0.651	S	S	.	*			trans	-65.2	131.7	173.5	27.8	-33.5	0	0	0	110	D3831 G3832	P3829-D3831 PolarHBondContact O-N 3.13Å; P3829-D3831 VanDerWaalsContact O-N 3.15Å; P3829-G3832 PolarHBondContact O-N 3.12Å
3830	V	62.4	Low	58.8	Low	133.5 Å²	133.5	126.5 Å²	126.5	81%	0.809	67%	0.671	S	S	*	*			trans	-66.6	37.1	-179.1	179.7	0	0	0	0	110.3	I3828 G3832	I3828-V3830 PolarHBondContact O-N 2.91Å; V3830-G3832 VanDerWaalsContact C-N 3.29Å; V3830-G3832 PolarHBondContact O-N 3.04Å
3831	D	51.5	Low	56.2	Low	149 Å²	149	124.1 Å²	124.1	80%	0.797	68%	0.678	S	S	*	*			trans	-79.1	70.9	175.4	-65.4	-41.8	0	0	0	110.2	P3829 E3833	P3829-D3831 PolarHBondContact O-N 3.13Å; P3829-D3831 VanDerWaalsContact O-N 3.15Å; D3831-E3833 PolarHBondContact O-N 2.99Å; D3831-E3833 VanDerWaalsContact O-N 3.16Å
3832	G	38.7	Very low	53.5	Low	56.5 Å²	56.5	124.4 Å²	124.4	58%	0.582	69%	0.691	S	S	*	*			trans	-82.9	108.4	178.4	0	0	0	0	0	111.1	P3829 V3830 Q3834	P3829-G3832 PolarHBondContact O-N 3.12Å; V3830-G3832 VanDerWaalsContact C-N 3.29Å; V3830-G3832 PolarHBondContact O-N 3.04Å; G3832-Q3834 PolarHBondContact O-N 3.28Å
3833	E	39	Very low	50.7	Low	160.5 Å²	160.5	129.4 Å²	129.4	75%	0.75	71%	0.713	S	S	*	*			trans	-53.1	135.5	170.4	-68.5	-173.3	152.5	0	0	110.1	D3831 F3835	D3831-E3833 PolarHBondContact O-N 2.99Å; D3831-E3833 VanDerWaalsContact O-N 3.16Å; E3833-F3835 VanDerWaalsContact C-N 3.3Å; E3833-F3835 PolarHBondContact O-N 3.05Å
3834	Q	34.5	Very low	48.1	Very low	178 Å²	178	128.9 Å²	128.9	83%	0.832	72%	0.723	S	S	*	*			trans	-69.4	93.7	175.8	-69.6	-177.5	9.7	0	0	108.9	G3832 T3836	G3832-Q3834 PolarHBondContact O-N 3.28Å; Q3834-T3836 VanDerWaalsContact C-N 3.27Å; Q3834-T3836 PolarHBondContact O-N 3.08Å
3835	F	32.6	Very low	45.8	Very low	176 Å²	176	128.1 Å²	128.1	77%	0.772	72%	0.723	S	S	*	*			trans	-64.9	81.5	165.3	-83.2	-87.5	0	0	0	109.6	E3833 T3837	E3833-F3835 VanDerWaalsContact C-N 3.3Å; E3833-F3835 PolarHBondContact O-N 3.05Å; F3835-T3837 VanDerWaalsContact C-N 3.3Å; F3835-T3837 PolarHBondContact O-N 3.11Å; F3835-T3837 PolarHBondContact O-OG1 2.97Å
3836	T	32.4	Very low	43.2	Very low	100.5 Å²	100.5	129.6 Å²	129.6	62%	0.617	73%	0.733	S	S	*	*			trans	-58.6	109.5	159.8	51.6	0	0	0	0	107	Q3834 D3838	Q3834-T3836 VanDerWaalsContact C-N 3.27Å; Q3834-T3836 PolarHBondContact O-N 3.08Å; T3836-D3838 VanDerWaalsContact CB-OD2 3.3Å; T3836-D3838 WeakPolarHBondContact CB-OD2 3.46Å; T3836-D3838 PolarHBondContact O-N 3.22Å; T3836-D3838 PolarHBondContact OG1-OD2 3.36Å
3837	T	30.7	Very low	40.7	Very low	127 Å²	127	137.3 Å²	137.3	78%	0.779	75%	0.745	S	S	*	*			trans	-80	77.3	-176.9	-51.6	0	0	0	0	108.6	F3835 A3839	F3835-T3837 VanDerWaalsContact C-N 3.3Å; F3835-T3837 PolarHBondContact O-N 3.11Å; F3835-T3837 PolarHBondContact O-OG1 2.97Å; T3837-A3839 VanDerWaalsContact C-N 3.34Å; T3837-A3839 PolarHBondContact O-N 3.18Å
3838	D	30.9	Very low	38.4	Very low	127.5 Å²	127.5	136.2 Å²	136.2	68%	0.682	75%	0.751	S	S	*	*			trans	-70.1	84.6	175.8	-71.8	-42.1	0	0	0	109.6	T3836 N3840	T3836-D3838 VanDerWaalsContact CB-OD2 3.3Å; T3836-D3838 WeakPolarHBondContact CB-OD2 3.46Å; T3836-D3838 PolarHBondContact O-N 3.22Å; T3836-D3838 PolarHBondContact OG1-OD2 3.36Å; D3838-N3840 PolarHBondContact O-N 3.08Å
3839	A	29.9	Very low	36	Very low	84 Å²	84	136 Å²	136	69%	0.694	75%	0.751	S	S	*	*			trans	-73.2	66.3	-178.8	0	0	0	0	0	111.8	T3837 T3841	T3837-A3839 VanDerWaalsContact C-N 3.34Å; T3837-A3839 PolarHBondContact O-N 3.18Å; A3839-T3841 VanDerWaalsContact C-N 3.27Å; A3839-T3841 PolarHBondContact O-N 2.87Å
3840	N	30.6	Very low	34.5	Very low	149 Å²	149	138.8 Å²	138.8	80%	0.797	76%	0.761	S	S	*	*			trans	-115.6	71.7	175.3	-82.3	-43	0	0	0	111.5	D3838 S3842	D3838-N3840 PolarHBondContact O-N 3.08Å; N3840-S3842 PolarHBondContact O-N 3.18Å; N3840-S3842 VanDerWaalsContact O-N 3.11Å
3841	T	29.7	Very low	33	Very low	137 Å²	137	138 Å²	138	84%	0.84	76%	0.757	S	S	*	*			trans	-102.9	86.6	166.7	45	0	0	0	0	110.9	A3839	A3839-T3841 VanDerWaalsContact C-N 3.27Å; A3839-T3841 PolarHBondContact O-N 2.87Å
3842	S	31.6	Very low	31.8	Very low	113 Å²	113	138.3 Å²	138.3	79%	0.79	76%	0.759	S	S	*	*			trans	-97.3	119.9	164.2	59.9	0	0	0	0	110.5	N3840	N3840-S3842 PolarHBondContact O-N 3.18Å; N3840-S3842 VanDerWaalsContact O-N 3.11Å
3843	E	29.6	Very low	31.5	Very low	174 Å²	174	144.7 Å²	144.7	81%	0.813	77%	0.774	S	S	*	*			trans	-72	154.5	176.3	-59.2	178.6	144.2	0	0	112.2
3844	N	31.1	Very low	31	Very low	152.5 Å²	152.5	141.4 Å²	141.4	82%	0.816	77%	0.773	S	S	*	*			trans	62.9	123	170.3	-60.6	-59.5	0	0	0	116.8
3845	S	33.1	Very low	30.8	Very low	114.5 Å²	114.5	140.2 Å²	140.2	80%	0.801	77%	0.773	S	S	*	*				-148	124.1	80.5	59.7	0	0	0	0	112.8	R3847	S3845-R3847 PolarHBondContact O-N 3.23Å; S3845-R3847 VanDerWaalsContact O-N 3.16Å
3846	D	30.3	Very low	30.7	Very low	149 Å²	149	139.5 Å²	139.5	80%	0.797	78%	0.776	S	S	*	*			trans	-61.7	127.1	161.1	-96	-48.3	0	0	0	110.4
3847	R	30.9	Very low	30.5	Very low	219 Å²	219	142.2 Å²	142.2	83%	0.826	79%	0.786	S	S	*	*			trans	107	123	136.7	-78.7	167.4	166.5	-152.3	-7.5	116.8	S3845	S3845-R3847 PolarHBondContact O-N 3.23Å; S3845-R3847 VanDerWaalsContact O-N 3.16Å
3848	L	34.2	Very low	30.5	Very low	149 Å²	149	141.6 Å²	141.6	78%	0.78	79%	0.785	S	S	*	*				124.4	131.6	128.8	-84.7	165.6	0	0	0	115.8
3849	N	29.5	Very low	30.3	Very low	128.5 Å²	128.5	142 Å²	142	69%	0.687	79%	0.792	S	S	*	*			trans	19.1	143.7	150.3	-69.8	16.9	0	0	0	117.5
3850	D	31.6	Very low	30.4	Very low	136.5 Å²	136.5	142.8 Å²	142.8	73%	0.73	79%	0.792	S	S	*	*				130.8	114.8	115.7	-76.2	-29	0	0	0	116.3
3851	T	29.7	Very low	30.3	Very low	118 Å²	118	139 Å²	139	72%	0.724	79%	0.788	S	S	*	*			trans	1.4	123.9	147.7	52.1	0	0	0	0	115.1
3852	N	27.9	Very low	30.4	Very low	154 Å²	154	140.1 Å²	140.1	82%	0.824	79%	0.788	S	S	*	*			trans	116.5	129.8	138.5	-73.5	-26.4	0	0	0	115.5
3853	E	31	Very low	30.4	Very low	191.5 Å²	191.5	142.7 Å²	142.7	90%	0.895	79%	0.787	S	S	*	*			trans	140.8	111.8	138	-71	-159.1	156.1	0	0	113.8	N3855	E3853-N3855 PolarHBondContact O-N 3.25Å
3854	A	28.4	Very low	30.3	Very low	90.5 Å²	90.5	144.9 Å²	144.9	75%	0.748	79%	0.788	S	S	*	*			trans	-77.9	127.4	158.9	0	0	0	0	0	109.4
3855	N	30.6	Very low	30.4	Very low	153 Å²	153	143.1 Å²	143.1	82%	0.818	78%	0.783	S	S	*	*			trans	-177.4	162.8	144.6	-95.3	-47.1	0	0	0	110.8	E3853	E3853-N3855 PolarHBondContact O-N 3.25Å
3856	L	30.8	Very low	30.4	Very low	161 Å²	161	145.2 Å²	145.2	84%	0.843	78%	0.779	S	S	*	*			trans	70.3	74.5	169.9	-46.3	-175.6	0	0	0	117	P3858	L3856-P3858 WeakPolarHBondContact O-CD 3.35Å
3857	L	28.9	Very low	30.5	Very low	158 Å²	158	144.6 Å²	144.6	83%	0.827	78%	0.776	S	S	*	*			trans	-119	113.4	138.4	-95.5	164.5	0	0	0	110	T3859	L3857-T3859 HydrophobicContact CB-CG2 4.24Å; L3857-T3859 HydrophobicContact CD1-CG2 4.43Å; L3857-T3859 PolarHBondContact O-N 3.21Å
3858	P	30.7	Very low	30.5	Very low	115 Å²	115	142.8 Å²	142.8	75%	0.747	77%	0.774	S	S	*	*			trans	-81.8	97.2	169.1	31.3	-31.3	0	0	0	110.5	L3856 S3860	L3856-P3858 WeakPolarHBondContact O-CD 3.35Å; P3858-S3860 PolarHBondContact O-N 3.24Å
3859	T	27	Very low	30.3	Very low	135.5 Å²	135.5	142.8 Å²	142.8	83%	0.831	77%	0.774	S	S	*	*			trans	-73.3	83.8	174.4	51.1	0	0	0	0	111.4	L3857	L3857-T3859 HydrophobicContact CB-CG2 4.24Å; L3857-T3859 HydrophobicContact CD1-CG2 4.43Å; L3857-T3859 PolarHBondContact O-N 3.21Å
3860	S	30.6	Very low	30.4	Very low	101 Å²	101	143.6 Å²	143.6	71%	0.706	78%	0.777	S	S	*	*			trans	-141	123.6	165.3	51.3	0	0	0	0	110.2	P3858 L3862	P3858-S3860 PolarHBondContact O-N 3.24Å; S3860-L3862 PolarHBondContact O-N 3.41Å
3861	G	29.5	Very low	30.5	Very low	68 Å²	68	142.8 Å²	142.8	70%	0.701	78%	0.78	S	S	*	*				-133	144.1	-98.7	0	0	0	0	0	111.2	H3863	G3861-H3863 PolarHBondContact O-N 3.41Å
3862	L	31.8	Very low	30.3	Very low	161.5 Å²	161.5	146 Å²	146	85%	0.846	79%	0.787	S	S	*	*			trans	2.1	121.9	165.8	-59.9	174.9	0	0	0	112.5	S3860 R3864	S3860-L3862 PolarHBondContact O-N 3.41Å; L3862-R3864 PolarHBondContact O-N 3.04Å
3863	H	31.9	Very low	30.3	Very low	167 Å²	167	143.8 Å²	143.8	77%	0.773	78%	0.783	S	S	*	*				-94.3	139	86	-87.1	-159.8	0	0	0	108.9	G3861 T3865	G3861-H3863 PolarHBondContact O-N 3.41Å; H3863-T3865 PolarHBondContact O-N 3.18Å
3864	R	27.2	Very low	30.2	Very low	220.5 Å²	220.5	139.5 Å²	139.5	83%	0.832	77%	0.774	S	S	*	*				-7.7	123.9	125.2	-74.1	-175.7	170.2	-143.6	-3.4	110.7	L3862 H3866	L3862-R3864 PolarHBondContact O-N 3.04Å; R3864-H3866 VanDerWaalsContact C-N 3.32Å; R3864-H3866 PolarHBondContact O-CD2 2.89Å; R3864-H3866 VanDerWaalsContact O-CD2 3.3Å; R3864-H3866 PolarHBondContact O-N 3.09Å
3865	T	32.2	Very low	30.2	Very low	114.5 Å²	114.5	143.3 Å²	143.3	70%	0.702	78%	0.776	S	S	*	*				-101.5	137.3	102.7	47.9	0	0	0	0	109.6	H3863 L3867	H3863-T3865 PolarHBondContact O-N 3.18Å; T3865-L3867 VanDerWaalsContact C-N 3.26Å; T3865-L3867 PolarHBondContact O-N 2.92Å
3866	H	33.4	Very low	30.1	Very low	158 Å²	158	143.1 Å²	143.1	73%	0.731	77%	0.774	S	S	*	*				-98.9	126.6	88	-74.5	-92.8	0	0	0	109.6	R3864 F3868	R3864-H3866 VanDerWaalsContact C-N 3.32Å; R3864-H3866 PolarHBondContact O-CD2 2.89Å; R3864-H3866 VanDerWaalsContact O-CD2 3.3Å; R3864-H3866 PolarHBondContact O-N 3.09Å; H3866-F3868 HydrophobicContact CB-CD2 4.4Å; H3866-F3868 HydrophobicContact CB-CE2 4.07Å; H3866-F3868 VanDerWaalsContact O-CD2 3.27Å; H3866-F3868 WeakPolarHBondContact O-CD2 3.38Å; H3866-F3868 PolarHBondContact O-N 3.13Å
3867	L	32.2	Very low	30	Very low	136.5 Å²	136.5	141.9 Å²	141.9	72%	0.715	77%	0.768	S	S	*	*			trans	-80.2	134.6	163.6	-76.6	166.6	0	0	0	108.4	T3865 L3869	T3865-L3867 VanDerWaalsContact C-N 3.26Å; T3865-L3867 PolarHBondContact O-N 2.92Å; L3867-L3869 PolarHBondContact O-N 3.3Å; L3867-L3869 VanDerWaalsContact O-N 3.13Å
3868	F	31.1	Very low	29.9	Very low	182 Å²	182	144.8 Å²	144.8	80%	0.798	77%	0.768	S	S	*	*			trans	8.9	127.2	172.1	-59.7	-76	0	0	0	111	H3866 L3870	H3866-F3868 HydrophobicContact CB-CD2 4.4Å; H3866-F3868 HydrophobicContact CB-CE2 4.07Å; H3866-F3868 VanDerWaalsContact O-CD2 3.27Å; H3866-F3868 WeakPolarHBondContact O-CD2 3.38Å; H3866-F3868 PolarHBondContact O-N 3.13Å; F3868-L3870 PolarHBondContact O-N 3.4Å
3869	L	31.1	Very low	29.7	Very low	149 Å²	149	144.1 Å²	144.1	78%	0.78	77%	0.772	S	S	*	*				-99.6	112	83.6	-86.3	132.1	0	0	0	110.5	L3867 P3871	L3867-L3869 PolarHBondContact O-N 3.3Å; L3867-L3869 VanDerWaalsContact O-N 3.13Å; L3869-P3871 WeakPolarHBondContact O-CD 3.44Å
3870	L	30.7	Very low	29.7	Very low	144 Å²	144	143.3 Å²	143.3	75%	0.754	77%	0.771	S	S	*	*			trans	-67.7	134.2	154.8	-75.2	162.7	0	0	0	108	F3868 E3872	F3868-L3870 PolarHBondContact O-N 3.4Å; L3870-E3872 PolarHBondContact O-N 2.98Å; L3870-E3872 VanDerWaalsContact O-N 3.08Å
3871	P	33	Very low	29.7	Very low	120.5 Å²	120.5	143.6 Å²	143.6	78%	0.782	77%	0.773	S	S	*	*			trans	-69	87.8	169.5	29.5	-33.5	0	0	0	109.6	L3869 S3873	L3869-P3871 WeakPolarHBondContact O-CD 3.44Å; P3871-S3873 PolarHBondContact O-N 3.13Å
3872	E	27.2	Very low	29.7	Very low	185.5 Å²	185.5	151.5 Å²	151.5	87%	0.867	78%	0.782	S	S	*	*			trans	-68.5	92.7	173.6	-126.2	-176.9	177.1	0	0	109.8	L3870 S3874	L3870-E3872 PolarHBondContact O-N 2.98Å; L3870-E3872 VanDerWaalsContact O-N 3.08Å; E3872-S3874 PolarHBondContact O-N 3.09Å
3873	S	27.2	Very low	29.6	Very low	107 Å²	107	152.2 Å²	152.2	75%	0.748	78%	0.78	S	S	*	*			trans	-101.7	101.8	171.8	54.7	0	0	0	0	109.5	P3871 Q3875	P3871-S3873 PolarHBondContact O-N 3.13Å; S3873-Q3875 VanDerWaalsContact C-N 3.26Å; S3873-Q3875 PolarHBondContact O-N 3.16Å
3874	S	29.6	Very low	29.5	Very low	101 Å²	101	149.8 Å²	149.8	71%	0.706	78%	0.78	S	S	*	*				-127.7	126.7	-96	42.2	0	0	0	0	107.8	E3872	E3872-S3874 PolarHBondContact O-N 3.09Å
3875	Q	27.9	Very low	29.6	Very low	170.5 Å²	170.5	143.5 Å²	143.5	80%	0.797	77%	0.769	S	S	*	*			trans	54.9	111.5	149.2	-66.5	-178.8	30.6	0	0	117.9	S3873 N3877	S3873-Q3875 VanDerWaalsContact C-N 3.26Å; S3873-Q3875 PolarHBondContact O-N 3.16Å; Q3875-N3877 PolarHBondContact O-N 3.24Å
3876	I	28.1	Very low	29.7	Very low	148.5 Å²	148.5	145.9 Å²	145.9	76%	0.762	78%	0.777	S	S	*	*			trans	53.3	103.7	135.6	-62.2	167	0	0	0	116.6
3877	N	28.8	Very low	29.5	Very low	136.5 Å²	136.5	148.4 Å²	148.4	73%	0.73	78%	0.78	S	S	*	*			trans	145.2	118	141.6	-94.9	-43	0	0	0	118.4	Q3875	Q3875-N3877 PolarHBondContact O-N 3.24Å
3878	R	26.4	Very low	29.3	Very low	218 Å²	218	148.3 Å²	148.3	82%	0.823	79%	0.785	S	S	*	*			trans	66.3	97	145.1	-84.3	172.6	-168.5	-173.4	3.1	117.5	C3880	R3878-C3880 PolarHBondContact O-N 2.85Å; R3878-C3880 VanDerWaalsContact O-N 3.13Å
3879	A	26.9	Very low	29.2	Very low	100.5 Å²	100.5	145.5 Å²	145.5	83%	0.831	79%	0.787	S	S	*	*				4.4	97.7	98.1	0	0	0	0	0	112.6	S3881	A3879-S3881 PolarHBondContact O-N 3.37Å
3880	C	27.3	Very low	29	Very low	119.5 Å²	119.5	148.8 Å²	148.8	81%	0.807	79%	0.789	S	S	*	*			trans	-106.5	104.2	154.9	-84.1	0	0	0	0	107.8	R3878 R3882	R3878-C3880 PolarHBondContact O-N 2.85Å; R3878-C3880 VanDerWaalsContact O-N 3.13Å; C3880-R3882 VanDerWaalsContact C-N 3.33Å; C3880-R3882 PolarHBondContact O-N 3.46Å
3881	S	29.3	Very low	28.8	Very low	107 Å²	107	148.7 Å²	148.7	75%	0.748	79%	0.789	S	S	*	*				1.9	91.6	113	-168.6	0	0	0	0	112.2	A3879 Q3883	A3879-S3881 PolarHBondContact O-N 3.37Å; S3881-Q3883 PolarHBondContact O-N 2.98Å
3882	R	31	Very low	28.4	Very low	234 Å²	234	152.6 Å²	152.6	88%	0.883	79%	0.788	S	S	*	*			trans	-132.7	99.9	146.7	-88.2	174	171.3	-143.4	-2.8	110.4	C3880 P3884	C3880-R3882 VanDerWaalsContact C-N 3.33Å; C3880-R3882 PolarHBondContact O-N 3.46Å; R3882-P3884 VanDerWaalsContact O-CD 3.26Å; R3882-P3884 WeakPolarHBondContact O-CD 3.44Å
3883	Q	30	Very low	28.4	Very low	175.5 Å²	175.5	154.4 Å²	154.4	82%	0.82	79%	0.788	S	S	*	*			trans	-74.4	134	156.6	-66.7	-168.4	-42.7	0	0	109.4	S3881 S3885	S3881-Q3883 PolarHBondContact O-N 2.98Å; Q3883-S3885 PolarHBondContact O-N 2.89Å
3884	P	29.4	Very low	28.4	Very low	116.5 Å²	116.5	157.1 Å²	157.1	76%	0.756	79%	0.794	S	S	*	*				-108.4	128.3	126	23.5	-7.8	0	0	0	110.1	R3882 L3886	R3882-P3884 VanDerWaalsContact O-CD 3.26Å; R3882-P3884 WeakPolarHBondContact O-CD 3.44Å; P3884-L3886 PolarHBondContact O-N 2.76Å
3885	S	28.4	Very low	28.3	Very low	88 Å²	88	155.9 Å²	155.9	62%	0.615	80%	0.797	S	S	*	*				-0	82.6	99.4	-175.2	0	0	0	0	113.3	Q3883	Q3883-S3885 PolarHBondContact O-N 2.89Å
3886	L	34.5	Very low	28.4	Very low	165 Å²	165	154.9 Å²	154.9	86%	0.864	80%	0.803	S	S	*	*			trans	-119.5	119	153.8	-70.1	179.4	0	0	0	108.9	P3884	P3884-L3886 PolarHBondContact O-N 2.76Å
3887	R	28.6	Very low	28.3	Very low	212 Å²	212	151 Å²	151	80%	0.8	80%	0.799	S	S	*	*				7.9	122.1	111.1	-70.1	-174.6	174	-173.8	-0.9	113.6	C3889	R3887-C3889 PolarHBondContact O-N 3.27Å; R3887-C3889 VanDerWaalsContact O-N 3.1Å
3888	T	28.6	Very low	28.4	Very low	133 Å²	133	151.5 Å²	151.5	82%	0.816	81%	0.807	S	S	*	*			trans	11.7	138.8	157.2	2.5	0	0	0	0	116.7
3889	C	29.3	Very low	28.4	Very low	124.5 Å²	124.5	144.7 Å²	144.7	84%	0.841	81%	0.805	S	S	*	*			trans	-8	108.2	172.4	-67.1	0	0	0	0	112	R3887	R3887-C3889 PolarHBondContact O-N 3.27Å; R3887-C3889 VanDerWaalsContact O-N 3.1Å
3890	R	26.3	Very low	28.5	Very low	217 Å²	217	143.4 Å²	143.4	82%	0.819	80%	0.801	S	S	*	*				168	111.1	112	-166.2	-167.2	-179.6	167.2	2.8	112.2
3891	L	28.1	Very low	28.4	Very low	142 Å²	142	148 Å²	148	74%	0.743	81%	0.808	S	S	*	*			trans	-6.7	121	176	-104.8	64.9	0	0	0	112.1
3892	R	24.2	Very low	28.4	Very low	203.5 Å²	203.5	146.6 Å²	146.6	77%	0.768	81%	0.81	S	S	*	*				-15.4	121.7	129	-59.9	-177.9	-162.2	174.8	1.9	110.2
3893	Y	27.5	Very low	28.3	Very low	223 Å²	223	141 Å²	141	88%	0.875	81%	0.806	S	S	*	*			trans	-147.7	140.2	131.4	-108.7	-81.3	0	0	0	110.2	G3895	Y3893-G3895 PolarHBondContact O-N 2.85Å
3894	N	26.4	Very low	28.3	Very low	164.5 Å²	164.5	136 Å²	136	88%	0.88	80%	0.802	S	S	*	*			trans	-71.8	130.5	169.3	-63.5	0.2	0	0	0	108
3895	G	27.8	Very low	28.4	Very low	74 Å²	74	138.2 Å²	138.2	76%	0.763	81%	0.806	S	S	*	*			trans	-173.7	102.9	179.5	0	0	0	0	0	112.5	Y3893	Y3893-G3895 PolarHBondContact O-N 2.85Å
3896	T	28.5	Very low	28.5	Very low	150.5 Å²	150.5	137.4 Å²	137.4	92%	0.923	81%	0.812	S	S	*	*			trans	-47.2	134.6	167.1	-0	0	0	0	0	113.6
3897	G	27.5	Very low	28.3	Very low	66 Å²	66	135 Å²	135	68%	0.68	81%	0.809	S	S	*	*			trans	108.8	117.5	144.8	0	0	0	0	0	118.5
3898	V	30.5	Very low	28.4	Very low	148 Å²	148	133.3 Å²	133.3	90%	0.897	81%	0.81	S	S	*	*			trans	52.1	100.7	138.3	-165.2	0	0	0	0	119.1
3899	G	26	Very low	28.6	Very low	75 Å²	75	132.5 Å²	132.5	77%	0.773	81%	0.805	S	S	*	*			trans	36.1	129.8	141.4	0	0	0	0	0	119.5
3900	G	28.2	Very low	28.7	Very low	72 Å²	72	132.6 Å²	132.6	74%	0.742	80%	0.801	S	S	*	*			trans	-153.6	63.7	166.1	0	0	0	0	0	114.5	G3902	G3900-G3902 PolarHBondContact O-N 2.97Å
3901	F	27.2	Very low	28.9	Very low	218 Å²	218	128.1 Å²	128.1	96%	0.956	80%	0.798	S	S	*	*			trans	-15.5	119	174.2	-68	-86.6	0	0	0	116.7
3902	G	28.8	Very low	29.1	Very low	76.5 Å²	76.5	126.9 Å²	126.9	79%	0.789	80%	0.797	S	S	*	*			trans	154.4	110.9	158.3	0	0	0	0	0	114.7	G3900	G3900-G3902 PolarHBondContact O-N 2.97Å
3903	S	29.3	Very low	29.4	Very low	116 Å²	116	123.3 Å²	123.3	81%	0.811	80%	0.797	S	S	*	*				-141.5	133.2	74.6	-119	0	0	0	0	106.3
3904	G	28.4	Very low	29.7	Very low	71 Å²	71	118.4 Å²	118.4	73%	0.732	79%	0.791	S	S	*	*				75.7	81.1	60.3	0	0	0	0	0	110
3905	I	32.7	Very low	30.1	Very low	163 Å²	163	114.7 Å²	114.7	84%	0.836	78%	0.778	S	S	*	*				-120.1	139.3	94.6	51.6	178	0	0	0	107.7	S3907	I3905-S3907 PolarHBondContact O-N 2.95Å
3906	G	29.5	Very low	30.5	Very low	71.5 Å²	71.5	119.6 Å²	119.6	74%	0.737	78%	0.781	S	S	*	*				5.7	117.5	110.6	0	0	0	0	0	109.6	E3908	G3906-E3908 PolarHBondContact O-N 3.01Å
3907	S	31.1	Very low	30.8	Very low	115 Å²	115	119.3 Å²	119.3	80%	0.804	77%	0.773	S	S	*	*				-105.5	154.1	84.2	-59.7	0	0	0	0	108.2	I3905 T3909	I3905-S3907 PolarHBondContact O-N 2.95Å; S3907-T3909 PolarHBondContact O-N 2.92Å
3908	E	30.7	Very low	31.5	Very low	175 Å²	175	123.4 Å²	123.4	82%	0.818	78%	0.779	S	S	*	*				-113.8	138.4	104.4	-173.8	172.7	158.9	0	0	110.7	G3906 V3910	G3906-E3908 PolarHBondContact O-N 3.01Å; E3908-V3910 PolarHBondContact O-N 2.89Å
3909	T	32.5	Very low	32.3	Very low	117 Å²	117	124.6 Å²	124.6	72%	0.718	78%	0.775	S	S	*	*			trans	-23.8	106.3	174.9	53.3	0	0	0	0	116.2	S3907 T3911	S3907-T3909 PolarHBondContact O-N 2.92Å; T3909-T3911 PolarHBondContact O-N 2.75Å; T3909-T3911 VanDerWaalsContact O-N 3.12Å
3910	V	31.6	Very low	33.4	Very low	125.5 Å²	125.5	128 Å²	128	76%	0.761	78%	0.775	S	S	*	*			trans	-99.7	104.4	156.1	179	0	0	0	0	108.1	E3908 T3912	E3908-V3910 PolarHBondContact O-N 2.89Å; V3910-T3912 PolarHBondContact O-N 3.34Å
3911	T	29.6	Very low	34.3	Very low	123.5 Å²	123.5	132.2 Å²	132.2	76%	0.758	78%	0.781	S	S	*	*			trans	-76.9	98.4	175.1	29.7	0	0	0	0	110.5	T3909 V3913	T3909-T3911 PolarHBondContact O-N 2.75Å; T3909-T3911 VanDerWaalsContact O-N 3.12Å; T3911-V3913 PolarHBondContact O-N 3.44Å; T3911-V3913 VanDerWaalsContact O-N 3.17Å
3912	T	32.7	Very low	35.4	Very low	116.5 Å²	116.5	129.6 Å²	129.6	72%	0.715	78%	0.777	S	S	*	*			trans	-84.6	102.1	166.2	28.5	0	0	0	0	109.3	V3910 T3914	V3910-T3912 PolarHBondContact O-N 3.34Å; T3912-T3914 PolarHBondContact O-N 3.2Å
3913	V	30.8	Very low	36.2	Very low	127.5 Å²	127.5	131.6 Å²	131.6	77%	0.773	77%	0.769	S	S	*	*			trans	-79.6	98	174.4	-171.9	0	0	0	0	108.1	T3911 S3915	T3911-V3913 PolarHBondContact O-N 3.44Å; T3911-V3913 VanDerWaalsContact O-N 3.17Å; V3913-S3915 VanDerWaalsContact C-N 3.31Å; V3913-S3915 PolarHBondContact O-N 2.93Å
3914	T	34.2	Very low	37	Very low	121 Å²	121	134 Å²	134	74%	0.742	77%	0.768	S	S	*	*			trans	-99.8	78.6	171.6	47.1	0	0	0	0	109.1	T3912 Q3916	T3912-T3914 PolarHBondContact O-N 3.2Å; T3914-Q3916 VanDerWaalsContact C-N 3.26Å; T3914-Q3916 PolarHBondContact O-N 3.31Å
3915	S	35.2	Very low	37.5	Very low	86.5 Å²	86.5	139.2 Å²	139.2	61%	0.605	77%	0.765	S	S	*	*			trans	-64.9	109.8	159.8	50.9	0	0	0	0	107.7	V3913 L3917	V3913-S3915 VanDerWaalsContact C-N 3.31Å; V3913-S3915 PolarHBondContact O-N 2.93Å; S3915-L3917 VanDerWaalsContact C-N 3.34Å; S3915-L3917 PolarHBondContact O-N 3.31Å
3916	Q	34.8	Very low	37.7	Very low	176 Å²	176	136.2 Å²	136.2	82%	0.822	77%	0.765	S	S	*	*				-2.4	98.8	126.3	-66.2	166.1	-27	0	0	106.9	T3914	T3914-Q3916 VanDerWaalsContact C-N 3.26Å; T3914-Q3916 PolarHBondContact O-N 3.31Å
3917	L	36.4	Very low	38.4	Very low	145 Å²	145	140.3 Å²	140.3	76%	0.759	76%	0.763	S	S	*	*				-20.3	102.7	110.2	-63.5	178	0	0	0	107.6	S3915 E3919	S3915-L3917 VanDerWaalsContact C-N 3.34Å; S3915-L3917 PolarHBondContact O-N 3.31Å; L3917-E3919 PolarHBondContact O-N 3.31Å; L3917-E3919 VanDerWaalsContact O-N 3.15Å
3918	D	41.5	Very low	38.7	Very low	152.5 Å²	152.5	141.5 Å²	141.5	82%	0.816	76%	0.76	S	S	*	*			trans	-82.3	112.8	166.4	-104.5	-18.6	0	0	0	106.1	D3920	D3918-D3920 PolarHBondContact O-N 3.28Å
3919	E	47.8	Very low	39.4	Very low	173 Å²	173	141.4 Å²	141.4	81%	0.808	76%	0.762	S	S	*	*			trans	-100.9	48.5	177.3	-68.1	-168.2	157.5	0	0	109.9	L3917 D3921	L3917-E3919 PolarHBondContact O-N 3.31Å; L3917-E3919 VanDerWaalsContact O-N 3.15Å; E3919-D3921 VanDerWaalsContact C-N 3.3Å; E3919-D3921 PolarHBondContact O-N 3.19Å
3920	D	47.7	Very low	39.7	Very low	145 Å²	145	141.9 Å²	141.9	78%	0.775	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	100.5	-179.4	-83.6	-26.2	0	0	0	112.6	D3918	D3918-D3920 PolarHBondContact O-N 3.28Å
3921	D	48.6	Very low	40	Very low	160.5 Å²	160.5	143.3 Å²	143.3	86%	0.858	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-20.1	22.3	-179.5	-87.6	-9	0	0	0	114.8	E3919 D3923	E3919-D3921 VanDerWaalsContact C-N 3.3Å; E3919-D3921 PolarHBondContact O-N 3.19Å; D3921-D3923 PolarHBondContact O-N 3.1Å; D3921-D3923 VanDerWaalsContact O-N 3.08Å
3922	D	50.2	Low	40.3	Very low	164.5 Å²	164.5	140.1 Å²	140.1	88%	0.88	76%	0.755	S	S	*	*			trans	-85.6	32.6	165.1	-119.6	2.9	0	0	0	111.7	E3924	D3922-E3924 PolarHBondContact O-N 2.87Å
3923	D	45.1	Very low	40.4	Very low	117.5 Å²	117.5	143.2 Å²	143.2	63%	0.628	76%	0.762	S	S	*	*			trans	-100.4	71.8	174.8	-139.9	15.2	0	0	0	109.8	D3921 R3925	D3921-D3923 PolarHBondContact O-N 3.1Å; D3921-D3923 VanDerWaalsContact O-N 3.08Å; D3923-R3925 PolarHBondContact O-N 2.71Å; D3923-R3925 IonicContact OD2-NE 3.55Å; D3923-R3925 IonicContact OD2-NH2 3.74Å
3924	E	46	Very low	40.6	Very low	166.5 Å²	166.5	147.7 Å²	147.7	78%	0.778	77%	0.766	S	S	*	*			trans	-97.3	103.5	155.7	-90.7	-81	-172.3	0	0	108.5	D3922 A3926 F3927	D3922-E3924 PolarHBondContact O-N 2.87Å; E3924-A3926 PolarHBondContact O-N 2.93Å; E3924-F3927 WeakPolarHBondContact OE2-CD2 3.44Å; E3924-F3927 VanDerWaalsContact OE2-CE2 3.25Å; E3924-F3927 WeakPolarHBondContact OE2-CE2 3.45Å
3925	R	38.3	Very low	40.7	Very low	181 Å²	181	148.6 Å²	148.6	68%	0.683	77%	0.767	S	S	*	*			trans	-71	135.3	176	-69.5	-177.7	-176.3	-151.6	-2.9	108.3	D3923 F3927	D3923-R3925 PolarHBondContact O-N 2.71Å; D3923-R3925 IonicContact OD2-NE 3.55Å; D3923-R3925 IonicContact OD2-NH2 3.74Å; R3925-F3927 VanDerWaalsContact C-N 3.33Å; R3925-F3927 HydrophobicContact CB-CD2 4.13Å; R3925-F3927 HydrophobicContact CB-CE2 4.13Å; R3925-F3927 VanDerWaalsContact O-CD2 3.3Å; R3925-F3927 WeakPolarHBondContact O-CD2 3.45Å; R3925-F3927 PolarHBondContact O-N 3.04Å
3926	A	38.1	Very low	40.9	Very low	100.5 Å²	100.5	151.5 Å²	151.5	83%	0.831	77%	0.774	S	S	*	*			trans	-57.5	89.2	159.8	0	0	0	0	0	108.1	E3924 D3928	E3924-A3926 PolarHBondContact O-N 2.93Å; A3926-D3928 PolarHBondContact O-N 3.45Å
3927	F	43.2	Very low	40.9	Very low	157.5 Å²	157.5	148.8 Å²	148.8	69%	0.691	77%	0.765	S	S	*	*			trans	-74.1	108.6	165.7	-82.2	-77.9	0	0	0	107.6	E3924 R3925 M3929	E3924-F3927 WeakPolarHBondContact OE2-CD2 3.44Å; E3924-F3927 VanDerWaalsContact OE2-CE2 3.25Å; E3924-F3927 WeakPolarHBondContact OE2-CE2 3.45Å; R3925-F3927 VanDerWaalsContact C-N 3.33Å; R3925-F3927 HydrophobicContact CB-CD2 4.13Å; R3925-F3927 HydrophobicContact CB-CE2 4.13Å; R3925-F3927 VanDerWaalsContact O-CD2 3.3Å; R3925-F3927 WeakPolarHBondContact O-CD2 3.45Å; R3925-F3927 PolarHBondContact O-N 3.04Å; F3927-M3929 PolarHBondContact O-N 2.83Å
3928	D	37.5	Very low	41	Very low	139.5 Å²	139.5	148.5 Å²	148.5	75%	0.746	76%	0.763	S	S	*	*			trans	-60.7	100	175.1	-171.7	18.6	0	0	0	107.8	A3926 N3930	A3926-D3928 PolarHBondContact O-N 3.45Å; D3928-N3930 PolarHBondContact O-N 2.93Å
3929	M	45.8	Very low	40.7	Very low	173 Å²	173	150.3 Å²	150.3	85%	0.852	76%	0.764	S	S	*	*			trans	-75.9	65.7	174.3	-73.2	-115.1	171.3	0	0	108.5	F3927 N3931	F3927-M3929 PolarHBondContact O-N 2.83Å; M3929-N3931 PolarHBondContact O-N 2.71Å; M3929-N3931 PolarHBondContact O-OD1 2.85Å
3930	N	37.9	Very low	40	Very low	127.5 Å²	127.5	149.4 Å²	149.4	68%	0.682	76%	0.76	S	S	*	*			trans	-63.4	141.8	166.6	-163	-10.2	0	0	0	107.6	D3928 G3932	D3928-N3930 PolarHBondContact O-N 2.93Å; N3930-G3932 PolarHBondContact O-N 3.03Å
3931	N	38.8	Very low	39.4	Very low	154.5 Å²	154.5	151.6 Å²	151.6	83%	0.826	77%	0.765	S	S	*	*			trans	-73.2	99.5	-166.4	-59.8	-65.5	0	0	0	111.1	M3929 E3933	M3929-N3931 PolarHBondContact O-N 2.71Å; M3929-N3931 PolarHBondContact O-OD1 2.85Å; N3931-E3933 VanDerWaalsContact C-N 3.25Å; N3931-E3933 PolarHBondContact O-N 2.82Å
3932	G	35.2	Very low	38.7	Very low	57.5 Å²	57.5	150.6 Å²	150.6	59%	0.593	76%	0.76	S	S	*	*			trans	-117.4	92	174.5	0	0	0	0	0	111.6	N3930 Y3934	N3930-G3932 PolarHBondContact O-N 3.03Å; G3932-Y3934 WeakPolarHBondContact O-CD2 3.42Å; G3932-Y3934 PolarHBondContact O-N 2.72Å
3933	E	34.9	Very low	37.7	Very low	181 Å²	181	145.5 Å²	145.5	85%	0.846	75%	0.746	S	S	*	*			trans	-4.3	102	146.1	-166.8	163.4	-136	0	0	114	N3931 D3935	N3931-E3933 VanDerWaalsContact C-N 3.25Å; N3931-E3933 PolarHBondContact O-N 2.82Å; E3933-D3935 PolarHBondContact O-N 3.14Å
3934	Y	36.7	Very low	37.2	Very low	221.5 Å²	221.5	147.2 Å²	147.2	87%	0.869	75%	0.754	S	S	*	*			trans	-107	107.3	162.2	-92.8	-84.7	0	0	0	108.1	G3932 I3936	G3932-Y3934 WeakPolarHBondContact O-CD2 3.42Å; G3932-Y3934 PolarHBondContact O-N 2.72Å; Y3934-I3936 PolarHBondContact O-N 2.77Å
3935	D	35	Very low	36.4	Very low	140 Å²	140	146.3 Å²	146.3	75%	0.749	75%	0.754	S	S	*	*			trans	-81.9	108.3	173.6	-113.4	-17.7	0	0	0	109	E3933 D3937	E3933-D3935 PolarHBondContact O-N 3.14Å; D3935-D3937 VanDerWaalsContact C-N 3.33Å; D3935-D3937 PolarHBondContact O-N 2.8Å
3936	I	40.4	Very low	36	Very low	147 Å²	147	144.6 Å²	144.6	75%	0.754	76%	0.759	S	S	*	*			trans	-108.8	100.4	165.2	-58.6	179.4	0	0	0	106.5	Y3934 L3938	Y3934-I3936 PolarHBondContact O-N 2.77Å; I3936-L3938 PolarHBondContact O-N 3.1Å
3937	D	33.4	Very low	35.5	Very low	120 Å²	120	148.1 Å²	148.1	64%	0.642	76%	0.763	S	S	*	*			trans	-55.7	111.9	169.2	-77.7	-56.1	0	0	0	110.6	D3935 F3939	D3935-D3937 VanDerWaalsContact C-N 3.33Å; D3935-D3937 PolarHBondContact O-N 2.8Å; D3937-F3939 HydrophobicContact CB-CD2 4.18Å; D3937-F3939 HydrophobicContact CB-CE2 3.72Å; D3937-F3939 HydrophobicContact CB-CZ 4.22Å; D3937-F3939 WeakPolarHBondContact O-CD2 3.47Å; D3937-F3939 PolarHBondContact O-N 3.49Å
3938	L	38.3	Very low	34.9	Very low	138.5 Å²	138.5	144 Å²	144	73%	0.725	77%	0.766	S	S	*	*			trans	-123.6	98.2	146.1	-145.3	70.1	0	0	0	109.6	I3936 H3940	I3936-L3938 PolarHBondContact O-N 3.1Å; L3938-H3940 PolarHBondContact O-N 2.77Å; L3938-H3940 PolarHBondContact O-ND1 2.72Å
3939	F	35.4	Very low	34.4	Very low	190 Å²	190	142.9 Å²	142.9	83%	0.833	77%	0.769	S	S	*	*			trans	-126.2	88.3	155	-80.7	-70.3	0	0	0	109.7	D3937 E3941	D3937-F3939 HydrophobicContact CB-CD2 4.18Å; D3937-F3939 HydrophobicContact CB-CE2 3.72Å; D3937-F3939 HydrophobicContact CB-CZ 4.22Å; D3937-F3939 WeakPolarHBondContact O-CD2 3.47Å; D3937-F3939 PolarHBondContact O-N 3.49Å; F3939-E3941 PolarHBondContact O-N 3.15Å
3940	H	33.1	Very low	33.6	Very low	153.5 Å²	153.5	144.6 Å²	144.6	71%	0.711	77%	0.767	S	S	*	*			trans	-68.6	124	177.6	-97.3	57.1	0	0	0	109.9	L3938 N3942	L3938-H3940 PolarHBondContact O-N 2.77Å; L3938-H3940 PolarHBondContact O-ND1 2.72Å; H3940-N3942 PolarHBondContact CD2-ND2 3.05Å; H3940-N3942 PolarHBondContact NE2-ND2 3Å; H3940-N3942 PolarHBondContact O-N 3.48Å
3941	E	36	Very low	33.2	Very low	192 Å²	192	144.9 Å²	144.9	90%	0.897	77%	0.769	S	S	*	*			trans	-104.3	92.6	161.1	-168.3	172	-168.4	0	0	109.9	F3939 G3943	F3939-E3941 PolarHBondContact O-N 3.15Å; E3941-G3943 VanDerWaalsContact C-N 3.32Å; E3941-G3943 PolarHBondContact O-N 2.93Å
3942	N	32.6	Very low	32.9	Very low	140.5 Å²	140.5	144 Å²	144	75%	0.751	76%	0.762	S	S	*	*			trans	-79.4	104.7	-174.8	-86.9	-23.5	0	0	0	111.9	H3940	H3940-N3942 PolarHBondContact CD2-ND2 3.05Å; H3940-N3942 PolarHBondContact NE2-ND2 3Å; H3940-N3942 PolarHBondContact O-N 3.48Å
3943	G	29.7	Very low	32.6	Very low	56.5 Å²	56.5	147.2 Å²	147.2	58%	0.582	77%	0.766	S	S	*	*			trans	56	96.1	140.2	0	0	0	0	0	118	E3941 N3945	E3941-G3943 VanDerWaalsContact C-N 3.32Å; E3941-G3943 PolarHBondContact O-N 2.93Å; G3943-N3945 PolarHBondContact O-N 3.19Å
3944	I	35.5	Very low	32.2	Very low	153.5 Å²	153.5	145.9 Å²	145.9	79%	0.787	77%	0.765	S	S	*	*			trans	-92.6	93.7	150.4	-61.6	130.3	0	0	0	108.8	N3946	I3944-N3946 HydrophobicContact CG2-CB 4.17Å; I3944-N3946 PolarHBondContact O-N 3.29Å
3945	N	28.8	Very low	31.9	Very low	147 Å²	147	144 Å²	144	79%	0.786	76%	0.764	S	S	*	*			trans	-76.1	104	166.9	54.5	-26.5	0	0	0	110.6	G3943 N3947	G3943-N3945 PolarHBondContact O-N 3.19Å; N3945-N3947 PolarHBondContact O-N 3.06Å
3946	N	30	Very low	31.5	Very low	146 Å²	146	142.8 Å²	142.8	78%	0.781	77%	0.767	S	S	*	*			trans	-104.9	116.3	167	-92	-49.8	0	0	0	112.4	I3944 G3948	I3944-N3946 HydrophobicContact CG2-CB 4.17Å; I3944-N3946 PolarHBondContact O-N 3.29Å; N3946-G3948 PolarHBondContact O-N 3.03Å
3947	N	28.3	Very low	30.9	Very low	173.5 Å²	173.5	139.3 Å²	139.3	93%	0.928	77%	0.767	S	S	*	*			trans	-124	106	159.9	-81.1	-41.8	0	0	0	110	N3945	N3945-N3947 PolarHBondContact O-N 3.06Å
3948	G	30.3	Very low	30.6	Very low	72 Å²	72	141.5 Å²	141.5	74%	0.742	77%	0.774	S	S	*	*			trans	-169.7	83.3	-177.4	0	0	0	0	0	114.3	N3946 Y3950	N3946-G3948 PolarHBondContact O-N 3.03Å; G3948-Y3950 PolarHBondContact O-N 3.46Å; G3948-Y3950 VanDerWaalsContact O-N 3.15Å
3949	S	27	Very low	30	Very low	115 Å²	115	145 Å²	145	80%	0.804	78%	0.783	S	S	*	*			trans	-35.8	117	169.6	170.1	0	0	0	0	114.8
3950	Y	28.8	Very low	29.6	Very low	209 Å²	209	140.9 Å²	140.9	82%	0.82	78%	0.778	S	S	*	*			trans	-78.4	126.1	151	-81.5	-85.3	0	0	0	113.7	G3948 I3952	G3948-Y3950 PolarHBondContact O-N 3.46Å; G3948-Y3950 VanDerWaalsContact O-N 3.15Å; Y3950-I3952 HydrophobicContact CD1-CD1 4.21Å
3951	N	28.1	Very low	29.2	Very low	134 Å²	134	140.2 Å²	140.2	72%	0.717	79%	0.785	S	S	*	*			trans	-122.6	100.9	161.9	-165.5	1.6	0	0	0	109.6	N3953	N3951-N3953 VanDerWaalsContact C-N 3.34Å; N3951-N3953 PolarHBondContact O-N 3.46Å; N3951-N3953 PolarHBondContact OD1-ND2 2.84Å; N3951-N3953 VanDerWaalsContact OD1-ND2 3.17Å
3952	I	32.9	Very low	28.7	Very low	135.5 Å²	135.5	142.2 Å²	142.2	70%	0.695	78%	0.784	S	S	*	*			trans	-106.2	90.2	175.3	-57.6	173.7	0	0	0	108.9	Y3950	Y3950-I3952 HydrophobicContact CD1-CD1 4.21Å
3953	N	30.2	Very low	28.4	Very low	125 Å²	125	141.3 Å²	141.3	67%	0.668	79%	0.789	S	S	*	*			trans	-48.9	123.7	159.7	-62.6	-33.7	0	0	0	114.2	N3951 E3955	N3951-N3953 VanDerWaalsContact C-N 3.34Å; N3951-N3953 PolarHBondContact O-N 3.46Å; N3951-N3953 PolarHBondContact OD1-ND2 2.84Å; N3951-N3953 VanDerWaalsContact OD1-ND2 3.17Å; N3953-E3955 PolarHBondContact O-N 3.18Å; N3953-E3955 VanDerWaalsContact O-N 3.08Å
3954	N	25.9	Very low	28.1	Very low	154.5 Å²	154.5	141.6 Å²	141.6	83%	0.826	79%	0.792	S	S	*	*			trans	-47.9	112.4	166.5	-63.9	-41.3	0	0	0	113
3955	E	29.8	Very low	27.7	Very low	180.5 Å²	180.5	144.2 Å²	144.2	84%	0.843	80%	0.798	S	S	*	*			trans	-148.7	112.2	142.5	-87.7	-174.7	-178.7	0	0	112.8	N3953 G3957	N3953-E3955 PolarHBondContact O-N 3.18Å; N3953-E3955 VanDerWaalsContact O-N 3.08Å; E3955-G3957 PolarHBondContact O-N 3.45Å
3956	S	27.3	Very low	27.6	Very low	115 Å²	115	146.1 Å²	146.1	80%	0.804	80%	0.802	S	S	*	*			trans	52.3	84.6	150.9	64.9	0	0	0	0	119.5	Q3958	S3956-Q3958 PolarHBondContact O-N 2.92Å
3957	G	27.9	Very low	27.4	Very low	74 Å²	74	142.5 Å²	142.5	76%	0.763	80%	0.798	S	S	*	*			trans	-124.2	70.2	167.9	0	0	0	0	0	111.9	E3955 F3959	E3955-G3957 PolarHBondContact O-N 3.45Å; G3957-F3959 PolarHBondContact O-N 3.19Å
3958	Q	26.2	Very low	27.4	Very low	167 Å²	167	140.7 Å²	140.7	78%	0.78	79%	0.789	S	S	*	*			trans	-71.6	113.7	-174.6	-67	178.7	1.2	0	0	112.9	S3956	S3956-Q3958 PolarHBondContact O-N 2.92Å
3959	F	25.6	Very low	27.3	Very low	210 Å²	210	145.9 Å²	145.9	92%	0.921	79%	0.794	S	S	*	*			trans	-118.1	108.6	148.5	-84.9	-75.5	0	0	0	109.7	G3957 T3961	G3957-F3959 PolarHBondContact O-N 3.19Å; F3959-T3961 PolarHBondContact O-N 3.5Å
3960	S	26.5	Very low	27.4	Very low	104 Å²	104	150.7 Å²	150.7	73%	0.727	80%	0.796	S	S	*	*			trans	-77.4	118.8	-170.3	-58.7	0	0	0	0	112.9	R3962	S3960-R3962 PolarHBondContact O-N 3.23Å
3961	T	25.8	Very low	27.6	Very low	140 Å²	140	148.1 Å²	148.1	86%	0.859	80%	0.795	S	S	*	*			trans	-62.3	116.8	158.6	45.2	0	0	0	0	109.6	F3959 S3963	F3959-T3961 PolarHBondContact O-N 3.5Å; T3961-S3963 PolarHBondContact O-N 3.31Å; T3961-S3963 VanDerWaalsContact O-N 3.16Å
3962	R	25.3	Very low	27.8	Very low	233.5 Å²	233.5	147.8 Å²	147.8	88%	0.881	80%	0.797	S	S	*	*			trans	-87.4	104.9	177.9	-171.1	179.3	-177.2	-152.9	-0.1	110.4	S3960	S3960-R3962 PolarHBondContact O-N 3.23Å
3963	S	25.6	Very low	27.6	Very low	122 Å²	122	148.8 Å²	148.8	85%	0.853	80%	0.804	S	S	*	*			trans	-68.9	137.3	173.2	119.3	0	0	0	0	112.2	T3961	T3961-S3963 PolarHBondContact O-N 3.31Å; T3961-S3963 VanDerWaalsContact O-N 3.16Å
3964	G	23.8	Very low	27.5	Very low	62 Å²	62	145.7 Å²	145.7	64%	0.639	80%	0.802	S	S	*	*			trans	156	125.1	167.6	0	0	0	0	0	112.5
3965	F	27.9	Very low	27.7	Very low	208 Å²	208	146.8 Å²	146.8	91%	0.912	80%	0.802	S	S	*	*				160.8	131.3	89.6	-73.4	-101.3	0	0	0	115.7
3966	H	26.7	Very low	27.7	Very low	188.5 Å²	188.5	142.9 Å²	142.9	87%	0.873	79%	0.79	S	S	*	*			trans	-78.7	133.7	157	-79	-29.7	0	0	0	109.1
3967	G	25.5	Very low	28	Very low	68.5 Å²	68.5	142 Å²	142	71%	0.706	78%	0.782	S	S	*	*			trans	-155.6	99	160.8	0	0	0	0	0	110.4	E3969	G3967-E3969 VanDerWaalsContact C-N 3.26Å; G3967-E3969 PolarHBondContact O-N 2.85Å
3968	D	27.4	Very low	28.2	Very low	136 Å²	136	148.8 Å²	148.8	73%	0.727	78%	0.784	S	S	*	*			trans	-24	98.8	168.6	-54.2	-28.6	0	0	0	115.7	Y3970	D3968-Y3970 WeakPolarHBondContact O-CD2 3.33Å; D3968-Y3970 PolarHBondContact O-N 2.86Å; D3968-Y3970 VanDerWaalsContact O-N 3.14Å
3969	E	29.9	Very low	28.7	Very low	181.5 Å²	181.5	148.1 Å²	148.1	85%	0.848	78%	0.781	S	S	*	*			trans	-11.9	97.2	147.2	-124.2	-173.7	-162.5	0	0	113.7	G3967 I3971	G3967-E3969 VanDerWaalsContact C-N 3.26Å; G3967-E3969 PolarHBondContact O-N 2.85Å; E3969-I3971 VanDerWaalsContact C-N 3.31Å; E3969-I3971 PolarHBondContact O-N 2.67Å
3970	Y	28.4	Very low	29.1	Very low	216 Å²	216	146.4 Å²	146.4	85%	0.847	77%	0.77	S	S	*	*			trans	-98.9	116.3	159.6	-79.1	-85.9	0	0	0	111	D3968 V3972	D3968-Y3970 WeakPolarHBondContact O-CD2 3.33Å; D3968-Y3970 PolarHBondContact O-N 2.86Å; D3968-Y3970 VanDerWaalsContact O-N 3.14Å; Y3970-V3972 VanDerWaalsContact C-N 3.27Å; Y3970-V3972 PolarHBondContact O-N 2.82Å
3971	I	32.6	Very low	29.8	Very low	155.5 Å²	155.5	145 Å²	145	80%	0.797	75%	0.754	S	S	*	*			trans	-72.2	111.7	166.9	-60.6	168.7	0	0	0	107	E3969 D3973	E3969-I3971 VanDerWaalsContact C-N 3.31Å; E3969-I3971 PolarHBondContact O-N 2.67Å; I3971-D3973 PolarHBondContact O-N 2.99Å
3972	V	32.2	Very low	30.7	Very low	126.5 Å²	126.5	143.7 Å²	143.7	77%	0.767	75%	0.746	S	S	*	*			trans	-106.1	129.3	166.9	178.7	0	0	0	0	107	Y3970 G3974	Y3970-V3972 VanDerWaalsContact C-N 3.27Å; Y3970-V3972 PolarHBondContact O-N 2.82Å; V3972-G3974 PolarHBondContact O-N 2.67Å
3973	D	29.6	Very low	31.6	Very low	156 Å²	156	139.4 Å²	139.4	83%	0.834	74%	0.736	S	S	*	*			trans	-62.8	97.5	-179.8	-56.9	-67.9	0	0	0	112.7	I3971 E3975	I3971-D3973 PolarHBondContact O-N 2.99Å; D3973-E3975 VanDerWaalsContact C-N 3.25Å; D3973-E3975 PolarHBondContact O-N 2.77Å
3974	G	28.6	Very low	32.6	Very low	60.5 Å²	60.5	139.8 Å²	139.8	62%	0.624	72%	0.722	S	S	*	*			trans	-125.7	101.7	171.8	0	0	0	0	0	110.5	V3972 V3976	V3972-G3974 PolarHBondContact O-N 2.67Å; G3974-V3976 VanDerWaalsContact C-N 3.31Å; G3974-V3976 PolarHBondContact O-N 3.3Å
3975	E	29.2	Very low	33.4	Very low	178 Å²	178	142.8 Å²	142.8	83%	0.832	71%	0.714	S	S	*	*			trans	-61.4	106.5	175	-64.2	-177.4	133.2	0	0	110.1	D3973 P3977	D3973-E3975 VanDerWaalsContact C-N 3.25Å; D3973-E3975 PolarHBondContact O-N 2.77Å; E3975-P3977 WeakPolarHBondContact O-CD 3.39Å
3976	V	30.5	Very low	34.2	Very low	98.5 Å²	98.5	134.9 Å²	134.9	60%	0.597	68%	0.683	S	S	*	*			trans	-82.4	114.2	168.5	-179.7	0	0	0	0	107.2	G3974 W3978	G3974-V3976 VanDerWaalsContact C-N 3.31Å; G3974-V3976 PolarHBondContact O-N 3.3Å; V3976-W3978 PolarHBondContact O-N 3.22Å
3977	P	32	Very low	34.9	Very low	96.5 Å²	96.5	132.1 Å²	132.1	63%	0.627	67%	0.67	S	S	*	*			trans	-62.1	116.3	-178.6	-23.6	35	0	0	0	110.5	E3975 Q3979	E3975-P3977 WeakPolarHBondContact O-CD 3.39Å; P3977-Q3979 PolarHBondContact O-N 3.39Å
3978	W	33.2	Very low	36	Very low	215.5 Å²	215.5	136 Å²	136	82%	0.816	67%	0.67	S	S	*	*	S	Bend	trans	-69.9	5.7	-177.6	-59.8	91.8	0	0	0	114	V3976 Y3980	V3976-W3978 PolarHBondContact O-N 3.22Å; W3978-Y3980 VanDerWaalsContact C-N 3.25Å; W3978-Y3980 PolarHBondContact O-N 3.15Å; W3978-Y3980 VanDerWaalsContact O-N 3.12Å
3979	Q	36.2	Very low	36.6	Very low	154 Å²	154	133.6 Å²	133.6	72%	0.72	66%	0.657	S	S	*	*			trans	-87.8	55.4	-179.3	-160.1	163.2	13.2	0	0	111.1	P3977 D3981	P3977-Q3979 PolarHBondContact O-N 3.39Å; Q3979-D3981 PolarHBondContact O-N 3.37Å
3980	Y	34.4	Very low	37.3	Very low	173.5 Å²	173.5	130.1 Å²	130.1	68%	0.68	64%	0.639	S	S	*	*			trans	-80.1	104.2	166.4	-103.7	-94.6	0	0	0	109.1	W3978 V3982 K3984 W3985	W3978-Y3980 VanDerWaalsContact C-N 3.25Å; W3978-Y3980 PolarHBondContact O-N 3.15Å; W3978-Y3980 VanDerWaalsContact O-N 3.12Å; Y3980-V3982 PolarHBondContact O-N 3.17Å; Y3980-K3984 HydrophobicContact CD1-CB 4.49Å; Y3980-W3985 HydrophobicContact CD1-CB 4.5Å
3981	D	41.6	Very low	37.8	Very low	73.5 Å²	73.5	122.5 Å²	122.5	39%	0.393	63%	0.627	S	S	.	*			trans	-49.7	122.2	176.1	-57.8	-51.4	0	0	0	111.3	Q3979 E3983 K3984 W3985	Q3979-D3981 PolarHBondContact O-N 3.37Å; D3981-E3983 HydrophobicContact CB-CB 4.47Å; D3981-E3983 PolarHBondContact O-N 3.36Å; D3981-E3983 VanDerWaalsContact O-N 3.11Å; D3981-K3984 HydrophobicContact CB-CB 4.07Å; D3981-K3984 HydrophobicContact CB-CD 4.4Å; D3981-K3984 HydrophobicContact CB-CG 4.2Å; D3981-K3984 PolarHBondContact O-N 3.29Å; D3981-K3984 WeakPolarHBondContact OD2-CD 3.45Å; D3981-K3984 WeakPolarHBondContact OD2-CE 3.48Å; D3981-K3984 IonicContact OD2-NZ 2.78Å; D3981-K3984 PolarHBondContact OD2-NZ 3.05Å; D3981-W3985 PolarHBondContact O-N 2.92Å
3982	V	43.3	Very low	38	Very low	113.5 Å²	113.5	121.1 Å²	121.1	69%	0.688	62%	0.616	S	S	*	*	H	α-helix	trans	-56.3	-31.2	172.1	178.3	0	0	0	0	110.4	Y3980 K3984 W3985 T3986	Y3980-V3982 PolarHBondContact O-N 3.17Å; V3982-K3984 VanDerWaalsContact C-N 3.28Å; V3982-K3984 PolarHBondContact O-N 3.49Å; V3982-W3985 PolarHBondContact O-N 3.02Å; V3982-T3986 HydrophobicContact CG1-CG2 4.37Å; V3982-T3986 WeakPolarHBondContact O-CB 3.28Å; V3982-T3986 VanDerWaalsContact O-CG2 3.31Å; V3982-T3986 WeakPolarHBondContact O-CG2 3.14Å; V3982-T3986 PolarHBondContact O-N 3.24Å; V3982-T3986 PolarHBondContact O-OG1 3.13Å
3983	E	45.4	Very low	38.3	Very low	142.5 Å²	142.5	119.1 Å²	119.1	67%	0.666	61%	0.608	S	S	*	*	H	α-helix	trans	-65.4	-34.5	175.4	-59.4	-166.2	152.7	0	0	113.6	D3981 W3985 T3986 H3987	D3981-E3983 HydrophobicContact CB-CB 4.47Å; D3981-E3983 PolarHBondContact O-N 3.36Å; D3981-E3983 VanDerWaalsContact O-N 3.11Å; E3983-W3985 PolarHBondContact O-N 3.11Å; E3983-T3986 WeakPolarHBondContact CA-OG1 3.5Å; E3983-T3986 PolarHBondContact O-N 3.03Å; E3983-T3986 PolarHBondContact O-OG1 3.15Å; E3983-T3986 VanDerWaalsContact O-OG1 3.04Å; E3983-H3987 VanDerWaalsContact O-CB 3.24Å; E3983-H3987 WeakPolarHBondContact O-CB 3.44Å; E3983-H3987 PolarHBondContact O-N 3.04Å; E3983-H3987 PolarHBondContact O-ND1 2.9Å
3984	K	45.4	Very low	38.8	Very low	131.5 Å²	131.5	119 Å²	119	57%	0.572	60%	0.603	S	S	*	*	H	α-helix	trans	-71.3	-36.5	175.2	-75.7	178.6	-177.4	131.9	0	112.3	Y3980 D3981 V3982 T3986 H3987 Q3988	Y3980-K3984 HydrophobicContact CD1-CB 4.49Å; D3981-K3984 HydrophobicContact CB-CB 4.07Å; D3981-K3984 HydrophobicContact CB-CD 4.4Å; D3981-K3984 HydrophobicContact CB-CG 4.2Å; D3981-K3984 PolarHBondContact O-N 3.29Å; D3981-K3984 WeakPolarHBondContact OD2-CD 3.45Å; D3981-K3984 WeakPolarHBondContact OD2-CE 3.48Å; D3981-K3984 IonicContact OD2-NZ 2.78Å; D3981-K3984 PolarHBondContact OD2-NZ 3.05Å; V3982-K3984 VanDerWaalsContact C-N 3.28Å; V3982-K3984 PolarHBondContact O-N 3.49Å; K3984-T3986 PolarHBondContact O-N 3.26Å; K3984-H3987 PolarHBondContact O-N 3.19Å; K3984-Q3988 WeakPolarHBondContact O-CB 3.27Å; K3984-Q3988 PolarHBondContact O-N 3.26Å; K3984-Q3988 VanDerWaalsContact O-N 3.1Å
3985	W	41.8	Very low	39.2	Very low	125.5 Å²	125.5	121.1 Å²	121.1	48%	0.475	60%	0.599	S	S	.	*	H	α-helix	trans	-70	-34.5	-178.5	-166.1	71.3	0	0	0	112.4	Y3980 D3981 V3982 E3983 N3989 F3990 V4000 L4102	Y3980-W3985 HydrophobicContact CD1-CB 4.5Å; D3981-W3985 PolarHBondContact O-N 2.92Å; V3982-W3985 PolarHBondContact O-N 3.02Å; E3983-W3985 PolarHBondContact O-N 3.11Å; W3985-N3989 VanDerWaalsContact CD1-ND2 3.28Å; W3985-N3989 PolarHBondContact NE1-ND2 3.17Å; W3985-N3989 WeakPolarHBondContact O-CB 3.19Å; W3985-N3989 PolarHBondContact O-N 3.32Å; W3985-N3989 VanDerWaalsContact O-N 3.1Å; W3985-N3989 PolarHBondContact O-ND2 3.2Å; W3985-F3990 HydrophobicContact CE3-CE2 4.48Å; W3985-F3990 AromaticContact CH2-CE2 3.88Å; W3985-F3990 HydrophobicContact CH2-CE2 3.88Å; W3985-F3990 HydrophobicContact CH2-CZ 4.43Å; W3985-F3990 HydrophobicContact CZ3-CD2 4.5Å; W3985-F3990 AromaticContact CZ3-CE2 3.65Å; W3985-F3990 HydrophobicContact CZ3-CE2 3.65Å; W3985-V4000 HydrophobicContact CZ3-CG2 4.24Å; W3985-L4102 HydrophobicContact CD2-CD2 3.92Å; W3985-L4102 HydrophobicContact CE3-CD2 3.74Å; W3985-L4102 HydrophobicContact CH2-CD1 3.9Å; W3985-L4102 HydrophobicContact CH2-CD2 3.89Å; W3985-L4102 HydrophobicContact CH2-CG 3.89Å; W3985-L4102 HydrophobicContact CZ2-CD2 4.06Å; W3985-L4102 HydrophobicContact CZ2-CG 4.22Å; W3985-L4102 HydrophobicContact CZ3-CD1 3.88Å; W3985-L4102 HydrophobicContact CZ3-CD2 3.72Å; W3985-L4102 HydrophobicContact CZ3-CG 4.09Å
3986	T	44.7	Very low	39.4	Very low	41 Å²	41	114 Å²	114	25%	0.252	57%	0.574	S	S	.	*	H	α-helix	trans	-68.2	-44.7	173.3	49.2	0	0	0	0	112	V3982 E3983 K3984 Q3988 N3989 F3990	V3982-T3986 HydrophobicContact CG1-CG2 4.37Å; V3982-T3986 WeakPolarHBondContact O-CB 3.28Å; V3982-T3986 VanDerWaalsContact O-CG2 3.31Å; V3982-T3986 WeakPolarHBondContact O-CG2 3.14Å; V3982-T3986 PolarHBondContact O-N 3.24Å; V3982-T3986 PolarHBondContact O-OG1 3.13Å; E3983-T3986 WeakPolarHBondContact CA-OG1 3.5Å; E3983-T3986 PolarHBondContact O-N 3.03Å; E3983-T3986 PolarHBondContact O-OG1 3.15Å; E3983-T3986 VanDerWaalsContact O-OG1 3.04Å; K3984-T3986 PolarHBondContact O-N 3.26Å; T3986-Q3988 VanDerWaalsContact C-N 3.32Å; T3986-Q3988 PolarHBondContact O-N 2.97Å; T3986-N3989 PolarHBondContact O-N 3.26Å; T3986-F3990 WeakPolarHBondContact O-CB 3.33Å; T3986-F3990 PolarHBondContact O-N 2.93Å; T3986-F3990 VanDerWaalsContact O-N 3.17Å
3987	H	40.7	Very low	39.5	Very low	130 Å²	130	113.6 Å²	113.6	60%	0.602	57%	0.574	S	S	*	*	H	α-helix	trans	-66.1	-34.9	179.5	-108.9	27.8	0	0	0	113	E3983 K3984 G3991	E3983-H3987 VanDerWaalsContact O-CB 3.24Å; E3983-H3987 WeakPolarHBondContact O-CB 3.44Å; E3983-H3987 PolarHBondContact O-N 3.04Å; E3983-H3987 PolarHBondContact O-ND1 2.9Å; K3984-H3987 PolarHBondContact O-N 3.19Å; H3987-G3991 PolarHBondContact CE1-O 3.33Å; H3987-G3991 PolarHBondContact ND1-O 3.28Å; H3987-G3991 WeakPolarHBondContact O-CA 3.44Å; H3987-G3991 PolarHBondContact O-N 3.47Å
3988	Q	48.3	Very low	39.7	Very low	149.5 Å²	149.5	115.4 Å²	115.4	70%	0.699	58%	0.578	S	S	*	*	H	α-helix	trans	-77	-28.6	-179.1	-169.5	170.2	14.5	0	0	113.8	K3984 T3986	K3984-Q3988 WeakPolarHBondContact O-CB 3.27Å; K3984-Q3988 PolarHBondContact O-N 3.26Å; K3984-Q3988 VanDerWaalsContact O-N 3.1Å; T3986-Q3988 VanDerWaalsContact C-N 3.32Å; T3986-Q3988 PolarHBondContact O-N 2.97Å
3989	N	40.3	Very low	39.9	Very low	87 Å²	87	111.8 Å²	111.8	47%	0.465	57%	0.574	S	S	.	*	H	α-helix	trans	-100.6	-22	-177.9	-67.3	-79.3	0	0	0	114.2	W3985 T3986	W3985-N3989 VanDerWaalsContact CD1-ND2 3.28Å; W3985-N3989 PolarHBondContact NE1-ND2 3.17Å; W3985-N3989 WeakPolarHBondContact O-CB 3.19Å; W3985-N3989 PolarHBondContact O-N 3.32Å; W3985-N3989 VanDerWaalsContact O-N 3.1Å; W3985-N3989 PolarHBondContact O-ND2 3.2Å; T3986-N3989 PolarHBondContact O-N 3.26Å
3990	F	44.4	Very low	39.9	Very low	107.5 Å²	107.5	108.3 Å²	108.3	47%	0.471	56%	0.563	S	S	.	*	H	α-helix	trans	-125.6	36.4	-176.2	-58.2	-79.5	0	0	0	112.7	W3985 T3986 H3992 L3999	W3985-F3990 HydrophobicContact CE3-CE2 4.48Å; W3985-F3990 AromaticContact CH2-CE2 3.88Å; W3985-F3990 HydrophobicContact CH2-CE2 3.88Å; W3985-F3990 HydrophobicContact CH2-CZ 4.43Å; W3985-F3990 HydrophobicContact CZ3-CD2 4.5Å; W3985-F3990 AromaticContact CZ3-CE2 3.65Å; W3985-F3990 HydrophobicContact CZ3-CE2 3.65Å; T3986-F3990 WeakPolarHBondContact O-CB 3.33Å; T3986-F3990 PolarHBondContact O-N 2.93Å; T3986-F3990 VanDerWaalsContact O-N 3.17Å; F3990-H3992 PolarHBondContact O-N 3.25Å; F3990-L3999 HydrophobicContact CD1-CD1 3.63Å; F3990-L3999 HydrophobicContact CE1-CD1 3.75Å
3991	G	38.8	Very low	40	Very low	56.5 Å²	56.5	107.7 Å²	107.7	58%	0.582	56%	0.559	S	S	*	*	S	Bend	trans	3	-7.2	176.9	0	0	0	0	0	115.9	H3987	H3987-G3991 PolarHBondContact CE1-O 3.33Å; H3987-G3991 PolarHBondContact ND1-O 3.28Å; H3987-G3991 WeakPolarHBondContact O-CA 3.44Å; H3987-G3991 PolarHBondContact O-N 3.47Å
3992	H	38.3	Very low	39.5	Very low	125.5 Å²	125.5	108.1 Å²	108.1	58%	0.581	57%	0.566	S	S	*	*			trans	-131.2	119	175.6	-70	-74.7	0	0	0	110.3	F3990 Q3994 L3995 G3996	F3990-H3992 PolarHBondContact O-N 3.25Å; H3992-Q3994 PolarHBondContact O-N 3.11Å; H3992-L3995 HydrophobicContact CB-CB 4.06Å; H3992-L3995 HydrophobicContact CB-CD1 4.06Å; H3992-L3995 HydrophobicContact CB-CG 3.88Å; H3992-L3995 PolarHBondContact O-N 2.8Å; H3992-L3995 VanDerWaalsContact O-N 3.12Å; H3992-G3996 PolarHBondContact O-N 3.48Å; H3992-G3996 VanDerWaalsContact O-N 3.1Å
3993	S	38.3	Very low	39	Very low	85 Å²	85	111.8 Å²	111.8	59%	0.594	57%	0.568	S	S	*	*	H	α-helix	trans	-59	-23.8	174.2	51	0	0	0	0	113.5	L3995 G3996 C3997	S3993-L3995 PolarHBondContact O-N 3Å; S3993-G3996 PolarHBondContact O-N 2.99Å; S3993-C3997 PolarHBondContact O-N 3.43Å; S3993-C3997 PolarHBondContact O-SG 3.24Å
3994	Q	39.8	Very low	38.3	Very low	155 Å²	155	110.3 Å²	110.3	72%	0.724	57%	0.573	S	S	*	*	H	α-helix	trans	-74.1	-20.5	-179.5	-76.6	179.3	-24.7	0	0	114.8	H3992 G3996 C3997 L3998	H3992-Q3994 PolarHBondContact O-N 3.11Å; Q3994-G3996 VanDerWaalsContact C-N 3.29Å; Q3994-C3997 PolarHBondContact O-SG 3.44Å; Q3994-C3997 VanDerWaalsContact O-SG 3.38Å; Q3994-L3998 WeakPolarHBondContact O-CD1 3.14Å; Q3994-L3998 VanDerWaalsContact O-CG 3.3Å; Q3994-L3998 WeakPolarHBondContact O-CG 3.41Å; Q3994-L3998 PolarHBondContact O-N 3.1Å
3995	L	36	Very low	37.5	Very low	103 Å²	103	107.6 Å²	107.6	54%	0.539	56%	0.564	S	S	.	*	H	α-helix	trans	-78.9	-18.2	172.5	-67.3	179.7	0	0	0	112.3	H3992 S3993 C3997 L3998 L3999	H3992-L3995 HydrophobicContact CB-CB 4.06Å; H3992-L3995 HydrophobicContact CB-CD1 4.06Å; H3992-L3995 HydrophobicContact CB-CG 3.88Å; H3992-L3995 PolarHBondContact O-N 2.8Å; H3992-L3995 VanDerWaalsContact O-N 3.12Å; S3993-L3995 PolarHBondContact O-N 3Å; L3995-C3997 PolarHBondContact O-N 3.12Å; L3995-C3997 VanDerWaalsContact O-N 3.12Å; L3995-L3998 PolarHBondContact O-N 3.12Å; L3995-L3999 WeakPolarHBondContact O-CB 3.46Å; L3995-L3999 PolarHBondContact O-N 3.36Å
3996	G	34.2	Very low	36.9	Very low	30 Å²	30	104.9 Å²	104.9	31%	0.309	56%	0.564	S	S	.	*	H	α-helix	trans	-61.5	-28.3	176.4	0	0	0	0	0	114.5	H3992 S3993 Q3994 L3998 V4000	H3992-G3996 PolarHBondContact O-N 3.48Å; H3992-G3996 VanDerWaalsContact O-N 3.1Å; S3993-G3996 PolarHBondContact O-N 2.99Å; Q3994-G3996 VanDerWaalsContact C-N 3.29Å; G3996-L3998 VanDerWaalsContact C-N 3.3Å; G3996-L3998 PolarHBondContact O-N 2.82Å; G3996-V4000 WeakPolarHBondContact O-CB 3.42Å; G3996-V4000 VanDerWaalsContact O-CG2 3.28Å; G3996-V4000 WeakPolarHBondContact O-CG2 3.43Å; G3996-V4000 PolarHBondContact O-N 3.22Å
3997	C	33.6	Very low	36.1	Very low	89.5 Å²	89.5	106.6 Å²	106.6	61%	0.605	58%	0.583	S	S	*	*	H	α-helix	trans	-86.1	-6	-177.3	60	0	0	0	0	115.3	S3993 Q3994 L3995	S3993-C3997 PolarHBondContact O-N 3.43Å; S3993-C3997 PolarHBondContact O-SG 3.24Å; Q3994-C3997 PolarHBondContact O-SG 3.44Å; Q3994-C3997 VanDerWaalsContact O-SG 3.38Å; L3995-C3997 PolarHBondContact O-N 3.12Å; L3995-C3997 VanDerWaalsContact O-N 3.12Å
3998	L	34.2	Very low	35.8	Very low	134 Å²	134	105.1 Å²	105.1	70%	0.702	58%	0.583	S	S	*	*	H	α-helix	trans	-88.1	-22.5	170.1	-73.9	174.4	0	0	0	113.4	Q3994 L3995 G3996 V4000	Q3994-L3998 WeakPolarHBondContact O-CD1 3.14Å; Q3994-L3998 VanDerWaalsContact O-CG 3.3Å; Q3994-L3998 WeakPolarHBondContact O-CG 3.41Å; Q3994-L3998 PolarHBondContact O-N 3.1Å; L3995-L3998 PolarHBondContact O-N 3.12Å; G3996-L3998 VanDerWaalsContact C-N 3.3Å; G3996-L3998 PolarHBondContact O-N 2.82Å; L3998-V4000 VanDerWaalsContact C-N 3.33Å; L3998-V4000 PolarHBondContact O-N 3.3Å
3999	L	38	Very low	34.9	Very low	140 Å²	140	99.8 Å²	99.8	73%	0.733	56%	0.562	S	S	*	*	H	α-helix	trans	-73.6	15.4	167.1	-78.2	162.4	0	0	0	111.3	F3990 L3995	F3990-L3999 HydrophobicContact CD1-CD1 3.63Å; F3990-L3999 HydrophobicContact CE1-CD1 3.75Å; L3995-L3999 WeakPolarHBondContact O-CB 3.46Å; L3995-L3999 PolarHBondContact O-N 3.36Å
4000	V	35.7	Very low	34.6	Very low	80.5 Å²	80.5	99.9 Å²	99.9	49%	0.488	56%	0.562	S	S	.	*			trans	-83.9	81.3	172.8	-176.8	0	0	0	0	108.6	W3985 G3996 L3998 P4002 L4102	W3985-V4000 HydrophobicContact CZ3-CG2 4.24Å; G3996-V4000 WeakPolarHBondContact O-CB 3.42Å; G3996-V4000 VanDerWaalsContact O-CG2 3.28Å; G3996-V4000 WeakPolarHBondContact O-CG2 3.43Å; G3996-V4000 PolarHBondContact O-N 3.22Å; L3998-V4000 VanDerWaalsContact C-N 3.33Å; L3998-V4000 PolarHBondContact O-N 3.3Å; V4000-P4002 WeakPolarHBondContact O-CD 3.31Å; V4000-L4102 HydrophobicContact CB-CD1 4.34Å; V4000-L4102 HydrophobicContact CG1-CD1 3.3Å; V4000-L4102 HydrophobicContact CG2-CD1 3.99Å
4001	R	37.1	Very low	33.9	Very low	161 Å²	161	100 Å²	100	61%	0.608	57%	0.568	S	S	*	*			trans	-100.6	110	171.2	-151.8	172.1	-162.4	159.2	6.4	110.5	R4003	R4001-R4003 PolarHBondContact O-N 3.41Å
4002	P	32.1	Very low	33.7	Very low	82 Å²	82	102.8 Å²	102.8	53%	0.532	57%	0.568	S	S	.	*			trans	-61.5	112.5	-176.6	-25.2	35.2	0	0	0	112.1	V4000 S4004 L4005	V4000-P4002 WeakPolarHBondContact O-CD 3.31Å; P4002-S4004 PolarHBondContact O-N 3.04Å; P4002-L4005 HydrophobicContact CB-CD1 4.02Å; P4002-L4005 HydrophobicContact CB-CG 4.09Å; P4002-L4005 HydrophobicContact CG-CD1 4.25Å
4003	R	32.9	Very low	33.4	Very low	192 Å²	192	101.8 Å²	101.8	73%	0.725	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	126.5	171.9	-69.1	-175.5	177	177.9	-0.2	108.8	R4001	R4001-R4003 PolarHBondContact O-N 3.41Å
4004	S	29.9	Very low	33	Very low	110 Å²	110	100.6 Å²	100.6	77%	0.769	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.1	45.1	177.6	65.7	0	0	0	0	118.1	P4002	P4002-S4004 PolarHBondContact O-N 3.04Å
4005	L	28.4	Very low	32.6	Very low	76 Å²	76	95.5 Å²	95.5	40%	0.398	54%	0.539	S	S	.	.			trans	-82.6	123.7	145.6	-70.5	179.3	0	0	0	109.3	P4002 C4009 L4010	P4002-L4005 HydrophobicContact CB-CD1 4.02Å; P4002-L4005 HydrophobicContact CB-CG 4.09Å; P4002-L4005 HydrophobicContact CG-CD1 4.25Å; L4005-C4009 HydrophobicContact CB-CB 4.44Å; L4005-C4009 HydrophobicContact CD2-CB 4.06Å; L4005-L4010 HydrophobicContact CB-CG 4.43Å; L4005-L4010 HydrophobicContact CD1-CD2 4.06Å; L4005-L4010 HydrophobicContact CD1-CG 4.31Å
4006	S	30	Very low	32.4	Very low	68 Å²	68	94.5 Å²	94.5	48%	0.476	55%	0.545	S	S	.	.			trans	-68.4	152.2	167.3	55.2	0	0	0	0	110.1	T4008 C4009	S4006-T4008 PolarHBondContact O-N 2.98Å; S4006-T4008 PolarHBondContact OG-OG1 3.15Å; S4006-C4009 WeakPolarHBondContact O-CB 3.34Å; S4006-C4009 PolarHBondContact O-N 2.62Å
4007	A	28.2	Very low	32.3	Very low	77 Å²	77	98.8 Å²	98.8	64%	0.636	56%	0.56	S	S	*	*	H	α-helix	trans	-54.6	-30.2	-177	0	0	0	0	0	113.4	C4009 L4010 N4011	A4007-C4009 PolarHBondContact O-N 3.39Å; A4007-L4010 PolarHBondContact O-N 3.44Å; A4007-N4011 PolarHBondContact O-N 3.09Å
4008	T	32.5	Very low	32.1	Very low	99 Å²	99	99.9 Å²	99.9	61%	0.607	56%	0.56	S	S	*	*	H	α-helix	trans	-58.4	-22.2	172.6	52.9	0	0	0	0	114.9	S4006 I4012	S4006-T4008 PolarHBondContact O-N 2.98Å; S4006-T4008 PolarHBondContact OG-OG1 3.15Å; T4008-I4012 WeakPolarHBondContact O-CG1 3.22Å
4009	C	30.9	Very low	31.9	Very low	38 Å²	38	99 Å²	99	26%	0.257	56%	0.556	S	S	.	*	H	α-helix	trans	-91.8	-37.2	-179.7	-64.8	0	0	0	0	112.3	L4005 S4006 A4007 I4012	L4005-C4009 HydrophobicContact CB-CB 4.44Å; L4005-C4009 HydrophobicContact CD2-CB 4.06Å; S4006-C4009 WeakPolarHBondContact O-CB 3.34Å; S4006-C4009 PolarHBondContact O-N 2.62Å; A4007-C4009 PolarHBondContact O-N 3.39Å; C4009-I4012 PolarHBondContact O-N 3.31Å
4010	L	32.6	Very low	31.6	Very low	89 Å²	89	96.9 Å²	96.9	47%	0.466	56%	0.558	S	S	.	*	H	α-helix	trans	-67	-38.6	175.8	-74.6	166.2	0	0	0	111.3	L4005 A4007 I4012 I4013 S4014	L4005-L4010 HydrophobicContact CB-CG 4.43Å; L4005-L4010 HydrophobicContact CD1-CD2 4.06Å; L4005-L4010 HydrophobicContact CD1-CG 4.31Å; A4007-L4010 PolarHBondContact O-N 3.44Å; L4010-I4012 PolarHBondContact O-N 2.87Å; L4010-I4012 VanDerWaalsContact O-N 3.13Å; L4010-I4013 PolarHBondContact O-N 2.95Å; L4010-I4013 VanDerWaalsContact O-N 3.17Å; L4010-S4014 PolarHBondContact O-N 3.47Å; L4010-S4014 PolarHBondContact O-OG 3.14Å
4011	N	30.6	Very low	31.2	Very low	110 Å²	110	95.9 Å²	95.9	59%	0.588	56%	0.564	S	S	*	*	H	α-helix	trans	-57.9	-26.2	174	-87.1	23.5	0	0	0	113.8	A4007 S4015	A4007-N4011 PolarHBondContact O-N 3.09Å; N4011-S4015 WeakPolarHBondContact O-CB 3.42Å; N4011-S4015 PolarHBondContact O-N 2.8Å; N4011-S4015 PolarHBondContact O-OG 2.89Å
4012	I	35.2	Very low	30.9	Very low	115 Å²	115	97.1 Å²	97.1	59%	0.59	57%	0.574	S	S	*	*	H	α-helix	trans	-74.2	-40.3	179.4	-62.1	170.9	0	0	0	110.7	T4008 C4009 L4010 A4016	T4008-I4012 WeakPolarHBondContact O-CG1 3.22Å; C4009-I4012 PolarHBondContact O-N 3.31Å; L4010-I4012 PolarHBondContact O-N 2.87Å; L4010-I4012 VanDerWaalsContact O-N 3.13Å; I4012-A4016 WeakPolarHBondContact O-CB 3.43Å; I4012-A4016 PolarHBondContact O-N 2.87Å
4013	I	32.2	Very low	30.8	Very low	103 Å²	103	100.9 Å²	100.9	53%	0.528	59%	0.59	S	S	.	*	H	α-helix	trans	-75.8	-44.7	179	-59.5	176.5	0	0	0	110.2	L4010 S4015 A4016 I4017	L4010-I4013 PolarHBondContact O-N 2.95Å; L4010-I4013 VanDerWaalsContact O-N 3.17Å; I4013-S4015 PolarHBondContact O-N 2.99Å; I4013-A4016 PolarHBondContact O-N 3.27Å; I4013-I4017 HydrophobicContact CG2-CD1 3.91Å; I4013-I4017 WeakPolarHBondContact O-CG1 3.45Å; I4013-I4017 PolarHBondContact O-N 3.1Å; I4013-I4017 VanDerWaalsContact O-N 3.14Å
4014	S	29	Very low	30.7	Very low	61 Å²	61	95 Å²	95	43%	0.427	58%	0.582	S	S	.	*	H	α-helix	trans	-65.9	-35.2	176.9	-62.1	0	0	0	0	112.9	L4010 N4018	L4010-S4014 PolarHBondContact O-N 3.47Å; L4010-S4014 PolarHBondContact O-OG 3.14Å; S4014-N4018 WeakPolarHBondContact O-CB 3.48Å; S4014-N4018 PolarHBondContact O-N 3.45Å; S4014-N4018 PolarHBondContact O-ND2 3.39Å; S4014-N4018 PolarHBondContact O-OD1 2.85Å
4015	S	30.8	Very low	31	Very low	48 Å²	48	95.7 Å²	95.7	34%	0.336	58%	0.584	S	S	.	*	H	α-helix	trans	-73	-38	173.3	-50.9	0	0	0	0	111.8	N4011 I4013 I4017 N4018 N4019	N4011-S4015 WeakPolarHBondContact O-CB 3.42Å; N4011-S4015 PolarHBondContact O-N 2.8Å; N4011-S4015 PolarHBondContact O-OG 2.89Å; I4013-S4015 PolarHBondContact O-N 2.99Å; S4015-I4017 PolarHBondContact O-N 3.16Å; S4015-N4018 PolarHBondContact O-N 3.03Å; S4015-N4019 WeakPolarHBondContact O-CB 3.39Å; S4015-N4019 PolarHBondContact O-N 2.88Å; S4015-N4019 PolarHBondContact O-OD1 3.33Å; S4015-N4019 VanDerWaalsContact O-OD1 3.07Å
4016	A	31.9	Very low	31.2	Very low	81 Å²	81	100.5 Å²	100.5	67%	0.669	60%	0.604	S	S	*	*	H	α-helix	trans	-63.5	-26.3	177.6	0	0	0	0	0	113.5	I4012 I4013	I4012-A4016 WeakPolarHBondContact O-CB 3.43Å; I4012-A4016 PolarHBondContact O-N 2.87Å; I4013-A4016 PolarHBondContact O-N 3.27Å
4017	I	32	Very low	31.4	Very low	120 Å²	120	103.8 Å²	103.8	62%	0.615	62%	0.617	S	S	*	*	H	α-helix	trans	-94.5	-34	178.7	-62.7	171	0	0	0	111.6	I4013 S4015	I4013-I4017 HydrophobicContact CG2-CD1 3.91Å; I4013-I4017 WeakPolarHBondContact O-CG1 3.45Å; I4013-I4017 PolarHBondContact O-N 3.1Å; I4013-I4017 VanDerWaalsContact O-N 3.14Å; S4015-I4017 PolarHBondContact O-N 3.16Å
4018	N	30.6	Very low	31.7	Very low	114 Å²	114	106.9 Å²	106.9	61%	0.61	62%	0.622	S	S	*	*	H	α-helix	trans	-89.2	-22.7	-177.7	-61.5	-5.2	0	0	0	113.8	S4014 S4015 A4020 G4021	S4014-N4018 WeakPolarHBondContact O-CB 3.48Å; S4014-N4018 PolarHBondContact O-N 3.45Å; S4014-N4018 PolarHBondContact O-ND2 3.39Å; S4014-N4018 PolarHBondContact O-OD1 2.85Å; S4015-N4018 PolarHBondContact O-N 3.03Å; N4018-A4020 PolarHBondContact O-N 3.14Å; N4018-G4021 PolarHBondContact O-N 2.98Å
4019	N	30.4	Very low	32	Very low	115 Å²	115	108.8 Å²	108.8	62%	0.615	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	10.8	-178.3	-64.1	22.7	0	0	0	113.8	S4015 G4021	S4015-N4019 WeakPolarHBondContact O-CB 3.39Å; S4015-N4019 PolarHBondContact O-N 2.88Å; S4015-N4019 PolarHBondContact O-OD1 3.33Å; S4015-N4019 VanDerWaalsContact O-OD1 3.07Å; N4019-G4021 PolarHBondContact O-N 3.47Å
4020	A	29.7	Very low	32.1	Very low	95 Å²	95	110 Å²	110	79%	0.785	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-10.6	159.9	0	0	0	0	0	112.1	N4018 F4022	N4018-A4020 PolarHBondContact O-N 3.14Å; A4020-F4022 PolarHBondContact O-N 2.94Å
4021	G	29.3	Very low	32.4	Very low	59 Å²	59	113.1 Å²	113.1	61%	0.608	67%	0.665	S	S	*	*	S	Bend	trans	-83.5	75.7	179.3	0	0	0	0	0	115.2	N4018 N4019	N4018-G4021 PolarHBondContact O-N 2.98Å; N4019-G4021 PolarHBondContact O-N 3.47Å
4022	F	29.8	Very low	32.6	Very low	188 Å²	188	115.1 Å²	115.1	83%	0.825	68%	0.676	S	S	*	*			trans	50.8	74.9	145.9	-144.1	-86.4	0	0	0	117.2	A4020 A4024	A4020-F4022 PolarHBondContact O-N 2.94Å; F4022-A4024 VanDerWaalsContact C-N 3.31Å; F4022-A4024 HydrophobicContact CD1-CB 4.29Å; F4022-A4024 PolarHBondContact O-N 2.79Å
4023	D	29.7	Very low	32.8	Very low	161 Å²	161	118.4 Å²	118.4	86%	0.861	69%	0.689	S	S	*	*			trans	-65.3	83.3	168.8	-90	-39.6	0	0	0	111.8
4024	A	30.3	Very low	32.7	Very low	67 Å²	67	120.3 Å²	120.3	55%	0.554	70%	0.695	S	S	*	*			trans	-76	122.7	167.4	0	0	0	0	0	109.6	F4022 H4026	F4022-A4024 VanDerWaalsContact C-N 3.31Å; F4022-A4024 HydrophobicContact CD1-CB 4.29Å; F4022-A4024 PolarHBondContact O-N 2.79Å; A4024-H4026 PolarHBondContact O-N 3.18Å
4025	P	36.9	Very low	32.9	Very low	126 Å²	126	124.8 Å²	124.8	82%	0.818	71%	0.713	S	S	*	*			trans	-72.6	100	-170.9	27.7	-34.9	0	0	0	112.1	N4027	P4025-N4027 VanDerWaalsContact C-N 3.35Å; P4025-N4027 PolarHBondContact O-N 2.96Å
4026	H	33.1	Very low	33	Very low	177 Å²	177	130 Å²	130	82%	0.819	73%	0.73	S	S	*	*			trans	-75.2	84.4	175.8	-155.4	-19.9	0	0	0	110.3	A4024 D4028	A4024-H4026 PolarHBondContact O-N 3.18Å; H4026-D4028 PolarHBondContact O-N 3.01Å
4027	N	34.3	Very low	33.1	Very low	137 Å²	137	132.9 Å²	132.9	73%	0.733	73%	0.733	S	S	*	*			trans	-86.1	101	-179.7	-163.1	12.7	0	0	0	110.4	P4025 N4029	P4025-N4027 VanDerWaalsContact C-N 3.35Å; P4025-N4027 PolarHBondContact O-N 2.96Å; N4027-N4029 PolarHBondContact O-N 2.81Å
4028	D	33.8	Very low	33	Very low	142 Å²	142	135.8 Å²	135.8	76%	0.759	74%	0.744	S	S	*	*			trans	-88.2	81	-169.1	-167.1	23	0	0	0	112.6	H4026	H4026-D4028 PolarHBondContact O-N 3.01Å
4029	N	38.8	Very low	32.9	Very low	139 Å²	139	138.5 Å²	138.5	74%	0.743	76%	0.758	S	S	*	*			trans	-144.7	141.3	159.4	-63.3	-96.1	0	0	0	105.6	N4027	N4027-N4029 PolarHBondContact O-N 2.81Å
4030	G	34	Very low	32.9	Very low	64 Å²	64	136.4 Å²	136.4	66%	0.66	76%	0.764	S	S	*	*			cis	121.9	110.2	22.5	0	0	0	0	0	107.2
4031	D	37.8	Very low	32.7	Very low	153 Å²	153	136.5 Å²	136.5	82%	0.818	76%	0.758	S	S	*	*			trans	69.6	104.4	176.6	-48.4	-19.5	0	0	0	117.4
4032	D	34.9	Very low	32.7	Very low	153 Å²	153	145.3 Å²	145.3	82%	0.818	77%	0.773	S	S	*	*			trans	68.9	157.6	136	-53.5	-22.9	0	0	0	123.8
4033	E	38.9	Very low	32.6	Very low	184 Å²	184	142.4 Å²	142.4	86%	0.86	76%	0.76	S	S	*	*			trans	75.5	141.3	168.9	-68.7	-62.4	163	0	0	121.6	L4035	E4033-L4035 PolarHBondContact O-N 3.06Å
4034	E	30.1	Very low	32.6	Very low	143 Å²	143	144.5 Å²	144.5	67%	0.668	76%	0.762	S	S	*	*			trans	-87.9	97.7	-165.3	-171.6	-164	-171.2	0	0	113.6	K4036	E4034-K4036 PolarHBondContact O-N 3.21Å; E4034-K4036 WeakPolarHBondContact OE1-CE 3.4Å; E4034-K4036 IonicContact OE1-NZ 3.23Å; E4034-K4036 PolarHBondContact OE1-NZ 3.33Å; E4034-K4036 IonicContact OE2-NZ 3.79Å; E4034-K4036 PolarHBondContact OE2-NZ 3.22Å
4035	L	35	Very low	32.6	Very low	154 Å²	154	146.6 Å²	146.6	81%	0.806	76%	0.764	S	S	*	*			trans	-101.3	82.1	179.7	-116.8	169	0	0	0	114.5	E4033 I4037	E4033-L4035 PolarHBondContact O-N 3.06Å; L4035-I4037 HydrophobicContact CD2-CD1 3.84Å; L4035-I4037 HydrophobicContact CD2-CG1 3.87Å; L4035-I4037 PolarHBondContact O-N 2.99Å; L4035-I4037 VanDerWaalsContact O-N 3.14Å
4036	K	31.1	Very low	32.5	Very low	158 Å²	158	148.8 Å²	148.8	69%	0.687	77%	0.768	S	S	*	*			trans	-66.5	101.3	169.6	-64.7	-175.5	-176.8	71.3	0	111.9	E4034	E4034-K4036 PolarHBondContact O-N 3.21Å; E4034-K4036 WeakPolarHBondContact OE1-CE 3.4Å; E4034-K4036 IonicContact OE1-NZ 3.23Å; E4034-K4036 PolarHBondContact OE1-NZ 3.33Å; E4034-K4036 IonicContact OE2-NZ 3.79Å; E4034-K4036 PolarHBondContact OE2-NZ 3.22Å
4037	I	34.4	Very low	32.5	Very low	141 Å²	141	143.8 Å²	143.8	72%	0.723	76%	0.758	S	S	*	*			trans	-125.9	87.6	163.3	-55.8	-175.4	0	0	0	111.5	L4035	L4035-I4037 HydrophobicContact CD2-CD1 3.84Å; L4035-I4037 HydrophobicContact CD2-CG1 3.87Å; L4035-I4037 PolarHBondContact O-N 2.99Å; L4035-I4037 VanDerWaalsContact O-N 3.14Å
4038	Q	30.2	Very low	32.5	Very low	181 Å²	181	144 Å²	144	85%	0.846	76%	0.759	S	S	*	*			trans	28.8	115.4	149	-65.3	-179.6	-19.6	0	0	120.4	G4040	Q4038-G4040 PolarHBondContact O-N 2.97Å
4039	N	28.5	Very low	32.5	Very low	171 Å²	171	143.7 Å²	143.7	91%	0.914	76%	0.757	S	S	*	*			trans	-57.5	122.4	154.3	-68.2	-35.8	0	0	0	111.2
4040	G	30.5	Very low	32.2	Very low	71 Å²	71	144.1 Å²	144.1	73%	0.732	76%	0.76	S	S	*	*			trans	-90.1	105.4	167.6	0	0	0	0	0	111.2	Q4038	Q4038-G4040 PolarHBondContact O-N 2.97Å
4041	C	25.6	Very low	32.1	Very low	98 Å²	98	149.9 Å²	149.9	66%	0.662	77%	0.77	S	S	*	*			trans	-77.1	130.9	-177.4	-178.4	0	0	0	0	112.5
4042	W	28.4	Very low	31.6	Very low	244 Å²	244	152.3 Å²	152.3	92%	0.924	78%	0.775	S	S	*	*			trans	-123.2	85.1	158.8	-72.3	111.5	0	0	0	110.3
4043	K	28.5	Very low	31.2	Very low	127 Å²	127	148.8 Å²	148.8	55%	0.552	78%	0.775	S	S	*	*			trans	-76.2	136.9	159.8	-99.7	172.4	158.7	-78.9	0	109	D4045	K4043-D4045 IonicContact NZ-OD1 3.05Å; K4043-D4045 PolarHBondContact NZ-OD1 2.96Å; K4043-D4045 IonicContact NZ-OD2 2.76Å; K4043-D4045 PolarHBondContact NZ-OD2 3.02Å
4044	F	30.4	Very low	30.6	Very low	204 Å²	204	149.1 Å²	149.1	90%	0.895	78%	0.782	S	S	*	*			trans	-133.2	116	136.2	-102.3	-78.1	0	0	0	108.3
4045	D	30.4	Very low	30.4	Very low	112 Å²	112	145.5 Å²	145.5	60%	0.599	78%	0.783	S	S	*	*			trans	-84.5	138.1	178.8	-58.4	-60.2	0	0	0	109.5	K4043	K4043-D4045 IonicContact NZ-OD1 3.05Å; K4043-D4045 PolarHBondContact NZ-OD1 2.96Å; K4043-D4045 IonicContact NZ-OD2 2.76Å; K4043-D4045 PolarHBondContact NZ-OD2 3.02Å
4046	N	33.6	Very low	30	Very low	171 Å²	171	144.6 Å²	144.6	91%	0.914	79%	0.788	S	S	*	*			trans	-148.6	133.1	148.3	-141.9	4.2	0	0	0	108.8
4047	A	34	Very low	29.7	Very low	73 Å²	73	144.2 Å²	144.2	60%	0.603	79%	0.793	S	S	*	*			trans	-113.8	167.4	-164	0	0	0	0	0	112.9
4048	N	33.5	Very low	29.3	Very low	142 Å²	142	142.7 Å²	142.7	76%	0.759	80%	0.796	S	S	*	*			trans	147	104.2	155	-73.4	-4.2	0	0	0	105.3
4049	D	34.2	Very low	29	Very low	134 Å²	134	142.7 Å²	142.7	72%	0.717	80%	0.798	S	S	*	*				67.7	118.3	74.3	-55.8	-1.2	0	0	0	108.9
4050	D	31.9	Very low	29	Very low	149 Å²	149	142.7 Å²	142.7	80%	0.797	79%	0.792	S	S	*	*			cis	-160.6	-176.4	13.6	-131.6	-32.8	0	0	0	113.1
4051	E	32.7	Very low	28.9	Very low	185 Å²	185	145.9 Å²	145.9	86%	0.864	79%	0.791	S	S	*	*			trans	79	142.3	169	-56.2	-151.7	131.3	0	0	120.5
4052	H	26.8	Very low	29	Very low	203 Å²	203	148.5 Å²	148.5	94%	0.94	80%	0.798	S	S	*	*			trans	-102.4	133.9	-172	-69.9	-92.4	0	0	0	113.5
4053	G	27.3	Very low	28.9	Very low	79 Å²	79	144.5 Å²	144.5	81%	0.814	79%	0.787	S	S	*	*			trans	-137.2	132.3	167.1	0	0	0	0	0	112.1
4054	L	26.1	Very low	28.9	Very low	191 Å²	191	142.6 Å²	142.6	100%	1	80%	0.795	S	S	*	*			trans	-84.2	126.1	178.6	-70.9	167.8	0	0	0	111.4
4055	G	25	Very low	28.8	Very low	67 Å²	67	139.1 Å²	139.1	69%	0.691	78%	0.781	S	S	*	*			trans	134	87.1	156.8	0	0	0	0	0	116.4	N4057	G4055-N4057 PolarHBondContact O-N 3.39Å
4056	C	27	Very low	28.6	Very low	136 Å²	136	140.5 Å²	140.5	92%	0.919	79%	0.788	S	S	*	*			trans	-87.7	74.2	169.8	-60.8	0	0	0	0	111.6
4057	N	24.8	Very low	28.5	Very low	149 Å²	149	136.9 Å²	136.9	80%	0.797	78%	0.777	S	S	*	*			trans	-66.9	168	141.5	-72.7	-51.3	0	0	0	108.4	G4055	G4055-N4057 PolarHBondContact O-N 3.39Å
4058	S	25.9	Very low	28.5	Very low	110 Å²	110	136.8 Å²	136.8	77%	0.769	77%	0.768	S	S	*	*			trans	70.6	81.7	-173	-51.5	0	0	0	0	113.9	E4060	S4058-E4060 VanDerWaalsContact C-N 3.28Å; S4058-E4060 PolarHBondContact O-N 3.03Å; S4058-E4060 VanDerWaalsContact O-N 3.13Å
4059	M	24.5	Very low	28.4	Very low	181 Å²	181	138.5 Å²	138.5	89%	0.892	77%	0.772	S	S	*	*			trans	-72.8	91.9	149.1	-178.6	169.7	-73.4	0	0	107.1	I4061	M4059-I4061 PolarHBondContact O-N 3.06Å; M4059-I4061 VanDerWaalsContact O-N 3.11Å
4060	E	27.3	Very low	28.4	Very low	170 Å²	170	139.5 Å²	139.5	79%	0.794	77%	0.772	S	S	*	*			trans	-61	114.2	165.6	-72.6	-166.1	126.8	0	0	108	S4058 L4062	S4058-E4060 VanDerWaalsContact C-N 3.28Å; S4058-E4060 PolarHBondContact O-N 3.03Å; S4058-E4060 VanDerWaalsContact O-N 3.13Å; E4060-L4062 VanDerWaalsContact C-N 3.31Å; E4060-L4062 PolarHBondContact O-N 3.26Å
4061	I	27.8	Very low	28.6	Very low	138 Å²	138	138.7 Å²	138.7	71%	0.708	77%	0.767	S	S	*	*			trans	-67.1	98.8	169.4	-60.8	175.5	0	0	0	105.9	M4059 K4063	M4059-I4061 PolarHBondContact O-N 3.06Å; M4059-I4061 VanDerWaalsContact O-N 3.11Å; I4061-K4063 PolarHBondContact O-N 2.97Å; I4061-K4063 VanDerWaalsContact O-N 3.1Å
4062	L	28.6	Very low	28.9	Very low	154 Å²	154	135.5 Å²	135.5	81%	0.806	76%	0.756	S	S	*	*			trans	-50.4	120.6	174	-78.1	171.3	0	0	0	108.4	E4060 A4064	E4060-L4062 VanDerWaalsContact C-N 3.31Å; E4060-L4062 PolarHBondContact O-N 3.26Å; L4062-A4064 PolarHBondContact O-N 3.2Å
4063	K	26.3	Very low	29.6	Very low	160 Å²	160	133.1 Å²	133.1	70%	0.696	75%	0.745	S	S	*	*			trans	-59.9	96.1	177.9	-81.3	175.7	149.3	-140.1	0	109.9	I4061 E4065	I4061-K4063 PolarHBondContact O-N 2.97Å; I4061-K4063 VanDerWaalsContact O-N 3.1Å; K4063-E4065 HydrophobicContact CB-CG 4.08Å; K4063-E4065 WeakPolarHBondContact CE-OE1 3.48Å; K4063-E4065 IonicContact NZ-OE1 3.99Å; K4063-E4065 PolarHBondContact NZ-OE1 3.18Å; K4063-E4065 IonicContact NZ-OE2 2.78Å; K4063-E4065 PolarHBondContact NZ-OE2 3.03Å; K4063-E4065 PolarHBondContact O-N 2.86Å
4064	A	28.1	Very low	30.2	Very low	86 Å²	86	137.8 Å²	137.8	71%	0.711	75%	0.745	S	S	*	*			trans	-72.4	58.5	164.4	0	0	0	0	0	110.1	L4062 N4066	L4062-A4064 PolarHBondContact O-N 3.2Å; A4064-N4066 PolarHBondContact O-N 3.46Å
4065	E	29	Very low	31.3	Very low	132 Å²	132	130.1 Å²	130.1	62%	0.617	71%	0.707	S	S	*	*			trans	-76.4	62.2	172.7	-76.7	175.2	171.6	0	0	109.6	K4063	K4063-E4065 HydrophobicContact CB-CG 4.08Å; K4063-E4065 WeakPolarHBondContact CE-OE1 3.48Å; K4063-E4065 IonicContact NZ-OE1 3.99Å; K4063-E4065 PolarHBondContact NZ-OE1 3.18Å; K4063-E4065 IonicContact NZ-OE2 2.78Å; K4063-E4065 PolarHBondContact NZ-OE2 3.03Å; K4063-E4065 PolarHBondContact O-N 2.86Å
4066	N	27.1	Very low	32.6	Very low	140 Å²	140	129.7 Å²	129.7	75%	0.749	69%	0.694	S	S	*	*	S	Bend	trans	-160.3	154.6	168.3	-91.8	-49	0	0	0	110.7	A4064 V4068	A4064-N4066 PolarHBondContact O-N 3.46Å; N4066-V4068 PolarHBondContact O-N 3.46Å
4067	S	29.7	Very low	33.9	Very low	96 Å²	96	128.5 Å²	128.5	67%	0.671	68%	0.684	S	S	*	*			trans	61	14.2	174	78.8	0	0	0	0	120.2	Q4069	S4067-Q4069 PolarHBondContact O-N 3.24Å
4068	V	34.1	Very low	35.2	Very low	70 Å²	70	130.8 Å²	130.8	42%	0.424	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.6	-13	178.2	176.2	0	0	0	0	114.1	N4066	N4066-V4068 PolarHBondContact O-N 3.46Å
4069	Q	32.8	Very low	36.9	Very low	179 Å²	179	129.9 Å²	129.9	84%	0.836	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-29.4	-166.1	-144	151.3	-8.8	0	0	114.7	S4067	S4067-Q4069 PolarHBondContact O-N 3.24Å
4070	E	32.7	Very low	38.8	Very low	154 Å²	154	126.4 Å²	126.4	72%	0.72	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-81.9	-21.5	-175.7	-65.6	-179.8	130.4	0	0	114.1	N4072	E4070-N4072 PolarHBondContact O-N 2.84Å; E4070-N4072 VanDerWaalsContact O-N 3.13Å
4071	I	36.5	Very low	40.6	Very low	133 Å²	133	126.6 Å²	126.6	68%	0.682	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-69	-17.5	-171	-54.2	178.3	0	0	0	112.5
4072	N	38.7	Very low	42.3	Very low	118 Å²	118	122.7 Å²	122.7	63%	0.631	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-72.9	-29.4	-177	-88.1	-60	0	0	0	114.6	E4070 S4075	E4070-N4072 PolarHBondContact O-N 2.84Å; E4070-N4072 VanDerWaalsContact O-N 3.13Å; N4072-S4075 WeakPolarHBondContact O-CB 3.31Å
4073	E	43.3	Very low	44.1	Very low	152 Å²	152	121.4 Å²	121.4	71%	0.71	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-41.6	-168.1	-56.4	-153.8	153.3	0	0	112.4	S4075 K4080	E4073-S4075 PolarHBondContact O-N 3.42Å; E4073-S4075 VanDerWaalsContact O-N 3.07Å; E4073-K4080 PolarHBondContact O-NZ 3.36Å
4074	H	39.4	Very low	46.2	Very low	178 Å²	178	121.3 Å²	121.3	82%	0.824	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	8.4	178.9	-60.6	-57.9	0	0	0	114.9	S4076	H4074-S4076 PolarHBondContact O-N 3.33Å; H4074-S4076 VanDerWaalsContact O-N 3.11Å
4075	S	49.7	Very low	48	Very low	30 Å²	30	122.8 Å²	122.8	21%	0.21	60%	0.596	C	S	.	*			trans	-55.6	117.3	174.5	175.8	0	0	0	0	111.3	N4072 E4073 L4079 K4080	N4072-S4075 WeakPolarHBondContact O-CB 3.31Å; E4073-S4075 PolarHBondContact O-N 3.42Å; E4073-S4075 VanDerWaalsContact O-N 3.07Å; S4075-L4079 WeakPolarHBondContact OG-CD2 3.24Å; S4075-L4079 WeakPolarHBondContact OG-CG 3.15Å; S4075-K4080 VanDerWaalsContact O-CD 3.26Å; S4075-K4080 WeakPolarHBondContact O-CD 3.45Å; S4075-K4080 WeakPolarHBondContact O-CE 3.45Å; S4075-K4080 PolarHBondContact O-NZ 3.26Å
4076	S	51.9	Low	49.7	Very low	58 Å²	58	117.2 Å²	117.2	41%	0.406	57%	0.571	S	S	.	*			trans	-57.1	151.9	-171.9	72.3	0	0	0	0	112.7	H4074 R4078 L4079 K4080	H4074-S4076 PolarHBondContact O-N 3.33Å; H4074-S4076 VanDerWaalsContact O-N 3.11Å; S4076-R4078 PolarHBondContact O-N 2.81Å; S4076-L4079 WeakPolarHBondContact O-CA 3.25Å; S4076-L4079 PolarHBondContact O-N 2.86Å; S4076-L4079 PolarHBondContact OG-N 3.19Å; S4076-K4080 PolarHBondContact O-N 2.84Å
4077	P	53.8	Low	51.4	Low	111 Å²	111	115.2 Å²	115.2	72%	0.721	56%	0.557	S	S	*	*	H	α-helix	trans	-55	-30	178.3	-28.2	35.6	0	0	0	113.8	R4081	P4077-R4081 VanDerWaalsContact O-CB 3.31Å; P4077-R4081 WeakPolarHBondContact O-CB 3.41Å; P4077-R4081 PolarHBondContact O-N 2.96Å
4078	R	52.1	Low	53.4	Low	197 Å²	197	116.3 Å²	116.3	74%	0.743	55%	0.552	S	S	*	*	H	α-helix	trans	-69.9	-39.6	174.8	-62.5	-179.6	70.7	168.3	0.1	112.1	S4076 L4082	S4076-R4078 PolarHBondContact O-N 2.81Å; R4078-L4082 WeakPolarHBondContact O-CB 3.46Å; R4078-L4082 PolarHBondContact O-N 2.95Å
4079	L	61.3	Low	55.1	Low	91 Å²	91	115.5 Å²	115.5	48%	0.476	55%	0.546	S	S	.	.	H	α-helix	trans	-71.9	-43.1	175.9	-176.4	56.5	0	0	0	111.4	S4075 S4076 R4081 L4082 K4083	S4075-L4079 WeakPolarHBondContact OG-CD2 3.24Å; S4075-L4079 WeakPolarHBondContact OG-CG 3.15Å; S4076-L4079 WeakPolarHBondContact O-CA 3.25Å; S4076-L4079 PolarHBondContact O-N 2.86Å; S4076-L4079 PolarHBondContact OG-N 3.19Å; L4079-R4081 VanDerWaalsContact C-N 3.32Å; L4079-R4081 PolarHBondContact O-N 2.96Å; L4079-L4082 PolarHBondContact O-N 2.97Å; L4079-L4082 VanDerWaalsContact O-N 3.14Å; L4079-K4083 PolarHBondContact O-N 3.17Å
4080	K	65.7	Low	56.7	Low	108 Å²	108	109.6 Å²	109.6	47%	0.47	52%	0.517	S	S	.	.	H	α-helix	trans	-56.9	-42.5	171.7	-71	177.7	175.9	164.5	0	111.5	E4073 S4075 S4076 K4083 K4084	E4073-K4080 PolarHBondContact O-NZ 3.36Å; S4075-K4080 VanDerWaalsContact O-CD 3.26Å; S4075-K4080 WeakPolarHBondContact O-CD 3.45Å; S4075-K4080 WeakPolarHBondContact O-CE 3.45Å; S4075-K4080 PolarHBondContact O-NZ 3.26Å; S4076-K4080 PolarHBondContact O-N 2.84Å; K4080-K4083 PolarHBondContact O-N 3.21Å; K4080-K4084 PolarHBondContact O-N 2.94Å
4081	R	63.8	Low	58.6	Low	173 Å²	173	108.3 Å²	108.3	65%	0.653	52%	0.515	S	S	*	.	H	α-helix	trans	-70.8	-30.2	175.5	-160	170.6	-166.4	163.5	4.1	113.7	P4077 L4079 R4085	P4077-R4081 VanDerWaalsContact O-CB 3.31Å; P4077-R4081 WeakPolarHBondContact O-CB 3.41Å; P4077-R4081 PolarHBondContact O-N 2.96Å; L4079-R4081 VanDerWaalsContact C-N 3.32Å; L4079-R4081 PolarHBondContact O-N 2.96Å; R4081-R4085 WeakPolarHBondContact O-CG 3.2Å; R4081-R4085 PolarHBondContact O-N 3.43Å
4082	L	64.8	Low	60.3	Low	57 Å²	57	107.6 Å²	107.6	30%	0.298	51%	0.511	S	S	.	.	H	α-helix	trans	-72.7	-39.1	173.1	-177.5	61.5	0	0	0	112	R4078 L4079 R4085 T4086 I4106	R4078-L4082 WeakPolarHBondContact O-CB 3.46Å; R4078-L4082 PolarHBondContact O-N 2.95Å; L4079-L4082 PolarHBondContact O-N 2.97Å; L4079-L4082 VanDerWaalsContact O-N 3.14Å; L4082-R4085 PolarHBondContact O-N 3.41Å; L4082-T4086 PolarHBondContact O-N 3.07Å; L4082-T4086 PolarHBondContact O-OG1 2.87Å; L4082-I4106 HydrophobicContact CD1-CB 4.23Å
4083	K	65.7	Low	62	Low	127 Å²	127	103.8 Å²	103.8	55%	0.552	49%	0.491	S	S	*	.	H	α-helix	trans	-59.1	-55.7	175.5	-170.2	178	179.2	-177	0	110.6	L4079 K4080 R4085 T4086 E4087	L4079-K4083 PolarHBondContact O-N 3.17Å; K4080-K4083 PolarHBondContact O-N 3.21Å; K4083-R4085 VanDerWaalsContact C-N 3.27Å; K4083-R4085 PolarHBondContact O-N 3.18Å; K4083-T4086 WeakPolarHBondContact O-CB 3.45Å; K4083-T4086 PolarHBondContact O-N 3.2Å; K4083-E4087 WeakPolarHBondContact O-CB 3.08Å; K4083-E4087 PolarHBondContact O-N 3.5Å
4084	K	70.6	Confident	63.5	Low	158 Å²	158	99.5 Å²	99.5	69%	0.687	48%	0.476	S	S	*	.	H	α-helix	trans	-54.4	-38.3	176.3	-74.7	-165.8	172.2	-168.1	0	113.4	K4080 H4088	K4080-K4084 PolarHBondContact O-N 2.94Å; K4084-H4088 WeakPolarHBondContact O-CB 3.43Å; K4084-H4088 PolarHBondContact O-N 3.24Å
4085	R	64.6	Low	65	Low	117 Å²	117	96.4 Å²	96.4	44%	0.442	47%	0.47	S	S	.	.	H	α-helix	trans	-70.4	-34.6	175.7	-78.1	177.2	169.1	175.8	-4.2	113.3	R4081 L4082 K4083 V4089	R4081-R4085 WeakPolarHBondContact O-CG 3.2Å; R4081-R4085 PolarHBondContact O-N 3.43Å; L4082-R4085 PolarHBondContact O-N 3.41Å; K4083-R4085 VanDerWaalsContact C-N 3.27Å; K4083-R4085 PolarHBondContact O-N 3.18Å; R4085-V4089 WeakPolarHBondContact O-CB 3.43Å; R4085-V4089 WeakPolarHBondContact O-CG2 3.46Å; R4085-V4089 PolarHBondContact O-N 3.43Å
4086	T	64.8	Low	65.9	Low	14 Å²	14	100.4 Å²	100.4	9%	0.086	49%	0.489	C	S	.	.	H	α-helix	trans	-70.9	-40	178	-52.5	0	0	0	0	111.8	L4082 K4083 R4090 I4106	L4082-T4086 PolarHBondContact O-N 3.07Å; L4082-T4086 PolarHBondContact O-OG1 2.87Å; K4083-T4086 WeakPolarHBondContact O-CB 3.45Å; K4083-T4086 PolarHBondContact O-N 3.2Å; T4086-R4090 WeakPolarHBondContact O-CG 3.02Å; T4086-R4090 PolarHBondContact O-N 3.44Å; T4086-I4106 VanDerWaalsContact CA-CD1 3.48Å; T4086-I4106 HydrophobicContact CG2-CD1 4.3Å
4087	E	64	Low	66.8	Low	98 Å²	98	101 Å²	101	46%	0.458	49%	0.487	S	S	.	.	H	α-helix	trans	-60.7	-53	172.1	-172.5	166.9	-147.5	0	0	111.1	K4083 V4089 R4090 N4091	K4083-E4087 WeakPolarHBondContact O-CB 3.08Å; K4083-E4087 PolarHBondContact O-N 3.5Å; E4087-V4089 PolarHBondContact O-N 3.03Å; E4087-R4090 PolarHBondContact O-N 3.34Å; E4087-N4091 VanDerWaalsContact O-CG 3.24Å; E4087-N4091 PolarHBondContact O-N 3.03Å; E4087-N4091 PolarHBondContact O-OD1 3.04Å
4088	H	72.1	Confident	67.6	Low	120 Å²	120	98.5 Å²	98.5	56%	0.556	47%	0.466	S	S	*	.	H	α-helix	trans	-60.5	-42.3	177.5	-171.5	77.8	0	0	0	113.4	K4084 R4090 N4091 L4092	K4084-H4088 WeakPolarHBondContact O-CB 3.43Å; K4084-H4088 PolarHBondContact O-N 3.24Å; H4088-R4090 VanDerWaalsContact C-N 3.35Å; H4088-R4090 PolarHBondContact O-N 2.91Å; H4088-N4091 PolarHBondContact O-N 2.81Å; H4088-L4092 WeakPolarHBondContact O-CG 3.26Å; H4088-L4092 PolarHBondContact O-N 3.19Å
4089	V	68.3	Low	68	Low	52 Å²	52	96.8 Å²	96.8	32%	0.315	46%	0.459	S	S	.	.	H	α-helix	trans	-66.1	-34.6	176.9	167	0	0	0	0	112.4	R4085 E4087 L4092 L4093 I4106	R4085-V4089 WeakPolarHBondContact O-CB 3.43Å; R4085-V4089 WeakPolarHBondContact O-CG2 3.46Å; R4085-V4089 PolarHBondContact O-N 3.43Å; E4087-V4089 PolarHBondContact O-N 3.03Å; V4089-L4092 PolarHBondContact O-N 2.7Å; V4089-L4093 HydrophobicContact CG1-CD1 4.04Å; V4089-L4093 WeakPolarHBondContact O-CD1 3.46Å; V4089-I4106 HydrophobicContact CB-CD1 3.94Å; V4089-I4106 HydrophobicContact CG1-CD1 4.26Å; V4089-I4106 HydrophobicContact CG2-CD1 3.98Å
4090	R	66.3	Low	67.9	Low	56 Å²	56	99.3 Å²	99.3	21%	0.211	47%	0.466	C	S	.	.	H	α-helix	trans	-67.5	-41.2	172.5	-76.9	175	172.6	-178.6	-5.3	111.6	T4086 E4087 H4088 L4092 L4093 H4098 I4101	T4086-R4090 WeakPolarHBondContact O-CG 3.02Å; T4086-R4090 PolarHBondContact O-N 3.44Å; E4087-R4090 PolarHBondContact O-N 3.34Å; H4088-R4090 VanDerWaalsContact C-N 3.35Å; H4088-R4090 PolarHBondContact O-N 2.91Å; R4090-L4092 PolarHBondContact O-N 3.5Å; R4090-L4093 PolarHBondContact O-N 3.46Å; R4090-L4093 VanDerWaalsContact O-O 3.06Å; R4090-H4098 PolarHBondContact O-NE2 2.92Å; R4090-I4101 HydrophobicContact CG-CD1 4.17Å; R4090-I4101 HydrophobicContact CG-CG2 4.29Å; R4090-I4101 PolarHBondContact NH2-O 3.09Å
4091	N	72.6	Confident	67.2	Low	126 Å²	126	95.4 Å²	95.4	67%	0.674	45%	0.45	S	S	*	.	H	α-helix	trans	-65.6	-19.6	178.9	-64.3	-1.4	0	0	0	113.3	E4087 H4088	E4087-N4091 VanDerWaalsContact O-CG 3.24Å; E4087-N4091 PolarHBondContact O-N 3.03Å; E4087-N4091 PolarHBondContact O-OD1 3.04Å; H4088-N4091 PolarHBondContact O-N 2.81Å
4092	L	73.6	Confident	66.4	Low	118 Å²	118	88.7 Å²	88.7	62%	0.618	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-4.2	173.7	-69.1	173.1	0	0	0	114.4	H4088 V4089 R4090	H4088-L4092 WeakPolarHBondContact O-CG 3.26Å; H4088-L4092 PolarHBondContact O-N 3.19Å; V4089-L4092 PolarHBondContact O-N 2.7Å; R4090-L4092 PolarHBondContact O-N 3.5Å
4093	L	74.6	Confident	65.4	Low	38 Å²	38	90.3 Å²	90.3	20%	0.199	44%	0.442	C	S	.	.	S	Bend	trans	-119.8	139.3	-174.6	-75.4	164	0	0	0	111	V4089 R4090 L4097 H4098 I4101	V4089-L4093 HydrophobicContact CG1-CD1 4.04Å; V4089-L4093 WeakPolarHBondContact O-CD1 3.46Å; R4090-L4093 PolarHBondContact O-N 3.46Å; R4090-L4093 VanDerWaalsContact O-O 3.06Å; L4093-L4097 HydrophobicContact CD2-CD1 4.16Å; L4093-H4098 PolarHBondContact O-CD2 3.39Å; L4093-H4098 PolarHBondContact O-NE2 3.44Å; L4093-I4101 HydrophobicContact CB-CD1 3.98Å; L4093-I4101 HydrophobicContact CD1-CD1 3.4Å; L4093-I4101 HydrophobicContact CD1-CG1 4.27Å; L4093-I4101 HydrophobicContact CG-CD1 4.3Å
4094	P	73.5	Confident	64.2	Low	62 Å²	62	86.7 Å²	86.7	40%	0.403	44%	0.44	S	S	.	.			trans	-52.4	142	174.8	-28.4	34.5	0	0	0	112.4	N4096 L4097 H4098	P4094-N4096 PolarHBondContact O-N 3.4Å; P4094-L4097 WeakPolarHBondContact O-CA 3.39Å; P4094-L4097 WeakPolarHBondContact O-CB 3.42Å; P4094-L4097 PolarHBondContact O-N 3.1Å; P4094-H4098 PolarHBondContact O-CD2 2.81Å
4095	V	70.2	Confident	62.6	Low	113 Å²	113	83.1 Å²	83.1	69%	0.685	43%	0.434	S	S	*	.	H	α-helix	trans	-51.8	-36.4	-180	-174.9	0	0	0	0	111.7	L4097 H4098	V4095-L4097 PolarHBondContact O-N 3.44Å; V4095-H4098 WeakPolarHBondContact O-CB 3.37Å; V4095-H4098 PolarHBondContact O-N 2.92Å
4096	N	69.9	Low	61.4	Low	114 Å²	114	79.7 Å²	79.7	61%	0.61	42%	0.424	S	S	*	.	H	α-helix	trans	-51.7	-25.4	174	-54	-5.1	0	0	0	114.3	P4094 R4099	P4094-N4096 PolarHBondContact O-N 3.4Å; N4096-R4099 PolarHBondContact O-NE 2.88Å; N4096-R4099 PolarHBondContact O-NH2 3.38Å
4097	L	70.7	Confident	59.8	Low	72 Å²	72	83.3 Å²	83.3	38%	0.377	45%	0.45	S	S	.	.	H	α-helix	trans	-101.9	-13.5	179.8	-57.7	-175.7	0	0	0	113.6	L4093 P4094 V4095 R4099 F4100	L4093-L4097 HydrophobicContact CD2-CD1 4.16Å; P4094-L4097 WeakPolarHBondContact O-CA 3.39Å; P4094-L4097 WeakPolarHBondContact O-CB 3.42Å; P4094-L4097 PolarHBondContact O-N 3.1Å; V4095-L4097 PolarHBondContact O-N 3.44Å; L4097-R4099 PolarHBondContact O-N 3.11Å; L4097-F4100 HydrophobicContact CB-CD2 4.44Å; L4097-F4100 HydrophobicContact CD2-CD2 3.94Å; L4097-F4100 HydrophobicContact CD2-CE2 4.06Å; L4097-F4100 PolarHBondContact O-N 2.95Å
4098	H	70.4	Confident	58.2	Low	58 Å²	58	82.6 Å²	82.6	27%	0.269	46%	0.456	S	S	.	.	H	α-helix	trans	-57.1	-36.3	-178.2	-72.7	-164.4	0	0	0	112.5	R4090 L4093 P4094 V4095 F4100 I4101	R4090-H4098 PolarHBondContact O-NE2 2.92Å; L4093-H4098 PolarHBondContact O-CD2 3.39Å; L4093-H4098 PolarHBondContact O-NE2 3.44Å; P4094-H4098 PolarHBondContact O-CD2 2.81Å; V4095-H4098 WeakPolarHBondContact O-CB 3.37Å; V4095-H4098 PolarHBondContact O-N 2.92Å; H4098-F4100 PolarHBondContact O-N 3.03Å; H4098-F4100 VanDerWaalsContact O-N 3.16Å; H4098-I4101 PolarHBondContact O-N 2.99Å
4099	R	60	Low	56.3	Low	160 Å²	160	83 Å²	83	60%	0.604	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.4	173.3	58.4	179.9	167.1	174.3	-1.2	115.1	N4096 L4097	N4096-R4099 PolarHBondContact O-NE 2.88Å; N4096-R4099 PolarHBondContact O-NH2 3.38Å; L4097-R4099 PolarHBondContact O-N 3.11Å
4100	F	59.1	Low	54.4	Low	144 Å²	144	84.7 Å²	84.7	63%	0.632	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-3.6	176.3	-49.8	-56.9	0	0	0	112.9	L4097 H4098	L4097-F4100 HydrophobicContact CB-CD2 4.44Å; L4097-F4100 HydrophobicContact CD2-CD2 3.94Å; L4097-F4100 HydrophobicContact CD2-CE2 4.06Å; L4097-F4100 PolarHBondContact O-N 2.95Å; H4098-F4100 PolarHBondContact O-N 3.03Å; H4098-F4100 VanDerWaalsContact O-N 3.16Å
4101	I	50.9	Low	52.7	Low	26 Å²	26	94.2 Å²	94.2	13%	0.133	51%	0.511	C	S	.	.			trans	-105.6	86.2	-177.3	-48.6	164	0	0	0	109.8	R4090 L4093 H4098	R4090-I4101 HydrophobicContact CG-CD1 4.17Å; R4090-I4101 HydrophobicContact CG-CG2 4.29Å; R4090-I4101 PolarHBondContact NH2-O 3.09Å; L4093-I4101 HydrophobicContact CB-CD1 3.98Å; L4093-I4101 HydrophobicContact CD1-CD1 3.4Å; L4093-I4101 HydrophobicContact CD1-CG1 4.27Å; L4093-I4101 HydrophobicContact CG-CD1 4.3Å; H4098-I4101 PolarHBondContact O-N 2.99Å
4102	L	48.8	Very low	50.7	Low	32 Å²	32	93.3 Å²	93.3	17%	0.168	52%	0.515	C	S	.	.			trans	-63.2	138.5	174	-84.4	164.5	0	0	0	112.3	W3985 V4000 G4104 C4105	W3985-L4102 HydrophobicContact CD2-CD2 3.92Å; W3985-L4102 HydrophobicContact CE3-CD2 3.74Å; W3985-L4102 HydrophobicContact CH2-CD1 3.9Å; W3985-L4102 HydrophobicContact CH2-CD2 3.89Å; W3985-L4102 HydrophobicContact CH2-CG 3.89Å; W3985-L4102 HydrophobicContact CZ2-CD2 4.06Å; W3985-L4102 HydrophobicContact CZ2-CG 4.22Å; W3985-L4102 HydrophobicContact CZ3-CD1 3.88Å; W3985-L4102 HydrophobicContact CZ3-CD2 3.72Å; W3985-L4102 HydrophobicContact CZ3-CG 4.09Å; V4000-L4102 HydrophobicContact CB-CD1 4.34Å; V4000-L4102 HydrophobicContact CG1-CD1 3.3Å; V4000-L4102 HydrophobicContact CG2-CD1 3.99Å; L4102-G4104 PolarHBondContact O-N 3.4Å; L4102-G4104 VanDerWaalsContact O-N 3.1Å; L4102-C4105 PolarHBondContact O-N 2.83Å
4103	P	42.9	Very low	48.5	Very low	92 Å²	92	91.2 Å²	91.2	60%	0.597	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	110.1	174.4	29.6	-31.4	0	0	0	109.2
4104	G	40.3	Very low	46.1	Very low	50 Å²	50	95.3 Å²	95.3	52%	0.515	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	123.7	-14	-176.3	0	0	0	0	0	115.2	L4102 I4106	L4102-G4104 PolarHBondContact O-N 3.4Å; L4102-G4104 VanDerWaalsContact O-N 3.1Å; G4104-I4106 PolarHBondContact O-N 3.18Å; G4104-I4106 VanDerWaalsContact O-N 3.1Å
4105	C	37.8	Very low	44.1	Very low	83 Å²	83	97.3 Å²	97.3	56%	0.561	55%	0.548	S	S	*	.			trans	-70.9	-1.3	179.5	-75.9	0	0	0	0	115.2	L4102 S4107	L4102-C4105 PolarHBondContact O-N 2.83Å; C4105-S4107 PolarHBondContact O-N 3.11Å
4106	I	38.2	Very low	42.2	Very low	46 Å²	46	95.3 Å²	95.3	24%	0.236	55%	0.551	C	S	.	*	S	Bend	trans	-90.2	99	-177	-48.3	-174.8	0	0	0	109.4	L4082 T4086 V4089 G4104 S4108	L4082-I4106 HydrophobicContact CD1-CB 4.23Å; T4086-I4106 VanDerWaalsContact CA-CD1 3.48Å; T4086-I4106 HydrophobicContact CG2-CD1 4.3Å; V4089-I4106 HydrophobicContact CB-CD1 3.94Å; V4089-I4106 HydrophobicContact CG1-CD1 4.26Å; V4089-I4106 HydrophobicContact CG2-CD1 3.98Å; G4104-I4106 PolarHBondContact O-N 3.18Å; G4104-I4106 VanDerWaalsContact O-N 3.1Å; I4106-S4108 PolarHBondContact O-N 3.39Å
4107	S	31.8	Very low	40.3	Very low	90 Å²	90	96 Å²	96	63%	0.629	56%	0.559	S	S	*	*			trans	-52.3	134	-177.4	-69.1	0	0	0	0	112.3	C4105 L4109	C4105-S4107 PolarHBondContact O-N 3.11Å; S4107-L4109 PolarHBondContact O-N 3.19Å
4108	S	30.6	Very low	38.2	Very low	83 Å²	83	97.1 Å²	97.1	58%	0.58	57%	0.573	S	S	*	*			trans	-69.4	103.3	175.6	61	0	0	0	0	110.7	I4106 S4110	I4106-S4108 PolarHBondContact O-N 3.39Å; S4108-S4110 PolarHBondContact O-N 3.44Å; S4108-S4110 VanDerWaalsContact O-N 3.13Å
4109	L	32.6	Very low	36.4	Very low	127 Å²	127	97.7 Å²	97.7	67%	0.665	58%	0.583	S	S	*	*			trans	-47.7	119.6	166.3	-88.3	160.7	0	0	0	109.6	S4107	S4107-L4109 PolarHBondContact O-N 3.19Å
4110	S	27.2	Very low	35.1	Very low	88 Å²	88	98.1 Å²	98.1	62%	0.615	59%	0.592	S	S	*	*			trans	-67.2	152.4	174.9	-69.2	0	0	0	0	110.2	S4108 S4112	S4108-S4110 PolarHBondContact O-N 3.44Å; S4108-S4110 VanDerWaalsContact O-N 3.13Å; S4110-S4112 PolarHBondContact O-N 2.76Å
4111	R	31.5	Very low	33.7	Very low	256 Å²	256	100.9 Å²	100.9	97%	0.966	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	41.5	-175.6	-60.8	176.3	69.4	-175.7	3.6	113.2
4112	S	29.6	Very low	32.6	Very low	108 Å²	108	105.7 Å²	105.7	76%	0.755	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150	11	-166.7	-47	0	0	0	0	114	S4110	S4110-S4112 PolarHBondContact O-N 2.76Å
4113	S	27.5	Very low	31.6	Very low	74 Å²	74	110.9 Å²	110.9	52%	0.517	66%	0.663	S	S	.	*			trans	-123.8	78.8	-175.6	-61.3	0	0	0	0	111.8	I4115	S4113-I4115 PolarHBondContact O-N 3.46Å
4114	S	24.4	Very low	30.9	Very low	124 Å²	124	113.6 Å²	113.6	87%	0.867	67%	0.672	S	S	*	*			trans	-74.3	102.7	161.2	55	0	0	0	0	109
4115	I	32.3	Very low	30.4	Very low	103 Å²	103	115.7 Å²	115.7	53%	0.528	68%	0.678	S	S	.	*			trans	-126	110.6	171.5	-72.5	179.6	0	0	0	107.4	S4113	S4113-I4115 PolarHBondContact O-N 3.46Å
4116	G	29.4	Very low	30	Very low	72 Å²	72	119.8 Å²	119.8	74%	0.742	69%	0.694	S	S	*	*			trans	-68.9	138.6	169.3	0	0	0	0	0	110.7	S4118	G4116-S4118 PolarHBondContact O-N 3.15Å
4117	T	30	Very low	29.6	Very low	129 Å²	129	123.9 Å²	123.9	79%	0.791	71%	0.714	S	S	*	*			trans	-83.1	104.8	-176.3	44.7	0	0	0	0	111.6
4118	S	27.6	Very low	29.4	Very low	94 Å²	94	126.5 Å²	126.5	66%	0.657	72%	0.721	S	S	*	*			trans	-97.1	95.9	162.6	176.8	0	0	0	0	108.3	G4116	G4116-S4118 PolarHBondContact O-N 3.15Å
4119	S	32.1	Very low	29.3	Very low	70 Å²	70	129.3 Å²	129.3	49%	0.49	72%	0.722	S	S	.	*			trans	-103.2	84.6	-173.3	-59.7	0	0	0	0	111.2	Y4121	S4119-Y4121 WeakPolarHBondContact O-CD2 3.33Å; S4119-Y4121 PolarHBondContact O-N 2.96Å
4120	H	31.9	Very low	29.2	Very low	169 Å²	169	129.9 Å²	129.9	78%	0.782	73%	0.725	S	S	*	*			trans	-78	100	169.4	-75.9	-76.7	0	0	0	110.3
4121	Y	30	Very low	29.2	Very low	202 Å²	202	130 Å²	130	79%	0.792	73%	0.726	S	S	*	*			trans	-79.9	118.3	173.7	-67.1	-87.6	0	0	0	110.7	S4119	S4119-Y4121 WeakPolarHBondContact O-CD2 3.33Å; S4119-Y4121 PolarHBondContact O-N 2.96Å
4122	T	28.1	Very low	29.1	Very low	128 Å²	128	125.6 Å²	125.6	79%	0.785	72%	0.721	S	S	*	*			trans	-113.8	98.1	168	56.9	0	0	0	0	109.5	I4124	T4122-I4124 PolarHBondContact O-N 2.96Å
4123	T	26.9	Very low	29.1	Very low	140 Å²	140	124.6 Å²	124.6	86%	0.859	71%	0.714	S	S	*	*			trans	-76.2	104.4	178.7	49.8	0	0	0	0	111.2
4124	I	30	Very low	29	Very low	150 Å²	150	132 Å²	132	77%	0.769	73%	0.731	S	S	*	*			trans	-122	144.1	160.5	-60.1	179.6	0	0	0	106.5	T4122	T4122-I4124 PolarHBondContact O-N 2.96Å
4125	S	28.9	Very low	29.3	Very low	93 Å²	93	134.1 Å²	134.1	65%	0.65	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	148.5	-157.4	-49	0	0	0	0	116.3	M4127	S4125-M4127 VanDerWaalsContact C-N 3.28Å; S4125-M4127 PolarHBondContact O-N 2.83Å
4126	D	30.2	Very low	29.4	Very low	169 Å²	169	134.5 Å²	134.5	90%	0.904	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.7	4.5	157.5	-50	-27.1	0	0	0	119
4127	M	27.9	Very low	29.5	Very low	132 Å²	132	135.9 Å²	135.9	65%	0.65	73%	0.73	S	S	*	*			trans	-133.9	112.2	172.5	-72.3	-174.8	-77.4	0	0	114	S4125 F4129	S4125-M4127 VanDerWaalsContact C-N 3.28Å; S4125-M4127 PolarHBondContact O-N 2.83Å; M4127-F4129 HydrophobicContact CB-CD2 4.02Å; M4127-F4129 HydrophobicContact CB-CE2 3.58Å; M4127-F4129 HydrophobicContact CB-CZ 4.44Å; M4127-F4129 HydrophobicContact CE-CE2 4.42Å; M4127-F4129 HydrophobicContact CG-CE2 4.44Å; M4127-F4129 PolarHBondContact O-N 3.07Å; M4127-F4129 HydrophobicContact SD-CE2 4.13Å; M4127-F4129 HydrophobicContact SD-CZ 4.19Å
4128	L	28.5	Very low	29.6	Very low	146 Å²	146	138.6 Å²	138.6	76%	0.764	73%	0.727	S	S	*	*			trans	-82.6	99.3	171.6	-81.4	167.9	0	0	0	111.4	L4130	L4128-L4130 PolarHBondContact O-N 3.49Å
4129	F	27.9	Very low	30	Very low	141 Å²	141	143.8 Å²	143.8	62%	0.618	73%	0.732	S	S	*	*			trans	-85	101.8	175	-76.8	-88.3	0	0	0	112.4	M4127 S4131	M4127-F4129 HydrophobicContact CB-CD2 4.02Å; M4127-F4129 HydrophobicContact CB-CE2 3.58Å; M4127-F4129 HydrophobicContact CB-CZ 4.44Å; M4127-F4129 HydrophobicContact CE-CE2 4.42Å; M4127-F4129 HydrophobicContact CG-CE2 4.44Å; M4127-F4129 PolarHBondContact O-N 3.07Å; M4127-F4129 HydrophobicContact SD-CE2 4.13Å; M4127-F4129 HydrophobicContact SD-CZ 4.19Å; F4129-S4131 VanDerWaalsContact C-N 3.35Å; F4129-S4131 PolarHBondContact O-N 3.2Å; F4129-S4131 VanDerWaalsContact O-N 3.11Å
4130	L	31.1	Very low	30.1	Very low	139 Å²	139	151.1 Å²	151.1	73%	0.728	75%	0.749	S	S	*	*			trans	-82.9	72.6	172.6	-81.9	167.7	0	0	0	112.2	L4128 L4132	L4128-L4130 PolarHBondContact O-N 3.49Å; L4130-L4132 PolarHBondContact O-N 3.02Å
4131	S	28	Very low	30.3	Very low	91 Å²	91	150 Å²	150	64%	0.636	74%	0.744	S	S	*	*			trans	-75	83.6	178.8	-62.2	0	0	0	0	112.8	F4129 S4133	F4129-S4131 VanDerWaalsContact C-N 3.35Å; F4129-S4131 PolarHBondContact O-N 3.2Å; F4129-S4131 VanDerWaalsContact O-N 3.11Å; S4131-S4133 PolarHBondContact O-N 3.48Å
4132	L	29.1	Very low	30.5	Very low	163 Å²	163	150.3 Å²	150.3	85%	0.853	74%	0.744	S	S	*	*			trans	-75	60.8	174.9	-88.2	154.1	0	0	0	112.8	L4130 R4134	L4130-L4132 PolarHBondContact O-N 3.02Å; L4132-R4134 PolarHBondContact O-N 3.1Å
4133	S	28.6	Very low	30.8	Very low	87 Å²	87	155.2 Å²	155.2	61%	0.608	75%	0.749	S	S	*	*			trans	-67.5	122.4	-178	-57.5	0	0	0	0	112.4	S4131 K4135	S4131-S4133 PolarHBondContact O-N 3.48Å; S4133-K4135 PolarHBondContact O-N 3.05Å
4134	R	27.1	Very low	31.3	Very low	230 Å²	230	154.6 Å²	154.6	87%	0.868	74%	0.737	S	S	*	*			trans	-76.4	81.7	-178.3	-67.1	-175.5	179	-166.4	0.8	112	L4132 T4136	L4132-R4134 PolarHBondContact O-N 3.1Å; R4134-T4136 PolarHBondContact O-N 2.61Å
4135	K	30.3	Very low	31.4	Very low	169 Å²	169	155.7 Å²	155.7	74%	0.735	74%	0.738	S	S	*	*			trans	-67.9	91.6	175.6	-160	170.1	-171.5	174.7	0	111.2	S4133 S4137	S4133-K4135 PolarHBondContact O-N 3.05Å; K4135-S4137 PolarHBondContact O-N 3.5Å
4136	T	33.2	Very low	31.7	Very low	110 Å²	110	158 Å²	158	68%	0.675	74%	0.739	S	S	*	*			trans	-73.6	94	178.7	48.9	0	0	0	0	110.8	R4134 Y4138	R4134-T4136 PolarHBondContact O-N 2.61Å; T4136-Y4138 PolarHBondContact O-N 3.14Å
4137	S	31.6	Very low	31.9	Very low	102 Å²	102	157.8 Å²	157.8	71%	0.713	73%	0.732	S	S	*	*			trans	-67.9	101.7	177.3	-172.2	0	0	0	0	111.2	K4135 R4139	K4135-S4137 PolarHBondContact O-N 3.5Å; S4137-R4139 PolarHBondContact O-N 3.13Å
4138	Y	33.5	Very low	32.3	Very low	185 Å²	185	159 Å²	159	73%	0.725	74%	0.735	S	S	*	*			trans	-74.8	61.7	174.5	-98	-79.7	0	0	0	111.6	T4136 R4140	T4136-Y4138 PolarHBondContact O-N 3.14Å; Y4138-R4140 PolarHBondContact O-N 3.13Å
4139	R	36	Very low	32.6	Very low	204 Å²	204	160.3 Å²	160.3	77%	0.77	74%	0.737	S	S	*	*			trans	-69.3	79.4	171.7	-112.5	-167.8	176.6	-174.2	1.1	110.7	S4137 H4141	S4137-R4139 PolarHBondContact O-N 3.13Å; R4139-H4141 PolarHBondContact O-N 2.9Å
4140	R	32.5	Very low	33	Very low	223 Å²	223	162.7 Å²	162.7	84%	0.842	75%	0.75	S	S	*	*			trans	-71.2	65.4	169.5	-74.4	-174.8	172.7	179.7	-0.5	111.2	Y4138 R4142	Y4138-R4140 PolarHBondContact O-N 3.13Å; R4140-R4142 PolarHBondContact O-N 2.83Å
4141	H	36.5	Very low	33.2	Very low	145 Å²	145	163.6 Å²	163.6	67%	0.671	75%	0.75	S	S	*	*			trans	-77.7	119.3	165	-76.9	-86.3	0	0	0	109.5	R4139	R4139-H4141 PolarHBondContact O-N 2.9Å
4142	R	34.5	Very low	33.5	Very low	209 Å²	209	165.8 Å²	165.8	79%	0.789	76%	0.755	S	S	*	*			trans	-74.3	124.6	-179.8	-61.7	171.5	179.4	144.9	-1.9	108.6	R4140 Q4144	R4140-R4142 PolarHBondContact O-N 2.83Å; R4142-Q4144 HydrophobicContact CB-CG 4.39Å; R4142-Q4144 PolarHBondContact O-N 3.1Å
4143	Y	34.7	Very low	33.8	Very low	232 Å²	232	165.6 Å²	165.6	91%	0.91	75%	0.749	S	S	*	*			trans	-70.2	86.2	157.1	-84.9	-89.3	0	0	0	108.4	H4145	Y4143-H4145 PolarHBondContact O-N 3.13Å
4144	Q	38.1	Very low	34.2	Very low	127 Å²	127	166.9 Å²	166.9	59%	0.593	76%	0.758	S	S	*	*			trans	-78.8	114.4	163.9	-84.5	178.1	-106.3	0	0	108.6	R4142 H4146	R4142-Q4144 HydrophobicContact CB-CG 4.39Å; R4142-Q4144 PolarHBondContact O-N 3.1Å; Q4144-H4146 VanDerWaalsContact C-N 3.3Å; Q4144-H4146 PolarHBondContact O-N 3.25Å
4145	H	31.7	Very low	34.4	Very low	173 Å²	173	162.7 Å²	162.7	80%	0.801	75%	0.753	S	S	*	*			trans	-65.1	90.3	164.7	-90.3	-91.5	0	0	0	109.3	Y4143 H4147	Y4143-H4145 PolarHBondContact O-N 3.13Å; H4145-H4147 VanDerWaalsContact C-N 3.31Å; H4145-H4147 PolarHBondContact O-N 3.36Å
4146	H	34.8	Very low	34.7	Very low	142 Å²	142	163.6 Å²	163.6	66%	0.657	76%	0.76	S	S	*	*			trans	-82.1	85	156.8	-85.5	-60	0	0	0	109.2	Q4144 H4148	Q4144-H4146 VanDerWaalsContact C-N 3.3Å; Q4144-H4146 PolarHBondContact O-N 3.25Å; H4146-H4148 PolarHBondContact O-N 2.83Å
4147	H	35	Very low	34.7	Very low	164 Å²	164	165.8 Å²	165.8	76%	0.759	76%	0.762	S	S	*	*			trans	-60	123	142.4	-82.1	-74.4	0	0	0	107.1	H4145	H4145-H4147 VanDerWaalsContact C-N 3.31Å; H4145-H4147 PolarHBondContact O-N 3.36Å
4148	H	36.2	Very low	35	Very low	156 Å²	156	169 Å²	169	72%	0.722	77%	0.766	S	S	*	*			trans	-122.5	134.9	160.1	-102.2	35.1	0	0	0	108.9	H4146 H4150	H4146-H4148 PolarHBondContact O-N 2.83Å; H4148-H4150 PolarHBondContact O-N 3.25Å
4149	H	33.6	Very low	34.9	Very low	175 Å²	175	169.1 Å²	169.1	81%	0.81	77%	0.767	S	S	*	*			trans	-74.7	117.5	172.9	-78.9	-90	0	0	0	108.3
4150	H	36.5	Very low	35	Very low	191 Å²	191	168.9 Å²	168.9	88%	0.884	77%	0.767	S	S	*	*			trans	-102.3	104.7	141.7	-88.1	-88.1	0	0	0	108.1	H4148	H4148-H4150 PolarHBondContact O-N 3.25Å
4151	H	34.9	Very low	35.2	Very low	158 Å²	158	164.2 Å²	164.2	73%	0.731	76%	0.755	S	S	*	*			trans	-110.2	117.2	171.4	-158.7	62.4	0	0	0	104.8
4152	N	35.5	Very low	35.1	Very low	137 Å²	137	165.3 Å²	165.3	73%	0.733	76%	0.76	S	S	*	*			trans	179.7	145	150.4	-90.8	-17	0	0	0	110.8
4153	H	34.5	Very low	35.1	Very low	159 Å²	159	164.2 Å²	164.2	74%	0.736	76%	0.763	S	S	*	*			trans	10.9	138.5	154.3	-51.7	-69.9	0	0	0	119.8
4154	S	37.2	Very low	35.1	Very low	113 Å²	113	161.2 Å²	161.2	79%	0.79	76%	0.757	S	S	*	*			cis	-147.5	141.2	39.4	-58.2	0	0	0	0	115.2
4155	D	32.6	Very low	35	Very low	143 Å²	143	162 Å²	162	77%	0.765	77%	0.766	S	S	*	*			trans	-75.6	134.9	158	-68.6	-78.8	0	0	0	110.2
4156	Q	36.5	Very low	35	Very low	188 Å²	188	162 Å²	162	88%	0.879	76%	0.763	S	S	*	*			trans	-148.4	138.2	150.1	-124.1	175.6	78.4	0	0	111.7
4157	Q	33.3	Very low	35.1	Very low	156 Å²	156	164.5 Å²	164.5	73%	0.729	77%	0.769	S	S	*	*			trans	-120.3	118.8	-169.5	-58.7	170.6	8.4	0	0	110.6
4158	Q	36.6	Very low	35.1	Very low	169 Å²	169	162.3 Å²	162.3	79%	0.79	77%	0.766	S	S	*	*			trans	-150.4	121.1	158	-60.9	-167.1	41.3	0	0	106.4
4159	Y	30.9	Very low	35.2	Very low	188 Å²	188	159.3 Å²	159.3	74%	0.737	76%	0.763	S	S	*	*			cis	88.9	60.6	10.1	-127.1	-57.9	0	0	0	117.5
4160	Y	38.4	Very low	35.3	Very low	199 Å²	199	157.8 Å²	157.8	78%	0.78	76%	0.761	S	S	*	*			trans	-139.5	117.5	148	-82	-79.5	0	0	0	107.8
4161	H	37.5	Very low	35.6	Very low	125 Å²	125	154.6 Å²	154.6	58%	0.579	76%	0.755	S	S	*	*				61.8	111	92.7	-77.7	-66.9	0	0	0	113.3
4162	H	33.1	Very low	35.9	Very low	168 Å²	168	153.1 Å²	153.1	78%	0.778	75%	0.752	S	S	*	*				72.4	140.5	99.8	-72.7	20.3	0	0	0	112.3
4163	E	35.5	Very low	36.1	Very low	186 Å²	186	153 Å²	153	87%	0.869	75%	0.752	S	S	*	*			cis	-133.4	168.3	32.6	-69.3	173.6	117.5	0	0	114.5
4164	H	34.4	Very low	36.4	Very low	169 Å²	169	152.6 Å²	152.6	78%	0.782	76%	0.755	S	S	*	*			trans	-75.9	144.3	155.6	-93.9	-89.5	0	0	0	108.6
4165	D	36.5	Very low	36.5	Very low	144 Å²	144	154.3 Å²	154.3	77%	0.77	76%	0.755	S	S	*	*			trans	-141	129.3	149.5	-128.2	-22.1	0	0	0	112.2
4166	F	32.1	Very low	36.9	Very low	171 Å²	171	155.2 Å²	155.2	75%	0.75	76%	0.755	S	S	*	*			trans	-101.5	113.9	172	-96.3	-100.5	0	0	0	107.3
4167	Y	37.1	Very low	37	Very low	195 Å²	195	151.4 Å²	151.4	77%	0.765	75%	0.749	S	S	*	*			trans	-110.2	89.1	165.3	-106.1	-89	0	0	0	111.4
4168	V	33.7	Very low	37.1	Very low	118 Å²	118	150.6 Å²	150.6	72%	0.715	75%	0.748	S	S	*	*			trans	-86.4	124	152.4	175.7	0	0	0	0	106.8
4169	S	39.5	Very low	37.2	Very low	93 Å²	93	149 Å²	149	65%	0.65	74%	0.741	S	S	*	*			trans	-139.8	111.9	164.1	-67.4	0	0	0	0	107.6
4170	D	35.8	Very low	37.5	Very low	143 Å²	143	149.1 Å²	149.1	77%	0.765	74%	0.74	S	S	*	*			trans	-60.9	160	166.2	-50.5	-78.8	0	0	0	110.3
4171	V	42.1	Very low	37.4	Very low	124 Å²	124	145.8 Å²	145.8	75%	0.752	74%	0.735	S	S	*	*			trans	-177.8	129	140.4	136.6	0	0	0	0	110.5
4172	N	40.8	Very low	37.3	Very low	128 Å²	128	145.9 Å²	145.9	68%	0.684	74%	0.74	S	S	*	*			trans	70.1	124.6	171.3	-55.9	-5.2	0	0	0	116.6
4173	D	39.9	Very low	37.4	Very low	135 Å²	135	146.4 Å²	146.4	72%	0.722	74%	0.743	S	S	*	*				72.6	123.9	57.3	-54.5	-22.6	0	0	0	110.8
4174	D	41.1	Very low	37.6	Very low	150 Å²	150	145 Å²	145	80%	0.802	74%	0.739	S	S	*	*			cis	-131	-176.7	3	-69.9	-67.1	0	0	0	108.9
4175	D	40	Very low	37.7	Very low	148 Å²	148	146 Å²	146	79%	0.791	74%	0.742	S	S	*	*			cis	-157.8	-176.4	21.9	-157.8	-13.6	0	0	0	111.2
4176	Q	39.9	Very low	37.5	Very low	162 Å²	162	148 Å²	148	76%	0.757	75%	0.746	S	S	*	*			trans	-102.2	-175.2	-158.9	-53.2	-174.2	16.5	0	0	116.4
4177	S	37.9	Very low	37.7	Very low	109 Å²	109	145.6 Å²	145.6	76%	0.762	75%	0.748	S	S	*	*			trans	78.9	108.3	178.4	75.6	0	0	0	0	115.2
4178	I	37.2	Very low	37.5	Very low	139 Å²	139	148.1 Å²	148.1	71%	0.713	76%	0.756	S	S	*	*			cis	85.9	118.3	38	-56.1	166.8	0	0	0	113.7
4179	H	38.8	Very low	37.4	Very low	136 Å²	136	150.4 Å²	150.4	63%	0.63	76%	0.761	S	S	*	*			trans	88.7	108.3	155.4	-81.1	-1.9	0	0	0	121.8
4180	R	36.6	Very low	37.1	Very low	190 Å²	190	150.1 Å²	150.1	72%	0.717	76%	0.757	S	S	*	*				87.7	124.4	120	-71.5	177.9	-160.2	-143.2	8.6	119
4181	N	35.8	Very low	37.1	Very low	129 Å²	129	150.4 Å²	150.4	69%	0.69	76%	0.759	S	S	*	*				46.7	130.3	121.9	-64.4	63.5	0	0	0	118.7
4182	D	36.6	Very low	36.9	Very low	126 Å²	126	148.2 Å²	148.2	67%	0.674	75%	0.749	S	S	*	*			cis	-152.2	169.5	16.3	-93.4	-39.8	0	0	0	112
4183	Q	34.2	Very low	36.9	Very low	179 Å²	179	147.8 Å²	147.8	84%	0.836	75%	0.75	S	S	*	*			trans	65.1	114.6	168.9	-60.5	167.1	54.2	0	0	117.1
4184	I	38.8	Very low	36.8	Very low	156 Å²	156	149.4 Å²	149.4	80%	0.8	75%	0.754	S	S	*	*				177.5	128.4	116.3	-91	156.2	0	0	0	110
4185	K	37	Very low	36.6	Very low	191 Å²	191	147.6 Å²	147.6	83%	0.83	74%	0.744	S	S	*	*			trans	36.2	99.2	159.6	-61.8	172.6	-175.5	177.3	0	118
4186	Q	33.4	Very low	36.3	Very low	186 Å²	186	149.7 Å²	149.7	87%	0.869	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-65.5	146.4	148.3	-73.4	-160.8	-2.1	0	0	110.3	R4188	Q4186-R4188 PolarHBondContact O-N 2.91Å
4187	P	35.7	Very low	36.2	Very low	121 Å²	121	150.4 Å²	150.4	79%	0.786	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-69.3	124.7	174.8	28.5	-33.4	0	0	0	110.7	M4189	P4187-M4189 PolarHBondContact O-N 2.65Å
4188	R	32.8	Very low	36	Very low	247 Å²	247	153.2 Å²	153.2	93%	0.932	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-65.3	124.7	166.2	-85.4	-176.4	170.5	177.8	-3.8	108.8	Q4186	Q4186-R4188 PolarHBondContact O-N 2.91Å
4189	M	32	Very low	36	Very low	166 Å²	166	153.7 Å²	153.7	82%	0.818	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-61.2	132.9	165.8	-72.7	-70.4	-177.4	0	0	109.8	P4187 N4191	P4187-M4189 PolarHBondContact O-N 2.65Å; M4189-N4191 PolarHBondContact O-N 3.33Å
4190	P	32.9	Very low	35.9	Very low	87 Å²	87	154.6 Å²	154.6	57%	0.565	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-76.8	120.1	170.7	30.3	-31.9	0	0	0	109.9	S4192	P4190-S4192 PolarHBondContact O-N 3.15Å
4191	N	34.8	Very low	35.9	Very low	150 Å²	150	152.5 Å²	152.5	80%	0.802	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-70.6	5	-179	-75.3	-15.4	0	0	0	114.5	M4189 V4193	M4189-N4191 PolarHBondContact O-N 3.33Å; N4191-V4193 VanDerWaalsContact C-N 3.3Å; N4191-V4193 PolarHBondContact O-N 3.03Å
4192	S	38.5	Very low	35.7	Very low	78 Å²	78	152.7 Å²	152.7	55%	0.545	74%	0.739	S	S	.	*	G	3₁₀ helix	trans	-76.6	-5.5	-174	50.9	0	0	0	0	115.6	P4190	P4190-S4192 PolarHBondContact O-N 3.15Å
4193	V	40.7	Very low	35.5	Very low	118 Å²	118	154.7 Å²	154.7	72%	0.715	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-86.1	-10	-169.8	-172.9	0	0	0	0	113.7	N4191	N4191-V4193 VanDerWaalsContact C-N 3.3Å; N4191-V4193 PolarHBondContact O-N 3.03Å
4194	Q	37.5	Very low	35.5	Very low	170 Å²	170	154.6 Å²	154.6	79%	0.794	74%	0.741	S	S	*	*	S	Bend	trans	-98.5	-29.6	-176.8	-72.5	-169.9	-16.9	0	0	115.6	Y4196 K4197	Q4194-Y4196 VanDerWaalsContact C-N 3.33Å; Q4194-Y4196 PolarHBondContact O-N 2.7Å; Q4194-K4197 PolarHBondContact O-N 2.62Å
4195	D	36.7	Very low	35	Very low	112 Å²	112	157.3 Å²	157.3	60%	0.599	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-72.2	-22.9	-176.7	-74.1	-51.8	0	0	0	114.4	K4197 Y4198	D4195-K4197 PolarHBondContact O-N 3.37Å; D4195-Y4198 PolarHBondContact O-N 3.01Å
4196	Y	33.7	Very low	34.6	Very low	192 Å²	192	156.4 Å²	156.4	75%	0.753	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-61.8	-12	177.6	-96.1	-83.4	0	0	0	114.7	Q4194	Q4194-Y4196 VanDerWaalsContact C-N 3.33Å; Q4194-Y4196 PolarHBondContact O-N 2.7Å
4197	K	37.9	Very low	34.3	Very low	177 Å²	177	155 Å²	155	77%	0.77	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-97.4	-4.3	171.9	-78.3	-175.9	175.8	175.7	0	115	Q4194 D4195	Q4194-K4197 PolarHBondContact O-N 2.62Å; D4195-K4197 PolarHBondContact O-N 3.37Å
4198	Y	34.8	Very low	34	Very low	167 Å²	167	157.9 Å²	157.9	66%	0.655	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-34.1	178.5	-106.8	-86.5	0	0	0	114.3	D4195 Q4200 K4201	D4195-Y4198 PolarHBondContact O-N 3.01Å; Y4198-Q4200 VanDerWaalsContact C-N 3.34Å; Y4198-Q4200 PolarHBondContact O-N 3.06Å; Y4198-K4201 PolarHBondContact O-N 3.21Å
4199	Q	36.1	Very low	33.7	Very low	150 Å²	150	156.7 Å²	156.7	70%	0.701	74%	0.741	S	S	*	*	H	α-helix	trans	-63.8	-36	178.8	-67.5	-167.1	-3.3	0	0	113.2	K4201 N4202	Q4199-K4201 PolarHBondContact O-N 3.15Å; Q4199-K4201 VanDerWaalsContact O-N 3.12Å; Q4199-N4202 PolarHBondContact O-N 3.33Å
4200	Q	38.1	Very low	33.4	Very low	155 Å²	155	154.2 Å²	154.2	72%	0.724	74%	0.74	S	S	*	*	H	α-helix	trans	-66.1	-11.8	179.3	-72.4	-168.8	-8.5	0	0	115.1	Y4198	Y4198-Q4200 VanDerWaalsContact C-N 3.34Å; Y4198-Q4200 PolarHBondContact O-N 3.06Å
4201	K	35.7	Very low	33.2	Very low	146 Å²	146	156 Å²	156	64%	0.635	74%	0.743	S	S	*	*	H	α-helix	trans	-90.7	-26.3	178.9	-80.1	-176.5	174.9	177.3	0	114.4	Y4198 Q4199	Y4198-K4201 PolarHBondContact O-N 3.21Å; Q4199-K4201 PolarHBondContact O-N 3.15Å; Q4199-K4201 VanDerWaalsContact O-N 3.12Å
4202	N	32.7	Very low	32.9	Very low	132 Å²	132	153.4 Å²	153.4	71%	0.706	73%	0.729	S	S	*	*	H	α-helix	trans	-82.5	-16	-178.6	-75.4	-9.1	0	0	0	113.9	Q4199 K4204	Q4199-N4202 PolarHBondContact O-N 3.33Å; N4202-K4204 PolarHBondContact O-N 3.33Å
4203	Q	31.9	Very low	32.6	Very low	168 Å²	168	156 Å²	156	79%	0.785	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-2.8	172.7	-68.7	-174.7	-10.3	0	0	114.2
4204	K	33.6	Very low	32.2	Very low	177 Å²	177	159.3 Å²	159.3	77%	0.77	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	5.1	176.7	-82.1	-173	171.3	-178.6	0	115.4	N4202	N4202-K4204 PolarHBondContact O-N 3.33Å
4205	Y	28	Very low	32.1	Very low	214 Å²	214	160.1 Å²	160.1	84%	0.839	74%	0.737	S	S	*	*	S	Bend	trans	-115.3	42.3	175.8	-74.3	-75.3	0	0	0	113.9
4206	L	29.5	Very low	31.9	Very low	171 Å²	171	166.1 Å²	166.1	90%	0.895	75%	0.752	S	S	*	*			trans	-124.7	29.3	165.3	-116.3	166.1	0	0	0	112.9
4207	L	26.7	Very low	31.9	Very low	156 Å²	156	161.6 Å²	161.6	82%	0.817	75%	0.754	S	S	*	*			trans	-87.6	141.8	166.5	-139.6	75.8	0	0	0	109.9
4208	K	28.6	Very low	31.6	Very low	182 Å²	182	158.4 Å²	158.4	79%	0.791	75%	0.754	S	S	*	*			trans	75.6	52.8	158	-150	174.9	-172.7	174.5	0	118.4
4209	Y	28.1	Very low	31.5	Very low	223 Å²	223	156.8 Å²	156.8	88%	0.875	76%	0.757	S	S	*	*			trans	-117.7	61.8	144.8	-82.4	-70.9	0	0	0	111.8	I4211	Y4209-I4211 VanDerWaalsContact C-N 3.33Å; Y4209-I4211 PolarHBondContact O-N 2.74Å; Y4209-I4211 VanDerWaalsContact O-N 3.11Å
4210	S	25.3	Very low	31.3	Very low	114 Å²	114	155.7 Å²	155.7	80%	0.797	76%	0.763	S	S	*	*			trans	-72.2	91.9	157.2	-56.8	0	0	0	0	108	D4212	S4210-D4212 VanDerWaalsContact C-N 3.34Å; S4210-D4212 PolarHBondContact O-N 3.39Å
4211	I	27.6	Very low	31.1	Very low	123 Å²	123	155.8 Å²	155.8	63%	0.631	76%	0.763	S	S	*	*			trans	-73.1	96.4	167.8	-53.3	-178	0	0	0	106.9	Y4209 N4213	Y4209-I4211 VanDerWaalsContact C-N 3.33Å; Y4209-I4211 PolarHBondContact O-N 2.74Å; Y4209-I4211 VanDerWaalsContact O-N 3.11Å; I4211-N4213 VanDerWaalsContact CG2-OD1 3.27Å; I4211-N4213 WeakPolarHBondContact CG2-OD1 3.22Å; I4211-N4213 PolarHBondContact O-N 2.81Å
4212	D	29.8	Very low	31.1	Very low	97 Å²	97	156.4 Å²	156.4	52%	0.519	77%	0.773	S	S	.	*			trans	-74.1	93	176	-166.6	25.7	0	0	0	108.7	S4210 R4214	S4210-D4212 VanDerWaalsContact C-N 3.34Å; S4210-D4212 PolarHBondContact O-N 3.39Å; D4212-R4214 PolarHBondContact O-N 3.33Å; D4212-R4214 IonicContact OD1-CZ 3.35Å; D4212-R4214 VanDerWaalsContact OD1-CZ 3.23Å; D4212-R4214 IonicContact OD1-NE 2.8Å; D4212-R4214 PolarHBondContact OD1-NE 3.08Å; D4212-R4214 IonicContact OD1-NH2 3.82Å; D4212-R4214 PolarHBondContact OD1-NH2 3.42Å; D4212-R4214 IonicContact OD2-NE 3.79Å; D4212-R4214 IonicContact OD2-NH2 2.62Å
4213	N	30.9	Very low	30.9	Very low	132 Å²	132	157.8 Å²	157.8	71%	0.706	78%	0.775	S	S	*	*			trans	-67.8	34.6	-177.7	-77.8	-12	0	0	0	113.8	I4211	I4211-N4213 VanDerWaalsContact CG2-OD1 3.27Å; I4211-N4213 WeakPolarHBondContact CG2-OD1 3.22Å; I4211-N4213 PolarHBondContact O-N 2.81Å
4214	R	32.5	Very low	30.9	Very low	187 Å²	187	157.7 Å²	157.7	71%	0.706	78%	0.779	S	S	*	*	S	Bend	trans	-114.6	20.4	-175.6	-77.6	-176.5	-74.2	-161.3	-5.8	114.2	D4212	D4212-R4214 PolarHBondContact O-N 3.33Å; D4212-R4214 IonicContact OD1-CZ 3.35Å; D4212-R4214 VanDerWaalsContact OD1-CZ 3.23Å; D4212-R4214 IonicContact OD1-NE 2.8Å; D4212-R4214 PolarHBondContact OD1-NE 3.08Å; D4212-R4214 IonicContact OD1-NH2 3.82Å; D4212-R4214 PolarHBondContact OD1-NH2 3.42Å; D4212-R4214 IonicContact OD2-NE 3.79Å; D4212-R4214 IonicContact OD2-NH2 2.62Å
4215	K	35.2	Very low	30.5	Very low	187 Å²	187	155.6 Å²	155.6	81%	0.813	78%	0.781	S	S	*	*	S	Bend	trans	-136.9	13.5	176.6	-83.6	-156.1	168.3	-162.3	0	116.5
4216	W	34	Very low	30.7	Very low	239 Å²	239	150.9 Å²	150.9	91%	0.905	78%	0.779	S	S	*	*	S	Bend	trans	-117.4	36.7	-176.2	-69.7	85.5	0	0	0	113.3
4217	A	33.3	Very low	30.5	Very low	97 Å²	97	149.4 Å²	149.4	80%	0.802	78%	0.778	S	S	*	*	S	Bend	trans	-132.9	29.7	-175.6	0	0	0	0	0	112.8
4218	S	30.7	Very low	30.7	Very low	110 Å²	110	148 Å²	148	77%	0.769	78%	0.78	S	S	*	*			trans	-144.1	24.2	-165.9	-48.6	0	0	0	0	113.9
4219	D	33.2	Very low	30.7	Very low	132 Å²	132	148 Å²	148	71%	0.706	78%	0.783	S	S	*	*			trans	-134.1	102.7	-177.2	-161.1	-16.9	0	0	0	110.1
4220	P	31.7	Very low	30.6	Very low	128 Å²	128	143.5 Å²	143.5	83%	0.831	78%	0.778	S	S	*	*			trans	-97	11.6	-166.1	37.3	-35.9	0	0	0	115.4
4221	E	34.7	Very low	30.9	Very low	156 Å²	156	145.6 Å²	145.6	73%	0.729	78%	0.778	S	S	*	*			trans	-125.1	4.4	-159.6	-141.2	166	-117	0	0	117.8	Q4223	E4221-Q4223 PolarHBondContact O-N 3.06Å
4222	L	34.5	Very low	30.8	Very low	160 Å²	160	145.8 Å²	145.8	84%	0.838	78%	0.781	S	S	*	*			trans	-75.2	81.3	177.4	-83.6	171.5	0	0	0	113.7
4223	Q	29.3	Very low	31	Very low	161 Å²	161	149.2 Å²	149.2	75%	0.752	79%	0.793	S	S	*	*			trans	-72.6	122.5	165.2	-58.1	-176.4	22.4	0	0	110.8	E4221	E4221-Q4223 PolarHBondContact O-N 3.06Å
4224	L	31.8	Very low	30.9	Very low	165 Å²	165	149 Å²	149	86%	0.864	79%	0.791	S	S	*	*			trans	-131.3	94	162.3	-79.1	177.5	0	0	0	110.1
4225	T	25.6	Very low	30.8	Very low	134 Å²	134	150.6 Å²	150.6	82%	0.822	80%	0.798	S	S	*	*			trans	-93.1	102.6	176.9	36.4	0	0	0	0	110.7
4226	S	31.9	Very low	30.4	Very low	114 Å²	114	153.7 Å²	153.7	80%	0.797	82%	0.815	S	S	*	*			trans	-145.7	94	167.5	64.1	0	0	0	0	111.8
4227	T	25.2	Very low	30.2	Very low	141 Å²	141	149.4 Å²	149.4	87%	0.865	81%	0.811	S	S	*	*			trans	-69.1	128.5	166.2	47.3	0	0	0	0	110.5
4228	C	30	Very low	30.1	Very low	127 Å²	127	152.2 Å²	152.2	86%	0.858	81%	0.811	S	S	*	*			trans	-151.4	135	155.7	-117.5	0	0	0	0	111.6
4229	Q	30.6	Very low	30	Very low	182 Å²	182	154.5 Å²	154.5	85%	0.85	81%	0.813	S	S	*	*			trans	-61.7	155.1	-168	-66.2	133.6	-40.7	0	0	115.6
4230	V	24.4	Very low	29.8	Very low	127 Å²	127	155.8 Å²	155.8	77%	0.77	82%	0.82	S	S	*	*			trans	-73.4	133.6	162.1	176.7	0	0	0	0	109.8
4231	I	31.4	Very low	29.7	Very low	158 Å²	158	157.6 Å²	157.6	81%	0.81	82%	0.819	S	S	*	*			trans	-138.4	133.6	152.7	-63.6	-174.5	0	0	0	107.5
4232	D	27.1	Very low	29.4	Very low	128 Å²	128	157.7 Å²	157.7	68%	0.684	83%	0.825	S	S	*	*			trans	-70.9	143.8	178	-60.7	-80.1	0	0	0	113.2
4233	H	32.1	Very low	29	Very low	168 Å²	168	157.5 Å²	157.5	78%	0.778	82%	0.824	S	S	*	*			trans	-168.6	106.3	135.9	-94	-66.1	0	0	0	106.8
4234	I	29.7	Very low	29	Very low	128 Å²	128	157.2 Å²	157.2	66%	0.656	83%	0.83	S	S	*	*				72.5	104.9	85	-72	178.6	0	0	0	112.1
4235	Y	29.6	Very low	28.8	Very low	220 Å²	220	156.6 Å²	156.6	86%	0.863	83%	0.827	S	S	*	*			trans	65.3	110.7	157.7	-73.6	-124.6	0	0	0	118.4
4236	H	27.7	Very low	29.1	Very low	252 Å²	252	158.6 Å²	158.6	100%	1.167	83%	0.827	S	S	*	*				-147.8	0	106.7	-143.1	-45.4	0	0	0	111.9

Retrieved 4,236 of 4,236 residues in 4609.8 ms (Link to these results)

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