A0A5K4ENT8_SCHMA Loading...

adenylate cyclase AlphaSync Fragmented

AlphaFold DB , UniProt , Accession A0A5K4ENT8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 4,235 aa.

						>A0A5K4ENT8_SCHMA|A0A5K4ENT8
MPDVQIKTNEPQYENWLVVHSKKEKYPTESPLLDVELPHGLQLSARRGPEVELYDVAGVHLLCPPDIISNNQNSKHVWYGLHWFKSFFNPKHRKTSDDSPVVLSNKSADIKSSSFNDFNSSHLPTKAPPCISSNHNRKTQIHNDLSLSTQHAICQKQSCISTLKDKLLNDWLCLNAANNYCLPPNVYEYYKNYFILKYRQAEINLFISLNLVVCIFLVVSMMTYSNYNTLPPTADSSSIIQHSYAVSSLHLTHVNLIRLTLLISSTVLLLISVLFANLPCISKSSHSIQHIMSNKSSGKASKPLYSKNNSIDTDDQTDSHNSNTQESVDLIVAQKLRRNLRWSHGLSYIACILFILANLPWSKLCQTLSKVHTTPLVVQQFNCSSSHVVYSNDTSNSFIMDQITIVHQNNLFDLENTNHLIDNLWLLIFSIILILGFFDVDSIWSKYWRYGLTIIMSILYFVLFNVNYGLTHFETVIKKSNFINNTDTGTNYIIFVNSSLCPQWIQKATLIQPILWWTDHRGILWRTNLATLCAILCAHLIGQLVAVWTSRHRYRLFLIASYTQAIIFRLHMTESKLHRLSKCLVPAPLADDLVNDFINGHLSWSSPLVIYLRNVTFLSAELVGLSNLSSNLASTFKSNTNINHELICQQFISFINDIYTCFDYLAQNESCYRVRLNANEYLCIAGYPETRVDHARSCIDLGLNMLKIIGEISELSHVQLELRVSVHTGTAYAIVLGRSRLGFDLIGDDVTYVSRLKYAAYRPCRVLTSRSTFNQLPEGFRGEAGPIFGYPNPIIIPTNESIKSNHHNKKTMETYFVQPRTESSNIVDTLNPIDLNGLQSSLSSSTADWSTLTNLDLNSTGTVITRLASVASILCRHVMNKNNSLLDGIDKNNSNTRIHNGRHNILLELPLSFLFHSTLDHHHYQYKQKRQLLHQKHHDEDEESKAIKVNILRILSNKEFDLLDYSDYKHYEPIVTATTTSNMTTTNDQYNSHPLESNSFRHHHHHHQDHDDVRPQLNSEPSSTSELLAMIAVNLAKSLDGDQCNYDVENDNDIANCSNKFVPCQKRAGKLRRNCPSIVMDPPTNTDVNGGYLNLTVGITNSMGTSFATTTATTAPLHPYSSVEANDAIMNDIYNKNSDYHELNLLHNLKPMINKSFLLNTTPSNENQPCWLTLKQSKHHQSSLSSSSSNHSFSSTPLTTVKKYNLIMDCFKRNLHKVSYTSLSLHNTNINTTISNHVTNSMMNDTNNIEDTKLNDPNIMDNNEEHKFCRGNNDNVTGLLNLFCFNCTKQRCQLESGKSVNDKFNVNDSMKNQSSLVDILYFSTIIYIPFLILFGFIHLLVMPRSLLLFVASSFATAYITLQLAILGAFKRFTRFNLLCCTSPTICALFLWLTVIVATVTTSLNMFLCSPINEVNYISEPYSYKDFVNIPYEQYQFHSFNNNLSISSLLINYNFKGNIFLQSSPQSWTSSPSSSSSLLYNMFTNSPMNTITNTSSISSHSNQNHNFNRGYGYHSFFNDHFIIIGCLSMLISTIFTSSALYRINTKKEKLTNLNHNEYMISYDMGIKYMIITPQLTRFLIGTMIFILHIIIILWTVHYNGLFYILQWNYEKHDSNHLFQGTSIQQKLFIPNFVQSLFAQFSFLLLAILLPRSLEYQCRLMHQWKMKSQSTLEKLSLTSSALARLLVSIVPRFVIAKISCPERAIEIYSKSHQNIGLVLINFIVIPSKPLVTQQQKQTSDSSYNSTASATMNNSESKSKTQVNNEEPTEIADRVRLLNRVIHLVDSLALGQQKQTGATLDVPGENTMNERESDNSNTLNKNAKDNEKLFSSLLSSSSSSTPSQTVSSKLNLIKVYAGGTMVGYATGLGTHEESDCQNHHSLKASQTTVNQWSCLIKFIERVIVICDQINQKTKSSSPSSSSCSRQIYVQAALHSGSCIFGFVSSQHPVFTLWGEPLETCRQLLSKHQLNHLGSQHFILATDKLISLIPSNLLDASSTANLHLNANQKTTVENSNLLNQYLFTWCTIDPSNGKIILSTQLQRSAPLVKMPNGRPPFIDRLLHFCTVRSNVTMNTTTAPATETATNTSISSKLPYVESTSESNKQVCSLFNTYDQPVSMISNNAVTNGLILSQASAGVSSQKQNHACDPIKFNQLPTDHHSHHNISRLPTNNNSNDNNILRTTISIVPDQIALNSGNTVPFNPIQDDLPKVLIPTTATIGVQQRLANVIEQTNHRRKSQLIAGANVVVNTPTSQFSNSISSPPPPPPPHQRTYPSNNSNNNMSTELSTHLNTPTSCIMTQSTTVTGTVNMQHINNNERKHNPAPYLLKNSQQKCGIPPSNITYKPCEINRDHKLQTLSPQLEHLSKKNQIHSTTISTTNNNNNNLNAPNPSLLKPVRPSSYWPVPDELLLSSDQIQTNHQNINNSCNNKEKSNRPISAGITKNFDGIILNILNKPLPEQSLSSSSSKNIGSDGQHQHHRPISLSSTDSFLAAERACAYATDGDEDTTTNTTYDTATTTTTTTYNTTMSMNNKNSQNTTCPISNICNSQSIYDWDHVQNAINQLSSIQNNDHNNHDKNISSNKNFYTFNGIDDEDDDDDEVDVRRHAKVNENGTSHHNPLYTDNEYESMAESQSNLSDVVNNSGIIKNANRNSRPGLFATSSQIDPRDRFVYQTPITQQQSLDTNQTKGNPNSDMDISKKLIKDSRLFSVIDPSSTNIIHNFVETNGQLINTNGIHLHSDSHPMQKNILDFPDYQRPSSPGYTHEKQQSTYPTEIGKSDHSVKQHQIISTRNVNHYHSSSPVSGSSSTGHSLASGSRKSDQHHSYCNNGMMMIVKTNVNDSKQSSNSSRSNSQGLQSQSNRLTMIETTSRCVDHIIIPNISDTRRVQINNQCLIDEPMERYDTPYIPHEHIKLNSSSCREPSECPDAEYVGTASLEPLSMAVLTSMTEDGLTSCDGEELTEDDDANDGLESMTDSNVLLQHQDIIENLQHLNNHSSNWLLSSRSGHLVNGNSNNHRVSHSVSTDDVDTNYNVESLDHHLHHQMTDSLLANPDLDARDSELGEDFDYTTPEQIESMHCHPTNNSNGENLNQNNSSSKSNRQMNMNYLIPSNNNLLTNQNFMKHNNTTYNGNLNKNNNNNISSSSNMIRINDNHMLLEAALLSTSTTPSSQFGAAVDSSSNDNYSVNHNHGKQLINNSSSNIDLDDLTSEELFAYHGQIGQKLNNTSVNTNNNEPSYLYNIHQFKTQFTQNDELNNNSHHSQRITSSERDKSTKNISRPSLPEIAPVSLPDFSSHPHPIQMALNRMPWYSSSPSGSRDDKVISTRPFVLPSTVISSIITNKNQHQLIDRMDLSSDYDNLYPNSFQSPNNKYYPDCNLQASNRINNNNKHSSTLQRTTANEITATSSNTSSTAAVVGRPALRKLAKVSRSRTNCPLITPGEESDTMSGYIGDAASSVYDTDDDDDEGDNDDDDDDGGIKNKNTKKITSINVGIPHEVETNRNNKDSSTINHMQLNTPVSMDRNCRLTTTIVTRQCQQSVNNNYANLLQIDERNCLHSVNNNEHASKSTHFSTADIDSSSYSLTVNNSHTSVATGNFHNNNNNLLSVVHTKNSTVNKIDPIYNRSNNDESITDKNHVNFSKNQSNTTSDSNSHDQLNCTIIMEQDFNQHQQSAVANLHRTVSIADSHTSGGRSEYDNVDKSGFQTENNSLLRTSYDYHDQLELTNYSLNYNVTTNEHLISASPSSSPPPPISNLSTTVIEKLNSSLSYTQSMKSLSNKINDTNNGHSRQGNNNTKSSRIPLSFTQQKSLQNHSLFDAQIAAEARQISRQLRVMGWIPVDGEQFTTDANTSENSDRLNDTNEANLLPTSGLHRTHLFLLPESSQINRACSRQPSLRTCRLRYNGTGVGGFGSGIGSETVTTVTSQLDEDDDDERAFDMNNGEYDIDLFHENGINNNGSYNINNESGQFSTRSGFHGDEYIVDGEVPWQYDVEKWTHQNFGHSQLGCLLVRPRSLSATCLNIISSAINNAGFDAPHNDNGDDEELKIQNGCWKFDNANDDEHGLGCNSMEILKAENSVQEINEHSSPRLKRLKKRTEHVRNLLPVNLHRFILPGCISSLSRSSSIGTSSHYTTISDMLFLSLSRKTSYRRHRYQHHHHHHHNHSDQQQYYHHEHDFYVSDVNDDDQSIHRNDQIKQPRMPNSVQDYKYQQKNQKYLLKYSIDNRKWASDPELQLTSTCQVIDHIYH
					

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	29.4	Very low	28.1	Very low	243 Å²	243	155.7 Å²	155.7	100%	1.197	83%	0.825	S	S	*	*				0	157.1	0	-89.6	178.5	165.4	0	0	108.6
2	P	29.7	Very low	28.3	Very low	104 Å²	104	156.9 Å²	156.9	68%	0.675	82%	0.823	S	S	*	*			trans	-95.5	161	-136.6	35	-37.7	0	0	0	116.3
3	D	25.1	Very low	28.2	Very low	155 Å²	155	158.6 Å²	158.6	83%	0.829	81%	0.813	S	S	*	*			trans	39.7	119.7	142.7	-50.6	-25.8	0	0	0	120.8
4	V	30.8	Very low	28.3	Very low	132 Å²	132	158.1 Å²	158.1	80%	0.8	81%	0.806	S	S	*	*				-155.6	140.8	109.6	142.1	0	0	0	0	108.8	I6	V4-I6 HydrophobicContact CG1-CG1 4.36Å
5	Q	26	Very low	28.3	Very low	175 Å²	175	157.2 Å²	157.2	82%	0.818	80%	0.804	S	S	*	*			trans	-97.5	134	175.2	-61.4	179.2	6.3	0	0	111
6	I	30.2	Very low	28.2	Very low	162 Å²	162	162.8 Å²	162.8	83%	0.831	81%	0.812	S	S	*	*			trans	-134	134.3	157	-58.7	-177.3	0	0	0	108.4	V4	V4-I6 HydrophobicContact CG1-CG1 4.36Å
7	K	25.7	Very low	28.1	Very low	171 Å²	171	161.9 Å²	161.9	74%	0.743	81%	0.809	S	S	*	*			trans	-105.6	145	-179.7	-62.4	172.1	178.5	174.3	0	110.5
8	T	28	Very low	28.2	Very low	125 Å²	125	158.9 Å²	158.9	77%	0.767	80%	0.801	S	S	*	*			trans	-167.1	111.5	133	10	0	0	0	0	113.1
9	N	25.9	Very low	28.3	Very low	151 Å²	151	156.8 Å²	156.8	81%	0.807	80%	0.797	S	S	*	*			trans	53.5	71.5	136.8	-54.4	0.4	0	0	0	120.7
10	E	26.6	Very low	28.3	Very low	168 Å²	168	157.8 Å²	157.8	79%	0.785	80%	0.798	S	S	*	*			trans	-120	129.8	139.9	-72.8	-173	156.2	0	0	108.7	Q12	E10-Q12 PolarHBondContact O-N 3.38Å
11	P	32.5	Very low	28.2	Very low	127 Å²	127	154.6 Å²	154.6	83%	0.825	79%	0.79	S	S	*	*			trans	-78.9	90.4	179	31.1	-33.2	0	0	0	110.8
12	Q	29.5	Very low	28.3	Very low	170 Å²	170	153.2 Å²	153.2	79%	0.794	78%	0.778	S	S	*	*			trans	-66.1	146.8	174.7	-68	-176.2	-20.7	0	0	112	E10 E14	E10-Q12 PolarHBondContact O-N 3.38Å; Q12-E14 PolarHBondContact O-N 3.01Å
13	Y	26.9	Very low	28.2	Very low	179 Å²	179	157.1 Å²	157.1	70%	0.702	78%	0.784	S	S	*	*			trans	-83.9	103.4	179.7	-94.3	-70.8	0	0	0	112	R46	Y13-R46 VanDerWaalsContact CE1-NH2 3.3Å; Y13-R46 VanDerWaalsContact CZ-CZ 3.43Å; Y13-R46 VanDerWaalsContact CZ-NH2 3.33Å; Y13-R46 PolarHBondContact OH-NH1 3.45Å; Y13-R46 PolarHBondContact OH-NH2 3.29Å; Y13-R46 VanDerWaalsContact OH-NH2 3.16Å
14	E	29.7	Very low	28.4	Very low	152 Å²	152	158.5 Å²	158.5	71%	0.71	79%	0.785	S	S	*	*			trans	-113.8	115.5	167.3	-69.7	-156.8	122.8	0	0	113	Q12	Q12-E14 PolarHBondContact O-N 3.01Å
15	N	29	Very low	28.3	Very low	144 Å²	144	160.2 Å²	160.2	77%	0.77	78%	0.782	S	S	*	*			trans	42.9	82.6	134.7	-59.4	-30.1	0	0	0	119.4
16	W	25.9	Very low	28.4	Very low	246 Å²	246	162 Å²	162	93%	0.932	78%	0.783	S	S	*	*			trans	-123.2	74.2	151.5	-77.9	75	0	0	0	110.5
17	L	27.9	Very low	28.4	Very low	148 Å²	148	158.9 Å²	158.9	78%	0.775	77%	0.773	S	S	*	*			trans	-135.6	64.3	173	-131.5	172.8	0	0	0	110.2	V19	L17-V19 HydrophobicContact CD2-CG2 3.87Å; L17-V19 PolarHBondContact O-N 3.21Å
18	V	28.8	Very low	28.5	Very low	109 Å²	109	156.8 Å²	156.8	66%	0.661	78%	0.775	S	S	*	*			trans	-72.7	93.8	175.7	-179.8	0	0	0	0	109.1	H20	V18-H20 PolarHBondContact O-N 3.2Å
19	V	30	Very low	28.7	Very low	119 Å²	119	158.7 Å²	158.7	72%	0.721	78%	0.775	S	S	*	*			trans	-74.1	95.1	175.5	-178.8	0	0	0	0	109.5	L17 S21	L17-V19 HydrophobicContact CD2-CG2 3.87Å; L17-V19 PolarHBondContact O-N 3.21Å; V19-S21 PolarHBondContact O-N 3.46Å
20	H	29.2	Very low	28.9	Very low	175 Å²	175	156.7 Å²	156.7	81%	0.81	77%	0.773	S	S	*	*			trans	-72.3	87.5	173.4	-91.5	-62.2	0	0	0	111.7	V18 K22	V18-H20 PolarHBondContact O-N 3.2Å; H20-K22 PolarHBondContact O-N 2.81Å
21	S	26.7	Very low	29.2	Very low	92 Å²	92	153.5 Å²	153.5	64%	0.643	77%	0.767	S	S	*	*			trans	-67.2	121.4	170.5	65.5	0	0	0	0	111.4	V19	V19-S21 PolarHBondContact O-N 3.46Å
22	K	31.2	Very low	29.1	Very low	214 Å²	214	154 Å²	154	93%	0.93	76%	0.762	S	S	*	*			trans	-116.1	141.4	155.2	-91.4	-173.4	173	-179.5	0	109.7	H20	H20-K22 PolarHBondContact O-N 2.81Å
23	K	26.4	Very low	29.2	Very low	186 Å²	186	152.6 Å²	152.6	81%	0.809	76%	0.759	S	S	*	*			trans	-110.7	133.1	-164.3	-60.4	170.6	178.4	174.9	0	111.1
24	E	30.7	Very low	29.3	Very low	184 Å²	184	150 Å²	150	86%	0.86	76%	0.757	S	S	*	*			trans	-160	103.9	150.8	-104.8	149.1	-141.7	0	0	105.5
25	K	27	Very low	29.4	Very low	168 Å²	168	149.1 Å²	149.1	73%	0.73	76%	0.762	S	S	*	*				51.7	118.7	88.3	-65.3	-172.5	176	-175.5	0	111.1
26	Y	28.4	Very low	29.4	Very low	211 Å²	211	151.1 Å²	151.1	83%	0.827	77%	0.767	S	S	*	*			cis	-140.4	169.5	40.2	-81.2	-90.1	0	0	0	114.5
27	P	29.7	Very low	29.9	Very low	98 Å²	98	147 Å²	147	64%	0.636	76%	0.762	S	S	*	*			trans	-110.6	162.8	-165.6	41.2	-34.1	0	0	0	116.2
28	T	29.3	Very low	30.1	Very low	127 Å²	127	145.8 Å²	145.8	78%	0.779	76%	0.763	S	S	*	*			trans	155.6	144.6	145.2	36.5	0	0	0	0	109.9
29	E	31.1	Very low	30	Very low	165 Å²	165	150.2 Å²	150.2	77%	0.771	78%	0.776	S	S	*	*			cis	-167.2	137.2	-33.4	-124.8	168.4	-152.5	0	0	107.6
30	S	29.9	Very low	30	Very low	109 Å²	109	147.9 Å²	147.9	76%	0.762	78%	0.776	S	S	*	*			trans	25.5	160	153.2	-9.3	0	0	0	0	123.7
31	P	34.4	Very low	30.1	Very low	100 Å²	100	147.8 Å²	147.8	65%	0.649	78%	0.781	S	S	*	*			cis	-129.4	170.3	9.9	40.5	-23.9	0	0	0	116.8
32	L	28.9	Very low	30.1	Very low	139 Å²	139	152.4 Å²	152.4	73%	0.728	79%	0.792	S	S	*	*			trans	-99.6	169.6	173.6	-145.8	79.2	0	0	0	110.5	D34	L32-D34 WeakPolarHBondContact CD2-OD1 3.47Å
33	L	32.5	Very low	30.1	Very low	140 Å²	140	149.2 Å²	149.2	73%	0.733	78%	0.784	S	S	*	*			trans	-145.5	126.7	151.3	-165.5	74	0	0	0	109.2
34	D	28	Very low	30.3	Very low	125 Å²	125	145.8 Å²	145.8	67%	0.668	78%	0.784	S	S	*	*			trans	-83.7	152.5	-172	-59.8	-82.1	0	0	0	113.8	L32	L32-D34 WeakPolarHBondContact CD2-OD1 3.47Å
35	V	33.1	Very low	30.3	Very low	132 Å²	132	141.5 Å²	141.5	80%	0.8	78%	0.78	S	S	*	*			trans	-137.3	121.9	160	179.8	0	0	0	0	107.9
36	E	29.1	Very low	30.7	Very low	187 Å²	187	142.9 Å²	142.9	87%	0.874	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-74.4	138	-177	-58.9	175.3	122.4	0	0	111.8
37	L	36.2	Very low	31.1	Very low	159 Å²	159	145 Å²	145	83%	0.832	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-99.9	134.1	161.7	-86.5	84	0	0	0	109.8
38	P	31.5	Very low	31.1	Very low	122 Å²	122	143.7 Å²	143.7	79%	0.792	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-72.9	142	-172.7	28.6	-35.3	0	0	0	113.1	G40	P38-G40 PolarHBondContact O-N 2.89Å
39	H	27	Very low	31.3	Very low	202 Å²	202	143.2 Å²	143.2	94%	0.935	79%	0.791	S	S	*	*	S	Bend	trans	-57.8	125.1	176.7	-57.2	-83.4	0	0	0	112.1
40	G	30	Very low	31.1	Very low	71 Å²	71	144.2 Å²	144.2	73%	0.732	80%	0.795	S	S	*	*			trans	-174.7	-9.2	179	0	0	0	0	0	120	P38	P38-G40 PolarHBondContact O-N 2.89Å
41	L	30.5	Very low	31.2	Very low	172 Å²	172	145.6 Å²	145.6	90%	0.901	80%	0.799	S	S	*	*			trans	-152.2	95.3	-178.4	-110.3	148.3	0	0	0	112.9
42	Q	27.8	Very low	31	Very low	190 Å²	190	147.4 Å²	147.4	89%	0.888	80%	0.799	S	S	*	*			trans	-100.2	134.2	158.3	-72.1	-178.8	-20.5	0	0	108.5
43	L	31.6	Very low	31.1	Very low	146 Å²	146	148.1 Å²	148.1	76%	0.764	80%	0.803	S	S	*	*			trans	-158.5	142.4	151.8	-112.5	164	0	0	0	111.1	M1152	L43-M1152 HydrophobicContact CD1-CE 4.44Å
44	S	30.1	Very low	31.3	Very low	114 Å²	114	150.6 Å²	150.6	80%	0.797	80%	0.804	S	S	*	*			trans	-72.8	152.3	-162.2	52	0	0	0	0	116.2
45	A	29.9	Very low	31.4	Very low	95 Å²	95	151.3 Å²	151.3	79%	0.785	81%	0.807	S	S	*	*			trans	-98.1	151.5	177.5	0	0	0	0	0	114.5
46	R	36	Very low	31.5	Very low	196 Å²	196	150.6 Å²	150.6	74%	0.74	80%	0.803	S	S	*	*			trans	-158.3	148.2	150.1	-113.3	160.9	179.7	-92.6	-9.5	112.6	Y13	Y13-R46 VanDerWaalsContact CE1-NH2 3.3Å; Y13-R46 VanDerWaalsContact CZ-CZ 3.43Å; Y13-R46 VanDerWaalsContact CZ-NH2 3.33Å; Y13-R46 PolarHBondContact OH-NH1 3.45Å; Y13-R46 PolarHBondContact OH-NH2 3.29Å; Y13-R46 VanDerWaalsContact OH-NH2 3.16Å
47	R	36.3	Very low	31.5	Very low	256 Å²	256	146.4 Å²	146.4	97%	0.966	80%	0.801	S	S	*	*			trans	-72	166.7	-166.3	-60.1	165	178.6	155.3	-2.4	113.1
48	G	29.9	Very low	31.1	Very low	71 Å²	71	142 Å²	142	73%	0.732	79%	0.794	S	S	*	*			cis	168.9	-166.1	2.4	0	0	0	0	0	108.7
49	P	33	Very low	31	Very low	117 Å²	117	142 Å²	142	76%	0.76	79%	0.791	S	S	*	*			cis	-122.6	-176	-7.3	42.6	-28	0	0	0	114.3
50	E	26.7	Very low	31.1	Very low	185 Å²	185	140.3 Å²	140.3	86%	0.864	78%	0.783	S	S	*	*			trans	55.2	64.4	155.2	-73.1	173.3	-136.5	0	0	120.7
51	V	33.1	Very low	31	Very low	139 Å²	139	144.4 Å²	144.4	84%	0.842	79%	0.788	S	S	*	*			trans	-136	124.5	135.6	-179	0	0	0	0	107.9	L53	V51-L53 PolarHBondContact O-N 3.41Å; V51-L53 VanDerWaalsContact O-N 3.16Å
52	E	30.1	Very low	30.8	Very low	137 Å²	137	144.5 Å²	144.5	64%	0.64	79%	0.788	S	S	*	*			trans	-73.8	102.5	176	-70.1	-175	162.3	0	0	110.5	Y54 Y965	E52-Y54 PolarHBondContact O-N 3.29Å; E52-Y965 PolarHBondContact OE1-OH 3.04Å
53	L	31	Very low	30.8	Very low	154 Å²	154	141.4 Å²	141.4	81%	0.806	79%	0.786	S	S	*	*			trans	-80.4	99.4	169.3	-166.3	77.7	0	0	0	108.9	V51 D55	V51-L53 PolarHBondContact O-N 3.41Å; V51-L53 VanDerWaalsContact O-N 3.16Å; L53-D55 PolarHBondContact O-N 2.71Å
54	Y	35.7	Very low	30.8	Very low	193 Å²	193	140.1 Å²	140.1	76%	0.757	79%	0.786	S	S	*	*			trans	-69.2	117.7	165.5	-97.5	-98.3	0	0	0	109.3	E52 V56	E52-Y54 PolarHBondContact O-N 3.29Å; Y54-V56 PolarHBondContact O-N 2.99Å; Y54-V56 VanDerWaalsContact O-N 3.17Å
55	D	31.4	Very low	30.7	Very low	139 Å²	139	140.1 Å²	140.1	74%	0.743	78%	0.783	S	S	*	*			trans	-60.1	116.6	173.8	-85.6	-44.9	0	0	0	110.5	L53 A57	L53-D55 PolarHBondContact O-N 2.71Å; D55-A57 HydrophobicContact CB-CB 4.49Å; D55-A57 PolarHBondContact O-N 3.29Å
56	V	34.5	Very low	30.4	Very low	117 Å²	117	142.4 Å²	142.4	71%	0.709	78%	0.783	S	S	*	*			trans	-79.7	51	173	-168.7	0	0	0	0	110	Y54 G58	Y54-V56 PolarHBondContact O-N 2.99Å; Y54-V56 VanDerWaalsContact O-N 3.17Å; V56-G58 PolarHBondContact O-N 3.25Å
57	A	28.8	Very low	30.1	Very low	100 Å²	100	141.4 Å²	141.4	83%	0.826	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	57.1	171.5	0	0	0	0	0	110.6	D55	D55-A57 HydrophobicContact CB-CB 4.49Å; D55-A57 PolarHBondContact O-N 3.29Å
58	G	27.9	Very low	29.6	Very low	67 Å²	67	136 Å²	136	69%	0.691	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.9	-10.5	-169.2	0	0	0	0	0	117.2	V56	V56-G58 PolarHBondContact O-N 3.25Å
59	V	30.4	Very low	29.4	Very low	120 Å²	120	137.1 Å²	137.1	73%	0.727	78%	0.775	S	S	*	*			trans	-138.7	52	178.9	-159.3	0	0	0	0	111.9
60	H	28	Very low	29.1	Very low	167 Å²	167	138.9 Å²	138.9	77%	0.773	78%	0.779	S	S	*	*			trans	-122.5	43.5	174.5	-102.1	-62	0	0	0	113.3
61	L	27.9	Very low	29	Very low	158 Å²	158	136.6 Å²	136.6	83%	0.827	77%	0.772	S	S	*	*	S	Bend	trans	-135.9	140	158.3	-74	173.8	0	0	0	107.8
62	L	26.8	Very low	28.8	Very low	174 Å²	174	138.4 Å²	138.4	91%	0.911	77%	0.771	S	S	*	*			trans	81.3	59.3	178.8	-51.2	174.2	0	0	0	118.1
63	C	28.6	Very low	28.7	Very low	125 Å²	125	138.2 Å²	138.2	85%	0.845	78%	0.775	S	S	*	*			trans	-122.1	166.5	133.4	-76.6	0	0	0	0	107.3
64	P	29.8	Very low	28.4	Very low	118 Å²	118	135.8 Å²	135.8	77%	0.766	77%	0.771	S	S	*	*			cis	-122	-154.4	-0.2	46.3	-31.4	0	0	0	109.9
65	P	28.3	Very low	28	Very low	114 Å²	114	136.7 Å²	136.7	74%	0.74	78%	0.779	S	S	*	*			cis	-126.9	177.5	-12.9	41.7	-26.2	0	0	0	114.8
66	D	25.2	Very low	27.8	Very low	144 Å²	144	137.8 Å²	137.8	77%	0.77	78%	0.779	S	S	*	*			trans	-77.4	145.7	-178.9	-40.4	-93.8	0	0	0	114.1
67	I	27.9	Very low	27.5	Very low	175 Å²	175	138.9 Å²	138.9	90%	0.897	79%	0.786	S	S	*	*			trans	-136.8	129	140	-63.3	-172.5	0	0	0	108.7
68	I	26.7	Very low	27.2	Very low	142 Å²	142	143.8 Å²	143.8	73%	0.728	78%	0.783	S	S	*	*			trans	-83.5	136.8	-175.7	-68.3	163.6	0	0	0	111.3
69	S	25.4	Very low	27.2	Very low	94 Å²	94	150.6 Å²	150.6	66%	0.657	79%	0.789	S	S	*	*			trans	44.7	134.7	160	79.1	0	0	0	0	120.4
70	N	26.9	Very low	27.1	Very low	155 Å²	155	147.8 Å²	147.8	83%	0.829	79%	0.785	S	S	*	*				-153.4	151.2	109.1	-121.3	-57.3	0	0	0	113.5
71	N	25.7	Very low	27	Very low	137 Å²	137	148.3 Å²	148.3	73%	0.733	79%	0.793	S	S	*	*			trans	-112.6	121.9	-172	-174	3.5	0	0	0	109.5
72	Q	28.9	Very low	27	Very low	176 Å²	176	147.7 Å²	147.7	82%	0.822	79%	0.785	S	S	*	*			trans	-158.9	100	166.4	-121.4	162.9	90.5	0	0	116
73	N	26.8	Very low	27	Very low	134 Å²	134	150.7 Å²	150.7	72%	0.717	78%	0.784	S	S	*	*				38.1	101	128.5	-67.5	-24	0	0	0	120.2
74	S	25.5	Very low	26.8	Very low	103 Å²	103	153.5 Å²	153.5	72%	0.72	78%	0.783	S	S	*	*				47.2	123.1	121.5	65.3	0	0	0	0	121
75	K	27.5	Very low	26.6	Very low	212 Å²	212	156.2 Å²	156.2	92%	0.922	78%	0.782	S	S	*	*				-155.1	140.4	124.1	-107.8	147.6	-171.4	171.5	0	112
76	H	25.5	Very low	26.7	Very low	161 Å²	161	156.4 Å²	156.4	75%	0.745	79%	0.786	S	S	*	*			trans	-71.2	135.4	171.7	-77.8	-74.3	0	0	0	111
77	V	29.1	Very low	26.7	Very low	141 Å²	141	158.8 Å²	158.8	86%	0.855	79%	0.79	S	S	*	*			trans	-129.7	146.1	141.6	-174.5	0	0	0	0	107.4
78	W	22.8	Very low	26.8	Very low	203 Å²	203	159.5 Å²	159.5	77%	0.769	79%	0.787	S	S	*	*			trans	-107.5	-163.8	-176.2	-152.8	36.4	0	0	0	110.2
79	Y	27.9	Very low	26.8	Very low	209 Å²	209	160.3 Å²	160.3	82%	0.82	79%	0.793	S	S	*	*			trans	68.3	155.1	-174.4	-47.9	-81.7	0	0	0	114
80	G	28.6	Very low	27	Very low	62 Å²	62	161.3 Å²	161.3	64%	0.639	80%	0.797	S	S	*	*			cis	165.6	153.8	-5.5	0	0	0	0	0	111	H82	G80-H82 PolarHBondContact O-N 3.45Å
81	L	25.7	Very low	27	Very low	178 Å²	178	163.4 Å²	163.4	93%	0.932	80%	0.799	S	S	*	*			trans	-37	113.1	-177.3	-82.9	57.3	0	0	0	115.2
82	H	27.6	Very low	27.1	Very low	144 Å²	144	165 Å²	165	67%	0.667	80%	0.802	S	S	*	*			trans	-157.3	53.4	158.8	-144.5	-117.1	0	0	0	116	G80 F84 K85	G80-H82 PolarHBondContact O-N 3.45Å; H82-F84 VanDerWaalsContact C-N 3.33Å; H82-F84 PolarHBondContact O-N 3.46Å; H82-K85 WeakPolarHBondContact CE1-CB 3.34Å
83	W	25.9	Very low	27	Very low	238 Å²	238	168 Å²	168	90%	0.902	81%	0.805	S	S	*	*	S	Bend	trans	-85	15	-176.2	-161.1	57	0	0	0	115.7
84	F	24.7	Very low	26.8	Very low	184 Å²	184	170.6 Å²	170.6	81%	0.807	81%	0.81	S	S	*	*	S	Bend	trans	-147.7	33.7	-163.2	-115	-75	0	0	0	117.7	H82	H82-F84 VanDerWaalsContact C-N 3.33Å; H82-F84 PolarHBondContact O-N 3.46Å
85	K	26.8	Very low	27.1	Very low	174 Å²	174	171.8 Å²	171.8	76%	0.757	81%	0.813	S	S	*	*	S	Bend	trans	-146.9	18.2	-173.2	-128.8	176.3	-175.6	178.6	0	120.3	H82	H82-K85 WeakPolarHBondContact CE1-CB 3.34Å
86	S	30.8	Very low	27.2	Very low	118 Å²	118	166.3 Å²	166.3	83%	0.825	80%	0.802	S	S	*	*			trans	-129.1	25.2	179.3	-164.1	0	0	0	0	114.9	F88	S86-F88 VanDerWaalsContact C-N 3.28Å; S86-F88 PolarHBondContact O-N 3.02Å
87	F	25.1	Very low	27.4	Very low	195 Å²	195	165.4 Å²	165.4	86%	0.855	80%	0.803	S	S	*	*			trans	-82.3	6.3	-176.5	-126.3	-80.1	0	0	0	114.8
88	F	28.7	Very low	27.4	Very low	189 Å²	189	166.5 Å²	166.5	83%	0.829	80%	0.804	S	S	*	*	S	Bend	trans	-138.1	137.7	-175.4	-78.9	-80.9	0	0	0	114.4	S86	S86-F88 VanDerWaalsContact C-N 3.28Å; S86-F88 PolarHBondContact O-N 3.02Å
89	N	27.6	Very low	27.6	Very low	159 Å²	159	161.2 Å²	161.2	85%	0.85	80%	0.798	S	S	*	*			trans	71.8	117.9	169.2	-75.7	-29.3	0	0	0	120.2
90	P	28.6	Very low	28	Very low	115 Å²	115	155.5 Å²	155.5	75%	0.747	79%	0.786	S	S	*	*			trans	-102	160.4	168.6	38.9	-33.3	0	0	0	113.5
91	K	28.2	Very low	28.1	Very low	199 Å²	199	159.3 Å²	159.3	87%	0.865	80%	0.797	S	S	*	*			trans	-173	121.5	151.2	-106.8	148	-174.4	177.6	0	116.6
92	H	26.4	Very low	28.2	Very low	171 Å²	171	156.2 Å²	156.2	79%	0.792	79%	0.785	S	S	*	*			trans	38.5	117.4	138	-72.1	-96.4	0	0	0	124.4
93	R	27.1	Very low	28.1	Very low	239 Å²	239	156.7 Å²	156.7	90%	0.902	79%	0.792	S	S	*	*				160.7	133.8	118.8	-87.9	169.7	172.9	175.7	-3.5	108.2
94	K	23.8	Very low	28.3	Very low	189 Å²	189	149.9 Å²	149.9	82%	0.822	78%	0.78	S	S	*	*			cis	97.3	142.9	33.9	-92.2	-152.4	169.2	-164.1	0	114.2
95	T	30.7	Very low	28.5	Very low	127 Å²	127	148.5 Å²	148.5	78%	0.779	78%	0.781	S	S	*	*			trans	63.4	142.9	178.2	56.5	0	0	0	0	116.1
96	S	29.6	Very low	28.6	Very low	98 Å²	98	150 Å²	150	69%	0.685	79%	0.788	S	S	*	*			cis	-174.9	168.4	-12.1	45.3	0	0	0	0	110.7
97	D	28.9	Very low	28.4	Very low	142 Å²	142	148.7 Å²	148.7	76%	0.759	78%	0.779	S	S	*	*			cis	-171.4	-163.6	-35.7	-80.5	-40.9	0	0	0	107.4
98	D	30.5	Very low	28.7	Very low	163 Å²	163	143.4 Å²	143.4	87%	0.872	77%	0.771	S	S	*	*			trans	75.3	155.2	168.2	-70.4	-22.2	0	0	0	123.8
99	S	26.9	Very low	28.6	Very low	93 Å²	93	141.2 Å²	141.2	65%	0.65	77%	0.768	S	S	*	*			trans	-149.8	-135	-155	48.2	0	0	0	0	117.4	Q150	S99-Q150 PolarHBondContact O-NE2 3.48Å
100	P	35.2	Very low	28.7	Very low	88 Å²	88	139.8 Å²	139.8	57%	0.571	76%	0.759	S	S	*	*				-122.1	161.6	-120.8	38.7	-20.5	0	0	0	118.5	Q150	P100-Q150 VanDerWaalsContact CA-OE1 3.24Å
101	V	30.4	Very low	28.5	Very low	143 Å²	143	143.1 Å²	143.1	87%	0.867	76%	0.762	S	S	*	*			trans	-152.8	174.5	163.8	108.3	0	0	0	0	113.4
102	V	27.9	Very low	28.3	Very low	113 Å²	113	138.7 Å²	138.7	69%	0.685	76%	0.756	S	S	*	*				-160.5	159.6	-121.2	146.8	0	0	0	0	115.5
103	L	26.9	Very low	28.5	Very low	154 Å²	154	136 Å²	136	81%	0.806	76%	0.757	S	S	*	*			trans	82.8	128	159.7	-89	165.7	0	0	0	124
104	S	30.1	Very low	28.5	Very low	94 Å²	94	129.2 Å²	129.2	66%	0.657	75%	0.746	S	S	*	*			trans	71.3	114.8	134.3	64.7	0	0	0	0	125.5
105	N	27.7	Very low	28.8	Very low	155 Å²	155	129 Å²	129	83%	0.829	75%	0.745	S	S	*	*			trans	16.4	127.3	131.3	-53.3	-5.9	0	0	0	120.9
106	K	29.1	Very low	28.6	Very low	206 Å²	206	128.7 Å²	128.7	90%	0.896	74%	0.739	S	S	*	*				-171	164.6	106.9	-111	-179.3	179.9	-178.9	0	116.3
107	S	27.5	Very low	28.6	Very low	91 Å²	91	130.7 Å²	130.7	64%	0.636	74%	0.742	S	S	*	*			trans	-60.8	150.1	-177.2	52.2	0	0	0	0	119.6
108	A	30.5	Very low	28.7	Very low	84 Å²	84	131.9 Å²	131.9	69%	0.694	74%	0.74	S	S	*	*			trans	86.3	143	132	0	0	0	0	0	123.2
109	D	27	Very low	28.5	Very low	142 Å²	142	130.9 Å²	130.9	76%	0.759	74%	0.735	S	S	*	*			trans	87.9	123.7	138.3	-76.9	1.9	0	0	0	125.5
110	I	30.1	Very low	28.5	Very low	130 Å²	130	130.9 Å²	130.9	67%	0.667	74%	0.735	S	S	*	*			trans	88.3	107.7	133	-69.9	169.8	0	0	0	121.2
111	K	23.7	Very low	28.1	Very low	185 Å²	185	131.5 Å²	131.5	80%	0.804	74%	0.741	S	S	*	*			trans	45.1	128.7	138.5	-53.2	174.5	-170.7	171.6	0	120.8
112	S	24.8	Very low	28.2	Very low	106 Å²	106	132.8 Å²	132.8	74%	0.741	74%	0.737	S	S	*	*				156.3	154.2	92.4	57.2	0	0	0	0	114.6
113	S	29.5	Very low	28.2	Very low	115 Å²	115	135.4 Å²	135.4	80%	0.804	75%	0.747	S	S	*	*			trans	62.8	157.7	173.4	78.4	0	0	0	0	116
114	S	28.4	Very low	28.4	Very low	96 Å²	96	133.3 Å²	133.3	67%	0.671	74%	0.743	S	S	*	*			cis	-162.3	157.5	-26	48.2	0	0	0	0	105.7
115	F	28.8	Very low	28.2	Very low	184 Å²	184	135.3 Å²	135.3	81%	0.807	75%	0.751	S	S	*	*			cis	-156.9	-179.2	44.4	-125.5	-88.2	0	0	0	111.2
116	N	26.9	Very low	28.1	Very low	121 Å²	121	137.2 Å²	137.2	65%	0.647	75%	0.752	S	S	*	*			trans	-59.2	163	-179.2	-43.8	-25.6	0	0	0	113.4
117	D	30.5	Very low	28.1	Very low	140 Å²	140	132.1 Å²	132.1	75%	0.749	75%	0.748	S	S	*	*				-148.5	142	53.4	-86.7	-37.5	0	0	0	117.8
118	F	29.9	Very low	28.3	Very low	166 Å²	166	133 Å²	133	73%	0.728	75%	0.752	S	S	*	*			trans	23.7	128.6	150.9	-70.3	-83.8	0	0	0	124.8
119	N	27.3	Very low	28.2	Very low	142 Å²	142	134.7 Å²	134.7	76%	0.759	76%	0.755	S	S	*	*			trans	70.3	145.8	140.3	-62.8	-18.3	0	0	0	120.3
120	S	26.9	Very low	28.2	Very low	94 Å²	94	133.2 Å²	133.2	66%	0.657	76%	0.755	S	S	*	*			cis	-171.2	140.5	-25.9	52.1	0	0	0	0	109.4
121	S	27	Very low	28.1	Very low	101 Å²	101	134.2 Å²	134.2	71%	0.706	76%	0.76	S	S	*	*			trans	66.5	159.8	170	79.9	0	0	0	0	119
122	H	31.8	Very low	28.1	Very low	169 Å²	169	130 Å²	130	78%	0.782	75%	0.754	S	S	*	*			trans	59.2	98.2	176.5	-61.6	-74	0	0	0	119.2	P124	H122-P124 WeakPolarHBondContact O-CD 3.42Å
123	L	28.2	Very low	28.4	Very low	168 Å²	168	129.7 Å²	129.7	88%	0.88	75%	0.752	S	S	*	*			trans	-72.8	128.8	151.7	-86	77.3	0	0	0	109.9
124	P	29.9	Very low	28.1	Very low	111 Å²	111	129.8 Å²	129.8	72%	0.721	74%	0.744	S	S	*	*			trans	-109.5	101	169.5	34.3	-21.8	0	0	0	111	H122 K126	H122-P124 WeakPolarHBondContact O-CD 3.42Å; P124-K126 PolarHBondContact O-N 2.72Å
125	T	27.6	Very low	28.3	Very low	135 Å²	135	134.6 Å²	134.6	83%	0.828	76%	0.755	S	S	*	*			trans	-76.6	75	166.8	49.7	0	0	0	0	110.4
126	K	25.6	Very low	28.2	Very low	195 Å²	195	132.6 Å²	132.6	85%	0.848	75%	0.753	S	S	*	*			trans	-133.2	105.2	165.3	-82.9	-170.7	173.7	-176.7	0	109.2	P124	P124-K126 PolarHBondContact O-N 2.72Å
127	A	28.2	Very low	28.3	Very low	99 Å²	99	138.1 Å²	138.1	82%	0.818	76%	0.764	S	S	*	*			trans	-97.4	148.6	156.7	0	0	0	0	0	108.5
128	P	32.3	Very low	28.2	Very low	110 Å²	110	140.2 Å²	140.2	71%	0.714	77%	0.767	S	S	*	*			trans	-110.6	158.4	-137.9	38.6	-34.1	0	0	0	115.7
129	P	27	Very low	27.9	Very low	119 Å²	119	138.2 Å²	138.2	77%	0.773	77%	0.768	S	S	*	*			trans	-84	126.8	166.2	33.4	-31.5	0	0	0	111.8
130	C	27.9	Very low	28.1	Very low	112 Å²	112	140 Å²	140	76%	0.757	77%	0.772	S	S	*	*			trans	-144.5	135.5	163.4	-66.2	0	0	0	0	105.9
131	I	27.3	Very low	28	Very low	150 Å²	150	142.4 Å²	142.4	77%	0.769	78%	0.776	S	S	*	*			cis	67.2	79.5	19.5	-47.2	-175.4	0	0	0	113.7
132	S	24.8	Very low	28.2	Very low	97 Å²	97	145.8 Å²	145.8	68%	0.678	78%	0.781	S	S	*	*			trans	63.3	166.8	139.2	79.2	0	0	0	0	122.3
133	S	30.1	Very low	27.9	Very low	100 Å²	100	144.7 Å²	144.7	70%	0.699	78%	0.781	S	S	*	*			trans	77	81.9	169	69.3	0	0	0	0	119.1
134	N	24.9	Very low	27.9	Very low	117 Å²	117	144.2 Å²	144.2	63%	0.626	78%	0.779	S	S	*	*			trans	5.2	122.8	132	-79.3	-72.5	0	0	0	118.5
135	H	32.6	Very low	27.8	Very low	196 Å²	196	145.5 Å²	145.5	91%	0.907	78%	0.779	S	S	*	*				-160.8	147.2	127.7	-106.7	-3.8	0	0	0	115.9
136	N	24.8	Very low	27.7	Very low	142 Å²	142	144.9 Å²	144.9	76%	0.759	78%	0.78	S	S	*	*			trans	-98.7	136	-175.5	-76.4	-80.6	0	0	0	112.8
137	R	30.3	Very low	27.8	Very low	237 Å²	237	142.5 Å²	142.5	89%	0.894	78%	0.776	S	S	*	*			trans	178.6	115.8	142.4	-96.8	148.3	-166.6	-151.2	4.7	110.5
138	K	27.1	Very low	27.8	Very low	185 Å²	185	142.7 Å²	142.7	80%	0.804	77%	0.771	S	S	*	*				84.3	93.3	85	-80.9	-164	176.6	-171.5	0	116.4
139	T	25.5	Very low	27.7	Very low	123 Å²	123	143.3 Å²	143.3	76%	0.755	77%	0.773	S	S	*	*				45.5	113.2	126.6	58.7	0	0	0	0	121.9
140	Q	29.7	Very low	27.7	Very low	179 Å²	179	143.3 Å²	143.3	84%	0.836	76%	0.763	S	S	*	*				-170.6	120.9	129.3	-103.7	162	-20.6	0	0	108.9
141	I	26.3	Very low	27.8	Very low	146 Å²	146	146.8 Å²	146.8	75%	0.749	77%	0.767	S	S	*	*				62.3	103.4	88.4	-58.5	174.5	0	0	0	114.3
142	H	30.3	Very low	28	Very low	172 Å²	172	143.1 Å²	143.1	80%	0.796	76%	0.76	S	S	*	*				-160	155.1	119.2	-126.3	-89.8	0	0	0	112
143	N	25.7	Very low	28.2	Very low	146 Å²	146	147.2 Å²	147.2	78%	0.781	77%	0.772	S	S	*	*			trans	-113.4	159.7	171.2	-59.9	-32.1	0	0	0	108.9
144	D	28.9	Very low	28.1	Very low	157 Å²	157	147.2 Å²	147.2	84%	0.84	77%	0.771	S	S	*	*			trans	-153.5	-179.1	140.6	-112.3	-48.3	0	0	0	112.7
145	L	26.8	Very low	28.3	Very low	139 Å²	139	149.5 Å²	149.5	73%	0.728	78%	0.778	S	S	*	*				-147.1	87.6	-125.3	-170.1	69.4	0	0	0	116.9
146	S	26.8	Very low	28	Very low	122 Å²	122	148.8 Å²	148.8	85%	0.853	77%	0.772	S	S	*	*			trans	-158.2	110.7	168.2	58.7	0	0	0	0	112.6
147	L	26.5	Very low	28.1	Very low	145 Å²	145	151 Å²	151	76%	0.759	78%	0.778	S	S	*	*			cis	85.1	79.8	15	-151.3	158.7	0	0	0	116.4
148	S	29.2	Very low	28	Very low	103 Å²	103	144.2 Å²	144.2	72%	0.72	77%	0.767	S	S	*	*			trans	-167.5	93.6	153.3	55.1	0	0	0	0	109.4
149	T	30	Very low	27.9	Very low	123 Å²	123	141 Å²	141	76%	0.755	77%	0.766	S	S	*	*				61.7	108.1	97.7	59.3	0	0	0	0	116.6
150	Q	27.3	Very low	27.9	Very low	118 Å²	118	143 Å²	143	55%	0.551	77%	0.771	S	S	*	*				-160	158.7	109.2	-106.2	170.2	9.2	0	0	111.5	S99 P100	S99-Q150 PolarHBondContact O-NE2 3.48Å; P100-Q150 VanDerWaalsContact CA-OE1 3.24Å
151	H	29.7	Very low	28	Very low	185 Å²	185	137.3 Å²	137.3	86%	0.856	75%	0.751	S	S	*	*			trans	-145	142.7	-155.7	-142.9	-76.3	0	0	0	112.2
152	A	31.4	Very low	28.3	Very low	74 Å²	74	135.3 Å²	135.3	61%	0.612	75%	0.745	S	S	*	*			trans	47	124.4	156.9	0	0	0	0	0	121.5
153	I	28.1	Very low	28.3	Very low	182 Å²	182	133.5 Å²	133.5	93%	0.933	74%	0.741	S	S	*	*				-116.2	143.2	122.8	-65.8	-176.6	0	0	0	107.7
154	C	28	Very low	28.5	Very low	100 Å²	100	134 Å²	134	68%	0.676	74%	0.736	S	S	*	*			trans	-150.4	141.8	-169.6	174.5	0	0	0	0	110.4
155	Q	28.7	Very low	28.6	Very low	166 Å²	166	129.6 Å²	129.6	78%	0.776	71%	0.713	S	S	*	*			trans	164.9	156.6	157.1	-96.6	164.8	95	0	0	110.6
156	K	26.7	Very low	28.9	Very low	180 Å²	180	130 Å²	130	78%	0.783	71%	0.709	S	S	*	*			cis	-169.3	119.4	-27.3	-127.5	-173.4	-164	165.3	0	108.8
157	Q	27	Very low	29.1	Very low	188 Å²	188	129.6 Å²	129.6	88%	0.879	70%	0.696	S	S	*	*			trans	-159.6	91.8	163.2	-106.7	167.4	5.8	0	0	108.5
158	S	29.1	Very low	29.4	Very low	96 Å²	96	126.6 Å²	126.6	67%	0.671	68%	0.68	S	S	*	*				79.7	50.8	91.2	72.6	0	0	0	0	116.4	I160	S158-I160 PolarHBondContact O-N 2.97Å; S158-I160 VanDerWaalsContact O-N 3.17Å
159	C	24	Very low	29.6	Very low	116 Å²	116	126 Å²	126	78%	0.784	67%	0.669	S	S	*	*	S	Bend	trans	41	56.5	135.2	-57.1	0	0	0	0	120.6
160	I	26.3	Very low	29.8	Very low	166 Å²	166	125.7 Å²	125.7	85%	0.851	66%	0.663	S	S	*	*	S	Bend	trans	-124	-6.9	160.7	-61	-177.2	0	0	0	112.9	S158	S158-I160 PolarHBondContact O-N 2.97Å; S158-I160 VanDerWaalsContact O-N 3.17Å
161	S	30.9	Very low	30	Very low	60 Å²	60	128.9 Å²	128.9	42%	0.42	67%	0.67	S	S	.	*			trans	-86.2	-25.6	-174.4	72.9	0	0	0	0	116.1	L163 K164 D165	S161-L163 PolarHBondContact O-N 3.42Å; S161-K164 WeakPolarHBondContact O-CB 3.48Å; S161-K164 PolarHBondContact O-N 2.93Å; S161-D165 WeakPolarHBondContact CB-OD2 3.48Å; S161-D165 PolarHBondContact O-N 3.48Å; S161-D165 PolarHBondContact OG-OD2 2.93Å
162	T	33.5	Very low	30.1	Very low	103 Å²	103	124.3 Å²	124.3	63%	0.632	65%	0.652	S	S	*	*	H	α-helix	trans	-56.4	-16.8	-159	60.6	0	0	0	0	118.1
163	L	28.7	Very low	30	Very low	134 Å²	134	125.4 Å²	125.4	70%	0.702	65%	0.653	S	S	*	*	H	α-helix	trans	-93.1	-28.9	176.8	-145.6	160.1	0	0	0	112.2	S161 L167	S161-L163 PolarHBondContact O-N 3.42Å; L163-L167 HydrophobicContact CD2-CD1 4.23Å
164	K	30.6	Very low	30.1	Very low	156 Å²	156	122 Å²	122	68%	0.678	64%	0.637	S	S	*	*	H	α-helix	trans	-72.4	-46.4	174	-169.5	-170.3	177.1	-161.4	0	110.4	S161 K166 L167 L168	S161-K164 WeakPolarHBondContact O-CB 3.48Å; S161-K164 PolarHBondContact O-N 2.93Å; K164-K166 VanDerWaalsContact C-N 3.29Å; K164-K166 PolarHBondContact O-N 3.35Å; K164-L167 PolarHBondContact O-N 3.09Å; K164-L168 PolarHBondContact O-N 3.1Å
165	D	31.7	Very low	30.4	Very low	65 Å²	65	123.7 Å²	123.7	35%	0.348	64%	0.639	S	S	.	*	H	α-helix	trans	-66.7	-32.9	-174.8	-48.8	-27.2	0	0	0	111.5	S161 L168 N169	S161-D165 WeakPolarHBondContact CB-OD2 3.48Å; S161-D165 PolarHBondContact O-N 3.48Å; S161-D165 PolarHBondContact OG-OD2 2.93Å; D165-L168 PolarHBondContact O-N 3.41Å; D165-N169 WeakPolarHBondContact O-CB 3.44Å; D165-N169 PolarHBondContact O-N 2.98Å; D165-N169 PolarHBondContact O-OD1 3.28Å
166	K	33.5	Very low	30.5	Very low	148 Å²	148	119.8 Å²	119.8	64%	0.643	64%	0.635	S	S	*	*	H	α-helix	trans	-69.7	-38.8	177	-150.1	169.5	-170.1	175.7	0	112.7	K164 L168 D170	K164-K166 VanDerWaalsContact C-N 3.29Å; K164-K166 PolarHBondContact O-N 3.35Å; K166-L168 VanDerWaalsContact C-N 3.32Å; K166-D170 PolarHBondContact O-N 2.95Å; K166-D170 VanDerWaalsContact O-N 3.08Å
167	L	30.7	Very low	30.6	Very low	113 Å²	113	114.9 Å²	114.9	59%	0.592	63%	0.628	S	S	*	*	H	α-helix	trans	-71.1	-26.1	171.6	-82.2	166.3	0	0	0	113	L163 K164	L163-L167 HydrophobicContact CD2-CD1 4.23Å; K164-L167 PolarHBondContact O-N 3.09Å
168	L	32.4	Very low	30.7	Very low	82 Å²	82	112.3 Å²	112.3	43%	0.429	62%	0.62	S	S	.	*	H	α-helix	trans	-74.3	-43.3	173.4	-146.8	78.5	0	0	0	111	K164 D165 K166 W171 L172	K164-L168 PolarHBondContact O-N 3.1Å; D165-L168 PolarHBondContact O-N 3.41Å; K166-L168 VanDerWaalsContact C-N 3.32Å; L168-W171 CarbonylContact O-C 3.6Å; L168-W171 PolarHBondContact O-N 3.35Å; L168-W171 VanDerWaalsContact O-N 3.15Å; L168-L172 HydrophobicContact CD2-CD1 4.07Å; L168-L172 HydrophobicContact CG-CD1 4.02Å; L168-L172 WeakPolarHBondContact O-CB 3.39Å; L168-L172 WeakPolarHBondContact O-CG 3.43Å; L168-L172 PolarHBondContact O-N 3.46Å
169	N	34.2	Very low	30.6	Very low	91 Å²	91	115.3 Å²	115.3	49%	0.487	63%	0.629	S	S	.	*	H	α-helix	trans	-70.2	-40.4	-178.2	-68.4	1	0	0	0	112.3	D165 W171 L172 C173	D165-N169 WeakPolarHBondContact O-CB 3.44Å; D165-N169 PolarHBondContact O-N 2.98Å; D165-N169 PolarHBondContact O-OD1 3.28Å; N169-W171 PolarHBondContact O-N 2.89Å; N169-W171 VanDerWaalsContact O-N 3.15Å; N169-L172 PolarHBondContact O-N 3.17Å; N169-C173 WeakPolarHBondContact O-CB 3.24Å; N169-C173 PolarHBondContact O-N 3.06Å; N169-C173 PolarHBondContact O-SG 3.03Å; N169-C173 VanDerWaalsContact O-SG 3.34Å
170	D	33.5	Very low	30.9	Very low	117 Å²	117	119.6 Å²	119.6	63%	0.626	63%	0.63	S	S	*	*	H	α-helix	trans	-60.8	-21.6	171.7	-74.5	-9.9	0	0	0	112.4	K166	K166-D170 PolarHBondContact O-N 2.95Å; K166-D170 VanDerWaalsContact O-N 3.08Å
171	W	32	Very low	31.1	Very low	185 Å²	185	117.5 Å²	117.5	70%	0.701	63%	0.629	S	S	*	*	H	α-helix	trans	-93	-35.2	176.7	-160.1	45	0	0	0	112.6	L168 N169	L168-W171 CarbonylContact O-C 3.6Å; L168-W171 PolarHBondContact O-N 3.35Å; L168-W171 VanDerWaalsContact O-N 3.15Å; N169-W171 PolarHBondContact O-N 2.89Å; N169-W171 VanDerWaalsContact O-N 3.15Å
172	L	31	Very low	31.3	Very low	89 Å²	89	120.7 Å²	120.7	47%	0.466	64%	0.64	S	S	.	*	H	α-helix	trans	-73.6	-35.6	176.7	-81.3	160.9	0	0	0	113.1	L168 N169 L174 N175	L168-L172 HydrophobicContact CD2-CD1 4.07Å; L168-L172 HydrophobicContact CG-CD1 4.02Å; L168-L172 WeakPolarHBondContact O-CB 3.39Å; L168-L172 WeakPolarHBondContact O-CG 3.43Å; L168-L172 PolarHBondContact O-N 3.46Å; N169-L172 PolarHBondContact O-N 3.17Å; L172-L174 PolarHBondContact O-N 3.33Å; L172-L174 VanDerWaalsContact O-N 3.13Å; L172-N175 PolarHBondContact O-N 3.13Å
173	C	29.3	Very low	31.4	Very low	96 Å²	96	118.6 Å²	118.6	65%	0.649	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-63.9	-16.2	176.8	-72.8	0	0	0	0	113.6	N169	N169-C173 WeakPolarHBondContact O-CB 3.24Å; N169-C173 PolarHBondContact O-N 3.06Å; N169-C173 PolarHBondContact O-SG 3.03Å; N169-C173 VanDerWaalsContact O-SG 3.34Å
174	L	30.5	Very low	32	Very low	111 Å²	111	117.5 Å²	117.5	58%	0.581	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-79	-19.5	173.4	-112.6	157	0	0	0	113.2	L172	L172-L174 PolarHBondContact O-N 3.33Å; L172-L174 VanDerWaalsContact O-N 3.13Å
175	N	33.1	Very low	32.8	Very low	136 Å²	136	115.4 Å²	115.4	73%	0.727	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-88.4	-1.4	177.1	-68.2	-3.8	0	0	0	113.2	L172	L172-N175 PolarHBondContact O-N 3.13Å
176	A	32.2	Very low	33.5	Very low	83 Å²	83	113.4 Å²	113.4	69%	0.686	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-102.6	15.8	-176.1	0	0	0	0	0	113.7
177	A	29.2	Very low	33.9	Very low	77 Å²	77	112.4 Å²	112.4	64%	0.636	61%	0.609	S	S	*	*	S	Bend	trans	-125.3	79.8	-172.1	0	0	0	0	0	112.9
178	N	28	Very low	35	Very low	134 Å²	134	112 Å²	112	72%	0.717	60%	0.604	S	S	*	*			trans	47.9	96	155.2	-60.7	0.1	0	0	0	119.6	Y180	N178-Y180 PolarHBondContact O-N 3.28Å
179	N	26.9	Very low	35.9	Very low	159 Å²	159	110 Å²	110	85%	0.85	59%	0.591	S	S	*	*				39.5	43.8	123.5	-63.7	9.8	0	0	0	120.1
180	Y	31.4	Very low	36.9	Very low	207 Å²	207	111.1 Å²	111.1	81%	0.812	59%	0.589	S	S	*	*			trans	-136.2	135.7	164.7	-74.1	-73.6	0	0	0	112.7	N178 L182	N178-Y180 PolarHBondContact O-N 3.28Å; Y180-L182 PolarHBondContact O-N 3.32Å
181	C	29.9	Very low	37.8	Very low	122 Å²	122	111 Å²	111	82%	0.824	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-63.3	120.8	-177.5	-55.2	0	0	0	0	111.5
182	L	36.1	Very low	39	Very low	126 Å²	126	104.2 Å²	104.2	66%	0.66	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-78.4	127.2	173.1	-66.7	94.6	0	0	0	110.2	Y180 V186	Y180-L182 PolarHBondContact O-N 3.32Å; L182-V186 HydrophobicContact CB-CB 4.38Å; L182-V186 HydrophobicContact CB-CG2 4.27Å; L182-V186 HydrophobicContact CD2-CB 4.38Å; L182-V186 HydrophobicContact CD2-CG1 3.85Å; L182-V186 HydrophobicContact CD2-CG2 4.35Å
183	P	34.1	Very low	40.5	Very low	59 Å²	59	103.7 Å²	103.7	38%	0.383	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-71	162.1	-177.5	29.1	-35.2	0	0	0	112.4	N185 V186 E326	P183-N185 PolarHBondContact O-N 2.66Å; P183-V186 HydrophobicContact CG-CG2 4.16Å; P183-V186 PolarHBondContact O-N 2.94Å; P183-E326 VanDerWaalsContact CG-OE1 3.28Å; P183-E326 WeakPolarHBondContact CG-OE1 3.44Å
184	P	42.5	Very low	41.9	Very low	112 Å²	112	106.1 Å²	106.1	73%	0.727	55%	0.553	S	S	*	*	H	α-helix	trans	-57	-24.1	-174.2	20.4	-33.6	0	0	0	114.9	V186 Y187	P184-V186 VanDerWaalsContact C-N 3.25Å; P184-V186 PolarHBondContact O-N 3.4Å; P184-Y187 WeakPolarHBondContact O-CB 3.49Å; P184-Y187 PolarHBondContact O-N 3.29Å
185	N	46.4	Very low	43.8	Very low	111 Å²	111	105 Å²	105	59%	0.594	55%	0.546	S	S	*	.	H	α-helix	trans	-59.7	-34.2	176.5	-63.5	-3.3	0	0	0	112.6	P183 Y187 E188 Y189	P183-N185 PolarHBondContact O-N 2.66Å; N185-Y187 VanDerWaalsContact C-N 3.26Å; N185-Y187 PolarHBondContact O-N 3.48Å; N185-E188 PolarHBondContact O-N 3.03Å; N185-E188 VanDerWaalsContact O-N 3.1Å; N185-Y189 PolarHBondContact O-N 3.33Å
186	V	46.2	Very low	45.4	Very low	23 Å²	23	99.1 Å²	99.1	14%	0.139	52%	0.515	C	S	.	.	H	α-helix	trans	-69.1	-26.6	-178.5	-170.1	0	0	0	0	111.7	L182 P183 P184 E188 Y189 Y190	L182-V186 HydrophobicContact CB-CB 4.38Å; L182-V186 HydrophobicContact CB-CG2 4.27Å; L182-V186 HydrophobicContact CD2-CB 4.38Å; L182-V186 HydrophobicContact CD2-CG1 3.85Å; L182-V186 HydrophobicContact CD2-CG2 4.35Å; P183-V186 HydrophobicContact CG-CG2 4.16Å; P183-V186 PolarHBondContact O-N 2.94Å; P184-V186 VanDerWaalsContact C-N 3.25Å; P184-V186 PolarHBondContact O-N 3.4Å; V186-E188 VanDerWaalsContact C-N 3.29Å; V186-E188 PolarHBondContact O-N 3.34Å; V186-Y189 WeakPolarHBondContact O-CB 3.45Å; V186-Y189 PolarHBondContact O-N 2.88Å; V186-Y190 HydrophobicContact CG1-CD2 3.87Å; V186-Y190 HydrophobicContact CG1-CE2 3.66Å; V186-Y190 WeakPolarHBondContact O-CD2 3.48Å; V186-Y190 PolarHBondContact O-N 3.05Å
187	Y	43.4	Very low	47.1	Very low	127 Å²	127	99.8 Å²	99.8	50%	0.498	50%	0.502	S	S	.	.	H	α-helix	trans	-62.9	-37	172.2	-179.2	-110.8	0	0	0	111.8	P184 N185 K191 Q564	P184-Y187 WeakPolarHBondContact O-CB 3.49Å; P184-Y187 PolarHBondContact O-N 3.29Å; N185-Y187 VanDerWaalsContact C-N 3.26Å; N185-Y187 PolarHBondContact O-N 3.48Å; Y187-K191 WeakPolarHBondContact O-CB 3.5Å; Y187-K191 PolarHBondContact O-N 3.43Å; Y187-K191 VanDerWaalsContact O-N 3.11Å; Y187-Q564 VanDerWaalsContact CE2-CD 3.47Å; Y187-Q564 VanDerWaalsContact CE2-OE1 3.22Å
188	E	53.6	Low	48.9	Very low	106 Å²	106	102.4 Å²	102.4	50%	0.495	50%	0.497	S	S	.	.	H	α-helix	trans	-72.9	-31.5	175.4	-130.5	-126.2	140.5	0	0	112.4	N185 V186 K191 N192	N185-E188 PolarHBondContact O-N 3.03Å; N185-E188 VanDerWaalsContact O-N 3.1Å; V186-E188 VanDerWaalsContact C-N 3.29Å; V186-E188 PolarHBondContact O-N 3.34Å; E188-K191 HydrophobicContact CG-CD 4.4Å; E188-N192 WeakPolarHBondContact O-CB 3.47Å; E188-N192 PolarHBondContact O-N 3.05Å; E188-N192 PolarHBondContact O-ND2 3.4Å; E188-N192 PolarHBondContact OE1-ND2 2.83Å
189	Y	51	Low	50.8	Low	39 Å²	39	101.5 Å²	101.5	15%	0.153	48%	0.483	C	S	.	.	H	α-helix	trans	-59.7	-53.3	170.7	177.4	-116.8	0	0	0	111.6	N185 V186 K191 N192 Y193 D329 A333	N185-Y189 PolarHBondContact O-N 3.33Å; V186-Y189 WeakPolarHBondContact O-CB 3.45Å; V186-Y189 PolarHBondContact O-N 2.88Å; Y189-K191 PolarHBondContact O-N 3.32Å; Y189-N192 PolarHBondContact O-N 3.19Å; Y189-Y193 WeakPolarHBondContact O-CB 3.47Å; Y189-Y193 PolarHBondContact O-N 3.28Å; Y189-D329 HydrophobicContact CD1-CB 4.46Å; Y189-D329 HydrophobicContact CD2-CB 4.38Å; Y189-D329 HydrophobicContact CE1-CB 3.86Å; Y189-D329 HydrophobicContact CE2-CB 3.79Å; Y189-D329 WeakPolarHBondContact CE2-O 3.47Å; Y189-D329 VanDerWaalsContact CZ-CB 3.5Å; Y189-D329 VanDerWaalsContact CZ-OD1 3.24Å; Y189-D329 PolarHBondContact OH-OD1 3.2Å; Y189-A333 HydrophobicContact CD2-CB 4.44Å; Y189-A333 HydrophobicContact CE2-CB 3.91Å
190	Y	55	Low	53	Low	115 Å²	115	95.7 Å²	95.7	45%	0.451	45%	0.451	S	S	.	.	H	α-helix	trans	-61.3	-41.8	179.4	-80.6	-66.1	0	0	0	113	V186 N192 Y193 F194	V186-Y190 HydrophobicContact CG1-CD2 3.87Å; V186-Y190 HydrophobicContact CG1-CE2 3.66Å; V186-Y190 WeakPolarHBondContact O-CD2 3.48Å; V186-Y190 PolarHBondContact O-N 3.05Å; Y190-N192 PolarHBondContact O-N 3.02Å; Y190-Y193 PolarHBondContact O-N 3.17Å; Y190-F194 WeakPolarHBondContact O-CB 3.38Å; Y190-F194 PolarHBondContact O-N 2.96Å
191	K	51.8	Low	54.9	Low	115 Å²	115	88.8 Å²	88.8	50%	0.5	44%	0.437	S	S	.	.	H	α-helix	trans	-56.7	-47.5	173	177.2	-172.3	170.5	-158.7	0	111.8	Y187 E188 Y189 I195	Y187-K191 WeakPolarHBondContact O-CB 3.5Å; Y187-K191 PolarHBondContact O-N 3.43Å; Y187-K191 VanDerWaalsContact O-N 3.11Å; E188-K191 HydrophobicContact CG-CD 4.4Å; Y189-K191 PolarHBondContact O-N 3.32Å; K191-I195 WeakPolarHBondContact O-CD1 3.37Å; K191-I195 WeakPolarHBondContact O-CG1 3.35Å; K191-I195 PolarHBondContact O-N 3.47Å
192	N	57.6	Low	56.8	Low	41 Å²	41	87.8 Å²	87.8	22%	0.219	42%	0.42	C	S	.	.	H	α-helix	trans	-68.5	-39.7	177.5	-83.9	-78.6	0	0	0	112.4	E188 Y189 Y190 I195 L196 R337	E188-N192 WeakPolarHBondContact O-CB 3.47Å; E188-N192 PolarHBondContact O-N 3.05Å; E188-N192 PolarHBondContact O-ND2 3.4Å; E188-N192 PolarHBondContact OE1-ND2 2.83Å; Y189-N192 PolarHBondContact O-N 3.19Å; Y190-N192 PolarHBondContact O-N 3.02Å; N192-I195 PolarHBondContact O-N 2.96Å; N192-L196 WeakPolarHBondContact O-CG 3.19Å; N192-L196 PolarHBondContact O-N 3.43Å; N192-R337 PolarHBondContact OD1-NH2 3.17Å
193	Y	62.1	Low	58.6	Low	78 Å²	78	82.7 Å²	82.7	31%	0.306	39%	0.393	S	S	.	.	H	α-helix	trans	-66.5	-42.7	-179.2	-176.2	-102	0	0	0	112.4	Y189 Y190 I195 L196 K197 L336	Y189-Y193 WeakPolarHBondContact O-CB 3.47Å; Y189-Y193 PolarHBondContact O-N 3.28Å; Y190-Y193 PolarHBondContact O-N 3.17Å; Y193-I195 VanDerWaalsContact C-N 3.34Å; Y193-I195 PolarHBondContact O-N 3.39Å; Y193-L196 PolarHBondContact O-N 3.48Å; Y193-K197 HydrophobicContact CD1-CG 4.32Å; Y193-K197 HydrophobicContact CE1-CG 3.88Å; Y193-K197 PolarHBondContact O-N 3.2Å; Y193-K197 WeakPolarHBondContact OH-CE 3.36Å; Y193-L336 HydrophobicContact CE2-CD2 4.35Å
194	F	59.9	Low	60.5	Low	148 Å²	148	81.7 Å²	81.7	65%	0.649	39%	0.385	S	S	*	.	H	α-helix	trans	-61.1	-42	176.1	-170	-90.6	0	0	0	111.9	Y190 L196 K197 Y198	Y190-F194 WeakPolarHBondContact O-CB 3.38Å; Y190-F194 PolarHBondContact O-N 2.96Å; F194-L196 VanDerWaalsContact C-N 3.35Å; F194-L196 PolarHBondContact O-N 2.96Å; F194-K197 PolarHBondContact O-N 2.94Å; F194-Y198 WeakPolarHBondContact O-CB 3.43Å; F194-Y198 PolarHBondContact O-N 3.43Å
195	I	68.6	Low	61.9	Low	87 Å²	87	80.4 Å²	80.4	45%	0.446	37%	0.371	S	S	.	.	H	α-helix	trans	-64.3	-38.5	175.8	-65.9	167.6	0	0	0	111.3	K191 N192 Y193 R199	K191-I195 WeakPolarHBondContact O-CD1 3.37Å; K191-I195 WeakPolarHBondContact O-CG1 3.35Å; K191-I195 PolarHBondContact O-N 3.47Å; N192-I195 PolarHBondContact O-N 2.96Å; Y193-I195 VanDerWaalsContact C-N 3.34Å; Y193-I195 PolarHBondContact O-N 3.39Å; I195-R199 PolarHBondContact O-N 3.11Å
196	L	67	Low	63.2	Low	12 Å²	12	77.4 Å²	77.4	6%	0.063	35%	0.353	C	S	.	.	H	α-helix	trans	-67.2	-44.4	175.5	-73.9	167	0	0	0	112.2	N192 Y193 F194 Y198 R199 Q200 A333 L336 R337 L340	N192-L196 WeakPolarHBondContact O-CG 3.19Å; N192-L196 PolarHBondContact O-N 3.43Å; Y193-L196 PolarHBondContact O-N 3.48Å; F194-L196 VanDerWaalsContact C-N 3.35Å; F194-L196 PolarHBondContact O-N 2.96Å; L196-Y198 PolarHBondContact O-N 2.93Å; L196-R199 PolarHBondContact O-N 3.41Å; L196-Q200 WeakPolarHBondContact O-CB 3.31Å; L196-Q200 PolarHBondContact O-N 2.82Å; L196-A333 HydrophobicContact CD1-CB 4.32Å; L196-L336 HydrophobicContact CB-CD2 3.97Å; L196-L336 HydrophobicContact CD1-CD2 4.37Å; L196-R337 HydrophobicContact CD2-CB 4Å; L196-R337 HydrophobicContact CD2-CG 4.35Å; L196-L340 HydrophobicContact CD2-CD2 4.48Å
197	K	68.3	Low	64.6	Low	98 Å²	98	76.3 Å²	76.3	43%	0.426	35%	0.346	S	S	.	.	H	α-helix	trans	-59.1	-42.8	173.4	-88.6	-85.5	-173.5	166.4	0	112.3	Y193 F194 Q200 A201	Y193-K197 HydrophobicContact CD1-CG 4.32Å; Y193-K197 HydrophobicContact CE1-CG 3.88Å; Y193-K197 PolarHBondContact O-N 3.2Å; Y193-K197 WeakPolarHBondContact OH-CE 3.36Å; F194-K197 PolarHBondContact O-N 2.94Å; K197-Q200 WeakPolarHBondContact O-CB 3.49Å; K197-Q200 PolarHBondContact O-N 3.33Å; K197-A201 PolarHBondContact O-N 2.76Å
198	Y	67.8	Low	66.1	Low	132 Å²	132	72.8 Å²	72.8	52%	0.518	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-50.3	175.7	-176.6	-80.8	0	0	0	111.4	F194 L196 Q200 A201 E202	F194-Y198 WeakPolarHBondContact O-CB 3.43Å; F194-Y198 PolarHBondContact O-N 3.43Å; L196-Y198 PolarHBondContact O-N 2.93Å; Y198-Q200 VanDerWaalsContact C-N 3.25Å; Y198-Q200 PolarHBondContact O-N 2.91Å; Y198-A201 PolarHBondContact O-N 3.49Å; Y198-A201 VanDerWaalsContact O-N 3.13Å; Y198-E202 WeakPolarHBondContact CE1-OE2 3.45Å; Y198-E202 PolarHBondContact O-N 3.15Å; Y198-E202 VanDerWaalsContact O-N 3.1Å
199	R	67.7	Low	67	Low	115 Å²	115	70 Å²	70	43%	0.434	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-32.8	176.7	-77.2	-175.7	172.4	-117	-2.8	112.7	I195 L196 E202 I203 L340 D439	I195-R199 PolarHBondContact O-N 3.11Å; L196-R199 PolarHBondContact O-N 3.41Å; R199-E202 PolarHBondContact O-N 3.39Å; R199-I203 WeakPolarHBondContact O-CB 3.38Å; R199-I203 WeakPolarHBondContact O-CD1 3.22Å; R199-I203 VanDerWaalsContact O-CG1 3.25Å; R199-I203 WeakPolarHBondContact O-CG1 3.4Å; R199-I203 PolarHBondContact O-N 3.39Å; R199-L340 HydrophobicContact CB-CD2 3.79Å; R199-D439 IonicContact NH2-OD2 3.98Å
200	Q	73.8	Confident	68	Low	37 Å²	37	70.1 Å²	70.1	17%	0.173	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-42.9	175.3	-170.7	-174.1	17.9	0	0	111.6	L196 K197 Y198 N204 A276 L340	L196-Q200 WeakPolarHBondContact O-CB 3.31Å; L196-Q200 PolarHBondContact O-N 2.82Å; K197-Q200 WeakPolarHBondContact O-CB 3.49Å; K197-Q200 PolarHBondContact O-N 3.33Å; Y198-Q200 VanDerWaalsContact C-N 3.25Å; Y198-Q200 PolarHBondContact O-N 2.91Å; Q200-N204 WeakPolarHBondContact O-CB 3.33Å; Q200-N204 PolarHBondContact O-N 3.21Å; Q200-N204 PolarHBondContact O-ND2 3.45Å; Q200-A276 PolarHBondContact NE2-O 2.94Å; Q200-L340 HydrophobicContact CB-CD1 4.46Å; Q200-L340 HydrophobicContact CB-CD2 4.44Å
201	A	70.4	Confident	69.2	Low	62 Å²	62	66.5 Å²	66.5	51%	0.512	32%	0.32	S	S	.	.	H	α-helix	trans	-66.6	-43.2	176.7	0	0	0	0	0	112.4	K197 Y198 N204 L205	K197-A201 PolarHBondContact O-N 2.76Å; Y198-A201 PolarHBondContact O-N 3.49Å; Y198-A201 VanDerWaalsContact O-N 3.13Å; A201-N204 PolarHBondContact O-N 3.05Å; A201-L205 PolarHBondContact O-N 3.36Å
202	E	70.6	Confident	70.3	Confident	100 Å²	100	65.7 Å²	65.7	47%	0.467	32%	0.324	S	S	.	.	H	α-helix	trans	-61.1	-45.6	177.8	-170.9	166.4	-142.1	0	0	112	Y198 R199 L205 F206	Y198-E202 WeakPolarHBondContact CE1-OE2 3.45Å; Y198-E202 PolarHBondContact O-N 3.15Å; Y198-E202 VanDerWaalsContact O-N 3.1Å; R199-E202 PolarHBondContact O-N 3.39Å; E202-L205 PolarHBondContact O-N 2.87Å; E202-F206 PolarHBondContact O-N 3.06Å; E202-F206 VanDerWaalsContact O-N 3.16Å
203	I	72.2	Confident	71.1	Confident	19 Å²	19	65.6 Å²	65.6	10%	0.097	33%	0.325	C	S	.	.	H	α-helix	trans	-65.7	-44.4	175.9	-69.3	167	0	0	0	111.5	R199 L205 F206 I207 L340	R199-I203 WeakPolarHBondContact O-CB 3.38Å; R199-I203 WeakPolarHBondContact O-CD1 3.22Å; R199-I203 VanDerWaalsContact O-CG1 3.25Å; R199-I203 WeakPolarHBondContact O-CG1 3.4Å; R199-I203 PolarHBondContact O-N 3.39Å; I203-L205 VanDerWaalsContact C-N 3.34Å; I203-L205 PolarHBondContact O-N 3.12Å; I203-F206 PolarHBondContact O-N 2.69Å; I203-I207 HydrophobicContact CG2-CD1 3.57Å; I203-I207 HydrophobicContact CG2-CG1 4.35Å; I203-I207 VanDerWaalsContact O-CG1 3.3Å; I203-I207 WeakPolarHBondContact O-CG1 3.45Å; I203-I207 PolarHBondContact O-N 3.37Å; I203-L340 HydrophobicContact CD1-CB 4.33Å; I203-L340 HydrophobicContact CD1-CD2 4.08Å; I203-L340 HydrophobicContact CD1-CG 4.1Å
204	N	75	Confident	71.8	Confident	39 Å²	39	62 Å²	62	21%	0.209	31%	0.311	C	S	.	.	H	α-helix	trans	-59.6	-43	177.7	-87.7	-24.8	0	0	0	112.3	Q200 A201 I207 S208 A276 N277	Q200-N204 WeakPolarHBondContact O-CB 3.33Å; Q200-N204 PolarHBondContact O-N 3.21Å; Q200-N204 PolarHBondContact O-ND2 3.45Å; A201-N204 PolarHBondContact O-N 3.05Å; N204-I207 PolarHBondContact O-N 2.81Å; N204-S208 WeakPolarHBondContact O-CB 3.31Å; N204-S208 PolarHBondContact O-N 3.21Å; N204-A276 VanDerWaalsContact OD1-CB 3.28Å; N204-A276 WeakPolarHBondContact OD1-CB 3.45Å; N204-N277 PolarHBondContact ND2-OD1 3.33Å; N204-N277 PolarHBondContact OD1-ND2 3.31Å
205	L	71.8	Confident	72.6	Confident	85 Å²	85	59 Å²	59	45%	0.445	30%	0.301	S	S	.	.	H	α-helix	trans	-61.2	-49.3	176.9	-176.8	63.5	0	0	0	110.9	A201 E202 I203 I207 S208 L209	A201-L205 PolarHBondContact O-N 3.36Å; E202-L205 PolarHBondContact O-N 2.87Å; I203-L205 VanDerWaalsContact C-N 3.34Å; I203-L205 PolarHBondContact O-N 3.12Å; L205-I207 PolarHBondContact O-N 3.23Å; L205-S208 PolarHBondContact O-N 3.34Å; L205-S208 PolarHBondContact O-OG 3.13Å; L205-L209 HydrophobicContact CG-CD1 4.41Å; L205-L209 WeakPolarHBondContact O-CG 3.5Å; L205-L209 PolarHBondContact O-N 3.04Å; L205-L209 VanDerWaalsContact O-N 3.14Å
206	F	72.6	Confident	73	Confident	47 Å²	47	59.6 Å²	59.6	21%	0.206	30%	0.301	C	S	.	.	H	α-helix	trans	-57.5	-45.7	177.6	175.9	-108.5	0	0	0	112.8	E202 I203 S208 L209 N210 F437	E202-F206 PolarHBondContact O-N 3.06Å; E202-F206 VanDerWaalsContact O-N 3.16Å; I203-F206 PolarHBondContact O-N 2.69Å; F206-S208 VanDerWaalsContact C-N 3.34Å; F206-S208 PolarHBondContact O-N 3.01Å; F206-L209 PolarHBondContact O-N 3.21Å; F206-N210 VanDerWaalsContact CE1-ND2 3.33Å; F206-N210 WeakPolarHBondContact CE1-ND2 3.43Å; F206-N210 WeakPolarHBondContact CE2-ND2 3.37Å; F206-N210 WeakPolarHBondContact CZ-ND2 3.45Å; F206-N210 PolarHBondContact O-N 3.08Å; F206-N210 PolarHBondContact O-ND2 3.35Å; F206-F437 HydrophobicContact CD1-CE2 4.25Å; F206-F437 HydrophobicContact CD1-CZ 4.32Å; F206-F437 HydrophobicContact CD2-CE2 4.21Å; F206-F437 AromaticContact CE1-CE2 3.85Å; F206-F437 HydrophobicContact CE1-CE2 3.85Å; F206-F437 HydrophobicContact CE1-CZ 4.28Å; F206-F437 AromaticContact CE2-CE2 3.81Å; F206-F437 HydrophobicContact CE2-CE2 3.81Å; F206-F437 HydrophobicContact CG-CE2 4.42Å; F206-F437 HydrophobicContact CZ-CD2 4.42Å; F206-F437 AromaticContact CZ-CE2 3.6Å; F206-F437 HydrophobicContact CZ-CE2 3.6Å; F206-F437 HydrophobicContact CZ-CZ 4.44Å
207	I	77.6	Confident	73.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.2	-40.6	178.4	-62.4	160.9	0	0	0	110.8	I203 N204 L205 L209 N210 L211 L269 V273 S343	I203-I207 HydrophobicContact CG2-CD1 3.57Å; I203-I207 HydrophobicContact CG2-CG1 4.35Å; I203-I207 VanDerWaalsContact O-CG1 3.3Å; I203-I207 WeakPolarHBondContact O-CG1 3.45Å; I203-I207 PolarHBondContact O-N 3.37Å; N204-I207 PolarHBondContact O-N 2.81Å; L205-I207 PolarHBondContact O-N 3.23Å; I207-L209 PolarHBondContact O-N 3.45Å; I207-N210 PolarHBondContact O-N 3.11Å; I207-L211 VanDerWaalsContact O-CB 3.25Å; I207-L211 WeakPolarHBondContact O-CB 3.46Å; I207-L211 PolarHBondContact O-N 3.01Å; I207-L269 HydrophobicContact CG2-CB 4.17Å; I207-L269 HydrophobicContact CG2-CD2 4.09Å; I207-L269 WeakPolarHBondContact CG2-O 3.43Å; I207-V273 HydrophobicContact CB-CG2 4.37Å; I207-V273 HydrophobicContact CG2-CG2 3.41Å; I207-V273 VanDerWaalsContact CG2-CG2 3.41Å; I207-S343 WeakPolarHBondContact CD1-OG 3.3Å
208	S	73.6	Confident	73.7	Confident	53 Å²	53	57.3 Å²	57.3	37%	0.371	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-42.3	179.9	74.5	0	0	0	0	113	N204 L205 F206 L211 V212	N204-S208 WeakPolarHBondContact O-CB 3.31Å; N204-S208 PolarHBondContact O-N 3.21Å; L205-S208 PolarHBondContact O-N 3.34Å; L205-S208 PolarHBondContact O-OG 3.13Å; F206-S208 VanDerWaalsContact C-N 3.34Å; F206-S208 PolarHBondContact O-N 3.01Å; S208-L211 PolarHBondContact O-N 3.47Å; S208-V212 WeakPolarHBondContact O-CG2 3.42Å; S208-V212 PolarHBondContact O-N 3.39Å
209	L	72.1	Confident	74.1	Confident	49 Å²	49	54.9 Å²	54.9	26%	0.257	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-46.1	179.3	-65.7	173.3	0	0	0	111.5	L205 F206 I207 L211 V212 V213	L205-L209 HydrophobicContact CG-CD1 4.41Å; L205-L209 WeakPolarHBondContact O-CG 3.5Å; L205-L209 PolarHBondContact O-N 3.04Å; L205-L209 VanDerWaalsContact O-N 3.14Å; F206-L209 PolarHBondContact O-N 3.21Å; I207-L209 PolarHBondContact O-N 3.45Å; L209-L211 VanDerWaalsContact C-N 3.31Å; L209-L211 PolarHBondContact O-N 2.92Å; L209-V212 PolarHBondContact O-N 3.44Å; L209-V213 WeakPolarHBondContact O-CG2 3.32Å; L209-V213 PolarHBondContact O-N 2.92Å; L209-V213 VanDerWaalsContact O-N 3.13Å
210	N	73.1	Confident	74.3	Confident	40 Å²	40	50.7 Å²	50.7	21%	0.214	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-38.6	175.9	-70.4	-49.6	0	0	0	112	F206 I207 V213 C214 L269	F206-N210 VanDerWaalsContact CE1-ND2 3.33Å; F206-N210 WeakPolarHBondContact CE1-ND2 3.43Å; F206-N210 WeakPolarHBondContact CE2-ND2 3.37Å; F206-N210 WeakPolarHBondContact CZ-ND2 3.45Å; F206-N210 PolarHBondContact O-N 3.08Å; F206-N210 PolarHBondContact O-ND2 3.35Å; I207-N210 PolarHBondContact O-N 3.11Å; N210-V213 PolarHBondContact O-N 3.27Å; N210-C214 WeakPolarHBondContact O-CB 3.39Å; N210-C214 PolarHBondContact O-N 2.83Å; N210-C214 PolarHBondContact O-SG 3.48Å; N210-L269 HydrophobicContact CB-CD1 3.81Å; N210-L269 HydrophobicContact CB-CD2 3.92Å
211	L	78.7	Confident	74.1	Confident	40 Å²	40	51 Å²	51	21%	0.209	28%	0.283	C	S	.	.	H	α-helix	trans	-65.7	-40.2	179.5	-179.9	143	0	0	0	111.6	I207 S208 L209 C214 I215 L269 L270	I207-L211 VanDerWaalsContact O-CB 3.25Å; I207-L211 WeakPolarHBondContact O-CB 3.46Å; I207-L211 PolarHBondContact O-N 3.01Å; S208-L211 PolarHBondContact O-N 3.47Å; L209-L211 VanDerWaalsContact C-N 3.31Å; L209-L211 PolarHBondContact O-N 2.92Å; L211-C214 PolarHBondContact O-N 3.28Å; L211-I215 HydrophobicContact CD2-CD1 3.56Å; L211-I215 HydrophobicContact CG-CD1 4.05Å; L211-I215 WeakPolarHBondContact O-CB 3.38Å; L211-I215 VanDerWaalsContact O-CG1 3.26Å; L211-I215 WeakPolarHBondContact O-CG1 3.45Å; L211-I215 PolarHBondContact O-N 2.81Å; L211-L269 HydrophobicContact CB-CB 4.44Å; L211-L269 HydrophobicContact CB-CD1 4.36Å; L211-L269 HydrophobicContact CD1-CB 4.38Å; L211-L270 HydrophobicContact CD1-CB 4.47Å
212	V	75.7	Confident	74	Confident	97 Å²	97	52.2 Å²	52.2	59%	0.588	28%	0.279	S	S	*	.	H	α-helix	trans	-61.4	-47.3	172.7	170.4	0	0	0	0	111.5	S208 L209 C214 I215 F216	S208-V212 WeakPolarHBondContact O-CG2 3.42Å; S208-V212 PolarHBondContact O-N 3.39Å; L209-V212 PolarHBondContact O-N 3.44Å; V212-C214 PolarHBondContact O-N 3.48Å; V212-I215 PolarHBondContact O-N 3.44Å; V212-F216 WeakPolarHBondContact O-CB 3.48Å; V212-F216 PolarHBondContact O-N 2.93Å
213	V	75.3	Confident	73.9	Confident	39 Å²	39	50.9 Å²	50.9	24%	0.236	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-42.8	179.1	172.3	0	0	0	0	111.7	L209 N210 F216 L217 F354	L209-V213 WeakPolarHBondContact O-CG2 3.32Å; L209-V213 PolarHBondContact O-N 2.92Å; L209-V213 VanDerWaalsContact O-N 3.13Å; N210-V213 PolarHBondContact O-N 3.27Å; V213-F216 PolarHBondContact O-N 3.19Å; V213-L217 HydrophobicContact CG1-CD1 4.05Å; V213-L217 PolarHBondContact O-N 3.34Å; V213-L217 VanDerWaalsContact O-N 3.1Å; V213-F354 HydrophobicContact CG1-CE2 4.24Å; V213-F354 HydrophobicContact CG1-CZ 3.93Å
214	C	76.9	Confident	73.6	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.02	29%	0.294	C	S	.	.	H	α-helix	trans	-67.5	-41.2	179	-64.5	0	0	0	0	112.2	N210 L211 V212 L217 V218 T266 L269 F354	N210-C214 WeakPolarHBondContact O-CB 3.39Å; N210-C214 PolarHBondContact O-N 2.83Å; N210-C214 PolarHBondContact O-SG 3.48Å; L211-C214 PolarHBondContact O-N 3.28Å; V212-C214 PolarHBondContact O-N 3.48Å; C214-L217 PolarHBondContact O-N 3.2Å; C214-V218 WeakPolarHBondContact O-CG2 3.47Å; C214-V218 PolarHBondContact O-N 3.26Å; C214-T266 HydrophobicContact CB-CG2 3.51Å; C214-L269 HydrophobicContact CB-CD1 4.47Å; C214-F354 WeakPolarHBondContact SG-CD2 3.35Å
215	I	76.4	Confident	72.9	Confident	85 Å²	85	54.8 Å²	54.8	44%	0.436	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-45	174.8	-72.1	170.9	0	0	0	110.7	L211 V212 L217 V218 V219	L211-I215 HydrophobicContact CD2-CD1 3.56Å; L211-I215 HydrophobicContact CG-CD1 4.05Å; L211-I215 WeakPolarHBondContact O-CB 3.38Å; L211-I215 VanDerWaalsContact O-CG1 3.26Å; L211-I215 WeakPolarHBondContact O-CG1 3.45Å; L211-I215 PolarHBondContact O-N 2.81Å; V212-I215 PolarHBondContact O-N 3.44Å; I215-L217 VanDerWaalsContact C-N 3.32Å; I215-L217 PolarHBondContact O-N 3.13Å; I215-V218 PolarHBondContact O-N 2.97Å; I215-V219 HydrophobicContact CG2-CG2 4.4Å; I215-V219 WeakPolarHBondContact O-CG2 3.36Å; I215-V219 PolarHBondContact O-N 2.99Å
216	F	75.9	Confident	72.2	Confident	100 Å²	100	55.7 Å²	55.7	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-58.4	-42.5	177.6	-178.6	-100.1	0	0	0	112.3	V212 V213 V219 S220	V212-F216 WeakPolarHBondContact O-CB 3.48Å; V212-F216 PolarHBondContact O-N 2.93Å; V213-F216 PolarHBondContact O-N 3.19Å; F216-V219 PolarHBondContact O-N 3.03Å; F216-S220 WeakPolarHBondContact O-CB 3.39Å; F216-S220 PolarHBondContact O-N 3.39Å
217	L	75.3	Confident	71.3	Confident	36 Å²	36	62.8 Å²	62.8	19%	0.188	33%	0.326	C	S	.	.	H	α-helix	trans	-70.8	-36.8	177.9	-76.2	163	0	0	0	113.2	V213 C214 I215 S220 M221 F354	V213-L217 HydrophobicContact CG1-CD1 4.05Å; V213-L217 PolarHBondContact O-N 3.34Å; V213-L217 VanDerWaalsContact O-N 3.1Å; C214-L217 PolarHBondContact O-N 3.2Å; I215-L217 VanDerWaalsContact C-N 3.32Å; I215-L217 PolarHBondContact O-N 3.13Å; L217-S220 PolarHBondContact O-N 3.49Å; L217-M221 WeakPolarHBondContact O-CG 3.27Å; L217-M221 PolarHBondContact O-N 2.99Å; L217-F354 HydrophobicContact CD1-CE2 3.51Å; L217-F354 HydrophobicContact CD1-CZ 3.57Å
218	V	76.1	Confident	70	Confident	26 Å²	26	68.2 Å²	68.2	16%	0.158	36%	0.355	C	S	.	.	H	α-helix	trans	-62.8	-45.1	171.7	170.8	0	0	0	0	110.8	C214 I215 S220 M221 M222 L259 L262 T266	C214-V218 WeakPolarHBondContact O-CG2 3.47Å; C214-V218 PolarHBondContact O-N 3.26Å; I215-V218 PolarHBondContact O-N 2.97Å; V218-S220 PolarHBondContact O-N 3.44Å; V218-M221 PolarHBondContact O-N 3.14Å; V218-M222 WeakPolarHBondContact O-CG 3.32Å; V218-M222 PolarHBondContact O-N 2.82Å; V218-L259 HydrophobicContact CG1-CD1 4.5Å; V218-L262 HydrophobicContact CG2-CB 3.78Å; V218-L262 HydrophobicContact CG2-CD1 4.46Å; V218-T266 HydrophobicContact CG2-CG2 4.38Å
219	V	75.9	Confident	68.6	Low	81 Å²	81	69.7 Å²	69.7	49%	0.491	36%	0.362	S	S	.	.	H	α-helix	trans	-60.8	-44	175.9	171.1	0	0	0	0	111.1	I215 F216 M221 M222 T223	I215-V219 HydrophobicContact CG2-CG2 4.4Å; I215-V219 WeakPolarHBondContact O-CG2 3.36Å; I215-V219 PolarHBondContact O-N 2.99Å; F216-V219 PolarHBondContact O-N 3.03Å; V219-M221 PolarHBondContact O-N 2.96Å; V219-M222 PolarHBondContact O-N 2.87Å; V219-T223 HydrophobicContact CG1-CG2 4.4Å; V219-T223 PolarHBondContact O-N 3.25Å; V219-T223 PolarHBondContact O-OG1 2.94Å
220	S	71.3	Confident	66.8	Low	27 Å²	27	74.3 Å²	74.3	19%	0.189	39%	0.386	C	S	.	.	H	α-helix	trans	-62.5	-39.3	178.1	-175.1	0	0	0	0	113.3	F216 L217 V218 T223 Y224	F216-S220 WeakPolarHBondContact O-CB 3.39Å; F216-S220 PolarHBondContact O-N 3.39Å; L217-S220 PolarHBondContact O-N 3.49Å; V218-S220 PolarHBondContact O-N 3.44Å; S220-T223 PolarHBondContact O-OG1 3.46Å; S220-T223 VanDerWaalsContact O-OG1 3.08Å; S220-Y224 WeakPolarHBondContact O-CB 3.39Å; S220-Y224 PolarHBondContact O-N 3.3Å
221	M	69.7	Low	65.3	Low	43 Å²	43	77.6 Å²	77.6	21%	0.212	41%	0.41	C	S	.	.	H	α-helix	trans	-67.7	-36.7	173.5	-66.5	-67.7	95.4	0	0	112.3	L217 V218 V219 S225 L262	L217-M221 WeakPolarHBondContact O-CG 3.27Å; L217-M221 PolarHBondContact O-N 2.99Å; V218-M221 PolarHBondContact O-N 3.14Å; V219-M221 PolarHBondContact O-N 2.96Å; M221-S225 PolarHBondContact O-N 2.79Å; M221-L262 HydrophobicContact CG-CD1 4.19Å
222	M	69.1	Low	63.5	Low	88 Å²	88	81.7 Å²	81.7	43%	0.433	44%	0.438	S	S	.	.	H	α-helix	trans	-69.7	-41.5	176.3	-68.8	-64.2	-167	0	0	112.5	V218 V219 S225 N226 L259	V218-M222 WeakPolarHBondContact O-CG 3.32Å; V218-M222 PolarHBondContact O-N 2.82Å; V219-M222 PolarHBondContact O-N 2.87Å; M222-S225 PolarHBondContact O-N 3.43Å; M222-N226 PolarHBondContact O-N 3.46Å; M222-L259 HydrophobicContact CE-CD1 4.14Å; M222-L259 HydrophobicContact CE-CD2 4.01Å
223	T	68.4	Low	61.3	Low	72 Å²	72	84.1 Å²	84.1	44%	0.442	45%	0.454	S	S	.	.	H	α-helix	trans	-66.7	-38.5	176	53.8	0	0	0	0	111.8	V219 S220 N226 Y227	V219-T223 HydrophobicContact CG1-CG2 4.4Å; V219-T223 PolarHBondContact O-N 3.25Å; V219-T223 PolarHBondContact O-OG1 2.94Å; S220-T223 PolarHBondContact O-OG1 3.46Å; S220-T223 VanDerWaalsContact O-OG1 3.08Å; T223-N226 PolarHBondContact O-N 3.44Å; T223-Y227 PolarHBondContact O-N 3.4Å
224	Y	65.3	Low	59.3	Low	110 Å²	110	86 Å²	86	43%	0.431	47%	0.473	S	S	.	.	H	α-helix	trans	-62.2	-42.2	172.9	-174.5	-98.6	0	0	0	112.2	S220 N226 Y227 N228	S220-Y224 WeakPolarHBondContact O-CB 3.39Å; S220-Y224 PolarHBondContact O-N 3.3Å; Y224-N226 VanDerWaalsContact C-N 3.32Å; Y224-N226 PolarHBondContact O-N 2.96Å; Y224-Y227 PolarHBondContact O-N 2.76Å; Y224-N228 PolarHBondContact O-N 3.43Å
225	S	61	Low	57.1	Low	30 Å²	30	93.2 Å²	93.2	21%	0.21	51%	0.512	C	S	.	.	H	α-helix	trans	-61.9	-39	175.1	-166	0	0	0	0	112.3	M221 M222 T229	M221-S225 PolarHBondContact O-N 2.79Å; M222-S225 PolarHBondContact O-N 3.43Å; S225-T229 WeakPolarHBondContact O-CG2 3.43Å
226	N	56.7	Low	55.1	Low	104 Å²	104	95.1 Å²	95.1	56%	0.556	53%	0.533	S	S	*	.	H	α-helix	trans	-72.9	-37.4	178.4	-71.9	-5.5	0	0	0	112.6	M222 T223 Y224 N228 T229	M222-N226 PolarHBondContact O-N 3.46Å; T223-N226 PolarHBondContact O-N 3.44Å; Y224-N226 VanDerWaalsContact C-N 3.32Å; Y224-N226 PolarHBondContact O-N 2.96Å; N226-N228 PolarHBondContact O-N 3.46Å; N226-T229 PolarHBondContact O-N 3.38Å; N226-T229 PolarHBondContact O-OG1 3.19Å
227	Y	53.6	Low	52.9	Low	196 Å²	196	95.4 Å²	95.4	77%	0.769	55%	0.547	S	S	*	.	H	α-helix	trans	-59.3	-33.5	179	-109.2	-86.4	0	0	0	112.9	T223 Y224 T229	T223-Y227 PolarHBondContact O-N 3.4Å; Y224-Y227 PolarHBondContact O-N 2.76Å; Y227-T229 PolarHBondContact O-N 3.11Å
228	N	50.3	Low	50.9	Low	113 Å²	113	98.8 Å²	98.8	60%	0.604	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	5.8	176.4	-68.7	-19.2	0	0	0	114.3	Y224 N226	Y224-N228 PolarHBondContact O-N 3.43Å; N226-N228 PolarHBondContact O-N 3.46Å
229	T	42.9	Very low	48.8	Very low	84 Å²	84	104.7 Å²	104.7	52%	0.515	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113.7	0.5	-176.8	60.8	0	0	0	0	115.5	S225 N226 Y227 P231	S225-T229 WeakPolarHBondContact O-CG2 3.43Å; N226-T229 PolarHBondContact O-N 3.38Å; N226-T229 PolarHBondContact O-OG1 3.19Å; Y227-T229 PolarHBondContact O-N 3.11Å; T229-P231 WeakPolarHBondContact O-CD 3.22Å
230	L	35.9	Very low	46.8	Very low	147 Å²	147	108 Å²	108	77%	0.77	62%	0.616	S	S	*	*			trans	-93.6	115.6	170.3	-99.3	69.1	0	0	0	110.6
231	P	39.9	Very low	44.8	Very low	109 Å²	109	113.2 Å²	113.2	71%	0.708	64%	0.638	S	S	*	*			trans	-70.6	140.2	167.9	30.3	-33.4	0	0	0	110.2	T229	T229-P231 WeakPolarHBondContact O-CD 3.22Å
232	P	41	Very low	42.9	Very low	125 Å²	125	119.1 Å²	119.1	81%	0.812	66%	0.664	S	S	*	*			trans	-68.4	136.8	174.6	28.9	-33.8	0	0	0	110.6	A234	P232-A234 PolarHBondContact O-N 3.25Å
233	T	31.1	Very low	41.2	Very low	148 Å²	148	120.3 Å²	120.3	91%	0.908	68%	0.681	S	S	*	*			trans	-77.5	102.7	-175.9	50.7	0	0	0	0	111.9
234	A	33.4	Very low	39.3	Very low	79 Å²	79	128.3 Å²	128.3	65%	0.653	71%	0.705	S	S	*	*			trans	-149	138.4	165.1	0	0	0	0	0	112.1	P232	P232-A234 PolarHBondContact O-N 3.25Å
235	D	29.8	Very low	37.6	Very low	154 Å²	154	127.9 Å²	127.9	82%	0.824	72%	0.724	S	S	*	*			trans	70.1	156.6	153.4	-54.2	-23.2	0	0	0	122.7
236	S	34.9	Very low	36.2	Very low	125 Å²	125	133.4 Å²	133.4	87%	0.874	76%	0.756	S	S	*	*			trans	76.9	125.4	174.2	71	0	0	0	0	119
237	S	29.8	Very low	35.2	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	77%	0.768	S	S	*	*			trans	-96.5	168.5	166.8	53.5	0	0	0	0	110.4
238	S	33.1	Very low	34.5	Very low	107 Å²	107	129.2 Å²	129.2	75%	0.748	76%	0.764	S	S	*	*			trans	66.1	141.2	178.1	68.1	0	0	0	0	116
239	I	30.7	Very low	34	Very low	150 Å²	150	130.2 Å²	130.2	77%	0.769	77%	0.768	S	S	*	*			cis	161.6	148.4	-17.7	-99.8	156.4	0	0	0	103.6
240	I	35.3	Very low	33.9	Very low	150 Å²	150	134.8 Å²	134.8	77%	0.769	78%	0.783	S	S	*	*			trans	73.2	143.2	-179.3	-63.7	161.6	0	0	0	115.5
241	Q	28.9	Very low	34.7	Very low	137 Å²	137	130.3 Å²	130.3	64%	0.64	76%	0.76	S	S	*	*			cis	-172.7	141	-37.2	-141.6	168.4	-68.6	0	0	109.8
242	H	29.4	Very low	35.9	Very low	168 Å²	168	128.7 Å²	128.7	78%	0.778	75%	0.748	S	S	*	*			trans	62.5	155.9	173.7	-51.6	-70.1	0	0	0	115.8
243	S	33.5	Very low	37	Very low	112 Å²	112	130 Å²	130	78%	0.783	74%	0.743	S	S	*	*			cis	-145.5	170.5	5.9	48.1	0	0	0	0	112
244	Y	28.1	Very low	38.8	Very low	241 Å²	241	125 Å²	125	95%	0.945	71%	0.712	S	S	*	*			trans	-70	129.8	-175.5	-69.3	-101	0	0	0	115
245	A	30.7	Very low	40.4	Very low	100 Å²	100	124.3 Å²	124.3	83%	0.826	70%	0.698	S	S	*	*			trans	-152.8	150.4	155.1	0	0	0	0	0	110.4
246	V	32.2	Very low	42.5	Very low	147 Å²	147	121 Å²	121	89%	0.891	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-71.7	127.3	-174.6	177.5	0	0	0	0	111.4	S248	V246-S248 PolarHBondContact O-N 3Å
247	S	34.3	Very low	44.6	Very low	114 Å²	114	118.6 Å²	118.6	80%	0.797	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-69.6	118.6	174.7	49.9	0	0	0	0	111.7
248	S	38.3	Very low	46.8	Very low	97 Å²	97	117.1 Å²	117.1	68%	0.678	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-73.7	125	-175.6	48.2	0	0	0	0	113	V246 H250	V246-S248 PolarHBondContact O-N 3Å; S248-H250 PolarHBondContact O-N 3Å
249	L	40.6	Very low	49	Very low	135 Å²	135	113.4 Å²	113.4	71%	0.707	61%	0.606	S	S	*	*			trans	-73.6	93.6	176.1	-167.6	82.3	0	0	0	110	L251	L249-L251 PolarHBondContact O-N 3.02Å
250	H	40.1	Very low	51.5	Low	179 Å²	179	110.1 Å²	110.1	83%	0.829	59%	0.593	S	S	*	*			trans	-76.9	45.9	-172.4	-129.5	-63.7	0	0	0	114.4	S248 T252	S248-H250 PolarHBondContact O-N 3Å; H250-T252 PolarHBondContact O-N 2.84Å
251	L	54.2	Low	53.8	Low	53 Å²	53	104.4 Å²	104.4	28%	0.277	56%	0.564	S	S	.	*			trans	-66.7	127.4	175.4	-167.9	70.8	0	0	0	109.9	L249 N255 L256	L249-L251 PolarHBondContact O-N 3.02Å; L251-N255 HydrophobicContact CD1-CB 3.76Å; L251-N255 HydrophobicContact CG-CB 3.97Å; L251-L256 HydrophobicContact CD2-CB 4.05Å; L251-L256 HydrophobicContact CD2-CD1 4.12Å
252	T	64.6	Low	56.3	Low	76 Å²	76	98 Å²	98	47%	0.466	53%	0.534	S	S	.	.			trans	-63.2	144.7	178.5	63.9	0	0	0	0	110.9	H250 V254 N255 L256	H250-T252 PolarHBondContact O-N 2.84Å; T252-V254 PolarHBondContact O-N 2.99Å; T252-V254 VanDerWaalsContact O-N 3.09Å; T252-N255 PolarHBondContact O-N 3.34Å; T252-N255 WeakPolarHBondContact OG1-CB 3.44Å; T252-N255 VanDerWaalsContact OG1-CG 3.26Å; T252-N255 PolarHBondContact OG1-N 3.08Å; T252-N255 PolarHBondContact OG1-ND2 2.77Å; T252-L256 PolarHBondContact O-N 3.47Å
253	H	64.5	Low	58.9	Low	153 Å²	153	93.6 Å²	93.6	71%	0.708	52%	0.515	S	S	*	.	H	α-helix	trans	-51.5	-36.3	177.2	-90.8	-78.8	0	0	0	112.7	L256 I257	H253-L256 PolarHBondContact O-N 2.98Å; H253-I257 WeakPolarHBondContact O-CB 3.47Å; H253-I257 WeakPolarHBondContact O-CD1 3.46Å; H253-I257 VanDerWaalsContact O-CG1 3.24Å; H253-I257 WeakPolarHBondContact O-CG1 3.33Å; H253-I257 PolarHBondContact O-N 3.43Å
254	V	67.8	Low	61.4	Low	41 Å²	41	90.6 Å²	90.6	25%	0.248	49%	0.494	C	S	.	.	H	α-helix	trans	-62.2	-45.9	175.3	171	0	0	0	0	112	T252 I257 R258 W361	T252-V254 PolarHBondContact O-N 2.99Å; T252-V254 VanDerWaalsContact O-N 3.09Å; V254-I257 PolarHBondContact O-N 2.94Å; V254-R258 WeakPolarHBondContact O-CB 3.4Å; V254-R258 PolarHBondContact O-N 3.47Å; V254-W361 HydrophobicContact CG1-CB 4Å; V254-W361 HydrophobicContact CG2-CB 4.5Å
255	N	68.5	Low	64.1	Low	66 Å²	66	79.1 Å²	79.1	35%	0.353	45%	0.45	S	S	.	.	H	α-helix	trans	-69.5	-35.2	178.6	-71	-2.6	0	0	0	111.6	L251 T252 R258 L259	L251-N255 HydrophobicContact CD1-CB 3.76Å; L251-N255 HydrophobicContact CG-CB 3.97Å; T252-N255 PolarHBondContact O-N 3.34Å; T252-N255 WeakPolarHBondContact OG1-CB 3.44Å; T252-N255 VanDerWaalsContact OG1-CG 3.26Å; T252-N255 PolarHBondContact OG1-N 3.08Å; T252-N255 PolarHBondContact OG1-ND2 2.77Å; N255-R258 PolarHBondContact O-N 2.92Å; N255-L259 WeakPolarHBondContact O-CB 3.36Å; N255-L259 PolarHBondContact O-N 3.37Å
256	L	73.9	Confident	66.7	Low	84 Å²	84	75.8 Å²	75.8	44%	0.44	42%	0.419	S	S	.	.	H	α-helix	trans	-63.7	-44.6	173.6	-175.7	64.7	0	0	0	111.9	L251 T252 H253 L259 T260	L251-L256 HydrophobicContact CD2-CB 4.05Å; L251-L256 HydrophobicContact CD2-CD1 4.12Å; T252-L256 PolarHBondContact O-N 3.47Å; H253-L256 PolarHBondContact O-N 2.98Å; L256-L259 PolarHBondContact O-N 3.09Å; L256-T260 WeakPolarHBondContact O-CB 3.28Å; L256-T260 PolarHBondContact O-N 3.25Å; L256-T260 PolarHBondContact O-OG1 3Å
257	I	78.8	Confident	69.3	Low	75 Å²	75	72.2 Å²	72.2	39%	0.385	40%	0.397	S	S	.	.	H	α-helix	trans	-60.9	-47.5	174.1	-70.8	162.8	0	0	0	110.4	H253 V254 L259 T260 L261	H253-I257 WeakPolarHBondContact O-CB 3.47Å; H253-I257 WeakPolarHBondContact O-CD1 3.46Å; H253-I257 VanDerWaalsContact O-CG1 3.24Å; H253-I257 WeakPolarHBondContact O-CG1 3.33Å; H253-I257 PolarHBondContact O-N 3.43Å; V254-I257 PolarHBondContact O-N 2.94Å; I257-L259 PolarHBondContact O-N 3.19Å; I257-T260 PolarHBondContact O-N 2.85Å; I257-L261 HydrophobicContact CG2-CD1 3.95Å; I257-L261 HydrophobicContact CG2-CG 4.47Å; I257-L261 WeakPolarHBondContact O-CG 3.36Å; I257-L261 PolarHBondContact O-N 3.31Å
258	R	76.1	Confident	71.8	Confident	74 Å²	74	68.2 Å²	68.2	28%	0.279	37%	0.367	S	S	.	.	H	α-helix	trans	-58.6	-46.1	179	-173.7	168.2	-161.6	-158.7	2.8	112.4	V254 N255 L261 L262 A357 N358	V254-R258 WeakPolarHBondContact O-CB 3.4Å; V254-R258 PolarHBondContact O-N 3.47Å; N255-R258 PolarHBondContact O-N 2.92Å; R258-L261 PolarHBondContact O-N 3Å; R258-L262 WeakPolarHBondContact O-CG 3.4Å; R258-L262 PolarHBondContact O-N 3.42Å; R258-L262 VanDerWaalsContact O-N 3.11Å; R258-A357 WeakPolarHBondContact CD-O 3.27Å; R258-A357 VanDerWaalsContact CG-O 3.31Å; R258-A357 WeakPolarHBondContact CG-O 3.42Å; R258-A357 PolarHBondContact NE-O 2.93Å; R258-N358 PolarHBondContact NH2-OD1 3.39Å
259	L	79.4	Confident	74.1	Confident	29 Å²	29	63.7 Å²	63.7	15%	0.152	34%	0.335	C	S	.	.	H	α-helix	trans	-63.2	-42.3	176.6	-178.8	60.2	0	0	0	111.6	V218 M222 N255 L256 I257 L261 L262 I263	V218-L259 HydrophobicContact CG1-CD1 4.5Å; M222-L259 HydrophobicContact CE-CD1 4.14Å; M222-L259 HydrophobicContact CE-CD2 4.01Å; N255-L259 WeakPolarHBondContact O-CB 3.36Å; N255-L259 PolarHBondContact O-N 3.37Å; L256-L259 PolarHBondContact O-N 3.09Å; I257-L259 PolarHBondContact O-N 3.19Å; L259-L261 PolarHBondContact O-N 3.43Å; L259-L262 PolarHBondContact O-N 3.45Å; L259-I263 HydrophobicContact CD1-CD1 4Å; L259-I263 HydrophobicContact CD1-CG1 4.3Å; L259-I263 HydrophobicContact CG-CD1 3.87Å; L259-I263 VanDerWaalsContact O-CG1 3.32Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 3.03Å
260	T	82.6	Confident	76.2	Confident	82 Å²	82	61.9 Å²	61.9	50%	0.503	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-42	178.1	-56.1	0	0	0	0	111.9	L256 I257 I263 S264	L256-T260 WeakPolarHBondContact O-CB 3.28Å; L256-T260 PolarHBondContact O-N 3.25Å; L256-T260 PolarHBondContact O-OG1 3Å; I257-T260 PolarHBondContact O-N 2.85Å; T260-I263 PolarHBondContact O-N 3.39Å; T260-S264 WeakPolarHBondContact O-CB 3.26Å; T260-S264 PolarHBondContact O-N 3.03Å
261	L	83.9	Confident	78.3	Confident	30 Å²	30	56.3 Å²	56.3	16%	0.157	30%	0.301	C	S	.	.	H	α-helix	trans	-65.9	-41.8	176.7	-69.4	169.1	0	0	0	112.3	I257 R258 L259 S264 S265 L353 L356 A357 W361	I257-L261 HydrophobicContact CG2-CD1 3.95Å; I257-L261 HydrophobicContact CG2-CG 4.47Å; I257-L261 WeakPolarHBondContact O-CG 3.36Å; I257-L261 PolarHBondContact O-N 3.31Å; R258-L261 PolarHBondContact O-N 3Å; L259-L261 PolarHBondContact O-N 3.43Å; L261-S264 PolarHBondContact O-N 2.88Å; L261-S265 PolarHBondContact O-N 3.42Å; L261-L353 HydrophobicContact CD2-CD2 3.71Å; L261-L356 HydrophobicContact CD1-CB 4.19Å; L261-A357 HydrophobicContact CB-CB 3.77Å; L261-W361 HydrophobicContact CD1-CZ2 4.23Å
262	L	81.2	Confident	79.7	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-45.6	174.8	-73.3	172.4	0	0	0	111.9	V218 M221 R258 L259 S264 S265 T266 F354 A357	V218-L262 HydrophobicContact CG2-CB 3.78Å; V218-L262 HydrophobicContact CG2-CD1 4.46Å; M221-L262 HydrophobicContact CG-CD1 4.19Å; R258-L262 WeakPolarHBondContact O-CG 3.4Å; R258-L262 PolarHBondContact O-N 3.42Å; R258-L262 VanDerWaalsContact O-N 3.11Å; L259-L262 PolarHBondContact O-N 3.45Å; L262-S264 PolarHBondContact O-N 3.1Å; L262-S265 WeakPolarHBondContact O-CB 3.43Å; L262-S265 PolarHBondContact O-N 3.49Å; L262-T266 PolarHBondContact O-N 3.38Å; L262-F354 HydrophobicContact CD2-CD2 4.11Å; L262-F354 HydrophobicContact CD2-CE2 4.27Å; L262-A357 HydrophobicContact CD2-CB 3.86Å; L262-A357 HydrophobicContact CG-CB 3.9Å
263	I	84.1	Confident	80.6	Confident	75 Å²	75	52.5 Å²	52.5	39%	0.385	28%	0.28	S	S	.	.	H	α-helix	trans	-60.2	-47.6	176.8	-69.2	168.4	0	0	0	110.1	L259 T260 S265 T266 V267	L259-I263 HydrophobicContact CD1-CD1 4Å; L259-I263 HydrophobicContact CD1-CG1 4.3Å; L259-I263 HydrophobicContact CG-CD1 3.87Å; L259-I263 VanDerWaalsContact O-CG1 3.32Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 3.03Å; T260-I263 PolarHBondContact O-N 3.39Å; I263-S265 VanDerWaalsContact C-N 3.31Å; I263-S265 PolarHBondContact O-N 2.72Å; I263-T266 PolarHBondContact O-N 3.27Å; I263-T266 VanDerWaalsContact O-N 3.14Å; I263-T266 PolarHBondContact O-OG1 3.35Å; I263-V267 HydrophobicContact CG2-CG2 4.43Å; I263-V267 WeakPolarHBondContact O-CG2 3.48Å; I263-V267 PolarHBondContact O-N 3.45Å
264	S	86	Confident	81.4	Confident	49 Å²	49	49.8 Å²	49.8	34%	0.343	27%	0.27	S	S	.	.	H	α-helix	trans	-56.5	-43.1	176.6	-170	0	0	0	0	112.5	T260 L261 L262 V267 L268	T260-S264 WeakPolarHBondContact O-CB 3.26Å; T260-S264 PolarHBondContact O-N 3.03Å; L261-S264 PolarHBondContact O-N 2.88Å; L262-S264 PolarHBondContact O-N 3.1Å; S264-V267 PolarHBondContact O-N 2.81Å; S264-L268 WeakPolarHBondContact O-CG 3.22Å; S264-L268 PolarHBondContact O-N 3.47Å
265	S	85.2	Confident	82	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.007	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-47.1	174.1	-172.3	0	0	0	0	112.5	L261 L262 I263 V267 L268 L269 A350	L261-S265 PolarHBondContact O-N 3.42Å; L262-S265 WeakPolarHBondContact O-CB 3.43Å; L262-S265 PolarHBondContact O-N 3.49Å; I263-S265 VanDerWaalsContact C-N 3.31Å; I263-S265 PolarHBondContact O-N 2.72Å; S265-V267 VanDerWaalsContact C-N 3.34Å; S265-V267 PolarHBondContact O-N 3.1Å; S265-L268 PolarHBondContact O-N 2.98Å; S265-L269 WeakPolarHBondContact O-CG 3.25Å; S265-L269 PolarHBondContact O-N 3.22Å; S265-A350 PolarHBondContact OG-O 2.99Å
266	T	83.8	Confident	82.3	Confident	29 Å²	29	48.3 Å²	48.3	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-40.8	176.9	60	0	0	0	0	112.9	C214 V218 L262 I263 L269 L270	C214-T266 HydrophobicContact CB-CG2 3.51Å; V218-T266 HydrophobicContact CG2-CG2 4.38Å; L262-T266 PolarHBondContact O-N 3.38Å; I263-T266 PolarHBondContact O-N 3.27Å; I263-T266 VanDerWaalsContact O-N 3.14Å; I263-T266 PolarHBondContact O-OG1 3.35Å; T266-L269 PolarHBondContact O-N 3.48Å; T266-L270 WeakPolarHBondContact O-CB 3.29Å; T266-L270 PolarHBondContact O-N 3.41Å
267	V	87.2	Confident	82.2	Confident	73 Å²	73	47.7 Å²	47.7	44%	0.442	26%	0.255	S	S	.	.	H	α-helix	trans	-65.2	-44.4	178.7	170.8	0	0	0	0	110.7	I263 S264 S265 L269 L270 I271	I263-V267 HydrophobicContact CG2-CG2 4.43Å; I263-V267 WeakPolarHBondContact O-CG2 3.48Å; I263-V267 PolarHBondContact O-N 3.45Å; S264-V267 PolarHBondContact O-N 2.81Å; S265-V267 VanDerWaalsContact C-N 3.34Å; S265-V267 PolarHBondContact O-N 3.1Å; V267-L269 PolarHBondContact O-N 3.04Å; V267-L270 PolarHBondContact O-N 3.23Å; V267-I271 HydrophobicContact CG1-CD1 3.75Å; V267-I271 HydrophobicContact CG1-CG1 4.41Å; V267-I271 VanDerWaalsContact O-CG1 3.26Å; V267-I271 WeakPolarHBondContact O-CG1 3.42Å; V267-I271 PolarHBondContact O-N 2.99Å
268	L	87.5	Confident	81.7	Confident	29 Å²	29	48.4 Å²	48.4	15%	0.152	26%	0.26	C	S	.	.	H	α-helix	trans	-65.8	-36.1	177.5	-76.2	162.2	0	0	0	113	S264 S265 S272 L346 I349 A350 L353	S264-L268 WeakPolarHBondContact O-CG 3.22Å; S264-L268 PolarHBondContact O-N 3.47Å; S265-L268 PolarHBondContact O-N 2.98Å; L268-S272 WeakPolarHBondContact O-CB 3.47Å; L268-S272 PolarHBondContact O-N 3.01Å; L268-S272 PolarHBondContact O-OG 2.89Å; L268-L346 HydrophobicContact CD2-CD2 3.79Å; L268-I349 HydrophobicContact CD1-CB 4.46Å; L268-I349 HydrophobicContact CD1-CG2 3.83Å; L268-A350 HydrophobicContact CB-CB 3.82Å; L268-L353 HydrophobicContact CD1-CD1 3.32Å
269	L	85.3	Confident	80.7	Confident	2 Å²	2	49 Å²	49	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-63.6	-43.9	171.5	-70	167.6	0	0	0	111.3	I207 N210 L211 C214 S265 T266 V267 I271 S272 V273 A350	I207-L269 HydrophobicContact CG2-CB 4.17Å; I207-L269 HydrophobicContact CG2-CD2 4.09Å; I207-L269 WeakPolarHBondContact CG2-O 3.43Å; N210-L269 HydrophobicContact CB-CD1 3.81Å; N210-L269 HydrophobicContact CB-CD2 3.92Å; L211-L269 HydrophobicContact CB-CB 4.44Å; L211-L269 HydrophobicContact CB-CD1 4.36Å; L211-L269 HydrophobicContact CD1-CB 4.38Å; C214-L269 HydrophobicContact CB-CD1 4.47Å; S265-L269 WeakPolarHBondContact O-CG 3.25Å; S265-L269 PolarHBondContact O-N 3.22Å; T266-L269 PolarHBondContact O-N 3.48Å; V267-L269 PolarHBondContact O-N 3.04Å; L269-I271 PolarHBondContact O-N 3.41Å; L269-S272 CarbonylContact O-C 3.56Å; L269-S272 WeakPolarHBondContact O-CA 3.48Å; L269-S272 VanDerWaalsContact O-CB 3.25Å; L269-S272 WeakPolarHBondContact O-CB 3.3Å; L269-S272 PolarHBondContact O-N 3.3Å; L269-V273 WeakPolarHBondContact O-CG2 3.43Å; L269-V273 PolarHBondContact O-N 2.87Å; L269-A350 HydrophobicContact CD2-CB 3.9Å; L269-A350 HydrophobicContact CG-CB 3.72Å
270	L	84.5	Confident	79.1	Confident	98 Å²	98	50.6 Å²	50.6	51%	0.513	29%	0.286	S	S	.	.	H	α-helix	trans	-65.8	-39.8	179.1	-156.9	156.7	0	0	0	111.7	L211 T266 V267 S272 V273 L274	L211-L270 HydrophobicContact CD1-CB 4.47Å; T266-L270 WeakPolarHBondContact O-CB 3.29Å; T266-L270 PolarHBondContact O-N 3.41Å; V267-L270 PolarHBondContact O-N 3.23Å; L270-S272 VanDerWaalsContact C-N 3.29Å; L270-S272 PolarHBondContact O-N 3.39Å; L270-V273 PolarHBondContact O-N 3.43Å; L270-L274 HydrophobicContact CD2-CD1 4.21Å; L270-L274 PolarHBondContact O-N 3Å; L270-L274 VanDerWaalsContact O-N 3.09Å
271	I	85.6	Confident	77	Confident	61 Å²	61	52.3 Å²	52.3	31%	0.313	29%	0.29	S	S	.	.	H	α-helix	trans	-63.1	-35.8	170.2	-63.7	166.5	0	0	0	110.9	V267 L269 L274 F275 L346	V267-I271 HydrophobicContact CG1-CD1 3.75Å; V267-I271 HydrophobicContact CG1-CG1 4.41Å; V267-I271 VanDerWaalsContact O-CG1 3.26Å; V267-I271 WeakPolarHBondContact O-CG1 3.42Å; V267-I271 PolarHBondContact O-N 2.99Å; L269-I271 PolarHBondContact O-N 3.41Å; I271-L274 WeakPolarHBondContact O-CB 3.41Å; I271-L274 PolarHBondContact O-N 3.41Å; I271-F275 HydrophobicContact CG2-CD2 3.8Å; I271-F275 HydrophobicContact CG2-CE2 3.67Å; I271-F275 WeakPolarHBondContact O-CD2 3.26Å; I271-F275 PolarHBondContact O-N 2.91Å; I271-L346 HydrophobicContact CG2-CD1 3.87Å
272	S	83	Confident	74.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-44.1	174.6	-53.9	0	0	0	0	111.7	L268 L269 L270 L274 F275 A276 S343 L346 S347	L268-S272 WeakPolarHBondContact O-CB 3.47Å; L268-S272 PolarHBondContact O-N 3.01Å; L268-S272 PolarHBondContact O-OG 2.89Å; L269-S272 CarbonylContact O-C 3.56Å; L269-S272 WeakPolarHBondContact O-CA 3.48Å; L269-S272 VanDerWaalsContact O-CB 3.25Å; L269-S272 WeakPolarHBondContact O-CB 3.3Å; L269-S272 PolarHBondContact O-N 3.3Å; L270-S272 VanDerWaalsContact C-N 3.29Å; L270-S272 PolarHBondContact O-N 3.39Å; S272-L274 VanDerWaalsContact C-N 3.26Å; S272-L274 PolarHBondContact O-N 3.26Å; S272-F275 PolarHBondContact O-N 3.47Å; S272-A276 WeakPolarHBondContact O-CB 3.38Å; S272-A276 PolarHBondContact O-N 3.39Å; S272-S343 PolarHBondContact O-OG 3.02Å; S272-L346 WeakPolarHBondContact OG-CB 3.46Å; S272-S347 PolarHBondContact OG-N 2.74Å
273	V	82.8	Confident	72.2	Confident	50 Å²	50	60.7 Å²	60.7	30%	0.303	33%	0.334	S	S	.	.	H	α-helix	trans	-56.3	-42.5	172.3	-179.3	0	0	0	0	110.7	I207 L269 L270 A276 N277	I207-V273 HydrophobicContact CB-CG2 4.37Å; I207-V273 HydrophobicContact CG2-CG2 3.41Å; I207-V273 VanDerWaalsContact CG2-CG2 3.41Å; L269-V273 WeakPolarHBondContact O-CG2 3.43Å; L269-V273 PolarHBondContact O-N 2.87Å; L270-V273 PolarHBondContact O-N 3.43Å; V273-A276 PolarHBondContact O-N 3Å; V273-N277 WeakPolarHBondContact CG1-ND2 3.34Å; V273-N277 WeakPolarHBondContact O-CB 3.3Å; V273-N277 PolarHBondContact O-N 3.15Å; V273-N277 PolarHBondContact O-ND2 3.26Å
274	L	81.9	Confident	69.7	Low	95 Å²	95	59.2 Å²	59.2	50%	0.497	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-45.8	177.2	-70.2	170.6	0	0	0	111.7	L270 I271 S272 N277 L278	L270-L274 HydrophobicContact CD2-CD1 4.21Å; L270-L274 PolarHBondContact O-N 3Å; L270-L274 VanDerWaalsContact O-N 3.09Å; I271-L274 WeakPolarHBondContact O-CB 3.41Å; I271-L274 PolarHBondContact O-N 3.41Å; S272-L274 VanDerWaalsContact C-N 3.26Å; S272-L274 PolarHBondContact O-N 3.26Å; L274-N277 PolarHBondContact O-N 3.03Å; L274-L278 HydrophobicContact CB-CD1 4.43Å; L274-L278 WeakPolarHBondContact O-CA 3.4Å; L274-L278 VanDerWaalsContact O-CB 3.23Å; L274-L278 WeakPolarHBondContact O-CB 3.33Å; L274-L278 VanDerWaalsContact O-CD1 3.26Å; L274-L278 WeakPolarHBondContact O-CD1 3.41Å; L274-L278 PolarHBondContact O-N 3.33Å
275	F	80.6	Confident	67.2	Low	72 Å²	72	60.3 Å²	60.3	32%	0.316	34%	0.338	S	S	.	.	H	α-helix	trans	-66.6	-36	176.7	-82.6	-72.3	0	0	0	113.8	I271 S272 W342 L346	I271-F275 HydrophobicContact CG2-CD2 3.8Å; I271-F275 HydrophobicContact CG2-CE2 3.67Å; I271-F275 WeakPolarHBondContact O-CD2 3.26Å; I271-F275 PolarHBondContact O-N 2.91Å; S272-F275 PolarHBondContact O-N 3.47Å; F275-W342 HydrophobicContact CD1-CB 4.35Å; F275-W342 HydrophobicContact CG-CB 4.44Å; F275-L346 HydrophobicContact CD2-CD1 3.41Å; F275-L346 VanDerWaalsContact CD2-CD1 3.41Å; F275-L346 HydrophobicContact CE2-CD1 3.68Å; F275-L346 HydrophobicContact CG-CD1 4.4Å
276	A	75.6	Confident	64.8	Low	4 Å²	4	66 Å²	66	3%	0.033	36%	0.364	C	S	.	.	H	α-helix	trans	-69.1	-31.9	176.8	0	0	0	0	0	113.1	Q200 N204 S272 V273	Q200-A276 PolarHBondContact NE2-O 2.94Å; N204-A276 VanDerWaalsContact OD1-CB 3.28Å; N204-A276 WeakPolarHBondContact OD1-CB 3.45Å; S272-A276 WeakPolarHBondContact O-CB 3.38Å; S272-A276 PolarHBondContact O-N 3.39Å; V273-A276 PolarHBondContact O-N 3Å
277	N	71.5	Confident	62.4	Low	71 Å²	71	67.2 Å²	67.2	38%	0.38	37%	0.373	S	S	.	.	H	α-helix	trans	-112.3	4.8	-174.4	-59.5	-69.4	0	0	0	114.1	N204 V273 L274 P279	N204-N277 PolarHBondContact ND2-OD1 3.33Å; N204-N277 PolarHBondContact OD1-ND2 3.31Å; V273-N277 WeakPolarHBondContact CG1-ND2 3.34Å; V273-N277 WeakPolarHBondContact O-CB 3.3Å; V273-N277 PolarHBondContact O-N 3.15Å; V273-N277 PolarHBondContact O-ND2 3.26Å; L274-N277 PolarHBondContact O-N 3.03Å; N277-P279 WeakPolarHBondContact O-CD 3.38Å
278	L	67.5	Low	59.9	Low	91 Å²	91	67.7 Å²	67.7	48%	0.476	37%	0.373	S	S	.	.			trans	-59.9	110.2	176.9	-135.6	76.3	0	0	0	108.4	L274	L274-L278 HydrophobicContact CB-CD1 4.43Å; L274-L278 WeakPolarHBondContact O-CA 3.4Å; L274-L278 VanDerWaalsContact O-CB 3.23Å; L274-L278 WeakPolarHBondContact O-CB 3.33Å; L274-L278 VanDerWaalsContact O-CD1 3.26Å; L274-L278 WeakPolarHBondContact O-CD1 3.41Å; L274-L278 PolarHBondContact O-N 3.33Å
279	P	54.8	Low	57.3	Low	85 Å²	85	72.6 Å²	72.6	55%	0.552	39%	0.394	S	S	*	.			trans	-66.5	155.6	-175.7	28.3	-35.6	0	0	0	110	N277 I281	N277-P279 WeakPolarHBondContact O-CD 3.38Å; P279-I281 HydrophobicContact CB-CD1 4.25Å; P279-I281 HydrophobicContact CB-CG1 4Å; P279-I281 HydrophobicContact CG-CD1 3.53Å; P279-I281 HydrophobicContact CG-CG1 3.74Å; P279-I281 PolarHBondContact O-N 3.43Å
280	C	47.3	Very low	54.8	Low	64 Å²	64	78.5 Å²	78.5	43%	0.432	42%	0.422	S	S	.	.			trans	-72	49.3	175.3	-70.6	0	0	0	0	112.6	S282	C280-S282 PolarHBondContact O-N 3.46Å; C280-S282 PolarHBondContact O-OG 3.21Å
281	I	37.8	Very low	52.5	Low	117 Å²	117	78.7 Å²	78.7	60%	0.6	42%	0.422	S	S	*	.			trans	-74.4	72	172.3	-57.5	175.4	0	0	0	108.5	P279 K283	P279-I281 HydrophobicContact CB-CD1 4.25Å; P279-I281 HydrophobicContact CB-CG1 4Å; P279-I281 HydrophobicContact CG-CD1 3.53Å; P279-I281 HydrophobicContact CG-CG1 3.74Å; P279-I281 PolarHBondContact O-N 3.43Å; I281-K283 HydrophobicContact CG2-CB 4.07Å; I281-K283 HydrophobicContact CG2-CD 4.24Å; I281-K283 HydrophobicContact CG2-CG 3.75Å; I281-K283 PolarHBondContact O-N 2.91Å
282	S	32.8	Very low	50	Low	62 Å²	62	82.7 Å²	82.7	43%	0.434	44%	0.441	S	S	.	.			trans	-68.7	79.8	147.9	41	0	0	0	0	108.2	C280 S284 S285	C280-S282 PolarHBondContact O-N 3.46Å; C280-S282 PolarHBondContact O-OG 3.21Å; S282-S284 WeakPolarHBondContact CB-OG 3.21Å; S282-S284 PolarHBondContact O-N 3.3Å; S282-S285 PolarHBondContact O-N 3.18Å
283	K	31.8	Very low	47.9	Very low	147 Å²	147	85.8 Å²	85.8	64%	0.639	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	1.4	164.6	-110	-179	178.4	-171.8	0	112.9	I281 S285	I281-K283 HydrophobicContact CG2-CB 4.07Å; I281-K283 HydrophobicContact CG2-CD 4.24Å; I281-K283 HydrophobicContact CG2-CG 3.75Å; I281-K283 PolarHBondContact O-N 2.91Å; K283-S285 VanDerWaalsContact C-N 3.33Å
284	S	32.1	Very low	45.5	Very low	43 Å²	43	88.8 Å²	88.8	30%	0.301	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-0.5	173.2	58.6	0	0	0	0	114.8	S282 H286 S287 I288	S282-S284 WeakPolarHBondContact CB-OG 3.21Å; S282-S284 PolarHBondContact O-N 3.3Å; S284-H286 VanDerWaalsContact C-N 3.33Å; S284-H286 PolarHBondContact O-N 3.39Å; S284-S287 WeakPolarHBondContact CA-OG 3.47Å; S284-S287 VanDerWaalsContact CB-OG 3.3Å; S284-S287 WeakPolarHBondContact CB-OG 3.44Å; S284-S287 PolarHBondContact O-N 3.02Å; S284-S287 PolarHBondContact O-OG 2.95Å; S284-I288 VanDerWaalsContact O-CB 3.3Å; S284-I288 WeakPolarHBondContact O-CB 3.33Å; S284-I288 WeakPolarHBondContact O-CG1 3.4Å; S284-I288 PolarHBondContact O-N 3.47Å
285	S	33.2	Very low	43.2	Very low	73 Å²	73	92.5 Å²	92.5	51%	0.51	49%	0.489	S	S	.	.	H	α-helix	trans	-56	-49.4	168.8	49	0	0	0	0	111.1	S282 K283 Q289	S282-S285 PolarHBondContact O-N 3.18Å; K283-S285 VanDerWaalsContact C-N 3.33Å; S285-Q289 PolarHBondContact O-N 3.47Å
286	H	34.3	Very low	40.9	Very low	121 Å²	121	94.4 Å²	94.4	56%	0.56	51%	0.512	S	S	*	.	H	α-helix	trans	-69	-29.5	173.6	-76.2	-55.8	0	0	0	114	S284 H290	S284-H286 VanDerWaalsContact C-N 3.33Å; S284-H286 PolarHBondContact O-N 3.39Å; H286-H290 PolarHBondContact O-N 3.47Å
287	S	33	Very low	38.9	Very low	53 Å²	53	99.3 Å²	99.3	37%	0.371	55%	0.546	S	S	.	.	H	α-helix	trans	-78.7	-31	177.5	78.7	0	0	0	0	112.9	S284 H290 I291	S284-S287 WeakPolarHBondContact CA-OG 3.47Å; S284-S287 VanDerWaalsContact CB-OG 3.3Å; S284-S287 WeakPolarHBondContact CB-OG 3.44Å; S284-S287 PolarHBondContact O-N 3.02Å; S284-S287 PolarHBondContact O-OG 2.95Å; S287-H290 PolarHBondContact O-N 2.94Å; S287-I291 WeakPolarHBondContact O-CB 2.93Å; S287-I291 WeakPolarHBondContact O-CD1 3.36Å; S287-I291 WeakPolarHBondContact O-CG1 3.24Å; S287-I291 PolarHBondContact O-N 3.18Å
288	I	34.9	Very low	37	Very low	84 Å²	84	99.4 Å²	99.4	43%	0.431	56%	0.563	S	S	.	*	H	α-helix	trans	-72.3	-40.8	177.7	-70.6	166.2	0	0	0	109.8	S284 H290 I291 M292	S284-I288 VanDerWaalsContact O-CB 3.3Å; S284-I288 WeakPolarHBondContact O-CB 3.33Å; S284-I288 WeakPolarHBondContact O-CG1 3.4Å; S284-I288 PolarHBondContact O-N 3.47Å; I288-H290 VanDerWaalsContact C-N 3.33Å; I288-H290 PolarHBondContact O-N 3.19Å; I288-I291 PolarHBondContact O-N 3.41Å; I288-M292 HydrophobicContact CG2-CE 3.84Å; I288-M292 HydrophobicContact CG2-CG 4.48Å; I288-M292 HydrophobicContact CG2-SD 3.96Å; I288-M292 WeakPolarHBondContact O-CB 3.25Å; I288-M292 WeakPolarHBondContact O-CG 3.46Å; I288-M292 PolarHBondContact O-N 2.93Å
289	Q	33.6	Very low	35.3	Very low	131 Å²	131	105 Å²	105	61%	0.612	58%	0.584	S	S	*	*	H	α-helix	trans	-58.5	-42.2	170	-73.9	179	-34.2	0	0	112	S285 M292 S293	S285-Q289 PolarHBondContact O-N 3.47Å; Q289-M292 PolarHBondContact O-N 3.42Å; Q289-S293 PolarHBondContact O-N 2.86Å
290	H	33.6	Very low	34.2	Very low	127 Å²	127	105.9 Å²	105.9	59%	0.588	60%	0.598	S	S	*	*	H	α-helix	trans	-72.6	-23.8	175.2	-93.9	-62.6	0	0	0	115.3	H286 S287 I288 S293 N294	H286-H290 PolarHBondContact O-N 3.47Å; S287-H290 PolarHBondContact O-N 2.94Å; I288-H290 VanDerWaalsContact C-N 3.33Å; I288-H290 PolarHBondContact O-N 3.19Å; H290-S293 WeakPolarHBondContact CA-OG 3.26Å; H290-S293 PolarHBondContact O-OG 2.9Å; H290-S293 VanDerWaalsContact O-OG 3.05Å; H290-N294 WeakPolarHBondContact O-CB 3.5Å
291	I	35.2	Very low	33.4	Very low	101 Å²	101	108.8 Å²	108.8	52%	0.518	62%	0.619	S	S	.	*	H	α-helix	trans	-81	-30.7	173.5	-72.8	164.6	0	0	0	110.7	S287 I288	S287-I291 WeakPolarHBondContact O-CB 2.93Å; S287-I291 WeakPolarHBondContact O-CD1 3.36Å; S287-I291 WeakPolarHBondContact O-CG1 3.24Å; S287-I291 PolarHBondContact O-N 3.18Å; I288-I291 PolarHBondContact O-N 3.41Å
292	M	33.8	Very low	33	Very low	145 Å²	145	112.7 Å²	112.7	71%	0.714	63%	0.632	S	S	*	*	H	α-helix	trans	-72.8	-35.1	171.4	-72	174.5	170.8	0	0	112	I288 Q289 N294	I288-M292 HydrophobicContact CG2-CE 3.84Å; I288-M292 HydrophobicContact CG2-CG 4.48Å; I288-M292 HydrophobicContact CG2-SD 3.96Å; I288-M292 WeakPolarHBondContact O-CB 3.25Å; I288-M292 WeakPolarHBondContact O-CG 3.46Å; I288-M292 PolarHBondContact O-N 2.93Å; Q289-M292 PolarHBondContact O-N 3.42Å; M292-N294 VanDerWaalsContact C-N 3.29Å; M292-N294 PolarHBondContact O-N 3.35Å
293	S	37.3	Very low	32.9	Very low	65 Å²	65	114.8 Å²	114.8	46%	0.455	64%	0.644	S	S	.	*	H	α-helix	trans	-68.3	-24.1	175.6	70.6	0	0	0	0	114.4	Q289 H290	Q289-S293 PolarHBondContact O-N 2.86Å; H290-S293 WeakPolarHBondContact CA-OG 3.26Å; H290-S293 PolarHBondContact O-OG 2.9Å; H290-S293 VanDerWaalsContact O-OG 3.05Å
294	N	33.6	Very low	32.7	Very low	114 Å²	114	114.6 Å²	114.6	61%	0.61	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	9.1	-167.5	-72.5	19.1	0	0	0	114.8	H290 M292 S296	H290-N294 WeakPolarHBondContact O-CB 3.5Å; M292-N294 VanDerWaalsContact C-N 3.29Å; M292-N294 PolarHBondContact O-N 3.35Å; N294-S296 VanDerWaalsContact C-N 3.3Å; N294-S296 PolarHBondContact O-N 3.33Å
295	K	32.8	Very low	32.6	Very low	172 Å²	172	122.8 Å²	122.8	75%	0.748	68%	0.675	S	S	*	*			trans	-87.9	14	177.8	-100.7	-174.2	173.9	-174.5	0	115.3	S297	K295-S297 PolarHBondContact O-N 3.25Å; K295-S297 VanDerWaalsContact O-N 3.1Å
296	S	32.2	Very low	32.3	Very low	113 Å²	113	123.6 Å²	123.6	79%	0.79	68%	0.681	S	S	*	*	S	Bend	trans	-78.6	30.8	176.4	46.7	0	0	0	0	114.6	N294	N294-S296 VanDerWaalsContact C-N 3.3Å; N294-S296 PolarHBondContact O-N 3.33Å
297	S	34.7	Very low	32.2	Very low	107 Å²	107	127.3 Å²	127.3	75%	0.748	70%	0.695	S	S	*	*			trans	-163	161.3	171.3	63.2	0	0	0	0	113	K295	K295-S297 PolarHBondContact O-N 3.25Å; K295-S297 VanDerWaalsContact O-N 3.1Å
298	G	31.1	Very low	32	Very low	72 Å²	72	131.3 Å²	131.3	74%	0.742	71%	0.712	S	S	*	*			trans	99.9	62	152.5	0	0	0	0	0	120
299	K	32.3	Very low	31.9	Very low	210 Å²	210	134 Å²	134	91%	0.913	73%	0.728	S	S	*	*			trans	21.3	109.1	145.4	-64.6	177.8	178.1	177.3	0	120.3
300	A	30	Very low	31.9	Very low	102 Å²	102	132.2 Å²	132.2	84%	0.843	73%	0.73	S	S	*	*				58.4	115.3	123.2	0	0	0	0	0	123.1
301	S	32.6	Very low	31.9	Very low	126 Å²	126	133.2 Å²	133.2	88%	0.881	74%	0.738	S	S	*	*				-149.8	139.9	129.8	60	0	0	0	0	111.3
302	K	28.5	Very low	31.9	Very low	199 Å²	199	135.9 Å²	135.9	87%	0.865	75%	0.753	S	S	*	*			trans	-84.6	172.3	-177.1	-100	177.1	-176.8	179.2	0	111.3
303	P	29.6	Very low	31.9	Very low	105 Å²	105	134.7 Å²	134.7	68%	0.682	75%	0.754	S	S	*	*			cis	-149	168.6	36.7	43.9	-23.8	0	0	0	120.4
304	L	27.7	Very low	31.6	Very low	143 Å²	143	136.3 Å²	136.3	75%	0.749	76%	0.758	S	S	*	*	S	Bend	trans	59.3	127.5	154.4	-65.5	155.7	0	0	0	118.3
305	Y	30.1	Very low	31.6	Very low	215 Å²	215	138.2 Å²	138.2	84%	0.843	77%	0.768	S	S	*	*			cis	-121.3	156.9	8.8	-114.5	-101.5	0	0	0	112.8
306	S	28.6	Very low	31.7	Very low	91 Å²	91	133.9 Å²	133.9	64%	0.636	75%	0.751	S	S	*	*			trans	-92.5	161.7	176.5	57.8	0	0	0	0	112
307	K	30.9	Very low	31.8	Very low	199 Å²	199	133.8 Å²	133.8	87%	0.865	75%	0.745	S	S	*	*			cis	-151.6	128.6	45.1	-100.7	167.1	167.9	176.1	0	108.9
308	N	28.2	Very low	31.8	Very low	136 Å²	136	134.8 Å²	134.8	73%	0.727	74%	0.742	S	S	*	*			cis	88	129.5	42.8	-118.2	86.1	0	0	0	116
309	N	33.2	Very low	32	Very low	140 Å²	140	134.5 Å²	134.5	75%	0.749	73%	0.729	S	S	*	*			trans	84.8	137.9	169.9	-52.3	0.5	0	0	0	117
310	S	34.2	Very low	32.1	Very low	94 Å²	94	130 Å²	130	66%	0.657	71%	0.711	S	S	*	*			cis	-169	137.1	-16.8	45.2	0	0	0	0	112.6
311	I	34.1	Very low	32.5	Very low	149 Å²	149	129.7 Å²	129.7	76%	0.764	70%	0.695	S	S	*	*			trans	53.2	106.1	141.4	-55.4	165.9	0	0	0	117.7
312	D	33.7	Very low	32.7	Very low	157 Å²	157	127 Å²	127	84%	0.84	68%	0.676	S	S	*	*				-163.9	161	104.1	-104.6	-34.5	0	0	0	110.7
313	T	34.6	Very low	33.2	Very low	120 Å²	120	122.5 Å²	122.5	74%	0.736	66%	0.662	S	S	*	*			trans	-115.1	136.3	-166.3	54.5	0	0	0	0	114.4
314	D	32	Very low	34.1	Very low	99 Å²	99	121 Å²	121	53%	0.529	65%	0.65	S	S	.	*				169.6	172.8	127.7	-80.9	-9.3	0	0	0	109.6
315	D	33.7	Very low	35.3	Very low	153 Å²	153	119.5 Å²	119.5	82%	0.818	64%	0.64	S	S	*	*	S	Bend	trans	63.5	48.4	170.4	-57.1	-18.2	0	0	0	120.4
316	Q	33.9	Very low	36.1	Very low	82 Å²	82	112.1 Å²	112.1	38%	0.383	61%	0.613	S	S	.	*			trans	-138	39.1	168.3	-77.1	-163.4	-30	0	0	115.7	N900	Q316-N900 PolarHBondContact NE2-OD1 2.93Å
317	T	34.8	Very low	37.4	Very low	111 Å²	111	110.4 Å²	110.4	68%	0.681	60%	0.601	S	S	*	*	S	Bend	trans	-77.7	-32.8	-176	40	0	0	0	0	115.9	N321	T317-N321 PolarHBondContact O-ND2 3.44Å
318	D	34.7	Very low	38.7	Very low	128 Å²	128	104.4 Å²	104.4	68%	0.684	58%	0.58	S	S	*	*	S	Bend	trans	-94	-29	-167.2	-62.1	-45.7	0	0	0	114.6	H320 N321	D318-H320 VanDerWaalsContact C-N 3.27Å; D318-H320 PolarHBondContact O-N 3.03Å; D318-N321 PolarHBondContact O-N 3.22Å
319	S	34.4	Very low	40	Very low	65 Å²	65	100.1 Å²	100.1	46%	0.455	56%	0.557	S	S	.	*	H	α-helix	trans	-71.4	-17.6	-179.3	58.3	0	0	0	0	114.1	S322	S319-S322 PolarHBondContact O-OG 3.43Å
320	H	34.8	Very low	41.4	Very low	116 Å²	116	98.1 Å²	98.1	54%	0.537	55%	0.546	S	S	.	.	H	α-helix	trans	-81	-26.3	175.2	-94.3	-64.8	0	0	0	113.5	D318 S322 T324	D318-H320 VanDerWaalsContact C-N 3.27Å; D318-H320 PolarHBondContact O-N 3.03Å; H320-S322 PolarHBondContact O-N 2.9Å; H320-T324 WeakPolarHBondContact O-CG2 3.46Å; H320-T324 PolarHBondContact O-N 2.97Å
321	N	37.5	Very low	42.9	Very low	96 Å²	96	98.5 Å²	98.5	51%	0.513	54%	0.54	S	S	.	.	H	α-helix	trans	-66.4	-41.2	-173.4	-76.1	-39.5	0	0	0	112.5	T317 D318 T324 Q325	T317-N321 PolarHBondContact O-ND2 3.44Å; D318-N321 PolarHBondContact O-N 3.22Å; N321-T324 PolarHBondContact O-N 2.81Å; N321-T324 PolarHBondContact O-OG1 3.34Å; N321-Q325 PolarHBondContact O-N 3.49Å
322	S	37.3	Very low	44.4	Very low	68 Å²	68	93.3 Å²	93.3	48%	0.476	52%	0.515	S	S	.	.	H	α-helix	trans	-57.8	-51.4	178.2	51.6	0	0	0	0	112.6	S319 H320 T324 Q325 E326	S319-S322 PolarHBondContact O-OG 3.43Å; H320-S322 PolarHBondContact O-N 2.9Å; S322-T324 VanDerWaalsContact C-N 3.29Å; S322-T324 PolarHBondContact O-N 3.4Å; S322-Q325 WeakPolarHBondContact O-CB 3.25Å; S322-Q325 PolarHBondContact O-N 2.9Å; S322-Q325 VanDerWaalsContact O-N 3.07Å; S322-E326 PolarHBondContact O-N 3.06Å
323	N	38.8	Very low	45.9	Very low	106 Å²	106	86.3 Å²	86.3	57%	0.567	48%	0.479	S	S	*	.	H	α-helix	trans	-62.3	-34.9	177.8	-71.4	-6.7	0	0	0	112.1	S327	N323-S327 PolarHBondContact O-N 3.12Å
324	T	48.8	Very low	47.5	Very low	72 Å²	72	86.7 Å²	86.7	44%	0.442	47%	0.473	S	S	.	.	H	α-helix	trans	-67.8	-39	173	61.4	0	0	0	0	112.2	H320 N321 S322 S327 V328	H320-T324 WeakPolarHBondContact O-CG2 3.46Å; H320-T324 PolarHBondContact O-N 2.97Å; N321-T324 PolarHBondContact O-N 2.81Å; N321-T324 PolarHBondContact O-OG1 3.34Å; S322-T324 VanDerWaalsContact C-N 3.29Å; S322-T324 PolarHBondContact O-N 3.4Å; T324-S327 PolarHBondContact O-N 3.42Å; T324-S327 PolarHBondContact O-OG 2.96Å; T324-V328 WeakPolarHBondContact O-CG2 3.41Å; T324-V328 PolarHBondContact O-N 3.12Å
325	Q	52.3	Low	49.5	Very low	113 Å²	113	86 Å²	86	53%	0.528	47%	0.465	S	S	.	.	H	α-helix	trans	-64	-47.8	178.9	-170	66	19.5	0	0	111.5	N321 S322 S327 V328 D329	N321-Q325 PolarHBondContact O-N 3.49Å; S322-Q325 WeakPolarHBondContact O-CB 3.25Å; S322-Q325 PolarHBondContact O-N 2.9Å; S322-Q325 VanDerWaalsContact O-N 3.07Å; Q325-S327 VanDerWaalsContact C-N 3.27Å; Q325-S327 PolarHBondContact O-N 3.49Å; Q325-V328 PolarHBondContact O-N 3.36Å; Q325-V328 VanDerWaalsContact O-N 3.08Å; Q325-D329 PolarHBondContact O-N 3.13Å
326	E	47.4	Very low	51.3	Low	60 Å²	60	79.7 Å²	79.7	28%	0.28	43%	0.431	S	S	.	.	H	α-helix	trans	-56.8	-40.6	174.4	-68.9	-163.8	160.6	0	0	112	P183 S322 D329 L330	P183-E326 VanDerWaalsContact CG-OE1 3.28Å; P183-E326 WeakPolarHBondContact CG-OE1 3.44Å; S322-E326 PolarHBondContact O-N 3.06Å; E326-D329 PolarHBondContact O-N 2.8Å; E326-L330 WeakPolarHBondContact O-CB 3.37Å; E326-L330 PolarHBondContact O-N 2.97Å
327	S	55.4	Low	53.1	Low	55 Å²	55	81.3 Å²	81.3	39%	0.385	43%	0.434	S	S	.	.	H	α-helix	trans	-65.7	-37.8	177	82.8	0	0	0	0	112.7	N323 T324 Q325 I331	N323-S327 PolarHBondContact O-N 3.12Å; T324-S327 PolarHBondContact O-N 3.42Å; T324-S327 PolarHBondContact O-OG 2.96Å; Q325-S327 VanDerWaalsContact C-N 3.27Å; Q325-S327 PolarHBondContact O-N 3.49Å; S327-I331 WeakPolarHBondContact O-CB 3.49Å; S327-I331 WeakPolarHBondContact O-CD1 3.33Å; S327-I331 WeakPolarHBondContact O-CG1 3.4Å; S327-I331 PolarHBondContact O-N 3.34Å
328	V	58.1	Low	55.2	Low	72 Å²	72	83.3 Å²	83.3	44%	0.436	43%	0.429	S	S	.	.	H	α-helix	trans	-68.1	-45.2	177.5	167.7	0	0	0	0	110.6	T324 Q325 I331 V332	T324-V328 WeakPolarHBondContact O-CG2 3.41Å; T324-V328 PolarHBondContact O-N 3.12Å; Q325-V328 PolarHBondContact O-N 3.36Å; Q325-V328 VanDerWaalsContact O-N 3.08Å; V328-I331 PolarHBondContact O-N 3.34Å; V328-V332 HydrophobicContact CG1-CG2 4.46Å; V328-V332 WeakPolarHBondContact O-CG2 3.18Å; V328-V332 PolarHBondContact O-N 2.93Å
329	D	57.3	Low	57.2	Low	46 Å²	46	78.3 Å²	78.3	25%	0.246	40%	0.402	C	S	.	.	H	α-helix	trans	-62.5	-43	177.3	-88	-51.1	0	0	0	111.8	Y189 Q325 E326 I331 V332 A333	Y189-D329 HydrophobicContact CD1-CB 4.46Å; Y189-D329 HydrophobicContact CD2-CB 4.38Å; Y189-D329 HydrophobicContact CE1-CB 3.86Å; Y189-D329 HydrophobicContact CE2-CB 3.79Å; Y189-D329 WeakPolarHBondContact CE2-O 3.47Å; Y189-D329 VanDerWaalsContact CZ-CB 3.5Å; Y189-D329 VanDerWaalsContact CZ-OD1 3.24Å; Y189-D329 PolarHBondContact OH-OD1 3.2Å; Q325-D329 PolarHBondContact O-N 3.13Å; E326-D329 PolarHBondContact O-N 2.8Å; D329-I331 PolarHBondContact O-N 3.09Å; D329-V332 PolarHBondContact O-N 3.45Å; D329-A333 PolarHBondContact O-N 2.69Å
330	L	61.7	Low	59.3	Low	99 Å²	99	75.7 Å²	75.7	52%	0.518	38%	0.383	S	S	.	.	H	α-helix	trans	-59.3	-44.8	171.2	-87	163.3	0	0	0	112.5	E326 V332 A333 Q334	E326-L330 WeakPolarHBondContact O-CB 3.37Å; E326-L330 PolarHBondContact O-N 2.97Å; L330-V332 VanDerWaalsContact C-N 3.34Å; L330-V332 PolarHBondContact O-N 3.05Å; L330-A333 PolarHBondContact O-N 2.94Å; L330-Q334 WeakPolarHBondContact O-CB 3.5Å; L330-Q334 VanDerWaalsContact O-CG 3.28Å; L330-Q334 WeakPolarHBondContact O-CG 3.36Å; L330-Q334 PolarHBondContact O-N 3.23Å
331	I	65.6	Low	61.3	Low	102 Å²	102	79.2 Å²	79.2	52%	0.523	39%	0.391	S	S	.	.	H	α-helix	trans	-63.5	-39.2	176.4	-72.1	164.6	0	0	0	111.1	S327 V328 D329 Q334 K335	S327-I331 WeakPolarHBondContact O-CB 3.49Å; S327-I331 WeakPolarHBondContact O-CD1 3.33Å; S327-I331 WeakPolarHBondContact O-CG1 3.4Å; S327-I331 PolarHBondContact O-N 3.34Å; V328-I331 PolarHBondContact O-N 3.34Å; D329-I331 PolarHBondContact O-N 3.09Å; I331-Q334 PolarHBondContact O-N 3.34Å; I331-K335 VanDerWaalsContact O-CB 3.22Å; I331-K335 WeakPolarHBondContact O-CB 3.42Å; I331-K335 PolarHBondContact O-N 3.3Å
332	V	65.6	Low	63.4	Low	39 Å²	39	81.9 Å²	81.9	24%	0.236	39%	0.394	C	S	.	.	H	α-helix	trans	-64.3	-47.4	175.8	167.7	0	0	0	0	111	V328 D329 L330 Q334 K335 L336	V328-V332 HydrophobicContact CG1-CG2 4.46Å; V328-V332 WeakPolarHBondContact O-CG2 3.18Å; V328-V332 PolarHBondContact O-N 2.93Å; D329-V332 PolarHBondContact O-N 3.45Å; L330-V332 VanDerWaalsContact C-N 3.34Å; L330-V332 PolarHBondContact O-N 3.05Å; V332-Q334 PolarHBondContact O-N 2.89Å; V332-K335 PolarHBondContact O-N 3.5Å; V332-L336 WeakPolarHBondContact O-CB 3.37Å; V332-L336 PolarHBondContact O-N 3.02Å
333	A	64.5	Low	65.5	Low	11 Å²	11	78.6 Å²	78.6	9%	0.091	37%	0.372	C	S	.	.	H	α-helix	trans	-63.5	-40.4	176.4	0	0	0	0	0	112.8	Y189 L196 D329 L330 R337	Y189-A333 HydrophobicContact CD2-CB 4.44Å; Y189-A333 HydrophobicContact CE2-CB 3.91Å; L196-A333 HydrophobicContact CD1-CB 4.32Å; D329-A333 PolarHBondContact O-N 2.69Å; L330-A333 PolarHBondContact O-N 2.94Å; A333-R337 VanDerWaalsContact O-CB 3.22Å; A333-R337 WeakPolarHBondContact O-CB 3.41Å; A333-R337 PolarHBondContact O-N 3.1Å
334	Q	68.7	Low	67.3	Low	127 Å²	127	75.3 Å²	75.3	59%	0.593	35%	0.353	S	S	*	.	H	α-helix	trans	-63.3	-43.4	173.9	-73.3	-179.5	19.5	0	0	111.8	L330 I331 V332 R337 R338	L330-Q334 WeakPolarHBondContact O-CB 3.5Å; L330-Q334 VanDerWaalsContact O-CG 3.28Å; L330-Q334 WeakPolarHBondContact O-CG 3.36Å; L330-Q334 PolarHBondContact O-N 3.23Å; I331-Q334 PolarHBondContact O-N 3.34Å; V332-Q334 PolarHBondContact O-N 2.89Å; Q334-R337 PolarHBondContact O-N 3.11Å; Q334-R338 WeakPolarHBondContact O-CB 3.35Å; Q334-R338 PolarHBondContact O-N 3.11Å
335	K	73.8	Confident	68.7	Low	85 Å²	85	73.4 Å²	73.4	37%	0.37	35%	0.348	S	S	.	.	H	α-helix	trans	-65.5	-42.1	178.1	-171.1	175.9	-179.6	-179	0	111.7	I331 V332 R338 N339	I331-K335 VanDerWaalsContact O-CB 3.22Å; I331-K335 WeakPolarHBondContact O-CB 3.42Å; I331-K335 PolarHBondContact O-N 3.3Å; V332-K335 PolarHBondContact O-N 3.5Å; K335-R338 WeakPolarHBondContact O-CB 3.5Å; K335-R338 PolarHBondContact O-N 3.43Å; K335-N339 PolarHBondContact O-N 3.39Å; K335-N339 PolarHBondContact O-OD1 3.4Å
336	L	71.2	Confident	70.2	Confident	20 Å²	20	69.4 Å²	69.4	11%	0.105	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-49.2	173.3	-177.6	61.7	0	0	0	111.2	Y193 L196 V332 R338 N339 L340	Y193-L336 HydrophobicContact CE2-CD2 4.35Å; L196-L336 HydrophobicContact CB-CD2 3.97Å; L196-L336 HydrophobicContact CD1-CD2 4.37Å; V332-L336 WeakPolarHBondContact O-CB 3.37Å; V332-L336 PolarHBondContact O-N 3.02Å; L336-R338 PolarHBondContact O-N 2.92Å; L336-N339 PolarHBondContact O-N 2.88Å; L336-N339 VanDerWaalsContact O-N 3.13Å; L336-L340 HydrophobicContact CD1-CD1 3.59Å; L336-L340 HydrophobicContact CG-CD1 3.96Å; L336-L340 VanDerWaalsContact O-CD1 3.29Å; L336-L340 WeakPolarHBondContact O-CD1 3.36Å; L336-L340 PolarHBondContact O-N 3.2Å
337	R	73.6	Confident	71.7	Confident	116 Å²	116	66.6 Å²	66.6	44%	0.438	32%	0.317	S	S	.	.	H	α-helix	trans	-56.3	-36.1	174.8	-175.4	-177.4	-73.9	-173.1	-3.1	112	N192 L196 A333 Q334 R341	N192-R337 PolarHBondContact OD1-NH2 3.17Å; L196-R337 HydrophobicContact CD2-CB 4Å; L196-R337 HydrophobicContact CD2-CG 4.35Å; A333-R337 VanDerWaalsContact O-CB 3.22Å; A333-R337 WeakPolarHBondContact O-CB 3.41Å; A333-R337 PolarHBondContact O-N 3.1Å; Q334-R337 PolarHBondContact O-N 3.11Å; R337-R341 WeakPolarHBondContact O-CG 3.38Å; R337-R341 PolarHBondContact O-N 3.37Å
338	R	76.8	Confident	72.6	Confident	153 Å²	153	66.7 Å²	66.7	58%	0.577	31%	0.309	S	S	*	.	H	α-helix	trans	-70.4	-46.4	174.6	-165.7	176.3	75.2	175.1	5.8	112.1	Q334 K335 L336 L340 R341 W342	Q334-R338 WeakPolarHBondContact O-CB 3.35Å; Q334-R338 PolarHBondContact O-N 3.11Å; K335-R338 WeakPolarHBondContact O-CB 3.5Å; K335-R338 PolarHBondContact O-N 3.43Å; L336-R338 PolarHBondContact O-N 2.92Å; R338-L340 PolarHBondContact O-N 3.33Å; R338-R341 WeakPolarHBondContact O-CB 3.32Å; R338-R341 PolarHBondContact O-N 3.35Å; R338-W342 VanDerWaalsContact O-CD1 3.23Å; R338-W342 PolarHBondContact O-N 3.04Å; R338-W342 VanDerWaalsContact O-N 3.15Å
339	N	78.7	Confident	73.7	Confident	23 Å²	23	67.2 Å²	67.2	12%	0.123	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-42.3	179.1	-76.8	14.5	0	0	0	112.3	K335 L336 R341 W342 S343	K335-N339 PolarHBondContact O-N 3.39Å; K335-N339 PolarHBondContact O-OD1 3.4Å; L336-N339 PolarHBondContact O-N 2.88Å; L336-N339 VanDerWaalsContact O-N 3.13Å; N339-R341 VanDerWaalsContact C-N 3.32Å; N339-R341 PolarHBondContact O-N 2.95Å; N339-W342 PolarHBondContact O-N 3.27Å; N339-S343 PolarHBondContact O-N 3.29Å
340	L	76.8	Confident	74.8	Confident	11 Å²	11	65 Å²	65	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-58.6	-42.5	174	-92.2	73.6	0	0	0	111.6	L196 R199 Q200 I203 L336 R338 W342 S343 H344	L196-L340 HydrophobicContact CD2-CD2 4.48Å; R199-L340 HydrophobicContact CB-CD2 3.79Å; Q200-L340 HydrophobicContact CB-CD1 4.46Å; Q200-L340 HydrophobicContact CB-CD2 4.44Å; I203-L340 HydrophobicContact CD1-CB 4.33Å; I203-L340 HydrophobicContact CD1-CD2 4.08Å; I203-L340 HydrophobicContact CD1-CG 4.1Å; L336-L340 HydrophobicContact CD1-CD1 3.59Å; L336-L340 HydrophobicContact CG-CD1 3.96Å; L336-L340 VanDerWaalsContact O-CD1 3.29Å; L336-L340 WeakPolarHBondContact O-CD1 3.36Å; L336-L340 PolarHBondContact O-N 3.2Å; R338-L340 PolarHBondContact O-N 3.33Å; L340-W342 PolarHBondContact O-N 3.32Å; L340-S343 PolarHBondContact O-N 3.23Å; L340-H344 VanDerWaalsContact O-CB 3.27Å; L340-H344 WeakPolarHBondContact O-CB 3.47Å; L340-H344 PolarHBondContact O-N 3.05Å
341	R	78.5	Confident	75.5	Confident	189 Å²	189	61.8 Å²	61.8	71%	0.713	28%	0.282	S	S	*	.	H	α-helix	trans	-61	-41.8	176.3	-76	178.8	174.3	-174.1	-1.4	112.7	R337 R338 N339 H344 G345	R337-R341 WeakPolarHBondContact O-CG 3.38Å; R337-R341 PolarHBondContact O-N 3.37Å; R338-R341 WeakPolarHBondContact O-CB 3.32Å; R338-R341 PolarHBondContact O-N 3.35Å; N339-R341 VanDerWaalsContact C-N 3.32Å; N339-R341 PolarHBondContact O-N 2.95Å; R341-H344 PolarHBondContact O-N 3.27Å; R341-G345 PolarHBondContact O-N 3Å
342	W	80.4	Confident	76	Confident	152 Å²	152	61 Å²	61	58%	0.576	28%	0.278	S	S	*	.	H	α-helix	trans	-65.4	-47.4	176.1	-76.4	107.4	0	0	0	112.3	F275 R338 N339 L340 H344 G345 L346	F275-W342 HydrophobicContact CD1-CB 4.35Å; F275-W342 HydrophobicContact CG-CB 4.44Å; R338-W342 VanDerWaalsContact O-CD1 3.23Å; R338-W342 PolarHBondContact O-N 3.04Å; R338-W342 VanDerWaalsContact O-N 3.15Å; N339-W342 PolarHBondContact O-N 3.27Å; L340-W342 PolarHBondContact O-N 3.32Å; W342-H344 VanDerWaalsContact C-N 3.28Å; W342-H344 PolarHBondContact O-N 3.2Å; W342-G345 PolarHBondContact O-N 3Å; W342-L346 WeakPolarHBondContact O-CG 3.28Å; W342-L346 PolarHBondContact O-N 2.98Å
343	S	81.2	Confident	76.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.7	-42.5	175	-178.7	0	0	0	0	112.1	I207 S272 N339 L340 S347	I207-S343 WeakPolarHBondContact CD1-OG 3.3Å; S272-S343 PolarHBondContact O-OG 3.02Å; N339-S343 PolarHBondContact O-N 3.29Å; L340-S343 PolarHBondContact O-N 3.23Å; S343-S347 WeakPolarHBondContact O-CB 3.46Å; S343-S347 PolarHBondContact O-N 3.41Å
344	H	77.3	Confident	77.3	Confident	37 Å²	37	62.5 Å²	62.5	17%	0.171	28%	0.281	C	S	.	.	H	α-helix	trans	-65.6	-45.1	179.3	-157.8	-50.6	0	0	0	111.5	L340 R341 W342 S347 Y348 F437	L340-H344 VanDerWaalsContact O-CB 3.27Å; L340-H344 WeakPolarHBondContact O-CB 3.47Å; L340-H344 PolarHBondContact O-N 3.05Å; R341-H344 PolarHBondContact O-N 3.27Å; W342-H344 VanDerWaalsContact C-N 3.28Å; W342-H344 PolarHBondContact O-N 3.2Å; H344-S347 PolarHBondContact O-N 3.35Å; H344-S347 PolarHBondContact O-OG 2.89Å; H344-Y348 AromaticContact CE1-CE2 3.56Å; H344-Y348 AromaticContact CE1-CZ 3.5Å; H344-Y348 PolarHBondContact CE1-OH 3.25Å; H344-Y348 AromaticContact ND1-CD2 3.81Å; H344-Y348 AromaticContact ND1-CE2 3.27Å; H344-Y348 VanDerWaalsContact ND1-CE2 3.27Å; H344-Y348 WeakPolarHBondContact ND1-CE2 3.4Å; H344-Y348 AromaticContact ND1-CZ 3.68Å; H344-Y348 WeakPolarHBondContact O-CD2 3.26Å; H344-Y348 PolarHBondContact O-N 2.96Å; H344-F437 AromaticContact CE1-CD1 3.59Å; H344-F437 AromaticContact CE1-CE1 3.28Å; H344-F437 WeakPolarHBondContact CE1-CE1 3.48Å; H344-F437 AromaticContact NE2-CE1 3.41Å; H344-F437 WeakPolarHBondContact NE2-CE1 3.31Å
345	G	78.7	Confident	77.4	Confident	32 Å²	32	58.3 Å²	58.3	33%	0.33	26%	0.262	S	S	.	.	H	α-helix	trans	-61.9	-42.8	175.9	0	0	0	0	0	113.4	R341 W342 Y348 I349	R341-G345 PolarHBondContact O-N 3Å; W342-G345 PolarHBondContact O-N 3Å; G345-Y348 WeakPolarHBondContact O-CB 3.34Å; G345-Y348 PolarHBondContact O-N 3.29Å; G345-I349 WeakPolarHBondContact O-CG1 3.27Å; G345-I349 PolarHBondContact O-N 3.29Å
346	L	82.5	Confident	77.4	Confident	28 Å²	28	57.2 Å²	57.2	15%	0.147	26%	0.26	C	S	.	.	H	α-helix	trans	-65.9	-39	176.9	-69.8	166.3	0	0	0	112.1	L268 I271 S272 F275 W342 Y348 I349 A350	L268-L346 HydrophobicContact CD2-CD2 3.79Å; I271-L346 HydrophobicContact CG2-CD1 3.87Å; S272-L346 WeakPolarHBondContact OG-CB 3.46Å; F275-L346 HydrophobicContact CD2-CD1 3.41Å; F275-L346 VanDerWaalsContact CD2-CD1 3.41Å; F275-L346 HydrophobicContact CE2-CD1 3.68Å; F275-L346 HydrophobicContact CG-CD1 4.4Å; W342-L346 WeakPolarHBondContact O-CG 3.28Å; W342-L346 PolarHBondContact O-N 2.98Å; L346-Y348 VanDerWaalsContact C-N 3.3Å; L346-Y348 PolarHBondContact O-N 2.9Å; L346-I349 PolarHBondContact O-N 2.73Å; L346-A350 PolarHBondContact O-N 2.84Å
347	S	79.6	Confident	77.5	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.014	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-35.8	175.9	75.4	0	0	0	0	112.6	S272 S343 H344 A350 C351	S272-S347 PolarHBondContact OG-N 2.74Å; S343-S347 WeakPolarHBondContact O-CB 3.46Å; S343-S347 PolarHBondContact O-N 3.41Å; H344-S347 PolarHBondContact O-N 3.35Å; H344-S347 PolarHBondContact O-OG 2.89Å; S347-A350 PolarHBondContact O-N 3.16Å; S347-C351 PolarHBondContact O-N 2.79Å; S347-C351 PolarHBondContact O-SG 3.03Å
348	Y	74.1	Confident	77.2	Confident	56 Å²	56	53.1 Å²	53.1	22%	0.22	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-44.8	171.9	-74.6	-49.8	0	0	0	112.9	H344 G345 L346 A350 C351 I352 F437	H344-Y348 AromaticContact CE1-CE2 3.56Å; H344-Y348 AromaticContact CE1-CZ 3.5Å; H344-Y348 PolarHBondContact CE1-OH 3.25Å; H344-Y348 AromaticContact ND1-CD2 3.81Å; H344-Y348 AromaticContact ND1-CE2 3.27Å; H344-Y348 VanDerWaalsContact ND1-CE2 3.27Å; H344-Y348 WeakPolarHBondContact ND1-CE2 3.4Å; H344-Y348 AromaticContact ND1-CZ 3.68Å; H344-Y348 WeakPolarHBondContact O-CD2 3.26Å; H344-Y348 PolarHBondContact O-N 2.96Å; G345-Y348 WeakPolarHBondContact O-CB 3.34Å; G345-Y348 PolarHBondContact O-N 3.29Å; L346-Y348 VanDerWaalsContact C-N 3.3Å; L346-Y348 PolarHBondContact O-N 2.9Å; Y348-A350 VanDerWaalsContact C-N 3.27Å; Y348-A350 PolarHBondContact O-N 3.29Å; Y348-C351 PolarHBondContact O-N 2.96Å; Y348-C351 VanDerWaalsContact O-N 3.15Å; Y348-I352 WeakPolarHBondContact O-CG1 3.16Å; Y348-I352 PolarHBondContact O-N 2.89Å; Y348-F437 HydrophobicContact CE1-CB 3.8Å; Y348-F437 HydrophobicContact CE1-CD1 4.19Å; Y348-F437 AromaticContact CE1-CD2 3.99Å; Y348-F437 HydrophobicContact CE1-CD2 3.99Å; Y348-F437 AromaticContact CE1-CG 3.73Å; Y348-F437 HydrophobicContact CE1-CG 3.73Å; Y348-F437 AromaticContact CZ-CG 3.98Å; Y348-F437 WeakPolarHBondContact OH-CB 3.33Å; Y348-F437 VanDerWaalsContact OH-CD1 3.28Å; Y348-F437 WeakPolarHBondContact OH-CD1 3.43Å; Y348-F437 WeakPolarHBondContact OH-CG 3.23Å; Y348-F437 PolarHBondContact OH-O 3.4Å
349	I	80.4	Confident	76.7	Confident	84 Å²	84	48.4 Å²	48.4	43%	0.431	23%	0.232	S	C	.	.	H	α-helix	trans	-62.6	-39.5	179.2	-60.2	166	0	0	0	109.8	L268 G345 L346 I352 L353	L268-I349 HydrophobicContact CD1-CB 4.46Å; L268-I349 HydrophobicContact CD1-CG2 3.83Å; G345-I349 WeakPolarHBondContact O-CG1 3.27Å; G345-I349 PolarHBondContact O-N 3.29Å; L346-I349 PolarHBondContact O-N 2.73Å; I349-I352 PolarHBondContact O-N 3.41Å; I349-L353 HydrophobicContact CG2-CD1 4.08Å; I349-L353 WeakPolarHBondContact O-CG 3.39Å; I349-L353 PolarHBondContact O-N 3.32Å
350	A	81.4	Confident	75.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-43.2	173.2	0	0	0	0	0	112.8	S265 L268 L269 L346 S347 Y348 L353 F354	S265-A350 PolarHBondContact OG-O 2.99Å; L268-A350 HydrophobicContact CB-CB 3.82Å; L269-A350 HydrophobicContact CD2-CB 3.9Å; L269-A350 HydrophobicContact CG-CB 3.72Å; L346-A350 PolarHBondContact O-N 2.84Å; S347-A350 PolarHBondContact O-N 3.16Å; Y348-A350 VanDerWaalsContact C-N 3.27Å; Y348-A350 PolarHBondContact O-N 3.29Å; A350-L353 PolarHBondContact O-N 2.9Å; A350-F354 WeakPolarHBondContact O-CB 3.35Å; A350-F354 PolarHBondContact O-N 3.31Å
351	C	76	Confident	75.1	Confident	31 Å²	31	53 Å²	53	21%	0.209	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-39	175	-68.6	0	0	0	0	112.6	S347 Y348 F354 I355	S347-C351 PolarHBondContact O-N 2.79Å; S347-C351 PolarHBondContact O-SG 3.03Å; Y348-C351 PolarHBondContact O-N 2.96Å; Y348-C351 VanDerWaalsContact O-N 3.15Å; C351-F354 WeakPolarHBondContact O-CB 3.42Å; C351-F354 PolarHBondContact O-N 3.02Å; C351-I355 WeakPolarHBondContact O-CD1 3.29Å; C351-I355 VanDerWaalsContact O-CG1 3.3Å; C351-I355 WeakPolarHBondContact O-CG1 3.49Å; C351-I355 PolarHBondContact O-N 3.44Å
352	I	76.4	Confident	74	Confident	86 Å²	86	47 Å²	47	44%	0.441	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-43.6	175.7	-68	164.3	0	0	0	110.7	Y348 I349 F354 I355 L356	Y348-I352 WeakPolarHBondContact O-CG1 3.16Å; Y348-I352 PolarHBondContact O-N 2.89Å; I349-I352 PolarHBondContact O-N 3.41Å; I352-F354 VanDerWaalsContact C-N 3.32Å; I352-F354 PolarHBondContact O-N 2.85Å; I352-I355 PolarHBondContact O-N 3.3Å; I352-L356 HydrophobicContact CG2-CD1 4.22Å; I352-L356 WeakPolarHBondContact O-CG 3.5Å; I352-L356 PolarHBondContact O-N 2.87Å
353	L	79.8	Confident	72.7	Confident	29 Å²	29	44.3 Å²	44.3	15%	0.152	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-33.7	175.1	-70.3	163	0	0	0	112.6	L261 L268 I349 A350 L356 A357	L261-L353 HydrophobicContact CD2-CD2 3.71Å; L268-L353 HydrophobicContact CD1-CD1 3.32Å; I349-L353 HydrophobicContact CG2-CD1 4.08Å; I349-L353 WeakPolarHBondContact O-CG 3.39Å; I349-L353 PolarHBondContact O-N 3.32Å; A350-L353 PolarHBondContact O-N 2.9Å; L353-L356 HydrophobicContact CD2-CD1 4.48Å; L353-L356 PolarHBondContact O-N 2.86Å; L353-A357 WeakPolarHBondContact O-CB 3.47Å; L353-A357 PolarHBondContact O-N 2.79Å
354	F	77.3	Confident	71.4	Confident	51 Å²	51	47.7 Å²	47.7	22%	0.224	25%	0.252	C	S	.	.	H	α-helix	trans	-66.4	-38.1	173.1	-176.4	-95.4	0	0	0	112.5	V213 C214 L217 L262 A350 C351 I352 A357 N358	V213-F354 HydrophobicContact CG1-CE2 4.24Å; V213-F354 HydrophobicContact CG1-CZ 3.93Å; C214-F354 WeakPolarHBondContact SG-CD2 3.35Å; L217-F354 HydrophobicContact CD1-CE2 3.51Å; L217-F354 HydrophobicContact CD1-CZ 3.57Å; L262-F354 HydrophobicContact CD2-CD2 4.11Å; L262-F354 HydrophobicContact CD2-CE2 4.27Å; A350-F354 WeakPolarHBondContact O-CB 3.35Å; A350-F354 PolarHBondContact O-N 3.31Å; C351-F354 WeakPolarHBondContact O-CB 3.42Å; C351-F354 PolarHBondContact O-N 3.02Å; I352-F354 VanDerWaalsContact C-N 3.32Å; I352-F354 PolarHBondContact O-N 2.85Å; F354-A357 PolarHBondContact O-N 3.47Å; F354-N358 PolarHBondContact O-N 2.94Å; F354-N358 PolarHBondContact O-ND2 3.36Å
355	I	71.2	Confident	70.2	Confident	40 Å²	40	49.1 Å²	49.1	21%	0.205	27%	0.265	C	S	.	.	H	α-helix	trans	-64.7	-49.2	172.6	-66.6	158.2	0	0	0	109.6	C351 I352 A357 N358 L359 I434	C351-I355 WeakPolarHBondContact O-CD1 3.29Å; C351-I355 VanDerWaalsContact O-CG1 3.3Å; C351-I355 WeakPolarHBondContact O-CG1 3.49Å; C351-I355 PolarHBondContact O-N 3.44Å; I352-I355 PolarHBondContact O-N 3.3Å; I355-A357 VanDerWaalsContact C-N 3.27Å; I355-A357 PolarHBondContact O-N 3.39Å; I355-N358 PolarHBondContact O-N 3.23Å; I355-L359 HydrophobicContact CG2-CD1 4.18Å; I355-L359 VanDerWaalsContact O-CD1 3.27Å; I355-L359 WeakPolarHBondContact O-CD1 3.49Å; I355-L359 PolarHBondContact O-N 3.46Å; I355-I434 HydrophobicContact CD1-CD1 4.11Å
356	L	73.1	Confident	68.9	Low	62 Å²	62	53.7 Å²	53.7	33%	0.325	28%	0.278	S	S	.	.	H	α-helix	trans	-59.2	-35.4	176.8	-70.3	170.3	0	0	0	112.8	L261 I352 L353 N358 L359 W361	L261-L356 HydrophobicContact CD1-CB 4.19Å; I352-L356 HydrophobicContact CG2-CD1 4.22Å; I352-L356 WeakPolarHBondContact O-CG 3.5Å; I352-L356 PolarHBondContact O-N 2.87Å; L353-L356 HydrophobicContact CD2-CD1 4.48Å; L353-L356 PolarHBondContact O-N 2.86Å; L356-N358 PolarHBondContact O-N 3.36Å; L356-L359 PolarHBondContact O-N 2.88Å; L356-W361 HydrophobicContact CD2-CZ2 4.45Å; L356-W361 PolarHBondContact O-NE1 3.47Å
357	A	73.2	Confident	67.4	Low	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15	174.3	0	0	0	0	0	114	R258 L261 L262 L353 F354 I355	R258-A357 WeakPolarHBondContact CD-O 3.27Å; R258-A357 VanDerWaalsContact CG-O 3.31Å; R258-A357 WeakPolarHBondContact CG-O 3.42Å; R258-A357 PolarHBondContact NE-O 2.93Å; L261-A357 HydrophobicContact CB-CB 3.77Å; L262-A357 HydrophobicContact CD2-CB 3.86Å; L262-A357 HydrophobicContact CG-CB 3.9Å; L353-A357 WeakPolarHBondContact O-CB 3.47Å; L353-A357 PolarHBondContact O-N 2.79Å; F354-A357 PolarHBondContact O-N 3.47Å; I355-A357 VanDerWaalsContact C-N 3.27Å; I355-A357 PolarHBondContact O-N 3.39Å
358	N	68.4	Low	65.8	Low	49 Å²	49	62.4 Å²	62.4	26%	0.262	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	2.8	-179	-71.1	-55.2	0	0	0	114	R258 F354 I355 L356	R258-N358 PolarHBondContact NH2-OD1 3.39Å; F354-N358 PolarHBondContact O-N 2.94Å; F354-N358 PolarHBondContact O-ND2 3.36Å; I355-N358 PolarHBondContact O-N 3.23Å; L356-N358 PolarHBondContact O-N 3.36Å
359	L	65.6	Low	64.6	Low	54 Å²	54	63.8 Å²	63.8	28%	0.283	35%	0.345	S	S	.	.	S	Bend	trans	-71	146.6	170.5	-96.1	69.1	0	0	0	112	I355 L356 W361 L364	I355-L359 HydrophobicContact CG2-CD1 4.18Å; I355-L359 VanDerWaalsContact O-CD1 3.27Å; I355-L359 WeakPolarHBondContact O-CD1 3.49Å; I355-L359 PolarHBondContact O-N 3.46Å; L356-L359 PolarHBondContact O-N 2.88Å; L359-W361 VanDerWaalsContact C-N 3.26Å; L359-W361 PolarHBondContact O-N 2.86Å; L359-L364 HydrophobicContact CD2-CD1 4.49Å
360	P	62.6	Low	62.8	Low	53 Å²	53	68.2 Å²	68.2	34%	0.344	36%	0.362	S	S	.	.			trans	-80.3	65	-179.8	33.4	-36.8	0	0	0	112.6	S362 K363 L364	P360-S362 VanDerWaalsContact C-N 3.26Å; P360-S362 PolarHBondContact O-N 3.47Å; P360-S362 VanDerWaalsContact O-N 3.1Å; P360-K363 PolarHBondContact O-N 3.46Å; P360-L364 PolarHBondContact O-N 2.82Å
361	W	60.1	Low	61	Low	77 Å²	77	73.5 Å²	73.5	29%	0.292	39%	0.394	S	S	.	.	H	α-helix	trans	-48.8	-38.7	-175.7	-68.3	94.4	0	0	0	114.7	V254 L261 L356 L359 K363 L364 C365	V254-W361 HydrophobicContact CG1-CB 4Å; V254-W361 HydrophobicContact CG2-CB 4.5Å; L261-W361 HydrophobicContact CD1-CZ2 4.23Å; L356-W361 HydrophobicContact CD2-CZ2 4.45Å; L356-W361 PolarHBondContact O-NE1 3.47Å; L359-W361 VanDerWaalsContact C-N 3.26Å; L359-W361 PolarHBondContact O-N 2.86Å; W361-K363 PolarHBondContact O-N 3.01Å; W361-L364 PolarHBondContact O-N 3.19Å; W361-C365 WeakPolarHBondContact O-CB 3.47Å; W361-C365 PolarHBondContact O-N 3.46Å; W361-C365 PolarHBondContact O-SG 3.14Å; W361-C365 VanDerWaalsContact O-SG 3.35Å
362	S	54.4	Low	59	Low	65 Å²	65	80.1 Å²	80.1	46%	0.455	42%	0.421	S	S	.	.	H	α-helix	trans	-60.9	-44.3	-178.7	52.1	0	0	0	0	113.3	P360 Q366	P360-S362 VanDerWaalsContact C-N 3.26Å; P360-S362 PolarHBondContact O-N 3.47Å; P360-S362 VanDerWaalsContact O-N 3.1Å; S362-Q366 WeakPolarHBondContact O-CG 3.23Å; S362-Q366 PolarHBondContact O-N 2.71Å
363	K	52.6	Low	57	Low	94 Å²	94	82.6 Å²	82.6	41%	0.409	44%	0.44	S	S	.	.	H	α-helix	trans	-74.5	-33.9	176.8	-67.2	-167	176	-170.5	0	111.7	P360 W361 Q366 T367 N416	P360-K363 PolarHBondContact O-N 3.46Å; W361-K363 PolarHBondContact O-N 3.01Å; K363-Q366 PolarHBondContact O-N 2.94Å; K363-T367 PolarHBondContact O-N 3.29Å; K363-T367 PolarHBondContact O-OG1 2.83Å; K363-N416 PolarHBondContact NZ-OD1 2.96Å
364	L	55.5	Low	54.8	Low	71 Å²	71	87.8 Å²	87.8	37%	0.372	47%	0.473	S	S	.	.	H	α-helix	trans	-67.2	-38.4	178.1	-133	165.8	0	0	0	112.2	L359 P360 W361 T367 L368	L359-L364 HydrophobicContact CD2-CD1 4.49Å; P360-L364 PolarHBondContact O-N 2.82Å; W361-L364 PolarHBondContact O-N 3.19Å; L364-T367 PolarHBondContact O-OG1 3.33Å; L364-T367 VanDerWaalsContact O-OG1 3.06Å; L364-L368 HydrophobicContact CD2-CD1 3.77Å; L364-L368 HydrophobicContact CD2-CG 4.36Å; L364-L368 WeakPolarHBondContact O-CB 3.41Å; L364-L368 WeakPolarHBondContact O-CG 3.14Å; L364-L368 PolarHBondContact O-N 3.23Å; L364-L368 VanDerWaalsContact O-N 3.13Å
365	C	50.7	Low	52.9	Low	68 Å²	68	91.2 Å²	91.2	46%	0.459	50%	0.501	S	S	.	.	H	α-helix	trans	-66.6	-38.7	171.7	-69.8	0	0	0	0	112.3	W361 L368 S369	W361-C365 WeakPolarHBondContact O-CB 3.47Å; W361-C365 PolarHBondContact O-N 3.46Å; W361-C365 PolarHBondContact O-SG 3.14Å; W361-C365 VanDerWaalsContact O-SG 3.35Å; C365-L368 PolarHBondContact O-N 3.46Å; C365-S369 WeakPolarHBondContact O-CB 3.46Å; C365-S369 PolarHBondContact O-N 2.89Å; C365-S369 PolarHBondContact O-OG 3.24Å
366	Q	51.6	Low	51.1	Low	127 Å²	127	97 Å²	97	59%	0.593	53%	0.531	S	S	*	.	H	α-helix	trans	-70	-29.4	178.5	-76.1	-178.7	-15.6	0	0	113.9	S362 K363 K370	S362-Q366 WeakPolarHBondContact O-CG 3.23Å; S362-Q366 PolarHBondContact O-N 2.71Å; K363-Q366 PolarHBondContact O-N 2.94Å; Q366-K370 WeakPolarHBondContact O-CG 3.48Å
367	T	50.5	Low	49.1	Very low	92 Å²	92	99.8 Å²	99.8	56%	0.564	55%	0.551	S	S	*	*	H	α-helix	trans	-76.7	-40.1	172.4	51.4	0	0	0	0	111.6	K363 L364	K363-T367 PolarHBondContact O-N 3.29Å; K363-T367 PolarHBondContact O-OG1 2.83Å; L364-T367 PolarHBondContact O-OG1 3.33Å; L364-T367 VanDerWaalsContact O-OG1 3.06Å
368	L	46.8	Very low	47.2	Very low	121 Å²	121	105.2 Å²	105.2	63%	0.634	58%	0.583	S	S	*	*	H	α-helix	trans	-65.4	-42	175.1	-78.3	164.8	0	0	0	112.9	L364 C365 K370 V371	L364-L368 HydrophobicContact CD2-CD1 3.77Å; L364-L368 HydrophobicContact CD2-CG 4.36Å; L364-L368 WeakPolarHBondContact O-CB 3.41Å; L364-L368 WeakPolarHBondContact O-CG 3.14Å; L364-L368 PolarHBondContact O-N 3.23Å; L364-L368 VanDerWaalsContact O-N 3.13Å; C365-L368 PolarHBondContact O-N 3.46Å; L368-K370 VanDerWaalsContact C-N 3.26Å; L368-K370 PolarHBondContact O-N 2.92Å; L368-V371 PolarHBondContact O-N 3.14Å
369	S	49.2	Very low	45.3	Very low	86 Å²	86	110 Å²	110	60%	0.601	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-17.1	-176.9	74	0	0	0	0	114.2	C365	C365-S369 WeakPolarHBondContact O-CB 3.46Å; C365-S369 PolarHBondContact O-N 2.89Å; C365-S369 PolarHBondContact O-OG 3.24Å
370	K	43.5	Very low	43.8	Very low	177 Å²	177	116.9 Å²	116.9	77%	0.77	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-3.1	179.3	-78.9	-174.8	175	-175.2	0	114.3	Q366 L368	Q366-K370 WeakPolarHBondContact O-CG 3.48Å; L368-K370 VanDerWaalsContact C-N 3.26Å; L368-K370 PolarHBondContact O-N 2.92Å
371	V	42.8	Very low	42.2	Very low	111 Å²	111	122.4 Å²	122.4	67%	0.673	65%	0.654	S	S	*	*	S	Bend	trans	-85.9	-17.5	-175.7	178.6	0	0	0	0	113.3	L368	L368-V371 PolarHBondContact O-N 3.14Å
372	H	33.4	Very low	40.8	Very low	170 Å²	170	126.7 Å²	126.7	79%	0.787	68%	0.683	S	S	*	*	S	Bend	trans	-128.1	78.9	-179.6	-79.1	-58.2	0	0	0	113.4
373	T	35.9	Very low	39.7	Very low	137 Å²	137	128.5 Å²	128.5	84%	0.84	69%	0.694	S	S	*	*			trans	-179	134.3	141.3	30.8	0	0	0	0	109.6
374	T	33.6	Very low	38.7	Very low	138 Å²	138	129.6 Å²	129.6	85%	0.847	71%	0.713	S	S	*	*			trans	-86.9	142.5	171.2	39.1	0	0	0	0	111.5
375	P	36.6	Very low	37.7	Very low	123 Å²	123	131.6 Å²	131.6	80%	0.799	73%	0.733	S	S	*	*			trans	-91.4	152.8	-173.7	35.5	-35.7	0	0	0	113.9
376	L	33.2	Very low	36.9	Very low	162 Å²	162	133.6 Å²	133.6	85%	0.848	75%	0.748	S	S	*	*			trans	-150	134.2	172.2	-145.8	88.3	0	0	0	112.7
377	V	30.9	Very low	35.9	Very low	121 Å²	121	135.7 Å²	135.7	73%	0.733	76%	0.758	S	S	*	*			trans	73.6	116.7	142.1	150.8	0	0	0	0	122.2
378	V	32.8	Very low	35	Very low	113 Å²	113	137.6 Å²	137.6	69%	0.685	77%	0.769	S	S	*	*			trans	74.8	95.7	135.4	177.2	0	0	0	0	121.9
379	Q	29.8	Very low	34.3	Very low	151 Å²	151	137.9 Å²	137.9	71%	0.706	78%	0.775	S	S	*	*				37.8	126	105	-176.7	-172	21.9	0	0	121.2
380	Q	34.4	Very low	33.4	Very low	197 Å²	197	144.7 Å²	144.7	92%	0.921	79%	0.789	S	S	*	*			trans	-156.7	150.2	138.3	-117.3	173.9	6	0	0	112.8
381	F	28.6	Very low	33	Very low	170 Å²	170	141.3 Å²	141.3	75%	0.746	79%	0.788	S	S	*	*			trans	-108	154.9	-179.6	-87.2	-106.5	0	0	0	111.3
382	N	30.7	Very low	32.4	Very low	167 Å²	167	142.8 Å²	142.8	89%	0.893	79%	0.792	S	S	*	*				-159.3	164.1	129	-136.2	-26.2	0	0	0	113.3
383	C	30.1	Very low	32.3	Very low	103 Å²	103	141 Å²	141	70%	0.696	79%	0.788	S	S	*	*			trans	-131.1	150.9	-159.7	-61.2	0	0	0	0	116.5
384	S	33.4	Very low	31.9	Very low	116 Å²	116	140.3 Å²	140.3	81%	0.811	78%	0.784	S	S	*	*			trans	-180	155.1	165.7	53.8	0	0	0	0	108.8
385	S	33.3	Very low	31.7	Very low	114 Å²	114	138.7 Å²	138.7	80%	0.797	78%	0.779	S	S	*	*			cis	-179.1	157.7	-18.3	52.6	0	0	0	0	106.1
386	S	34.5	Very low	31.2	Very low	110 Å²	110	139.8 Å²	139.8	77%	0.769	78%	0.778	S	S	*	*			cis	-149.7	-147.3	11.2	59.2	0	0	0	0	111.1
387	H	31.2	Very low	30.9	Very low	171 Å²	171	136.5 Å²	136.5	79%	0.792	77%	0.768	S	S	*	*			trans	-103.3	-172.7	176.9	-58.4	-97.7	0	0	0	111.6
388	V	31.2	Very low	30.8	Very low	131 Å²	131	139.4 Å²	139.4	79%	0.794	77%	0.771	S	S	*	*			cis	-149.1	-179.6	14.3	-119.8	0	0	0	0	108.3
389	V	32.2	Very low	30.5	Very low	127 Å²	127	140.7 Å²	140.7	77%	0.77	77%	0.773	S	S	*	*			cis	-144.2	-177.7	18.5	-144.2	0	0	0	0	110.3
390	Y	28.8	Very low	30.3	Very low	230 Å²	230	140.5 Å²	140.5	90%	0.902	77%	0.774	S	S	*	*			trans	-146.4	148.8	167.8	-106.3	-90	0	0	0	111.2
391	S	35.2	Very low	30	Very low	106 Å²	106	137.5 Å²	137.5	74%	0.741	76%	0.764	S	S	*	*			trans	-164	114.5	156.4	59.2	0	0	0	0	112.6
392	N	30.2	Very low	29.9	Very low	142 Å²	142	137.3 Å²	137.3	76%	0.759	77%	0.765	S	S	*	*			trans	31.8	142.3	140	-61.9	24.3	0	0	0	120.6
393	D	31.6	Very low	29.6	Very low	131 Å²	131	136.5 Å²	136.5	70%	0.701	76%	0.76	S	S	*	*			cis	-151.8	165.6	38.5	-111.8	-41.5	0	0	0	114.8
394	T	28.7	Very low	29.4	Very low	124 Å²	124	137.4 Å²	137.4	76%	0.761	76%	0.762	S	S	*	*			trans	33.7	120	158.9	61.3	0	0	0	0	118.6
395	S	27.8	Very low	29.1	Very low	104 Å²	104	138.7 Å²	138.7	73%	0.727	76%	0.758	S	S	*	*			cis	-174.4	164.8	41.2	52.3	0	0	0	0	113.2
396	N	26.9	Very low	28.8	Very low	146 Å²	146	139.4 Å²	139.4	78%	0.781	76%	0.757	S	S	*	*			trans	62.9	84.5	156.3	-66.4	1.5	0	0	0	120.3
397	S	27.1	Very low	28.4	Very low	93 Å²	93	141.5 Å²	141.5	65%	0.65	76%	0.755	S	S	*	*				93.7	139.9	105.5	76.4	0	0	0	0	120.8
398	F	27.8	Very low	28.2	Very low	182 Å²	182	141.2 Å²	141.2	80%	0.798	75%	0.754	S	S	*	*			trans	51.8	114.5	164.8	-61.6	-69.4	0	0	0	117.4
399	I	26.9	Very low	27.9	Very low	139 Å²	139	140.9 Å²	140.9	71%	0.713	75%	0.748	S	S	*	*			cis	54.9	95.3	34.4	-42.7	177	0	0	0	112.6
400	M	26.6	Very low	27.6	Very low	147 Å²	147	142 Å²	142	72%	0.724	75%	0.75	S	S	*	*				-157.9	165.5	118.6	-101.9	-50.6	163.8	0	0	111.3
401	D	27.2	Very low	27.6	Very low	134.5 Å²	134.5	138.5 Å²	138.5	72%	0.719	75%	0.745	S	S	*	*			trans	-7.2	119.6	160.7	-62.8	-42.9	0	0	0	113
402	Q	26.7	Very low	27.4	Very low	166 Å²	166	141.6 Å²	141.6	78%	0.776	75%	0.746	S	S	*	*				136.1	124.2	84.3	-126.4	-179.9	23.6	0	0	113.3	T404	Q402-T404 PolarHBondContact O-N 3.3Å
403	I	24.7	Very low	27.5	Very low	150 Å²	150	140.6 Å²	140.6	77%	0.769	74%	0.741	S	S	*	*			trans	-8.8	101.3	171.5	-54.8	163.1	0	0	0	111.5
404	T	25.7	Very low	27.9	Very low	122.5 Å²	122.5	138.5 Å²	138.5	75%	0.752	73%	0.729	S	S	*	*			trans	-145.4	118.6	147.3	27.8	0	0	0	0	112.2	Q402	Q402-T404 PolarHBondContact O-N 3.3Å
405	I	27.3	Very low	28.4	Very low	143 Å²	143	140.8 Å²	140.8	73%	0.733	73%	0.731	S	S	*	*			trans	-13	131.7	160.4	-55.2	161.7	0	0	0	112.9	H407	I405-H407 HydrophobicContact CG2-CB 3.95Å; I405-H407 PolarHBondContact O-N 3.05Å
406	V	26.1	Very low	29.1	Very low	127.5 Å²	127.5	139.9 Å²	139.9	77%	0.773	72%	0.718	S	S	*	*			trans	0.4	104.4	164.7	-173.5	0	0	0	0	110.7
407	H	27	Very low	30	Very low	154.5 Å²	154.5	135 Å²	135	72%	0.715	69%	0.693	S	S	*	*				-138.3	118.3	102.4	-110.7	-72.7	0	0	0	109	I405	I405-H407 HydrophobicContact CG2-CB 3.95Å; I405-H407 PolarHBondContact O-N 3.05Å
408	Q	26	Very low	30.9	Very low	166 Å²	166	134.2 Å²	134.2	78%	0.776	68%	0.682	S	S	*	*				-15.3	65.2	108.3	-160.3	168	-2.4	0	0	113.2
409	N	24.8	Very low	32	Very low	123.5 Å²	123.5	130 Å²	130	66%	0.66	67%	0.665	S	S	*	*			trans	161.2	144.9	173.6	-61	-21.8	0	0	0	113.6
410	N	26.6	Very low	33.3	Very low	151.5 Å²	151.5	128.5 Å²	128.5	81%	0.81	66%	0.658	S	S	*	*			trans	73	88.2	169	-53.3	-8.9	0	0	0	116.5
411	L	29.1	Very low	34.8	Very low	155 Å²	155	123.4 Å²	123.4	81%	0.812	63%	0.633	S	S	*	*				-129.7	76.8	80.3	-144.9	121.9	0	0	0	111.4
412	F	30	Very low	36.1	Very low	171.5 Å²	171.5	120.9 Å²	120.9	75%	0.752	62%	0.619	S	S	*	*			trans	-21.3	126	161.3	-76.6	-90.6	0	0	0	114.4	L414	F412-L414 PolarHBondContact O-N 3.41Å
413	D	32.5	Very low	37.6	Very low	122 Å²	122	116.1 Å²	116.1	65%	0.652	60%	0.599	S	S	*	*			trans	-137.6	39.5	153.4	-69.1	-33.7	0	0	0	113.1	E415 N416 T417	D413-E415 PolarHBondContact O-N 2.79Å; D413-E415 VanDerWaalsContact O-N 3.12Å; D413-N416 PolarHBondContact O-N 3.25Å; D413-T417 WeakPolarHBondContact O-CG2 3.44Å
414	L	40.1	Very low	39.4	Very low	86.5 Å²	86.5	112.9 Å²	112.9	45%	0.453	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74	-23.8	-170.7	-141.3	72.2	0	0	0	115.2	F412 N416 T417 T471	F412-L414 PolarHBondContact O-N 3.41Å; L414-N416 VanDerWaalsContact C-N 3.29Å; L414-N416 PolarHBondContact O-N 3.22Å; L414-T417 HydrophobicContact CD1-CG2 4.48Å; L414-T417 WeakPolarHBondContact O-CB 3.42Å; L414-T417 PolarHBondContact O-N 3.01Å; L414-T417 VanDerWaalsContact O-N 3.15Å; L414-T417 PolarHBondContact O-OG1 3.1Å; L414-T417 VanDerWaalsContact O-OG1 3.09Å; L414-T471 HydrophobicContact CD2-CG2 3.72Å; L414-T471 HydrophobicContact CG-CG2 3.96Å
415	E	40.3	Very low	41.1	Very low	171 Å²	171	111.8 Å²	111.8	80%	0.799	57%	0.565	S	S	*	*	H	α-helix	trans	-77.4	-25.2	175.7	-131.3	177	-164.5	0	0	113	D413 T417	D413-E415 PolarHBondContact O-N 2.79Å; D413-E415 VanDerWaalsContact O-N 3.12Å; E415-T417 VanDerWaalsContact C-N 3.31Å; E415-T417 PolarHBondContact O-N 3.27Å
416	N	41.9	Very low	42.7	Very low	85 Å²	85	109 Å²	109	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-70.7	-27.2	174.8	-89.4	-36.6	0	0	0	112.8	K363 D413 L414 N418 H419 L420	K363-N416 PolarHBondContact NZ-OD1 2.96Å; D413-N416 PolarHBondContact O-N 3.25Å; L414-N416 VanDerWaalsContact C-N 3.29Å; L414-N416 PolarHBondContact O-N 3.22Å; N416-N418 PolarHBondContact O-N 2.72Å; N416-H419 PolarHBondContact O-N 2.97Å; N416-L420 WeakPolarHBondContact O-CB 3.2Å; N416-L420 PolarHBondContact O-N 3.08Å
417	T	44.9	Very low	44.5	Very low	43 Å²	43	107.2 Å²	107.2	26%	0.264	54%	0.537	S	S	.	.	H	α-helix	trans	-68.8	-42.4	-173.9	57.9	0	0	0	0	113.1	D413 L414 E415 H419 L420 I421 N467	D413-T417 WeakPolarHBondContact O-CG2 3.44Å; L414-T417 HydrophobicContact CD1-CG2 4.48Å; L414-T417 WeakPolarHBondContact O-CB 3.42Å; L414-T417 PolarHBondContact O-N 3.01Å; L414-T417 VanDerWaalsContact O-N 3.15Å; L414-T417 PolarHBondContact O-OG1 3.1Å; L414-T417 VanDerWaalsContact O-OG1 3.09Å; E415-T417 VanDerWaalsContact C-N 3.31Å; E415-T417 PolarHBondContact O-N 3.27Å; T417-H419 PolarHBondContact O-N 3.42Å; T417-L420 WeakPolarHBondContact O-CA 3.19Å; T417-L420 VanDerWaalsContact O-CB 3.22Å; T417-L420 WeakPolarHBondContact O-CB 3.4Å; T417-L420 PolarHBondContact O-N 2.94Å; T417-L420 VanDerWaalsContact O-N 3.12Å; T417-I421 PolarHBondContact O-N 3.46Å; T417-I421 VanDerWaalsContact O-N 3.16Å; T417-N467 PolarHBondContact OG1-ND2 2.74Å
418	N	47.4	Very low	46.3	Very low	76.5 Å²	76.5	102.3 Å²	102.3	41%	0.409	52%	0.515	S	S	.	.	H	α-helix	trans	-61.2	-46.4	179	-72.2	-32.1	0	0	0	111.4	N416 L420 I421 D422 N467	N416-N418 PolarHBondContact O-N 2.72Å; N418-L420 VanDerWaalsContact C-N 3.3Å; N418-L420 PolarHBondContact O-N 2.88Å; N418-I421 PolarHBondContact O-N 3.39Å; N418-I421 VanDerWaalsContact O-N 3.11Å; N418-D422 PolarHBondContact O-N 2.95Å; N418-N467 PolarHBondContact OD1-ND2 3.26Å; N418-N467 VanDerWaalsContact OD1-ND2 3.17Å
419	H	50.7	Low	48.1	Very low	95 Å²	95	99.4 Å²	99.4	44%	0.44	50%	0.5	S	S	.	.	H	α-helix	trans	-67.7	-21.6	174.3	-74.7	-38.1	0	0	0	113.9	N416 T417 I421 D422 N423	N416-H419 PolarHBondContact O-N 2.97Å; T417-H419 PolarHBondContact O-N 3.42Å; H419-I421 VanDerWaalsContact C-N 3.35Å; H419-D422 IonicContact ND1-OD2 3.39Å; H419-D422 PolarHBondContact ND1-OD2 3.17Å; H419-N423 PolarHBondContact O-N 2.93Å; H419-N423 PolarHBondContact O-ND2 3.24Å
420	L	53.5	Low	49.8	Very low	108 Å²	108	95.3 Å²	95.3	57%	0.565	48%	0.481	S	S	*	.	H	α-helix	trans	-70.2	-37.1	174.2	-135.9	161.3	0	0	0	110.8	N416 T417 N418 N423 L424	N416-L420 WeakPolarHBondContact O-CB 3.2Å; N416-L420 PolarHBondContact O-N 3.08Å; T417-L420 WeakPolarHBondContact O-CA 3.19Å; T417-L420 VanDerWaalsContact O-CB 3.22Å; T417-L420 WeakPolarHBondContact O-CB 3.4Å; T417-L420 PolarHBondContact O-N 2.94Å; T417-L420 VanDerWaalsContact O-N 3.12Å; N418-L420 VanDerWaalsContact C-N 3.3Å; N418-L420 PolarHBondContact O-N 2.88Å; L420-N423 PolarHBondContact O-N 2.79Å; L420-L424 WeakPolarHBondContact O-CB 3.31Å; L420-L424 PolarHBondContact O-N 3.27Å
421	I	57.7	Low	51.6	Low	39 Å²	39	92 Å²	92	20%	0.2	46%	0.462	C	S	.	.	H	α-helix	trans	-65.7	-44.6	177.1	-66	169.4	0	0	0	111.5	T417 N418 H419 N423 L424 W425 Y460 N467	T417-I421 PolarHBondContact O-N 3.46Å; T417-I421 VanDerWaalsContact O-N 3.16Å; N418-I421 PolarHBondContact O-N 3.39Å; N418-I421 VanDerWaalsContact O-N 3.11Å; H419-I421 VanDerWaalsContact C-N 3.35Å; I421-N423 VanDerWaalsContact C-N 3.34Å; I421-N423 PolarHBondContact O-N 3.24Å; I421-L424 WeakPolarHBondContact O-CB 3.2Å; I421-L424 PolarHBondContact O-N 2.93Å; I421-W425 PolarHBondContact O-N 3.21Å; I421-W425 VanDerWaalsContact O-N 3.11Å; I421-Y460 HydrophobicContact CG2-CD2 4.38Å; I421-Y460 HydrophobicContact CG2-CE2 4.06Å; I421-N467 HydrophobicContact CD1-CB 3.51Å; I421-N467 WeakPolarHBondContact CD1-ND2 3.43Å
422	D	56.1	Low	53.2	Low	81 Å²	81	86.6 Å²	86.6	43%	0.433	43%	0.434	S	S	.	.	H	α-helix	trans	-60.7	-42.5	177.2	-64.1	-32.1	0	0	0	112	N418 H419 W425 L426	N418-D422 PolarHBondContact O-N 2.95Å; H419-D422 IonicContact ND1-OD2 3.39Å; H419-D422 PolarHBondContact ND1-OD2 3.17Å; D422-W425 WeakPolarHBondContact O-CB 3.35Å; D422-W425 PolarHBondContact O-N 3.01Å; D422-L426 PolarHBondContact O-N 3.2Å
423	N	58.1	Low	54.7	Low	65.5 Å²	65.5	83.4 Å²	83.4	35%	0.35	42%	0.424	S	S	.	.	H	α-helix	trans	-69.6	-34	177	-76.7	-69.6	0	0	0	112.2	H419 L420 I421 W425 L426 L427	H419-N423 PolarHBondContact O-N 2.93Å; H419-N423 PolarHBondContact O-ND2 3.24Å; L420-N423 PolarHBondContact O-N 2.79Å; I421-N423 VanDerWaalsContact C-N 3.34Å; I421-N423 PolarHBondContact O-N 3.24Å; N423-W425 VanDerWaalsContact C-N 3.3Å; N423-W425 PolarHBondContact O-N 3.21Å; N423-L426 PolarHBondContact O-N 3.25Å; N423-L427 PolarHBondContact O-N 3.01Å
424	L	61.7	Low	56	Low	83.5 Å²	83.5	81.6 Å²	81.6	44%	0.437	41%	0.414	S	S	.	.	H	α-helix	trans	-61.4	-39.4	173.1	-130.1	123.4	0	0	0	111.6	L420 I421 L427 I428	L420-L424 WeakPolarHBondContact O-CB 3.31Å; L420-L424 PolarHBondContact O-N 3.27Å; I421-L424 WeakPolarHBondContact O-CB 3.2Å; I421-L424 PolarHBondContact O-N 2.93Å; L424-L427 PolarHBondContact O-N 3.25Å; L424-I428 HydrophobicContact CD2-CD1 4.15Å; L424-I428 HydrophobicContact CG-CD1 4.1Å; L424-I428 WeakPolarHBondContact O-CB 3.5Å; L424-I428 VanDerWaalsContact O-CG1 3.3Å; L424-I428 WeakPolarHBondContact O-CG1 3.43Å; L424-I428 PolarHBondContact O-N 3.07Å
425	W	62	Low	56.9	Low	99.5 Å²	99.5	81.8 Å²	81.8	38%	0.377	42%	0.415	S	S	.	.	H	α-helix	trans	-62.9	-45	178.9	-170	87.9	0	0	0	112.2	I421 D422 N423 L427 I428 F429 Y460	I421-W425 PolarHBondContact O-N 3.21Å; I421-W425 VanDerWaalsContact O-N 3.11Å; D422-W425 WeakPolarHBondContact O-CB 3.35Å; D422-W425 PolarHBondContact O-N 3.01Å; N423-W425 VanDerWaalsContact C-N 3.3Å; N423-W425 PolarHBondContact O-N 3.21Å; W425-L427 VanDerWaalsContact C-N 3.31Å; W425-L427 PolarHBondContact O-N 3.42Å; W425-I428 PolarHBondContact O-N 3.3Å; W425-F429 AromaticContact CD2-CD2 3.92Å; W425-F429 HydrophobicContact CD2-CD2 4.14Å; W425-F429 HydrophobicContact CD2-CE2 4.22Å; W425-F429 AromaticContact CE2-CD2 3.77Å; W425-F429 AromaticContact CE2-CE2 3.57Å; W425-F429 HydrophobicContact CE3-CD2 4.05Å; W425-F429 AromaticContact CH2-CD2 3.87Å; W425-F429 HydrophobicContact CH2-CD2 3.87Å; W425-F429 AromaticContact CH2-CE2 3.8Å; W425-F429 HydrophobicContact CH2-CE2 3.8Å; W425-F429 HydrophobicContact CH2-CG 4.48Å; W425-F429 HydrophobicContact CH2-CZ 4.24Å; W425-F429 AromaticContact CZ2-CD2 3.65Å; W425-F429 HydrophobicContact CZ2-CD2 3.65Å; W425-F429 VanDerWaalsContact CZ2-CD2 3.49Å; W425-F429 AromaticContact CZ2-CE2 3.4Å; W425-F429 HydrophobicContact CZ2-CE2 3.4Å; W425-F429 VanDerWaalsContact CZ2-CE2 3.49Å; W425-F429 HydrophobicContact CZ2-CZ 4.05Å; W425-F429 HydrophobicContact CZ3-CD2 4.2Å; W425-F429 HydrophobicContact CZ3-CE2 4.29Å; W425-F429 WeakPolarHBondContact O-CB 3.48Å; W425-F429 PolarHBondContact O-N 3.4Å; W425-Y460 HydrophobicContact CB-CD2 4.18Å; W425-Y460 HydrophobicContact CB-CE2 3.9Å; W425-Y460 AromaticContact CD1-CD2 3.49Å; W425-Y460 VanDerWaalsContact CD1-CD2 3.49Å; W425-Y460 AromaticContact CD1-CE2 3.68Å; W425-Y460 AromaticContact CD1-CG 3.72Å; W425-Y460 HydrophobicContact CG-CD2 4.17Å; W425-Y460 HydrophobicContact CG-CE2 4.01Å
426	L	60.6	Low	57.8	Low	85 Å²	85	75.4 Å²	75.4	45%	0.445	39%	0.394	S	S	.	.	H	α-helix	trans	-60.7	-40.9	174.5	-73.4	170.8	0	0	0	112.4	D422 N423 F429 S430	D422-L426 PolarHBondContact O-N 3.2Å; N423-L426 PolarHBondContact O-N 3.25Å; L426-F429 PolarHBondContact O-N 3.49Å; L426-S430 WeakPolarHBondContact O-CB 3.28Å; L426-S430 PolarHBondContact O-N 3.41Å; L426-S430 PolarHBondContact O-OG 2.97Å
427	L	63.8	Low	58.4	Low	89 Å²	89	75.6 Å²	75.6	47%	0.466	39%	0.392	S	S	.	.	H	α-helix	trans	-66.2	-44.8	177.7	-173.8	129.7	0	0	0	111.5	N423 L424 W425 F429 S430 I431	N423-L427 PolarHBondContact O-N 3.01Å; L424-L427 PolarHBondContact O-N 3.25Å; W425-L427 VanDerWaalsContact C-N 3.31Å; W425-L427 PolarHBondContact O-N 3.42Å; L427-F429 PolarHBondContact O-N 3.11Å; L427-S430 PolarHBondContact O-N 2.83Å; L427-S430 PolarHBondContact O-OG 3.44Å; L427-I431 HydrophobicContact CD2-CD1 3.63Å; L427-I431 HydrophobicContact CG-CD1 4.2Å; L427-I431 WeakPolarHBondContact O-CG1 3.27Å; L427-I431 PolarHBondContact O-N 3.2Å
428	I	65.5	Low	58.9	Low	50.5 Å²	50.5	80.1 Å²	80.1	26%	0.259	41%	0.408	S	S	.	.	H	α-helix	trans	-61.9	-44.1	175.4	-69.6	165	0	0	0	111.1	L424 W425 S430 I431 I432 M456	L424-I428 HydrophobicContact CD2-CD1 4.15Å; L424-I428 HydrophobicContact CG-CD1 4.1Å; L424-I428 WeakPolarHBondContact O-CB 3.5Å; L424-I428 VanDerWaalsContact O-CG1 3.3Å; L424-I428 WeakPolarHBondContact O-CG1 3.43Å; L424-I428 PolarHBondContact O-N 3.07Å; W425-I428 PolarHBondContact O-N 3.3Å; I428-S430 VanDerWaalsContact C-N 3.32Å; I428-S430 PolarHBondContact O-N 3.43Å; I428-I431 PolarHBondContact O-N 3.33Å; I428-I432 HydrophobicContact CG2-CD1 3.82Å; I428-I432 HydrophobicContact CG2-CG1 4.43Å; I428-I432 WeakPolarHBondContact O-CG1 3.43Å; I428-I432 PolarHBondContact O-N 3.19Å; I428-M456 HydrophobicContact CG2-CB 4.22Å; I428-M456 HydrophobicContact CG2-CG 4.16Å; I428-M456 HydrophobicContact CG2-SD 4.13Å
429	F	62.3	Low	59.2	Low	106.5 Å²	106.5	81.3 Å²	81.3	47%	0.467	41%	0.414	S	S	.	.	H	α-helix	trans	-61.8	-40.2	177	-120.7	-86	0	0	0	112	W425 L426 L427 I432 L433	W425-F429 AromaticContact CD2-CD2 3.92Å; W425-F429 HydrophobicContact CD2-CD2 4.14Å; W425-F429 HydrophobicContact CD2-CE2 4.22Å; W425-F429 AromaticContact CE2-CD2 3.77Å; W425-F429 AromaticContact CE2-CE2 3.57Å; W425-F429 HydrophobicContact CE3-CD2 4.05Å; W425-F429 AromaticContact CH2-CD2 3.87Å; W425-F429 HydrophobicContact CH2-CD2 3.87Å; W425-F429 AromaticContact CH2-CE2 3.8Å; W425-F429 HydrophobicContact CH2-CE2 3.8Å; W425-F429 HydrophobicContact CH2-CG 4.48Å; W425-F429 HydrophobicContact CH2-CZ 4.24Å; W425-F429 AromaticContact CZ2-CD2 3.65Å; W425-F429 HydrophobicContact CZ2-CD2 3.65Å; W425-F429 VanDerWaalsContact CZ2-CD2 3.49Å; W425-F429 AromaticContact CZ2-CE2 3.4Å; W425-F429 HydrophobicContact CZ2-CE2 3.4Å; W425-F429 VanDerWaalsContact CZ2-CE2 3.49Å; W425-F429 HydrophobicContact CZ2-CZ 4.05Å; W425-F429 HydrophobicContact CZ3-CD2 4.2Å; W425-F429 HydrophobicContact CZ3-CE2 4.29Å; W425-F429 WeakPolarHBondContact O-CB 3.48Å; W425-F429 PolarHBondContact O-N 3.4Å; L426-F429 PolarHBondContact O-N 3.49Å; L427-F429 PolarHBondContact O-N 3.11Å; F429-I432 PolarHBondContact O-N 3.05Å; F429-L433 PolarHBondContact O-N 3.06Å
430	S	61.6	Low	59.2	Low	36.5 Å²	36.5	80.3 Å²	80.3	26%	0.255	41%	0.414	S	S	.	.	H	α-helix	trans	-63.3	-42.2	175.6	9.8	0	0	0	0	112.3	L426 L427 I428 L433 I434	L426-S430 WeakPolarHBondContact O-CB 3.28Å; L426-S430 PolarHBondContact O-N 3.41Å; L426-S430 PolarHBondContact O-OG 2.97Å; L427-S430 PolarHBondContact O-N 2.83Å; L427-S430 PolarHBondContact O-OG 3.44Å; I428-S430 VanDerWaalsContact C-N 3.32Å; I428-S430 PolarHBondContact O-N 3.43Å; S430-L433 WeakPolarHBondContact O-CB 3.4Å; S430-L433 PolarHBondContact O-N 3.22Å; S430-I434 WeakPolarHBondContact O-CD1 3.45Å; S430-I434 VanDerWaalsContact O-CG1 3.28Å; S430-I434 WeakPolarHBondContact O-CG1 3.32Å; S430-I434 PolarHBondContact O-N 3.18Å
431	I	63.7	Low	59.2	Low	81.5 Å²	81.5	82.1 Å²	82.1	42%	0.418	43%	0.425	S	S	.	.	H	α-helix	trans	-65.3	-40.8	177.1	-70.2	166.5	0	0	0	111.2	L427 I428 L433 I434 L435	L427-I431 HydrophobicContact CD2-CD1 3.63Å; L427-I431 HydrophobicContact CG-CD1 4.2Å; L427-I431 WeakPolarHBondContact O-CG1 3.27Å; L427-I431 PolarHBondContact O-N 3.2Å; I428-I431 PolarHBondContact O-N 3.33Å; I431-L433 VanDerWaalsContact C-N 3.33Å; I431-L433 PolarHBondContact O-N 3.17Å; I431-I434 PolarHBondContact O-N 3.07Å; I431-L435 HydrophobicContact CG2-CD1 3.83Å; I431-L435 HydrophobicContact CG2-CG 4.46Å; I431-L435 WeakPolarHBondContact O-CB 3.15Å; I431-L435 WeakPolarHBondContact O-CG 3.28Å; I431-L435 PolarHBondContact O-N 2.93Å
432	I	62.7	Low	59	Low	42.5 Å²	42.5	84.4 Å²	84.4	22%	0.218	44%	0.444	C	S	.	.	H	α-helix	trans	-63.6	-39.1	175	-69.5	168.2	0	0	0	111	I428 F429 L435 G436 T453 M456	I428-I432 HydrophobicContact CG2-CD1 3.82Å; I428-I432 HydrophobicContact CG2-CG1 4.43Å; I428-I432 WeakPolarHBondContact O-CG1 3.43Å; I428-I432 PolarHBondContact O-N 3.19Å; F429-I432 PolarHBondContact O-N 3.05Å; I432-L435 PolarHBondContact O-N 3.26Å; I432-G436 PolarHBondContact O-N 3.25Å; I432-T453 HydrophobicContact CG2-CG2 4.1Å; I432-M456 HydrophobicContact CD1-CB 4.31Å; I432-M456 HydrophobicContact CD1-CG 4.31Å
433	L	60.8	Low	58.9	Low	105 Å²	105	85.6 Å²	85.6	55%	0.55	45%	0.45	S	S	.	.	H	α-helix	trans	-63.6	-42	175.8	-127	164.8	0	0	0	111.8	F429 S430 I431 G436 F437	F429-L433 PolarHBondContact O-N 3.06Å; S430-L433 WeakPolarHBondContact O-CB 3.4Å; S430-L433 PolarHBondContact O-N 3.22Å; I431-L433 VanDerWaalsContact C-N 3.33Å; I431-L433 PolarHBondContact O-N 3.17Å; L433-G436 PolarHBondContact O-N 3.31Å; L433-F437 PolarHBondContact O-N 2.98Å
434	I	61.6	Low	58.5	Low	83.5 Å²	83.5	90.2 Å²	90.2	43%	0.428	46%	0.462	S	S	.	.	H	α-helix	trans	-67.4	-41.3	175.6	-66.5	163	0	0	0	111.4	I355 S430 I431 G436 F437 F438	I355-I434 HydrophobicContact CD1-CD1 4.11Å; S430-I434 WeakPolarHBondContact O-CD1 3.45Å; S430-I434 VanDerWaalsContact O-CG1 3.28Å; S430-I434 WeakPolarHBondContact O-CG1 3.32Å; S430-I434 PolarHBondContact O-N 3.18Å; I431-I434 PolarHBondContact O-N 3.07Å; I434-G436 VanDerWaalsContact C-N 3.3Å; I434-G436 PolarHBondContact O-N 3.19Å; I434-F437 WeakPolarHBondContact O-CB 3.33Å; I434-F437 PolarHBondContact O-N 3.03Å; I434-F437 VanDerWaalsContact O-N 3.1Å; I434-F438 HydrophobicContact CG2-CD2 4.15Å; I434-F438 HydrophobicContact CG2-CE2 4.22Å; I434-F438 PolarHBondContact O-N 3.15Å; I434-F438 VanDerWaalsContact O-N 3.13Å
435	L	59.1	Low	58.2	Low	91 Å²	91	88.5 Å²	88.5	48%	0.476	46%	0.457	S	S	.	.	H	α-helix	trans	-67.4	-28.8	175.1	-76	166.1	0	0	0	113.1	I431 I432 F437 R449 L452	I431-L435 HydrophobicContact CG2-CD1 3.83Å; I431-L435 HydrophobicContact CG2-CG 4.46Å; I431-L435 WeakPolarHBondContact O-CB 3.15Å; I431-L435 WeakPolarHBondContact O-CG 3.28Å; I431-L435 PolarHBondContact O-N 2.93Å; I432-L435 PolarHBondContact O-N 3.26Å; L435-F437 VanDerWaalsContact C-N 3.31Å; L435-R449 PolarHBondContact O-NH2 3.4Å; L435-L452 HydrophobicContact CD1-CD2 4.27Å
436	G	58.3	Low	57.9	Low	36 Å²	36	91.2 Å²	91.2	37%	0.371	47%	0.472	S	S	.	.	H	α-helix	trans	-68.5	-29	171.5	0	0	0	0	0	113.4	I432 L433 I434 R449	I432-G436 PolarHBondContact O-N 3.25Å; L433-G436 PolarHBondContact O-N 3.31Å; I434-G436 VanDerWaalsContact C-N 3.3Å; I434-G436 PolarHBondContact O-N 3.19Å; G436-R449 VanDerWaalsContact O-CZ 3.23Å; G436-R449 PolarHBondContact O-NH1 3.13Å; G436-R449 PolarHBondContact O-NH2 2.91Å; G436-R449 VanDerWaalsContact O-NH2 3.16Å
437	F	54	Low	57.9	Low	90 Å²	90	96.2 Å²	96.2	40%	0.395	49%	0.486	S	S	.	.	H	α-helix	trans	-81.5	-26.6	-176.2	-149.9	-71.3	0	0	0	113.3	F206 H344 Y348 L433 I434 L435 D439	F206-F437 HydrophobicContact CD1-CE2 4.25Å; F206-F437 HydrophobicContact CD1-CZ 4.32Å; F206-F437 HydrophobicContact CD2-CE2 4.21Å; F206-F437 AromaticContact CE1-CE2 3.85Å; F206-F437 HydrophobicContact CE1-CE2 3.85Å; F206-F437 HydrophobicContact CE1-CZ 4.28Å; F206-F437 AromaticContact CE2-CE2 3.81Å; F206-F437 HydrophobicContact CE2-CE2 3.81Å; F206-F437 HydrophobicContact CG-CE2 4.42Å; F206-F437 HydrophobicContact CZ-CD2 4.42Å; F206-F437 AromaticContact CZ-CE2 3.6Å; F206-F437 HydrophobicContact CZ-CE2 3.6Å; F206-F437 HydrophobicContact CZ-CZ 4.44Å; H344-F437 AromaticContact CE1-CD1 3.59Å; H344-F437 AromaticContact CE1-CE1 3.28Å; H344-F437 WeakPolarHBondContact CE1-CE1 3.48Å; H344-F437 AromaticContact NE2-CE1 3.41Å; H344-F437 WeakPolarHBondContact NE2-CE1 3.31Å; Y348-F437 HydrophobicContact CE1-CB 3.8Å; Y348-F437 HydrophobicContact CE1-CD1 4.19Å; Y348-F437 AromaticContact CE1-CD2 3.99Å; Y348-F437 HydrophobicContact CE1-CD2 3.99Å; Y348-F437 AromaticContact CE1-CG 3.73Å; Y348-F437 HydrophobicContact CE1-CG 3.73Å; Y348-F437 AromaticContact CZ-CG 3.98Å; Y348-F437 WeakPolarHBondContact OH-CB 3.33Å; Y348-F437 VanDerWaalsContact OH-CD1 3.28Å; Y348-F437 WeakPolarHBondContact OH-CD1 3.43Å; Y348-F437 WeakPolarHBondContact OH-CG 3.23Å; Y348-F437 PolarHBondContact OH-O 3.4Å; L433-F437 PolarHBondContact O-N 2.98Å; I434-F437 WeakPolarHBondContact O-CB 3.33Å; I434-F437 PolarHBondContact O-N 3.03Å; I434-F437 VanDerWaalsContact O-N 3.1Å; L435-F437 VanDerWaalsContact C-N 3.31Å; F437-D439 VanDerWaalsContact C-N 3.31Å; F437-D439 PolarHBondContact O-N 3.43Å
438	F	56.1	Low	57.9	Low	137 Å²	137	100.2 Å²	100.2	60%	0.601	50%	0.495	S	S	*	.	S	Bend	trans	-73.8	85.5	170.4	-88.7	-87.3	0	0	0	110.6	I434 V440 R449	I434-F438 HydrophobicContact CG2-CD2 4.15Å; I434-F438 HydrophobicContact CG2-CE2 4.22Å; I434-F438 PolarHBondContact O-N 3.15Å; I434-F438 VanDerWaalsContact O-N 3.13Å; F438-V440 HydrophobicContact CB-CG2 4.22Å; F438-V440 HydrophobicContact CD1-CG2 4.48Å; F438-V440 PolarHBondContact O-N 3.31Å; F438-R449 PolarHBondContact O-NH2 3.29Å
439	D	53.5	Low	57.5	Low	101.5 Å²	101.5	101.9 Å²	101.9	54%	0.543	50%	0.498	S	S	.	.			trans	-70.8	65.4	173.6	-106.7	9.2	0	0	0	111.9	R199 F437 D441 R449	R199-D439 IonicContact NH2-OD2 3.98Å; F437-D439 VanDerWaalsContact C-N 3.31Å; F437-D439 PolarHBondContact O-N 3.43Å; D439-D441 PolarHBondContact O-N 3.02Å; D439-R449 IonicContact OD1-CZ 3.57Å; D439-R449 IonicContact OD1-NH1 3.14Å; D439-R449 PolarHBondContact OD1-NH1 3.44Å; D439-R449 IonicContact OD1-NH2 2.92Å; D439-R449 PolarHBondContact OD1-NH2 3.35Å
440	V	50.3	Low	57.4	Low	74 Å²	74	101.6 Å²	101.6	45%	0.448	50%	0.495	S	S	.	.			trans	-81.2	85.9	167.1	-169.8	0	0	0	0	108.9	F438 S442 I443 W444	F438-V440 HydrophobicContact CB-CG2 4.22Å; F438-V440 HydrophobicContact CD1-CG2 4.48Å; F438-V440 PolarHBondContact O-N 3.31Å; V440-S442 PolarHBondContact O-N 3.36Å; V440-I443 HydrophobicContact CG1-CB 3.96Å; V440-I443 HydrophobicContact CG1-CD1 3.95Å; V440-I443 HydrophobicContact CG1-CG1 4.13Å; V440-I443 PolarHBondContact O-N 3.31Å; V440-I443 VanDerWaalsContact O-N 3.09Å; V440-W444 PolarHBondContact O-N 3.43Å
441	D	53.4	Low	57.8	Low	147 Å²	147	101.1 Å²	101.1	79%	0.786	50%	0.495	S	S	*	.			trans	-58.3	-5.4	-177.4	-83.1	-41.7	0	0	0	114.6	D439 I443	D439-D441 PolarHBondContact O-N 3.02Å; D441-I443 PolarHBondContact O-N 3.11Å
442	S	54.1	Low	58	Low	85.5 Å²	85.5	99.7 Å²	99.7	60%	0.598	49%	0.488	S	S	*	.			trans	-71.4	57.1	177	120.6	0	0	0	0	113.3	V440 W444 S445	V440-S442 PolarHBondContact O-N 3.36Å; S442-W444 PolarHBondContact O-N 3.05Å; S442-S445 WeakPolarHBondContact O-CB 3.28Å; S442-S445 PolarHBondContact O-N 3.4Å
443	I	52.9	Low	58.1	Low	107.5 Å²	107.5	99.4 Å²	99.4	55%	0.551	49%	0.488	S	S	*	.	H	α-helix	trans	-91.7	-33.2	-177.9	-63.9	156	0	0	0	112.5	V440 D441 S445 R1067	V440-I443 HydrophobicContact CG1-CB 3.96Å; V440-I443 HydrophobicContact CG1-CD1 3.95Å; V440-I443 HydrophobicContact CG1-CG1 4.13Å; V440-I443 PolarHBondContact O-N 3.31Å; V440-I443 VanDerWaalsContact O-N 3.09Å; D441-I443 PolarHBondContact O-N 3.11Å; I443-S445 VanDerWaalsContact C-N 3.33Å; I443-S445 PolarHBondContact O-N 3.22Å; I443-R1067 VanDerWaalsContact CD1-CZ 3.41Å
444	W	50.9	Low	58.4	Low	162 Å²	162	98.2 Å²	98.2	61%	0.614	48%	0.482	S	S	*	.			trans	-81.7	41	-175.4	-73.7	71.9	0	0	0	113	V440 S442 K446 W448	V440-W444 PolarHBondContact O-N 3.43Å; S442-W444 PolarHBondContact O-N 3.05Å; W444-K446 VanDerWaalsContact C-N 3.3Å; W444-K446 PolarHBondContact O-N 3.25Å; W444-W448 HydrophobicContact CD2-CE3 4.08Å; W444-W448 HydrophobicContact CD2-CZ3 4.22Å; W444-W448 HydrophobicContact CE3-CD2 4.27Å; W444-W448 AromaticContact CE3-CE3 3.34Å; W444-W448 HydrophobicContact CE3-CE3 3.34Å; W444-W448 AromaticContact CE3-CZ3 3.69Å; W444-W448 HydrophobicContact CE3-CZ3 3.69Å; W444-W448 AromaticContact CH2-CE3 3.93Å; W444-W448 HydrophobicContact CH2-CE3 3.93Å; W444-W448 HydrophobicContact CH2-CH2 4Å; W444-W448 AromaticContact CH2-CZ3 3.4Å; W444-W448 HydrophobicContact CH2-CZ3 3.4Å; W444-W448 AromaticContact CZ2-CZ3 3.95Å; W444-W448 HydrophobicContact CZ2-CZ3 3.95Å; W444-W448 HydrophobicContact CZ3-CD2 4.07Å; W444-W448 AromaticContact CZ3-CE3 3.26Å; W444-W448 HydrophobicContact CZ3-CE3 3.26Å; W444-W448 HydrophobicContact CZ3-CH2 4.06Å; W444-W448 AromaticContact CZ3-CZ3 3.26Å; W444-W448 HydrophobicContact CZ3-CZ3 3.26Å; W444-W448 PolarHBondContact O-N 3.19Å
445	S	56.2	Low	59	Low	48.5 Å²	48.5	99.3 Å²	99.3	34%	0.339	49%	0.487	S	S	.	.			trans	-57.6	45.8	176	-178.9	0	0	0	0	111.8	S442 I443 Y447 W448 R449	S442-S445 WeakPolarHBondContact O-CB 3.28Å; S442-S445 PolarHBondContact O-N 3.4Å; I443-S445 VanDerWaalsContact C-N 3.33Å; I443-S445 PolarHBondContact O-N 3.22Å; S445-Y447 PolarHBondContact O-N 3.17Å; S445-W448 PolarHBondContact O-N 3.17Å; S445-R449 WeakPolarHBondContact O-CG 3.42Å; S445-R449 PolarHBondContact O-N 3.3Å; S445-R449 VanDerWaalsContact O-N 3.14Å; S445-R449 PolarHBondContact OG-NE 2.86Å
446	K	55.5	Low	59.4	Low	155 Å²	155	98.3 Å²	98.3	67%	0.674	48%	0.481	S	S	*	.	H	α-helix	trans	-55.6	-36.7	-176.6	-74	-171.6	175.6	-177.8	0	114	W444 W448 Y450	W444-K446 VanDerWaalsContact C-N 3.3Å; W444-K446 PolarHBondContact O-N 3.25Å; K446-W448 VanDerWaalsContact C-N 3.33Å; K446-W448 PolarHBondContact O-N 2.97Å; K446-Y450 VanDerWaalsContact O-CD2 3.23Å; K446-Y450 WeakPolarHBondContact O-CD2 3.41Å; K446-Y450 WeakPolarHBondContact O-CE2 3.35Å
447	Y	60.5	Low	59.7	Low	191 Å²	191	98.1 Å²	98.1	75%	0.749	47%	0.474	S	S	*	.	H	α-helix	trans	-76.6	-33.4	179.8	-64	-74.1	0	0	0	112.8	S445 R449 Y450 G451	S445-Y447 PolarHBondContact O-N 3.17Å; Y447-R449 VanDerWaalsContact C-N 3.34Å; Y447-R449 PolarHBondContact O-N 2.92Å; Y447-Y450 PolarHBondContact O-N 3.4Å; Y447-G451 PolarHBondContact O-N 2.95Å
448	W	62.1	Low	60.6	Low	172.5 Å²	172.5	98.6 Å²	98.6	65%	0.653	48%	0.48	S	S	*	.	H	α-helix	trans	-71	-33	-175.4	-161.2	24.1	0	0	0	112.6	W444 S445 K446 Y450 G451 L452	W444-W448 HydrophobicContact CD2-CE3 4.08Å; W444-W448 HydrophobicContact CD2-CZ3 4.22Å; W444-W448 HydrophobicContact CE3-CD2 4.27Å; W444-W448 AromaticContact CE3-CE3 3.34Å; W444-W448 HydrophobicContact CE3-CE3 3.34Å; W444-W448 AromaticContact CE3-CZ3 3.69Å; W444-W448 HydrophobicContact CE3-CZ3 3.69Å; W444-W448 AromaticContact CH2-CE3 3.93Å; W444-W448 HydrophobicContact CH2-CE3 3.93Å; W444-W448 HydrophobicContact CH2-CH2 4Å; W444-W448 AromaticContact CH2-CZ3 3.4Å; W444-W448 HydrophobicContact CH2-CZ3 3.4Å; W444-W448 AromaticContact CZ2-CZ3 3.95Å; W444-W448 HydrophobicContact CZ2-CZ3 3.95Å; W444-W448 HydrophobicContact CZ3-CD2 4.07Å; W444-W448 AromaticContact CZ3-CE3 3.26Å; W444-W448 HydrophobicContact CZ3-CE3 3.26Å; W444-W448 HydrophobicContact CZ3-CH2 4.06Å; W444-W448 AromaticContact CZ3-CZ3 3.26Å; W444-W448 HydrophobicContact CZ3-CZ3 3.26Å; W444-W448 PolarHBondContact O-N 3.19Å; S445-W448 PolarHBondContact O-N 3.17Å; K446-W448 VanDerWaalsContact C-N 3.33Å; K446-W448 PolarHBondContact O-N 2.97Å; W448-Y450 PolarHBondContact O-N 3.48Å; W448-G451 PolarHBondContact O-N 3.11Å; W448-L452 WeakPolarHBondContact O-CB 3.5Å; W448-L452 PolarHBondContact O-N 3.15Å
449	R	58.1	Low	61.4	Low	85.5 Å²	85.5	96.1 Å²	96.1	32%	0.323	47%	0.472	S	S	.	.	H	α-helix	trans	-56.9	-47.8	171.9	-76.3	-178.4	175	171.5	3.9	112.2	L435 G436 F438 D439 S445 Y447 L452 T453	L435-R449 PolarHBondContact O-NH2 3.4Å; G436-R449 VanDerWaalsContact O-CZ 3.23Å; G436-R449 PolarHBondContact O-NH1 3.13Å; G436-R449 PolarHBondContact O-NH2 2.91Å; G436-R449 VanDerWaalsContact O-NH2 3.16Å; F438-R449 PolarHBondContact O-NH2 3.29Å; D439-R449 IonicContact OD1-CZ 3.57Å; D439-R449 IonicContact OD1-NH1 3.14Å; D439-R449 PolarHBondContact OD1-NH1 3.44Å; D439-R449 IonicContact OD1-NH2 2.92Å; D439-R449 PolarHBondContact OD1-NH2 3.35Å; S445-R449 WeakPolarHBondContact O-CG 3.42Å; S445-R449 PolarHBondContact O-N 3.3Å; S445-R449 VanDerWaalsContact O-N 3.14Å; S445-R449 PolarHBondContact OG-NE 2.86Å; Y447-R449 VanDerWaalsContact C-N 3.34Å; Y447-R449 PolarHBondContact O-N 2.92Å; R449-L452 PolarHBondContact O-N 3.16Å; R449-T453 PolarHBondContact O-N 3.31Å
450	Y	61.2	Low	62	Low	101 Å²	101	95 Å²	95	40%	0.396	46%	0.461	S	S	.	.	H	α-helix	trans	-70.6	-34.6	176.4	-61.9	-70.3	0	0	0	112.9	K446 Y447 W448 L452 T453 I454 Q543	K446-Y450 VanDerWaalsContact O-CD2 3.23Å; K446-Y450 WeakPolarHBondContact O-CD2 3.41Å; K446-Y450 WeakPolarHBondContact O-CE2 3.35Å; Y447-Y450 PolarHBondContact O-N 3.4Å; W448-Y450 PolarHBondContact O-N 3.48Å; Y450-L452 VanDerWaalsContact C-N 3.33Å; Y450-L452 PolarHBondContact O-N 3Å; Y450-T453 PolarHBondContact O-N 3.48Å; Y450-T453 PolarHBondContact O-OG1 2.95Å; Y450-I454 WeakPolarHBondContact O-CD1 3.35Å; Y450-I454 VanDerWaalsContact O-CG1 3.28Å; Y450-I454 WeakPolarHBondContact O-CG1 3.38Å; Y450-I454 PolarHBondContact O-N 3.47Å; Y450-I454 VanDerWaalsContact O-N 3.16Å; Y450-Q543 HydrophobicContact CD1-CG 4.34Å; Y450-Q543 HydrophobicContact CE1-CG 3.94Å
451	G	69.8	Low	62.7	Low	26 Å²	26	95.3 Å²	95.3	27%	0.268	46%	0.456	S	S	.	.	H	α-helix	trans	-60.3	-44.1	173.5	0	0	0	0	0	112.1	Y447 W448 T453 I454 I455	Y447-G451 PolarHBondContact O-N 2.95Å; W448-G451 PolarHBondContact O-N 3.11Å; G451-T453 PolarHBondContact O-N 3.24Å; G451-I454 PolarHBondContact O-N 3.16Å; G451-I455 WeakPolarHBondContact O-CB 3.43Å; G451-I455 WeakPolarHBondContact O-CD1 3.25Å; G451-I455 VanDerWaalsContact O-CG1 3.24Å; G451-I455 WeakPolarHBondContact O-CG1 3.34Å; G451-I455 PolarHBondContact O-N 3.25Å
452	L	66.8	Low	63.6	Low	51.5 Å²	51.5	91.8 Å²	91.8	27%	0.27	44%	0.44	S	S	.	.	H	α-helix	trans	-65.2	-41.7	-179.8	-165.5	105.6	0	0	0	112.5	L435 W448 R449 Y450 I455 M456	L435-L452 HydrophobicContact CD1-CD2 4.27Å; W448-L452 WeakPolarHBondContact O-CB 3.5Å; W448-L452 PolarHBondContact O-N 3.15Å; R449-L452 PolarHBondContact O-N 3.16Å; Y450-L452 VanDerWaalsContact C-N 3.33Å; Y450-L452 PolarHBondContact O-N 3Å; L452-I455 PolarHBondContact O-N 2.9Å; L452-M456 HydrophobicContact CD2-CG 4.48Å; L452-M456 WeakPolarHBondContact O-CB 3.44Å; L452-M456 VanDerWaalsContact O-CG 3.29Å; L452-M456 WeakPolarHBondContact O-CG 3.48Å; L452-M456 PolarHBondContact O-N 3.26Å
453	T	65.3	Low	64.3	Low	36.5 Å²	36.5	92 Å²	92	22%	0.224	43%	0.434	C	S	.	.	H	α-helix	trans	-66.5	-38.4	177.2	59.3	0	0	0	0	112.2	I432 R449 Y450 G451 S457 H539	I432-T453 HydrophobicContact CG2-CG2 4.1Å; R449-T453 PolarHBondContact O-N 3.31Å; Y450-T453 PolarHBondContact O-N 3.48Å; Y450-T453 PolarHBondContact O-OG1 2.95Å; G451-T453 PolarHBondContact O-N 3.24Å; T453-S457 WeakPolarHBondContact O-CB 3.38Å; T453-S457 PolarHBondContact O-N 2.81Å; T453-H539 WeakPolarHBondContact CB-NE2 3.28Å; T453-H539 PolarHBondContact OG1-NE2 3.21Å
454	I	67.6	Low	64.8	Low	79 Å²	79	89.9 Å²	89.9	41%	0.405	42%	0.421	S	S	.	.	H	α-helix	trans	-64.8	-47.5	175.3	-68.6	167.2	0	0	0	110.6	Y450 G451 M456 S457 I458	Y450-I454 WeakPolarHBondContact O-CD1 3.35Å; Y450-I454 VanDerWaalsContact O-CG1 3.28Å; Y450-I454 WeakPolarHBondContact O-CG1 3.38Å; Y450-I454 PolarHBondContact O-N 3.47Å; Y450-I454 VanDerWaalsContact O-N 3.16Å; G451-I454 PolarHBondContact O-N 3.16Å; I454-M456 PolarHBondContact O-N 2.96Å; I454-S457 PolarHBondContact O-N 3.22Å; I454-I458 HydrophobicContact CG2-CD1 3.78Å; I454-I458 WeakPolarHBondContact O-CG1 3.4Å; I454-I458 PolarHBondContact O-N 3.29Å
455	I	74	Confident	65.4	Low	107 Å²	107	84.8 Å²	84.8	55%	0.549	41%	0.406	S	S	.	.	H	α-helix	trans	-59.8	-46.1	178.6	-70.3	164.1	0	0	0	111.1	G451 L452 S457 I458 L459	G451-I455 WeakPolarHBondContact O-CB 3.43Å; G451-I455 WeakPolarHBondContact O-CD1 3.25Å; G451-I455 VanDerWaalsContact O-CG1 3.24Å; G451-I455 WeakPolarHBondContact O-CG1 3.34Å; G451-I455 PolarHBondContact O-N 3.25Å; L452-I455 PolarHBondContact O-N 2.9Å; I455-S457 VanDerWaalsContact C-N 3.35Å; I455-S457 PolarHBondContact O-N 3.26Å; I455-I458 PolarHBondContact O-N 3.06Å; I455-L459 WeakPolarHBondContact O-CB 3.35Å; I455-L459 PolarHBondContact O-N 3.3Å
456	M	66	Low	65.9	Low	70.5 Å²	70.5	86.2 Å²	86.2	35%	0.347	41%	0.412	S	S	.	.	H	α-helix	trans	-65.3	-36.9	178	-70.6	-64	-174.6	0	0	112.5	I428 I432 L452 I454 L459 Y460	I428-M456 HydrophobicContact CG2-CB 4.22Å; I428-M456 HydrophobicContact CG2-CG 4.16Å; I428-M456 HydrophobicContact CG2-SD 4.13Å; I432-M456 HydrophobicContact CD1-CB 4.31Å; I432-M456 HydrophobicContact CD1-CG 4.31Å; L452-M456 HydrophobicContact CD2-CG 4.48Å; L452-M456 WeakPolarHBondContact O-CB 3.44Å; L452-M456 VanDerWaalsContact O-CG 3.29Å; L452-M456 WeakPolarHBondContact O-CG 3.48Å; L452-M456 PolarHBondContact O-N 3.26Å; I454-M456 PolarHBondContact O-N 2.96Å; M456-L459 PolarHBondContact O-N 3.41Å; M456-L459 HydrophobicContact SD-CD2 4.36Å; M456-Y460 WeakPolarHBondContact O-CB 3.44Å; M456-Y460 PolarHBondContact O-N 2.93Å
457	S	66	Low	66.3	Low	31.5 Å²	31.5	80.3 Å²	80.3	22%	0.22	39%	0.388	C	S	.	.	H	α-helix	trans	-67.1	-35.4	175.4	-168.4	0	0	0	0	112.7	T453 I454 I455 F461	T453-S457 WeakPolarHBondContact O-CB 3.38Å; T453-S457 PolarHBondContact O-N 2.81Å; I454-S457 PolarHBondContact O-N 3.22Å; I455-S457 VanDerWaalsContact C-N 3.35Å; I455-S457 PolarHBondContact O-N 3.26Å; S457-F461 PolarHBondContact O-N 3.13Å; S457-F461 VanDerWaalsContact O-N 3.16Å
458	I	71.9	Confident	66.2	Low	100 Å²	100	74.9 Å²	74.9	51%	0.513	37%	0.367	S	S	.	.	H	α-helix	trans	-70.4	-44.1	174.2	-67.7	165.9	0	0	0	110.2	I454 I455 Y460 F461 V462	I454-I458 HydrophobicContact CG2-CD1 3.78Å; I454-I458 WeakPolarHBondContact O-CG1 3.4Å; I454-I458 PolarHBondContact O-N 3.29Å; I455-I458 PolarHBondContact O-N 3.06Å; I458-Y460 VanDerWaalsContact C-N 3.34Å; I458-Y460 PolarHBondContact O-N 3Å; I458-F461 WeakPolarHBondContact O-CB 3.28Å; I458-F461 PolarHBondContact O-N 3.31Å; I458-F461 VanDerWaalsContact O-N 3.16Å; I458-V462 HydrophobicContact CG2-CG2 4.48Å; I458-V462 WeakPolarHBondContact O-CG2 3.4Å; I458-V462 PolarHBondContact O-N 3.2Å
459	L	73.4	Confident	66	Low	85 Å²	85	68.3 Å²	68.3	45%	0.445	35%	0.352	S	S	.	.	H	α-helix	trans	-60.7	-42.5	177.9	-177.8	61.3	0	0	0	111.8	I455 M456 V462 L463	I455-L459 WeakPolarHBondContact O-CB 3.35Å; I455-L459 PolarHBondContact O-N 3.3Å; M456-L459 PolarHBondContact O-N 3.41Å; M456-L459 HydrophobicContact SD-CD2 4.36Å; L459-V462 PolarHBondContact O-N 3.3Å; L459-L463 HydrophobicContact CD1-CD1 4.27Å; L459-L463 HydrophobicContact CD1-CG 4.33Å; L459-L463 HydrophobicContact CG-CD1 4.01Å; L459-L463 HydrophobicContact CG-CG 4.48Å; L459-L463 WeakPolarHBondContact O-CB 3.35Å; L459-L463 VanDerWaalsContact O-CG 3.31Å; L459-L463 WeakPolarHBondContact O-CG 3.33Å; L459-L463 PolarHBondContact O-N 3.29Å
460	Y	66.7	Low	66	Low	79.5 Å²	79.5	69.4 Å²	69.4	31%	0.312	36%	0.364	S	S	.	.	H	α-helix	trans	-59.8	-45.9	172.8	175.6	-98.8	0	0	0	112.2	I421 W425 M456 I458 V462 L463 F464	I421-Y460 HydrophobicContact CG2-CD2 4.38Å; I421-Y460 HydrophobicContact CG2-CE2 4.06Å; W425-Y460 HydrophobicContact CB-CD2 4.18Å; W425-Y460 HydrophobicContact CB-CE2 3.9Å; W425-Y460 AromaticContact CD1-CD2 3.49Å; W425-Y460 VanDerWaalsContact CD1-CD2 3.49Å; W425-Y460 AromaticContact CD1-CE2 3.68Å; W425-Y460 AromaticContact CD1-CG 3.72Å; W425-Y460 HydrophobicContact CG-CD2 4.17Å; W425-Y460 HydrophobicContact CG-CE2 4.01Å; M456-Y460 WeakPolarHBondContact O-CB 3.44Å; M456-Y460 PolarHBondContact O-N 2.93Å; I458-Y460 VanDerWaalsContact C-N 3.34Å; I458-Y460 PolarHBondContact O-N 3Å; Y460-V462 VanDerWaalsContact C-N 3.32Å; Y460-V462 PolarHBondContact O-N 3.21Å; Y460-L463 PolarHBondContact O-N 3.02Å; Y460-F464 WeakPolarHBondContact O-CB 3.27Å; Y460-F464 PolarHBondContact O-N 2.87Å
461	F	65.4	Low	65.7	Low	79 Å²	79	66.3 Å²	66.3	35%	0.346	36%	0.355	S	S	.	.	H	α-helix	trans	-61	-40.2	176.9	-178.2	-95.6	0	0	0	112.1	S457 I458 N465 N528 L532	S457-F461 PolarHBondContact O-N 3.13Å; S457-F461 VanDerWaalsContact O-N 3.16Å; I458-F461 WeakPolarHBondContact O-CB 3.28Å; I458-F461 PolarHBondContact O-N 3.31Å; I458-F461 VanDerWaalsContact O-N 3.16Å; F461-N465 WeakPolarHBondContact CE1-ND2 3.41Å; F461-N465 WeakPolarHBondContact CE2-ND2 3.32Å; F461-N465 VanDerWaalsContact CZ-ND2 3.33Å; F461-N465 WeakPolarHBondContact CZ-ND2 3.48Å; F461-N465 WeakPolarHBondContact O-CB 3.5Å; F461-N465 PolarHBondContact O-N 3.01Å; F461-N465 VanDerWaalsContact O-N 3.16Å; F461-N465 PolarHBondContact O-ND2 3.18Å; F461-N528 HydrophobicContact CE2-CB 4.34Å; F461-L532 HydrophobicContact CD2-CD1 4.26Å
462	V	72.2	Confident	64.8	Low	74.5 Å²	74.5	68.3 Å²	68.3	45%	0.452	36%	0.358	S	S	.	.	H	α-helix	trans	-64.6	-51.1	174.7	172.6	0	0	0	0	110.8	I458 L459 Y460 F464 N465 V466	I458-V462 HydrophobicContact CG2-CG2 4.48Å; I458-V462 WeakPolarHBondContact O-CG2 3.4Å; I458-V462 PolarHBondContact O-N 3.2Å; L459-V462 PolarHBondContact O-N 3.3Å; Y460-V462 VanDerWaalsContact C-N 3.32Å; Y460-V462 PolarHBondContact O-N 3.21Å; V462-F464 VanDerWaalsContact C-N 3.35Å; V462-F464 PolarHBondContact O-N 3.2Å; V462-N465 PolarHBondContact O-N 3.12Å; V462-V466 HydrophobicContact CG1-CG2 4.23Å; V462-V466 WeakPolarHBondContact O-CB 3.33Å; V462-V466 VanDerWaalsContact O-CG2 3.29Å; V462-V466 WeakPolarHBondContact O-CG2 3.41Å; V462-V466 PolarHBondContact O-N 3Å
463	L	68	Low	63.9	Low	89 Å²	89	72.8 Å²	72.8	47%	0.466	38%	0.375	S	S	.	.	H	α-helix	trans	-60.4	-41.6	-179	-72.4	169.7	0	0	0	112.6	L459 Y460 V466 N467	L459-L463 HydrophobicContact CD1-CD1 4.27Å; L459-L463 HydrophobicContact CD1-CG 4.33Å; L459-L463 HydrophobicContact CG-CD1 4.01Å; L459-L463 HydrophobicContact CG-CG 4.48Å; L459-L463 WeakPolarHBondContact O-CB 3.35Å; L459-L463 VanDerWaalsContact O-CG 3.31Å; L459-L463 WeakPolarHBondContact O-CG 3.33Å; L459-L463 PolarHBondContact O-N 3.29Å; Y460-L463 PolarHBondContact O-N 3.02Å; L463-V466 PolarHBondContact O-N 2.9Å; L463-N467 WeakPolarHBondContact O-CB 3.26Å; L463-N467 PolarHBondContact O-N 3.28Å
464	F	63.2	Low	63.1	Low	62.5 Å²	62.5	75.4 Å²	75.4	27%	0.274	39%	0.385	S	S	.	.	H	α-helix	trans	-63.5	-47.1	177.1	-172.9	-89.6	0	0	0	111.7	Y460 V462 V466 N467 Y468 L524 N528	Y460-F464 WeakPolarHBondContact O-CB 3.27Å; Y460-F464 PolarHBondContact O-N 2.87Å; V462-F464 VanDerWaalsContact C-N 3.35Å; V462-F464 PolarHBondContact O-N 3.2Å; F464-V466 VanDerWaalsContact C-N 3.35Å; F464-V466 PolarHBondContact O-N 3.04Å; F464-N467 PolarHBondContact O-N 2.86Å; F464-Y468 WeakPolarHBondContact O-CB 3.44Å; F464-Y468 PolarHBondContact O-N 3.44Å; F464-L524 HydrophobicContact CE1-CD1 4.43Å; F464-L524 HydrophobicContact CE1-CD2 3.99Å; F464-L524 HydrophobicContact CZ-CD2 4.46Å; F464-N528 VanDerWaalsContact CE1-ND2 3.3Å; F464-N528 WeakPolarHBondContact CE1-ND2 3.46Å
465	N	63	Low	62.3	Low	55.5 Å²	55.5	75.1 Å²	75.1	30%	0.297	39%	0.387	S	S	.	.	H	α-helix	trans	-67	-34.4	177.4	-77.6	-73.6	0	0	0	112.7	F461 V462 G469 N528	F461-N465 WeakPolarHBondContact CE1-ND2 3.41Å; F461-N465 WeakPolarHBondContact CE2-ND2 3.32Å; F461-N465 VanDerWaalsContact CZ-ND2 3.33Å; F461-N465 WeakPolarHBondContact CZ-ND2 3.48Å; F461-N465 WeakPolarHBondContact O-CB 3.5Å; F461-N465 PolarHBondContact O-N 3.01Å; F461-N465 VanDerWaalsContact O-N 3.16Å; F461-N465 PolarHBondContact O-ND2 3.18Å; V462-N465 PolarHBondContact O-N 3.12Å; N465-G469 PolarHBondContact O-N 3.22Å; N465-N528 PolarHBondContact OD1-ND2 3.42Å
466	V	67.7	Low	61	Low	78 Å²	78	73.8 Å²	73.8	47%	0.473	38%	0.384	S	S	.	.	H	α-helix	trans	-67.8	-45.3	175.2	168.5	0	0	0	0	111.2	V462 L463 F464 Y468 G469 L470	V462-V466 HydrophobicContact CG1-CG2 4.23Å; V462-V466 WeakPolarHBondContact O-CB 3.33Å; V462-V466 VanDerWaalsContact O-CG2 3.29Å; V462-V466 WeakPolarHBondContact O-CG2 3.41Å; V462-V466 PolarHBondContact O-N 3Å; L463-V466 PolarHBondContact O-N 2.9Å; F464-V466 VanDerWaalsContact C-N 3.35Å; F464-V466 PolarHBondContact O-N 3.04Å; V466-Y468 PolarHBondContact O-N 3.1Å; V466-G469 PolarHBondContact O-N 3.12Å; V466-L470 HydrophobicContact CG1-CD1 3.93Å; V466-L470 HydrophobicContact CG1-CG 4.49Å; V466-L470 WeakPolarHBondContact O-CG 3.37Å; V466-L470 PolarHBondContact O-N 3.31Å
467	N	62.7	Low	60.2	Low	32 Å²	32	74.6 Å²	74.6	17%	0.171	39%	0.389	C	S	.	.	H	α-helix	trans	-67	-38.2	178.1	-159	50.3	0	0	0	112	T417 N418 I421 L463 F464 G469 L470 T471	T417-N467 PolarHBondContact OG1-ND2 2.74Å; N418-N467 PolarHBondContact OD1-ND2 3.26Å; N418-N467 VanDerWaalsContact OD1-ND2 3.17Å; I421-N467 HydrophobicContact CD1-CB 3.51Å; I421-N467 WeakPolarHBondContact CD1-ND2 3.43Å; L463-N467 WeakPolarHBondContact O-CB 3.26Å; L463-N467 PolarHBondContact O-N 3.28Å; F464-N467 PolarHBondContact O-N 2.86Å; N467-G469 VanDerWaalsContact C-N 3.34Å; N467-L470 PolarHBondContact O-N 3.14Å; N467-T471 WeakPolarHBondContact O-CB 3.36Å; N467-T471 WeakPolarHBondContact O-CG2 3.42Å; N467-T471 PolarHBondContact O-N 3.2Å; N467-T471 PolarHBondContact O-OG1 3.29Å
468	Y	58.9	Low	59.2	Low	77.5 Å²	77.5	79.7 Å²	79.7	30%	0.304	41%	0.407	S	S	.	.	H	α-helix	trans	-64.2	-39	171.6	-165.6	-88.3	0	0	0	111.9	F464 V466 T471 H472 L524	F464-Y468 WeakPolarHBondContact O-CB 3.44Å; F464-Y468 PolarHBondContact O-N 3.44Å; V466-Y468 PolarHBondContact O-N 3.1Å; Y468-T471 WeakPolarHBondContact CA-OG1 3.45Å; Y468-T471 PolarHBondContact O-OG1 3.25Å; Y468-T471 VanDerWaalsContact O-OG1 3.08Å; Y468-H472 HydrophobicContact CE1-CB 4.41Å; Y468-H472 AromaticContact CE1-CD2 3.77Å; Y468-H472 AromaticContact CZ-CD2 3.64Å; Y468-H472 WeakPolarHBondContact O-CB 3.44Å; Y468-H472 PolarHBondContact O-N 3.39Å; Y468-H472 PolarHBondContact OH-CD2 2.82Å; Y468-L524 HydrophobicContact CD1-CD1 4.01Å; Y468-L524 HydrophobicContact CD1-CD2 3.62Å; Y468-L524 HydrophobicContact CD1-CG 4.41Å; Y468-L524 HydrophobicContact CD2-CD1 3.79Å; Y468-L524 HydrophobicContact CE1-CB 4.48Å; Y468-L524 HydrophobicContact CE1-CD1 4.01Å; Y468-L524 HydrophobicContact CE1-CD2 3.52Å; Y468-L524 HydrophobicContact CE1-CG 4.19Å; Y468-L524 HydrophobicContact CE2-CD1 3.84Å; Y468-L524 HydrophobicContact CE2-CD2 4.28Å; Y468-L524 HydrophobicContact CG-CD1 3.9Å; Y468-L524 HydrophobicContact CG-CD2 4.32Å
469	G	58.4	Low	57.8	Low	32.5 Å²	32.5	82.1 Å²	82.1	34%	0.335	41%	0.413	S	S	.	.	H	α-helix	trans	-62.7	-47.1	174.9	0	0	0	0	0	113	N465 V466 N467 H472 F473	N465-G469 PolarHBondContact O-N 3.22Å; V466-G469 PolarHBondContact O-N 3.12Å; N467-G469 VanDerWaalsContact C-N 3.34Å; G469-H472 PolarHBondContact O-N 3.32Å; G469-F473 WeakPolarHBondContact O-CB 3.34Å; G469-F473 PolarHBondContact O-N 3.13Å; G469-F473 VanDerWaalsContact O-N 3.11Å
470	L	57.9	Low	56.5	Low	109 Å²	109	80.5 Å²	80.5	57%	0.571	41%	0.409	S	S	*	.	H	α-helix	trans	-63.2	-51.4	178.9	-73.5	165.3	0	0	0	112	V466 N467 H472 F473 E474	V466-L470 HydrophobicContact CG1-CD1 3.93Å; V466-L470 HydrophobicContact CG1-CG 4.49Å; V466-L470 WeakPolarHBondContact O-CG 3.37Å; V466-L470 PolarHBondContact O-N 3.31Å; N467-L470 PolarHBondContact O-N 3.14Å; L470-H472 VanDerWaalsContact C-N 3.29Å; L470-H472 PolarHBondContact O-N 3.26Å; L470-F473 PolarHBondContact O-N 3.11Å; L470-E474 PolarHBondContact O-N 3.41Å
471	T	54.8	Low	55.3	Low	36.5 Å²	36.5	82.1 Å²	82.1	22%	0.224	42%	0.423	C	S	.	.	H	α-helix	trans	-61.1	-36.1	179.3	49.4	0	0	0	0	112.5	L414 N467 Y468 T475	L414-T471 HydrophobicContact CD2-CG2 3.72Å; L414-T471 HydrophobicContact CG-CG2 3.96Å; N467-T471 WeakPolarHBondContact O-CB 3.36Å; N467-T471 WeakPolarHBondContact O-CG2 3.42Å; N467-T471 PolarHBondContact O-N 3.2Å; N467-T471 PolarHBondContact O-OG1 3.29Å; Y468-T471 WeakPolarHBondContact CA-OG1 3.45Å; Y468-T471 PolarHBondContact O-OG1 3.25Å; Y468-T471 VanDerWaalsContact O-OG1 3.08Å; T471-T475 PolarHBondContact O-OG1 3.42Å
472	H	50.3	Low	54.2	Low	68 Å²	68	87 Å²	87	32%	0.315	45%	0.445	S	S	.	.	H	α-helix	trans	-78.9	-26.2	177.6	-134.8	-31.4	0	0	0	113.5	Y468 G469 L470 E474 T475 V476 R521	Y468-H472 HydrophobicContact CE1-CB 4.41Å; Y468-H472 AromaticContact CE1-CD2 3.77Å; Y468-H472 AromaticContact CZ-CD2 3.64Å; Y468-H472 WeakPolarHBondContact O-CB 3.44Å; Y468-H472 PolarHBondContact O-N 3.39Å; Y468-H472 PolarHBondContact OH-CD2 2.82Å; G469-H472 PolarHBondContact O-N 3.32Å; L470-H472 VanDerWaalsContact C-N 3.29Å; L470-H472 PolarHBondContact O-N 3.26Å; H472-E474 PolarHBondContact O-N 3.24Å; H472-T475 WeakPolarHBondContact CA-OG1 3.4Å; H472-T475 PolarHBondContact ND1-OG1 3Å; H472-T475 PolarHBondContact O-N 3.35Å; H472-T475 PolarHBondContact O-OG1 3.17Å; H472-V476 VanDerWaalsContact O-CG2 3.28Å; H472-V476 WeakPolarHBondContact O-CG2 3.36Å; H472-V476 PolarHBondContact O-N 3.18Å; H472-V476 VanDerWaalsContact O-N 3.13Å; H472-R521 PolarHBondContact NE2-NH2 2.67Å
473	F	48.5	Very low	53	Low	145.5 Å²	145.5	89.4 Å²	89.4	64%	0.638	45%	0.454	S	S	*	.	H	α-helix	trans	-64.3	-44.5	177.8	-120.3	-84.1	0	0	0	112.3	G469 L470 T475 V476 I477	G469-F473 WeakPolarHBondContact O-CB 3.34Å; G469-F473 PolarHBondContact O-N 3.13Å; G469-F473 VanDerWaalsContact O-N 3.11Å; L470-F473 PolarHBondContact O-N 3.11Å; F473-T475 VanDerWaalsContact C-N 3.33Å; F473-T475 PolarHBondContact O-N 2.95Å; F473-V476 PolarHBondContact O-N 3.35Å; F473-I477 HydrophobicContact CD1-CD1 4.05Å; F473-I477 HydrophobicContact CD1-CG1 4.46Å; F473-I477 WeakPolarHBondContact O-CG1 3.39Å; F473-I477 PolarHBondContact O-N 3.15Å; F473-I477 VanDerWaalsContact O-N 3.09Å
474	E	49.1	Very low	51.7	Low	91.5 Å²	91.5	91.5 Å²	91.5	43%	0.428	47%	0.466	S	S	.	.	H	α-helix	trans	-59.7	-42.3	175.3	-78.8	-150.8	134.8	0	0	112.6	L470 H472 V476 I477 K478	L470-E474 PolarHBondContact O-N 3.41Å; H472-E474 PolarHBondContact O-N 3.24Å; E474-V476 VanDerWaalsContact C-N 3.28Å; E474-V476 PolarHBondContact O-N 3.2Å; E474-I477 PolarHBondContact O-N 3.14Å; E474-K478 VanDerWaalsContact O-CB 3.31Å; E474-K478 WeakPolarHBondContact O-CB 3.41Å; E474-K478 VanDerWaalsContact O-CG 3.3Å; E474-K478 WeakPolarHBondContact O-CG 3.42Å; E474-K478 PolarHBondContact O-N 3.3Å; E474-K478 IonicContact OE1-NZ 2.82Å; E474-K478 PolarHBondContact OE1-NZ 3.09Å; E474-K478 IonicContact OE2-NZ 3.25Å; E474-K478 PolarHBondContact OE2-NZ 3.49Å
475	T	49.5	Very low	50.6	Low	73 Å²	73	94.9 Å²	94.9	45%	0.448	49%	0.486	S	S	.	.	H	α-helix	trans	-67.6	-29.7	179.8	60.9	0	0	0	0	112.4	T471 H472 F473 K479	T471-T475 PolarHBondContact O-OG1 3.42Å; H472-T475 WeakPolarHBondContact CA-OG1 3.4Å; H472-T475 PolarHBondContact ND1-OG1 3Å; H472-T475 PolarHBondContact O-N 3.35Å; H472-T475 PolarHBondContact O-OG1 3.17Å; F473-T475 VanDerWaalsContact C-N 3.33Å; F473-T475 PolarHBondContact O-N 2.95Å; T475-K479 VanDerWaalsContact O-CB 3.28Å; T475-K479 WeakPolarHBondContact O-CB 3.43Å; T475-K479 PolarHBondContact O-N 3.34Å
476	V	48.3	Very low	49.5	Very low	79.5 Å²	79.5	99 Å²	99	48%	0.482	51%	0.514	S	S	.	.	H	α-helix	trans	-74.2	-43.7	174.4	172.3	0	0	0	0	111	H472 F473 E474 K479 S480	H472-V476 VanDerWaalsContact O-CG2 3.28Å; H472-V476 WeakPolarHBondContact O-CG2 3.36Å; H472-V476 PolarHBondContact O-N 3.18Å; H472-V476 VanDerWaalsContact O-N 3.13Å; F473-V476 PolarHBondContact O-N 3.35Å; E474-V476 VanDerWaalsContact C-N 3.28Å; E474-V476 PolarHBondContact O-N 3.2Å; V476-K479 CarbonylContact O-C 3.59Å; V476-K479 PolarHBondContact O-N 3.18Å; V476-K479 VanDerWaalsContact O-N 3.1Å; V476-S480 PolarHBondContact O-N 3.17Å; V476-S480 PolarHBondContact O-OG 3.19Å
477	I	48.5	Very low	47.8	Very low	87.5 Å²	87.5	102.3 Å²	102.3	45%	0.449	53%	0.529	S	S	.	.	H	α-helix	trans	-64.3	-43.2	177.3	-67.3	168	0	0	0	111.2	F473 E474 K479 S480 N481	F473-I477 HydrophobicContact CD1-CD1 4.05Å; F473-I477 HydrophobicContact CD1-CG1 4.46Å; F473-I477 WeakPolarHBondContact O-CG1 3.39Å; F473-I477 PolarHBondContact O-N 3.15Å; F473-I477 VanDerWaalsContact O-N 3.09Å; E474-I477 PolarHBondContact O-N 3.14Å; I477-K479 PolarHBondContact O-N 3.29Å; I477-S480 WeakPolarHBondContact CA-OG 3.21Å; I477-S480 PolarHBondContact O-N 3.45Å; I477-S480 PolarHBondContact O-OG 2.93Å; I477-N481 VanDerWaalsContact O-CG 3.29Å; I477-N481 PolarHBondContact O-N 3.34Å; I477-N481 VanDerWaalsContact O-N 3.13Å; I477-N481 PolarHBondContact O-OD1 2.97Å
478	K	45.4	Very low	46.4	Very low	137.5 Å²	137.5	107.9 Å²	107.9	60%	0.598	57%	0.565	S	S	*	*	H	α-helix	trans	-63.6	-24.5	174.4	-73.7	165.5	178.1	159	0	112.3	E474	E474-K478 VanDerWaalsContact O-CB 3.31Å; E474-K478 WeakPolarHBondContact O-CB 3.41Å; E474-K478 VanDerWaalsContact O-CG 3.3Å; E474-K478 WeakPolarHBondContact O-CG 3.42Å; E474-K478 PolarHBondContact O-N 3.3Å; E474-K478 IonicContact OE1-NZ 2.82Å; E474-K478 PolarHBondContact OE1-NZ 3.09Å; E474-K478 IonicContact OE2-NZ 3.25Å; E474-K478 PolarHBondContact OE2-NZ 3.49Å
479	K	42.6	Very low	45.2	Very low	151 Å²	151	107.5 Å²	107.5	66%	0.657	58%	0.584	S	S	*	*	H	α-helix	trans	-91.2	-31	178.3	-161.9	166.5	-171.6	173.3	0	113.9	T475 V476 I477 F482 I483	T475-K479 VanDerWaalsContact O-CB 3.28Å; T475-K479 WeakPolarHBondContact O-CB 3.43Å; T475-K479 PolarHBondContact O-N 3.34Å; V476-K479 CarbonylContact O-C 3.59Å; V476-K479 PolarHBondContact O-N 3.18Å; V476-K479 VanDerWaalsContact O-N 3.1Å; I477-K479 PolarHBondContact O-N 3.29Å; K479-F482 PolarHBondContact O-N 2.83Å; K479-I483 HydrophobicContact CG-CD1 4.49Å; K479-I483 VanDerWaalsContact O-CD1 3.32Å; K479-I483 WeakPolarHBondContact O-CD1 3.45Å; K479-I483 WeakPolarHBondContact O-CG1 3.27Å
480	S	45	Very low	44.1	Very low	50.5 Å²	50.5	112.3 Å²	112.3	35%	0.353	61%	0.607	S	S	.	*	H	α-helix	trans	-66.6	-39.9	172.1	56.2	0	0	0	0	111.8	V476 I477 F482 I483	V476-S480 PolarHBondContact O-N 3.17Å; V476-S480 PolarHBondContact O-OG 3.19Å; I477-S480 WeakPolarHBondContact CA-OG 3.21Å; I477-S480 PolarHBondContact O-N 3.45Å; I477-S480 PolarHBondContact O-OG 2.93Å; S480-F482 PolarHBondContact O-N 3.45Å; S480-I483 PolarHBondContact O-N 3.31Å
481	N	41.7	Very low	43	Very low	113.5 Å²	113.5	114 Å²	114	61%	0.607	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-12	-177.5	-64	7.9	0	0	0	112.9	I477	I477-N481 VanDerWaalsContact O-CG 3.29Å; I477-N481 PolarHBondContact O-N 3.34Å; I477-N481 VanDerWaalsContact O-N 3.13Å; I477-N481 PolarHBondContact O-OD1 2.97Å
482	F	43.4	Very low	41.9	Very low	182.5 Å²	182.5	122.8 Å²	122.8	80%	0.8	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-3.6	175.1	-143.5	-88.6	0	0	0	113.4	K479 S480	K479-F482 PolarHBondContact O-N 2.83Å; S480-F482 PolarHBondContact O-N 3.45Å
483	I	47.1	Very low	41.1	Very low	124.5 Å²	124.5	125.8 Å²	125.8	64%	0.638	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-15.4	-175.9	-70	168.7	0	0	0	112.2	K479 S480 N485	K479-I483 HydrophobicContact CG-CD1 4.49Å; K479-I483 VanDerWaalsContact O-CD1 3.32Å; K479-I483 WeakPolarHBondContact O-CD1 3.45Å; K479-I483 WeakPolarHBondContact O-CG1 3.27Å; S480-I483 PolarHBondContact O-N 3.31Å; I483-N485 PolarHBondContact O-N 2.89Å
484	N	40.3	Very low	40.4	Very low	134 Å²	134	126 Å²	126	72%	0.717	67%	0.67	S	S	*	*	S	Bend	trans	-91.9	10.9	-173.5	-70.7	0.9	0	0	0	114.9
485	N	39.5	Very low	39.6	Very low	132.5 Å²	132.5	130.1 Å²	130.1	71%	0.709	69%	0.687	S	S	*	*	S	Bend	trans	-126.3	150.2	178.6	-83.2	-15.4	0	0	0	111.4	I483	I483-N485 PolarHBondContact O-N 2.89Å
486	T	39.4	Very low	39	Very low	143.5 Å²	143.5	131.9 Å²	131.9	88%	0.88	70%	0.698	S	S	*	*			trans	73.4	103.6	178.8	62.4	0	0	0	0	116.6
487	D	32.1	Very low	38.1	Very low	147 Å²	147	135.2 Å²	135.2	79%	0.786	71%	0.713	S	S	*	*			trans	-79.3	168.7	172	-62.5	-85.2	0	0	0	113.7
488	T	34.6	Very low	37.5	Very low	149.5 Å²	149.5	136 Å²	136	92%	0.917	73%	0.726	S	S	*	*			trans	71.1	139.4	164.5	71.8	0	0	0	0	118.3
489	G	33.4	Very low	37	Very low	69.5 Å²	69.5	134.5 Å²	134.5	72%	0.716	73%	0.733	S	S	*	*			trans	130.9	61.3	161	0	0	0	0	0	117.3	N491	G489-N491 PolarHBondContact O-N 3.14Å
490	T	34.6	Very low	36.5	Very low	132 Å²	132	135.7 Å²	135.7	81%	0.81	75%	0.746	S	S	*	*			trans	-7.8	132.3	169.2	52	0	0	0	0	117.8
491	N	35	Very low	35.9	Very low	146 Å²	146	138.3 Å²	138.3	78%	0.781	76%	0.762	S	S	*	*			trans	137	78.8	149.5	-84.2	-20	0	0	0	115.8	G489	G489-N491 PolarHBondContact O-N 3.14Å
492	Y	31.5	Very low	35.7	Very low	220 Å²	220	136.4 Å²	136.4	86%	0.863	76%	0.756	S	S	*	*			trans	-33	106.9	149	-99.8	-93.1	0	0	0	114.8
493	I	33.6	Very low	35.7	Very low	130.5 Å²	130.5	135.9 Å²	135.9	67%	0.669	76%	0.757	S	S	*	*			trans	139	98.2	162.7	-58.2	-176.8	0	0	0	113.4	F495	I493-F495 HydrophobicContact CG2-CD2 3.75Å; I493-F495 HydrophobicContact CG2-CE2 4.23Å; I493-F495 PolarHBondContact O-N 2.92Å; I493-F495 VanDerWaalsContact O-N 3.13Å
494	I	34.8	Very low	35.8	Very low	149.5 Å²	149.5	139.5 Å²	139.5	77%	0.767	76%	0.762	S	S	*	*			trans	-2.3	111.2	154.9	-63.1	178.1	0	0	0	113	V496	I494-V496 HydrophobicContact CG2-CG2 3.9Å
495	F	31.1	Very low	36.1	Very low	178.5 Å²	178.5	137.5 Å²	137.5	78%	0.783	75%	0.75	S	S	*	*				-110.1	140.9	79.7	-117.8	-127.1	0	0	0	111.5	I493	I493-F495 HydrophobicContact CG2-CD2 3.75Å; I493-F495 HydrophobicContact CG2-CE2 4.23Å; I493-F495 PolarHBondContact O-N 2.92Å; I493-F495 VanDerWaalsContact O-N 3.13Å
496	V	36.3	Very low	36.4	Very low	111.5 Å²	111.5	138.6 Å²	138.6	68%	0.676	75%	0.751	S	S	*	*			trans	-29.6	119.3	153.1	-179.9	0	0	0	0	113.2	I494	I494-V496 HydrophobicContact CG2-CG2 3.9Å
497	N	31.3	Very low	36.4	Very low	148 Å²	148	140.8 Å²	140.8	79%	0.791	75%	0.749	S	S	*	*				24.1	142.9	112.2	-97.3	-28.2	0	0	0	116.2
498	S	34.7	Very low	37	Very low	103.5 Å²	103.5	137.2 Å²	137.2	72%	0.724	74%	0.74	S	S	*	*				76.8	132.8	116.7	86.8	0	0	0	0	115.5
499	S	34.5	Very low	37.3	Very low	106 Å²	106	134.8 Å²	134.8	74%	0.741	73%	0.725	S	S	*	*				-154.5	159	58.3	55.6	0	0	0	0	110.8	C501	S499-C501 PolarHBondContact O-N 3.45Å
500	L	33.2	Very low	37.8	Very low	178 Å²	178	139.2 Å²	139.2	93%	0.932	73%	0.731	S	S	*	*			trans	0.6	92.7	176.2	-67.5	112.3	0	0	0	115.3
501	C	32.7	Very low	38.5	Very low	103.5 Å²	103.5	138.7 Å²	138.7	70%	0.699	72%	0.722	S	S	*	*			trans	-139.5	136.4	154.3	-149	0	0	0	0	109.4	S499	S499-C501 PolarHBondContact O-N 3.45Å
502	P	37.5	Very low	38.8	Very low	74.5 Å²	74.5	139.2 Å²	139.2	48%	0.484	72%	0.72	S	S	.	*			trans	-81.3	149.9	-159.2	12.5	-7	0	0	0	114.4	W504 I505	P502-W504 VanDerWaalsContact C-N 3.3Å; P502-W504 HydrophobicContact CG-CZ2 4.4Å; P502-W504 VanDerWaalsContact CG-NE1 3.27Å; P502-W504 PolarHBondContact O-N 3.26Å; P502-W504 VanDerWaalsContact O-N 3.12Å; P502-I505 HydrophobicContact CG-CD1 4.24Å; P502-I505 PolarHBondContact O-N 3.25Å
503	Q	42.3	Very low	39.7	Very low	172.5 Å²	172.5	133.1 Å²	133.1	81%	0.806	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-61.4	-15.2	-167.6	-69.2	173.4	-25	0	0	116.5	I505 Q506	Q503-I505 PolarHBondContact O-N 2.97Å; Q503-Q506 PolarHBondContact O-N 3.24Å
504	W	48.4	Very low	40.6	Very low	199.5 Å²	199.5	131 Å²	131	76%	0.756	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-66.4	-28	177.3	59.8	-62.6	0	0	0	113.8	P502 Q506 K507	P502-W504 VanDerWaalsContact C-N 3.3Å; P502-W504 HydrophobicContact CG-CZ2 4.4Å; P502-W504 VanDerWaalsContact CG-NE1 3.27Å; P502-W504 PolarHBondContact O-N 3.26Å; P502-W504 VanDerWaalsContact O-N 3.12Å; W504-Q506 VanDerWaalsContact C-N 3.3Å; W504-Q506 PolarHBondContact O-N 2.87Å; W504-K507 PolarHBondContact O-N 3.43Å
505	I	47.4	Very low	41.1	Very low	91.5 Å²	91.5	130.3 Å²	130.3	47%	0.469	69%	0.693	S	S	.	*	G	3₁₀ helix	trans	-70.7	-30.1	-178.4	-63.3	174.1	0	0	0	111.8	P502 Q503 K507 A508	P502-I505 HydrophobicContact CG-CD1 4.24Å; P502-I505 PolarHBondContact O-N 3.25Å; Q503-I505 PolarHBondContact O-N 2.97Å; I505-K507 PolarHBondContact O-N 3.32Å; I505-A508 WeakPolarHBondContact O-CB 3.43Å; I505-A508 PolarHBondContact O-N 3.4Å
506	Q	45.8	Very low	42.1	Very low	156 Å²	156	128.6 Å²	128.6	73%	0.729	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-73.6	-14.9	-178.5	-118.7	177.3	-9	0	0	114.2	Q503 W504	Q503-Q506 PolarHBondContact O-N 3.24Å; W504-Q506 VanDerWaalsContact C-N 3.3Å; W504-Q506 PolarHBondContact O-N 2.87Å
507	K	40	Very low	42.8	Very low	189.5 Å²	189.5	130.5 Å²	130.5	82%	0.824	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-92.6	-2.5	175.9	-71.6	-171.9	175.3	-178.2	0	114.5	W504 I505 T509	W504-K507 PolarHBondContact O-N 3.43Å; I505-K507 PolarHBondContact O-N 3.32Å; K507-T509 PolarHBondContact O-N 3.49Å; K507-T509 VanDerWaalsContact O-N 3.13Å
508	A	44.6	Very low	43.8	Very low	72 Å²	72	128.1 Å²	128.1	60%	0.595	67%	0.668	S	S	*	*			trans	-93.4	34.2	-178	0	0	0	0	0	113.1	I505 L510	I505-A508 WeakPolarHBondContact O-CB 3.43Å; I505-A508 PolarHBondContact O-N 3.4Å; A508-L510 PolarHBondContact O-N 3.29Å
509	T	41.5	Very low	44.7	Very low	98 Å²	98	127.4 Å²	127.4	60%	0.601	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	84.9	-174.5	55.3	0	0	0	0	113.7	K507 I511	K507-T509 PolarHBondContact O-N 3.49Å; K507-T509 VanDerWaalsContact O-N 3.13Å; T509-I511 PolarHBondContact O-N 3.05Å
510	L	44	Very low	45.8	Very low	163.5 Å²	163.5	129.5 Å²	129.5	86%	0.856	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	4.9	179.1	-78.6	168.6	0	0	0	115.6	A508	A508-L510 PolarHBondContact O-N 3.29Å
511	I	47.6	Very low	47	Very low	121.5 Å²	121.5	128.9 Å²	128.9	62%	0.623	64%	0.639	S	S	*	*			trans	-103.7	13.6	-174	-52.4	178	0	0	0	111.5	T509 I514	T509-I511 PolarHBondContact O-N 3.05Å; I511-I514 HydrophobicContact CG2-CB 4.2Å; I511-I514 HydrophobicContact CG2-CD1 3.56Å; I511-I514 HydrophobicContact CG2-CG1 3.93Å; I511-I514 WeakPolarHBondContact O-CB 3.34Å; I511-I514 PolarHBondContact O-N 3.48Å; I511-I514 VanDerWaalsContact O-N 3.09Å
512	Q	43.1	Very low	48.4	Very low	155.5 Å²	155.5	124.1 Å²	124.1	73%	0.727	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-70.3	-25.4	-178.5	-119.9	173.1	-11.4	0	0	116.8	I514	Q512-I514 PolarHBondContact O-N 2.91Å
513	P	48.8	Very low	49.7	Very low	91.5 Å²	91.5	124.2 Å²	124.2	59%	0.594	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-75.7	-8	178.8	5.9	-0.6	0	0	0	114.5	W516 W517	P513-W516 PolarHBondContact O-NE1 2.89Å; P513-W517 PolarHBondContact O-N 3.25Å
514	I	52.2	Low	50.8	Low	87 Å²	87	118 Å²	118	45%	0.446	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-85.6	-22.8	-172.3	-63.6	-177.7	0	0	0	112.3	I511 Q512 W516 W517 T518	I511-I514 HydrophobicContact CG2-CB 4.2Å; I511-I514 HydrophobicContact CG2-CD1 3.56Å; I511-I514 HydrophobicContact CG2-CG1 3.93Å; I511-I514 WeakPolarHBondContact O-CB 3.34Å; I511-I514 PolarHBondContact O-N 3.48Å; I511-I514 VanDerWaalsContact O-N 3.09Å; Q512-I514 PolarHBondContact O-N 2.91Å; I514-W516 VanDerWaalsContact C-N 3.28Å; I514-W516 PolarHBondContact O-N 2.92Å; I514-W516 VanDerWaalsContact O-N 3.14Å; I514-W517 HydrophobicContact CD1-CE3 4.49Å; I514-W517 HydrophobicContact CG1-CE3 4.43Å; I514-W517 HydrophobicContact CG2-CB 4.14Å; I514-W517 HydrophobicContact CG2-CE3 4.12Å; I514-W517 WeakPolarHBondContact O-CB 3.26Å; I514-W517 PolarHBondContact O-N 3.42Å; I514-W517 VanDerWaalsContact O-N 3.12Å; I514-T518 PolarHBondContact O-N 2.93Å
515	L	46.3	Very low	51.8	Low	135 Å²	135	116.4 Å²	116.4	71%	0.707	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-66	-32.9	-176	-160.2	68.3	0	0	0	113.4	W517 T518 D519	L515-W517 PolarHBondContact O-N 3.06Å; L515-T518 PolarHBondContact O-N 2.94Å; L515-T518 PolarHBondContact O-OG1 2.98Å; L515-D519 PolarHBondContact O-N 2.94Å
516	W	51.4	Low	52.7	Low	142 Å²	142	118.6 Å²	118.6	54%	0.538	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-66.3	-21	173.1	132.1	-3.3	0	0	0	113.1	P513 I514 T518 G522 W525	P513-W516 PolarHBondContact O-NE1 2.89Å; I514-W516 VanDerWaalsContact C-N 3.28Å; I514-W516 PolarHBondContact O-N 2.92Å; I514-W516 VanDerWaalsContact O-N 3.14Å; W516-T518 VanDerWaalsContact C-N 3.29Å; W516-G522 WeakPolarHBondContact O-CA 3.34Å; W516-W525 HydrophobicContact CH2-CD2 4.18Å; W516-W525 AromaticContact CH2-CE3 3.89Å; W516-W525 HydrophobicContact CH2-CE3 3.89Å; W516-W525 HydrophobicContact CH2-CZ3 4.35Å
517	W	50.9	Low	54.1	Low	152 Å²	152	114.5 Å²	114.5	58%	0.576	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-76.8	-22.7	179	-143.4	0.3	0	0	0	112.7	P513 I514 L515	P513-W517 PolarHBondContact O-N 3.25Å; I514-W517 HydrophobicContact CD1-CE3 4.49Å; I514-W517 HydrophobicContact CG1-CE3 4.43Å; I514-W517 HydrophobicContact CG2-CB 4.14Å; I514-W517 HydrophobicContact CG2-CE3 4.12Å; I514-W517 WeakPolarHBondContact O-CB 3.26Å; I514-W517 PolarHBondContact O-N 3.42Å; I514-W517 VanDerWaalsContact O-N 3.12Å; L515-W517 PolarHBondContact O-N 3.06Å
518	T	54.1	Low	55.7	Low	98.5 Å²	98.5	106.7 Å²	106.7	60%	0.604	52%	0.524	S	S	*	.	S	Bend	trans	-91.9	-14.8	176.2	40.8	0	0	0	0	114.4	I514 L515 W516	I514-T518 PolarHBondContact O-N 2.93Å; L515-T518 PolarHBondContact O-N 2.94Å; L515-T518 PolarHBondContact O-OG1 2.98Å; W516-T518 VanDerWaalsContact C-N 3.29Å
519	D	51.7	Low	57.3	Low	88 Å²	88	107.8 Å²	107.8	47%	0.471	52%	0.519	S	S	.	.	S	Bend	trans	-66.3	157.3	179.4	-115.1	-26.4	0	0	0	112.6	L515 R521 G522 I523	L515-D519 PolarHBondContact O-N 2.94Å; D519-R521 HydrophobicContact CB-CB 4.44Å; D519-R521 PolarHBondContact O-N 2.9Å; D519-R521 VanDerWaalsContact O-N 3.1Å; D519-G522 WeakPolarHBondContact O-CA 3.4Å; D519-G522 PolarHBondContact O-N 3.22Å; D519-I523 PolarHBondContact O-N 3.06Å
520	H	59.4	Low	58.8	Low	150 Å²	150	106 Å²	106	69%	0.694	51%	0.514	S	S	*	.	H	α-helix	trans	-53.5	-32.5	172.7	-80.8	-81.6	0	0	0	112.6	L524	H520-L524 PolarHBondContact O-N 3.13Å; H520-L524 VanDerWaalsContact O-N 3.11Å
521	R	56.6	Low	60.4	Low	166 Å²	166	101.7 Å²	101.7	63%	0.626	50%	0.495	S	S	*	.	H	α-helix	trans	-68	-40	173.9	-65.1	-180	176	-174.3	-2.4	112.3	H472 D519 L524 W525	H472-R521 PolarHBondContact NE2-NH2 2.67Å; D519-R521 HydrophobicContact CB-CB 4.44Å; D519-R521 PolarHBondContact O-N 2.9Å; D519-R521 VanDerWaalsContact O-N 3.1Å; R521-L524 PolarHBondContact O-N 2.99Å; R521-W525 PolarHBondContact O-N 3Å; R521-W525 VanDerWaalsContact O-N 3.15Å
522	G	62.6	Low	61.7	Low	2 Å²	2	99 Å²	99	2%	0.021	48%	0.482	C	S	.	.	H	α-helix	trans	-66.7	-36.8	175.2	0	0	0	0	0	112.9	W516 D519 W525 R526	W516-G522 WeakPolarHBondContact O-CA 3.34Å; D519-G522 WeakPolarHBondContact O-CA 3.4Å; D519-G522 PolarHBondContact O-N 3.22Å; G522-W525 PolarHBondContact O-N 2.97Å; G522-R526 WeakPolarHBondContact O-CB 3.41Å; G522-R526 WeakPolarHBondContact O-CG 3.48Å; G522-R526 PolarHBondContact O-N 3.3Å
523	I	65.3	Low	63.3	Low	76.5 Å²	76.5	94.5 Å²	94.5	39%	0.392	47%	0.466	S	S	.	.	H	α-helix	trans	-62.7	-45.7	174.7	-65.6	169.7	0	0	0	111.1	D519 R526 T527	D519-I523 PolarHBondContact O-N 3.06Å; I523-R526 WeakPolarHBondContact O-CB 3.32Å; I523-R526 PolarHBondContact O-N 3.35Å; I523-T527 PolarHBondContact O-N 3.1Å; I523-T527 PolarHBondContact O-OG1 3Å; I523-T527 VanDerWaalsContact O-OG1 3.11Å
524	L	64.9	Low	64.6	Low	41.5 Å²	41.5	93 Å²	93	22%	0.217	46%	0.461	C	S	.	.	H	α-helix	trans	-66.4	-41.3	178.5	-165.7	109.3	0	0	0	111.9	F464 Y468 H520 R521 R526 T527 N528	F464-L524 HydrophobicContact CE1-CD1 4.43Å; F464-L524 HydrophobicContact CE1-CD2 3.99Å; F464-L524 HydrophobicContact CZ-CD2 4.46Å; Y468-L524 HydrophobicContact CD1-CD1 4.01Å; Y468-L524 HydrophobicContact CD1-CD2 3.62Å; Y468-L524 HydrophobicContact CD1-CG 4.41Å; Y468-L524 HydrophobicContact CD2-CD1 3.79Å; Y468-L524 HydrophobicContact CE1-CB 4.48Å; Y468-L524 HydrophobicContact CE1-CD1 4.01Å; Y468-L524 HydrophobicContact CE1-CD2 3.52Å; Y468-L524 HydrophobicContact CE1-CG 4.19Å; Y468-L524 HydrophobicContact CE2-CD1 3.84Å; Y468-L524 HydrophobicContact CE2-CD2 4.28Å; Y468-L524 HydrophobicContact CG-CD1 3.9Å; Y468-L524 HydrophobicContact CG-CD2 4.32Å; H520-L524 PolarHBondContact O-N 3.13Å; H520-L524 VanDerWaalsContact O-N 3.11Å; R521-L524 PolarHBondContact O-N 2.99Å; L524-R526 VanDerWaalsContact C-N 3.25Å; L524-R526 PolarHBondContact O-N 3.49Å; L524-T527 WeakPolarHBondContact CA-OG1 3.45Å; L524-T527 PolarHBondContact O-N 2.95Å; L524-T527 VanDerWaalsContact O-N 3.14Å; L524-T527 PolarHBondContact O-OG1 3.17Å; L524-N528 WeakPolarHBondContact O-CB 3.46Å; L524-N528 PolarHBondContact O-N 3.03Å; L524-N528 VanDerWaalsContact O-N 3.17Å
525	W	70	Confident	65.9	Low	166.5 Å²	166.5	91.8 Å²	91.8	63%	0.631	46%	0.455	S	S	*	.	H	α-helix	trans	-63	-39.6	173.3	-126.6	17.1	0	0	0	111.9	W516 R521 G522 N528 L529	W516-W525 HydrophobicContact CH2-CD2 4.18Å; W516-W525 AromaticContact CH2-CE3 3.89Å; W516-W525 HydrophobicContact CH2-CE3 3.89Å; W516-W525 HydrophobicContact CH2-CZ3 4.35Å; R521-W525 PolarHBondContact O-N 3Å; R521-W525 VanDerWaalsContact O-N 3.15Å; G522-W525 PolarHBondContact O-N 2.97Å; W525-N528 PolarHBondContact O-N 3.11Å; W525-L529 VanDerWaalsContact O-CB 3.24Å; W525-L529 WeakPolarHBondContact O-CB 3.4Å; W525-L529 PolarHBondContact O-N 3.23Å
526	R	67	Low	67.3	Low	138.5 Å²	138.5	89.8 Å²	89.8	52%	0.523	45%	0.445	S	S	.	.	H	α-helix	trans	-63.3	-42.4	175.9	-126.6	173.2	62.7	-160	-2.3	112.5	G522 I523 L524 A530	G522-R526 WeakPolarHBondContact O-CB 3.41Å; G522-R526 WeakPolarHBondContact O-CG 3.48Å; G522-R526 PolarHBondContact O-N 3.3Å; I523-R526 WeakPolarHBondContact O-CB 3.32Å; I523-R526 PolarHBondContact O-N 3.35Å; L524-R526 VanDerWaalsContact C-N 3.25Å; L524-R526 PolarHBondContact O-N 3.49Å; R526-A530 VanDerWaalsContact O-CB 3.23Å; R526-A530 WeakPolarHBondContact O-CB 3.37Å; R526-A530 PolarHBondContact O-N 3.4Å
527	T	75	Confident	68.6	Low	68.5 Å²	68.5	86.4 Å²	86.4	42%	0.42	44%	0.442	S	S	.	.	H	α-helix	trans	-68.7	-43.9	177.4	49	0	0	0	0	111.9	I523 L524 A530 T531	I523-T527 PolarHBondContact O-N 3.1Å; I523-T527 PolarHBondContact O-OG1 3Å; I523-T527 VanDerWaalsContact O-OG1 3.11Å; L524-T527 WeakPolarHBondContact CA-OG1 3.45Å; L524-T527 PolarHBondContact O-N 2.95Å; L524-T527 VanDerWaalsContact O-N 3.14Å; L524-T527 PolarHBondContact O-OG1 3.17Å; T527-A530 PolarHBondContact O-N 3.22Å; T527-T531 WeakPolarHBondContact O-CG2 3.29Å; T527-T531 PolarHBondContact O-N 3.11Å; T527-T531 PolarHBondContact O-OG1 3.33Å
528	N	73.1	Confident	69.9	Low	26.5 Å²	26.5	81.6 Å²	81.6	14%	0.142	44%	0.435	C	S	.	.	H	α-helix	trans	-66.8	-37.5	178.1	-74	-2.4	0	0	0	112.7	F461 F464 N465 L524 W525 T531 L532	F461-N528 HydrophobicContact CE2-CB 4.34Å; F464-N528 VanDerWaalsContact CE1-ND2 3.3Å; F464-N528 WeakPolarHBondContact CE1-ND2 3.46Å; N465-N528 PolarHBondContact OD1-ND2 3.42Å; L524-N528 WeakPolarHBondContact O-CB 3.46Å; L524-N528 PolarHBondContact O-N 3.03Å; L524-N528 VanDerWaalsContact O-N 3.17Å; W525-N528 PolarHBondContact O-N 3.11Å; N528-T531 PolarHBondContact O-OG1 3.13Å; N528-T531 VanDerWaalsContact O-OG1 3.09Å; N528-L532 VanDerWaalsContact O-CB 3.26Å; N528-L532 WeakPolarHBondContact O-CB 3.3Å; N528-L532 PolarHBondContact O-N 3.08Å; N528-L532 VanDerWaalsContact O-N 3.11Å
529	L	77.4	Confident	71.1	Confident	95.5 Å²	95.5	79.5 Å²	79.5	50%	0.5	42%	0.418	S	S	.	.	H	α-helix	trans	-69	-41.2	174.1	-174.5	61.9	0	0	0	111.2	W525 L532 C533	W525-L529 VanDerWaalsContact O-CB 3.24Å; W525-L529 WeakPolarHBondContact O-CB 3.4Å; W525-L529 PolarHBondContact O-N 3.23Å; L529-L532 PolarHBondContact O-N 3.4Å; L529-C533 WeakPolarHBondContact O-CB 3.4Å; L529-C533 PolarHBondContact O-N 3.21Å; L529-C533 PolarHBondContact O-SG 2.84Å; L529-C533 VanDerWaalsContact O-SG 3.33Å
530	A	74.5	Confident	72.3	Confident	59.5 Å²	59.5	80.1 Å²	80.1	49%	0.492	42%	0.421	S	S	.	.	H	α-helix	trans	-63.7	-42.8	177.1	0	0	0	0	0	112.6	R526 T527 A534	R526-A530 VanDerWaalsContact O-CB 3.23Å; R526-A530 WeakPolarHBondContact O-CB 3.37Å; R526-A530 PolarHBondContact O-N 3.4Å; T527-A530 PolarHBondContact O-N 3.22Å; A530-A534 WeakPolarHBondContact O-CB 3.34Å; A530-A534 PolarHBondContact O-N 3.09Å
531	T	76.5	Confident	73.4	Confident	74.5 Å²	74.5	77.1 Å²	77.1	46%	0.457	41%	0.409	S	S	.	.	H	α-helix	trans	-67.4	-41.4	176	54	0	0	0	0	111.8	T527 N528 A534 I535	T527-T531 WeakPolarHBondContact O-CG2 3.29Å; T527-T531 PolarHBondContact O-N 3.11Å; T527-T531 PolarHBondContact O-OG1 3.33Å; N528-T531 PolarHBondContact O-OG1 3.13Å; N528-T531 VanDerWaalsContact O-OG1 3.09Å; T531-A534 PolarHBondContact O-N 3.13Å; T531-I535 WeakPolarHBondContact O-CB 3.4Å; T531-I535 WeakPolarHBondContact O-CD1 3.35Å; T531-I535 VanDerWaalsContact O-CG1 3.24Å; T531-I535 WeakPolarHBondContact O-CG1 3.45Å; T531-I535 PolarHBondContact O-N 3.23Å
532	L	74.5	Confident	74.4	Confident	64.5 Å²	64.5	70.7 Å²	70.7	34%	0.338	40%	0.395	S	S	.	.	H	α-helix	trans	-62.7	-43.7	175.4	-175.3	145.8	0	0	0	111.9	F461 N528 L529 I535 L536	F461-L532 HydrophobicContact CD2-CD1 4.26Å; N528-L532 VanDerWaalsContact O-CB 3.26Å; N528-L532 WeakPolarHBondContact O-CB 3.3Å; N528-L532 PolarHBondContact O-N 3.08Å; N528-L532 VanDerWaalsContact O-N 3.11Å; L529-L532 PolarHBondContact O-N 3.4Å; L532-I535 PolarHBondContact O-N 3.09Å; L532-L536 HydrophobicContact CD2-CD1 3.68Å; L532-L536 HydrophobicContact CD2-CG 4.42Å; L532-L536 WeakPolarHBondContact O-CG 3.38Å; L532-L536 PolarHBondContact O-N 2.91Å
533	C	76.8	Confident	75.2	Confident	60 Å²	60	74.9 Å²	74.9	41%	0.405	41%	0.414	S	S	.	.	H	α-helix	trans	-61.6	-43.9	172.7	-73.5	0	0	0	0	112	L529 I535 L536 C537	L529-C533 WeakPolarHBondContact O-CB 3.4Å; L529-C533 PolarHBondContact O-N 3.21Å; L529-C533 PolarHBondContact O-SG 2.84Å; L529-C533 VanDerWaalsContact O-SG 3.33Å; C533-I535 PolarHBondContact O-N 3.19Å; C533-L536 PolarHBondContact O-N 3.19Å; C533-C537 WeakPolarHBondContact O-CB 3.25Å; C533-C537 PolarHBondContact O-N 2.99Å; C533-C537 PolarHBondContact O-SG 3.06Å
534	A	76.5	Confident	75.8	Confident	59.5 Å²	59.5	77.2 Å²	77.2	49%	0.492	43%	0.426	S	S	.	.	H	α-helix	trans	-62.1	-42.2	177.2	0	0	0	0	0	112.3	A530 T531 C537 A538	A530-A534 WeakPolarHBondContact O-CB 3.34Å; A530-A534 PolarHBondContact O-N 3.09Å; T531-A534 PolarHBondContact O-N 3.13Å; A534-C537 PolarHBondContact O-N 3.31Å; A534-A538 WeakPolarHBondContact O-CB 3.38Å; A534-A538 PolarHBondContact O-N 2.89Å
535	I	79	Confident	76.6	Confident	62 Å²	62	77.9 Å²	77.9	32%	0.318	43%	0.432	S	S	.	.	H	α-helix	trans	-63.9	-42.8	176.3	-69.9	162.7	0	0	0	111	T531 L532 C533 A538 H539	T531-I535 WeakPolarHBondContact O-CB 3.4Å; T531-I535 WeakPolarHBondContact O-CD1 3.35Å; T531-I535 VanDerWaalsContact O-CG1 3.24Å; T531-I535 WeakPolarHBondContact O-CG1 3.45Å; T531-I535 PolarHBondContact O-N 3.23Å; L532-I535 PolarHBondContact O-N 3.09Å; C533-I535 PolarHBondContact O-N 3.19Å; I535-A538 PolarHBondContact O-N 3.08Å; I535-H539 PolarHBondContact O-N 3.29Å; I535-H539 PolarHBondContact O-ND1 3.43Å
536	L	75.8	Confident	77	Confident	94.5 Å²	94.5	71.5 Å²	71.5	50%	0.495	42%	0.415	S	S	.	.	H	α-helix	trans	-64.5	-45.3	175.5	-73.1	175	0	0	0	111.9	L532 C533 A538 H539 L540	L532-L536 HydrophobicContact CD2-CD1 3.68Å; L532-L536 HydrophobicContact CD2-CG 4.42Å; L532-L536 WeakPolarHBondContact O-CG 3.38Å; L532-L536 PolarHBondContact O-N 2.91Å; C533-L536 PolarHBondContact O-N 3.19Å; L536-A538 VanDerWaalsContact C-N 3.35Å; L536-A538 PolarHBondContact O-N 3.39Å; L536-H539 PolarHBondContact O-N 3.28Å; L536-L540 WeakPolarHBondContact O-CB 3.37Å; L536-L540 WeakPolarHBondContact O-CG 3.45Å; L536-L540 PolarHBondContact O-N 2.93Å
537	C	78.8	Confident	77.6	Confident	70 Å²	70	68.3 Å²	68.3	47%	0.473	41%	0.411	S	S	.	.	H	α-helix	trans	-59.4	-43.9	175.3	-71.7	0	0	0	0	111.8	C533 A534 H539 L540 I541	C533-C537 WeakPolarHBondContact O-CB 3.25Å; C533-C537 PolarHBondContact O-N 2.99Å; C533-C537 PolarHBondContact O-SG 3.06Å; A534-C537 PolarHBondContact O-N 3.31Å; C537-H539 PolarHBondContact O-N 3.17Å; C537-L540 PolarHBondContact O-N 3.22Å; C537-I541 WeakPolarHBondContact O-CB 3.41Å; C537-I541 WeakPolarHBondContact O-CD1 3.38Å; C537-I541 VanDerWaalsContact O-CG1 3.24Å; C537-I541 WeakPolarHBondContact O-CG1 3.29Å; C537-I541 PolarHBondContact O-N 3.09Å
538	A	78.3	Confident	77.7	Confident	50.5 Å²	50.5	69.6 Å²	69.6	42%	0.417	41%	0.408	S	S	.	.	H	α-helix	trans	-62	-42.3	176.6	0	0	0	0	0	112.5	A534 I535 L536 G542	A534-A538 WeakPolarHBondContact O-CB 3.38Å; A534-A538 PolarHBondContact O-N 2.89Å; I535-A538 PolarHBondContact O-N 3.08Å; L536-A538 VanDerWaalsContact C-N 3.35Å; L536-A538 PolarHBondContact O-N 3.39Å; A538-G542 PolarHBondContact O-N 3.15Å
539	H	79.5	Confident	78	Confident	54 Å²	54	70.7 Å²	70.7	25%	0.25	42%	0.416	C	S	.	.	H	α-helix	trans	-65.9	-41.4	175.6	-78.9	82.9	0	0	0	112.4	T453 I535 L536 C537 G542 Q543	T453-H539 WeakPolarHBondContact CB-NE2 3.28Å; T453-H539 PolarHBondContact OG1-NE2 3.21Å; I535-H539 PolarHBondContact O-N 3.29Å; I535-H539 PolarHBondContact O-ND1 3.43Å; L536-H539 PolarHBondContact O-N 3.28Å; C537-H539 PolarHBondContact O-N 3.17Å; H539-G542 PolarHBondContact O-N 2.95Å; H539-Q543 WeakPolarHBondContact O-CB 3.48Å; H539-Q543 WeakPolarHBondContact O-CG 3.36Å; H539-Q543 PolarHBondContact O-N 3.34Å
540	L	77.8	Confident	78	Confident	101 Å²	101	69 Å²	69	53%	0.529	41%	0.411	S	S	.	.	H	α-helix	trans	-64.2	-44.5	176.3	-71.9	170	0	0	0	111.8	L536 C537 G542 Q543 L544	L536-L540 WeakPolarHBondContact O-CB 3.37Å; L536-L540 WeakPolarHBondContact O-CG 3.45Å; L536-L540 PolarHBondContact O-N 2.93Å; C537-L540 PolarHBondContact O-N 3.22Å; L540-G542 VanDerWaalsContact C-N 3.35Å; L540-G542 PolarHBondContact O-N 3.48Å; L540-Q543 PolarHBondContact O-N 3.35Å; L540-L544 WeakPolarHBondContact O-CB 3.3Å; L540-L544 VanDerWaalsContact O-CG 3.3Å; L540-L544 WeakPolarHBondContact O-CG 3.38Å; L540-L544 PolarHBondContact O-N 2.9Å
541	I	81.7	Confident	78.2	Confident	87.5 Å²	87.5	74.5 Å²	74.5	45%	0.449	42%	0.419	S	S	.	.	H	α-helix	trans	-61.7	-43.8	175.1	-70.4	165.8	0	0	0	110.6	C537 Q543 L544 V545	C537-I541 WeakPolarHBondContact O-CB 3.41Å; C537-I541 WeakPolarHBondContact O-CD1 3.38Å; C537-I541 VanDerWaalsContact O-CG1 3.24Å; C537-I541 WeakPolarHBondContact O-CG1 3.29Å; C537-I541 PolarHBondContact O-N 3.09Å; I541-Q543 PolarHBondContact O-N 3.32Å; I541-L544 PolarHBondContact O-N 2.95Å; I541-V545 HydrophobicContact CG2-CG2 4.47Å; I541-V545 WeakPolarHBondContact O-CG2 3.34Å; I541-V545 PolarHBondContact O-N 2.95Å
542	G	77.6	Confident	78.1	Confident	32.5 Å²	32.5	75 Å²	75	34%	0.335	42%	0.416	S	S	.	.	H	α-helix	trans	-60.6	-43.5	175.3	0	0	0	0	0	113.2	A538 H539 L540 V545 A546	A538-G542 PolarHBondContact O-N 3.15Å; H539-G542 PolarHBondContact O-N 2.95Å; L540-G542 VanDerWaalsContact C-N 3.35Å; L540-G542 PolarHBondContact O-N 3.48Å; G542-V545 PolarHBondContact O-N 3.23Å; G542-A546 WeakPolarHBondContact O-CB 3.38Å; G542-A546 PolarHBondContact O-N 3.38Å
543	Q	79.5	Confident	78.1	Confident	90 Å²	90	80.6 Å²	80.6	42%	0.421	43%	0.433	S	S	.	.	H	α-helix	trans	-64.8	-42.2	175	-74.1	179.2	7.1	0	0	112.3	Y450 H539 L540 I541 A546 V547	Y450-Q543 HydrophobicContact CD1-CG 4.34Å; Y450-Q543 HydrophobicContact CE1-CG 3.94Å; H539-Q543 WeakPolarHBondContact O-CB 3.48Å; H539-Q543 WeakPolarHBondContact O-CG 3.36Å; H539-Q543 PolarHBondContact O-N 3.34Å; L540-Q543 PolarHBondContact O-N 3.35Å; I541-Q543 PolarHBondContact O-N 3.32Å; Q543-A546 PolarHBondContact O-N 3.15Å; Q543-V547 WeakPolarHBondContact O-CG2 3.37Å; Q543-V547 PolarHBondContact O-N 3.43Å
544	L	77.8	Confident	78	Confident	123.5 Å²	123.5	85.4 Å²	85.4	65%	0.647	44%	0.444	S	S	*	.	H	α-helix	trans	-60.8	-45.5	176	-74.3	168	0	0	0	111.5	L540 I541 V547 W548	L540-L544 WeakPolarHBondContact O-CB 3.3Å; L540-L544 VanDerWaalsContact O-CG 3.3Å; L540-L544 WeakPolarHBondContact O-CG 3.38Å; L540-L544 PolarHBondContact O-N 2.9Å; I541-L544 PolarHBondContact O-N 2.95Å; L544-V547 PolarHBondContact O-N 3.22Å; L544-W548 VanDerWaalsContact O-CB 3.25Å; L544-W548 WeakPolarHBondContact O-CB 3.36Å; L544-W548 PolarHBondContact O-N 3.15Å
545	V	80.8	Confident	77.9	Confident	57 Å²	57	91.4 Å²	91.4	35%	0.345	45%	0.454	S	S	.	.	H	α-helix	trans	-64.5	-42.1	175.2	171	0	0	0	0	111.4	I541 G542 V547 W548 T549	I541-V545 HydrophobicContact CG2-CG2 4.47Å; I541-V545 WeakPolarHBondContact O-CG2 3.34Å; I541-V545 PolarHBondContact O-N 2.95Å; G542-V545 PolarHBondContact O-N 3.23Å; V545-V547 VanDerWaalsContact C-N 3.34Å; V545-V547 PolarHBondContact O-N 3.48Å; V545-W548 PolarHBondContact O-N 2.96Å; V545-W548 VanDerWaalsContact O-N 3.17Å; V545-T549 HydrophobicContact CG1-CG2 4.08Å; V545-T549 WeakPolarHBondContact O-CB 3.35Å; V545-T549 WeakPolarHBondContact O-CG2 3.44Å; V545-T549 PolarHBondContact O-N 3.08Å; V545-T549 PolarHBondContact O-OG1 3.22Å
546	A	78.5	Confident	77.7	Confident	32.5 Å²	32.5	93.1 Å²	93.1	27%	0.269	46%	0.463	S	S	.	.	H	α-helix	trans	-62.6	-40.9	177.5	0	0	0	0	0	112.7	G542 Q543 T549 S550	G542-A546 WeakPolarHBondContact O-CB 3.38Å; G542-A546 PolarHBondContact O-N 3.38Å; Q543-A546 PolarHBondContact O-N 3.15Å; A546-T549 PolarHBondContact O-OG1 3.28Å; A546-S550 VanDerWaalsContact O-CB 3.25Å; A546-S550 WeakPolarHBondContact O-CB 3.36Å; A546-S550 PolarHBondContact O-N 3.14Å; A546-S550 VanDerWaalsContact O-N 3.1Å; A546-S550 PolarHBondContact O-OG 2.92Å
547	V	80.1	Confident	77.9	Confident	71 Å²	71	95.3 Å²	95.3	43%	0.43	47%	0.469	S	S	.	.	H	α-helix	trans	-68.6	-42.9	174.7	170.6	0	0	0	0	111	Q543 L544 V545 S550 R551	Q543-V547 WeakPolarHBondContact O-CG2 3.37Å; Q543-V547 PolarHBondContact O-N 3.43Å; L544-V547 PolarHBondContact O-N 3.22Å; V545-V547 VanDerWaalsContact C-N 3.34Å; V545-V547 PolarHBondContact O-N 3.48Å; V547-S550 PolarHBondContact O-N 3.49Å; V547-R551 WeakPolarHBondContact O-CB 3.47Å; V547-R551 WeakPolarHBondContact O-CG 3.47Å; V547-R551 PolarHBondContact O-N 3.32Å
548	W	76.7	Confident	77.9	Confident	96.5 Å²	96.5	96.4 Å²	96.4	37%	0.366	47%	0.47	S	S	.	.	H	α-helix	trans	-66.3	-48.5	-179.6	180	74.9	0	0	0	112.2	L544 V545 S550 R551 H552 F1349	L544-W548 VanDerWaalsContact O-CB 3.25Å; L544-W548 WeakPolarHBondContact O-CB 3.36Å; L544-W548 PolarHBondContact O-N 3.15Å; V545-W548 PolarHBondContact O-N 2.96Å; V545-W548 VanDerWaalsContact O-N 3.17Å; W548-S550 VanDerWaalsContact C-N 3.31Å; W548-S550 PolarHBondContact O-N 3.07Å; W548-R551 PolarHBondContact O-N 3.32Å; W548-R551 VanDerWaalsContact O-N 3.17Å; W548-H552 AromaticContact CH2-CD2 3.6Å; W548-H552 AromaticContact CZ2-CD2 3.63Å; W548-H552 WeakPolarHBondContact O-CB 3.35Å; W548-H552 PolarHBondContact O-N 2.96Å; W548-F1349 HydrophobicContact CD2-CZ 4.24Å; W548-F1349 AromaticContact CE2-CE2 3.64Å; W548-F1349 AromaticContact CE2-CZ 3.64Å; W548-F1349 HydrophobicContact CE3-CZ 4.47Å; W548-F1349 HydrophobicContact CH2-CD1 4.22Å; W548-F1349 HydrophobicContact CH2-CD2 4.25Å; W548-F1349 AromaticContact CH2-CE1 3.81Å; W548-F1349 HydrophobicContact CH2-CE1 3.81Å; W548-F1349 AromaticContact CH2-CE2 3.87Å; W548-F1349 HydrophobicContact CH2-CE2 3.87Å; W548-F1349 HydrophobicContact CH2-CG 4.43Å; W548-F1349 AromaticContact CH2-CZ 3.63Å; W548-F1349 HydrophobicContact CH2-CZ 3.63Å; W548-F1349 HydrophobicContact CZ2-CD1 4.48Å; W548-F1349 AromaticContact CZ2-CD2 3.76Å; W548-F1349 HydrophobicContact CZ2-CD2 3.76Å; W548-F1349 HydrophobicContact CZ2-CE1 4Å; W548-F1349 AromaticContact CZ2-CE2 3.2Å; W548-F1349 HydrophobicContact CZ2-CE2 3.2Å; W548-F1349 HydrophobicContact CZ2-CG 4.38Å; W548-F1349 AromaticContact CZ2-CZ 3.33Å; W548-F1349 HydrophobicContact CZ2-CZ 3.33Å; W548-F1349 HydrophobicContact CZ3-CE1 4.28Å; W548-F1349 HydrophobicContact CZ3-CZ 4.18Å; W548-F1349 AromaticContact NE1-CE2 3.92Å
549	T	79.9	Confident	78.1	Confident	49 Å²	49	98.9 Å²	98.9	30%	0.301	48%	0.475	S	S	.	.	H	α-helix	trans	-62.9	-36.7	175.5	54.3	0	0	0	0	112	V545 A546 H552 R553	V545-T549 HydrophobicContact CG1-CG2 4.08Å; V545-T549 WeakPolarHBondContact O-CB 3.35Å; V545-T549 WeakPolarHBondContact O-CG2 3.44Å; V545-T549 PolarHBondContact O-N 3.08Å; V545-T549 PolarHBondContact O-OG1 3.22Å; A546-T549 PolarHBondContact O-OG1 3.28Å; T549-H552 PolarHBondContact O-N 3.11Å; T549-R553 WeakPolarHBondContact O-CB 3.22Å; T549-R553 WeakPolarHBondContact O-CG 3.38Å; T549-R553 PolarHBondContact O-N 2.98Å
550	S	78.3	Confident	78	Confident	58.5 Å²	58.5	98.9 Å²	98.9	41%	0.409	48%	0.484	S	S	.	.	H	α-helix	trans	-63.9	-44	174.1	-115.2	0	0	0	0	111.8	A546 V547 W548 H552 R553 Y554	A546-S550 VanDerWaalsContact O-CB 3.25Å; A546-S550 WeakPolarHBondContact O-CB 3.36Å; A546-S550 PolarHBondContact O-N 3.14Å; A546-S550 VanDerWaalsContact O-N 3.1Å; A546-S550 PolarHBondContact O-OG 2.92Å; V547-S550 PolarHBondContact O-N 3.49Å; W548-S550 VanDerWaalsContact C-N 3.31Å; W548-S550 PolarHBondContact O-N 3.07Å; S550-H552 VanDerWaalsContact C-N 3.31Å; S550-H552 PolarHBondContact O-N 3.31Å; S550-R553 PolarHBondContact O-N 2.7Å; S550-Y554 WeakPolarHBondContact O-CD2 3.46Å; S550-Y554 PolarHBondContact O-N 3.21Å
551	R	78.6	Confident	77.9	Confident	175 Å²	175	96.7 Å²	96.7	66%	0.66	48%	0.477	S	S	*	.	H	α-helix	trans	-63.6	-39	174	-75.1	173.2	173.5	163.8	-1.4	112	V547 W548 Y554 R555	V547-R551 WeakPolarHBondContact O-CB 3.47Å; V547-R551 WeakPolarHBondContact O-CG 3.47Å; V547-R551 PolarHBondContact O-N 3.32Å; W548-R551 PolarHBondContact O-N 3.32Å; W548-R551 VanDerWaalsContact O-N 3.17Å; R551-Y554 PolarHBondContact O-N 3.34Å; R551-R555 PolarHBondContact O-N 2.99Å
552	H	74.7	Confident	77.6	Confident	85 Å²	85	100 Å²	100	39%	0.394	49%	0.485	S	S	.	.	H	α-helix	trans	-66.9	-42.6	178.3	-159.9	-58.6	0	0	0	112	W548 T549 S550 Y554 R555 L556	W548-H552 AromaticContact CH2-CD2 3.6Å; W548-H552 AromaticContact CZ2-CD2 3.63Å; W548-H552 WeakPolarHBondContact O-CB 3.35Å; W548-H552 PolarHBondContact O-N 2.96Å; T549-H552 PolarHBondContact O-N 3.11Å; S550-H552 VanDerWaalsContact C-N 3.31Å; S550-H552 PolarHBondContact O-N 3.31Å; H552-Y554 VanDerWaalsContact C-N 3.34Å; H552-Y554 PolarHBondContact O-N 2.97Å; H552-R555 PolarHBondContact O-N 3.38Å; H552-L556 VanDerWaalsContact CE1-CD1 3.48Å; H552-L556 WeakPolarHBondContact CE1-CD1 3.46Å; H552-L556 WeakPolarHBondContact O-CD1 3.4Å; H552-L556 PolarHBondContact O-N 3.4Å
553	R	73.1	Confident	77.6	Confident	184 Å²	184	101.5 Å²	101.5	69%	0.694	49%	0.488	S	S	*	.	H	α-helix	trans	-61	-43.2	173.3	-73.2	177.9	-177	-171.1	2.1	111.8	T549 S550 L556 F557	T549-R553 WeakPolarHBondContact O-CB 3.22Å; T549-R553 WeakPolarHBondContact O-CG 3.38Å; T549-R553 PolarHBondContact O-N 2.98Å; S550-R553 PolarHBondContact O-N 2.7Å; R553-L556 PolarHBondContact O-N 3.37Å; R553-F557 WeakPolarHBondContact O-CB 3.47Å; R553-F557 PolarHBondContact O-N 2.97Å
554	Y	74.7	Confident	77.4	Confident	160.5 Å²	160.5	101.9 Å²	101.9	63%	0.629	49%	0.49	S	S	*	.	H	α-helix	trans	-64	-41	175.6	-121.3	-85	0	0	0	112.5	S550 R551 H552 F557 L558	S550-Y554 WeakPolarHBondContact O-CD2 3.46Å; S550-Y554 PolarHBondContact O-N 3.21Å; R551-Y554 PolarHBondContact O-N 3.34Å; H552-Y554 VanDerWaalsContact C-N 3.34Å; H552-Y554 PolarHBondContact O-N 2.97Å; Y554-F557 PolarHBondContact O-N 3.21Å; Y554-L558 HydrophobicContact CD1-CD1 3.84Å; Y554-L558 HydrophobicContact CD1-CG 4.36Å; Y554-L558 HydrophobicContact CE1-CD1 3.61Å; Y554-L558 HydrophobicContact CE1-CG 4.17Å; Y554-L558 WeakPolarHBondContact O-CG 3.24Å; Y554-L558 PolarHBondContact O-N 3.17Å
555	R	73.8	Confident	77.4	Confident	184 Å²	184	98.4 Å²	98.4	69%	0.694	48%	0.479	S	S	*	.	H	α-helix	trans	-62.8	-43.9	174	-79.9	-172	169.4	-154.9	-4.4	112.8	R551 H552 F557 L558 I559	R551-R555 PolarHBondContact O-N 2.99Å; H552-R555 PolarHBondContact O-N 3.38Å; R555-F557 VanDerWaalsContact C-N 3.34Å; R555-F557 PolarHBondContact O-N 3.01Å; R555-L558 PolarHBondContact O-N 2.88Å; R555-I559 VanDerWaalsContact O-CG1 3.29Å; R555-I559 WeakPolarHBondContact O-CG1 3.28Å; R555-I559 PolarHBondContact O-N 3.16Å
556	L	75.3	Confident	77.5	Confident	99 Å²	99	98.8 Å²	98.8	52%	0.518	48%	0.478	S	S	.	.	H	α-helix	trans	-62.8	-41.7	176.2	-107.9	71.8	0	0	0	111.9	H552 R553 I559 A560	H552-L556 VanDerWaalsContact CE1-CD1 3.48Å; H552-L556 WeakPolarHBondContact CE1-CD1 3.46Å; H552-L556 WeakPolarHBondContact O-CD1 3.4Å; H552-L556 PolarHBondContact O-N 3.4Å; R553-L556 PolarHBondContact O-N 3.37Å; L556-I559 PolarHBondContact O-N 2.98Å; L556-A560 VanDerWaalsContact O-CB 3.3Å; L556-A560 WeakPolarHBondContact O-CB 3.32Å; L556-A560 PolarHBondContact O-N 3.08Å
557	F	81.2	Confident	77.6	Confident	140.5 Å²	140.5	102 Å²	102	62%	0.616	49%	0.489	S	S	*	.	H	α-helix	trans	-61.5	-45.7	176.2	178.5	-98.7	0	0	0	112.1	R553 Y554 R555 A560 S561	R553-F557 WeakPolarHBondContact O-CB 3.47Å; R553-F557 PolarHBondContact O-N 2.97Å; Y554-F557 PolarHBondContact O-N 3.21Å; R555-F557 VanDerWaalsContact C-N 3.34Å; R555-F557 PolarHBondContact O-N 3.01Å; F557-A560 PolarHBondContact O-N 2.83Å; F557-S561 WeakPolarHBondContact O-CB 3.31Å; F557-S561 PolarHBondContact O-N 3.24Å; F557-S561 PolarHBondContact O-OG 3.22Å
558	L	78.4	Confident	77.6	Confident	93 Å²	93	105 Å²	105	49%	0.487	50%	0.497	S	S	.	.	H	α-helix	trans	-61.9	-47	176.7	-72.7	172.5	0	0	0	111.8	Y554 R555 A560 S561 Y562	Y554-L558 HydrophobicContact CD1-CD1 3.84Å; Y554-L558 HydrophobicContact CD1-CG 4.36Å; Y554-L558 HydrophobicContact CE1-CD1 3.61Å; Y554-L558 HydrophobicContact CE1-CG 4.17Å; Y554-L558 WeakPolarHBondContact O-CG 3.24Å; Y554-L558 PolarHBondContact O-N 3.17Å; R555-L558 PolarHBondContact O-N 2.88Å; L558-A560 VanDerWaalsContact C-N 3.32Å; L558-A560 PolarHBondContact O-N 2.86Å; L558-S561 WeakPolarHBondContact CA-OG 3.32Å; L558-S561 PolarHBondContact O-N 3.22Å; L558-S561 PolarHBondContact O-OG 3.03Å; L558-Y562 VanDerWaalsContact O-CB 3.31Å; L558-Y562 WeakPolarHBondContact O-CB 3.29Å; L558-Y562 PolarHBondContact O-N 2.93Å
559	I	81.1	Confident	77.8	Confident	103 Å²	103	108.7 Å²	108.7	53%	0.528	51%	0.511	S	S	.	.	H	α-helix	trans	-60.8	-44.1	177.4	-67.6	165	0	0	0	110.8	R555 L556 S561 Y562 T563	R555-I559 VanDerWaalsContact O-CG1 3.29Å; R555-I559 WeakPolarHBondContact O-CG1 3.28Å; R555-I559 PolarHBondContact O-N 3.16Å; L556-I559 PolarHBondContact O-N 2.98Å; I559-S561 PolarHBondContact O-N 3.5Å; I559-Y562 PolarHBondContact O-N 3.44Å; I559-T563 WeakPolarHBondContact O-CB 3.42Å; I559-T563 WeakPolarHBondContact O-CG2 3.21Å; I559-T563 PolarHBondContact O-N 3.14Å; I559-T563 PolarHBondContact O-OG1 3.34Å
560	A	78.1	Confident	77.9	Confident	54.5 Å²	54.5	111.2 Å²	111.2	45%	0.45	52%	0.522	S	S	.	.	H	α-helix	trans	-63.5	-41.7	177.1	0	0	0	0	0	112.5	L556 F557 L558 T563 Q564	L556-A560 VanDerWaalsContact O-CB 3.3Å; L556-A560 WeakPolarHBondContact O-CB 3.32Å; L556-A560 PolarHBondContact O-N 3.08Å; F557-A560 PolarHBondContact O-N 2.83Å; L558-A560 VanDerWaalsContact C-N 3.32Å; L558-A560 PolarHBondContact O-N 2.86Å; A560-T563 WeakPolarHBondContact CA-OG1 3.35Å; A560-T563 PolarHBondContact O-OG1 2.87Å; A560-Q564 VanDerWaalsContact O-CB 3.25Å; A560-Q564 WeakPolarHBondContact O-CB 3.28Å; A560-Q564 PolarHBondContact O-N 2.95Å
561	S	75.4	Confident	77.9	Confident	54 Å²	54	114 Å²	114	38%	0.378	53%	0.529	S	S	.	.	H	α-helix	trans	-67.3	-35.7	175.7	64.9	0	0	0	0	113	F557 L558 I559 A565	F557-S561 WeakPolarHBondContact O-CB 3.31Å; F557-S561 PolarHBondContact O-N 3.24Å; F557-S561 PolarHBondContact O-OG 3.22Å; L558-S561 WeakPolarHBondContact CA-OG 3.32Å; L558-S561 PolarHBondContact O-N 3.22Å; L558-S561 PolarHBondContact O-OG 3.03Å; I559-S561 PolarHBondContact O-N 3.5Å; S561-A565 WeakPolarHBondContact O-CB 3.3Å; S561-A565 PolarHBondContact O-N 3.3Å
562	Y	76.9	Confident	77.8	Confident	156.5 Å²	156.5	110.1 Å²	110.1	61%	0.614	52%	0.519	S	S	*	.	H	α-helix	trans	-69.9	-45.7	177.2	177.3	-105.8	0	0	0	111.7	L558 I559 Q564 A565 I566	L558-Y562 VanDerWaalsContact O-CB 3.31Å; L558-Y562 WeakPolarHBondContact O-CB 3.29Å; L558-Y562 PolarHBondContact O-N 2.93Å; I559-Y562 PolarHBondContact O-N 3.44Å; Y562-Q564 PolarHBondContact O-N 3.31Å; Y562-A565 PolarHBondContact O-N 3.03Å; Y562-I566 HydrophobicContact CD1-CD1 3.85Å; Y562-I566 HydrophobicContact CE1-CD1 3.39Å; Y562-I566 HydrophobicContact CE2-CD1 4.22Å; Y562-I566 HydrophobicContact CG-CD1 4.44Å; Y562-I566 WeakPolarHBondContact O-CG1 3.4Å; Y562-I566 PolarHBondContact O-N 3.02Å
563	T	75.9	Confident	77.8	Confident	63.5 Å²	63.5	110 Å²	110	39%	0.39	52%	0.524	S	S	.	.	H	α-helix	trans	-63.8	-40	174.5	49.1	0	0	0	0	111.9	I559 A560 A565 I566 I567	I559-T563 WeakPolarHBondContact O-CB 3.42Å; I559-T563 WeakPolarHBondContact O-CG2 3.21Å; I559-T563 PolarHBondContact O-N 3.14Å; I559-T563 PolarHBondContact O-OG1 3.34Å; A560-T563 WeakPolarHBondContact CA-OG1 3.35Å; A560-T563 PolarHBondContact O-OG1 2.87Å; T563-A565 VanDerWaalsContact C-N 3.33Å; T563-A565 PolarHBondContact O-N 3.04Å; T563-I566 PolarHBondContact O-N 3.03Å; T563-I567 VanDerWaalsContact O-CG1 3.3Å; T563-I567 WeakPolarHBondContact O-CG1 3.3Å; T563-I567 PolarHBondContact O-N 2.99Å
564	Q	76.9	Confident	78.1	Confident	99.5 Å²	99.5	107.1 Å²	107.1	47%	0.465	52%	0.519	S	S	.	.	H	α-helix	trans	-62.3	-40.7	173.7	-170.4	66.2	16.3	0	0	112.1	Y187 A560 Y562 I567 F568	Y187-Q564 VanDerWaalsContact CE2-CD 3.47Å; Y187-Q564 VanDerWaalsContact CE2-OE1 3.22Å; A560-Q564 VanDerWaalsContact O-CB 3.25Å; A560-Q564 WeakPolarHBondContact O-CB 3.28Å; A560-Q564 PolarHBondContact O-N 2.95Å; Y562-Q564 PolarHBondContact O-N 3.31Å; Q564-I567 PolarHBondContact O-N 3.15Å; Q564-F568 WeakPolarHBondContact O-CB 3.42Å; Q564-F568 PolarHBondContact O-N 3.01Å
565	A	77.4	Confident	78.1	Confident	50 Å²	50	101.7 Å²	101.7	41%	0.413	50%	0.504	S	S	.	.	H	α-helix	trans	-66.7	-35.5	176.3	0	0	0	0	0	112.6	S561 Y562 T563 R569	S561-A565 WeakPolarHBondContact O-CB 3.3Å; S561-A565 PolarHBondContact O-N 3.3Å; Y562-A565 PolarHBondContact O-N 3.03Å; T563-A565 VanDerWaalsContact C-N 3.33Å; T563-A565 PolarHBondContact O-N 3.04Å; A565-R569 WeakPolarHBondContact O-CB 3.35Å; A565-R569 WeakPolarHBondContact O-CG 3.48Å; A565-R569 PolarHBondContact O-N 3.38Å
566	I	81.8	Confident	78.3	Confident	65.5 Å²	65.5	98.1 Å²	98.1	34%	0.336	49%	0.494	S	S	.	.	H	α-helix	trans	-65.5	-50.7	171.8	-71.5	168.2	0	0	0	110.6	Y562 T563 F568 R569 L570	Y562-I566 HydrophobicContact CD1-CD1 3.85Å; Y562-I566 HydrophobicContact CE1-CD1 3.39Å; Y562-I566 HydrophobicContact CE2-CD1 4.22Å; Y562-I566 HydrophobicContact CG-CD1 4.44Å; Y562-I566 WeakPolarHBondContact O-CG1 3.4Å; Y562-I566 PolarHBondContact O-N 3.02Å; T563-I566 PolarHBondContact O-N 3.03Å; I566-F568 VanDerWaalsContact C-N 3.29Å; I566-F568 PolarHBondContact O-N 3.11Å; I566-R569 CarbonylContact O-C 3.58Å; I566-R569 PolarHBondContact O-N 3.24Å; I566-R569 VanDerWaalsContact O-N 3.09Å; I566-L570 HydrophobicContact CG2-CD1 3.77Å; I566-L570 HydrophobicContact CG2-CG 4.14Å; I566-L570 WeakPolarHBondContact O-CB 3.43Å; I566-L570 WeakPolarHBondContact O-CG 3.32Å; I566-L570 PolarHBondContact O-N 2.95Å
567	I	81.1	Confident	78.3	Confident	98.5 Å²	98.5	99.2 Å²	99.2	51%	0.505	50%	0.499	S	S	.	.	H	α-helix	trans	-58.5	-43.3	-179.5	-68.2	163.3	0	0	0	110.6	T563 Q564 R569 L570 H571	T563-I567 VanDerWaalsContact O-CG1 3.3Å; T563-I567 WeakPolarHBondContact O-CG1 3.3Å; T563-I567 PolarHBondContact O-N 2.99Å; Q564-I567 PolarHBondContact O-N 3.15Å; I567-R569 PolarHBondContact O-N 3.25Å; I567-L570 PolarHBondContact O-N 3.36Å; I567-H571 PolarHBondContact O-N 3.04Å
568	F	80.8	Confident	78	Confident	134.5 Å²	134.5	96.7 Å²	96.7	59%	0.59	49%	0.489	S	S	*	.	H	α-helix	trans	-63.2	-42	174.6	-177.2	-96	0	0	0	112.7	Q564 I566 M572	Q564-F568 WeakPolarHBondContact O-CB 3.42Å; Q564-F568 PolarHBondContact O-N 3.01Å; I566-F568 VanDerWaalsContact C-N 3.29Å; I566-F568 PolarHBondContact O-N 3.11Å; F568-M572 WeakPolarHBondContact O-CB 3.43Å; F568-M572 PolarHBondContact O-N 3.35Å
569	R	80.8	Confident	77.8	Confident	175 Å²	175	99 Å²	99	66%	0.66	49%	0.492	S	S	*	.	H	α-helix	trans	-63.7	-42.7	174.6	-79.4	-177.6	178	-153.2	1.4	111.9	A565 I566 I567 M572 T573	A565-R569 WeakPolarHBondContact O-CB 3.35Å; A565-R569 WeakPolarHBondContact O-CG 3.48Å; A565-R569 PolarHBondContact O-N 3.38Å; I566-R569 CarbonylContact O-C 3.58Å; I566-R569 PolarHBondContact O-N 3.24Å; I566-R569 VanDerWaalsContact O-N 3.09Å; I567-R569 PolarHBondContact O-N 3.25Å; R569-M572 CarbonylContact O-C 3.53Å; R569-M572 WeakPolarHBondContact O-CB 3.33Å; R569-M572 PolarHBondContact O-N 3.38Å; R569-T573 PolarHBondContact O-N 3.28Å; R569-T573 PolarHBondContact O-OG1 3.21Å; R569-T573 VanDerWaalsContact O-OG1 3.1Å
570	L	80.7	Confident	77.5	Confident	102 Å²	102	99.3 Å²	99.3	53%	0.534	49%	0.493	S	S	.	.	H	α-helix	trans	-59.2	-52.8	177.7	-74.1	172.1	0	0	0	110.9	I566 I567 M572 T573 E574	I566-L570 HydrophobicContact CG2-CD1 3.77Å; I566-L570 HydrophobicContact CG2-CG 4.14Å; I566-L570 WeakPolarHBondContact O-CB 3.43Å; I566-L570 WeakPolarHBondContact O-CG 3.32Å; I566-L570 PolarHBondContact O-N 2.95Å; I567-L570 PolarHBondContact O-N 3.36Å; L570-M572 VanDerWaalsContact C-N 3.26Å; L570-M572 PolarHBondContact O-N 2.94Å; L570-T573 WeakPolarHBondContact CA-OG1 3.45Å; L570-T573 CarbonylContact O-C 3.51Å; L570-T573 WeakPolarHBondContact O-CA 3.4Å; L570-T573 PolarHBondContact O-N 3.34Å; L570-T573 VanDerWaalsContact O-N 3.08Å; L570-T573 PolarHBondContact O-OG1 3.42Å; L570-E574 VanDerWaalsContact O-CB 3.29Å; L570-E574 WeakPolarHBondContact O-CB 3.35Å; L570-E574 PolarHBondContact O-N 3.16Å
571	H	79.3	Confident	77.2	Confident	117.5 Å²	117.5	98.1 Å²	98.1	54%	0.544	48%	0.482	S	S	.	.	H	α-helix	trans	-60.4	-34.2	176	-173.6	-95.9	0	0	0	112.5	I567 S575	I567-H571 PolarHBondContact O-N 3.04Å; H571-S575 WeakPolarHBondContact O-CB 3.2Å; H571-S575 PolarHBondContact O-N 3.37Å; H571-S575 PolarHBondContact O-OG 2.98Å
572	M	77.3	Confident	77.2	Confident	92.5 Å²	92.5	98.8 Å²	98.8	46%	0.456	48%	0.478	S	S	.	.	H	α-helix	trans	-71.2	-32.5	173.5	-157.8	-161.4	-162.1	0	0	113	F568 R569 L570 S575 K576	F568-M572 WeakPolarHBondContact O-CB 3.43Å; F568-M572 PolarHBondContact O-N 3.35Å; R569-M572 CarbonylContact O-C 3.53Å; R569-M572 WeakPolarHBondContact O-CB 3.33Å; R569-M572 PolarHBondContact O-N 3.38Å; L570-M572 VanDerWaalsContact C-N 3.26Å; L570-M572 PolarHBondContact O-N 2.94Å; M572-S575 PolarHBondContact O-OG 3.2Å; M572-K576 WeakPolarHBondContact O-CB 3.33Å; M572-K576 VanDerWaalsContact O-CD 3.32Å; M572-K576 WeakPolarHBondContact O-CD 3.48Å; M572-K576 WeakPolarHBondContact O-CG 3.31Å; M572-K576 PolarHBondContact O-N 2.99Å
573	T	73.7	Confident	77.1	Confident	82 Å²	82	95.8 Å²	95.8	50%	0.503	48%	0.479	S	S	.	.	H	α-helix	trans	-76.6	-37.8	173.8	45.6	0	0	0	0	112.3	R569 L570 K576 L577	R569-T573 PolarHBondContact O-N 3.28Å; R569-T573 PolarHBondContact O-OG1 3.21Å; R569-T573 VanDerWaalsContact O-OG1 3.1Å; L570-T573 WeakPolarHBondContact CA-OG1 3.45Å; L570-T573 CarbonylContact O-C 3.51Å; L570-T573 WeakPolarHBondContact O-CA 3.4Å; L570-T573 PolarHBondContact O-N 3.34Å; L570-T573 VanDerWaalsContact O-N 3.08Å; L570-T573 PolarHBondContact O-OG1 3.42Å; T573-K576 PolarHBondContact O-N 3.04Å; T573-L577 VanDerWaalsContact O-CB 3.3Å; T573-L577 WeakPolarHBondContact O-CB 3.37Å; T573-L577 PolarHBondContact O-N 2.98Å
574	E	79.6	Confident	77.1	Confident	124 Å²	124	98 Å²	98	58%	0.579	49%	0.487	S	S	*	.	H	α-helix	trans	-62.7	-52.7	175.6	179.4	-179.4	-166	0	0	111.2	L570 K576 L577 H578	L570-E574 VanDerWaalsContact O-CB 3.29Å; L570-E574 WeakPolarHBondContact O-CB 3.35Å; L570-E574 PolarHBondContact O-N 3.16Å; E574-K576 VanDerWaalsContact C-N 3.27Å; E574-K576 PolarHBondContact O-N 3.14Å; E574-L577 PolarHBondContact O-N 3.37Å; E574-L577 VanDerWaalsContact O-N 3.12Å; E574-H578 VanDerWaalsContact O-CB 3.3Å; E574-H578 WeakPolarHBondContact O-CB 3.33Å; E574-H578 PolarHBondContact O-N 3.47Å
575	S	75.3	Confident	77.1	Confident	46 Å²	46	93.5 Å²	93.5	32%	0.322	47%	0.467	S	S	.	.	H	α-helix	trans	-61.5	-32.1	176.3	52.6	0	0	0	0	113.4	H571 M572 R579	H571-S575 WeakPolarHBondContact O-CB 3.2Å; H571-S575 PolarHBondContact O-N 3.37Å; H571-S575 PolarHBondContact O-OG 2.98Å; M572-S575 PolarHBondContact O-OG 3.2Å; S575-R579 WeakPolarHBondContact O-CB 3.43Å; S575-R579 WeakPolarHBondContact O-CD 3.24Å; S575-R579 VanDerWaalsContact O-CG 3.27Å; S575-R579 WeakPolarHBondContact O-CG 3.44Å; S575-R579 PolarHBondContact O-N 3.16Å
576	K	77.5	Confident	77.3	Confident	110 Å²	110	91.2 Å²	91.2	48%	0.478	45%	0.448	S	S	.	.	H	α-helix	trans	-69.1	-45.3	169.9	-76.5	172.8	-177.7	176.8	0	112.3	M572 T573 E574 R579 L580	M572-K576 WeakPolarHBondContact O-CB 3.33Å; M572-K576 VanDerWaalsContact O-CD 3.32Å; M572-K576 WeakPolarHBondContact O-CD 3.48Å; M572-K576 WeakPolarHBondContact O-CG 3.31Å; M572-K576 PolarHBondContact O-N 2.99Å; T573-K576 PolarHBondContact O-N 3.04Å; E574-K576 VanDerWaalsContact C-N 3.27Å; E574-K576 PolarHBondContact O-N 3.14Å; K576-R579 PolarHBondContact O-N 3.03Å; K576-L580 WeakPolarHBondContact O-CB 3.45Å; K576-L580 VanDerWaalsContact O-CG 3.3Å; K576-L580 WeakPolarHBondContact O-CG 3.39Å; K576-L580 PolarHBondContact O-N 3.03Å
577	L	75.1	Confident	77.1	Confident	121.5 Å²	121.5	90.4 Å²	90.4	64%	0.636	45%	0.451	S	S	*	.	H	α-helix	trans	-64.5	-43.4	-179.8	-178	62.7	0	0	0	111.5	T573 E574 L580 S581	T573-L577 VanDerWaalsContact O-CB 3.3Å; T573-L577 WeakPolarHBondContact O-CB 3.37Å; T573-L577 PolarHBondContact O-N 2.98Å; E574-L577 PolarHBondContact O-N 3.37Å; E574-L577 VanDerWaalsContact O-N 3.12Å; L577-L580 PolarHBondContact O-N 3.36Å; L577-S581 PolarHBondContact O-N 3.13Å
578	H	73.9	Confident	77	Confident	88 Å²	88	88.9 Å²	88.9	41%	0.407	45%	0.447	S	S	.	.	H	α-helix	trans	-61.7	-42.1	174.9	174.5	-125.7	0	0	0	112	E574 L580 S581 K582 D591	E574-H578 VanDerWaalsContact O-CB 3.3Å; E574-H578 WeakPolarHBondContact O-CB 3.33Å; E574-H578 PolarHBondContact O-N 3.47Å; H578-L580 PolarHBondContact O-N 2.96Å; H578-S581 PolarHBondContact O-N 3.38Å; H578-S581 PolarHBondContact O-OG 3.18Å; H578-K582 VanDerWaalsContact NE2-CE 3.31Å; H578-K582 WeakPolarHBondContact NE2-CE 3.31Å; H578-K582 PolarHBondContact NE2-NZ 3.01Å; H578-K582 PolarHBondContact O-N 3.16Å; H578-K582 VanDerWaalsContact O-N 3.12Å; H578-D591 IonicContact NE2-OD1 4Å
579	R	74.3	Confident	76.9	Confident	141.5 Å²	141.5	82.8 Å²	82.8	53%	0.534	42%	0.421	S	S	.	.	H	α-helix	trans	-61	-46.3	170.6	-77	171.1	169.3	-156.1	-2.5	112.1	S575 K576 S581 K582 C583 E908	S575-R579 WeakPolarHBondContact O-CB 3.43Å; S575-R579 WeakPolarHBondContact O-CD 3.24Å; S575-R579 VanDerWaalsContact O-CG 3.27Å; S575-R579 WeakPolarHBondContact O-CG 3.44Å; S575-R579 PolarHBondContact O-N 3.16Å; K576-R579 PolarHBondContact O-N 3.03Å; R579-S581 VanDerWaalsContact C-N 3.3Å; R579-S581 PolarHBondContact O-N 3.29Å; R579-K582 PolarHBondContact O-N 3.1Å; R579-C583 PolarHBondContact O-N 3.22Å; R579-C583 VanDerWaalsContact O-N 3.12Å; R579-C583 PolarHBondContact O-SG 3.28Å; R579-C583 VanDerWaalsContact O-SG 3.33Å; R579-E908 IonicContact CZ-OE1 3.75Å; R579-E908 IonicContact CZ-OE2 2.82Å; R579-E908 IonicContact NH1-OE1 2.66Å; R579-E908 PolarHBondContact NH1-OE1 3.46Å; R579-E908 IonicContact NH1-OE2 3.59Å; R579-E908 PolarHBondContact NH1-OE2 3.08Å; R579-E908 IonicContact NH2-OE1 2.69Å; R579-E908 PolarHBondContact NH2-OE1 2.92Å; R579-E908 IonicContact NH2-OE2 2.81Å; R579-E908 PolarHBondContact NH2-OE2 3.42Å
580	L	75.2	Confident	76.8	Confident	108.5 Å²	108.5	74.5 Å²	74.5	57%	0.568	39%	0.39	S	S	*	.	H	α-helix	trans	-63.7	-36.9	178.4	-72	169.6	0	0	0	112.6	K576 L577 H578 K582 C583 L584	K576-L580 WeakPolarHBondContact O-CB 3.45Å; K576-L580 VanDerWaalsContact O-CG 3.3Å; K576-L580 WeakPolarHBondContact O-CG 3.39Å; K576-L580 PolarHBondContact O-N 3.03Å; L577-L580 PolarHBondContact O-N 3.36Å; H578-L580 PolarHBondContact O-N 2.96Å; L580-K582 VanDerWaalsContact C-N 3.34Å; L580-K582 PolarHBondContact O-N 3.31Å; L580-C583 WeakPolarHBondContact O-CB 3.46Å; L580-C583 PolarHBondContact O-N 3.27Å; L580-C583 VanDerWaalsContact O-N 3.14Å; L580-L584 WeakPolarHBondContact O-CG 3.36Å; L580-L584 PolarHBondContact O-N 3.25Å
581	S	73.3	Confident	76.6	Confident	29 Å²	29	72.8 Å²	72.8	20%	0.203	38%	0.382	C	S	.	.	H	α-helix	trans	-63.6	-42.7	176.3	70.9	0	0	0	0	111.8	L577 H578 R579 C583 L584 V585	L577-S581 PolarHBondContact O-N 3.13Å; H578-S581 PolarHBondContact O-N 3.38Å; H578-S581 PolarHBondContact O-OG 3.18Å; R579-S581 VanDerWaalsContact C-N 3.3Å; R579-S581 PolarHBondContact O-N 3.29Å; S581-C583 PolarHBondContact O-N 3.3Å; S581-L584 PolarHBondContact O-N 3.17Å; S581-V585 PolarHBondContact O-N 3.19Å
582	K	73.6	Confident	76.4	Confident	70 Å²	70	71.5 Å²	71.5	30%	0.304	38%	0.379	S	S	.	.	H	α-helix	trans	-71.7	-12.4	176.9	-68.9	-176	169.6	170.9	0	113.8	H578 R579 L580 A587 A590 D591	H578-K582 VanDerWaalsContact NE2-CE 3.31Å; H578-K582 WeakPolarHBondContact NE2-CE 3.31Å; H578-K582 PolarHBondContact NE2-NZ 3.01Å; H578-K582 PolarHBondContact O-N 3.16Å; H578-K582 VanDerWaalsContact O-N 3.12Å; R579-K582 PolarHBondContact O-N 3.1Å; L580-K582 VanDerWaalsContact C-N 3.34Å; L580-K582 PolarHBondContact O-N 3.31Å; K582-A587 HydrophobicContact CD-CB 4.36Å; K582-A590 HydrophobicContact CG-CB 4.04Å; K582-D591 VanDerWaalsContact CE-OD1 3.26Å; K582-D591 WeakPolarHBondContact CE-OD1 3.42Å; K582-D591 WeakPolarHBondContact CE-OD2 3.48Å; K582-D591 IonicContact NZ-OD1 2.98Å; K582-D591 PolarHBondContact NZ-OD1 3.12Å; K582-D591 IonicContact NZ-OD2 3.64Å; K582-D591 PolarHBondContact NZ-OD2 3.08Å
583	C	75.2	Confident	76.2	Confident	93.5 Å²	93.5	67.8 Å²	67.8	63%	0.632	36%	0.361	S	S	*	.	H	α-helix	trans	-86.4	-16.3	167	-65.9	0	0	0	0	114.2	R579 L580 S581	R579-C583 PolarHBondContact O-N 3.22Å; R579-C583 VanDerWaalsContact O-N 3.12Å; R579-C583 PolarHBondContact O-SG 3.28Å; R579-C583 VanDerWaalsContact O-SG 3.33Å; L580-C583 WeakPolarHBondContact O-CB 3.46Å; L580-C583 PolarHBondContact O-N 3.27Å; L580-C583 VanDerWaalsContact O-N 3.14Å; S581-C583 PolarHBondContact O-N 3.3Å
584	L	76.1	Confident	76.1	Confident	108 Å²	108	66.9 Å²	66.9	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-103	-29.2	-177.2	-70.8	169.5	0	0	0	113.4	L580 S581	L580-L584 WeakPolarHBondContact O-CG 3.36Å; L580-L584 PolarHBondContact O-N 3.25Å; S581-L584 PolarHBondContact O-N 3.17Å
585	V	77.4	Confident	75.9	Confident	7 Å²	7	65 Å²	65	4%	0.042	35%	0.349	C	S	.	.	S	Bend	trans	-141.2	143.1	-171.5	178.4	0	0	0	0	108.7	S581 L589 A590 L593	S581-V585 PolarHBondContact O-N 3.19Å; V585-L589 HydrophobicContact CG1-CB 3.64Å; V585-L589 VanDerWaalsContact CG1-CB 3.45Å; V585-L589 HydrophobicContact CG1-CD1 4.41Å; V585-L589 HydrophobicContact CG1-CD2 3.86Å; V585-L589 HydrophobicContact CG1-CG 3.63Å; V585-A590 HydrophobicContact CB-CB 4.24Å; V585-A590 HydrophobicContact CG1-CB 4.32Å; V585-L593 HydrophobicContact CB-CD1 4.31Å; V585-L593 HydrophobicContact CG1-CD1 4.05Å; V585-L593 HydrophobicContact CG2-CD1 4.12Å
586	P	82.3	Confident	75.7	Confident	1 Å²	1	66 Å²	66	1%	0.006	35%	0.351	C	S	.	.			trans	-52.9	140.2	175.3	-23.1	28.8	0	0	0	112.3	L589 A590 Y672 Y687 P688 F743	P586-L589 HydrophobicContact CG-CD1 4.35Å; P586-L589 CarbonylContact O-C 3.49Å; P586-L589 WeakPolarHBondContact O-CA 3.16Å; P586-L589 WeakPolarHBondContact O-CB 3.27Å; P586-L589 PolarHBondContact O-N 3.26Å; P586-A590 PolarHBondContact O-N 3.06Å; P586-Y672 HydrophobicContact CB-CE2 4.26Å; P586-Y672 WeakPolarHBondContact CD-OH 3.32Å; P586-Y672 HydrophobicContact CG-CD1 4.47Å; P586-Y672 HydrophobicContact CG-CE1 3.78Å; P586-Y672 HydrophobicContact CG-CE2 4.24Å; P586-Y687 HydrophobicContact CB-CE1 4.45Å; P586-Y687 HydrophobicContact CG-CE1 4.02Å; P586-P688 HydrophobicContact CB-CB 4.48Å; P586-F743 HydrophobicContact CG-CD1 4.22Å; P586-F743 HydrophobicContact CG-CD2 4.1Å; P586-F743 HydrophobicContact CG-CE1 4.23Å; P586-F743 HydrophobicContact CG-CE2 4.1Å; P586-F743 HydrophobicContact CG-CG 4.17Å; P586-F743 HydrophobicContact CG-CZ 4.18Å
587	A	77.5	Confident	75.3	Confident	48 Å²	48	66.6 Å²	66.6	40%	0.397	35%	0.353	S	S	.	.	H	α-helix	trans	-46.1	-51.5	-173.2	0	0	0	0	0	116.2	K582 L589 A590 D591	K582-A587 HydrophobicContact CD-CB 4.36Å; A587-L589 VanDerWaalsContact C-N 3.33Å; A587-L589 PolarHBondContact O-N 3.08Å; A587-A590 WeakPolarHBondContact O-CB 3.43Å; A587-A590 PolarHBondContact O-N 3.2Å; A587-A590 VanDerWaalsContact O-N 3.14Å; A587-D591 PolarHBondContact O-N 2.97Å; A587-D591 VanDerWaalsContact O-N 3.14Å
588	P	77.2	Confident	75	Confident	67 Å²	67	66.8 Å²	66.8	44%	0.435	35%	0.354	S	S	.	.	H	α-helix	trans	-62.1	-40.7	179.4	23.4	-33.7	0	0	0	112.3	A590 D591 D592 P688	P588-A590 VanDerWaalsContact C-N 3.33Å; P588-A590 PolarHBondContact O-N 3.03Å; P588-D591 PolarHBondContact O-N 2.96Å; P588-D592 PolarHBondContact O-N 3.41Å; P588-D592 VanDerWaalsContact O-N 3.09Å; P588-P688 HydrophobicContact CG-CB 3.92Å
589	L	79.5	Confident	74.7	Confident	6 Å²	6	67.4 Å²	67.4	3%	0.031	36%	0.36	C	S	.	.	H	α-helix	trans	-70	-29.7	176.5	-122.2	123.2	0	0	0	112.4	V585 P586 A587 D591 D592 L593 L608 I610 Y687 V735 F743	V585-L589 HydrophobicContact CG1-CB 3.64Å; V585-L589 VanDerWaalsContact CG1-CB 3.45Å; V585-L589 HydrophobicContact CG1-CD1 4.41Å; V585-L589 HydrophobicContact CG1-CD2 3.86Å; V585-L589 HydrophobicContact CG1-CG 3.63Å; P586-L589 HydrophobicContact CG-CD1 4.35Å; P586-L589 CarbonylContact O-C 3.49Å; P586-L589 WeakPolarHBondContact O-CA 3.16Å; P586-L589 WeakPolarHBondContact O-CB 3.27Å; P586-L589 PolarHBondContact O-N 3.26Å; A587-L589 VanDerWaalsContact C-N 3.33Å; A587-L589 PolarHBondContact O-N 3.08Å; L589-D591 VanDerWaalsContact C-N 3.34Å; L589-D592 HydrophobicContact CD1-CB 4.49Å; L589-L593 WeakPolarHBondContact O-CB 3.34Å; L589-L593 VanDerWaalsContact O-CG 3.24Å; L589-L593 WeakPolarHBondContact O-CG 3.44Å; L589-L593 PolarHBondContact O-N 3.12Å; L589-L608 HydrophobicContact CD1-CD1 3.66Å; L589-L608 HydrophobicContact CD1-CD2 3.7Å; L589-L608 HydrophobicContact CD1-CG 4.33Å; L589-L608 HydrophobicContact CD2-CD1 4Å; L589-L608 HydrophobicContact CD2-CD2 3.79Å; L589-L608 HydrophobicContact CG-CD2 4.37Å; L589-I610 HydrophobicContact CD1-CD1 4.47Å; L589-I610 HydrophobicContact CD2-CD1 3.75Å; L589-Y687 VanDerWaalsContact CD1-OH 3.24Å; L589-Y687 WeakPolarHBondContact CD1-OH 3.11Å; L589-Y687 WeakPolarHBondContact CG-OH 3.49Å; L589-V735 HydrophobicContact CD2-CG2 3.87Å; L589-F743 HydrophobicContact CD1-CD2 3.88Å; L589-F743 HydrophobicContact CD1-CE2 3.76Å; L589-F743 HydrophobicContact CD2-CD2 3.93Å; L589-F743 HydrophobicContact CD2-CE2 4.1Å
590	A	78.6	Confident	74	Confident	2.5 Å²	2.5	63.1 Å²	63.1	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-66.4	-38.3	174.7	0	0	0	0	0	111.4	K582 V585 P586 A587 P588 L593 V594	K582-A590 HydrophobicContact CG-CB 4.04Å; V585-A590 HydrophobicContact CB-CB 4.24Å; V585-A590 HydrophobicContact CG1-CB 4.32Å; P586-A590 PolarHBondContact O-N 3.06Å; A587-A590 WeakPolarHBondContact O-CB 3.43Å; A587-A590 PolarHBondContact O-N 3.2Å; A587-A590 VanDerWaalsContact O-N 3.14Å; P588-A590 VanDerWaalsContact C-N 3.33Å; P588-A590 PolarHBondContact O-N 3.03Å; A590-L593 PolarHBondContact O-N 3.43Å; A590-V594 WeakPolarHBondContact O-CG2 3.3Å; A590-V594 PolarHBondContact O-N 2.93Å; A590-V594 VanDerWaalsContact O-N 3.15Å
591	D	75.9	Confident	73.1	Confident	65 Å²	65	64.2 Å²	64.2	35%	0.348	36%	0.361	S	S	.	.	H	α-helix	trans	-73.3	-38.9	178.1	-61.2	-29.2	0	0	0	111.1	H578 K582 A587 P588 L589 L593 V594 N595	H578-D591 IonicContact NE2-OD1 4Å; K582-D591 VanDerWaalsContact CE-OD1 3.26Å; K582-D591 WeakPolarHBondContact CE-OD1 3.42Å; K582-D591 WeakPolarHBondContact CE-OD2 3.48Å; K582-D591 IonicContact NZ-OD1 2.98Å; K582-D591 PolarHBondContact NZ-OD1 3.12Å; K582-D591 IonicContact NZ-OD2 3.64Å; K582-D591 PolarHBondContact NZ-OD2 3.08Å; A587-D591 PolarHBondContact O-N 2.97Å; A587-D591 VanDerWaalsContact O-N 3.14Å; P588-D591 PolarHBondContact O-N 2.96Å; L589-D591 VanDerWaalsContact C-N 3.34Å; D591-L593 PolarHBondContact O-N 3.07Å; D591-V594 PolarHBondContact O-N 3.14Å; D591-N595 PolarHBondContact O-N 2.98Å; D591-N595 PolarHBondContact O-ND2 3.14Å; D591-N595 VanDerWaalsContact O-ND2 3.13Å
592	D	76.1	Confident	72.2	Confident	90 Å²	90	68.5 Å²	68.5	48%	0.481	38%	0.381	S	S	.	.	H	α-helix	trans	-57.7	-47.1	169.1	-73.9	-27.5	0	0	0	112.3	P588 L589 V594 N595 D596	P588-D592 PolarHBondContact O-N 3.41Å; P588-D592 VanDerWaalsContact O-N 3.09Å; L589-D592 HydrophobicContact CD1-CB 4.49Å; D592-V594 VanDerWaalsContact C-N 3.31Å; D592-V594 PolarHBondContact O-N 3.22Å; D592-N595 WeakPolarHBondContact O-CB 3.4Å; D592-N595 PolarHBondContact O-N 3.22Å; D592-N595 VanDerWaalsContact O-N 3.15Å; D592-D596 PolarHBondContact O-N 2.96Å
593	L	72.6	Confident	71.1	Confident	15.5 Å²	15.5	68.8 Å²	68.8	8%	0.081	39%	0.392	C	S	.	.	H	α-helix	trans	-61.7	-37.8	177.6	-74.2	-179.2	0	0	0	112.4	V585 L589 A590 D591 N595 D596 F597 W604	V585-L593 HydrophobicContact CB-CD1 4.31Å; V585-L593 HydrophobicContact CG1-CD1 4.05Å; V585-L593 HydrophobicContact CG2-CD1 4.12Å; L589-L593 WeakPolarHBondContact O-CB 3.34Å; L589-L593 VanDerWaalsContact O-CG 3.24Å; L589-L593 WeakPolarHBondContact O-CG 3.44Å; L589-L593 PolarHBondContact O-N 3.12Å; A590-L593 PolarHBondContact O-N 3.43Å; D591-L593 PolarHBondContact O-N 3.07Å; L593-N595 VanDerWaalsContact C-N 3.34Å; L593-D596 PolarHBondContact O-N 3.19Å; L593-F597 HydrophobicContact CB-CE2 4.5Å; L593-F597 WeakPolarHBondContact O-CD2 3.4Å; L593-F597 PolarHBondContact O-N 3.31Å; L593-W604 HydrophobicContact CD1-CH2 4.07Å; L593-W604 HydrophobicContact CD2-CH2 3.46Å; L593-W604 HydrophobicContact CD2-CZ2 4.24Å; L593-W604 HydrophobicContact CD2-CZ3 3.62Å; L593-W604 VanDerWaalsContact CD2-CZ3 3.42Å; L593-W604 HydrophobicContact CG-CH2 4.32Å
594	V	72.9	Confident	70.3	Confident	62 Å²	62	67.3 Å²	67.3	38%	0.376	37%	0.373	S	S	.	.	H	α-helix	trans	-62.9	-41.6	175.3	166.3	0	0	0	0	110.8	A590 D591 D592 F597 I598	A590-V594 WeakPolarHBondContact O-CG2 3.3Å; A590-V594 PolarHBondContact O-N 2.93Å; A590-V594 VanDerWaalsContact O-N 3.15Å; D591-V594 PolarHBondContact O-N 3.14Å; D592-V594 VanDerWaalsContact C-N 3.31Å; D592-V594 PolarHBondContact O-N 3.22Å; V594-F597 PolarHBondContact O-N 3.26Å; V594-I598 HydrophobicContact CG1-CD1 3.77Å; V594-I598 HydrophobicContact CG1-CG1 4.5Å; V594-I598 WeakPolarHBondContact O-CD1 3.24Å; V594-I598 VanDerWaalsContact O-CG1 3.29Å; V594-I598 WeakPolarHBondContact O-CG1 3.38Å; V594-I598 PolarHBondContact O-N 3.13Å
595	N	73.9	Confident	69	Low	84.5 Å²	84.5	66.3 Å²	66.3	45%	0.452	38%	0.376	S	S	.	.	H	α-helix	trans	-62.5	-45.3	175.2	-66.2	-40.7	0	0	0	111.8	D591 D592 L593 F597 I598 N599	D591-N595 PolarHBondContact O-N 2.98Å; D591-N595 PolarHBondContact O-ND2 3.14Å; D591-N595 VanDerWaalsContact O-ND2 3.13Å; D592-N595 WeakPolarHBondContact O-CB 3.4Å; D592-N595 PolarHBondContact O-N 3.22Å; D592-N595 VanDerWaalsContact O-N 3.15Å; L593-N595 VanDerWaalsContact C-N 3.34Å; N595-F597 VanDerWaalsContact C-N 3.33Å; N595-F597 PolarHBondContact O-N 3.01Å; N595-I598 PolarHBondContact O-N 3.37Å; N595-I598 VanDerWaalsContact O-N 3.17Å; N595-N599 WeakPolarHBondContact O-CB 3.39Å; N595-N599 VanDerWaalsContact O-CG 3.24Å; N595-N599 PolarHBondContact O-N 3.11Å; N595-N599 PolarHBondContact O-ND2 2.97Å; N595-N599 VanDerWaalsContact O-ND2 3.12Å
596	D	71.8	Confident	67.7	Low	68 Å²	68	69.8 Å²	69.8	36%	0.364	40%	0.401	S	S	.	.	H	α-helix	trans	-61.5	-37.5	176.2	-92.7	-9	0	0	0	113	D592 L593 H601	D592-D596 PolarHBondContact O-N 2.96Å; L593-D596 PolarHBondContact O-N 3.19Å; D596-H601 PolarHBondContact O-N 2.96Å
597	F	68.3	Low	66.7	Low	121.5 Å²	121.5	74.3 Å²	74.3	53%	0.533	43%	0.43	S	S	.	.	H	α-helix	trans	-66.2	-41.3	172.9	-78.6	-59.8	0	0	0	112.6	L593 V594 N595 N599 G600 W604 L741	L593-F597 HydrophobicContact CB-CE2 4.5Å; L593-F597 WeakPolarHBondContact O-CD2 3.4Å; L593-F597 PolarHBondContact O-N 3.31Å; V594-F597 PolarHBondContact O-N 3.26Å; N595-F597 VanDerWaalsContact C-N 3.33Å; N595-F597 PolarHBondContact O-N 3.01Å; F597-N599 VanDerWaalsContact C-N 3.34Å; F597-G600 PolarHBondContact O-N 2.92Å; F597-W604 HydrophobicContact CE1-CZ2 4.48Å; F597-W604 HydrophobicContact CE2-CZ2 4.39Å; F597-W604 AromaticContact CZ-CZ2 3.9Å; F597-W604 HydrophobicContact CZ-CZ2 3.9Å; F597-L741 HydrophobicContact CZ-CD1 4.17Å
598	I	69.5	Low	66.4	Low	126 Å²	126	74.3 Å²	74.3	65%	0.646	42%	0.423	S	S	*	.	H	α-helix	trans	-65.6	-38.9	178.3	-70.5	165.2	0	0	0	111.2	V594 N595 G600	V594-I598 HydrophobicContact CG1-CD1 3.77Å; V594-I598 HydrophobicContact CG1-CG1 4.5Å; V594-I598 WeakPolarHBondContact O-CD1 3.24Å; V594-I598 VanDerWaalsContact O-CG1 3.29Å; V594-I598 WeakPolarHBondContact O-CG1 3.38Å; V594-I598 PolarHBondContact O-N 3.13Å; N595-I598 PolarHBondContact O-N 3.37Å; N595-I598 VanDerWaalsContact O-N 3.17Å; I598-G600 PolarHBondContact O-N 3.28Å
599	N	68.1	Low	66.5	Low	101.5 Å²	101.5	75 Å²	75	54%	0.543	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	1	179.8	-69.1	-30.5	0	0	0	114.2	N595 F597 H601	N595-N599 WeakPolarHBondContact O-CB 3.39Å; N595-N599 VanDerWaalsContact O-CG 3.24Å; N595-N599 PolarHBondContact O-N 3.11Å; N595-N599 PolarHBondContact O-ND2 2.97Å; N595-N599 VanDerWaalsContact O-ND2 3.12Å; F597-N599 VanDerWaalsContact C-N 3.34Å; N599-H601 PolarHBondContact O-N 3.11Å; N599-H601 VanDerWaalsContact O-N 3.11Å
600	G	58.7	Low	66.9	Low	50.5 Å²	50.5	77.1 Å²	77.1	52%	0.521	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	8.6	175.3	0	0	0	0	0	114.4	F597 I598 L602	F597-G600 PolarHBondContact O-N 2.92Å; I598-G600 PolarHBondContact O-N 3.28Å; G600-L602 VanDerWaalsContact C-N 3.25Å; G600-L602 PolarHBondContact O-N 3.39Å
601	H	57.7	Low	67.5	Low	131.667 Å²	131.667	81.8 Å²	81.8	61%	0.61	45%	0.454	S	S	*	.			trans	-83.6	77.5	172.8	-71.1	-69.7	0	0	0	110.8	D596 N599 S603	D596-H601 PolarHBondContact O-N 2.96Å; N599-H601 PolarHBondContact O-N 3.11Å; N599-H601 VanDerWaalsContact O-N 3.11Å; H601-S603 CarbonylContact O-C 3.57Å; H601-S603 VanDerWaalsContact O-C 3.29Å; H601-S603 PolarHBondContact O-N 3.11Å
602	L	53.3	Low	68.2	Low	118.667 Å²	118.667	79.3 Å²	79.3	62%	0.621	44%	0.441	S	S	*	.			trans	-58.7	17.4	170.7	-80.7	113.4	0	0	0	111.9	G600 W604 S605	G600-L602 VanDerWaalsContact C-N 3.25Å; G600-L602 PolarHBondContact O-N 3.39Å; L602-W604 PolarHBondContact O-N 2.9Å; L602-S605 PolarHBondContact O-N 2.99Å
603	S	51.6	Low	68.9	Low	76 Å²	76	83.9 Å²	83.9	53%	0.531	45%	0.451	S	S	.	.	S	Bend	trans	-85	68.1	164.8	61.8	0	0	0	0	111.1	H601 S605	H601-S603 CarbonylContact O-C 3.57Å; H601-S603 VanDerWaalsContact O-C 3.29Å; H601-S603 PolarHBondContact O-N 3.11Å; S603-S605 VanDerWaalsContact C-N 3.28Å; S603-S605 PolarHBondContact O-N 3.33Å; S603-S605 PolarHBondContact O-OG 2.98Å; S603-S605 PolarHBondContact OG-OG 2.88Å
604	W	57.8	Low	69.8	Low	62 Å²	62	87 Å²	87	24%	0.235	47%	0.468	C	S	.	.			trans	-47.1	80.7	162.6	-58.6	70.5	0	0	0	111.6	L593 F597 L602 S606 L608 V735 L741	L593-W604 HydrophobicContact CD1-CH2 4.07Å; L593-W604 HydrophobicContact CD2-CH2 3.46Å; L593-W604 HydrophobicContact CD2-CZ2 4.24Å; L593-W604 HydrophobicContact CD2-CZ3 3.62Å; L593-W604 VanDerWaalsContact CD2-CZ3 3.42Å; L593-W604 HydrophobicContact CG-CH2 4.32Å; F597-W604 HydrophobicContact CE1-CZ2 4.48Å; F597-W604 HydrophobicContact CE2-CZ2 4.39Å; F597-W604 AromaticContact CZ-CZ2 3.9Å; F597-W604 HydrophobicContact CZ-CZ2 3.9Å; L602-W604 PolarHBondContact O-N 2.9Å; W604-S606 CarbonylContact C-O 3.5Å; W604-S606 VanDerWaalsContact C-O 3.25Å; W604-S606 WeakPolarHBondContact CA-O 3.45Å; W604-S606 CarbonylContact O-C 3.58Å; W604-S606 PolarHBondContact O-N 3.4Å; W604-L608 HydrophobicContact CD2-CB 4.37Å; W604-L608 HydrophobicContact CE3-CB 3.46Å; W604-L608 VanDerWaalsContact CE3-CB 3.46Å; W604-L608 HydrophobicContact CE3-CD2 4.23Å; W604-L608 HydrophobicContact CE3-CG 4.46Å; W604-L608 HydrophobicContact CH2-CB 4.23Å; W604-L608 HydrophobicContact CH2-CD2 3.39Å; W604-L608 HydrophobicContact CH2-CG 4.43Å; W604-L608 HydrophobicContact CZ2-CD2 4.2Å; W604-L608 HydrophobicContact CZ3-CB 3.34Å; W604-L608 HydrophobicContact CZ3-CD2 3.38Å; W604-L608 HydrophobicContact CZ3-CG 3.99Å; W604-V735 HydrophobicContact CE3-CB 4.06Å; W604-V735 HydrophobicContact CE3-CG1 4.48Å; W604-V735 HydrophobicContact CE3-CG2 4.49Å; W604-V735 HydrophobicContact CH2-CB 4.42Å; W604-V735 HydrophobicContact CH2-CG1 4.34Å; W604-V735 HydrophobicContact CH2-CG2 3.99Å; W604-V735 HydrophobicContact CZ3-CB 3.49Å; W604-V735 VanDerWaalsContact CZ3-CB 3.49Å; W604-V735 HydrophobicContact CZ3-CG1 4.33Å; W604-V735 HydrophobicContact CZ3-CG2 3.46Å; W604-V735 VanDerWaalsContact CZ3-CG2 3.46Å; W604-L741 HydrophobicContact CH2-CD1 4.04Å; W604-L741 HydrophobicContact CH2-CD2 3.86Å; W604-L741 HydrophobicContact CH2-CG 4.46Å; W604-L741 HydrophobicContact CZ2-CD1 3.95Å; W604-L741 HydrophobicContact CZ2-CD2 3.8Å; W604-L741 HydrophobicContact CZ2-CG 4.43Å
605	S	47.6	Very low	70.8	Confident	88.6667 Å²	88.6667	84.3 Å²	84.3	62%	0.62	45%	0.452	S	S	*	.	S	Bend	trans	-71.6	-26.3	178.4	26.2	0	0	0	0	112.2	L602 S603	L602-S605 PolarHBondContact O-N 2.99Å; S603-S605 VanDerWaalsContact C-N 3.28Å; S603-S605 PolarHBondContact O-N 3.33Å; S603-S605 PolarHBondContact O-OG 2.98Å; S603-S605 PolarHBondContact OG-OG 2.88Å
606	S	50.9	Low	71.9	Confident	80 Å²	80	80.2 Å²	80.2	56%	0.559	43%	0.43	S	S	*	.	S	Bend	trans	-123.3	145.1	158.9	53.2	0	0	0	0	109.6	W604 L608	W604-S606 CarbonylContact C-O 3.5Å; W604-S606 VanDerWaalsContact C-O 3.25Å; W604-S606 WeakPolarHBondContact CA-O 3.45Å; W604-S606 CarbonylContact O-C 3.58Å; W604-S606 PolarHBondContact O-N 3.4Å; S606-L608 PolarHBondContact O-N 3.39Å
607	P	61.1	Low	73	Confident	95 Å²	95	77 Å²	77	62%	0.617	41%	0.413	S	S	*	.			trans	-62	129.2	164.7	28.2	-32.9	0	0	0	108.6	V609	P607-V609 HydrophobicContact CB-CG2 4.41Å; P607-V609 HydrophobicContact CG-CG2 4.18Å; P607-V609 PolarHBondContact O-N 3Å
608	L	70.6	Confident	74.3	Confident	49 Å²	49	71.2 Å²	71.2	26%	0.257	39%	0.387	S	S	.	.			trans	-69.8	114.6	175.4	-177.2	107.8	0	0	0	108.8	L589 W604 S606 I610 I734 V735	L589-L608 HydrophobicContact CD1-CD1 3.66Å; L589-L608 HydrophobicContact CD1-CD2 3.7Å; L589-L608 HydrophobicContact CD1-CG 4.33Å; L589-L608 HydrophobicContact CD2-CD1 4Å; L589-L608 HydrophobicContact CD2-CD2 3.79Å; L589-L608 HydrophobicContact CG-CD2 4.37Å; W604-L608 HydrophobicContact CD2-CB 4.37Å; W604-L608 HydrophobicContact CE3-CB 3.46Å; W604-L608 VanDerWaalsContact CE3-CB 3.46Å; W604-L608 HydrophobicContact CE3-CD2 4.23Å; W604-L608 HydrophobicContact CE3-CG 4.46Å; W604-L608 HydrophobicContact CH2-CB 4.23Å; W604-L608 HydrophobicContact CH2-CD2 3.39Å; W604-L608 HydrophobicContact CH2-CG 4.43Å; W604-L608 HydrophobicContact CZ2-CD2 4.2Å; W604-L608 HydrophobicContact CZ3-CB 3.34Å; W604-L608 HydrophobicContact CZ3-CD2 3.38Å; W604-L608 HydrophobicContact CZ3-CG 3.99Å; S606-L608 PolarHBondContact O-N 3.39Å; L608-I610 HydrophobicContact CD1-CD1 4.47Å; L608-I610 HydrophobicContact CD2-CD1 3.96Å; L608-I610 HydrophobicContact CD2-CG1 4.16Å; L608-I610 HydrophobicContact CG-CD1 4.37Å; L608-I610 HydrophobicContact CG-CG1 4.28Å; L608-I734 VanDerWaalsContact O-CA 3.31Å; L608-I734 WeakPolarHBondContact O-CA 3.32Å; L608-V735 HydrophobicContact CD2-CB 4.48Å; L608-V735 HydrophobicContact CD2-CG2 3.84Å; L608-V735 PolarHBondContact O-N 3.07Å
609	V	81	Confident	75.5	Confident	80 Å²	80	65.2 Å²	65.2	49%	0.485	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	106.1	179.9	-178.9	0	0	0	0	108.4	P607 Y732 A733 I734	P607-V609 HydrophobicContact CB-CG2 4.41Å; P607-V609 HydrophobicContact CG-CG2 4.18Å; P607-V609 PolarHBondContact O-N 3Å; V609-Y732 HydrophobicContact CG1-CD1 3.78Å; V609-Y732 HydrophobicContact CG1-CG 4.32Å; V609-A733 WeakPolarHBondContact CA-O 3.28Å; V609-I734 HydrophobicContact CB-CG2 4.27Å; V609-I734 HydrophobicContact CG1-CG2 4.04Å; V609-I734 HydrophobicContact CG2-CG2 3.91Å
610	I	86.2	Confident	76.6	Confident	52 Å²	52	60.5 Å²	60.5	27%	0.267	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.6	178.9	-59.8	174.3	0	0	0	108.2	L589 L608 L612 Y687 Y732 A733	L589-I610 HydrophobicContact CD1-CD1 4.47Å; L589-I610 HydrophobicContact CD2-CD1 3.75Å; L608-I610 HydrophobicContact CD1-CD1 4.47Å; L608-I610 HydrophobicContact CD2-CD1 3.96Å; L608-I610 HydrophobicContact CD2-CG1 4.16Å; L608-I610 HydrophobicContact CG-CD1 4.37Å; L608-I610 HydrophobicContact CG-CG1 4.28Å; I610-L612 HydrophobicContact CG2-CD2 3.76Å; I610-L612 PolarHBondContact O-N 3.14Å; I610-Y687 WeakPolarHBondContact CD1-OH 3.33Å; I610-Y687 HydrophobicContact CG2-CE2 4.5Å; I610-Y732 CarbonylContact O-C 3.26Å; I610-Y732 WeakPolarHBondContact O-CA 3.39Å; I610-A733 HydrophobicContact CB-CB 4.28Å; I610-A733 PolarHBondContact N-O 2.91Å; I610-A733 PolarHBondContact O-N 3.33Å
611	Y	91.1	Very high	78.2	Confident	99.3333 Å²	99.3333	59.2 Å²	59.2	39%	0.39	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	109.9	176.6	-178.5	-126.1	0	0	0	111.2	R613 Y732	Y611-R613 HydrophobicContact CD1-CG 3.96Å; Y611-R613 HydrophobicContact CE1-CG 3.51Å; Y611-Y732 AromaticContact CD2-CD1 3.73Å; Y611-Y732 HydrophobicContact CD2-CD1 3.73Å; Y611-Y732 HydrophobicContact CD2-CD2 4.45Å; Y611-Y732 AromaticContact CD2-CE1 3.36Å; Y611-Y732 HydrophobicContact CD2-CE1 3.36Å; Y611-Y732 HydrophobicContact CD2-CE2 4.22Å; Y611-Y732 HydrophobicContact CD2-CG 4.31Å; Y611-Y732 AromaticContact CD2-CZ 3.63Å; Y611-Y732 HydrophobicContact CE2-CE1 4.09Å; Y611-Y732 HydrophobicContact CE2-CE2 4.29Å; Y611-Y732 AromaticContact CE2-CZ 3.88Å; Y611-Y732 HydrophobicContact CG-CD1 4.31Å; Y611-Y732 AromaticContact CG-CE1 3.89Å; Y611-Y732 HydrophobicContact CG-CE1 3.89Å
612	L	91.8	Very high	79.6	Confident	13.6667 Å²	13.6667	53.8 Å²	53.8	7%	0.072	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.3	178.6	-56	-176.8	0	0	0	110.4	I610 V615 I684 Y687 T730 A731 A733 L745	I610-L612 HydrophobicContact CG2-CD2 3.76Å; I610-L612 PolarHBondContact O-N 3.14Å; L612-V615 HydrophobicContact CB-CG1 4.03Å; L612-V615 HydrophobicContact CB-CG2 3.78Å; L612-V615 HydrophobicContact CD1-CG1 4.47Å; L612-I684 HydrophobicContact CD1-CD1 3.49Å; L612-I684 VanDerWaalsContact CD1-CD1 3.48Å; L612-Y687 HydrophobicContact CD1-CD1 4.26Å; L612-Y687 HydrophobicContact CD1-CD2 4.1Å; L612-Y687 HydrophobicContact CD1-CG 3.83Å; L612-Y687 HydrophobicContact CD2-CD2 3.37Å; L612-Y687 HydrophobicContact CD2-CE2 3.81Å; L612-Y687 HydrophobicContact CD2-CG 3.97Å; L612-Y687 HydrophobicContact CG-CD2 4.41Å; L612-T730 VanDerWaalsContact O-CA 3.26Å; L612-T730 WeakPolarHBondContact O-CA 3.34Å; L612-T730 WeakPolarHBondContact O-CB 3.49Å; L612-A731 WeakPolarHBondContact CB-O 3.4Å; L612-A731 PolarHBondContact N-O 3.17Å; L612-A731 PolarHBondContact O-N 3.01Å; L612-A733 HydrophobicContact CD1-CB 3.77Å; L612-A733 HydrophobicContact CG-CB 4.05Å; L612-L745 HydrophobicContact CD1-CD2 4.01Å
613	R	90.9	Very high	81	Confident	185.667 Å²	185.667	49.3 Å²	49.3	70%	0.701	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.4	176.7	-68	-178.5	142.2	145.7	3.2	110.2	Y611	Y611-R613 HydrophobicContact CD1-CG 3.96Å; Y611-R613 HydrophobicContact CE1-CG 3.51Å
614	N	91.1	Very high	82.2	Confident	82.3333 Å²	82.3333	46.1 Å²	46.1	44%	0.44	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.8	56.1	178.1	-167.7	68.2	0	0	0	112.7	H694 G729 Q775	N614-H694 PolarHBondContact ND2-CE1 3.45Å; N614-H694 PolarHBondContact ND2-NE2 3.04Å; N614-H694 PolarHBondContact O-CE1 3.16Å; N614-H694 VanDerWaalsContact O-CE1 3.31Å; N614-G729 VanDerWaalsContact CA-O 3.3Å; N614-G729 WeakPolarHBondContact CA-O 3.31Å; N614-G729 PolarHBondContact N-O 3.24Å; N614-G729 VanDerWaalsContact N-O 3.11Å; N614-Q775 PolarHBondContact OD1-NE2 3.22Å
615	V	94.2	Very high	83.1	Confident	3.33333 Å²	3.33333	43.7 Å²	43.7	2%	0.02	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	155.1	174.4	-76.8	0	0	0	0	110	L612 F617 I684 T728 G729	L612-V615 HydrophobicContact CB-CG1 4.03Å; L612-V615 HydrophobicContact CB-CG2 3.78Å; L612-V615 HydrophobicContact CD1-CG1 4.47Å; V615-F617 HydrophobicContact CB-CE1 4.42Å; V615-F617 HydrophobicContact CG2-CE1 3.6Å; V615-F617 HydrophobicContact CG2-CE2 4.39Å; V615-F617 HydrophobicContact CG2-CZ 3.45Å; V615-F617 VanDerWaalsContact CG2-CZ 3.45Å; V615-I684 HydrophobicContact CB-CD1 3.97Å; V615-I684 HydrophobicContact CB-CG1 4.16Å; V615-I684 HydrophobicContact CG1-CD1 4.22Å; V615-I684 HydrophobicContact CG2-CD1 4.1Å; V615-T728 WeakPolarHBondContact O-CA 3.3Å; V615-G729 PolarHBondContact N-O 3.19Å; V615-G729 VanDerWaalsContact N-O 3.1Å; V615-G729 PolarHBondContact O-N 3.06Å; V615-G729 VanDerWaalsContact O-N 3.08Å
616	T	95.7	Very high	84.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.6	177.2	21.2	0	0	0	0	110.4	I684 A685 H694 A695 C698 V726 T728 T772	T616-I684 CarbonylContact O-C 3.45Å; T616-I684 VanDerWaalsContact O-CA 3.24Å; T616-I684 WeakPolarHBondContact O-CA 3.46Å; T616-I684 WeakPolarHBondContact O-CG1 3.39Å; T616-A685 PolarHBondContact N-O 3.07Å; T616-A685 VanDerWaalsContact N-O 3.11Å; T616-A685 PolarHBondContact O-N 2.84Å; T616-A685 WeakPolarHBondContact OG1-CB 3.36Å; T616-A685 PolarHBondContact OG1-O 3.17Å; T616-H694 HydrophobicContact CG2-CB 4.47Å; T616-H694 VanDerWaalsContact CG2-ND1 3.25Å; T616-H694 WeakPolarHBondContact CG2-ND1 3.41Å; T616-H694 PolarHBondContact N-ND1 2.96Å; T616-H694 WeakPolarHBondContact OG1-CB 3.29Å; T616-H694 PolarHBondContact OG1-ND1 3.28Å; T616-H694 PolarHBondContact OG1-O 3.23Å; T616-A695 VanDerWaalsContact CG2-CA 3.42Å; T616-A695 HydrophobicContact CG2-CB 4.07Å; T616-C698 HydrophobicContact CG2-CB 4Å; T616-C698 PolarHBondContact OG1-SG 3.13Å; T616-C698 VanDerWaalsContact OG1-SG 3.32Å; T616-V726 HydrophobicContact CG2-CG1 3.76Å; T616-T728 HydrophobicContact CG2-CG2 3.24Å; T616-T772 HydrophobicContact CG2-CG2 4.02Å
617	F	95.4	Very high	85.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.3	170.5	-35.5	-76.2	0	0	0	109.4	V615 C683 I684 V726 H727 A731 L745 D749 V750 V753	V615-F617 HydrophobicContact CB-CE1 4.42Å; V615-F617 HydrophobicContact CG2-CE1 3.6Å; V615-F617 HydrophobicContact CG2-CE2 4.39Å; V615-F617 HydrophobicContact CG2-CZ 3.45Å; V615-F617 VanDerWaalsContact CG2-CZ 3.45Å; F617-C683 WeakPolarHBondContact CA-O 3.42Å; F617-I684 HydrophobicContact CD1-CD1 4.1Å; F617-I684 HydrophobicContact CD1-CG1 4.06Å; F617-I684 HydrophobicContact CE1-CD1 3.82Å; F617-I684 HydrophobicContact CE1-CG1 4.24Å; F617-V726 VanDerWaalsContact O-CA 3.32Å; F617-V726 WeakPolarHBondContact O-CA 3.34Å; F617-V726 WeakPolarHBondContact O-CG1 3.39Å; F617-H727 WeakPolarHBondContact CD2-O 3.44Å; F617-H727 PolarHBondContact N-O 2.94Å; F617-H727 PolarHBondContact O-N 3.35Å; F617-H727 VanDerWaalsContact O-N 3.11Å; F617-A731 HydrophobicContact CE1-CB 3.62Å; F617-A731 HydrophobicContact CZ-CB 3.45Å; F617-A731 VanDerWaalsContact CZ-CB 3.45Å; F617-L745 HydrophobicContact CD1-CD1 3.79Å; F617-L745 HydrophobicContact CE1-CD1 3.95Å; F617-D749 HydrophobicContact CE2-CB 3.95Å; F617-V750 HydrophobicContact CD1-CG2 4.43Å; F617-V750 HydrophobicContact CE1-CG2 4.13Å; F617-V750 HydrophobicContact CE2-CG2 4.3Å; F617-V750 HydrophobicContact CZ-CG2 4.07Å; F617-V753 HydrophobicContact CB-CB 4.49Å; F617-V753 HydrophobicContact CB-CG1 4.46Å; F617-V753 HydrophobicContact CB-CG2 3.79Å; F617-V753 HydrophobicContact CD2-CG2 3.8Å; F617-V753 HydrophobicContact CG-CG2 4.21Å
618	L	95.3	Very high	86	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.4	169.7	175.6	149.5	0	0	0	108.4	A620 L682 C683 C698 L701 M705 V724 S725 V726	L618-A620 HydrophobicContact CD2-CB 4.16Å; L618-L682 WeakPolarHBondContact O-CA 3.29Å; L618-C683 HydrophobicContact CB-CB 4.29Å; L618-C683 HydrophobicContact CD2-CB 4.41Å; L618-C683 PolarHBondContact N-O 3.13Å; L618-C683 PolarHBondContact O-N 3.13Å; L618-C698 HydrophobicContact CB-CB 4.47Å; L618-C698 WeakPolarHBondContact CD1-O 3.45Å; L618-L701 HydrophobicContact CD1-CD2 4.44Å; L618-L701 HydrophobicContact CD1-CG 4.46Å; L618-M705 HydrophobicContact CD2-CE 4.4Å; L618-M705 HydrophobicContact CD2-SD 4.15Å; L618-V724 HydrophobicContact CD1-CG1 3.81Å; L618-V724 HydrophobicContact CD2-CG1 4.39Å; L618-V724 HydrophobicContact CG-CG1 3.95Å; L618-S725 WeakPolarHBondContact CA-O 3.34Å; L618-V726 HydrophobicContact CB-CG2 4.16Å; L618-V726 HydrophobicContact CD1-CG2 3.97Å; L618-V726 HydrophobicContact CG-CG2 4.11Å
619	S	94.6	Very high	86.3	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.4	172.4	179.3	0	0	0	0	109.5	E680 Y681 S725 K757	S619-E680 WeakPolarHBondContact OG-CG 3.31Å; S619-E680 PolarHBondContact OG-OE1 3.09Å; S619-Y681 WeakPolarHBondContact CA-O 3.38Å; S619-S725 PolarHBondContact N-O 3.45Å; S619-S725 PolarHBondContact O-N 3.15Å; S619-S725 PolarHBondContact O-OG 3.16Å; S619-K757 WeakPolarHBondContact OG-CD 3.45Å
620	A	92.6	Very high	85.9	Confident	1.66667 Å²	1.66667	37 Å²	37	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.5	-178.7	0	0	0	0	0	112.7	L618 E680 Y681 L722 R723 V724	L618-A620 HydrophobicContact CD2-CB 4.16Å; A620-E680 CarbonylContact O-C 3.59Å; A620-E680 WeakPolarHBondContact O-CA 3.3Å; A620-Y681 PolarHBondContact N-O 3.08Å; A620-Y681 PolarHBondContact O-N 3.27Å; A620-L722 HydrophobicContact CB-CD1 4.33Å; A620-R723 CarbonylContact C-O 3.4Å; A620-R723 WeakPolarHBondContact CA-O 3.39Å; A620-V724 HydrophobicContact CB-CG2 4.13Å
621	E	91	Very high	85.2	Confident	23.6667 Å²	23.6667	37.6 Å²	37.6	11%	0.111	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	134.1	177.1	171.6	168.4	-161.1	0	0	111.3	N679 L722 R723 K757	E621-N679 VanDerWaalsContact CB-O 3.26Å; E621-N679 WeakPolarHBondContact CB-O 3.42Å; E621-N679 VanDerWaalsContact CG-O 3.24Å; E621-N679 WeakPolarHBondContact CG-O 3.33Å; E621-L722 WeakPolarHBondContact O-CA 3.36Å; E621-R723 PolarHBondContact N-O 2.96Å; E621-R723 PolarHBondContact O-N 3.1Å; E621-K757 HydrophobicContact CB-CD 3.67Å; E621-K757 HydrophobicContact CB-CG 4.37Å; E621-K757 VanDerWaalsContact OE2-CE 3.26Å; E621-K757 WeakPolarHBondContact OE2-CE 3.4Å; E621-K757 IonicContact OE2-NZ 2.95Å; E621-K757 PolarHBondContact OE2-NZ 3.2Å
622	L	87.7	Confident	84.3	Confident	18 Å²	18	33.5 Å²	33.5	9%	0.094	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	112	170.9	-171	69.2	0	0	0	108.9	L625 F654 I709 L720	L622-L625 HydrophobicContact CB-CB 4.38Å; L622-L625 HydrophobicContact CB-CD2 4.4Å; L622-L625 HydrophobicContact CD2-CB 4.46Å; L622-L625 HydrophobicContact CD2-CD1 4.28Å; L622-L625 HydrophobicContact CD2-CD2 4.34Å; L622-L625 WeakPolarHBondContact O-CB 3.48Å; L622-L625 PolarHBondContact O-N 3.11Å; L622-F654 HydrophobicContact CD2-CE1 4.47Å; L622-I709 HydrophobicContact CD1-CD1 4.37Å; L622-I709 HydrophobicContact CD1-CG2 4.43Å; L622-L720 HydrophobicContact CD1-CB 4.39Å
623	V	83.6	Confident	83.3	Confident	25.3333 Å²	25.3333	35.7 Å²	35.7	15%	0.154	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	137.8	-172.4	-175.3	0	0	0	0	110.5	L625 E721 R723 W849 L852	V623-L625 PolarHBondContact O-N 3.27Å; V623-E721 HydrophobicContact CB-CB 3.91Å; V623-E721 HydrophobicContact CG2-CB 3.75Å; V623-E721 WeakPolarHBondContact CG2-O 3.4Å; V623-E721 PolarHBondContact N-O 3.04Å; V623-R723 HydrophobicContact CG2-CG 3.63Å; V623-R723 VanDerWaalsContact CG2-NE 3.3Å; V623-W849 HydrophobicContact CB-CH2 3.73Å; V623-W849 HydrophobicContact CB-CZ2 3.91Å; V623-W849 HydrophobicContact CG1-CH2 3.59Å; V623-W849 HydrophobicContact CG1-CZ2 3.44Å; V623-W849 VanDerWaalsContact CG1-CZ2 3.44Å; V623-W849 HydrophobicContact CG1-CZ3 4.37Å; V623-L852 VanDerWaalsContact O-CD2 3.28Å; V623-L852 WeakPolarHBondContact O-CD2 3.41Å
624	G	75.2	Confident	82.3	Confident	9.33333 Å²	9.33333	30.2 Å²	30.2	10%	0.096	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-6.6	178.2	0	0	0	0	0	114.8	S626 N627 L628 L852	G624-S626 VanDerWaalsContact C-N 3.26Å; G624-S626 PolarHBondContact O-N 3.08Å; G624-N627 WeakPolarHBondContact O-CA 3.39Å; G624-N627 WeakPolarHBondContact O-CB 3.45Å; G624-N627 PolarHBondContact O-N 2.99Å; G624-L628 PolarHBondContact O-N 2.94Å; G624-L852 VanDerWaalsContact O-CD2 3.31Å; G624-L852 WeakPolarHBondContact O-CD2 3.34Å
625	L	77.8	Confident	81	Confident	10.6667 Å²	10.6667	27.7 Å²	27.7	6%	0.056	18%	0.177	C	C	.	.	H	α-helix	trans	-58.5	-38.1	178.6	-173.4	64.1	0	0	0	112.2	L622 V623 N627 L628 S629 F651 I655	L622-L625 HydrophobicContact CB-CB 4.38Å; L622-L625 HydrophobicContact CB-CD2 4.4Å; L622-L625 HydrophobicContact CD2-CB 4.46Å; L622-L625 HydrophobicContact CD2-CD1 4.28Å; L622-L625 HydrophobicContact CD2-CD2 4.34Å; L622-L625 WeakPolarHBondContact O-CB 3.48Å; L622-L625 PolarHBondContact O-N 3.11Å; V623-L625 PolarHBondContact O-N 3.27Å; L625-N627 VanDerWaalsContact C-N 3.32Å; L625-N627 PolarHBondContact O-N 3.06Å; L625-L628 PolarHBondContact O-N 3.11Å; L625-S629 WeakPolarHBondContact O-CB 3.4Å; L625-S629 PolarHBondContact O-N 3.14Å; L625-F651 HydrophobicContact CD1-CE2 3.66Å; L625-F651 HydrophobicContact CD1-CZ 3.61Å; L625-F651 HydrophobicContact CG-CZ 4.42Å; L625-I655 HydrophobicContact CD1-CD1 4.15Å; L625-I655 HydrophobicContact CD1-CG1 4.3Å; L625-I655 HydrophobicContact CD2-CD1 4.38Å; L625-I655 HydrophobicContact CD2-CG1 4.5Å
626	S	73.9	Confident	79.5	Confident	35.3333 Å²	35.3333	30.7 Å²	30.7	25%	0.247	19%	0.19	C	C	.	.	H	α-helix	trans	-57.9	-45.2	171.3	54.7	0	0	0	0	112.1	G624 S629 S630	G624-S626 VanDerWaalsContact C-N 3.26Å; G624-S626 PolarHBondContact O-N 3.08Å; S626-S629 PolarHBondContact O-N 3.27Å; S626-S629 PolarHBondContact O-OG 2.92Å; S626-S630 PolarHBondContact O-N 3.25Å; S626-S630 PolarHBondContact O-OG 3.11Å
627	N	73.6	Confident	77.9	Confident	78.3333 Å²	78.3333	39 Å²	39	42%	0.419	23%	0.226	S	C	.	.	H	α-helix	trans	-71.9	-38.9	-175.3	-61	10.2	0	0	0	110.7	G624 L625 S629 S630 N631	G624-N627 WeakPolarHBondContact O-CA 3.39Å; G624-N627 WeakPolarHBondContact O-CB 3.45Å; G624-N627 PolarHBondContact O-N 2.99Å; L625-N627 VanDerWaalsContact C-N 3.32Å; L625-N627 PolarHBondContact O-N 3.06Å; N627-S629 VanDerWaalsContact C-N 3.34Å; N627-S629 PolarHBondContact O-N 2.84Å; N627-S630 WeakPolarHBondContact CA-OG 3.28Å; N627-S630 PolarHBondContact O-N 3.2Å; N627-S630 PolarHBondContact O-OG 2.97Å; N627-N631 VanDerWaalsContact O-CB 3.27Å; N627-N631 WeakPolarHBondContact O-CB 3.36Å; N627-N631 PolarHBondContact O-N 3.2Å; N627-N631 PolarHBondContact O-ND2 3.37Å; N627-N631 PolarHBondContact O-OD1 3.09Å
628	L	73.1	Confident	76	Confident	24.6667 Å²	24.6667	42.9 Å²	42.9	13%	0.129	25%	0.253	C	S	.	.	H	α-helix	trans	-61.2	-44.3	169.8	-100.7	171.8	0	0	0	111	G624 L625 S630 N631 L632 F651 L852 L855 I864	G624-L628 PolarHBondContact O-N 2.94Å; L625-L628 PolarHBondContact O-N 3.11Å; L628-S630 VanDerWaalsContact C-N 3.3Å; L628-S630 PolarHBondContact O-N 3.37Å; L628-N631 PolarHBondContact O-N 3.46Å; L628-L632 HydrophobicContact CD2-CD1 3.62Å; L628-L632 HydrophobicContact CD2-CG 4.19Å; L628-L632 WeakPolarHBondContact O-CB 3.34Å; L628-L632 VanDerWaalsContact O-CG 3.26Å; L628-L632 WeakPolarHBondContact O-CG 3.38Å; L628-L632 PolarHBondContact O-N 2.97Å; L628-F651 HydrophobicContact CB-CE2 4.18Å; L628-F651 HydrophobicContact CB-CZ 4.28Å; L628-F651 HydrophobicContact CD1-CE2 4.22Å; L628-F651 HydrophobicContact CD2-CD2 3.62Å; L628-F651 HydrophobicContact CD2-CE2 3.28Å; L628-F651 HydrophobicContact CD2-CG 4.4Å; L628-F651 HydrophobicContact CD2-CZ 3.78Å; L628-L852 HydrophobicContact CB-CD2 3.85Å; L628-L852 HydrophobicContact CD1-CD1 3.91Å; L628-L852 HydrophobicContact CD1-CD2 3.92Å; L628-L852 HydrophobicContact CD1-CG 3.74Å; L628-L852 HydrophobicContact CD2-CD2 4.47Å; L628-L852 WeakPolarHBondContact CD2-O 3.37Å; L628-L852 HydrophobicContact CG-CD2 4.21Å; L628-L852 HydrophobicContact CG-CG 3.96Å; L628-L855 HydrophobicContact CD1-CD1 4.13Å; L628-L855 HydrophobicContact CD2-CD1 4.25Å; L628-I864 HydrophobicContact CD2-CD1 4.35Å
629	S	75.4	Confident	73.8	Confident	55 Å²	55	48.4 Å²	48.4	39%	0.385	28%	0.283	S	S	.	.	H	α-helix	trans	-63.5	-38.2	177.8	81.4	0	0	0	0	112.9	L625 S626 N627 A633	L625-S629 WeakPolarHBondContact O-CB 3.4Å; L625-S629 PolarHBondContact O-N 3.14Å; S626-S629 PolarHBondContact O-N 3.27Å; S626-S629 PolarHBondContact O-OG 2.92Å; N627-S629 VanDerWaalsContact C-N 3.34Å; N627-S629 PolarHBondContact O-N 2.84Å; S629-A633 VanDerWaalsContact O-CB 3.29Å; S629-A633 WeakPolarHBondContact O-CB 3.33Å; S629-A633 PolarHBondContact O-N 3.22Å
630	S	73.7	Confident	71.8	Confident	59.3333 Å²	59.3333	54.2 Å²	54.2	42%	0.415	32%	0.318	S	S	.	.	H	α-helix	trans	-72.9	-36.9	176.2	58.5	0	0	0	0	112.7	S626 N627 L628 A633 S634	S626-S630 PolarHBondContact O-N 3.25Å; S626-S630 PolarHBondContact O-OG 3.11Å; N627-S630 WeakPolarHBondContact CA-OG 3.28Å; N627-S630 PolarHBondContact O-N 3.2Å; N627-S630 PolarHBondContact O-OG 2.97Å; L628-S630 VanDerWaalsContact C-N 3.3Å; L628-S630 PolarHBondContact O-N 3.37Å; S630-A633 PolarHBondContact O-N 3.05Å; S630-S634 WeakPolarHBondContact O-CB 3.34Å; S630-S634 PolarHBondContact O-N 3.36Å; S630-S634 PolarHBondContact O-OG 2.95Å
631	N	71.8	Confident	69.9	Low	64.6667 Å²	64.6667	59.4 Å²	59.4	35%	0.346	35%	0.346	S	S	.	.	H	α-helix	trans	-67.5	-44	177.3	-69.5	1.3	0	0	0	110.2	N627 L628 A633 S634 T635	N627-N631 VanDerWaalsContact O-CB 3.27Å; N627-N631 WeakPolarHBondContact O-CB 3.36Å; N627-N631 PolarHBondContact O-N 3.2Å; N627-N631 PolarHBondContact O-ND2 3.37Å; N627-N631 PolarHBondContact O-OD1 3.09Å; L628-N631 PolarHBondContact O-N 3.46Å; N631-A633 PolarHBondContact O-N 3.13Å; N631-S634 PolarHBondContact O-N 3.12Å; N631-S634 VanDerWaalsContact O-N 3.09Å; N631-S634 PolarHBondContact O-OG 3.27Å; N631-T635 WeakPolarHBondContact O-CB 3.48Å; N631-T635 PolarHBondContact O-N 3.36Å; N631-T635 VanDerWaalsContact O-N 3.11Å; N631-T635 PolarHBondContact O-OG1 3Å
632	L	72.1	Confident	68.3	Low	13.3333 Å²	13.3333	65.6 Å²	65.6	7%	0.07	38%	0.378	C	S	.	.	H	α-helix	trans	-57.2	-50.9	169.7	-73.3	173.5	0	0	0	111.2	L628 S634 T635 F636 I647 F651 I864	L628-L632 HydrophobicContact CD2-CD1 3.62Å; L628-L632 HydrophobicContact CD2-CG 4.19Å; L628-L632 WeakPolarHBondContact O-CB 3.34Å; L628-L632 VanDerWaalsContact O-CG 3.26Å; L628-L632 WeakPolarHBondContact O-CG 3.38Å; L628-L632 PolarHBondContact O-N 2.97Å; L632-S634 VanDerWaalsContact C-N 3.3Å; L632-S634 PolarHBondContact O-N 3.39Å; L632-T635 WeakPolarHBondContact O-CA 3.41Å; L632-T635 WeakPolarHBondContact O-CB 3.48Å; L632-T635 PolarHBondContact O-N 2.97Å; L632-T635 VanDerWaalsContact O-N 3.11Å; L632-F636 HydrophobicContact CB-CE2 3.86Å; L632-F636 HydrophobicContact CB-CZ 3.86Å; L632-F636 HydrophobicContact CD2-CE1 4.43Å; L632-F636 HydrophobicContact CD2-CZ 4.03Å; L632-F636 HydrophobicContact CG-CZ 4.44Å; L632-F636 WeakPolarHBondContact O-CD2 3.4Å; L632-F636 WeakPolarHBondContact O-CE2 3.42Å; L632-F636 WeakPolarHBondContact O-CG 3.38Å; L632-F636 PolarHBondContact O-N 3.19Å; L632-I647 HydrophobicContact CD2-CG2 3.8Å; L632-F651 HydrophobicContact CD1-CB 4.2Å; L632-F651 HydrophobicContact CD1-CD1 3.91Å; L632-F651 HydrophobicContact CD1-CD2 3.98Å; L632-F651 HydrophobicContact CD1-CE1 4.22Å; L632-F651 HydrophobicContact CD1-CE2 4.11Å; L632-F651 HydrophobicContact CD1-CG 3.78Å; L632-F651 HydrophobicContact CD1-CZ 4.27Å; L632-I864 HydrophobicContact CD1-CD1 3.94Å; L632-I864 HydrophobicContact CD2-CD1 3.82Å; L632-I864 HydrophobicContact CG-CD1 4.24Å
633	A	70.2	Confident	67.2	Low	58.6667 Å²	58.6667	70.1 Å²	70.1	49%	0.485	40%	0.402	S	S	.	.	H	α-helix	trans	-58.4	-36.9	178.3	0	0	0	0	0	113.6	S629 S630 N631 K637	S629-A633 VanDerWaalsContact O-CB 3.29Å; S629-A633 WeakPolarHBondContact O-CB 3.33Å; S629-A633 PolarHBondContact O-N 3.22Å; S630-A633 PolarHBondContact O-N 3.05Å; N631-A633 PolarHBondContact O-N 3.13Å; A633-K637 PolarHBondContact O-N 3.18Å
634	S	69.5	Low	66.4	Low	69.6667 Å²	69.6667	70.7 Å²	70.7	49%	0.487	40%	0.403	S	S	.	.	H	α-helix	trans	-70.4	-38.8	174.7	72.1	0	0	0	0	112.1	S630 N631 L632 F636 K637	S630-S634 WeakPolarHBondContact O-CB 3.34Å; S630-S634 PolarHBondContact O-N 3.36Å; S630-S634 PolarHBondContact O-OG 2.95Å; N631-S634 PolarHBondContact O-N 3.12Å; N631-S634 VanDerWaalsContact O-N 3.09Å; N631-S634 PolarHBondContact O-OG 3.27Å; L632-S634 VanDerWaalsContact C-N 3.3Å; L632-S634 PolarHBondContact O-N 3.39Å; S634-F636 VanDerWaalsContact C-N 3.31Å; S634-F636 PolarHBondContact O-N 2.98Å; S634-K637 WeakPolarHBondContact O-CB 3.31Å; S634-K637 PolarHBondContact O-N 3.21Å; S634-K637 VanDerWaalsContact O-N 3.12Å
635	T	64.6	Low	66.2	Low	31 Å²	31	76.5 Å²	76.5	19%	0.19	43%	0.428	C	S	.	.	H	α-helix	trans	-63.1	-41.2	175.4	-55.9	0	0	0	0	111.6	N631 L632 K637 S638 L857	N631-T635 WeakPolarHBondContact O-CB 3.48Å; N631-T635 PolarHBondContact O-N 3.36Å; N631-T635 VanDerWaalsContact O-N 3.11Å; N631-T635 PolarHBondContact O-OG1 3Å; L632-T635 WeakPolarHBondContact O-CA 3.41Å; L632-T635 WeakPolarHBondContact O-CB 3.48Å; L632-T635 PolarHBondContact O-N 2.97Å; L632-T635 VanDerWaalsContact O-N 3.11Å; T635-K637 PolarHBondContact O-N 3.13Å; T635-K637 VanDerWaalsContact O-N 3.12Å; T635-S638 PolarHBondContact O-N 3.06Å; T635-L857 HydrophobicContact CG2-CD1 3.95Å; T635-L857 HydrophobicContact CG2-CD2 4.1Å; T635-L857 HydrophobicContact CG2-CG 4.25Å
636	F	62.2	Low	65.9	Low	67 Å²	67	80.1 Å²	80.1	29%	0.294	45%	0.447	S	S	.	.	H	α-helix	trans	-62	-20.6	175.6	-62.7	-46.9	0	0	0	114	L632 S634 S638 H644 C648	L632-F636 HydrophobicContact CB-CE2 3.86Å; L632-F636 HydrophobicContact CB-CZ 3.86Å; L632-F636 HydrophobicContact CD2-CE1 4.43Å; L632-F636 HydrophobicContact CD2-CZ 4.03Å; L632-F636 HydrophobicContact CG-CZ 4.44Å; L632-F636 WeakPolarHBondContact O-CD2 3.4Å; L632-F636 WeakPolarHBondContact O-CE2 3.42Å; L632-F636 WeakPolarHBondContact O-CG 3.38Å; L632-F636 PolarHBondContact O-N 3.19Å; S634-F636 VanDerWaalsContact C-N 3.31Å; S634-F636 PolarHBondContact O-N 2.98Å; F636-S638 VanDerWaalsContact C-N 3.29Å; F636-S638 PolarHBondContact O-N 3.05Å; F636-H644 HydrophobicContact CD1-CB 3.72Å; F636-H644 AromaticContact CD1-CG 3.64Å; F636-H644 AromaticContact CD1-ND1 3.44Å; F636-H644 WeakPolarHBondContact CD1-ND1 3.41Å; F636-H644 VanDerWaalsContact CE1-C 3.46Å; F636-H644 HydrophobicContact CE1-CB 3.75Å; F636-H644 AromaticContact CE1-ND1 3.71Å; F636-H644 VanDerWaalsContact CE1-O 3.22Å; F636-H644 WeakPolarHBondContact CE1-O 3.34Å; F636-H644 HydrophobicContact CZ-CB 4.28Å; F636-H644 WeakPolarHBondContact CZ-O 3.5Å; F636-C648 HydrophobicContact CE1-CB 4.2Å; F636-C648 HydrophobicContact CE2-CB 4.18Å; F636-C648 WeakPolarHBondContact CE2-SG 3.36Å; F636-C648 HydrophobicContact CZ-CB 3.47Å; F636-C648 VanDerWaalsContact CZ-CB 3.47Å; F636-C648 VanDerWaalsContact CZ-SG 3.52Å; F636-C648 WeakPolarHBondContact CZ-SG 3.36Å
637	K	61.6	Low	65.8	Low	173 Å²	173	79.8 Å²	79.8	75%	0.752	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-11.7	176.7	-158.2	178.5	179.6	-175.3	0	113.1	A633 S634 T635 W1171	A633-K637 PolarHBondContact O-N 3.18Å; S634-K637 WeakPolarHBondContact O-CB 3.31Å; S634-K637 PolarHBondContact O-N 3.21Å; S634-K637 VanDerWaalsContact O-N 3.12Å; T635-K637 PolarHBondContact O-N 3.13Å; T635-K637 VanDerWaalsContact O-N 3.12Å; K637-W1171 WeakPolarHBondContact CE-O 3.49Å
638	S	56.4	Low	66.2	Low	82 Å²	82	77.7 Å²	77.7	57%	0.573	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	1	-172.5	-167.1	0	0	0	0	114.4	T635 F636 T640	T635-S638 PolarHBondContact O-N 3.06Å; F636-S638 VanDerWaalsContact C-N 3.29Å; F636-S638 PolarHBondContact O-N 3.05Å; S638-T640 PolarHBondContact O-N 2.8Å
639	N	49.8	Very low	66.6	Low	116.333 Å²	116.333	80.2 Å²	80.2	62%	0.622	44%	0.444	S	S	*	.			trans	-125.1	112.3	-176	-81.7	-45.5	0	0	0	113.4	N641 H644	N639-N641 VanDerWaalsContact C-N 3.28Å; N639-N641 PolarHBondContact O-N 3.13Å; N639-N641 VanDerWaalsContact O-N 3.11Å; N639-H644 PolarHBondContact O-CD2 3.28Å; N639-H644 VanDerWaalsContact O-CD2 3.24Å; N639-H644 PolarHBondContact O-NE2 3.48Å
640	T	51.5	Low	66.8	Low	121 Å²	121	79.5 Å²	79.5	74%	0.742	44%	0.435	S	S	*	.			trans	-96.3	78.5	-178.8	54.9	0	0	0	0	112.4	S638 H644	S638-T640 PolarHBondContact O-N 2.8Å; T640-H644 PolarHBondContact O-CD2 3.44Å; T640-H644 PolarHBondContact O-NE2 3.5Å; T640-H644 PolarHBondContact OG1-NE2 3.18Å
641	N	53.7	Low	67.3	Low	111.667 Å²	111.667	77.7 Å²	77.7	60%	0.597	42%	0.419	S	S	*	.			trans	-98.1	136.6	-173.1	-71.9	-29.7	0	0	0	112.9	N639 N643 H644	N639-N641 VanDerWaalsContact C-N 3.28Å; N639-N641 PolarHBondContact O-N 3.13Å; N639-N641 VanDerWaalsContact O-N 3.11Å; N641-N643 PolarHBondContact O-N 3.08Å; N641-H644 PolarHBondContact O-CD2 3.44Å; N641-H644 PolarHBondContact O-N 3.08Å; N641-H644 VanDerWaalsContact O-N 3.15Å
642	I	57.6	Low	68	Low	153 Å²	153	78.1 Å²	78.1	79%	0.785	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-22.5	-36.4	174.1	-62	163.4	0	0	0	114.3	H644 E645	I642-H644 PolarHBondContact O-N 3.18Å; I642-E645 PolarHBondContact O-N 3.16Å; I642-E645 VanDerWaalsContact O-N 3.13Å
643	N	63.6	Low	68.6	Low	112.667 Å²	112.667	79.5 Å²	79.5	60%	0.602	43%	0.432	S	S	*	.	H	α-helix	trans	-65.4	-20.6	-175.6	-62	-1.4	0	0	0	114.9	N641 E645 L646 I647	N641-N643 PolarHBondContact O-N 3.08Å; N643-E645 PolarHBondContact O-N 2.92Å; N643-L646 WeakPolarHBondContact O-CB 3.19Å; N643-L646 PolarHBondContact O-N 3.24Å; N643-I647 WeakPolarHBondContact O-CG1 3.34Å; N643-I647 PolarHBondContact O-N 3.22Å
644	H	67.6	Low	69.4	Low	39 Å²	39	76.9 Å²	76.9	18%	0.181	41%	0.41	C	S	.	.	H	α-helix	trans	-67.2	-35.8	-176.3	-69.6	-55.8	0	0	0	113.6	F636 N639 T640 N641 I642 L646 I647 C648	F636-H644 HydrophobicContact CD1-CB 3.72Å; F636-H644 AromaticContact CD1-CG 3.64Å; F636-H644 AromaticContact CD1-ND1 3.44Å; F636-H644 WeakPolarHBondContact CD1-ND1 3.41Å; F636-H644 VanDerWaalsContact CE1-C 3.46Å; F636-H644 HydrophobicContact CE1-CB 3.75Å; F636-H644 AromaticContact CE1-ND1 3.71Å; F636-H644 VanDerWaalsContact CE1-O 3.22Å; F636-H644 WeakPolarHBondContact CE1-O 3.34Å; F636-H644 HydrophobicContact CZ-CB 4.28Å; F636-H644 WeakPolarHBondContact CZ-O 3.5Å; N639-H644 PolarHBondContact O-CD2 3.28Å; N639-H644 VanDerWaalsContact O-CD2 3.24Å; N639-H644 PolarHBondContact O-NE2 3.48Å; T640-H644 PolarHBondContact O-CD2 3.44Å; T640-H644 PolarHBondContact O-NE2 3.5Å; T640-H644 PolarHBondContact OG1-NE2 3.18Å; N641-H644 PolarHBondContact O-CD2 3.44Å; N641-H644 PolarHBondContact O-N 3.08Å; N641-H644 VanDerWaalsContact O-N 3.15Å; I642-H644 PolarHBondContact O-N 3.18Å; H644-L646 VanDerWaalsContact C-N 3.34Å; H644-L646 PolarHBondContact O-N 3.29Å; H644-I647 PolarHBondContact O-N 3.22Å; H644-C648 PolarHBondContact O-N 3.23Å; H644-C648 VanDerWaalsContact O-N 3.1Å; H644-C648 PolarHBondContact O-SG 3.37Å
645	E	70.6	Confident	70.3	Confident	130.667 Å²	130.667	75.3 Å²	75.3	61%	0.611	40%	0.395	S	S	*	.	H	α-helix	trans	-65.7	-40.2	177.9	-138.4	-175	164.3	0	0	111.2	I642 N643 I647 C648 Q649	I642-E645 PolarHBondContact O-N 3.16Å; I642-E645 VanDerWaalsContact O-N 3.13Å; N643-E645 PolarHBondContact O-N 2.92Å; E645-I647 VanDerWaalsContact C-N 3.32Å; E645-I647 PolarHBondContact O-N 3.01Å; E645-C648 WeakPolarHBondContact O-CA 3.21Å; E645-C648 WeakPolarHBondContact O-CB 3.36Å; E645-C648 PolarHBondContact O-N 3.19Å; E645-Q649 HydrophobicContact CG-CG 4.44Å; E645-Q649 WeakPolarHBondContact O-CB 3.5Å; E645-Q649 VanDerWaalsContact O-CG 3.28Å; E645-Q649 WeakPolarHBondContact O-CG 3.41Å; E645-Q649 PolarHBondContact O-N 3.3Å; E645-Q649 PolarHBondContact OE1-NE2 2.98Å
646	L	70.4	Confident	71.5	Confident	86.3333 Å²	86.3333	77 Å²	77	45%	0.452	40%	0.403	S	S	.	.	H	α-helix	trans	-60.6	-43	177.1	-169.5	74.3	0	0	0	111.6	N643 H644 C648 Q649 Q650	N643-L646 WeakPolarHBondContact O-CB 3.19Å; N643-L646 PolarHBondContact O-N 3.24Å; H644-L646 VanDerWaalsContact C-N 3.34Å; H644-L646 PolarHBondContact O-N 3.29Å; L646-C648 VanDerWaalsContact C-N 3.3Å; L646-C648 PolarHBondContact O-N 2.98Å; L646-Q649 PolarHBondContact O-N 2.86Å; L646-Q650 WeakPolarHBondContact O-CB 3.32Å; L646-Q650 VanDerWaalsContact O-CG 3.23Å; L646-Q650 WeakPolarHBondContact O-CG 3.32Å; L646-Q650 PolarHBondContact O-N 3.07Å
647	I	73.6	Confident	72.7	Confident	29 Å²	29	75.7 Å²	75.7	15%	0.149	40%	0.399	C	S	.	.	H	α-helix	trans	-65.3	-39.2	177	-62.7	167.3	0	0	0	110.7	L632 N643 H644 E645 Q650 F651 I864	L632-I647 HydrophobicContact CD2-CG2 3.8Å; N643-I647 WeakPolarHBondContact O-CG1 3.34Å; N643-I647 PolarHBondContact O-N 3.22Å; H644-I647 PolarHBondContact O-N 3.22Å; E645-I647 VanDerWaalsContact C-N 3.32Å; E645-I647 PolarHBondContact O-N 3.01Å; I647-Q650 PolarHBondContact O-N 3.01Å; I647-F651 WeakPolarHBondContact O-CB 3.29Å; I647-F651 PolarHBondContact O-N 3.04Å; I647-I864 HydrophobicContact CG2-CD1 3.82Å; I647-I864 HydrophobicContact CG2-CG2 4.44Å
648	C	80.9	Confident	74.1	Confident	34.6667 Å²	34.6667	67.8 Å²	67.8	23%	0.234	37%	0.365	C	S	.	.	H	α-helix	trans	-59.4	-48.7	172.6	-89.8	0	0	0	0	111.7	F636 H644 E645 L646 Q650 F651 I652	F636-C648 HydrophobicContact CE1-CB 4.2Å; F636-C648 HydrophobicContact CE2-CB 4.18Å; F636-C648 WeakPolarHBondContact CE2-SG 3.36Å; F636-C648 HydrophobicContact CZ-CB 3.47Å; F636-C648 VanDerWaalsContact CZ-CB 3.47Å; F636-C648 VanDerWaalsContact CZ-SG 3.52Å; F636-C648 WeakPolarHBondContact CZ-SG 3.36Å; H644-C648 PolarHBondContact O-N 3.23Å; H644-C648 VanDerWaalsContact O-N 3.1Å; H644-C648 PolarHBondContact O-SG 3.37Å; E645-C648 WeakPolarHBondContact O-CA 3.21Å; E645-C648 WeakPolarHBondContact O-CB 3.36Å; E645-C648 PolarHBondContact O-N 3.19Å; L646-C648 VanDerWaalsContact C-N 3.3Å; L646-C648 PolarHBondContact O-N 2.98Å; C648-Q650 VanDerWaalsContact C-N 3.32Å; C648-Q650 PolarHBondContact O-N 3.33Å; C648-F651 PolarHBondContact O-N 3.22Å; C648-I652 WeakPolarHBondContact O-CB 3.33Å; C648-I652 WeakPolarHBondContact O-CD1 3.39Å; C648-I652 VanDerWaalsContact O-CG1 3.28Å; C648-I652 WeakPolarHBondContact O-CG1 3.4Å; C648-I652 PolarHBondContact O-N 3.38Å
649	Q	81.2	Confident	75.7	Confident	75.6667 Å²	75.6667	65.1 Å²	65.1	35%	0.354	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-40.8	-179.4	-69.6	173.6	9.4	0	0	111.4	E645 L646 I652 S653 H916 F1107	E645-Q649 HydrophobicContact CG-CG 4.44Å; E645-Q649 WeakPolarHBondContact O-CB 3.5Å; E645-Q649 VanDerWaalsContact O-CG 3.28Å; E645-Q649 WeakPolarHBondContact O-CG 3.41Å; E645-Q649 PolarHBondContact O-N 3.3Å; E645-Q649 PolarHBondContact OE1-NE2 2.98Å; L646-Q649 PolarHBondContact O-N 2.86Å; Q649-I652 PolarHBondContact O-N 2.92Å; Q649-S653 WeakPolarHBondContact O-CB 3.27Å; Q649-S653 PolarHBondContact O-N 3.17Å; Q649-H916 PolarHBondContact NE2-CD2 2.74Å; Q649-H916 PolarHBondContact OE1-CD2 2.9Å; Q649-H916 VanDerWaalsContact OE1-CD2 3.28Å; Q649-H916 PolarHBondContact OE1-CE1 2.95Å; Q649-F1107 HydrophobicContact CG-CZ 4.4Å
650	Q	80.8	Confident	77.7	Confident	40.3333 Å²	40.3333	62.4 Å²	62.4	19%	0.188	33%	0.331	C	S	.	.	H	α-helix	trans	-67.2	-41.6	176.6	-71.4	164.8	-10.2	0	0	112.7	L646 I647 C648 S653 F654 I864 T865	L646-Q650 WeakPolarHBondContact O-CB 3.32Å; L646-Q650 VanDerWaalsContact O-CG 3.23Å; L646-Q650 WeakPolarHBondContact O-CG 3.32Å; L646-Q650 PolarHBondContact O-N 3.07Å; I647-Q650 PolarHBondContact O-N 3.01Å; C648-Q650 VanDerWaalsContact C-N 3.32Å; C648-Q650 PolarHBondContact O-N 3.33Å; Q650-S653 WeakPolarHBondContact O-CB 3.38Å; Q650-S653 PolarHBondContact O-N 3.02Å; Q650-F654 WeakPolarHBondContact O-CB 3.34Å; Q650-F654 PolarHBondContact O-N 3.21Å; Q650-I864 HydrophobicContact CB-CG2 3.96Å; Q650-T865 VanDerWaalsContact CD-CG2 3.49Å
651	F	84.3	Confident	79.5	Confident	21.6667 Å²	21.6667	56.7 Å²	56.7	10%	0.095	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-42.3	174.3	177.8	-112.5	0	0	0	112	L625 L628 L632 I647 C648 F654 I655 I864	L625-F651 HydrophobicContact CD1-CE2 3.66Å; L625-F651 HydrophobicContact CD1-CZ 3.61Å; L625-F651 HydrophobicContact CG-CZ 4.42Å; L628-F651 HydrophobicContact CB-CE2 4.18Å; L628-F651 HydrophobicContact CB-CZ 4.28Å; L628-F651 HydrophobicContact CD1-CE2 4.22Å; L628-F651 HydrophobicContact CD2-CD2 3.62Å; L628-F651 HydrophobicContact CD2-CE2 3.28Å; L628-F651 HydrophobicContact CD2-CG 4.4Å; L628-F651 HydrophobicContact CD2-CZ 3.78Å; L632-F651 HydrophobicContact CD1-CB 4.2Å; L632-F651 HydrophobicContact CD1-CD1 3.91Å; L632-F651 HydrophobicContact CD1-CD2 3.98Å; L632-F651 HydrophobicContact CD1-CE1 4.22Å; L632-F651 HydrophobicContact CD1-CE2 4.11Å; L632-F651 HydrophobicContact CD1-CG 3.78Å; L632-F651 HydrophobicContact CD1-CZ 4.27Å; I647-F651 WeakPolarHBondContact O-CB 3.29Å; I647-F651 PolarHBondContact O-N 3.04Å; C648-F651 PolarHBondContact O-N 3.22Å; F651-F654 PolarHBondContact O-N 3.23Å; F651-I655 HydrophobicContact CD1-CD1 4.02Å; F651-I655 HydrophobicContact CD2-CD1 4.32Å; F651-I655 HydrophobicContact CE1-CD1 3.6Å; F651-I655 HydrophobicContact CE2-CD1 4.12Å; F651-I655 HydrophobicContact CE2-CG1 4.18Å; F651-I655 HydrophobicContact CG-CD1 4.43Å; F651-I655 HydrophobicContact CZ-CD1 3.67Å; F651-I655 VanDerWaalsContact CZ-CD1 3.45Å; F651-I655 HydrophobicContact CZ-CG1 4.36Å; F651-I655 WeakPolarHBondContact O-CG1 3.34Å; F651-I655 PolarHBondContact O-N 3.28Å; F651-I655 VanDerWaalsContact O-N 3.09Å; F651-I864 HydrophobicContact CB-CG2 4.14Å; F651-I864 HydrophobicContact CD2-CD1 4.44Å
652	I	85.6	Confident	81.4	Confident	74 Å²	74	51.6 Å²	51.6	38%	0.379	27%	0.268	S	S	.	.	H	α-helix	trans	-66.3	-38.9	174.5	-68.2	165.2	0	0	0	111	C648 Q649 I655 N656 M1103 F1107	C648-I652 WeakPolarHBondContact O-CB 3.33Å; C648-I652 WeakPolarHBondContact O-CD1 3.39Å; C648-I652 VanDerWaalsContact O-CG1 3.28Å; C648-I652 WeakPolarHBondContact O-CG1 3.4Å; C648-I652 PolarHBondContact O-N 3.38Å; Q649-I652 PolarHBondContact O-N 2.92Å; I652-I655 PolarHBondContact O-N 3.15Å; I652-N656 WeakPolarHBondContact O-CB 3.45Å; I652-N656 PolarHBondContact O-N 3.09Å; I652-N656 PolarHBondContact O-ND2 3.2Å; I652-M1103 HydrophobicContact CD1-CE 4.3Å; I652-F1107 HydrophobicContact CD1-CE1 4.01Å; I652-F1107 HydrophobicContact CD1-CZ 4.24Å
653	S	84.9	Confident	83	Confident	41.6667 Å²	41.6667	45.9 Å²	45.9	29%	0.291	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-47.1	174.4	-164.3	0	0	0	0	111.5	Q649 Q650 I655 N656 D657	Q649-S653 WeakPolarHBondContact O-CB 3.27Å; Q649-S653 PolarHBondContact O-N 3.17Å; Q650-S653 WeakPolarHBondContact O-CB 3.38Å; Q650-S653 PolarHBondContact O-N 3.02Å; S653-I655 VanDerWaalsContact C-N 3.35Å; S653-I655 PolarHBondContact O-N 3.14Å; S653-N656 CarbonylContact O-C 3.6Å; S653-N656 PolarHBondContact O-N 2.99Å; S653-N656 VanDerWaalsContact O-N 3.14Å; S653-D657 WeakPolarHBondContact O-CB 3.29Å; S653-D657 VanDerWaalsContact O-CG 3.29Å; S653-D657 PolarHBondContact O-N 3.1Å; S653-D657 PolarHBondContact OG-OD2 2.9Å
654	F	86.9	Confident	84.4	Confident	5 Å²	5	41.9 Å²	41.9	2%	0.022	22%	0.216	C	C	.	.	H	α-helix	trans	-56.3	-46.3	176.1	167.4	-106.9	0	0	0	112.5	L622 Q650 F651 D657 I658 I712 L720 L867 A868 A871	L622-F654 HydrophobicContact CD2-CE1 4.47Å; Q650-F654 WeakPolarHBondContact O-CB 3.34Å; Q650-F654 PolarHBondContact O-N 3.21Å; F651-F654 PolarHBondContact O-N 3.23Å; F654-D657 PolarHBondContact O-N 3.3Å; F654-I658 HydrophobicContact CD1-CD1 4.48Å; F654-I658 HydrophobicContact CD2-CD1 4.08Å; F654-I658 HydrophobicContact CE1-CD1 3.95Å; F654-I658 HydrophobicContact CE2-CD1 3.43Å; F654-I658 VanDerWaalsContact CE2-CD1 3.43Å; F654-I658 HydrophobicContact CE2-CG1 4.29Å; F654-I658 HydrophobicContact CZ-CD1 3.35Å; F654-I658 PolarHBondContact O-N 3.2Å; F654-I658 VanDerWaalsContact O-N 3.08Å; F654-I712 HydrophobicContact CE2-CG2 4.47Å; F654-L720 HydrophobicContact CZ-CD1 4.31Å; F654-L867 HydrophobicContact CD2-CB 3.78Å; F654-L867 WeakPolarHBondContact CD2-O 3.29Å; F654-L867 HydrophobicContact CE2-CB 3.71Å; F654-L867 HydrophobicContact CE2-CD2 3.82Å; F654-L867 HydrophobicContact CE2-CG 4.28Å; F654-L867 HydrophobicContact CG-CB 4.34Å; F654-L867 HydrophobicContact CZ-CB 4.23Å; F654-L867 HydrophobicContact CZ-CD1 4.41Å; F654-L867 HydrophobicContact CZ-CD2 3.92Å; F654-L867 HydrophobicContact CZ-CG 4.4Å; F654-A868 HydrophobicContact CB-CB 4.08Å; F654-A871 HydrophobicContact CD2-CB 3.72Å; F654-A871 HydrophobicContact CE2-CB 4.02Å
655	I	88.2	Confident	85.6	Confident	35 Å²	35	40.5 Å²	40.5	18%	0.179	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-46.1	175.5	-71.1	171.4	0	0	0	111	L625 F651 I652 S653 D657 I658 Y659	L625-I655 HydrophobicContact CD1-CD1 4.15Å; L625-I655 HydrophobicContact CD1-CG1 4.3Å; L625-I655 HydrophobicContact CD2-CD1 4.38Å; L625-I655 HydrophobicContact CD2-CG1 4.5Å; F651-I655 HydrophobicContact CD1-CD1 4.02Å; F651-I655 HydrophobicContact CD2-CD1 4.32Å; F651-I655 HydrophobicContact CE1-CD1 3.6Å; F651-I655 HydrophobicContact CE2-CD1 4.12Å; F651-I655 HydrophobicContact CE2-CG1 4.18Å; F651-I655 HydrophobicContact CG-CD1 4.43Å; F651-I655 HydrophobicContact CZ-CD1 3.67Å; F651-I655 VanDerWaalsContact CZ-CD1 3.45Å; F651-I655 HydrophobicContact CZ-CG1 4.36Å; F651-I655 WeakPolarHBondContact O-CG1 3.34Å; F651-I655 PolarHBondContact O-N 3.28Å; F651-I655 VanDerWaalsContact O-N 3.09Å; I652-I655 PolarHBondContact O-N 3.15Å; S653-I655 VanDerWaalsContact C-N 3.35Å; S653-I655 PolarHBondContact O-N 3.14Å; I655-D657 PolarHBondContact O-N 3.36Å; I655-I658 PolarHBondContact O-N 3.27Å; I655-Y659 HydrophobicContact CG2-CD2 3.49Å; I655-Y659 VanDerWaalsContact CG2-CD2 3.47Å; I655-Y659 HydrophobicContact CG2-CE2 3.43Å; I655-Y659 VanDerWaalsContact CG2-CE2 3.43Å; I655-Y659 WeakPolarHBondContact O-CD2 3.3Å; I655-Y659 PolarHBondContact O-N 3.21Å
656	N	89.5	Confident	86.6	Confident	68 Å²	68	34.4 Å²	34.4	36%	0.364	18%	0.181	S	C	.	.	H	α-helix	trans	-65.6	-38.9	179.5	-71.8	-22.7	0	0	0	112.3	I652 S653 Y659 T660	I652-N656 WeakPolarHBondContact O-CB 3.45Å; I652-N656 PolarHBondContact O-N 3.09Å; I652-N656 PolarHBondContact O-ND2 3.2Å; S653-N656 CarbonylContact O-C 3.6Å; S653-N656 PolarHBondContact O-N 2.99Å; S653-N656 VanDerWaalsContact O-N 3.14Å; N656-Y659 PolarHBondContact O-N 3.47Å; N656-T660 VanDerWaalsContact O-CB 3.24Å; N656-T660 WeakPolarHBondContact O-CB 3.33Å; N656-T660 PolarHBondContact O-N 3.19Å; N656-T660 PolarHBondContact O-OG1 3.05Å
657	D	88.5	Confident	87.5	Confident	38 Å²	38	36.4 Å²	36.4	20%	0.203	19%	0.188	C	C	.	.	H	α-helix	trans	-65.3	-43.3	177.8	-73.8	-34.5	0	0	0	111	S653 F654 I655 T660 C661 A871 S872 C875	S653-D657 WeakPolarHBondContact O-CB 3.29Å; S653-D657 VanDerWaalsContact O-CG 3.29Å; S653-D657 PolarHBondContact O-N 3.1Å; S653-D657 PolarHBondContact OG-OD2 2.9Å; F654-D657 PolarHBondContact O-N 3.3Å; I655-D657 PolarHBondContact O-N 3.36Å; D657-T660 PolarHBondContact O-N 3.34Å; D657-C661 WeakPolarHBondContact O-CB 3.31Å; D657-C661 PolarHBondContact O-N 3.03Å; D657-C661 VanDerWaalsContact O-N 3.11Å; D657-A871 HydrophobicContact CB-CB 4.46Å; D657-S872 VanDerWaalsContact OD2-CB 3.29Å; D657-S872 WeakPolarHBondContact OD2-CB 3.44Å; D657-C875 PolarHBondContact O-SG 2.91Å; D657-C875 VanDerWaalsContact O-SG 3.37Å
658	I	90.1	Very high	88.3	Confident	8 Å²	8	38.3 Å²	38.3	4%	0.041	20%	0.199	C	C	.	.	H	α-helix	trans	-63.6	-50.6	174.5	-73.1	178.5	0	0	0	111	F654 I655 T660 C661 F662 I709 I712 A871	F654-I658 HydrophobicContact CD1-CD1 4.48Å; F654-I658 HydrophobicContact CD2-CD1 4.08Å; F654-I658 HydrophobicContact CE1-CD1 3.95Å; F654-I658 HydrophobicContact CE2-CD1 3.43Å; F654-I658 VanDerWaalsContact CE2-CD1 3.43Å; F654-I658 HydrophobicContact CE2-CG1 4.29Å; F654-I658 HydrophobicContact CZ-CD1 3.35Å; F654-I658 PolarHBondContact O-N 3.2Å; F654-I658 VanDerWaalsContact O-N 3.08Å; I655-I658 PolarHBondContact O-N 3.27Å; I658-T660 VanDerWaalsContact C-N 3.34Å; I658-T660 PolarHBondContact O-N 3.13Å; I658-C661 WeakPolarHBondContact O-CB 3.38Å; I658-C661 PolarHBondContact O-N 3.2Å; I658-C661 VanDerWaalsContact O-N 3.12Å; I658-F662 HydrophobicContact CG2-CD1 4.36Å; I658-F662 HydrophobicContact CG2-CD2 4.22Å; I658-F662 HydrophobicContact CG2-CE1 4Å; I658-F662 HydrophobicContact CG2-CE2 3.84Å; I658-F662 HydrophobicContact CG2-CG 4.47Å; I658-F662 HydrophobicContact CG2-CZ 3.72Å; I658-F662 PolarHBondContact O-N 3.11Å; I658-I709 HydrophobicContact CD1-CD1 4.07Å; I658-I709 HydrophobicContact CG2-CD1 4.23Å; I658-I712 HydrophobicContact CD1-CD1 4.39Å; I658-I712 HydrophobicContact CG1-CD1 4.13Å; I658-A871 HydrophobicContact CG1-CB 4.42Å
659	Y	90.6	Very high	88.8	Confident	24.6667 Å²	24.6667	38.8 Å²	38.8	10%	0.097	20%	0.198	C	C	.	.	H	α-helix	trans	-69	-30.6	-178.4	-69.3	-40.6	0	0	0	113	I655 N656 C661 F662 D663 L676 Y681	I655-Y659 HydrophobicContact CG2-CD2 3.49Å; I655-Y659 VanDerWaalsContact CG2-CD2 3.47Å; I655-Y659 HydrophobicContact CG2-CE2 3.43Å; I655-Y659 VanDerWaalsContact CG2-CE2 3.43Å; I655-Y659 WeakPolarHBondContact O-CD2 3.3Å; I655-Y659 PolarHBondContact O-N 3.21Å; N656-Y659 PolarHBondContact O-N 3.47Å; Y659-C661 VanDerWaalsContact C-N 3.32Å; Y659-C661 PolarHBondContact O-N 3.43Å; Y659-F662 AromaticContact CD1-CD2 3.91Å; Y659-F662 HydrophobicContact CD1-CD2 3.91Å; Y659-F662 HydrophobicContact CD1-CE2 4.46Å; Y659-F662 HydrophobicContact CE1-CD2 4.3Å; Y659-F662 HydrophobicContact CE1-CE2 4.46Å; Y659-F662 PolarHBondContact O-N 3.07Å; Y659-D663 WeakPolarHBondContact O-CB 3.42Å; Y659-D663 PolarHBondContact O-N 3.01Å; Y659-L676 HydrophobicContact CD1-CD1 3.95Å; Y659-L676 HydrophobicContact CD2-CD1 3.76Å; Y659-L676 HydrophobicContact CD2-CD2 4.09Å; Y659-L676 HydrophobicContact CD2-CG 4.42Å; Y659-L676 HydrophobicContact CE1-CD1 3.93Å; Y659-L676 HydrophobicContact CE2-CD1 3.72Å; Y659-L676 HydrophobicContact CE2-CD2 4.41Å; Y659-L676 HydrophobicContact CE2-CG 4.41Å; Y659-L676 HydrophobicContact CG-CD1 3.88Å; Y659-Y681 AromaticContact CD1-CD2 3.65Å; Y659-Y681 HydrophobicContact CD1-CD2 3.65Å; Y659-Y681 HydrophobicContact CD1-CE2 4.16Å; Y659-Y681 HydrophobicContact CD1-CG 4.48Å; Y659-Y681 AromaticContact CE1-CD2 3.89Å; Y659-Y681 HydrophobicContact CE1-CD2 3.89Å; Y659-Y681 HydrophobicContact CE1-CG 4.43Å; Y659-Y681 HydrophobicContact CG-CD2 4.48Å
660	T	90.8	Very high	89.1	Confident	61.3333 Å²	61.3333	38.2 Å²	38.2	38%	0.376	20%	0.202	S	C	.	.	H	α-helix	trans	-64.2	-38.7	170.3	-58.1	0	0	0	0	111.1	N656 D657 I658 D663 Y664 M879	N656-T660 VanDerWaalsContact O-CB 3.24Å; N656-T660 WeakPolarHBondContact O-CB 3.33Å; N656-T660 PolarHBondContact O-N 3.19Å; N656-T660 PolarHBondContact O-OG1 3.05Å; D657-T660 PolarHBondContact O-N 3.34Å; I658-T660 VanDerWaalsContact C-N 3.34Å; I658-T660 PolarHBondContact O-N 3.13Å; T660-D663 PolarHBondContact O-N 3.09Å; T660-Y664 WeakPolarHBondContact O-CB 3.47Å; T660-Y664 PolarHBondContact O-N 3.2Å; T660-M879 HydrophobicContact CG2-SD 4.33Å
661	C	90.6	Very high	89.7	Confident	0.333333 Å²	0.333333	36.7 Å²	36.7	0%	0.002	20%	0.196	C	C	.	.	H	α-helix	trans	-68.1	-40	175.2	-161.4	0	0	0	0	112.2	D657 I658 Y659 Y664 L665 I708 C875	D657-C661 WeakPolarHBondContact O-CB 3.31Å; D657-C661 PolarHBondContact O-N 3.03Å; D657-C661 VanDerWaalsContact O-N 3.11Å; I658-C661 WeakPolarHBondContact O-CB 3.38Å; I658-C661 PolarHBondContact O-N 3.2Å; I658-C661 VanDerWaalsContact O-N 3.12Å; Y659-C661 VanDerWaalsContact C-N 3.32Å; Y659-C661 PolarHBondContact O-N 3.43Å; C661-Y664 PolarHBondContact O-N 3.03Å; C661-L665 WeakPolarHBondContact O-CG 3.34Å; C661-L665 PolarHBondContact O-N 2.99Å; C661-I708 VanDerWaalsContact SG-CD1 3.59Å; C661-C875 HydrophobicContact CB-CB 3.87Å; C661-C875 WeakPolarHBondContact CB-SG 3.36Å; C661-C875 VanDerWaalsContact SG-SG 3.63Å
662	F	92.7	Very high	90	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-39.5	173.6	-72.4	1.5	0	0	0	112.2	I658 Y659 Y664 L665 A666 Y681 M705 I709 L722	I658-F662 HydrophobicContact CG2-CD1 4.36Å; I658-F662 HydrophobicContact CG2-CD2 4.22Å; I658-F662 HydrophobicContact CG2-CE1 4Å; I658-F662 HydrophobicContact CG2-CE2 3.84Å; I658-F662 HydrophobicContact CG2-CG 4.47Å; I658-F662 HydrophobicContact CG2-CZ 3.72Å; I658-F662 PolarHBondContact O-N 3.11Å; Y659-F662 AromaticContact CD1-CD2 3.91Å; Y659-F662 HydrophobicContact CD1-CD2 3.91Å; Y659-F662 HydrophobicContact CD1-CE2 4.46Å; Y659-F662 HydrophobicContact CE1-CD2 4.3Å; Y659-F662 HydrophobicContact CE1-CE2 4.46Å; Y659-F662 PolarHBondContact O-N 3.07Å; F662-Y664 VanDerWaalsContact C-N 3.34Å; F662-Y664 PolarHBondContact O-N 2.8Å; F662-L665 PolarHBondContact O-N 3.4Å; F662-A666 VanDerWaalsContact O-CB 3.31Å; F662-A666 WeakPolarHBondContact O-CB 3.25Å; F662-A666 PolarHBondContact O-N 3.15Å; F662-Y681 HydrophobicContact CB-CE1 4.28Å; F662-Y681 HydrophobicContact CB-CE2 4.02Å; F662-Y681 HydrophobicContact CD2-CD2 4.35Å; F662-Y681 HydrophobicContact CD2-CE2 4.46Å; F662-Y681 HydrophobicContact CD2-CG 4.39Å; F662-M705 HydrophobicContact CB-CE 3.95Å; F662-M705 HydrophobicContact CD1-CB 4.45Å; F662-M705 HydrophobicContact CD1-CG 3.92Å; F662-M705 HydrophobicContact CD2-CE 4.21Å; F662-M705 HydrophobicContact CE1-CB 4.04Å; F662-M705 HydrophobicContact CE1-CG 3.98Å; F662-M705 HydrophobicContact CG-CE 4.01Å; F662-M705 HydrophobicContact CG-CG 4.26Å; F662-M705 HydrophobicContact CZ-CB 4.3Å; F662-M705 HydrophobicContact CZ-CG 4.39Å; F662-I709 HydrophobicContact CE1-CD1 4.29Å; F662-I709 HydrophobicContact CE1-CG1 4.2Å; F662-I709 HydrophobicContact CZ-CD1 3.93Å; F662-I709 HydrophobicContact CZ-CG1 3.86Å; F662-L722 HydrophobicContact CE2-CD1 4.22Å; F662-L722 HydrophobicContact CZ-CD1 4.19Å; F662-L722 HydrophobicContact CZ-CD2 4.11Å
663	D	91.9	Very high	90.3	Very high	34.3333 Å²	34.3333	38.8 Å²	38.8	18%	0.184	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-38	174.8	-71.6	0.1	0	0	0	111.6	Y659 T660 A666 Q667 R673 Y681	Y659-D663 WeakPolarHBondContact O-CB 3.42Å; Y659-D663 PolarHBondContact O-N 3.01Å; T660-D663 PolarHBondContact O-N 3.09Å; D663-A666 PolarHBondContact O-N 3.07Å; D663-Q667 VanDerWaalsContact O-CG 3.3Å; D663-Q667 WeakPolarHBondContact O-CG 3.36Å; D663-Q667 PolarHBondContact O-N 3.28Å; D663-R673 VanDerWaalsContact OD1-CD 3.3Å; D663-R673 WeakPolarHBondContact OD1-CD 3.33Å; D663-R673 IonicContact OD1-CZ 3.67Å; D663-R673 IonicContact OD1-NH1 3.92Å; D663-R673 PolarHBondContact OD1-NH1 2.63Å; D663-R673 IonicContact OD2-CZ 3.09Å; D663-R673 IonicContact OD2-NH1 3.3Å; D663-R673 PolarHBondContact OD2-NH1 3.01Å; D663-Y681 PolarHBondContact N-OH 2.99Å; D663-Y681 VanDerWaalsContact OD1-CE2 3.24Å; D663-Y681 WeakPolarHBondContact OD1-CE2 3.33Å; D663-Y681 PolarHBondContact OD1-OH 3.19Å
664	Y	91.9	Very high	90.5	Very high	27.6667 Å²	27.6667	37.6 Å²	37.6	11%	0.108	19%	0.19	C	C	.	.	H	α-helix	trans	-66.1	-43.7	172.9	-177.9	-106.1	0	0	0	112.3	T660 C661 F662 A666 Q667 N668 V878 M879 N882 N883	T660-Y664 WeakPolarHBondContact O-CB 3.47Å; T660-Y664 PolarHBondContact O-N 3.2Å; C661-Y664 PolarHBondContact O-N 3.03Å; F662-Y664 VanDerWaalsContact C-N 3.34Å; F662-Y664 PolarHBondContact O-N 2.8Å; Y664-A666 VanDerWaalsContact C-N 3.34Å; Y664-Q667 PolarHBondContact O-N 3.12Å; Y664-N668 WeakPolarHBondContact CD1-ND2 3.43Å; Y664-N668 WeakPolarHBondContact CE1-ND2 3.32Å; Y664-N668 VanDerWaalsContact O-CG 3.26Å; Y664-N668 PolarHBondContact O-N 3.11Å; Y664-N668 VanDerWaalsContact O-N 3.08Å; Y664-N668 PolarHBondContact O-ND2 3.42Å; Y664-N668 VanDerWaalsContact O-ND2 3.14Å; Y664-V878 HydrophobicContact CD1-CG1 4.38Å; Y664-V878 HydrophobicContact CE1-CG1 4.45Å; Y664-M879 HydrophobicContact CD1-CG 3.9Å; Y664-M879 HydrophobicContact CD2-CG 4.29Å; Y664-M879 HydrophobicContact CE1-CB 4.45Å; Y664-M879 HydrophobicContact CE1-CG 4.25Å; Y664-M879 HydrophobicContact CG-CG 3.92Å; Y664-M879 PolarHBondContact OH-O 3.25Å; Y664-N882 HydrophobicContact CE1-CB 4.35Å; Y664-N882 WeakPolarHBondContact OH-CB 3.44Å; Y664-N883 PolarHBondContact OH-OD1 3.26Å; Y664-N883 VanDerWaalsContact OH-OD1 3.08Å
665	L	92.7	Very high	90.5	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.052	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-43.3	172.4	-74.4	-174.5	0	0	0	111.9	C661 F662 Q667 N668 E669 L701 N704 M705 I708	C661-L665 WeakPolarHBondContact O-CG 3.34Å; C661-L665 PolarHBondContact O-N 2.99Å; F662-L665 PolarHBondContact O-N 3.4Å; L665-Q667 VanDerWaalsContact C-N 3.33Å; L665-Q667 PolarHBondContact O-N 3.04Å; L665-N668 PolarHBondContact O-N 3.05Å; L665-E669 WeakPolarHBondContact O-CG 3.34Å; L665-E669 PolarHBondContact O-N 3.14Å; L665-L701 HydrophobicContact CB-CD1 3.57Å; L665-N704 HydrophobicContact CD1-CB 3.86Å; L665-N704 HydrophobicContact CD2-CB 4.18Å; L665-M705 HydrophobicContact CD1-CG 4.08Å; L665-I708 HydrophobicContact CD1-CD1 3.67Å; L665-I708 HydrophobicContact CD2-CD1 4.21Å; L665-I708 HydrophobicContact CG-CD1 4.08Å
666	A	92.4	Very high	90.4	Very high	2.33333 Å²	2.33333	42.4 Å²	42.4	2%	0.019	21%	0.211	C	C	.	.	H	α-helix	trans	-61.7	-42.1	179.2	0	0	0	0	0	111.2	F662 D663 Y664 E669 S670 C671 L701	F662-A666 VanDerWaalsContact O-CB 3.31Å; F662-A666 WeakPolarHBondContact O-CB 3.25Å; F662-A666 PolarHBondContact O-N 3.15Å; D663-A666 PolarHBondContact O-N 3.07Å; Y664-A666 VanDerWaalsContact C-N 3.34Å; A666-E669 CarbonylContact O-C 3.46Å; A666-E669 PolarHBondContact O-N 2.91Å; A666-S670 CarbonylContact O-C 3.47Å; A666-S670 WeakPolarHBondContact O-CA 3.44Å; A666-S670 PolarHBondContact O-N 3.08Å; A666-S670 VanDerWaalsContact O-N 3.13Å; A666-C671 CarbonylContact C-O 3.58Å; A666-C671 HydrophobicContact CB-CB 4.27Å; A666-C671 PolarHBondContact O-N 2.98Å; A666-C671 VanDerWaalsContact O-O 3.13Å; A666-L701 HydrophobicContact CB-CD1 4.43Å; A666-L701 HydrophobicContact CB-CD2 4.22Å
667	Q	89.7	Confident	89.9	Confident	128.667 Å²	128.667	42.3 Å²	42.3	60%	0.601	21%	0.21	S	C	*	.	H	α-helix	trans	-60.9	-45.9	173.3	-72.8	170.1	22.7	0	0	112.3	D663 Y664 L665 E669 S670	D663-Q667 VanDerWaalsContact O-CG 3.3Å; D663-Q667 WeakPolarHBondContact O-CG 3.36Å; D663-Q667 PolarHBondContact O-N 3.28Å; Y664-Q667 PolarHBondContact O-N 3.12Å; L665-Q667 VanDerWaalsContact C-N 3.33Å; L665-Q667 PolarHBondContact O-N 3.04Å; Q667-E669 VanDerWaalsContact C-N 3.33Å; Q667-E669 PolarHBondContact O-N 3.16Å; Q667-S670 WeakPolarHBondContact O-CA 3.21Å; Q667-S670 PolarHBondContact O-N 3.09Å; Q667-S670 VanDerWaalsContact O-N 3.13Å
668	N	90.5	Very high	89.1	Confident	68.6667 Å²	68.6667	44.1 Å²	44.1	37%	0.367	23%	0.231	S	C	.	.	H	α-helix	trans	-61.2	-42.6	177.7	-66.9	-31.1	0	0	0	112.2	Y664 L665 S670 N882	Y664-N668 WeakPolarHBondContact CD1-ND2 3.43Å; Y664-N668 WeakPolarHBondContact CE1-ND2 3.32Å; Y664-N668 VanDerWaalsContact O-CG 3.26Å; Y664-N668 PolarHBondContact O-N 3.11Å; Y664-N668 VanDerWaalsContact O-N 3.08Å; Y664-N668 PolarHBondContact O-ND2 3.42Å; Y664-N668 VanDerWaalsContact O-ND2 3.14Å; L665-N668 PolarHBondContact O-N 3.05Å; N668-S670 VanDerWaalsContact C-N 3.26Å; N668-S670 PolarHBondContact O-N 3.11Å; N668-N882 PolarHBondContact ND2-ND2 3.12Å
669	E	90.1	Very high	88.6	Confident	46 Å²	46	46.9 Å²	46.9	22%	0.215	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	13.6	178.3	-60	-68.7	173.5	0	0	113.1	L665 A666 Q667 C671 S697 L701 N704	L665-E669 WeakPolarHBondContact O-CG 3.34Å; L665-E669 PolarHBondContact O-N 3.14Å; A666-E669 CarbonylContact O-C 3.46Å; A666-E669 PolarHBondContact O-N 2.91Å; Q667-E669 VanDerWaalsContact C-N 3.33Å; Q667-E669 PolarHBondContact O-N 3.16Å; E669-C671 PolarHBondContact O-N 3.13Å; E669-C671 VanDerWaalsContact O-N 3.07Å; E669-C671 PolarHBondContact O-SG 3.12Å; E669-S697 WeakPolarHBondContact O-CB 3.41Å; E669-S697 PolarHBondContact O-OG 2.9Å; E669-L701 HydrophobicContact CB-CB 4.02Å; E669-L701 HydrophobicContact CB-CD1 4.42Å; E669-L701 HydrophobicContact CG-CB 3.97Å; E669-L701 HydrophobicContact CG-CD1 4.23Å; E669-N704 PolarHBondContact OE1-ND2 3.27Å
670	S	89.2	Confident	88.5	Confident	62.6667 Å²	62.6667	46.5 Å²	46.5	44%	0.438	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	27.4	-179.8	-54.9	0	0	0	0	115	A666 Q667 N668 R691	A666-S670 CarbonylContact O-C 3.47Å; A666-S670 WeakPolarHBondContact O-CA 3.44Å; A666-S670 PolarHBondContact O-N 3.08Å; A666-S670 VanDerWaalsContact O-N 3.13Å; Q667-S670 WeakPolarHBondContact O-CA 3.21Å; Q667-S670 PolarHBondContact O-N 3.09Å; Q667-S670 VanDerWaalsContact O-N 3.13Å; N668-S670 VanDerWaalsContact C-N 3.26Å; N668-S670 PolarHBondContact O-N 3.11Å; S670-R691 VanDerWaalsContact C-NH1 3.32Å; S670-R691 VanDerWaalsContact CB-NH1 3.27Å; S670-R691 PolarHBondContact O-NH1 3.37Å; S670-R691 PolarHBondContact O-NH2 3.32Å; S670-R691 PolarHBondContact OG-NH1 2.69Å
671	C	91.7	Very high	88.5	Confident	9 Å²	9	43.6 Å²	43.6	6%	0.061	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-95.1	141.6	177.4	-65.7	0	0	0	0	111	A666 E669 S697 L701	A666-C671 CarbonylContact C-O 3.58Å; A666-C671 HydrophobicContact CB-CB 4.27Å; A666-C671 PolarHBondContact O-N 2.98Å; A666-C671 VanDerWaalsContact O-O 3.13Å; E669-C671 PolarHBondContact O-N 3.13Å; E669-C671 VanDerWaalsContact O-N 3.07Å; E669-C671 PolarHBondContact O-SG 3.12Å; C671-S697 PolarHBondContact SG-OG 3Å; C671-S697 VanDerWaalsContact SG-OG 3.37Å; C671-L701 HydrophobicContact CB-CD2 3.65Å
672	Y	91.4	Very high	88.7	Confident	53 Å²	53	43.6 Å²	43.6	21%	0.208	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.2	178.8	-174.4	-96.2	0	0	0	111.6	P586 V674 C683 I684 F743	P586-Y672 HydrophobicContact CB-CE2 4.26Å; P586-Y672 WeakPolarHBondContact CD-OH 3.32Å; P586-Y672 HydrophobicContact CG-CD1 4.47Å; P586-Y672 HydrophobicContact CG-CE1 3.78Å; P586-Y672 HydrophobicContact CG-CE2 4.24Å; Y672-V674 HydrophobicContact CD1-CG2 4.16Å; Y672-V674 PolarHBondContact O-N 3.17Å; Y672-C683 CarbonylContact O-C 3.56Å; Y672-C683 VanDerWaalsContact O-CA 3.31Å; Y672-C683 WeakPolarHBondContact O-CA 3.4Å; Y672-I684 HydrophobicContact CD1-CG2 4.26Å; Y672-I684 PolarHBondContact N-O 3.39Å; Y672-I684 PolarHBondContact O-N 3.11Å; Y672-F743 HydrophobicContact CD1-CE1 4.46Å; Y672-F743 HydrophobicContact CE1-CD1 4.06Å; Y672-F743 HydrophobicContact CE1-CE1 4.12Å
673	R	91.9	Very high	88.8	Confident	85.6667 Å²	85.6667	43.4 Å²	43.4	32%	0.323	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	116.6	172.9	-174.6	-161.5	69.2	-168.6	1.1	110.5	D663 Y681 C683	D663-R673 VanDerWaalsContact OD1-CD 3.3Å; D663-R673 WeakPolarHBondContact OD1-CD 3.33Å; D663-R673 IonicContact OD1-CZ 3.67Å; D663-R673 IonicContact OD1-NH1 3.92Å; D663-R673 PolarHBondContact OD1-NH1 2.63Å; D663-R673 IonicContact OD2-CZ 3.09Å; D663-R673 IonicContact OD2-NH1 3.3Å; D663-R673 PolarHBondContact OD2-NH1 3.01Å; R673-Y681 HydrophobicContact CG-CE1 4.42Å; R673-Y681 HydrophobicContact CG-CE2 3.97Å; R673-C683 VanDerWaalsContact CA-SG 3.6Å
674	V	89.6	Confident	88.9	Confident	17 Å²	17	41.8 Å²	41.8	10%	0.103	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-58.5	-179.3	-179.9	0	0	0	0	111.3	Y672 L682 I684 F743 L745	Y672-V674 HydrophobicContact CD1-CG2 4.16Å; Y672-V674 PolarHBondContact O-N 3.17Å; V674-L682 HydrophobicContact CB-CD2 4.42Å; V674-L682 HydrophobicContact CB-CG 4.44Å; V674-L682 HydrophobicContact CG1-CD2 4.35Å; V674-L682 PolarHBondContact N-O 3.35Å; V674-I684 HydrophobicContact CG2-CB 3.95Å; V674-I684 HydrophobicContact CG2-CG2 3.5Å; V674-I684 VanDerWaalsContact CG2-CG2 3.47Å; V674-F743 HydrophobicContact CG1-CD1 4.02Å; V674-F743 HydrophobicContact CG1-CE1 4.02Å; V674-F743 HydrophobicContact CG2-CE1 4.22Å; V674-L745 HydrophobicContact CB-CD1 4.37Å; V674-L745 HydrophobicContact CG1-CB 4.41Å; V674-L745 HydrophobicContact CG1-CD1 4.1Å; V674-L745 HydrophobicContact CG1-CG 3.88Å; V674-L745 HydrophobicContact CG2-CD1 3.77Å; V674-L745 HydrophobicContact CG2-CG 4.28Å
675	R	86.2	Confident	89	Confident	63 Å²	63	40.5 Å²	40.5	24%	0.238	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135	-168.7	-162.2	-161.5	-67.5	155	-13.7	110.4	N677 E680 L682 D744	R675-N677 VanDerWaalsContact CD-ND2 3.3Å; R675-N677 WeakPolarHBondContact CD-ND2 3.33Å; R675-N677 WeakPolarHBondContact CD-OD1 3.47Å; R675-E680 IonicContact NH1-OE2 3.21Å; R675-L682 HydrophobicContact CB-CB 4.07Å; R675-L682 HydrophobicContact CB-CD2 4.13Å; R675-L682 PolarHBondContact N-O 3.16Å; R675-L682 PolarHBondContact O-N 3.18Å; R675-D744 IonicContact CZ-OD1 3.05Å; R675-D744 IonicContact CZ-OD2 3.49Å; R675-D744 IonicContact NE-OD1 2.8Å; R675-D744 PolarHBondContact NE-OD1 3.19Å; R675-D744 IonicContact NE-OD2 2.76Å; R675-D744 PolarHBondContact NE-OD2 3.06Å; R675-D744 IonicContact NH2-OD1 2.87Å; R675-D744 PolarHBondContact NH2-OD1 3.03Å; R675-D744 IonicContact NH2-OD2 3.62Å; R675-D744 PolarHBondContact NH2-OD2 3.22Å
676	L	85.5	Confident	88.8	Confident	78.6667 Å²	78.6667	40.3 Å²	40.3	41%	0.412	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	103.1	171.8	-172.7	68.2	0	0	0	109.4	Y659 Y681	Y659-L676 HydrophobicContact CD1-CD1 3.95Å; Y659-L676 HydrophobicContact CD2-CD1 3.76Å; Y659-L676 HydrophobicContact CD2-CD2 4.09Å; Y659-L676 HydrophobicContact CD2-CG 4.42Å; Y659-L676 HydrophobicContact CE1-CD1 3.93Å; Y659-L676 HydrophobicContact CE2-CD1 3.72Å; Y659-L676 HydrophobicContact CE2-CD2 4.41Å; Y659-L676 HydrophobicContact CE2-CG 4.41Å; Y659-L676 HydrophobicContact CG-CD1 3.88Å; L676-Y681 HydrophobicContact CD1-CD2 3.63Å; L676-Y681 HydrophobicContact CD1-CE2 4.28Å
677	N	80.4	Confident	88.7	Confident	64.6667 Å²	64.6667	41.3 Å²	41.3	35%	0.346	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	157.7	170.4	-69.2	-29.8	0	0	0	109.4	R675 N679 E680	R675-N677 VanDerWaalsContact CD-ND2 3.3Å; R675-N677 WeakPolarHBondContact CD-ND2 3.33Å; R675-N677 WeakPolarHBondContact CD-OD1 3.47Å; N677-N679 PolarHBondContact O-N 3.36Å; N677-N679 VanDerWaalsContact O-N 3.07Å; N677-E680 HydrophobicContact CB-CB 4.02Å; N677-E680 WeakPolarHBondContact CB-O 3.37Å; N677-E680 PolarHBondContact N-O 3.15Å; N677-E680 PolarHBondContact ND2-OE2 3.25Å; N677-E680 VanDerWaalsContact ND2-OE2 3.14Å; N677-E680 PolarHBondContact O-N 3.32Å; N677-E680 VanDerWaalsContact O-N 3.17Å
678	A	72.2	Confident	88.4	Confident	76.6667 Å²	76.6667	37.6 Å²	37.6	63%	0.634	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.6	177.2	0	0	0	0	0	114
679	N	78	Confident	88.2	Confident	66.6667 Å²	66.6667	40.6 Å²	40.6	36%	0.357	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	8.4	-178.7	-58.7	32.1	0	0	0	113	E621 N677 K757	E621-N679 VanDerWaalsContact CB-O 3.26Å; E621-N679 WeakPolarHBondContact CB-O 3.42Å; E621-N679 VanDerWaalsContact CG-O 3.24Å; E621-N679 WeakPolarHBondContact CG-O 3.33Å; N677-N679 PolarHBondContact O-N 3.36Å; N677-N679 VanDerWaalsContact O-N 3.07Å; N679-K757 PolarHBondContact O-NZ 3.13Å
680	E	88.1	Confident	88	Confident	15.3333 Å²	15.3333	44.6 Å²	44.6	7%	0.072	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	124.2	-175.6	-180	-177.7	-138.5	0	0	112.3	S619 A620 R675 N677 L682 S754	S619-E680 WeakPolarHBondContact OG-CG 3.31Å; S619-E680 PolarHBondContact OG-OE1 3.09Å; A620-E680 CarbonylContact O-C 3.59Å; A620-E680 WeakPolarHBondContact O-CA 3.3Å; R675-E680 IonicContact NH1-OE2 3.21Å; N677-E680 HydrophobicContact CB-CB 4.02Å; N677-E680 WeakPolarHBondContact CB-O 3.37Å; N677-E680 PolarHBondContact N-O 3.15Å; N677-E680 PolarHBondContact ND2-OE2 3.25Å; N677-E680 VanDerWaalsContact ND2-OE2 3.14Å; N677-E680 PolarHBondContact O-N 3.32Å; N677-E680 VanDerWaalsContact O-N 3.17Å; E680-L682 HydrophobicContact CG-CB 4.47Å; E680-S754 VanDerWaalsContact OE1-CB 3.25Å; E680-S754 WeakPolarHBondContact OE1-CB 3.38Å; E680-S754 PolarHBondContact OE1-OG 3.19Å
681	Y	92.8	Very high	88	Confident	1.33333 Å²	1.33333	45.2 Å²	45.2	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	113.8	168.1	-172.6	-89.7	0	0	0	108.6	S619 A620 Y659 F662 D663 R673 L676 C683 M705	S619-Y681 WeakPolarHBondContact CA-O 3.38Å; A620-Y681 PolarHBondContact N-O 3.08Å; A620-Y681 PolarHBondContact O-N 3.27Å; Y659-Y681 AromaticContact CD1-CD2 3.65Å; Y659-Y681 HydrophobicContact CD1-CD2 3.65Å; Y659-Y681 HydrophobicContact CD1-CE2 4.16Å; Y659-Y681 HydrophobicContact CD1-CG 4.48Å; Y659-Y681 AromaticContact CE1-CD2 3.89Å; Y659-Y681 HydrophobicContact CE1-CD2 3.89Å; Y659-Y681 HydrophobicContact CE1-CG 4.43Å; Y659-Y681 HydrophobicContact CG-CD2 4.48Å; F662-Y681 HydrophobicContact CB-CE1 4.28Å; F662-Y681 HydrophobicContact CB-CE2 4.02Å; F662-Y681 HydrophobicContact CD2-CD2 4.35Å; F662-Y681 HydrophobicContact CD2-CE2 4.46Å; F662-Y681 HydrophobicContact CD2-CG 4.39Å; D663-Y681 PolarHBondContact N-OH 2.99Å; D663-Y681 VanDerWaalsContact OD1-CE2 3.24Å; D663-Y681 WeakPolarHBondContact OD1-CE2 3.33Å; D663-Y681 PolarHBondContact OD1-OH 3.19Å; R673-Y681 HydrophobicContact CG-CE1 4.42Å; R673-Y681 HydrophobicContact CG-CE2 3.97Å; L676-Y681 HydrophobicContact CD1-CD2 3.63Å; L676-Y681 HydrophobicContact CD1-CE2 4.28Å; Y681-C683 WeakPolarHBondContact CE1-SG 3.39Å; Y681-M705 HydrophobicContact CD1-CE 3.88Å; Y681-M705 HydrophobicContact CE1-CE 3.48Å; Y681-M705 VanDerWaalsContact CE1-CE 3.47Å
682	L	94.3	Very high	87.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.3	-176.1	-176.9	68.7	0	0	0	111.2	L618 V674 R675 E680 V750	L618-L682 WeakPolarHBondContact O-CA 3.29Å; V674-L682 HydrophobicContact CB-CD2 4.42Å; V674-L682 HydrophobicContact CB-CG 4.44Å; V674-L682 HydrophobicContact CG1-CD2 4.35Å; V674-L682 PolarHBondContact N-O 3.35Å; R675-L682 HydrophobicContact CB-CB 4.07Å; R675-L682 HydrophobicContact CB-CD2 4.13Å; R675-L682 PolarHBondContact N-O 3.16Å; R675-L682 PolarHBondContact O-N 3.18Å; E680-L682 HydrophobicContact CG-CB 4.47Å; L682-V750 HydrophobicContact CD2-CG1 4.44Å
683	C	94	Very high	87.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	156.3	174.8	-88.3	0	0	0	0	112.4	F617 L618 Y672 R673 Y681	F617-C683 WeakPolarHBondContact CA-O 3.42Å; L618-C683 HydrophobicContact CB-CB 4.29Å; L618-C683 HydrophobicContact CD2-CB 4.41Å; L618-C683 PolarHBondContact N-O 3.13Å; L618-C683 PolarHBondContact O-N 3.13Å; Y672-C683 CarbonylContact O-C 3.56Å; Y672-C683 VanDerWaalsContact O-CA 3.31Å; Y672-C683 WeakPolarHBondContact O-CA 3.4Å; R673-C683 VanDerWaalsContact CA-SG 3.6Å; Y681-C683 WeakPolarHBondContact CE1-SG 3.39Å
684	I	94.4	Very high	88	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.4	169.8	-168.9	171	0	0	0	110.6	L612 V615 T616 F617 Y672 V674 L745	L612-I684 HydrophobicContact CD1-CD1 3.49Å; L612-I684 VanDerWaalsContact CD1-CD1 3.48Å; V615-I684 HydrophobicContact CB-CD1 3.97Å; V615-I684 HydrophobicContact CB-CG1 4.16Å; V615-I684 HydrophobicContact CG1-CD1 4.22Å; V615-I684 HydrophobicContact CG2-CD1 4.1Å; T616-I684 CarbonylContact O-C 3.45Å; T616-I684 VanDerWaalsContact O-CA 3.24Å; T616-I684 WeakPolarHBondContact O-CA 3.46Å; T616-I684 WeakPolarHBondContact O-CG1 3.39Å; F617-I684 HydrophobicContact CD1-CD1 4.1Å; F617-I684 HydrophobicContact CD1-CG1 4.06Å; F617-I684 HydrophobicContact CE1-CD1 3.82Å; F617-I684 HydrophobicContact CE1-CG1 4.24Å; Y672-I684 HydrophobicContact CD1-CG2 4.26Å; Y672-I684 PolarHBondContact N-O 3.39Å; Y672-I684 PolarHBondContact O-N 3.11Å; V674-I684 HydrophobicContact CG2-CB 3.95Å; V674-I684 HydrophobicContact CG2-CG2 3.5Å; V674-I684 VanDerWaalsContact CG2-CG2 3.47Å; I684-L745 HydrophobicContact CB-CD1 4.21Å; I684-L745 HydrophobicContact CD1-CD1 3.94Å; I684-L745 HydrophobicContact CD1-CD2 4.08Å; I684-L745 HydrophobicContact CG1-CD1 4.49Å
685	A	94	Very high	88.2	Confident	1.66667 Å²	1.66667	47.9 Å²	47.9	1%	0.014	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	155.8	161.6	0	0	0	0	0	111.1	T616 Y687 H694 C698	T616-A685 PolarHBondContact N-O 3.07Å; T616-A685 VanDerWaalsContact N-O 3.11Å; T616-A685 PolarHBondContact O-N 2.84Å; T616-A685 WeakPolarHBondContact OG1-CB 3.36Å; T616-A685 PolarHBondContact OG1-O 3.17Å; A685-Y687 VanDerWaalsContact C-N 3.33Å; A685-H694 HydrophobicContact CB-CB 4.05Å; A685-C698 WeakPolarHBondContact CB-SG 3.36Å
686	G	89	Confident	88.6	Confident	6.33333 Å²	6.33333	49.9 Å²	49.9	7%	0.065	27%	0.272	C	S	.	.	S	Bend	trans	84.6	8.5	-164.7	0	0	0	0	0	113.9	E689 T690	G686-E689 CarbonylContact C-O 3.56Å; G686-E689 VanDerWaalsContact CA-O 3.27Å; G686-E689 WeakPolarHBondContact CA-O 3.39Å; G686-T690 WeakPolarHBondContact O-CA 3.43Å
687	Y	89.8	Confident	88.9	Confident	22.3333 Å²	22.3333	46.6 Å²	46.6	9%	0.088	26%	0.255	C	S	.	.	S	Bend	trans	-152.7	140.6	170.6	-175.5	-97	0	0	0	109.2	P586 L589 I610 L612 A685 E689 F743	P586-Y687 HydrophobicContact CB-CE1 4.45Å; P586-Y687 HydrophobicContact CG-CE1 4.02Å; L589-Y687 VanDerWaalsContact CD1-OH 3.24Å; L589-Y687 WeakPolarHBondContact CD1-OH 3.11Å; L589-Y687 WeakPolarHBondContact CG-OH 3.49Å; I610-Y687 WeakPolarHBondContact CD1-OH 3.33Å; I610-Y687 HydrophobicContact CG2-CE2 4.5Å; L612-Y687 HydrophobicContact CD1-CD1 4.26Å; L612-Y687 HydrophobicContact CD1-CD2 4.1Å; L612-Y687 HydrophobicContact CD1-CG 3.83Å; L612-Y687 HydrophobicContact CD2-CD2 3.37Å; L612-Y687 HydrophobicContact CD2-CE2 3.81Å; L612-Y687 HydrophobicContact CD2-CG 3.97Å; L612-Y687 HydrophobicContact CG-CD2 4.41Å; A685-Y687 VanDerWaalsContact C-N 3.33Å; Y687-E689 VanDerWaalsContact C-N 3.34Å; Y687-E689 PolarHBondContact N-O 3.27Å; Y687-F743 AromaticContact CD1-CZ 3.94Å; Y687-F743 HydrophobicContact CD1-CZ 4.02Å; Y687-F743 HydrophobicContact CE1-CE1 4.33Å; Y687-F743 AromaticContact CE1-CE2 3.85Å; Y687-F743 HydrophobicContact CE1-CE2 3.85Å; Y687-F743 AromaticContact CE1-CZ 3.42Å; Y687-F743 HydrophobicContact CE1-CZ 3.42Å; Y687-F743 VanDerWaalsContact CE1-CZ 3.45Å
688	P	83.1	Confident	89.5	Confident	51.3333 Å²	51.3333	43.5 Å²	43.5	33%	0.333	24%	0.239	S	C	.	.	S	Bend	cis	-66.9	-30.6	2.2	27.2	-35	0	0	0	114.2	P586 P588	P586-P688 HydrophobicContact CB-CB 4.48Å; P588-P688 HydrophobicContact CG-CB 3.92Å
689	E	85.6	Confident	90.6	Very high	131.333 Å²	131.333	39.9 Å²	39.9	61%	0.614	21%	0.208	S	C	*	.	S	Bend	trans	-86.1	123.6	176.2	-68.3	175.2	-171.6	0	0	111.5	G686 Y687 R691	G686-E689 CarbonylContact C-O 3.56Å; G686-E689 VanDerWaalsContact CA-O 3.27Å; G686-E689 WeakPolarHBondContact CA-O 3.39Å; Y687-E689 VanDerWaalsContact C-N 3.34Å; Y687-E689 PolarHBondContact N-O 3.27Å; E689-R691 HydrophobicContact CB-CG 4.24Å; E689-R691 PolarHBondContact O-N 2.97Å; E689-R691 IonicContact OE2-CZ 3.82Å; E689-R691 IonicContact OE2-NH1 2.73Å; E689-R691 PolarHBondContact OE2-NH1 2.96Å
690	T	87.3	Confident	91.3	Very high	130 Å²	130	37.8 Å²	37.8	80%	0.798	20%	0.197	S	C	*	.			trans	-73.8	118	173.3	55.1	0	0	0	0	110.4	G686	G686-T690 WeakPolarHBondContact O-CA 3.43Å
691	R	88.4	Confident	91.5	Very high	76 Å²	76	37 Å²	37	29%	0.287	19%	0.194	S	C	.	.			trans	-132.7	154.5	-178.1	-29	177.2	68.4	136.6	-6.1	111	S670 E689 D693 H694 S697	S670-R691 VanDerWaalsContact C-NH1 3.32Å; S670-R691 VanDerWaalsContact CB-NH1 3.27Å; S670-R691 PolarHBondContact O-NH1 3.37Å; S670-R691 PolarHBondContact O-NH2 3.32Å; S670-R691 PolarHBondContact OG-NH1 2.69Å; E689-R691 HydrophobicContact CB-CG 4.24Å; E689-R691 PolarHBondContact O-N 2.97Å; E689-R691 IonicContact OE2-CZ 3.82Å; E689-R691 IonicContact OE2-NH1 2.73Å; E689-R691 PolarHBondContact OE2-NH1 2.96Å; R691-D693 VanDerWaalsContact CB-OD1 3.25Å; R691-D693 WeakPolarHBondContact CB-OD1 3.3Å; R691-D693 WeakPolarHBondContact CD-OD1 3.4Å; R691-D693 WeakPolarHBondContact CG-OD1 3.32Å; R691-D693 IonicContact CZ-OD1 2.83Å; R691-D693 IonicContact CZ-OD2 3.16Å; R691-D693 IonicContact NE-OD1 2.99Å; R691-D693 PolarHBondContact NE-OD1 3.14Å; R691-D693 IonicContact NE-OD2 2.8Å; R691-D693 IonicContact NH2-OD1 3.57Å; R691-D693 IonicContact NH2-OD2 3.63Å; R691-D693 PolarHBondContact NH2-OD2 3.41Å; R691-H694 HydrophobicContact CG-CB 3.81Å; R691-H694 PolarHBondContact O-CD2 3.17Å; R691-S697 PolarHBondContact NH1-OG 3.12Å
692	V	90.4	Very high	91.6	Very high	142 Å²	142	37 Å²	37	86%	0.861	19%	0.193	S	C	*	.	S	Bend	trans	-87.8	-23.4	-176.2	-135.4	0	0	0	0	112.8	H694	V692-H694 VanDerWaalsContact C-N 3.27Å; V692-H694 PolarHBondContact O-CD2 3.38Å; V692-H694 PolarHBondContact O-N 3.1Å
693	D	91.6	Very high	91.5	Very high	74.6667 Å²	74.6667	38.1 Å²	38.1	40%	0.399	20%	0.2	S	C	.	.	S	Bend	trans	-86.7	5.3	178.7	60.2	-26	0	0	0	113.6	R691 A695 R696 S697	R691-D693 VanDerWaalsContact CB-OD1 3.25Å; R691-D693 WeakPolarHBondContact CB-OD1 3.3Å; R691-D693 WeakPolarHBondContact CD-OD1 3.4Å; R691-D693 WeakPolarHBondContact CG-OD1 3.32Å; R691-D693 IonicContact CZ-OD1 2.83Å; R691-D693 IonicContact CZ-OD2 3.16Å; R691-D693 IonicContact NE-OD1 2.99Å; R691-D693 PolarHBondContact NE-OD1 3.14Å; R691-D693 IonicContact NE-OD2 2.8Å; R691-D693 IonicContact NH2-OD1 3.57Å; R691-D693 IonicContact NH2-OD2 3.63Å; R691-D693 PolarHBondContact NH2-OD2 3.41Å; D693-A695 VanDerWaalsContact C-N 3.26Å; D693-A695 PolarHBondContact O-N 3.01Å; D693-A695 VanDerWaalsContact O-N 3.17Å; D693-R696 WeakPolarHBondContact O-CA 3.35Å; D693-R696 WeakPolarHBondContact O-CB 3.41Å; D693-R696 PolarHBondContact O-N 3.35Å; D693-S697 PolarHBondContact O-N 3.12Å; D693-S697 PolarHBondContact O-OG 3.34Å
694	H	93.9	Very high	91.4	Very high	3.66667 Å²	3.66667	40.8 Å²	40.8	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-51.6	-35.3	-176	69.4	102	0	0	0	114.3	N614 T616 A685 R691 V692 C698 Q775	N614-H694 PolarHBondContact ND2-CE1 3.45Å; N614-H694 PolarHBondContact ND2-NE2 3.04Å; N614-H694 PolarHBondContact O-CE1 3.16Å; N614-H694 VanDerWaalsContact O-CE1 3.31Å; T616-H694 HydrophobicContact CG2-CB 4.47Å; T616-H694 VanDerWaalsContact CG2-ND1 3.25Å; T616-H694 WeakPolarHBondContact CG2-ND1 3.41Å; T616-H694 PolarHBondContact N-ND1 2.96Å; T616-H694 WeakPolarHBondContact OG1-CB 3.29Å; T616-H694 PolarHBondContact OG1-ND1 3.28Å; T616-H694 PolarHBondContact OG1-O 3.23Å; A685-H694 HydrophobicContact CB-CB 4.05Å; R691-H694 HydrophobicContact CG-CB 3.81Å; R691-H694 PolarHBondContact O-CD2 3.17Å; V692-H694 VanDerWaalsContact C-N 3.27Å; V692-H694 PolarHBondContact O-CD2 3.38Å; V692-H694 PolarHBondContact O-N 3.1Å; H694-C698 PolarHBondContact O-N 3.2Å; H694-Q775 PolarHBondContact CE1-OE1 2.74Å; H694-Q775 PolarHBondContact NE2-OE1 2.71Å
695	A	93.6	Very high	91.3	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-71	-37.3	176.8	0	0	0	0	0	113.1	T616 D693 I699 T728 T772 Q775 L776	T616-A695 VanDerWaalsContact CG2-CA 3.42Å; T616-A695 HydrophobicContact CG2-CB 4.07Å; D693-A695 VanDerWaalsContact C-N 3.26Å; D693-A695 PolarHBondContact O-N 3.01Å; D693-A695 VanDerWaalsContact O-N 3.17Å; A695-I699 WeakPolarHBondContact O-CG1 3.43Å; A695-I699 PolarHBondContact O-N 3.05Å; A695-T728 HydrophobicContact CB-CG2 4.21Å; A695-T772 HydrophobicContact CB-CG2 4.39Å; A695-Q775 HydrophobicContact CB-CB 3.72Å; A695-L776 HydrophobicContact CB-CD2 4.14Å
696	R	93.2	Very high	91.2	Very high	104.333 Å²	104.333	41.4 Å²	41.4	39%	0.394	22%	0.217	S	C	.	.	H	α-helix	trans	-68.8	-49.6	173.5	173.1	-179.5	171.7	-163.2	-11.6	110.6	D693 C698 I699 D700 F780 R820	D693-R696 WeakPolarHBondContact O-CA 3.35Å; D693-R696 WeakPolarHBondContact O-CB 3.41Å; D693-R696 PolarHBondContact O-N 3.35Å; R696-C698 VanDerWaalsContact C-N 3.32Å; R696-C698 PolarHBondContact O-N 3.15Å; R696-I699 WeakPolarHBondContact O-CA 3.34Å; R696-I699 PolarHBondContact O-N 3.15Å; R696-D700 VanDerWaalsContact CG-OD2 3.29Å; R696-D700 WeakPolarHBondContact CG-OD2 3.25Å; R696-D700 IonicContact CZ-OD2 2.76Å; R696-D700 IonicContact NE-OD2 3.17Å; R696-D700 PolarHBondContact NE-OD2 2.93Å; R696-D700 IonicContact NH2-OD2 3.81Å; R696-D700 PolarHBondContact NH2-OD2 2.93Å; R696-D700 PolarHBondContact O-N 3.14Å; R696-F780 HydrophobicContact CG-CE2 4.07Å; R696-F780 HydrophobicContact CG-CZ 4.11Å; R696-R820 VanDerWaalsContact NE-NH2 3.15Å
697	S	92.5	Very high	91.3	Very high	9.33333 Å²	9.33333	47.3 Å²	47.3	7%	0.065	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-41	-175.6	-56.9	0	0	0	0	112.4	E669 C671 R691 D693 I699 L701	E669-S697 WeakPolarHBondContact O-CB 3.41Å; E669-S697 PolarHBondContact O-OG 2.9Å; C671-S697 PolarHBondContact SG-OG 3Å; C671-S697 VanDerWaalsContact SG-OG 3.37Å; R691-S697 PolarHBondContact NH1-OG 3.12Å; D693-S697 PolarHBondContact O-N 3.12Å; D693-S697 PolarHBondContact O-OG 3.34Å; S697-I699 VanDerWaalsContact C-N 3.32Å; S697-I699 PolarHBondContact O-N 3.32Å; S697-L701 VanDerWaalsContact O-CB 3.24Å; S697-L701 WeakPolarHBondContact O-CB 3.42Å; S697-L701 PolarHBondContact O-N 3.1Å
698	C	94.1	Very high	91.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-29.8	173	-74	0	0	0	0	114.2	T616 L618 A685 H694 R696 G702 V726	T616-C698 HydrophobicContact CG2-CB 4Å; T616-C698 PolarHBondContact OG1-SG 3.13Å; T616-C698 VanDerWaalsContact OG1-SG 3.32Å; L618-C698 HydrophobicContact CB-CB 4.47Å; L618-C698 WeakPolarHBondContact CD1-O 3.45Å; A685-C698 WeakPolarHBondContact CB-SG 3.36Å; H694-C698 PolarHBondContact O-N 3.2Å; R696-C698 VanDerWaalsContact C-N 3.32Å; R696-C698 PolarHBondContact O-N 3.15Å; C698-G702 PolarHBondContact O-N 3.12Å; C698-V726 HydrophobicContact CB-CG1 3.92Å
699	I	93.9	Very high	91.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-79.7	-43.9	177	-70.2	-173	0	0	0	111.3	A695 R696 S697 L701 G702 L703 T768 T772 L776 F780 V817	A695-I699 WeakPolarHBondContact O-CG1 3.43Å; A695-I699 PolarHBondContact O-N 3.05Å; R696-I699 WeakPolarHBondContact O-CA 3.34Å; R696-I699 PolarHBondContact O-N 3.15Å; S697-I699 VanDerWaalsContact C-N 3.32Å; S697-I699 PolarHBondContact O-N 3.32Å; I699-L701 VanDerWaalsContact C-N 3.26Å; I699-L701 PolarHBondContact O-N 3.2Å; I699-G702 PolarHBondContact O-N 3.2Å; I699-G702 VanDerWaalsContact O-N 3.1Å; I699-L703 HydrophobicContact CG2-CD1 3.81Å; I699-L703 HydrophobicContact CG2-CG 4.21Å; I699-L703 WeakPolarHBondContact O-CB 3.37Å; I699-L703 VanDerWaalsContact O-CG 3.3Å; I699-L703 WeakPolarHBondContact O-CG 3.41Å; I699-L703 PolarHBondContact O-N 2.83Å; I699-T768 HydrophobicContact CD1-CG2 3.59Å; I699-T768 HydrophobicContact CG1-CG2 4.26Å; I699-T772 HydrophobicContact CD1-CG2 4.13Å; I699-L776 HydrophobicContact CD1-CD1 3.44Å; I699-L776 VanDerWaalsContact CD1-CD1 3.47Å; I699-L776 HydrophobicContact CD1-CD2 3.52Å; I699-L776 VanDerWaalsContact CD1-CD2 3.49Å; I699-L776 HydrophobicContact CD1-CG 4.07Å; I699-L776 HydrophobicContact CG1-CD2 4.42Å; I699-F780 HydrophobicContact CG2-CD1 4.47Å; I699-F780 HydrophobicContact CG2-CE1 3.99Å; I699-F780 HydrophobicContact CG2-CZ 4.4Å; I699-V817 HydrophobicContact CD1-CG2 4.23Å; I699-V817 HydrophobicContact CG2-CG1 4.04Å
700	D	92.5	Very high	91.8	Very high	22.6667 Å²	22.6667	39.2 Å²	39.2	12%	0.121	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-40.4	175.3	-71.9	-17.1	0	0	0	109.2	R696 L703 N704 F780 R820	R696-D700 VanDerWaalsContact CG-OD2 3.29Å; R696-D700 WeakPolarHBondContact CG-OD2 3.25Å; R696-D700 IonicContact CZ-OD2 2.76Å; R696-D700 IonicContact NE-OD2 3.17Å; R696-D700 PolarHBondContact NE-OD2 2.93Å; R696-D700 IonicContact NH2-OD2 3.81Å; R696-D700 PolarHBondContact NH2-OD2 2.93Å; R696-D700 PolarHBondContact O-N 3.14Å; D700-L703 PolarHBondContact O-N 3.24Å; D700-N704 WeakPolarHBondContact O-CB 3.44Å; D700-N704 VanDerWaalsContact O-CG 3.27Å; D700-N704 PolarHBondContact O-N 3.4Å; D700-N704 PolarHBondContact O-ND2 2.81Å; D700-F780 VanDerWaalsContact OD1-CZ 3.3Å; D700-F780 WeakPolarHBondContact OD1-CZ 3.46Å; D700-R820 IonicContact OD1-NH2 2.69Å; D700-R820 IonicContact OD2-NH2 2.71Å
701	L	94	Very high	91.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.3	-51.9	167.3	179.3	60.2	0	0	0	113.6	L618 L665 A666 E669 C671 S697 I699 L703 N704 M705	L618-L701 HydrophobicContact CD1-CD2 4.44Å; L618-L701 HydrophobicContact CD1-CG 4.46Å; L665-L701 HydrophobicContact CB-CD1 3.57Å; A666-L701 HydrophobicContact CB-CD1 4.43Å; A666-L701 HydrophobicContact CB-CD2 4.22Å; E669-L701 HydrophobicContact CB-CB 4.02Å; E669-L701 HydrophobicContact CB-CD1 4.42Å; E669-L701 HydrophobicContact CG-CB 3.97Å; E669-L701 HydrophobicContact CG-CD1 4.23Å; C671-L701 HydrophobicContact CB-CD2 3.65Å; S697-L701 VanDerWaalsContact O-CB 3.24Å; S697-L701 WeakPolarHBondContact O-CB 3.42Å; S697-L701 PolarHBondContact O-N 3.1Å; I699-L701 VanDerWaalsContact C-N 3.26Å; I699-L701 PolarHBondContact O-N 3.2Å; L701-L703 VanDerWaalsContact C-N 3.32Å; L701-L703 PolarHBondContact O-N 2.97Å; L701-N704 PolarHBondContact O-N 3.01Å; L701-M705 HydrophobicContact CD1-CE 3.83Å; L701-M705 HydrophobicContact CD1-CG 4.34Å; L701-M705 HydrophobicContact CD1-SD 4.42Å; L701-M705 HydrophobicContact CD2-CE 4.06Å; L701-M705 HydrophobicContact CG-CE 3.86Å; L701-M705 HydrophobicContact CG-SD 4.2Å; L701-M705 WeakPolarHBondContact O-CG 3.35Å; L701-M705 PolarHBondContact O-N 3.13Å
702	G	93.3	Very high	91.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-36.8	-178.5	0	0	0	0	0	113.3	C698 I699 L706	C698-G702 PolarHBondContact O-N 3.12Å; I699-G702 PolarHBondContact O-N 3.2Å; I699-G702 VanDerWaalsContact O-N 3.1Å; G702-L706 WeakPolarHBondContact O-CD1 3.23Å; G702-L706 VanDerWaalsContact O-CG 3.27Å; G702-L706 WeakPolarHBondContact O-CG 3.4Å; G702-L706 PolarHBondContact O-N 3.22Å; G702-L706 VanDerWaalsContact O-N 3.1Å
703	L	92	Very high	91.6	Very high	24.3333 Å²	24.3333	26.7 Å²	26.7	13%	0.127	13%	0.134	C	C	.	.	H	α-helix	trans	-68.4	-41.1	173.7	-69.2	170.1	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 4.21Å; I699-L703 WeakPolarHBondContact O-CB 3.37Å; I699-L703 VanDerWaalsContact O-CG 3.3Å; I699-L703 WeakPolarHBondContact O-CG 3.41Å; I699-L703 PolarHBondContact O-N 2.83Å; D700-L703 PolarHBondContact O-N 3.24Å; L701-L703 VanDerWaalsContact C-N 3.32Å; L701-L703 PolarHBondContact O-N 2.97Å; L703-L706 PolarHBondContact O-N 3.25Å; L703-K707 WeakPolarHBondContact O-CB 3.27Å; L703-K707 PolarHBondContact O-N 3.19Å; L703-V766 HydrophobicContact CD2-CG2 4.03Å; L703-V766 HydrophobicContact CG-CG2 4.15Å; L703-F780 HydrophobicContact CD1-CE1 4.38Å; L703-P819 HydrophobicContact CD2-CB 4.23Å
704	N	91.9	Very high	91.4	Very high	56 Å²	56	30 Å²	30	30%	0.299	15%	0.147	S	C	.	.	H	α-helix	trans	-64.9	-40.3	175.3	-76.7	-28.8	0	0	0	112.2	L665 E669 D700 L701 K707 I708	L665-N704 HydrophobicContact CD1-CB 3.86Å; L665-N704 HydrophobicContact CD2-CB 4.18Å; E669-N704 PolarHBondContact OE1-ND2 3.27Å; D700-N704 WeakPolarHBondContact O-CB 3.44Å; D700-N704 VanDerWaalsContact O-CG 3.27Å; D700-N704 PolarHBondContact O-N 3.4Å; D700-N704 PolarHBondContact O-ND2 2.81Å; L701-N704 PolarHBondContact O-N 3.01Å; N704-K707 PolarHBondContact O-N 2.99Å; N704-I708 WeakPolarHBondContact O-CG1 3.35Å; N704-I708 PolarHBondContact O-N 3.18Å; N704-I708 VanDerWaalsContact O-N 3.08Å
705	M	92.7	Very high	91	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-46.5	172.4	-71.7	171	166.7	0	0	112.1	L618 F662 L665 Y681 L701 K707 I708 I709 L722	L618-M705 HydrophobicContact CD2-CE 4.4Å; L618-M705 HydrophobicContact CD2-SD 4.15Å; F662-M705 HydrophobicContact CB-CE 3.95Å; F662-M705 HydrophobicContact CD1-CB 4.45Å; F662-M705 HydrophobicContact CD1-CG 3.92Å; F662-M705 HydrophobicContact CD2-CE 4.21Å; F662-M705 HydrophobicContact CE1-CB 4.04Å; F662-M705 HydrophobicContact CE1-CG 3.98Å; F662-M705 HydrophobicContact CG-CE 4.01Å; F662-M705 HydrophobicContact CG-CG 4.26Å; 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 3.88Å; Y681-M705 HydrophobicContact CE1-CE 3.48Å; Y681-M705 VanDerWaalsContact CE1-CE 3.47Å; L701-M705 HydrophobicContact CD1-CE 3.83Å; L701-M705 HydrophobicContact CD1-CG 4.34Å; L701-M705 HydrophobicContact CD1-SD 4.42Å; L701-M705 HydrophobicContact CD2-CE 4.06Å; L701-M705 HydrophobicContact CG-CE 3.86Å; L701-M705 HydrophobicContact CG-SD 4.2Å; L701-M705 WeakPolarHBondContact O-CG 3.35Å; L701-M705 PolarHBondContact O-N 3.13Å; M705-K707 VanDerWaalsContact C-N 3.32Å; M705-K707 PolarHBondContact O-N 3.14Å; M705-I708 PolarHBondContact O-N 3.27Å; M705-I709 WeakPolarHBondContact O-CG1 3.38Å; M705-I709 PolarHBondContact O-N 3.09Å; M705-L722 HydrophobicContact CB-CD2 3.77Å
706	L	91.8	Very high	90.4	Very high	14.6667 Å²	14.6667	34.9 Å²	34.9	8%	0.077	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-40.9	177.1	-75.1	164.9	0	0	0	111.8	G702 L703 I709 G710 L722 V724 V766	G702-L706 WeakPolarHBondContact O-CD1 3.23Å; G702-L706 VanDerWaalsContact O-CG 3.27Å; G702-L706 WeakPolarHBondContact O-CG 3.4Å; G702-L706 PolarHBondContact O-N 3.22Å; G702-L706 VanDerWaalsContact O-N 3.1Å; L703-L706 PolarHBondContact O-N 3.25Å; L706-I709 PolarHBondContact O-N 3.18Å; L706-G710 PolarHBondContact O-N 3.19Å; L706-L722 HydrophobicContact CD2-CB 4.15Å; L706-L722 HydrophobicContact CD2-CD2 4.28Å; L706-L722 VanDerWaalsContact CD2-O 3.29Å; L706-L722 WeakPolarHBondContact CD2-O 3.36Å; L706-L722 HydrophobicContact CG-CD2 4.42Å; L706-V724 HydrophobicContact CD1-CG2 4.37Å; L706-V724 HydrophobicContact CD2-CG2 4.13Å; L706-V724 HydrophobicContact CG-CG2 4Å; L706-V766 HydrophobicContact CD1-CG2 3.65Å
707	K	90.7	Very high	89.7	Confident	128.667 Å²	128.667	35.9 Å²	35.9	56%	0.559	18%	0.182	S	C	*	.	H	α-helix	trans	-61.4	-49	176.5	-179.8	175.7	175.2	175	0	112.1	L703 N704 M705 I709 G710 E711	L703-K707 WeakPolarHBondContact O-CB 3.27Å; L703-K707 PolarHBondContact O-N 3.19Å; N704-K707 PolarHBondContact O-N 2.99Å; M705-K707 VanDerWaalsContact C-N 3.32Å; M705-K707 PolarHBondContact O-N 3.14Å; K707-I709 VanDerWaalsContact C-N 3.34Å; K707-I709 PolarHBondContact O-N 3.03Å; K707-G710 PolarHBondContact O-N 2.93Å; K707-E711 WeakPolarHBondContact CE-OE1 3.3Å; K707-E711 WeakPolarHBondContact O-CG 3.17Å; K707-E711 PolarHBondContact O-N 2.99Å
708	I	90	Very high	89	Confident	10.3333 Å²	10.3333	35.8 Å²	35.8	5%	0.053	18%	0.181	C	C	.	.	H	α-helix	trans	-63.4	-41.2	179.2	-66.9	-176.6	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 CD2-CD1 4.21Å; L665-I708 HydrophobicContact CG-CD1 4.08Å; N704-I708 WeakPolarHBondContact O-CG1 3.35Å; N704-I708 PolarHBondContact O-N 3.18Å; N704-I708 VanDerWaalsContact O-N 3.08Å; M705-I708 PolarHBondContact O-N 3.27Å; I708-G710 VanDerWaalsContact C-N 3.31Å; I708-G710 PolarHBondContact O-N 3.14Å; I708-E711 PolarHBondContact O-N 2.97Å; I708-I712 HydrophobicContact CG2-CD1 3.98Å; I708-I712 HydrophobicContact CG2-CG1 4.43Å; I708-I712 WeakPolarHBondContact O-CG1 3.45Å; I708-I712 PolarHBondContact O-N 3.23Å; I708-L874 HydrophobicContact CG2-CD2 4.17Å; I708-V878 HydrophobicContact CD1-CB 4.48Å; I708-V878 HydrophobicContact CD1-CG1 3.95Å; I708-V878 HydrophobicContact CD1-CG2 4.02Å; I708-V878 HydrophobicContact CG1-CG2 4.46Å
709	I	90.2	Very high	88.3	Confident	3.66667 Å²	3.66667	39.8 Å²	39.8	2%	0.019	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-35.5	176.2	-65.9	-63.9	0	0	0	111.6	L622 I658 F662 M705 L706 K707 I712 S713 L720 L722	L622-I709 HydrophobicContact CD1-CD1 4.37Å; L622-I709 HydrophobicContact CD1-CG2 4.43Å; I658-I709 HydrophobicContact CD1-CD1 4.07Å; I658-I709 HydrophobicContact CG2-CD1 4.23Å; F662-I709 HydrophobicContact CE1-CD1 4.29Å; F662-I709 HydrophobicContact CE1-CG1 4.2Å; F662-I709 HydrophobicContact CZ-CD1 3.93Å; F662-I709 HydrophobicContact CZ-CG1 3.86Å; M705-I709 WeakPolarHBondContact O-CG1 3.38Å; M705-I709 PolarHBondContact O-N 3.09Å; L706-I709 PolarHBondContact O-N 3.18Å; K707-I709 VanDerWaalsContact C-N 3.34Å; K707-I709 PolarHBondContact O-N 3.03Å; I709-I712 HydrophobicContact CD1-CD1 4.47Å; I709-I712 PolarHBondContact O-N 3.27Å; I709-S713 VanDerWaalsContact O-CB 3.26Å; I709-S713 WeakPolarHBondContact O-CB 3.4Å; I709-S713 PolarHBondContact O-N 3.26Å; I709-L720 HydrophobicContact CG2-CB 3.73Å; I709-L720 HydrophobicContact CG2-CD1 4.45Å; I709-L720 WeakPolarHBondContact CG2-O 3.33Å; I709-L722 HydrophobicContact CB-CB 4.31Å; I709-L722 HydrophobicContact CG1-CB 4.17Å; I709-L722 HydrophobicContact CG1-CD2 4.12Å; I709-L722 HydrophobicContact CG2-CB 4.11Å
710	G	89.4	Confident	87.7	Confident	21.6667 Å²	21.6667	40.5 Å²	40.5	22%	0.223	20%	0.204	C	C	.	.	H	α-helix	trans	-59.1	-52.2	170	0	0	0	0	0	112.5	L706 K707 I708 I712 S713 E714	L706-G710 PolarHBondContact O-N 3.19Å; K707-G710 PolarHBondContact O-N 2.93Å; I708-G710 VanDerWaalsContact C-N 3.31Å; I708-G710 PolarHBondContact O-N 3.14Å; G710-I712 VanDerWaalsContact C-N 3.33Å; G710-I712 PolarHBondContact O-N 3.11Å; G710-S713 WeakPolarHBondContact O-CB 3.35Å; G710-S713 PolarHBondContact O-N 2.98Å; G710-E714 WeakPolarHBondContact O-CG 3.35Å; G710-E714 PolarHBondContact O-N 3.08Å
711	E	88.1	Confident	87.4	Confident	62.6667 Å²	62.6667	42.3 Å²	42.3	29%	0.293	21%	0.211	S	C	.	.	H	α-helix	trans	-59.1	-39.5	177.5	-70.9	174.4	-166.2	0	0	112.2	K707 I708 L715 L874	K707-E711 WeakPolarHBondContact CE-OE1 3.3Å; K707-E711 WeakPolarHBondContact O-CG 3.17Å; K707-E711 PolarHBondContact O-N 2.99Å; I708-E711 PolarHBondContact O-N 2.97Å; E711-L715 VanDerWaalsContact O-CB 3.29Å; E711-L715 WeakPolarHBondContact O-CB 3.46Å; E711-L715 WeakPolarHBondContact O-CD1 3.34Å; E711-L715 VanDerWaalsContact O-CG 3.26Å; E711-L715 WeakPolarHBondContact O-CG 3.42Å; E711-L715 PolarHBondContact O-N 3.26Å; E711-L715 VanDerWaalsContact O-N 3.13Å; E711-L874 HydrophobicContact CB-CD1 4.45Å; E711-L874 HydrophobicContact CB-CD2 3.58Å
712	I	87.5	Confident	87.2	Confident	0.333333 Å²	0.333333	42.8 Å²	42.8	0%	0.002	21%	0.214	C	C	.	.	H	α-helix	trans	-67	-41.3	172.9	-64.3	172.9	0	0	0	111.1	F654 I658 I708 I709 G710 L715 S716 L720 L867 V870 A871 L874	F654-I712 HydrophobicContact CE2-CG2 4.47Å; I658-I712 HydrophobicContact CD1-CD1 4.39Å; I658-I712 HydrophobicContact CG1-CD1 4.13Å; I708-I712 HydrophobicContact CG2-CD1 3.98Å; I708-I712 HydrophobicContact CG2-CG1 4.43Å; I708-I712 WeakPolarHBondContact O-CG1 3.45Å; I708-I712 PolarHBondContact O-N 3.23Å; I709-I712 HydrophobicContact CD1-CD1 4.47Å; I709-I712 PolarHBondContact O-N 3.27Å; G710-I712 VanDerWaalsContact C-N 3.33Å; G710-I712 PolarHBondContact O-N 3.11Å; I712-L715 PolarHBondContact O-N 3.36Å; I712-S716 VanDerWaalsContact O-CB 3.25Å; I712-S716 WeakPolarHBondContact O-CB 3.39Å; I712-S716 PolarHBondContact O-N 3.14Å; I712-S716 PolarHBondContact O-OG 3.18Å; I712-L720 HydrophobicContact CB-CD1 4.18Å; I712-L720 HydrophobicContact CG2-CD1 3.66Å; I712-L867 HydrophobicContact CG2-CD2 4.5Å; I712-V870 HydrophobicContact CG2-CG1 4.28Å; I712-A871 HydrophobicContact CD1-CB 4.16Å; I712-L874 HydrophobicContact CD1-CD2 4.42Å; I712-L874 HydrophobicContact CG1-CD2 3.56Å
713	S	87.3	Confident	87.1	Confident	23.6667 Å²	23.6667	46 Å²	46	17%	0.166	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-46	-179.1	-169.7	0	0	0	0	111.6	I709 G710 S716 H717 V718 Q719 L720	I709-S713 VanDerWaalsContact O-CB 3.26Å; I709-S713 WeakPolarHBondContact O-CB 3.4Å; I709-S713 PolarHBondContact O-N 3.26Å; G710-S713 WeakPolarHBondContact O-CB 3.35Å; G710-S713 PolarHBondContact O-N 2.98Å; S713-S716 PolarHBondContact O-OG 3.31Å; S713-H717 WeakPolarHBondContact O-CA 3.42Å; S713-H717 PolarHBondContact O-N 3.26Å; S713-H717 VanDerWaalsContact O-N 3.12Å; S713-V718 VanDerWaalsContact CA-O 3.28Å; S713-V718 WeakPolarHBondContact CA-O 3.33Å; S713-V718 WeakPolarHBondContact CB-O 3.22Å; S713-V718 PolarHBondContact O-N 3.42Å; S713-V718 PolarHBondContact OG-O 3.17Å; S713-Q719 WeakPolarHBondContact OG-CA 3.47Å; S713-L720 PolarHBondContact OG-N 3.33Å; S713-L720 VanDerWaalsContact OG-N 3.12Å
714	E	86.6	Confident	87.2	Confident	144 Å²	144	44.9 Å²	44.9	67%	0.673	22%	0.22	S	C	*	.	H	α-helix	trans	-62.3	-50.6	175.9	-71.1	175.9	-167.6	0	0	111.8	G710 S716 H717	G710-E714 WeakPolarHBondContact O-CG 3.35Å; G710-E714 PolarHBondContact O-N 3.08Å; E714-S716 PolarHBondContact O-N 3.43Å; E714-H717 PolarHBondContact O-CE1 3.07Å; E714-H717 PolarHBondContact O-N 3.33Å; E714-H717 PolarHBondContact O-ND1 3.32Å
715	L	86.1	Confident	87.3	Confident	103 Å²	103	42.2 Å²	42.2	54%	0.539	21%	0.206	S	C	.	.	H	α-helix	trans	-72.1	-28.7	-176	-71.1	172.4	0	0	0	114.3	E711 I712 V870 L874	E711-L715 VanDerWaalsContact O-CB 3.29Å; E711-L715 WeakPolarHBondContact O-CB 3.46Å; E711-L715 WeakPolarHBondContact O-CD1 3.34Å; E711-L715 VanDerWaalsContact O-CG 3.26Å; E711-L715 WeakPolarHBondContact O-CG 3.42Å; E711-L715 PolarHBondContact O-N 3.26Å; E711-L715 VanDerWaalsContact O-N 3.13Å; I712-L715 PolarHBondContact O-N 3.36Å; L715-V870 HydrophobicContact CB-CG1 3.51Å; L715-V870 VanDerWaalsContact CB-CG1 3.49Å; L715-V870 HydrophobicContact CB-CG2 4.41Å; L715-V870 HydrophobicContact CD1-CG1 4.35Å; L715-L874 HydrophobicContact CD1-CD1 4.12Å
716	S	80.7	Confident	87.5	Confident	4.33333 Å²	4.33333	42.2 Å²	42.2	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-87.2	-13.7	177.9	63.1	0	0	0	0	113.6	I712 S713 E714 V718 L867	I712-S716 VanDerWaalsContact O-CB 3.25Å; I712-S716 WeakPolarHBondContact O-CB 3.39Å; I712-S716 PolarHBondContact O-N 3.14Å; I712-S716 PolarHBondContact O-OG 3.18Å; S713-S716 PolarHBondContact O-OG 3.31Å; E714-S716 PolarHBondContact O-N 3.43Å; S716-V718 VanDerWaalsContact C-N 3.29Å; S716-V718 PolarHBondContact O-N 2.96Å; S716-V718 PolarHBondContact OG-N 3.38Å; S716-L867 WeakPolarHBondContact OG-CD2 3.44Å
717	H	78.6	Confident	87.6	Confident	125 Å²	125	41.7 Å²	41.7	58%	0.579	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	34.3	-168.3	-59.8	-53.3	0	0	0	113.9	S713 E714 W849	S713-H717 WeakPolarHBondContact O-CA 3.42Å; S713-H717 PolarHBondContact O-N 3.26Å; S713-H717 VanDerWaalsContact O-N 3.12Å; E714-H717 PolarHBondContact O-CE1 3.07Å; E714-H717 PolarHBondContact O-N 3.33Å; E714-H717 PolarHBondContact O-ND1 3.32Å; H717-W849 HydrophobicContact CB-CE3 4.43Å; H717-W849 HydrophobicContact CB-CZ3 3.78Å; H717-W849 AromaticContact CG-CZ3 3.89Å; H717-W849 AromaticContact ND1-CH2 3.63Å; H717-W849 WeakPolarHBondContact ND1-CH2 3.47Å; H717-W849 AromaticContact ND1-CZ3 3.49Å; H717-W849 VanDerWaalsContact ND1-CZ3 3.35Å; H717-W849 WeakPolarHBondContact ND1-CZ3 3.19Å
718	V	76.8	Confident	87.8	Confident	6.33333 Å²	6.33333	35.8 Å²	35.8	4%	0.038	18%	0.178	C	C	.	.	S	Bend	trans	-123.3	130.1	177.2	-176.5	0	0	0	0	108.9	S713 S716 L720 L852 V863 L867	S713-V718 VanDerWaalsContact CA-O 3.28Å; S713-V718 WeakPolarHBondContact CA-O 3.33Å; S713-V718 WeakPolarHBondContact CB-O 3.22Å; S713-V718 PolarHBondContact O-N 3.42Å; S713-V718 PolarHBondContact OG-O 3.17Å; S716-V718 VanDerWaalsContact C-N 3.29Å; S716-V718 PolarHBondContact O-N 2.96Å; S716-V718 PolarHBondContact OG-N 3.38Å; V718-L720 HydrophobicContact CG1-CD2 4.16Å; V718-L720 HydrophobicContact CG1-CG 4.44Å; V718-L720 PolarHBondContact O-N 3.3Å; V718-L720 VanDerWaalsContact O-N 3.13Å; V718-L852 HydrophobicContact CG1-CD1 4.19Å; V718-L852 HydrophobicContact CG1-CD2 4.36Å; V718-V863 HydrophobicContact CG1-CG1 4.49Å; V718-V863 HydrophobicContact CG2-CG1 3.64Å; V718-L867 HydrophobicContact CB-CD2 4.06Å; V718-L867 HydrophobicContact CB-CG 4.43Å; V718-L867 HydrophobicContact CG1-CD1 4.43Å; V718-L867 HydrophobicContact CG1-CD2 4.26Å; V718-L867 HydrophobicContact CG2-CD1 4.31Å; V718-L867 HydrophobicContact CG2-CD2 4.07Å; V718-L867 HydrophobicContact CG2-CG 4.06Å
719	Q	79.5	Confident	88	Confident	84 Å²	84	35.9 Å²	35.9	39%	0.393	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-70.5	108.7	174.7	-108.5	175.6	-14.8	0	0	110.4	S713 E721 W849 S850 T851 L852	S713-Q719 WeakPolarHBondContact OG-CA 3.47Å; Q719-E721 PolarHBondContact NE2-OE1 3.45Å; Q719-W849 HydrophobicContact CB-CB 4.26Å; Q719-W849 VanDerWaalsContact CD-CB 3.5Å; Q719-W849 HydrophobicContact CG-CB 3.81Å; Q719-W849 HydrophobicContact CG-CG 4.32Å; Q719-S850 PolarHBondContact N-O 3.18Å; Q719-T851 HydrophobicContact CG-CG2 4.37Å; Q719-T851 PolarHBondContact OE1-OG1 3.4Å; Q719-L852 HydrophobicContact CB-CD1 4.2Å; Q719-L852 WeakPolarHBondContact O-CD1 3.35Å; Q719-L852 PolarHBondContact O-N 3.42Å
720	L	82.9	Confident	88.1	Confident	16 Å²	16	38 Å²	38	8%	0.084	19%	0.194	C	C	.	.			trans	-109.5	113.1	175.3	-62.2	-179.1	0	0	0	109.5	L622 F654 I709 I712 S713 V718 L852 L867	L622-L720 HydrophobicContact CD1-CB 4.39Å; F654-L720 HydrophobicContact CZ-CD1 4.31Å; I709-L720 HydrophobicContact CG2-CB 3.73Å; I709-L720 HydrophobicContact CG2-CD1 4.45Å; I709-L720 WeakPolarHBondContact CG2-O 3.33Å; I712-L720 HydrophobicContact CB-CD1 4.18Å; I712-L720 HydrophobicContact CG2-CD1 3.66Å; S713-L720 PolarHBondContact OG-N 3.33Å; S713-L720 VanDerWaalsContact OG-N 3.12Å; V718-L720 HydrophobicContact CG1-CD2 4.16Å; V718-L720 HydrophobicContact CG1-CG 4.44Å; V718-L720 PolarHBondContact O-N 3.3Å; V718-L720 VanDerWaalsContact O-N 3.13Å; L720-L852 HydrophobicContact CD2-CD1 3.57Å; L720-L867 HydrophobicContact CD1-CD2 3.97Å; L720-L867 HydrophobicContact CD2-CD2 4.22Å; L720-L867 HydrophobicContact CG-CD2 4.4Å
721	E	85.2	Confident	88.3	Confident	59.6667 Å²	59.6667	37 Å²	37	28%	0.279	18%	0.184	S	C	.	.			trans	-96.9	122.9	171.8	-71.5	-176.5	-176	0	0	110.5	V623 Q719 R723 P763 W849	V623-E721 HydrophobicContact CB-CB 3.91Å; V623-E721 HydrophobicContact CG2-CB 3.75Å; V623-E721 WeakPolarHBondContact CG2-O 3.4Å; V623-E721 PolarHBondContact N-O 3.04Å; Q719-E721 PolarHBondContact NE2-OE1 3.45Å; E721-R723 IonicContact OE2-CZ 2.64Å; E721-R723 IonicContact OE2-NE 3.87Å; E721-R723 IonicContact OE2-NH2 3.14Å; E721-R723 PolarHBondContact OE2-NH2 3Å; E721-R723 VanDerWaalsContact OE2-NH2 3.13Å; E721-P763 HydrophobicContact CG-CB 4.5Å; E721-W849 HydrophobicContact CB-CH2 4.2Å; E721-W849 HydrophobicContact CB-CZ2 4.11Å; E721-W849 HydrophobicContact CG-CH2 4.28Å; E721-W849 HydrophobicContact CG-CZ2 3.9Å
722	L	90.2	Very high	88.5	Confident	11 Å²	11	39.2 Å²	39.2	6%	0.058	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.2	165.8	-174.9	78.9	0	0	0	109	A620 E621 F662 M705 L706 I709 V724	A620-L722 HydrophobicContact CB-CD1 4.33Å; E621-L722 WeakPolarHBondContact O-CA 3.36Å; F662-L722 HydrophobicContact CE2-CD1 4.22Å; F662-L722 HydrophobicContact CZ-CD1 4.19Å; F662-L722 HydrophobicContact CZ-CD2 4.11Å; M705-L722 HydrophobicContact CB-CD2 3.77Å; L706-L722 HydrophobicContact CD2-CB 4.15Å; L706-L722 HydrophobicContact CD2-CD2 4.28Å; L706-L722 VanDerWaalsContact CD2-O 3.29Å; L706-L722 WeakPolarHBondContact CD2-O 3.36Å; L706-L722 HydrophobicContact CG-CD2 4.42Å; I709-L722 HydrophobicContact CB-CB 4.31Å; I709-L722 HydrophobicContact CG1-CB 4.17Å; I709-L722 HydrophobicContact CG1-CD2 4.12Å; I709-L722 HydrophobicContact CG2-CB 4.11Å; L722-V724 HydrophobicContact CD2-CG2 3.56Å; L722-V724 HydrophobicContact CG-CG2 3.82Å
723	R	91.8	Very high	88.7	Confident	66.6667 Å²	66.6667	39.3 Å²	39.3	25%	0.252	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122.4	171.9	-65.6	-175.3	-174.6	159.5	9.2	108.8	A620 E621 V623 E721 K757 A760	A620-R723 CarbonylContact C-O 3.4Å; A620-R723 WeakPolarHBondContact CA-O 3.39Å; E621-R723 PolarHBondContact N-O 2.96Å; E621-R723 PolarHBondContact O-N 3.1Å; V623-R723 HydrophobicContact CG2-CG 3.63Å; V623-R723 VanDerWaalsContact CG2-NE 3.3Å; E721-R723 IonicContact OE2-CZ 2.64Å; E721-R723 IonicContact OE2-NE 3.87Å; E721-R723 IonicContact OE2-NH2 3.14Å; E721-R723 PolarHBondContact OE2-NH2 3Å; E721-R723 VanDerWaalsContact OE2-NH2 3.13Å; R723-K757 HydrophobicContact CB-CG 4.5Å; R723-A760 HydrophobicContact CB-CB 4.28Å; R723-A760 WeakPolarHBondContact CD-O 3.4Å; R723-A760 VanDerWaalsContact CG-O 3.3Å; R723-A760 WeakPolarHBondContact CG-O 3.37Å
724	V	94	Very high	88.7	Confident	0.333333 Å²	0.333333	38.9 Å²	38.9	0%	0.002	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.7	-179.5	-171.9	0	0	0	0	109.8	L618 A620 L706 L722 V726 V766 L767	L618-V724 HydrophobicContact CD1-CG1 3.81Å; L618-V724 HydrophobicContact CD2-CG1 4.39Å; L618-V724 HydrophobicContact CG-CG1 3.95Å; A620-V724 HydrophobicContact CB-CG2 4.13Å; L706-V724 HydrophobicContact CD1-CG2 4.37Å; L706-V724 HydrophobicContact CD2-CG2 4.13Å; L706-V724 HydrophobicContact CG-CG2 4Å; L722-V724 HydrophobicContact CD2-CG2 3.56Å; L722-V724 HydrophobicContact CG-CG2 3.82Å; V724-V726 HydrophobicContact CG1-CG2 4.38Å; V724-V766 HydrophobicContact CB-CG2 4.46Å; V724-V766 HydrophobicContact CG1-CG1 4.15Å; V724-V766 HydrophobicContact CG1-CG2 4.41Å; V724-L767 PolarHBondContact O-N 3.01Å
725	S	94.1	Very high	88.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141	176.8	60.1	0	0	0	0	111.7	L618 S619 V753 K757 L767	L618-S725 WeakPolarHBondContact CA-O 3.34Å; S619-S725 PolarHBondContact N-O 3.45Å; S619-S725 PolarHBondContact O-N 3.15Å; S619-S725 PolarHBondContact O-OG 3.16Å; S725-V753 PolarHBondContact OG-O 3.22Å; S725-K757 WeakPolarHBondContact OG-CA 3.31Å; S725-K757 WeakPolarHBondContact OG-CB 3.46Å; S725-K757 PolarHBondContact OG-N 3.22Å; S725-L767 CarbonylContact C-O 3.53Å; S725-L767 VanDerWaalsContact CA-O 3.25Å; S725-L767 WeakPolarHBondContact CA-O 3.23Å
726	V	95.6	Very high	88.2	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	128.6	-177.9	-171.9	0	0	0	0	111.6	T616 F617 L618 C698 V724 V766 L767 T768 S769 T772	T616-V726 HydrophobicContact CG2-CG1 3.76Å; F617-V726 VanDerWaalsContact O-CA 3.32Å; F617-V726 WeakPolarHBondContact O-CA 3.34Å; F617-V726 WeakPolarHBondContact O-CG1 3.39Å; L618-V726 HydrophobicContact CB-CG2 4.16Å; L618-V726 HydrophobicContact CD1-CG2 3.97Å; L618-V726 HydrophobicContact CG-CG2 4.11Å; C698-V726 HydrophobicContact CB-CG1 3.92Å; V724-V726 HydrophobicContact CG1-CG2 4.38Å; V726-V766 HydrophobicContact CB-CG1 4.38Å; V726-V766 HydrophobicContact CG2-CG1 3.61Å; V726-L767 PolarHBondContact N-O 3.13Å; V726-T768 HydrophobicContact CB-CG2 4.46Å; V726-T768 VanDerWaalsContact O-CA 3.31Å; V726-T768 WeakPolarHBondContact O-CA 3.25Å; V726-S769 PolarHBondContact O-N 3.14Å; V726-S769 VanDerWaalsContact O-N 3.14Å; V726-T772 HydrophobicContact CB-CG2 4.35Å; V726-T772 HydrophobicContact CG1-CG2 3.75Å; V726-T772 PolarHBondContact O-OG1 3.27Å
727	H	95	Very high	87.8	Confident	3.66667 Å²	3.66667	33.6 Å²	33.6	2%	0.017	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	142.3	177.6	164.7	69.5	0	0	0	111.6	F617 D749 Y752 V753 L756 S769 S771 T772	F617-H727 WeakPolarHBondContact CD2-O 3.44Å; F617-H727 PolarHBondContact N-O 2.94Å; F617-H727 PolarHBondContact O-N 3.35Å; F617-H727 VanDerWaalsContact O-N 3.11Å; H727-D749 PolarHBondContact CD2-O 3.09Å; H727-D749 IonicContact CE1-OD1 2.97Å; H727-D749 WeakPolarHBondContact NE2-CB 3.18Å; H727-D749 IonicContact NE2-OD1 3.63Å; H727-D749 PolarHBondContact NE2-OD1 3.04Å; H727-Y752 HydrophobicContact CB-CD1 4.19Å; H727-Y752 HydrophobicContact CB-CE1 4.24Å; H727-Y752 AromaticContact CD2-CD1 3.64Å; H727-Y752 AromaticContact CG-CD1 3.68Å; H727-Y752 AromaticContact CG-CE1 3.87Å; H727-Y752 AromaticContact ND1-CD1 3.9Å; H727-Y752 AromaticContact ND1-CE1 3.82Å; H727-Y752 AromaticContact NE2-CD1 3.88Å; H727-V753 HydrophobicContact CB-CG2 3.67Å; H727-L756 HydrophobicContact CB-CD2 4.45Å; H727-S769 WeakPolarHBondContact CA-OG 3.4Å; H727-S769 VanDerWaalsContact ND1-CB 3.3Å; H727-S769 WeakPolarHBondContact ND1-CB 3.37Å; H727-S769 PolarHBondContact ND1-OG 2.85Å; H727-S771 PolarHBondContact CE1-OG 3.43Å; H727-S771 PolarHBondContact ND1-OG 3.12Å; H727-S771 VanDerWaalsContact ND1-OG 3.15Å; H727-T772 VanDerWaalsContact CA-OG1 3.28Å; H727-T772 WeakPolarHBondContact CA-OG1 3.27Å
728	T	95.1	Very high	87.3	Confident	6.33333 Å²	6.33333	36.4 Å²	36.4	4%	0.039	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.4	175.9	62.6	0	0	0	0	110.5	V615 T616 A695 S771 T772 Q775	V615-T728 WeakPolarHBondContact O-CA 3.3Å; T616-T728 HydrophobicContact CG2-CG2 3.24Å; A695-T728 HydrophobicContact CB-CG2 4.21Å; T728-S771 WeakPolarHBondContact O-CB 3.24Å; T728-S771 PolarHBondContact O-OG 3.09Å; T728-S771 VanDerWaalsContact OG1-C 3.28Å; T728-S771 VanDerWaalsContact OG1-CB 3.25Å; T728-S771 WeakPolarHBondContact OG1-CB 3.25Å; T728-S771 PolarHBondContact OG1-O 3.03Å; T728-S771 PolarHBondContact OG1-OG 3.27Å; T728-T772 HydrophobicContact CG2-CG2 3.87Å; T728-T772 PolarHBondContact N-OG1 3.21Å; T728-T772 WeakPolarHBondContact OG1-CA 3.33Å; T728-T772 PolarHBondContact OG1-N 3.36Å; T728-T772 VanDerWaalsContact OG1-N 3.11Å; T728-Q775 VanDerWaalsContact CB-OE1 3.29Å; T728-Q775 HydrophobicContact CG2-CG 4.46Å; T728-Q775 PolarHBondContact OG1-OE1 3.14Å
729	G	92.7	Very high	86.8	Confident	12.3333 Å²	12.3333	40.7 Å²	40.7	13%	0.127	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173	-138.8	-174.8	0	0	0	0	0	112.4	N614 V615	N614-G729 VanDerWaalsContact CA-O 3.3Å; N614-G729 WeakPolarHBondContact CA-O 3.31Å; N614-G729 PolarHBondContact N-O 3.24Å; N614-G729 VanDerWaalsContact N-O 3.11Å; V615-G729 PolarHBondContact N-O 3.19Å; V615-G729 VanDerWaalsContact N-O 3.1Å; V615-G729 PolarHBondContact O-N 3.06Å; V615-G729 VanDerWaalsContact O-N 3.08Å
730	T	93.9	Very high	86.4	Confident	46 Å²	46	43.3 Å²	43.3	28%	0.282	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.6	-173.2	66	0	0	0	0	110.9	L612 D749	L612-T730 VanDerWaalsContact O-CA 3.26Å; L612-T730 WeakPolarHBondContact O-CA 3.34Å; L612-T730 WeakPolarHBondContact O-CB 3.49Å; T730-D749 WeakPolarHBondContact CA-OD2 3.43Å; T730-D749 PolarHBondContact N-OD2 2.92Å; T730-D749 WeakPolarHBondContact O-CB 3.43Å; T730-D749 PolarHBondContact OG1-OD2 2.94Å
731	A	93.3	Very high	86	Confident	0.666667 Å²	0.666667	44.1 Å²	44.1	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	158.5	176.3	0	0	0	0	0	111.4	L612 F617 L745 V750	L612-A731 WeakPolarHBondContact CB-O 3.4Å; L612-A731 PolarHBondContact N-O 3.17Å; L612-A731 PolarHBondContact O-N 3.01Å; F617-A731 HydrophobicContact CE1-CB 3.62Å; F617-A731 HydrophobicContact CZ-CB 3.45Å; F617-A731 VanDerWaalsContact CZ-CB 3.45Å; A731-L745 HydrophobicContact CB-CD2 4.02Å; A731-V750 HydrophobicContact CB-CG2 3.61Å
732	Y	92.6	Very high	85.7	Confident	110.667 Å²	110.667	42.7 Å²	42.7	43%	0.434	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	110.2	164	-60.1	-83.4	0	0	0	107.7	V609 I610 Y611 I746	V609-Y732 HydrophobicContact CG1-CD1 3.78Å; V609-Y732 HydrophobicContact CG1-CG 4.32Å; I610-Y732 CarbonylContact O-C 3.26Å; I610-Y732 WeakPolarHBondContact O-CA 3.39Å; Y611-Y732 AromaticContact CD2-CD1 3.73Å; Y611-Y732 HydrophobicContact CD2-CD1 3.73Å; Y611-Y732 HydrophobicContact CD2-CD2 4.45Å; Y611-Y732 AromaticContact CD2-CE1 3.36Å; Y611-Y732 HydrophobicContact CD2-CE1 3.36Å; Y611-Y732 HydrophobicContact CD2-CE2 4.22Å; Y611-Y732 HydrophobicContact CD2-CG 4.31Å; Y611-Y732 AromaticContact CD2-CZ 3.63Å; Y611-Y732 HydrophobicContact CE2-CE1 4.09Å; Y611-Y732 HydrophobicContact CE2-CE2 4.29Å; Y611-Y732 AromaticContact CE2-CZ 3.88Å; Y611-Y732 HydrophobicContact CG-CD1 4.31Å; Y611-Y732 AromaticContact CG-CE1 3.89Å; Y611-Y732 HydrophobicContact CG-CE1 3.89Å; Y732-I746 WeakPolarHBondContact CB-O 3.29Å; Y732-I746 PolarHBondContact N-O 3.44Å; Y732-I746 PolarHBondContact O-N 3.35Å
733	A	90.5	Very high	85.5	Confident	0.666667 Å²	0.666667	42.8 Å²	42.8	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.6	166.4	0	0	0	0	0	108.8	V609 I610 L612 F743 D744 L745	V609-A733 WeakPolarHBondContact CA-O 3.28Å; I610-A733 HydrophobicContact CB-CB 4.28Å; I610-A733 PolarHBondContact N-O 2.91Å; I610-A733 PolarHBondContact O-N 3.33Å; L612-A733 HydrophobicContact CD1-CB 3.77Å; L612-A733 HydrophobicContact CG-CB 4.05Å; A733-F743 HydrophobicContact CB-CE2 3.8Å; A733-F743 HydrophobicContact CB-CZ 3.69Å; A733-D744 WeakPolarHBondContact CA-O 3.38Å; A733-L745 HydrophobicContact CB-CD2 3.87Å
734	I	87.8	Confident	85.4	Confident	15.6667 Å²	15.6667	41 Å²	41	8%	0.08	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.9	-172	63	177.9	0	0	0	111.1	L608 V609 L736 F743 D744 I746	L608-I734 VanDerWaalsContact O-CA 3.31Å; L608-I734 WeakPolarHBondContact O-CA 3.32Å; V609-I734 HydrophobicContact CB-CG2 4.27Å; V609-I734 HydrophobicContact CG1-CG2 4.04Å; V609-I734 HydrophobicContact CG2-CG2 3.91Å; I734-L736 HydrophobicContact CD1-CD1 3.72Å; I734-L736 HydrophobicContact CD1-CD2 3.9Å; I734-L736 HydrophobicContact CD1-CG 3.66Å; I734-L736 HydrophobicContact CG1-CD1 4.4Å; I734-L736 HydrophobicContact CG1-CG 4.05Å; I734-F743 WeakPolarHBondContact O-CA 3.31Å; I734-D744 HydrophobicContact CG1-CB 4.33Å; I734-D744 PolarHBondContact N-O 3.26Å; I734-D744 PolarHBondContact O-N 3.34Å; I734-I746 HydrophobicContact CD1-CB 4.37Å; I734-I746 HydrophobicContact CD1-CD1 3.41Å; I734-I746 VanDerWaalsContact CD1-CD1 3.44Å; I734-I746 HydrophobicContact CD1-CG1 3.67Å
735	V	83.8	Confident	85.3	Confident	11 Å²	11	41.1 Å²	41.1	7%	0.067	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	116.8	165	179.6	0	0	0	0	108.3	L589 W604 L608 L741 G742 F743	L589-V735 HydrophobicContact CD2-CG2 3.87Å; W604-V735 HydrophobicContact CE3-CB 4.06Å; W604-V735 HydrophobicContact CE3-CG1 4.48Å; W604-V735 HydrophobicContact CE3-CG2 4.49Å; W604-V735 HydrophobicContact CH2-CB 4.42Å; W604-V735 HydrophobicContact CH2-CG1 4.34Å; W604-V735 HydrophobicContact CH2-CG2 3.99Å; W604-V735 HydrophobicContact CZ3-CB 3.49Å; W604-V735 VanDerWaalsContact CZ3-CB 3.49Å; W604-V735 HydrophobicContact CZ3-CG1 4.33Å; W604-V735 HydrophobicContact CZ3-CG2 3.46Å; W604-V735 VanDerWaalsContact CZ3-CG2 3.46Å; L608-V735 HydrophobicContact CD2-CB 4.48Å; L608-V735 HydrophobicContact CD2-CG2 3.84Å; L608-V735 PolarHBondContact O-N 3.07Å; V735-L741 HydrophobicContact CG1-CB 4.36Å; V735-L741 HydrophobicContact CG1-CD2 3.92Å; V735-G742 WeakPolarHBondContact CA-O 3.31Å; V735-F743 HydrophobicContact CG2-CB 4.42Å; V735-F743 HydrophobicContact CG2-CD2 4.28Å
736	L	78.6	Confident	85.1	Confident	83 Å²	83	45.4 Å²	45.4	44%	0.435	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	144.3	-178.5	-72.5	176.8	0	0	0	111.7	I734 L741 G742	I734-L736 HydrophobicContact CD1-CD1 3.72Å; I734-L736 HydrophobicContact CD1-CD2 3.9Å; I734-L736 HydrophobicContact CD1-CG 3.66Å; I734-L736 HydrophobicContact CG1-CD1 4.4Å; I734-L736 HydrophobicContact CG1-CG 4.05Å; L736-L741 WeakPolarHBondContact O-CA 3.31Å; L736-G742 PolarHBondContact N-O 3.3Å; L736-G742 PolarHBondContact O-N 3.11Å
737	G	72.7	Confident	84.8	Confident	46 Å²	46	46 Å²	46	47%	0.474	25%	0.246	S	C	.	.			trans	105.2	170.3	168.9	0	0	0	0	0	115.1	L741	G737-L741 WeakPolarHBondContact O-CD2 3.46Å; G737-L741 VanDerWaalsContact O-CG 3.28Å; G737-L741 WeakPolarHBondContact O-CG 3.38Å
738	R	67.3	Low	84.6	Confident	184.667 Å²	184.667	49.4 Å²	49.4	70%	0.697	26%	0.264	S	S	*	.	S	Bend	trans	-124.2	-34	170.5	-73.4	-175.4	174.7	153.9	1.4	112.5
739	S	65.6	Low	84.5	Confident	97 Å²	97	49.8 Å²	49.8	68%	0.678	27%	0.266	S	S	*	.	S	Bend	trans	-110.7	-10.7	171.4	57.3	0	0	0	0	111.9
740	R	71.6	Confident	84.5	Confident	137 Å²	137	49.4 Å²	49.4	52%	0.517	26%	0.262	S	S	.	.	S	Bend	trans	-131.1	89.2	176.1	-61.6	-179.6	-174.7	166.3	1.6	108	G742 T1105 S1106 T1111	R740-G742 PolarHBondContact O-N 3.02Å; R740-T1105 PolarHBondContact NH1-O 3.47Å; R740-S1106 VanDerWaalsContact CZ-O 3.25Å; R740-S1106 PolarHBondContact NH1-O 3.4Å; R740-T1111 PolarHBondContact NH1-O 2.88Å; R740-T1111 PolarHBondContact NH1-OG1 3.31Å; R740-T1111 PolarHBondContact NH2-OG1 3.37Å
741	L	74.3	Confident	84.3	Confident	33.3333 Å²	33.3333	50 Å²	50	18%	0.175	27%	0.265	C	S	.	.			trans	-73.8	127.4	171.8	-70.4	167.3	0	0	0	108.7	F597 W604 V735 L736 G737	F597-L741 HydrophobicContact CZ-CD1 4.17Å; W604-L741 HydrophobicContact CH2-CD1 4.04Å; W604-L741 HydrophobicContact CH2-CD2 3.86Å; W604-L741 HydrophobicContact CH2-CG 4.46Å; W604-L741 HydrophobicContact CZ2-CD1 3.95Å; W604-L741 HydrophobicContact CZ2-CD2 3.8Å; W604-L741 HydrophobicContact CZ2-CG 4.43Å; V735-L741 HydrophobicContact CG1-CB 4.36Å; V735-L741 HydrophobicContact CG1-CD2 3.92Å; L736-L741 WeakPolarHBondContact O-CA 3.31Å; G737-L741 WeakPolarHBondContact O-CD2 3.46Å; G737-L741 VanDerWaalsContact O-CG 3.28Å; G737-L741 WeakPolarHBondContact O-CG 3.38Å
742	G	78.4	Confident	84.3	Confident	31 Å²	31	50 Å²	50	32%	0.32	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132.4	174.9	0	0	0	0	0	110.4	V735 L736 R740	V735-G742 WeakPolarHBondContact CA-O 3.31Å; L736-G742 PolarHBondContact N-O 3.3Å; L736-G742 PolarHBondContact O-N 3.11Å; R740-G742 PolarHBondContact O-N 3.02Å
743	F	86.8	Confident	84.2	Confident	12.6667 Å²	12.6667	44.7 Å²	44.7	6%	0.056	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	132.3	167.3	178.9	-95.8	0	0	0	109.5	P586 L589 Y672 V674 Y687 A733 I734 V735	P586-F743 HydrophobicContact CG-CD1 4.22Å; P586-F743 HydrophobicContact CG-CD2 4.1Å; P586-F743 HydrophobicContact CG-CE1 4.23Å; P586-F743 HydrophobicContact CG-CE2 4.1Å; P586-F743 HydrophobicContact CG-CG 4.17Å; P586-F743 HydrophobicContact CG-CZ 4.18Å; L589-F743 HydrophobicContact CD1-CD2 3.88Å; L589-F743 HydrophobicContact CD1-CE2 3.76Å; L589-F743 HydrophobicContact CD2-CD2 3.93Å; L589-F743 HydrophobicContact CD2-CE2 4.1Å; Y672-F743 HydrophobicContact CD1-CE1 4.46Å; Y672-F743 HydrophobicContact CE1-CD1 4.06Å; Y672-F743 HydrophobicContact CE1-CE1 4.12Å; V674-F743 HydrophobicContact CG1-CD1 4.02Å; V674-F743 HydrophobicContact CG1-CE1 4.02Å; V674-F743 HydrophobicContact CG2-CE1 4.22Å; Y687-F743 AromaticContact CD1-CZ 3.94Å; Y687-F743 HydrophobicContact CD1-CZ 4.02Å; Y687-F743 HydrophobicContact CE1-CE1 4.33Å; Y687-F743 AromaticContact CE1-CE2 3.85Å; Y687-F743 HydrophobicContact CE1-CE2 3.85Å; Y687-F743 AromaticContact CE1-CZ 3.42Å; Y687-F743 HydrophobicContact CE1-CZ 3.42Å; Y687-F743 VanDerWaalsContact CE1-CZ 3.45Å; A733-F743 HydrophobicContact CB-CE2 3.8Å; A733-F743 HydrophobicContact CB-CZ 3.69Å; I734-F743 WeakPolarHBondContact O-CA 3.31Å; V735-F743 HydrophobicContact CG2-CB 4.42Å; V735-F743 HydrophobicContact CG2-CD2 4.28Å
744	D	89.9	Confident	84.2	Confident	30 Å²	30	45.8 Å²	45.8	16%	0.16	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	165.6	-178	-157.8	15.9	0	0	0	112.7	R675 A733 I734	R675-D744 IonicContact CZ-OD1 3.05Å; R675-D744 IonicContact CZ-OD2 3.49Å; R675-D744 IonicContact NE-OD1 2.8Å; R675-D744 PolarHBondContact NE-OD1 3.19Å; R675-D744 IonicContact NE-OD2 2.76Å; R675-D744 PolarHBondContact NE-OD2 3.06Å; R675-D744 IonicContact NH2-OD1 2.87Å; R675-D744 PolarHBondContact NH2-OD1 3.03Å; R675-D744 IonicContact NH2-OD2 3.62Å; R675-D744 PolarHBondContact NH2-OD2 3.22Å; A733-D744 WeakPolarHBondContact CA-O 3.38Å; I734-D744 HydrophobicContact CG1-CB 4.33Å; I734-D744 PolarHBondContact N-O 3.26Å; I734-D744 PolarHBondContact O-N 3.34Å
745	L	91.6	Very high	84.3	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.1	176.6	-68.8	172.3	0	0	0	111.6	L612 F617 V674 I684 A731 A733 V750	L612-L745 HydrophobicContact CD1-CD2 4.01Å; F617-L745 HydrophobicContact CD1-CD1 3.79Å; F617-L745 HydrophobicContact CE1-CD1 3.95Å; V674-L745 HydrophobicContact CB-CD1 4.37Å; V674-L745 HydrophobicContact CG1-CB 4.41Å; V674-L745 HydrophobicContact CG1-CD1 4.1Å; V674-L745 HydrophobicContact CG1-CG 3.88Å; V674-L745 HydrophobicContact CG2-CD1 3.77Å; V674-L745 HydrophobicContact CG2-CG 4.28Å; I684-L745 HydrophobicContact CB-CD1 4.21Å; I684-L745 HydrophobicContact CD1-CD1 3.94Å; I684-L745 HydrophobicContact CD1-CD2 4.08Å; I684-L745 HydrophobicContact CG1-CD1 4.49Å; A731-L745 HydrophobicContact CB-CD2 4.02Å; A733-L745 HydrophobicContact CB-CD2 3.87Å; L745-V750 HydrophobicContact CB-CG1 4.23Å; L745-V750 HydrophobicContact CB-CG2 4.1Å
746	I	90.6	Very high	84.6	Confident	89 Å²	89	49 Å²	49	46%	0.456	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.6	171.1	-63.3	-170.4	0	0	0	110.1	Y732 I734	Y732-I746 WeakPolarHBondContact CB-O 3.29Å; Y732-I746 PolarHBondContact N-O 3.44Å; Y732-I746 PolarHBondContact O-N 3.35Å; I734-I746 HydrophobicContact CD1-CB 4.37Å; I734-I746 HydrophobicContact CD1-CD1 3.41Å; I734-I746 VanDerWaalsContact CD1-CD1 3.44Å; I734-I746 HydrophobicContact CD1-CG1 3.67Å
747	G	89.7	Confident	85.2	Confident	13 Å²	13	45.2 Å²	45.2	13%	0.134	24%	0.242	C	C	.	.	S	Bend	trans	172	158.4	173.7	0	0	0	0	0	111.4	D749 V750 T751	G747-D749 VanDerWaalsContact C-N 3.27Å; G747-D749 PolarHBondContact O-N 3.22Å; G747-V750 WeakPolarHBondContact O-CB 3.39Å; G747-V750 PolarHBondContact O-N 3.11Å; G747-T751 PolarHBondContact O-N 3.19Å; G747-T751 VanDerWaalsContact O-N 3.08Å; G747-T751 PolarHBondContact O-OG1 2.9Å
748	D	90.8	Very high	85.8	Confident	75 Å²	75	49.7 Å²	49.7	40%	0.401	25%	0.245	S	C	.	.	H	α-helix	trans	-59.1	-42.7	177.5	-67.5	-33.6	0	0	0	110.7	V750 T751 Y752 Y790 P791	D748-V750 VanDerWaalsContact C-N 3.32Å; D748-V750 PolarHBondContact O-N 3.23Å; D748-T751 PolarHBondContact O-N 2.99Å; D748-T751 PolarHBondContact O-OG1 3.41Å; D748-Y752 WeakPolarHBondContact O-CB 3.34Å; D748-Y752 PolarHBondContact O-N 3.19Å; D748-Y790 HydrophobicContact CB-CE1 4.25Å; D748-Y790 WeakPolarHBondContact CB-OH 3.42Å; D748-P791 HydrophobicContact CB-CG 4.43Å
749	D	92.9	Very high	86.8	Confident	14.6667 Å²	14.6667	41.6 Å²	41.6	8%	0.078	22%	0.218	C	C	.	.	H	α-helix	trans	-59.4	-40.6	174.8	-61.9	-39	0	0	0	112.4	F617 H727 T730 G747 T751 Y752 V753 Y790	F617-D749 HydrophobicContact CE2-CB 3.95Å; H727-D749 PolarHBondContact CD2-O 3.09Å; H727-D749 IonicContact CE1-OD1 2.97Å; H727-D749 WeakPolarHBondContact NE2-CB 3.18Å; H727-D749 IonicContact NE2-OD1 3.63Å; H727-D749 PolarHBondContact NE2-OD1 3.04Å; T730-D749 WeakPolarHBondContact CA-OD2 3.43Å; T730-D749 PolarHBondContact N-OD2 2.92Å; T730-D749 WeakPolarHBondContact O-CB 3.43Å; T730-D749 PolarHBondContact OG1-OD2 2.94Å; G747-D749 VanDerWaalsContact C-N 3.27Å; G747-D749 PolarHBondContact O-N 3.22Å; D749-T751 PolarHBondContact O-N 3.29Å; D749-Y752 WeakPolarHBondContact O-CB 3.41Å; D749-Y752 PolarHBondContact O-N 3.15Å; D749-V753 WeakPolarHBondContact O-CG2 3.41Å; D749-V753 PolarHBondContact O-N 3.18Å; D749-Y790 PolarHBondContact N-OH 2.81Å; D749-Y790 WeakPolarHBondContact OD1-CE2 3.35Å; D749-Y790 PolarHBondContact OD1-OH 3.42Å
750	V	91.5	Very high	87.7	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.03	19%	0.186	C	C	.	.	H	α-helix	trans	-64.4	-46.3	176.8	-173	0	0	0	0	110.3	F617 L682 A731 L745 G747 D748 Y752 V753 S754	F617-V750 HydrophobicContact CD1-CG2 4.43Å; F617-V750 HydrophobicContact CE1-CG2 4.13Å; F617-V750 HydrophobicContact CE2-CG2 4.3Å; F617-V750 HydrophobicContact CZ-CG2 4.07Å; L682-V750 HydrophobicContact CD2-CG1 4.44Å; A731-V750 HydrophobicContact CB-CG2 3.61Å; L745-V750 HydrophobicContact CB-CG1 4.23Å; L745-V750 HydrophobicContact CB-CG2 4.1Å; G747-V750 WeakPolarHBondContact O-CB 3.39Å; G747-V750 PolarHBondContact O-N 3.11Å; D748-V750 VanDerWaalsContact C-N 3.32Å; D748-V750 PolarHBondContact O-N 3.23Å; V750-Y752 VanDerWaalsContact C-N 3.27Å; V750-Y752 PolarHBondContact O-N 3.25Å; V750-V753 PolarHBondContact O-N 3.24Å; V750-V753 VanDerWaalsContact O-N 3.16Å; V750-S754 PolarHBondContact O-N 3.18Å; V750-S754 VanDerWaalsContact O-N 3.14Å; V750-S754 PolarHBondContact O-OG 3.3Å
751	T	90.7	Very high	88.2	Confident	57.6667 Å²	57.6667	36.8 Å²	36.8	35%	0.354	19%	0.186	S	C	.	.	H	α-helix	trans	-65.6	-31.7	176.1	45.2	0	0	0	0	112.1	G747 D748 D749 R755	G747-T751 PolarHBondContact O-N 3.19Å; G747-T751 VanDerWaalsContact O-N 3.08Å; G747-T751 PolarHBondContact O-OG1 2.9Å; D748-T751 PolarHBondContact O-N 2.99Å; D748-T751 PolarHBondContact O-OG1 3.41Å; D749-T751 PolarHBondContact O-N 3.29Å; T751-R755 WeakPolarHBondContact O-CB 3.36Å; T751-R755 WeakPolarHBondContact O-CD 3.26Å; T751-R755 VanDerWaalsContact O-CG 3.27Å; T751-R755 WeakPolarHBondContact O-CG 3.28Å; T751-R755 PolarHBondContact O-N 3.18Å; T751-R755 VanDerWaalsContact O-N 3.15Å
752	Y	91.7	Very high	88.4	Confident	0.333333 Å²	0.333333	39 Å²	39	0%	0.001	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-41	172.8	175.2	-93.8	0	0	0	111.1	H727 D748 D749 V750 R755 L756 F788 Y790 M812	H727-Y752 HydrophobicContact CB-CD1 4.19Å; H727-Y752 HydrophobicContact CB-CE1 4.24Å; H727-Y752 AromaticContact CD2-CD1 3.64Å; H727-Y752 AromaticContact CG-CD1 3.68Å; H727-Y752 AromaticContact CG-CE1 3.87Å; H727-Y752 AromaticContact ND1-CD1 3.9Å; H727-Y752 AromaticContact ND1-CE1 3.82Å; H727-Y752 AromaticContact NE2-CD1 3.88Å; D748-Y752 WeakPolarHBondContact O-CB 3.34Å; D748-Y752 PolarHBondContact O-N 3.19Å; D749-Y752 WeakPolarHBondContact O-CB 3.41Å; D749-Y752 PolarHBondContact O-N 3.15Å; V750-Y752 VanDerWaalsContact C-N 3.27Å; V750-Y752 PolarHBondContact O-N 3.25Å; Y752-R755 PolarHBondContact O-N 3.34Å; Y752-L756 HydrophobicContact CE1-CB 4.48Å; Y752-L756 HydrophobicContact CE1-CD2 4.05Å; Y752-L756 VanDerWaalsContact O-CB 3.23Å; Y752-L756 WeakPolarHBondContact O-CB 3.42Å; Y752-L756 PolarHBondContact O-N 3.08Å; Y752-F788 HydrophobicContact CD2-CD1 4.16Å; Y752-F788 HydrophobicContact CE2-CB 4.4Å; Y752-F788 AromaticContact CE2-CD1 3.72Å; Y752-F788 HydrophobicContact CE2-CD1 3.72Å; Y752-F788 HydrophobicContact CE2-CG 4.49Å; Y752-Y790 HydrophobicContact CD1-CD2 4.42Å; Y752-Y790 AromaticContact CD2-CD2 3.68Å; Y752-Y790 HydrophobicContact CD2-CD2 3.68Å; Y752-Y790 HydrophobicContact CD2-CE2 4.38Å; Y752-Y790 HydrophobicContact CD2-CG 4.34Å; Y752-Y790 AromaticContact CE2-CD2 3.98Å; Y752-Y790 HydrophobicContact CE2-CD2 4.06Å; Y752-Y790 AromaticContact CG-CD2 3.87Å; Y752-Y790 HydrophobicContact CG-CD2 3.95Å; Y752-Y790 HydrophobicContact CG-CE2 4.19Å; Y752-M812 HydrophobicContact CE1-SD 3.9Å; Y752-M812 HydrophobicContact CE2-CB 4.32Å; Y752-M812 HydrophobicContact CE2-SD 4.46Å; Y752-M812 WeakPolarHBondContact OH-CB 3.36Å; Y752-M812 WeakPolarHBondContact OH-CG 3.28Å
753	V	92.2	Very high	88.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-51.8	176.9	-163.6	0	0	0	0	111.1	F617 S725 H727 D749 V750 R755 L756 K757	F617-V753 HydrophobicContact CB-CB 4.49Å; F617-V753 HydrophobicContact CB-CG1 4.46Å; F617-V753 HydrophobicContact CB-CG2 3.79Å; F617-V753 HydrophobicContact CD2-CG2 3.8Å; F617-V753 HydrophobicContact CG-CG2 4.21Å; S725-V753 PolarHBondContact OG-O 3.22Å; H727-V753 HydrophobicContact CB-CG2 3.67Å; D749-V753 WeakPolarHBondContact O-CG2 3.41Å; D749-V753 PolarHBondContact O-N 3.18Å; V750-V753 PolarHBondContact O-N 3.24Å; V750-V753 VanDerWaalsContact O-N 3.16Å; V753-R755 PolarHBondContact O-N 3.02Å; V753-R755 VanDerWaalsContact O-N 3.11Å; V753-L756 WeakPolarHBondContact O-CB 3.42Å; V753-L756 PolarHBondContact O-N 3.29Å; V753-L756 VanDerWaalsContact O-N 3.08Å; V753-K757 PolarHBondContact O-N 3.09Å; V753-K757 VanDerWaalsContact O-N 3.09Å
754	S	89.9	Confident	87.6	Confident	23 Å²	23	44.7 Å²	44.7	16%	0.161	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-25.5	178.7	-59.9	0	0	0	0	113	E680 V750 Y758	E680-S754 VanDerWaalsContact OE1-CB 3.25Å; E680-S754 WeakPolarHBondContact OE1-CB 3.38Å; E680-S754 PolarHBondContact OE1-OG 3.19Å; V750-S754 PolarHBondContact O-N 3.18Å; V750-S754 VanDerWaalsContact O-N 3.14Å; V750-S754 PolarHBondContact O-OG 3.3Å; S754-Y758 WeakPolarHBondContact O-CE2 3.39Å
755	R	89.8	Confident	87.5	Confident	93.6667 Å²	93.6667	46.2 Å²	46.2	35%	0.353	23%	0.229	S	C	.	.	H	α-helix	trans	-84	-41.2	172.5	-73.4	174.5	178.7	167.7	3.7	113.2	T751 Y752 V753 K757 Y758 F788 T1113 T1114	T751-R755 WeakPolarHBondContact O-CB 3.36Å; T751-R755 WeakPolarHBondContact O-CD 3.26Å; T751-R755 VanDerWaalsContact O-CG 3.27Å; T751-R755 WeakPolarHBondContact O-CG 3.28Å; T751-R755 PolarHBondContact O-N 3.18Å; T751-R755 VanDerWaalsContact O-N 3.15Å; Y752-R755 PolarHBondContact O-N 3.34Å; V753-R755 PolarHBondContact O-N 3.02Å; V753-R755 VanDerWaalsContact O-N 3.11Å; R755-K757 PolarHBondContact O-N 3.27Å; R755-Y758 PolarHBondContact O-N 3.1Å; R755-F788 HydrophobicContact CB-CE1 3.84Å; R755-F788 HydrophobicContact CB-CZ 3.93Å; R755-T1113 PolarHBondContact NH2-OG1 3.08Å; R755-T1114 PolarHBondContact NE-OG1 3.44Å; R755-T1114 PolarHBondContact NH2-OG1 2.89Å
756	L	90.4	Very high	87.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-56.4	-35.3	177	179.3	65.1	0	0	0	111.2	H727 Y752 V753 Y758 A759 A760 L767 F788 T814	H727-L756 HydrophobicContact CB-CD2 4.45Å; Y752-L756 HydrophobicContact CE1-CB 4.48Å; Y752-L756 HydrophobicContact CE1-CD2 4.05Å; Y752-L756 VanDerWaalsContact O-CB 3.23Å; Y752-L756 WeakPolarHBondContact O-CB 3.42Å; Y752-L756 PolarHBondContact O-N 3.08Å; V753-L756 WeakPolarHBondContact O-CB 3.42Å; V753-L756 PolarHBondContact O-N 3.29Å; V753-L756 VanDerWaalsContact O-N 3.08Å; L756-Y758 PolarHBondContact O-N 3.37Å; L756-A759 WeakPolarHBondContact O-CA 3.23Å; L756-A759 WeakPolarHBondContact O-CB 3.45Å; L756-A759 PolarHBondContact O-N 3.21Å; L756-A760 PolarHBondContact O-N 3.25Å; L756-L767 HydrophobicContact CD1-CD2 3.62Å; L756-L767 HydrophobicContact CD1-CG 3.99Å; L756-L767 HydrophobicContact CG-CD2 4.03Å; L756-L767 HydrophobicContact CG-CG 4.23Å; L756-F788 HydrophobicContact CD1-CB 4.41Å; L756-F788 HydrophobicContact CD1-CG 4.46Å; L756-T814 HydrophobicContact CD1-CG2 3.57Å
757	K	89.8	Confident	87.7	Confident	3.66667 Å²	3.66667	41.8 Å²	41.8	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-45.6	-41.5	170	-172.4	178.7	59.2	143.8	0	114.4	S619 E621 N679 R723 S725 V753 R755 A759 A760	S619-K757 WeakPolarHBondContact OG-CD 3.45Å; E621-K757 HydrophobicContact CB-CD 3.67Å; E621-K757 HydrophobicContact CB-CG 4.37Å; E621-K757 VanDerWaalsContact OE2-CE 3.26Å; E621-K757 WeakPolarHBondContact OE2-CE 3.4Å; E621-K757 IonicContact OE2-NZ 2.95Å; E621-K757 PolarHBondContact OE2-NZ 3.2Å; N679-K757 PolarHBondContact O-NZ 3.13Å; R723-K757 HydrophobicContact CB-CG 4.5Å; S725-K757 WeakPolarHBondContact OG-CA 3.31Å; S725-K757 WeakPolarHBondContact OG-CB 3.46Å; S725-K757 PolarHBondContact OG-N 3.22Å; V753-K757 PolarHBondContact O-N 3.09Å; V753-K757 VanDerWaalsContact O-N 3.09Å; R755-K757 PolarHBondContact O-N 3.27Å; K757-A759 VanDerWaalsContact C-N 3.27Å; K757-A759 PolarHBondContact O-N 2.94Å; K757-A760 VanDerWaalsContact O-CB 3.31Å; K757-A760 WeakPolarHBondContact O-CB 3.28Å; K757-A760 PolarHBondContact O-N 3.09Å; K757-A760 VanDerWaalsContact O-N 3.12Å
758	Y	86.2	Confident	87.9	Confident	141 Å²	141	41.2 Å²	41.2	55%	0.553	20%	0.201	S	C	*	.	H	α-helix	trans	-71.3	-22.1	179.2	-62	-64.3	0	0	0	113.1	S754 R755 L756 A760	S754-Y758 WeakPolarHBondContact O-CE2 3.39Å; R755-Y758 PolarHBondContact O-N 3.1Å; L756-Y758 PolarHBondContact O-N 3.37Å; Y758-A760 VanDerWaalsContact C-N 3.35Å
759	A	87.8	Confident	88.1	Confident	14.6667 Å²	14.6667	37.7 Å²	37.7	12%	0.121	18%	0.182	C	C	.	.	H	α-helix	trans	-84.9	-6.4	172.4	0	0	0	0	0	113.1	L756 K757 Y761 L767 P786 F788	L756-A759 WeakPolarHBondContact O-CA 3.23Å; L756-A759 WeakPolarHBondContact O-CB 3.45Å; L756-A759 PolarHBondContact O-N 3.21Å; K757-A759 VanDerWaalsContact C-N 3.27Å; K757-A759 PolarHBondContact O-N 2.94Å; A759-Y761 VanDerWaalsContact O-CD1 3.27Å; A759-Y761 WeakPolarHBondContact O-CD1 3.44Å; A759-Y761 PolarHBondContact O-N 3.12Å; A759-L767 VanDerWaalsContact C-CD2 3.45Å; A759-L767 HydrophobicContact CB-CD2 3.92Å; A759-L767 WeakPolarHBondContact O-CD2 3.43Å; A759-P786 HydrophobicContact CB-CG 3.87Å; A759-F788 HydrophobicContact CB-CD2 3.89Å; A759-F788 HydrophobicContact CB-CE2 4.06Å
760	A	85.9	Confident	88	Confident	1.66667 Å²	1.66667	41.3 Å²	41.3	1%	0.014	19%	0.194	C	C	.	.			trans	-79	60.4	174.9	0	0	0	0	0	111.3	R723 L756 K757 Y758 R762 L767	R723-A760 HydrophobicContact CB-CB 4.28Å; R723-A760 WeakPolarHBondContact CD-O 3.4Å; R723-A760 VanDerWaalsContact CG-O 3.3Å; R723-A760 WeakPolarHBondContact CG-O 3.37Å; L756-A760 PolarHBondContact O-N 3.25Å; K757-A760 VanDerWaalsContact O-CB 3.31Å; K757-A760 WeakPolarHBondContact O-CB 3.28Å; K757-A760 PolarHBondContact O-N 3.09Å; K757-A760 VanDerWaalsContact O-N 3.12Å; Y758-A760 VanDerWaalsContact C-N 3.35Å; A760-R762 VanDerWaalsContact C-N 3.33Å; A760-R762 PolarHBondContact O-N 3.1Å; A760-L767 HydrophobicContact CB-CB 3.7Å; A760-L767 HydrophobicContact CB-CD2 4.01Å
761	Y	81	Confident	88.1	Confident	131 Å²	131	42.4 Å²	42.4	51%	0.514	20%	0.203	S	C	.	.			trans	-80.3	-10.9	-173.3	73	-91.6	0	0	0	114.6	A759 P786 F816	A759-Y761 VanDerWaalsContact O-CD1 3.27Å; A759-Y761 WeakPolarHBondContact O-CD1 3.44Å; A759-Y761 PolarHBondContact O-N 3.12Å; Y761-P786 HydrophobicContact CE1-CG 4.44Å; Y761-F816 HydrophobicContact CD1-CZ 4.17Å; Y761-F816 HydrophobicContact CE1-CE2 4.16Å; Y761-F816 AromaticContact CE1-CZ 3.93Å; Y761-F816 HydrophobicContact CE1-CZ 3.93Å
762	R	77.9	Confident	88.2	Confident	79.3333 Å²	79.3333	39.7 Å²	39.7	30%	0.299	19%	0.186	S	C	.	.	S	Bend	trans	-91.4	125.1	-179.9	-62.7	-171.7	-176	-165.7	3.1	110.2	A760 R765 E783 F816	A760-R762 VanDerWaalsContact C-N 3.33Å; A760-R762 PolarHBondContact O-N 3.1Å; R762-R765 HydrophobicContact CB-CB 4.2Å; R762-R765 HydrophobicContact CB-CG 4.14Å; R762-E783 IonicContact CZ-OE2 3.14Å; R762-E783 IonicContact NH1-OE2 3.27Å; R762-E783 PolarHBondContact NH1-OE2 2.85Å; R762-F816 HydrophobicContact CB-CD1 4.27Å; R762-F816 HydrophobicContact CB-CE1 3.87Å; R762-F816 HydrophobicContact CB-CZ 4.12Å; R762-F816 HydrophobicContact CG-CD1 4.42Å; R762-F816 HydrophobicContact CG-CD2 4.44Å; R762-F816 HydrophobicContact CG-CE1 4.04Å; R762-F816 HydrophobicContact CG-CE2 4.03Å; R762-F816 HydrophobicContact CG-CZ 3.76Å
763	P	73.3	Confident	88.2	Confident	78.6667 Å²	78.6667	42 Å²	42	51%	0.511	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	159.8	175.7	28.6	-35.1	0	0	0	111.8	E721 R765	E721-P763 HydrophobicContact CG-CB 4.5Å; P763-R765 PolarHBondContact O-N 3.21Å; P763-R765 VanDerWaalsContact O-N 3.12Å
764	C	76	Confident	88.2	Confident	86 Å²	86	47 Å²	47	58%	0.581	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	28.1	176	-56.6	0	0	0	0	115
765	R	88	Confident	88.3	Confident	60.3333 Å²	60.3333	49.3 Å²	49.3	23%	0.228	23%	0.231	C	C	.	.			trans	-140	140	-179.4	-69.6	-168.8	175.1	-111.3	0.7	110.7	R762 P763 E783 F816	R762-R765 HydrophobicContact CB-CB 4.2Å; R762-R765 HydrophobicContact CB-CG 4.14Å; P763-R765 PolarHBondContact O-N 3.21Å; P763-R765 VanDerWaalsContact O-N 3.12Å; R765-E783 IonicContact CZ-OE1 3.66Å; R765-E783 IonicContact CZ-OE2 2.75Å; R765-E783 IonicContact NE-OE1 2.68Å; R765-E783 PolarHBondContact NE-OE1 2.99Å; R765-E783 IonicContact NH1-OE1 3.56Å; R765-E783 PolarHBondContact NH1-OE1 2.98Å; R765-E783 IonicContact NH1-OE2 3.76Å; R765-E783 PolarHBondContact NH1-OE2 3.02Å; R765-E783 IonicContact NH2-OE1 3.42Å; R765-E783 PolarHBondContact NH2-OE1 3.3Å; R765-E783 IonicContact NH2-OE2 2.75Å; R765-F816 HydrophobicContact CB-CB 4.28Å; R765-F816 HydrophobicContact CB-CD1 3.91Å; R765-F816 HydrophobicContact CB-CG 4.38Å; R765-F816 HydrophobicContact CG-CB 4.43Å
766	V	93	Very high	88.3	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.8	172.6	-178.3	0	0	0	0	108.7	L703 L706 V724 V726 T768 F816 V817	L703-V766 HydrophobicContact CD2-CG2 4.03Å; L703-V766 HydrophobicContact CG-CG2 4.15Å; L706-V766 HydrophobicContact CD1-CG2 3.65Å; V724-V766 HydrophobicContact CB-CG2 4.46Å; V724-V766 HydrophobicContact CG1-CG1 4.15Å; V724-V766 HydrophobicContact CG1-CG2 4.41Å; V726-V766 HydrophobicContact CB-CG1 4.38Å; V726-V766 HydrophobicContact CG2-CG1 3.61Å; V766-T768 HydrophobicContact CG1-CG2 4.03Å; V766-F816 WeakPolarHBondContact O-CA 3.39Å; V766-V817 PolarHBondContact N-O 3.42Å; V766-V817 PolarHBondContact O-N 3.17Å
767	L	94.3	Very high	88.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	118.8	173.6	-176.6	58.4	0	0	0	110.2	V724 S725 V726 L756 A759 A760 F816	V724-L767 PolarHBondContact O-N 3.01Å; S725-L767 CarbonylContact C-O 3.53Å; S725-L767 VanDerWaalsContact CA-O 3.25Å; S725-L767 WeakPolarHBondContact CA-O 3.23Å; V726-L767 PolarHBondContact N-O 3.13Å; L756-L767 HydrophobicContact CD1-CD2 3.62Å; L756-L767 HydrophobicContact CD1-CG 3.99Å; L756-L767 HydrophobicContact CG-CD2 4.03Å; L756-L767 HydrophobicContact CG-CG 4.23Å; A759-L767 VanDerWaalsContact C-CD2 3.45Å; A759-L767 HydrophobicContact CB-CD2 3.92Å; A759-L767 WeakPolarHBondContact O-CD2 3.43Å; A760-L767 HydrophobicContact CB-CB 3.7Å; A760-L767 HydrophobicContact CB-CD2 4.01Å; L767-F816 HydrophobicContact CB-CD1 4.13Å; L767-F816 HydrophobicContact CB-CE1 3.98Å; L767-F816 HydrophobicContact CD1-CD1 3.92Å; L767-F816 HydrophobicContact CD1-CD2 4.28Å; L767-F816 HydrophobicContact CD1-CE1 3.85Å; L767-F816 HydrophobicContact CD1-CE2 4.21Å; L767-F816 HydrophobicContact CD1-CG 4.14Å; L767-F816 HydrophobicContact CD1-CZ 4Å; L767-F816 HydrophobicContact CD2-CE1 4.46Å; L767-F816 HydrophobicContact CD2-CZ 4.49Å; L767-F816 HydrophobicContact CG-CE1 4.31Å
768	T	94	Very high	87.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	149.5	-177.5	68.1	0	0	0	0	111.5	I699 V726 V766 T772 T814 Y815 V817	I699-T768 HydrophobicContact CD1-CG2 3.59Å; I699-T768 HydrophobicContact CG1-CG2 4.26Å; V726-T768 HydrophobicContact CB-CG2 4.46Å; V726-T768 VanDerWaalsContact O-CA 3.31Å; V726-T768 WeakPolarHBondContact O-CA 3.25Å; V766-T768 HydrophobicContact CG1-CG2 4.03Å; T768-T772 HydrophobicContact CG2-CG2 4.44Å; T768-T814 CarbonylContact O-C 3.53Å; T768-T814 WeakPolarHBondContact O-CA 3.31Å; T768-T814 VanDerWaalsContact O-CB 3.3Å; T768-T814 WeakPolarHBondContact O-CB 3.34Å; T768-Y815 WeakPolarHBondContact CB-O 3.48Å; T768-Y815 PolarHBondContact N-O 3.35Å; T768-Y815 PolarHBondContact O-N 3.19Å; T768-Y815 PolarHBondContact OG1-O 3.07Å; T768-V817 HydrophobicContact CG2-CB 4.27Å; T768-V817 HydrophobicContact CG2-CG2 3.6Å
769	S	93.3	Very high	87	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	161.2	168.2	74.5	0	0	0	0	112	V726 H727 S771 T772 F773	V726-S769 PolarHBondContact O-N 3.14Å; V726-S769 VanDerWaalsContact O-N 3.14Å; H727-S769 WeakPolarHBondContact CA-OG 3.4Å; H727-S769 VanDerWaalsContact ND1-CB 3.3Å; H727-S769 WeakPolarHBondContact ND1-CB 3.37Å; H727-S769 PolarHBondContact ND1-OG 2.85Å; S769-S771 VanDerWaalsContact C-N 3.26Å; S769-S771 PolarHBondContact O-N 3.15Å; S769-S771 PolarHBondContact OG-OG 3.35Å; S769-T772 PolarHBondContact N-OG1 3.31Å; S769-T772 WeakPolarHBondContact O-CA 3.47Å; S769-T772 VanDerWaalsContact O-CB 3.27Å; S769-T772 WeakPolarHBondContact O-CB 3.47Å; S769-T772 PolarHBondContact O-N 3.1Å; S769-T772 VanDerWaalsContact O-N 3.08Å; S769-T772 PolarHBondContact O-OG1 3.06Å; S769-T772 PolarHBondContact OG-N 3.13Å; S769-T772 PolarHBondContact OG-OG1 3.36Å; S769-F773 PolarHBondContact O-N 3.34Å
770	R	92.1	Very high	86.7	Confident	90.6667 Å²	90.6667	54.8 Å²	54.8	34%	0.342	29%	0.285	S	S	.	.	H	α-helix	trans	-56.3	-34.9	174.6	-172.1	66.6	-154.8	-131.1	11.4	114.1	F773 N774 M812 E813 Y815	R770-F773 PolarHBondContact O-N 3.15Å; R770-N774 PolarHBondContact NE-OD1 3.03Å; R770-N774 PolarHBondContact NH2-OD1 3.08Å; R770-N774 WeakPolarHBondContact O-CB 3.3Å; R770-N774 VanDerWaalsContact O-CG 3.23Å; R770-N774 PolarHBondContact O-N 3.06Å; R770-N774 VanDerWaalsContact O-N 3.08Å; R770-N774 PolarHBondContact O-ND2 2.93Å; R770-M812 HydrophobicContact CB-CE 4.24Å; R770-M812 HydrophobicContact CB-SD 4.17Å; R770-E813 HydrophobicContact CB-CB 4.14Å; R770-E813 WeakPolarHBondContact CB-O 3.45Å; R770-E813 WeakPolarHBondContact CD-OE2 3.25Å; R770-E813 HydrophobicContact CG-CB 4.49Å; R770-E813 IonicContact CZ-OE2 3.55Å; R770-E813 PolarHBondContact N-O 3.25Å; R770-E813 IonicContact NE-OE2 3.89Å; R770-E813 IonicContact NH1-OE2 3.51Å; R770-E813 PolarHBondContact NH1-OE2 3.21Å; R770-Y815 HydrophobicContact CB-CE2 4.27Å; R770-Y815 HydrophobicContact CG-CE2 4.37Å; R770-Y815 PolarHBondContact NH1-OH 3.25Å; R770-Y815 VanDerWaalsContact NH1-OH 3.12Å
771	S	92	Very high	86.7	Confident	29.6667 Å²	29.6667	62.5 Å²	62.5	21%	0.207	31%	0.314	C	S	.	.	H	α-helix	trans	-66.7	-40.1	177.3	53.4	0	0	0	0	111.4	H727 T728 S769 Q775 M812	H727-S771 PolarHBondContact CE1-OG 3.43Å; H727-S771 PolarHBondContact ND1-OG 3.12Å; H727-S771 VanDerWaalsContact ND1-OG 3.15Å; T728-S771 WeakPolarHBondContact O-CB 3.24Å; T728-S771 PolarHBondContact O-OG 3.09Å; T728-S771 VanDerWaalsContact OG1-C 3.28Å; T728-S771 VanDerWaalsContact OG1-CB 3.25Å; T728-S771 WeakPolarHBondContact OG1-CB 3.25Å; T728-S771 PolarHBondContact OG1-O 3.03Å; T728-S771 PolarHBondContact OG1-OG 3.27Å; S769-S771 VanDerWaalsContact C-N 3.26Å; S769-S771 PolarHBondContact O-N 3.15Å; S769-S771 PolarHBondContact OG-OG 3.35Å; S771-Q775 WeakPolarHBondContact O-CG 3.31Å; S771-M812 VanDerWaalsContact N-CE 3.31Å; S771-M812 VanDerWaalsContact OG-CE 3.3Å; S771-M812 WeakPolarHBondContact OG-CE 3.41Å
772	T	93.7	Very high	86.9	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-51.8	171.5	-24.5	0	0	0	0	111	T616 A695 I699 V726 H727 T728 T768 S769 N774 Q775 L776	T616-T772 HydrophobicContact CG2-CG2 4.02Å; A695-T772 HydrophobicContact CB-CG2 4.39Å; I699-T772 HydrophobicContact CD1-CG2 4.13Å; V726-T772 HydrophobicContact CB-CG2 4.35Å; V726-T772 HydrophobicContact CG1-CG2 3.75Å; V726-T772 PolarHBondContact O-OG1 3.27Å; H727-T772 VanDerWaalsContact CA-OG1 3.28Å; H727-T772 WeakPolarHBondContact CA-OG1 3.27Å; T728-T772 HydrophobicContact CG2-CG2 3.87Å; T728-T772 PolarHBondContact N-OG1 3.21Å; T728-T772 WeakPolarHBondContact OG1-CA 3.33Å; T728-T772 PolarHBondContact OG1-N 3.36Å; T728-T772 VanDerWaalsContact OG1-N 3.11Å; T768-T772 HydrophobicContact CG2-CG2 4.44Å; S769-T772 PolarHBondContact N-OG1 3.31Å; S769-T772 WeakPolarHBondContact O-CA 3.47Å; S769-T772 VanDerWaalsContact O-CB 3.27Å; S769-T772 WeakPolarHBondContact O-CB 3.47Å; S769-T772 PolarHBondContact O-N 3.1Å; S769-T772 VanDerWaalsContact O-N 3.08Å; S769-T772 PolarHBondContact O-OG1 3.06Å; S769-T772 PolarHBondContact OG-N 3.13Å; S769-T772 PolarHBondContact OG-OG1 3.36Å; T772-N774 VanDerWaalsContact C-N 3.29Å; T772-N774 PolarHBondContact O-N 3.09Å; T772-Q775 WeakPolarHBondContact O-CA 3.4Å; T772-Q775 WeakPolarHBondContact O-CB 3.48Å; T772-Q775 PolarHBondContact O-N 3.24Å; T772-L776 WeakPolarHBondContact O-CG 3.27Å; T772-L776 PolarHBondContact O-N 3.42Å
773	F	92.7	Very high	87.5	Confident	49.6667 Å²	49.6667	56.6 Å²	56.6	22%	0.218	30%	0.303	C	S	.	.	H	α-helix	trans	-61.7	-37.4	-173.4	-169.2	-102.6	0	0	0	112.2	S769 R770 Q775 L776 Y815 V817	S769-F773 PolarHBondContact O-N 3.34Å; R770-F773 PolarHBondContact O-N 3.15Å; F773-Q775 PolarHBondContact O-N 3.07Å; F773-L776 HydrophobicContact CD2-CD1 4.01Å; F773-L776 HydrophobicContact CE2-CD1 4.49Å; F773-L776 PolarHBondContact O-N 3.14Å; F773-Y815 HydrophobicContact CB-CD2 4.14Å; F773-Y815 HydrophobicContact CB-CG 4.32Å; F773-Y815 HydrophobicContact CD1-CD1 4.33Å; F773-Y815 HydrophobicContact CD1-CD2 4.27Å; F773-Y815 HydrophobicContact CD1-CG 4.24Å; F773-Y815 HydrophobicContact CD2-CG 4.29Å; F773-Y815 HydrophobicContact CE1-CD1 4.42Å; F773-Y815 HydrophobicContact CG-CD1 4.46Å; F773-Y815 HydrophobicContact CG-CD2 4.25Å; F773-Y815 AromaticContact CG-CG 3.96Å; F773-Y815 HydrophobicContact CG-CG 4.01Å; F773-V817 HydrophobicContact CD2-CG2 4.03Å; F773-V817 HydrophobicContact CE2-CG2 4.29Å
774	N	91.6	Very high	88.2	Confident	103.333 Å²	103.333	56.5 Å²	56.5	55%	0.553	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-13.7	174.7	-71.9	-9	0	0	0	114.4	R770 T772	R770-N774 PolarHBondContact NE-OD1 3.03Å; R770-N774 PolarHBondContact NH2-OD1 3.08Å; R770-N774 WeakPolarHBondContact O-CB 3.3Å; R770-N774 VanDerWaalsContact O-CG 3.23Å; R770-N774 PolarHBondContact O-N 3.06Å; R770-N774 VanDerWaalsContact O-N 3.08Å; R770-N774 PolarHBondContact O-ND2 2.93Å; T772-N774 VanDerWaalsContact C-N 3.29Å; T772-N774 PolarHBondContact O-N 3.09Å
775	Q	91.1	Very high	88.7	Confident	71 Å²	71	53.3 Å²	53.3	33%	0.332	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	2	179.4	-69.1	-179	-6.1	0	0	113.3	N614 H694 A695 T728 S771 T772 F773	N614-Q775 PolarHBondContact OD1-NE2 3.22Å; H694-Q775 PolarHBondContact CE1-OE1 2.74Å; H694-Q775 PolarHBondContact NE2-OE1 2.71Å; A695-Q775 HydrophobicContact CB-CB 3.72Å; T728-Q775 VanDerWaalsContact CB-OE1 3.29Å; T728-Q775 HydrophobicContact CG2-CG 4.46Å; T728-Q775 PolarHBondContact OG1-OE1 3.14Å; S771-Q775 WeakPolarHBondContact O-CG 3.31Å; T772-Q775 WeakPolarHBondContact O-CA 3.4Å; T772-Q775 WeakPolarHBondContact O-CB 3.48Å; T772-Q775 PolarHBondContact O-N 3.24Å; F773-Q775 PolarHBondContact O-N 3.07Å
776	L	90.3	Very high	88.7	Confident	24.3333 Å²	24.3333	52.4 Å²	52.4	13%	0.127	29%	0.292	C	S	.	.	S	Bend	trans	-84.6	143.5	178.3	-55.7	-179.3	0	0	0	111.1	A695 I699 T772 F773 F780 V817	A695-L776 HydrophobicContact CB-CD2 4.14Å; I699-L776 HydrophobicContact CD1-CD1 3.44Å; I699-L776 VanDerWaalsContact CD1-CD1 3.47Å; I699-L776 HydrophobicContact CD1-CD2 3.52Å; I699-L776 VanDerWaalsContact CD1-CD2 3.49Å; I699-L776 HydrophobicContact CD1-CG 4.07Å; I699-L776 HydrophobicContact CG1-CD2 4.42Å; T772-L776 WeakPolarHBondContact O-CG 3.27Å; T772-L776 PolarHBondContact O-N 3.42Å; F773-L776 HydrophobicContact CD2-CD1 4.01Å; F773-L776 HydrophobicContact CE2-CD1 4.49Å; F773-L776 PolarHBondContact O-N 3.14Å; L776-F780 HydrophobicContact CB-CB 4.47Å; L776-F780 HydrophobicContact CB-CD2 3.94Å; L776-F780 HydrophobicContact CD1-CB 4.18Å; L776-F780 HydrophobicContact CD1-CD2 4.4Å; L776-F780 HydrophobicContact CD1-CG 4.33Å; L776-V817 HydrophobicContact CD1-CG2 4.13Å
777	P	85.2	Confident	88.1	Confident	61 Å²	61	58.2 Å²	58.2	40%	0.396	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-66.2	154.9	171	29.9	-35.7	0	0	0	111.1	G779 F780	P777-G779 PolarHBondContact O-N 2.94Å; P777-F780 HydrophobicContact CG-CD2 4.03Å; P777-F780 HydrophobicContact CG-CE2 3.84Å
778	E	75.7	Confident	87.5	Confident	203.333 Å²	203.333	60.7 Å²	60.7	95%	0.95	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	136.9	174.2	-62	-176.8	177.5	0	0	111.2
779	G	77.2	Confident	86.5	Confident	61 Å²	61	62.9 Å²	62.9	63%	0.629	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.3	-22.5	-178.3	0	0	0	0	0	114.8	P777	P777-G779 PolarHBondContact O-N 2.94Å
780	F	82.9	Confident	85.5	Confident	19.3333 Å²	19.3333	65.8 Å²	65.8	9%	0.085	37%	0.366	C	S	.	.			trans	-73.3	130.1	167.3	-74.1	-75.5	0	0	0	110.8	R696 I699 D700 L703 L776 P777 V817 R820	R696-F780 HydrophobicContact CG-CE2 4.07Å; R696-F780 HydrophobicContact CG-CZ 4.11Å; I699-F780 HydrophobicContact CG2-CD1 4.47Å; I699-F780 HydrophobicContact CG2-CE1 3.99Å; I699-F780 HydrophobicContact CG2-CZ 4.4Å; D700-F780 VanDerWaalsContact OD1-CZ 3.3Å; D700-F780 WeakPolarHBondContact OD1-CZ 3.46Å; L703-F780 HydrophobicContact CD1-CE1 4.38Å; L776-F780 HydrophobicContact CB-CB 4.47Å; L776-F780 HydrophobicContact CB-CD2 3.94Å; L776-F780 HydrophobicContact CD1-CB 4.18Å; L776-F780 HydrophobicContact CD1-CD2 4.4Å; L776-F780 HydrophobicContact CD1-CG 4.33Å; P777-F780 HydrophobicContact CG-CD2 4.03Å; P777-F780 HydrophobicContact CG-CE2 3.84Å; F780-V817 HydrophobicContact CB-CG1 4.4Å; F780-V817 HydrophobicContact CD1-CG1 3.93Å; F780-V817 HydrophobicContact CG-CG1 4.48Å; F780-R820 HydrophobicContact CD1-CG 4.37Å; F780-R820 HydrophobicContact CE1-CG 4.27Å
781	R	84.7	Confident	84.1	Confident	164.333 Å²	164.333	62.5 Å²	62.5	62%	0.62	36%	0.356	S	S	*	.			trans	-97.7	125.9	176.3	-67.1	-177	177.9	-176.9	0.1	110.2	V817 Q818	R781-V817 WeakPolarHBondContact O-CA 3.4Å; R781-Q818 HydrophobicContact CB-CB 4.42Å; R781-Q818 PolarHBondContact O-N 3.21Å
782	G	85.7	Confident	82.2	Confident	31 Å²	31	65.4 Å²	65.4	32%	0.32	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.6	174.8	0	0	0	0	0	111.8	F816	G782-F816 CarbonylContact C-O 3.45Å; G782-F816 WeakPolarHBondContact CA-O 3.41Å
783	E	89.7	Confident	80	Confident	55.6667 Å²	55.6667	68.8 Å²	68.8	26%	0.26	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	145.9	163.8	-70.7	169.4	-138.6	0	0	109.6	R762 R765 G785 Y815 F816 Q818	R762-E783 IonicContact CZ-OE2 3.14Å; R762-E783 IonicContact NH1-OE2 3.27Å; R762-E783 PolarHBondContact NH1-OE2 2.85Å; R765-E783 IonicContact CZ-OE1 3.66Å; R765-E783 IonicContact CZ-OE2 2.75Å; R765-E783 IonicContact NE-OE1 2.68Å; R765-E783 PolarHBondContact NE-OE1 2.99Å; R765-E783 IonicContact NH1-OE1 3.56Å; R765-E783 PolarHBondContact NH1-OE1 2.98Å; R765-E783 IonicContact NH1-OE2 3.76Å; R765-E783 PolarHBondContact NH1-OE2 3.02Å; R765-E783 IonicContact NH2-OE1 3.42Å; R765-E783 PolarHBondContact NH2-OE1 3.3Å; R765-E783 IonicContact NH2-OE2 2.75Å; E783-G785 PolarHBondContact O-N 3.07Å; E783-Y815 CarbonylContact O-C 3.52Å; E783-Y815 VanDerWaalsContact O-CA 3.24Å; E783-Y815 WeakPolarHBondContact O-CA 3.36Å; E783-F816 HydrophobicContact CB-CB 4.37Å; E783-F816 PolarHBondContact N-O 3Å; E783-F816 PolarHBondContact O-N 2.94Å; E783-Q818 PolarHBondContact OE1-NE2 2.99Å
784	A	89.2	Confident	77.5	Confident	76.6667 Å²	76.6667	74.2 Å²	74.2	63%	0.634	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.1	128.7	174.8	0	0	0	0	0	111.4
785	G	86.8	Confident	75	Confident	17.3333 Å²	17.3333	75.7 Å²	75.7	18%	0.179	43%	0.428	C	S	.	.			trans	-99.5	-179	176.2	0	0	0	0	0	113	E783 I787 T814	E783-G785 PolarHBondContact O-N 3.07Å; G785-I787 PolarHBondContact O-N 3.08Å; G785-T814 VanDerWaalsContact C-OG1 3.23Å; G785-T814 WeakPolarHBondContact CA-O 3.4Å; G785-T814 WeakPolarHBondContact CA-OG1 3.42Å; G785-T814 PolarHBondContact N-O 3.28Å
786	P	86.6	Confident	72.7	Confident	42.6667 Å²	42.6667	78.9 Å²	78.9	28%	0.277	45%	0.446	S	S	.	.			trans	-64.7	133.7	177.5	27.7	-34.6	0	0	0	111.4	A759 Y761 F788 T814	A759-P786 HydrophobicContact CB-CG 3.87Å; Y761-P786 HydrophobicContact CE1-CG 4.44Å; P786-F788 PolarHBondContact O-N 3.15Å; P786-T814 WeakPolarHBondContact CD-OG1 3.24Å; P786-T814 VanDerWaalsContact O-CG2 3.31Å; P786-T814 WeakPolarHBondContact O-CG2 3.38Å; P786-T814 PolarHBondContact O-OG1 3.19Å
787	I	81.6	Confident	70.1	Confident	121.333 Å²	121.333	82.5 Å²	82.5	62%	0.622	47%	0.471	S	S	*	.			trans	-66.9	117.7	174.4	-60.1	173.5	0	0	0	108.4	G785 T811	G785-I787 PolarHBondContact O-N 3.08Å; I787-T811 VanDerWaalsContact CG2-CB 3.48Å; I787-T811 HydrophobicContact CG2-CG2 3.84Å
788	F	80.4	Confident	68.1	Low	53.3333 Å²	53.3333	84.3 Å²	84.3	23%	0.234	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	139.3	-175.6	-154.9	-98.3	0	0	0	111.3	Y752 R755 L756 A759 P786 Y790 M812 T814	Y752-F788 HydrophobicContact CD2-CD1 4.16Å; Y752-F788 HydrophobicContact CE2-CB 4.4Å; Y752-F788 AromaticContact CE2-CD1 3.72Å; Y752-F788 HydrophobicContact CE2-CD1 3.72Å; Y752-F788 HydrophobicContact CE2-CG 4.49Å; R755-F788 HydrophobicContact CB-CE1 3.84Å; R755-F788 HydrophobicContact CB-CZ 3.93Å; L756-F788 HydrophobicContact CD1-CB 4.41Å; L756-F788 HydrophobicContact CD1-CG 4.46Å; A759-F788 HydrophobicContact CB-CD2 3.89Å; A759-F788 HydrophobicContact CB-CE2 4.06Å; P786-F788 PolarHBondContact O-N 3.15Å; F788-Y790 PolarHBondContact O-N 3.08Å; F788-M812 PolarHBondContact N-O 3.34Å; F788-M812 VanDerWaalsContact N-O 3.14Å; F788-M812 PolarHBondContact O-N 3.21Å; F788-T814 HydrophobicContact CB-CG2 4.15Å
789	G	74.7	Confident	66.7	Low	45.3333 Å²	45.3333	81.5 Å²	81.5	47%	0.467	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	121.2	176.5	0	0	0	0	0	110.9
790	Y	71.7	Confident	65.3	Low	60 Å²	60	87.6 Å²	87.6	24%	0.235	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-70.5	137.8	170.2	-169.1	-89.2	0	0	0	109.4	D748 D749 Y752 F788 N792 K810 M812	D748-Y790 HydrophobicContact CB-CE1 4.25Å; D748-Y790 WeakPolarHBondContact CB-OH 3.42Å; D749-Y790 PolarHBondContact N-OH 2.81Å; D749-Y790 WeakPolarHBondContact OD1-CE2 3.35Å; D749-Y790 PolarHBondContact OD1-OH 3.42Å; Y752-Y790 HydrophobicContact CD1-CD2 4.42Å; Y752-Y790 AromaticContact CD2-CD2 3.68Å; Y752-Y790 HydrophobicContact CD2-CD2 3.68Å; Y752-Y790 HydrophobicContact CD2-CE2 4.38Å; Y752-Y790 HydrophobicContact CD2-CG 4.34Å; Y752-Y790 AromaticContact CE2-CD2 3.98Å; Y752-Y790 HydrophobicContact CE2-CD2 4.06Å; Y752-Y790 AromaticContact CG-CD2 3.87Å; Y752-Y790 HydrophobicContact CG-CD2 3.95Å; Y752-Y790 HydrophobicContact CG-CE2 4.19Å; F788-Y790 PolarHBondContact O-N 3.08Å; Y790-N792 PolarHBondContact O-N 3.1Å; Y790-N792 VanDerWaalsContact O-N 3.11Å; Y790-K810 VanDerWaalsContact CB-O 3.31Å; Y790-K810 WeakPolarHBondContact CB-O 3.39Å; Y790-K810 PolarHBondContact N-O 2.99Å; Y790-K810 VanDerWaalsContact N-O 3.15Å; Y790-M812 HydrophobicContact CD2-SD 4.32Å
791	P	63.1	Low	63.2	Low	21.6667 Å²	21.6667	90.6 Å²	90.6	14%	0.141	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-63.3	116.4	174.5	26.4	-33.3	0	0	0	109.6	D748	D748-P791 HydrophobicContact CB-CG 4.43Å
792	N	50.8	Low	61.1	Low	91.6667 Å²	91.6667	89.6 Å²	89.6	49%	0.49	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-59.9	131.2	167.4	-76.2	-7.3	0	0	0	108.1	Y790 I794	Y790-N792 PolarHBondContact O-N 3.1Å; Y790-N792 VanDerWaalsContact O-N 3.11Å; N792-I794 PolarHBondContact O-N 3.01Å
793	P	48.7	Very low	58.8	Low	70 Å²	70	97.8 Å²	97.8	46%	0.455	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-57.5	142.6	169	25.6	-34	0	0	0	108.7	I795	P793-I795 VanDerWaalsContact C-N 3.28Å; P793-I795 PolarHBondContact O-N 3.11Å
794	I	40.8	Very low	56.4	Low	164.667 Å²	164.667	99.3 Å²	99.3	84%	0.844	56%	0.557	S	S	*	*			trans	-72.9	86	-178.9	-56.4	175.6	0	0	0	108.4	N792 I796	N792-I794 PolarHBondContact O-N 3.01Å; I794-I796 PolarHBondContact O-N 3.02Å; I794-I796 VanDerWaalsContact O-N 3.13Å
795	I	38.7	Very low	53.8	Low	133.333 Å²	133.333	103.4 Å²	103.4	68%	0.684	57%	0.568	S	S	*	*			trans	-67.2	105.5	167.6	-59.7	174.2	0	0	0	106.4	P793	P793-I795 VanDerWaalsContact C-N 3.28Å; P793-I795 PolarHBondContact O-N 3.11Å
796	I	41.4	Very low	51.5	Low	138.667 Å²	138.667	110.3 Å²	110.3	71%	0.711	60%	0.595	S	S	*	*			trans	-56.6	123.6	168.3	-59.3	171.9	0	0	0	106.6	I794 T798	I794-I796 PolarHBondContact O-N 3.02Å; I794-I796 VanDerWaalsContact O-N 3.13Å; I796-T798 PolarHBondContact O-N 3.26Å
797	P	37.5	Very low	49.3	Very low	100 Å²	100	116.1 Å²	116.1	65%	0.649	62%	0.618	S	S	*	*			trans	-69.2	102.3	-174.9	26.9	-33.9	0	0	0	110.3	N799	P797-N799 PolarHBondContact O-N 3.37Å
798	T	41.4	Very low	47.4	Very low	98.6667 Å²	98.6667	116.6 Å²	116.6	61%	0.605	62%	0.622	S	S	*	*			trans	-70.4	129.5	159.2	50.2	0	0	0	0	108.2	I796 E800 S801	I796-T798 PolarHBondContact O-N 3.26Å; T798-E800 PolarHBondContact O-N 3.04Å; T798-S801 PolarHBondContact O-N 3.24Å; T798-S801 PolarHBondContact O-OG 3.14Å
799	N	45.9	Very low	46	Very low	145.333 Å²	145.333	122.3 Å²	122.3	78%	0.777	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	10.1	-167.3	-73.8	-17.7	0	0	0	116	P797	P797-N799 PolarHBondContact O-N 3.37Å
800	E	48.1	Very low	45.3	Very low	188 Å²	188	128 Å²	128	88%	0.879	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	0.6	-175.5	-60.5	-173	143	0	0	114	T798	T798-E800 PolarHBondContact O-N 3.04Å
801	S	38.7	Very low	45.3	Very low	83 Å²	83	129.6 Å²	129.6	58%	0.58	68%	0.675	S	S	*	*			trans	-117.2	49	170.9	48.2	0	0	0	0	114.8	T798 K803	T798-S801 PolarHBondContact O-N 3.24Å; T798-S801 PolarHBondContact O-OG 3.14Å; S801-K803 VanDerWaalsContact C-N 3.33Å; S801-K803 PolarHBondContact O-N 3.31Å; S801-K803 VanDerWaalsContact O-N 3.12Å
802	I	41.3	Very low	46	Very low	142.75 Å²	142.75	130.5 Å²	130.5	73%	0.732	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	79.9	173.9	-49	177.6	0	0	0	113.7	S804	I802-S804 PolarHBondContact O-N 2.68Å; I802-S804 VanDerWaalsContact O-N 3.12Å
803	K	37	Very low	47.8	Very low	203.75 Å²	203.75	130.6 Å²	130.6	89%	0.886	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.4	52.5	175	-67.5	177.8	179.7	176.9	0	115.5	S801	S801-K803 VanDerWaalsContact C-N 3.33Å; S801-K803 PolarHBondContact O-N 3.31Å; S801-K803 VanDerWaalsContact O-N 3.12Å
804	S	39	Very low	49.8	Very low	87.5 Å²	87.5	127.4 Å²	127.4	61%	0.612	65%	0.654	S	S	*	*			trans	-126.9	97.4	166.1	60.4	0	0	0	0	112.1	I802 H806	I802-S804 PolarHBondContact O-N 2.68Å; I802-S804 VanDerWaalsContact O-N 3.12Å; S804-H806 VanDerWaalsContact C-N 3.26Å; S804-H806 PolarHBondContact O-N 3.03Å
805	N	35.5	Very low	52.2	Low	163 Å²	163	121.2 Å²	121.2	87%	0.872	62%	0.621	S	S	*	*			trans	-76.4	52.3	-179.5	-75.1	-5.4	0	0	0	113.2
806	H	38.3	Very low	54.7	Low	161.75 Å²	161.75	114.9 Å²	114.9	75%	0.749	59%	0.588	S	S	*	*			trans	-137.6	53.7	176.8	-90.1	0.7	0	0	0	112.4	S804 N808	S804-H806 VanDerWaalsContact C-N 3.26Å; S804-H806 PolarHBondContact O-N 3.03Å; H806-N808 PolarHBondContact O-N 2.89Å
807	H	39.6	Very low	57	Low	164 Å²	164	108.3 Å²	108.3	76%	0.759	56%	0.555	S	S	*	*			trans	-78.1	68.3	161.1	-80.1	-47	0	0	0	111.1	K809	H807-K809 VanDerWaalsContact C-N 3.32Å; H807-K809 PolarHBondContact O-N 3.09Å
808	N	43.5	Very low	59	Low	132.5 Å²	132.5	106 Å²	106	71%	0.709	54%	0.535	S	S	*	.			trans	-62.6	100	162.7	-76.3	-4.3	0	0	0	107.7	H806 K810	H806-N808 PolarHBondContact O-N 2.89Å; N808-K810 PolarHBondContact O-N 3.18Å; N808-K810 VanDerWaalsContact O-N 3.12Å
809	K	50.5	Low	60.4	Low	172 Å²	172	104.9 Å²	104.9	75%	0.748	53%	0.53	S	S	*	.			trans	-52.2	117.1	169.3	-79.9	178.6	178	175.7	0	107.3	H807 T811	H807-K809 VanDerWaalsContact C-N 3.32Å; H807-K809 PolarHBondContact O-N 3.09Å; K809-T811 VanDerWaalsContact C-N 3.33Å; K809-T811 PolarHBondContact O-N 3.02Å
810	K	59.5	Low	61.5	Low	165.25 Å²	165.25	103.2 Å²	103.2	72%	0.718	51%	0.512	S	S	*	.			trans	-70.5	90.8	178.5	-93.7	-177.7	178.6	179.7	0	108.9	Y790 N808 M812	Y790-K810 VanDerWaalsContact CB-O 3.31Å; Y790-K810 WeakPolarHBondContact CB-O 3.39Å; Y790-K810 PolarHBondContact N-O 2.99Å; Y790-K810 VanDerWaalsContact N-O 3.15Å; N808-K810 PolarHBondContact O-N 3.18Å; N808-K810 VanDerWaalsContact O-N 3.12Å; K810-M812 PolarHBondContact O-N 3.47Å
811	T	71.4	Confident	61.9	Low	94.25 Å²	94.25	99.5 Å²	99.5	58%	0.578	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	131.1	169.1	45	0	0	0	0	109.1	I787 K809	I787-T811 VanDerWaalsContact CG2-CB 3.48Å; I787-T811 HydrophobicContact CG2-CG2 3.84Å; K809-T811 VanDerWaalsContact C-N 3.33Å; K809-T811 PolarHBondContact O-N 3.02Å
812	M	78.9	Confident	62.4	Low	40.75 Å²	40.75	104.2 Å²	104.2	20%	0.201	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.1	176.1	-172.9	117.4	167.9	0	0	108.7	Y752 R770 S771 F788 Y790 K810	Y752-M812 HydrophobicContact CE1-SD 3.9Å; Y752-M812 HydrophobicContact CE2-CB 4.32Å; Y752-M812 HydrophobicContact CE2-SD 4.46Å; Y752-M812 WeakPolarHBondContact OH-CB 3.36Å; Y752-M812 WeakPolarHBondContact OH-CG 3.28Å; R770-M812 HydrophobicContact CB-CE 4.24Å; R770-M812 HydrophobicContact CB-SD 4.17Å; S771-M812 VanDerWaalsContact N-CE 3.31Å; S771-M812 VanDerWaalsContact OG-CE 3.3Å; S771-M812 WeakPolarHBondContact OG-CE 3.41Å; F788-M812 PolarHBondContact N-O 3.34Å; F788-M812 VanDerWaalsContact N-O 3.14Å; F788-M812 PolarHBondContact O-N 3.21Å; Y790-M812 HydrophobicContact CD2-SD 4.32Å; K810-M812 PolarHBondContact O-N 3.47Å
813	E	86.8	Confident	62.2	Low	92.5 Å²	92.5	102.5 Å²	102.5	43%	0.432	52%	0.516	S	S	.	.			trans	-64.3	147.5	172.5	-59.9	175.3	161.4	0	0	110.1	R770 Y815	R770-E813 HydrophobicContact CB-CB 4.14Å; R770-E813 WeakPolarHBondContact CB-O 3.45Å; R770-E813 WeakPolarHBondContact CD-OE2 3.25Å; R770-E813 HydrophobicContact CG-CB 4.49Å; R770-E813 IonicContact CZ-OE2 3.55Å; R770-E813 PolarHBondContact N-O 3.25Å; R770-E813 IonicContact NE-OE2 3.89Å; R770-E813 IonicContact NH1-OE2 3.51Å; R770-E813 PolarHBondContact NH1-OE2 3.21Å; E813-Y815 HydrophobicContact CB-CE2 3.79Å; E813-Y815 PolarHBondContact OE2-OH 3.2Å; E813-Y815 VanDerWaalsContact OE2-OH 3.13Å
814	T	91.1	Very high	61.9	Low	2.75 Å²	2.75	97.8 Å²	97.8	2%	0.017	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	155.2	178.8	73.2	0	0	0	0	110	L756 T768 G785 P786 F788	L756-T814 HydrophobicContact CD1-CG2 3.57Å; T768-T814 CarbonylContact O-C 3.53Å; T768-T814 WeakPolarHBondContact O-CA 3.31Å; T768-T814 VanDerWaalsContact O-CB 3.3Å; T768-T814 WeakPolarHBondContact O-CB 3.34Å; G785-T814 VanDerWaalsContact C-OG1 3.23Å; G785-T814 WeakPolarHBondContact CA-O 3.4Å; G785-T814 WeakPolarHBondContact CA-OG1 3.42Å; G785-T814 PolarHBondContact N-O 3.28Å; P786-T814 WeakPolarHBondContact CD-OG1 3.24Å; P786-T814 VanDerWaalsContact O-CG2 3.31Å; P786-T814 WeakPolarHBondContact O-CG2 3.38Å; P786-T814 PolarHBondContact O-OG1 3.19Å; F788-T814 HydrophobicContact CB-CG2 4.15Å
815	Y	91.9	Very high	61.6	Low	36.25 Å²	36.25	100.9 Å²	100.9	14%	0.142	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	125.1	-173.9	-65.6	-94.6	0	0	0	110.3	T768 R770 F773 E783 E813 V817	T768-Y815 WeakPolarHBondContact CB-O 3.48Å; T768-Y815 PolarHBondContact N-O 3.35Å; T768-Y815 PolarHBondContact O-N 3.19Å; T768-Y815 PolarHBondContact OG1-O 3.07Å; R770-Y815 HydrophobicContact CB-CE2 4.27Å; R770-Y815 HydrophobicContact CG-CE2 4.37Å; R770-Y815 PolarHBondContact NH1-OH 3.25Å; R770-Y815 VanDerWaalsContact NH1-OH 3.12Å; F773-Y815 HydrophobicContact CB-CD2 4.14Å; F773-Y815 HydrophobicContact CB-CG 4.32Å; F773-Y815 HydrophobicContact CD1-CD1 4.33Å; F773-Y815 HydrophobicContact CD1-CD2 4.27Å; F773-Y815 HydrophobicContact CD1-CG 4.24Å; F773-Y815 HydrophobicContact CD2-CG 4.29Å; F773-Y815 HydrophobicContact CE1-CD1 4.42Å; F773-Y815 HydrophobicContact CG-CD1 4.46Å; F773-Y815 HydrophobicContact CG-CD2 4.25Å; F773-Y815 AromaticContact CG-CG 3.96Å; F773-Y815 HydrophobicContact CG-CG 4.01Å; E783-Y815 CarbonylContact O-C 3.52Å; E783-Y815 VanDerWaalsContact O-CA 3.24Å; E783-Y815 WeakPolarHBondContact O-CA 3.36Å; E813-Y815 HydrophobicContact CB-CE2 3.79Å; E813-Y815 PolarHBondContact OE2-OH 3.2Å; E813-Y815 VanDerWaalsContact OE2-OH 3.13Å; Y815-V817 PolarHBondContact O-N 3.17Å
816	F	91.6	Very high	61.6	Low	0.25 Å²	0.25	100.6 Å²	100.6	0%	0.001	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	111	169.8	-72	-74.3	0	0	0	109.1	Y761 R762 R765 V766 L767 G782 E783	Y761-F816 HydrophobicContact CD1-CZ 4.17Å; Y761-F816 HydrophobicContact CE1-CE2 4.16Å; Y761-F816 AromaticContact CE1-CZ 3.93Å; Y761-F816 HydrophobicContact CE1-CZ 3.93Å; R762-F816 HydrophobicContact CB-CD1 4.27Å; R762-F816 HydrophobicContact CB-CE1 3.87Å; R762-F816 HydrophobicContact CB-CZ 4.12Å; R762-F816 HydrophobicContact CG-CD1 4.42Å; R762-F816 HydrophobicContact CG-CD2 4.44Å; R762-F816 HydrophobicContact CG-CE1 4.04Å; R762-F816 HydrophobicContact CG-CE2 4.03Å; R762-F816 HydrophobicContact CG-CZ 3.76Å; R765-F816 HydrophobicContact CB-CB 4.28Å; R765-F816 HydrophobicContact CB-CD1 3.91Å; R765-F816 HydrophobicContact CB-CG 4.38Å; R765-F816 HydrophobicContact CG-CB 4.43Å; V766-F816 WeakPolarHBondContact O-CA 3.39Å; L767-F816 HydrophobicContact CB-CD1 4.13Å; L767-F816 HydrophobicContact CB-CE1 3.98Å; L767-F816 HydrophobicContact CD1-CD1 3.92Å; L767-F816 HydrophobicContact CD1-CD2 4.28Å; L767-F816 HydrophobicContact CD1-CE1 3.85Å; L767-F816 HydrophobicContact CD1-CE2 4.21Å; L767-F816 HydrophobicContact CD1-CG 4.14Å; L767-F816 HydrophobicContact CD1-CZ 4Å; L767-F816 HydrophobicContact CD2-CE1 4.46Å; L767-F816 HydrophobicContact CD2-CZ 4.49Å; L767-F816 HydrophobicContact CG-CE1 4.31Å; G782-F816 CarbonylContact C-O 3.45Å; G782-F816 WeakPolarHBondContact CA-O 3.41Å; E783-F816 HydrophobicContact CB-CB 4.37Å; E783-F816 PolarHBondContact N-O 3Å; E783-F816 PolarHBondContact O-N 2.94Å
817	V	89.7	Confident	61.3	Low	0 Å²	0	98.4 Å²	98.4	0%	0	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	131.8	178.7	176	0	0	0	0	110.3	I699 V766 T768 F773 L776 F780 R781 Y815	I699-V817 HydrophobicContact CD1-CG2 4.23Å; I699-V817 HydrophobicContact CG2-CG1 4.04Å; V766-V817 PolarHBondContact N-O 3.42Å; V766-V817 PolarHBondContact O-N 3.17Å; T768-V817 HydrophobicContact CG2-CB 4.27Å; T768-V817 HydrophobicContact CG2-CG2 3.6Å; F773-V817 HydrophobicContact CD2-CG2 4.03Å; F773-V817 HydrophobicContact CE2-CG2 4.29Å; L776-V817 HydrophobicContact CD1-CG2 4.13Å; F780-V817 HydrophobicContact CB-CG1 4.4Å; F780-V817 HydrophobicContact CD1-CG1 3.93Å; F780-V817 HydrophobicContact CG-CG1 4.48Å; R781-V817 WeakPolarHBondContact O-CA 3.4Å; Y815-V817 PolarHBondContact O-N 3.17Å
818	Q	79.3	Confident	60.8	Low	51.5 Å²	51.5	97.3 Å²	97.3	24%	0.241	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-86.8	151.7	174.4	-62.8	-174.1	-11.3	0	0	111	R781 E783	R781-Q818 HydrophobicContact CB-CB 4.42Å; R781-Q818 PolarHBondContact O-N 3.21Å; E783-Q818 PolarHBondContact OE1-NE2 2.99Å
819	P	71.5	Confident	60.3	Low	75.25 Å²	75.25	97.4 Å²	97.4	49%	0.489	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-59.6	152.3	166	27.6	-35	0	0	0	111.1	L703 T821	L703-P819 HydrophobicContact CD2-CB 4.23Å; P819-T821 PolarHBondContact O-N 3.09Å
820	R	68	Low	59.4	Low	110.75 Å²	110.75	97.1 Å²	97.1	42%	0.418	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-66.6	126.6	175.8	-66.7	178.3	-179.9	169.7	0.2	109.9	R696 D700 F780 E822	R696-R820 VanDerWaalsContact NE-NH2 3.15Å; D700-R820 IonicContact OD1-NH2 2.69Å; D700-R820 IonicContact OD2-NH2 2.71Å; F780-R820 HydrophobicContact CD1-CG 4.37Å; F780-R820 HydrophobicContact CE1-CG 4.27Å; R820-E822 PolarHBondContact O-N 3Å
821	T	57.2	Low	58	Low	109.5 Å²	109.5	96.5 Å²	96.5	67%	0.672	53%	0.528	S	S	*	.			trans	-76.9	107.1	163	29.1	0	0	0	0	108	P819 S823	P819-T821 PolarHBondContact O-N 3.09Å; T821-S823 PolarHBondContact O-N 3.26Å
822	E	49.5	Very low	56	Low	182.75 Å²	182.75	97.2 Å²	97.2	85%	0.854	54%	0.535	S	S	*	.			trans	-62.8	131.8	172.4	-66.6	-175.8	169.1	0	0	109.8	R820 S824	R820-E822 PolarHBondContact O-N 3Å; E822-S824 PolarHBondContact O-N 3.14Å; E822-S824 VanDerWaalsContact O-N 3.15Å
823	S	36.5	Very low	53.9	Low	106.25 Å²	106.25	102 Å²	102	74%	0.743	56%	0.56	S	S	*	*			trans	-75	99.9	179.6	54.7	0	0	0	0	110.1	T821 N825	T821-S823 PolarHBondContact O-N 3.26Å; S823-N825 VanDerWaalsContact C-N 3.27Å; S823-N825 PolarHBondContact O-N 3.11Å
824	S	31.4	Very low	51.3	Low	104.25 Å²	104.25	103.8 Å²	103.8	73%	0.729	57%	0.572	S	S	*	*			trans	-67.2	87.1	179.5	57.7	0	0	0	0	112.2	E822 I826	E822-S824 PolarHBondContact O-N 3.14Å; E822-S824 VanDerWaalsContact O-N 3.15Å; S824-I826 VanDerWaalsContact C-N 3.26Å; S824-I826 PolarHBondContact O-N 2.92Å
825	N	31.2	Very low	48.7	Very low	152.75 Å²	152.75	108.9 Å²	108.9	82%	0.817	60%	0.599	S	S	*	*			trans	-108	41.2	172.7	-86	-11.3	0	0	0	112	S823	S823-N825 VanDerWaalsContact C-N 3.27Å; S823-N825 PolarHBondContact O-N 3.11Å
826	I	35.5	Very low	45.8	Very low	158.25 Å²	158.25	112.4 Å²	112.4	81%	0.812	62%	0.62	S	S	*	*			trans	-127.7	112.7	162.3	-58.8	-178.6	0	0	0	107	S824	S824-I826 VanDerWaalsContact C-N 3.26Å; S824-I826 PolarHBondContact O-N 2.92Å
827	V	32.8	Very low	43	Very low	115.25 Å²	115.25	115.3 Å²	115.3	70%	0.698	65%	0.65	S	S	*	*			trans	-96.3	151.6	179.4	178.8	0	0	0	0	108.7
828	D	29.4	Very low	40.1	Very low	141 Å²	141	120.8 Å²	120.8	75%	0.754	68%	0.679	S	S	*	*	S	Bend	trans	51.3	120.5	172.6	-53.3	-48.4	0	0	0	118.6
829	T	32.7	Very low	37.9	Very low	133.75 Å²	133.75	124.9 Å²	124.9	82%	0.821	70%	0.698	S	S	*	*			trans	130.1	26	159.6	55.3	0	0	0	0	118.2
830	L	30.9	Very low	36	Very low	166.5 Å²	166.5	125.9 Å²	125.9	87%	0.872	71%	0.707	S	S	*	*	S	Bend	trans	-123.7	121.4	158.3	-84.9	168.7	0	0	0	110.2	P832	L830-P832 WeakPolarHBondContact O-CD 3.46Å
831	N	29.8	Very low	34.2	Very low	151.25 Å²	151.25	124.4 Å²	124.4	81%	0.809	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-59.1	132.2	-179.1	-70.2	-7	0	0	0	110.7	I833	N831-I833 PolarHBondContact O-N 3.04Å; N831-I833 VanDerWaalsContact O-N 3.1Å
832	P	30.7	Very low	33	Very low	110.25 Å²	110.25	125.5 Å²	125.5	72%	0.716	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-64.6	125.7	168.2	28.7	-32.9	0	0	0	108.7	L830 D834	L830-P832 WeakPolarHBondContact O-CD 3.46Å; P832-D834 PolarHBondContact O-N 3.17Å
833	I	35	Very low	32	Very low	141.75 Å²	141.75	121.7 Å²	121.7	73%	0.727	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-70.7	124.1	164.2	-61.9	176	0	0	0	106.1	N831 L835	N831-I833 PolarHBondContact O-N 3.04Å; N831-I833 VanDerWaalsContact O-N 3.1Å; I833-L835 VanDerWaalsContact C-N 3.25Å; I833-L835 HydrophobicContact CB-CD1 4.33Å; I833-L835 HydrophobicContact CG2-CD1 4.15Å; I833-L835 HydrophobicContact CG2-CG 4.4Å; I833-L835 PolarHBondContact O-N 3.16Å
834	D	31.8	Very low	31.7	Very low	128.5 Å²	128.5	121.8 Å²	121.8	69%	0.687	71%	0.709	S	S	*	*			trans	-66.7	80.4	-171.4	-104.7	-38.8	0	0	0	113.2	P832 N836	P832-D834 PolarHBondContact O-N 3.17Å; D834-N836 PolarHBondContact O-N 3.45Å; D834-N836 WeakPolarHBondContact OD1-CB 3.35Å; D834-N836 PolarHBondContact OD1-ND2 3.34Å
835	L	35.4	Very low	31.5	Very low	110 Å²	110	121.5 Å²	121.5	58%	0.576	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-3.4	167.2	-87	113.9	0	0	0	112.5	I833 G837 L838 Q839	I833-L835 VanDerWaalsContact C-N 3.25Å; I833-L835 HydrophobicContact CB-CD1 4.33Å; I833-L835 HydrophobicContact CG2-CD1 4.15Å; I833-L835 HydrophobicContact CG2-CG 4.4Å; I833-L835 PolarHBondContact O-N 3.16Å; L835-G837 PolarHBondContact O-N 3.14Å; L835-L838 HydrophobicContact CD2-CD1 4.17Å; L835-L838 PolarHBondContact O-N 3.14Å; L835-Q839 PolarHBondContact O-N 2.93Å
836	N	31.9	Very low	31.5	Very low	110 Å²	110	120.6 Å²	120.6	59%	0.588	71%	0.707	S	S	*	*	H	α-helix	trans	-60.6	-20.9	173.9	-65.9	-32.8	0	0	0	112.6	D834 L838 Q839	D834-N836 PolarHBondContact O-N 3.45Å; D834-N836 WeakPolarHBondContact OD1-CB 3.35Å; D834-N836 PolarHBondContact OD1-ND2 3.34Å; N836-L838 PolarHBondContact O-N 3.03Å; N836-Q839 PolarHBondContact O-N 3.33Å
837	G	32.2	Very low	31.4	Very low	61 Å²	61	115.8 Å²	115.8	63%	0.629	69%	0.691	S	S	*	*	H	α-helix	trans	-72.9	-12.1	173.1	0	0	0	0	0	115.6	L835	L835-G837 PolarHBondContact O-N 3.14Å
838	L	29.2	Very low	31.6	Very low	117 Å²	117	117.4 Å²	117.4	61%	0.613	70%	0.695	S	S	*	*	H	α-helix	trans	-107.5	-13.4	175	-76.7	168.7	0	0	0	113.1	L835 N836 S840 S841 L842	L835-L838 HydrophobicContact CD2-CD1 4.17Å; L835-L838 PolarHBondContact O-N 3.14Å; N836-L838 PolarHBondContact O-N 3.03Å; L838-S840 PolarHBondContact O-N 2.83Å; L838-S841 PolarHBondContact O-N 2.94Å; L838-S841 PolarHBondContact O-OG 2.91Å; L838-L842 HydrophobicContact CB-CD1 4.15Å; L838-L842 HydrophobicContact CD2-CD1 4.5Å; L838-L842 WeakPolarHBondContact O-CD1 3.36Å; L838-L842 PolarHBondContact O-N 3.48Å
839	Q	32.8	Very low	32.1	Very low	136 Å²	136	116.7 Å²	116.7	64%	0.636	68%	0.682	S	S	*	*	H	α-helix	trans	-78.5	-14.2	-176.5	-124.4	167.1	2.4	0	0	113.6	L835 N836 S841 L842	L835-Q839 PolarHBondContact O-N 2.93Å; N836-Q839 PolarHBondContact O-N 3.33Å; Q839-S841 VanDerWaalsContact C-N 3.27Å; Q839-S841 PolarHBondContact O-N 3.16Å; Q839-S841 VanDerWaalsContact O-N 3.14Å; Q839-L842 PolarHBondContact O-N 2.85Å
840	S	31.6	Very low	32.8	Very low	97.75 Å²	97.75	112.8 Å²	112.8	68%	0.684	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-3.7	179.6	56	0	0	0	0	115.4	L838	L838-S840 PolarHBondContact O-N 2.83Å
841	S	31.7	Very low	33.9	Very low	78 Å²	78	107.2 Å²	107.2	55%	0.545	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.8	-10.1	177.9	56.1	0	0	0	0	114.2	L838 Q839 S843 S844	L838-S841 PolarHBondContact O-N 2.94Å; L838-S841 PolarHBondContact O-OG 2.91Å; Q839-S841 VanDerWaalsContact C-N 3.27Å; Q839-S841 PolarHBondContact O-N 3.16Å; Q839-S841 VanDerWaalsContact O-N 3.14Å; S841-S843 VanDerWaalsContact C-N 3.31Å; S841-S843 PolarHBondContact O-N 3.45Å; S841-S843 VanDerWaalsContact O-N 3.12Å; S841-S844 PolarHBondContact O-OG 3.29Å
842	L	30.6	Very low	35	Very low	133.75 Å²	133.75	100.7 Å²	100.7	70%	0.7	60%	0.598	S	S	*	*	S	Bend	trans	-84.9	-1.8	-176.9	-100	76.5	0	0	0	114.5	L838 Q839 S844	L838-L842 HydrophobicContact CB-CD1 4.15Å; L838-L842 HydrophobicContact CD2-CD1 4.5Å; L838-L842 WeakPolarHBondContact O-CD1 3.36Å; L838-L842 PolarHBondContact O-N 3.48Å; Q839-L842 PolarHBondContact O-N 2.85Å; L842-S844 VanDerWaalsContact C-N 3.28Å; L842-S844 PolarHBondContact O-N 2.9Å
843	S	28.9	Very low	36.1	Very low	102 Å²	102	98.1 Å²	98.1	71%	0.713	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	30.2	-176	60.1	0	0	0	0	114.3	S841	S841-S843 VanDerWaalsContact C-N 3.31Å; S841-S843 PolarHBondContact O-N 3.45Å; S841-S843 VanDerWaalsContact O-N 3.12Å
844	S	29.4	Very low	37	Very low	108 Å²	108	97 Å²	97	76%	0.755	58%	0.576	S	S	*	*	S	Bend	trans	-156.2	46.7	-175.8	60.4	0	0	0	0	116.2	S841 L842	S841-S844 PolarHBondContact O-OG 3.29Å; L842-S844 VanDerWaalsContact C-N 3.28Å; L842-S844 PolarHBondContact O-N 2.9Å
845	S	28.9	Very low	38.2	Very low	98 Å²	98	92.7 Å²	92.7	69%	0.685	55%	0.553	S	S	*	*			trans	-142.4	127.8	155	60.1	0	0	0	0	111.9	A847	S845-A847 PolarHBondContact O-N 2.97Å; S845-A847 VanDerWaalsContact O-N 3.08Å
846	T	31.1	Very low	39.1	Very low	135.5 Å²	135.5	93.3 Å²	93.3	83%	0.831	56%	0.557	S	S	*	*			trans	-75.6	90.3	161.4	46.8	0	0	0	0	107.6	D848	T846-D848 VanDerWaalsContact C-N 3.31Å; T846-D848 PolarHBondContact O-N 3.15Å
847	A	33.2	Very low	39.9	Very low	57.5 Å²	57.5	92.6 Å²	92.6	48%	0.475	55%	0.553	S	S	.	*			trans	-73.3	106	-179.7	0	0	0	0	0	110.3	S845 W849	S845-A847 PolarHBondContact O-N 2.97Å; S845-A847 VanDerWaalsContact O-N 3.08Å; A847-W849 HydrophobicContact CB-CZ2 4.29Å; A847-W849 VanDerWaalsContact O-CD1 3.25Å; A847-W849 PolarHBondContact O-N 3.12Å; A847-W849 VanDerWaalsContact O-N 3.15Å; A847-W849 PolarHBondContact O-NE1 3.31Å; A847-W849 VanDerWaalsContact O-NE1 3.15Å
848	D	36.2	Very low	40.8	Very low	147 Å²	147	97.1 Å²	97.1	79%	0.786	56%	0.563	S	S	*	*			trans	-67.5	109.6	173.6	-75.9	-41	0	0	0	110.1	T846 S850 T851	T846-D848 VanDerWaalsContact C-N 3.31Å; T846-D848 PolarHBondContact O-N 3.15Å; D848-S850 PolarHBondContact O-N 3.1Å; D848-T851 PolarHBondContact O-N 3.25Å; D848-T851 VanDerWaalsContact O-N 3.16Å; D848-T851 PolarHBondContact O-OG1 3.49Å
849	W	40.8	Very low	42.4	Very low	126.5 Å²	126.5	93.3 Å²	93.3	48%	0.479	55%	0.545	S	S	.	.			trans	-63.7	97.4	176.9	-62.6	98.8	0	0	0	111.3	V623 H717 Q719 E721 A847 T851 L852 T853	V623-W849 HydrophobicContact CB-CH2 3.73Å; V623-W849 HydrophobicContact CB-CZ2 3.91Å; V623-W849 HydrophobicContact CG1-CH2 3.59Å; V623-W849 HydrophobicContact CG1-CZ2 3.44Å; V623-W849 VanDerWaalsContact CG1-CZ2 3.44Å; V623-W849 HydrophobicContact CG1-CZ3 4.37Å; H717-W849 HydrophobicContact CB-CE3 4.43Å; H717-W849 HydrophobicContact CB-CZ3 3.78Å; H717-W849 AromaticContact CG-CZ3 3.89Å; H717-W849 AromaticContact ND1-CH2 3.63Å; H717-W849 WeakPolarHBondContact ND1-CH2 3.47Å; H717-W849 AromaticContact ND1-CZ3 3.49Å; H717-W849 VanDerWaalsContact ND1-CZ3 3.35Å; H717-W849 WeakPolarHBondContact ND1-CZ3 3.19Å; Q719-W849 HydrophobicContact CB-CB 4.26Å; Q719-W849 VanDerWaalsContact CD-CB 3.5Å; Q719-W849 HydrophobicContact CG-CB 3.81Å; Q719-W849 HydrophobicContact CG-CG 4.32Å; E721-W849 HydrophobicContact CB-CH2 4.2Å; E721-W849 HydrophobicContact CB-CZ2 4.11Å; E721-W849 HydrophobicContact CG-CH2 4.28Å; E721-W849 HydrophobicContact CG-CZ2 3.9Å; A847-W849 HydrophobicContact CB-CZ2 4.29Å; A847-W849 VanDerWaalsContact O-CD1 3.25Å; A847-W849 PolarHBondContact O-N 3.12Å; A847-W849 VanDerWaalsContact O-N 3.15Å; A847-W849 PolarHBondContact O-NE1 3.31Å; A847-W849 VanDerWaalsContact O-NE1 3.15Å; W849-T851 PolarHBondContact O-N 3.18Å; W849-T851 VanDerWaalsContact O-N 3.08Å; W849-L852 HydrophobicContact CE3-CD1 4.45Å; W849-L852 HydrophobicContact CZ3-CD1 4.31Å; W849-L852 PolarHBondContact O-N 3.25Å; W849-T853 PolarHBondContact O-N 3.42Å
850	S	46.6	Very low	43.9	Very low	52.5 Å²	52.5	88.2 Å²	88.2	37%	0.367	52%	0.523	S	S	.	.			trans	-70.5	82	170.5	53.2	0	0	0	0	110.7	Q719 D848 T853 N854 L855	Q719-S850 PolarHBondContact N-O 3.18Å; D848-S850 PolarHBondContact O-N 3.1Å; S850-T853 WeakPolarHBondContact CA-OG1 3.28Å; S850-T853 PolarHBondContact O-N 3.34Å; S850-T853 PolarHBondContact O-OG1 3.45Å; S850-N854 WeakPolarHBondContact O-CB 3.47Å; S850-N854 PolarHBondContact O-N 2.81Å; S850-N854 VanDerWaalsContact O-N 3.12Å; S850-N854 PolarHBondContact O-ND2 3.04Å; S850-N854 PolarHBondContact O-OD1 3.29Å; S850-L855 WeakPolarHBondContact OG-CD2 3.36Å
851	T	54.6	Low	45.7	Very low	49.25 Å²	49.25	84.3 Å²	84.3	30%	0.302	50%	0.499	S	S	.	.	B	Isolated β-bridge	trans	-59.5	156.8	171.2	29.2	0	0	0	0	110.8	Q719 D848 W849 T853 N854	Q719-T851 HydrophobicContact CG-CG2 4.37Å; Q719-T851 PolarHBondContact OE1-OG1 3.4Å; D848-T851 PolarHBondContact O-N 3.25Å; D848-T851 VanDerWaalsContact O-N 3.16Å; D848-T851 PolarHBondContact O-OG1 3.49Å; W849-T851 PolarHBondContact O-N 3.18Å; W849-T851 VanDerWaalsContact O-N 3.08Å; T851-T853 PolarHBondContact O-N 3.26Å; T851-T853 PolarHBondContact O-OG1 2.96Å; T851-T853 VanDerWaalsContact O-OG1 3.12Å; T851-T853 PolarHBondContact OG1-OG1 3.15Å; T851-N854 PolarHBondContact O-N 3.18Å; T851-N854 WeakPolarHBondContact OG1-CB 3.49Å; T851-N854 PolarHBondContact OG1-ND2 3.41Å
852	L	52.2	Low	47.6	Very low	13.75 Å²	13.75	84.3 Å²	84.3	7%	0.072	50%	0.496	C	S	.	.	G	3₁₀ helix	trans	-57.9	-19.2	177.2	-130.6	137.9	0	0	0	114.1	V623 G624 L628 V718 Q719 L720 W849 N854 L855 L867	V623-L852 VanDerWaalsContact O-CD2 3.28Å; V623-L852 WeakPolarHBondContact O-CD2 3.41Å; G624-L852 VanDerWaalsContact O-CD2 3.31Å; G624-L852 WeakPolarHBondContact O-CD2 3.34Å; L628-L852 HydrophobicContact CB-CD2 3.85Å; L628-L852 HydrophobicContact CD1-CD1 3.91Å; L628-L852 HydrophobicContact CD1-CD2 3.92Å; L628-L852 HydrophobicContact CD1-CG 3.74Å; L628-L852 HydrophobicContact CD2-CD2 4.47Å; L628-L852 WeakPolarHBondContact CD2-O 3.37Å; L628-L852 HydrophobicContact CG-CD2 4.21Å; L628-L852 HydrophobicContact CG-CG 3.96Å; V718-L852 HydrophobicContact CG1-CD1 4.19Å; V718-L852 HydrophobicContact CG1-CD2 4.36Å; Q719-L852 HydrophobicContact CB-CD1 4.2Å; Q719-L852 WeakPolarHBondContact O-CD1 3.35Å; Q719-L852 PolarHBondContact O-N 3.42Å; L720-L852 HydrophobicContact CD2-CD1 3.57Å; W849-L852 HydrophobicContact CE3-CD1 4.45Å; W849-L852 HydrophobicContact CZ3-CD1 4.31Å; W849-L852 PolarHBondContact O-N 3.25Å; L852-N854 VanDerWaalsContact C-N 3.27Å; L852-N854 PolarHBondContact O-N 2.97Å; L852-L855 HydrophobicContact CB-CD1 4.5Å; L852-L855 HydrophobicContact CD1-CD1 4.08Å; L852-L855 HydrophobicContact CD2-CD1 4Å; L852-L855 HydrophobicContact CG-CD1 4.09Å; L852-L867 HydrophobicContact CD1-CD1 4.35Å
853	T	54.6	Low	49.7	Very low	56.5 Å²	56.5	78.8 Å²	78.8	35%	0.347	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-71.4	-24	172.1	53.7	0	0	0	0	114.4	W849 S850 T851	W849-T853 PolarHBondContact O-N 3.42Å; S850-T853 WeakPolarHBondContact CA-OG1 3.28Å; S850-T853 PolarHBondContact O-N 3.34Å; S850-T853 PolarHBondContact O-OG1 3.45Å; T851-T853 PolarHBondContact O-N 3.26Å; T851-T853 PolarHBondContact O-OG1 2.96Å; T851-T853 VanDerWaalsContact O-OG1 3.12Å; T851-T853 PolarHBondContact OG1-OG1 3.15Å
854	N	54.3	Low	52	Low	118 Å²	118	74.3 Å²	74.3	63%	0.631	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-106.2	19.8	-168.3	-62.6	4.6	0	0	0	113	S850 T851 L852 D856	S850-N854 WeakPolarHBondContact O-CB 3.47Å; S850-N854 PolarHBondContact O-N 2.81Å; S850-N854 VanDerWaalsContact O-N 3.12Å; S850-N854 PolarHBondContact O-ND2 3.04Å; S850-N854 PolarHBondContact O-OD1 3.29Å; T851-N854 PolarHBondContact O-N 3.18Å; T851-N854 WeakPolarHBondContact OG1-CB 3.49Å; T851-N854 PolarHBondContact OG1-ND2 3.41Å; L852-N854 VanDerWaalsContact C-N 3.27Å; L852-N854 PolarHBondContact O-N 2.97Å; N854-D856 PolarHBondContact O-N 3.39Å
855	L	56	Low	54.4	Low	38 Å²	38	71.7 Å²	71.7	20%	0.199	42%	0.416	C	S	.	.			trans	-75.5	114.5	179.7	-73.9	171.6	0	0	0	111.6	L628 S850 L852 L857 T860 V863	L628-L855 HydrophobicContact CD1-CD1 4.13Å; L628-L855 HydrophobicContact CD2-CD1 4.25Å; S850-L855 WeakPolarHBondContact OG-CD2 3.36Å; L852-L855 HydrophobicContact CB-CD1 4.5Å; L852-L855 HydrophobicContact CD1-CD1 4.08Å; L852-L855 HydrophobicContact CD2-CD1 4Å; L852-L855 HydrophobicContact CG-CD1 4.09Å; L855-L857 PolarHBondContact O-N 3.34Å; L855-T860 HydrophobicContact CB-CG2 4.32Å; L855-V863 HydrophobicContact CD1-CG1 3.93Å; L855-V863 HydrophobicContact CD1-CG2 4.43Å; L855-V863 HydrophobicContact CD2-CB 4.47Å; L855-V863 HydrophobicContact CD2-CG1 4.08Å; L855-V863 HydrophobicContact CD2-CG2 4.2Å
856	D	53.7	Low	56.9	Low	123.5 Å²	123.5	73.7 Å²	73.7	66%	0.66	41%	0.408	S	S	*	.			trans	-59.7	138.4	179.7	-138.1	0.4	0	0	0	112.1	N854 N858 S859 T860	N854-D856 PolarHBondContact O-N 3.39Å; D856-N858 VanDerWaalsContact C-N 3.29Å; D856-N858 PolarHBondContact O-N 3.06Å; D856-N858 VanDerWaalsContact O-N 3.12Å; D856-S859 PolarHBondContact N-OG 2.92Å; D856-S859 WeakPolarHBondContact O-CA 3.49Å; D856-S859 VanDerWaalsContact O-CB 3.27Å; D856-S859 WeakPolarHBondContact O-CB 3.36Å; D856-S859 PolarHBondContact O-N 3.1Å; D856-S859 PolarHBondContact O-OG 3.11Å; D856-T860 PolarHBondContact O-N 3.02Å
857	L	50.4	Low	59.4	Low	95 Å²	95	67.4 Å²	67.4	50%	0.497	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-54.8	-40.2	-164.6	-124.5	72.3	0	0	0	113.2	T635 L855 S859 T860	T635-L857 HydrophobicContact CG2-CD1 3.95Å; T635-L857 HydrophobicContact CG2-CD2 4.1Å; T635-L857 HydrophobicContact CG2-CG 4.25Å; L855-L857 PolarHBondContact O-N 3.34Å; L857-S859 VanDerWaalsContact C-N 3.28Å; L857-S859 PolarHBondContact O-N 3.33Å; L857-T860 WeakPolarHBondContact O-CG2 3.27Å; L857-T860 PolarHBondContact O-N 3.1Å; L857-T860 PolarHBondContact O-OG1 3.15Å
858	N	51.2	Low	61.8	Low	156.25 Å²	156.25	65.2 Å²	65.2	84%	0.836	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-68.5	-24	-179.8	-64.8	-28.7	0	0	0	113.3	D856	D856-N858 VanDerWaalsContact C-N 3.29Å; D856-N858 PolarHBondContact O-N 3.06Å; D856-N858 VanDerWaalsContact O-N 3.12Å
859	S	62	Low	64	Low	35.75 Å²	35.75	60.8 Å²	60.8	25%	0.25	33%	0.332	C	S	.	.	H	α-helix	trans	-86.3	-21.9	177.8	75.6	0	0	0	0	113.1	D856 L857 G861 T862 V863	D856-S859 PolarHBondContact N-OG 2.92Å; D856-S859 WeakPolarHBondContact O-CA 3.49Å; D856-S859 VanDerWaalsContact O-CB 3.27Å; D856-S859 WeakPolarHBondContact O-CB 3.36Å; D856-S859 PolarHBondContact O-N 3.1Å; D856-S859 PolarHBondContact O-OG 3.11Å; L857-S859 VanDerWaalsContact C-N 3.28Å; L857-S859 PolarHBondContact O-N 3.33Å; S859-G861 VanDerWaalsContact C-N 3.3Å; S859-G861 PolarHBondContact O-N 3.09Å; S859-G861 VanDerWaalsContact O-N 3.14Å; S859-T862 WeakPolarHBondContact CA-OG1 3.3Å; S859-T862 CarbonylContact O-C 3.52Å; S859-T862 WeakPolarHBondContact O-CA 3.39Å; S859-T862 PolarHBondContact O-N 3.09Å; S859-T862 PolarHBondContact O-OG1 3.17Å; S859-V863 WeakPolarHBondContact O-CB 3.3Å; S859-V863 WeakPolarHBondContact O-CG2 3.46Å; S859-V863 PolarHBondContact O-N 3.21Å
860	T	65	Low	66.2	Low	28.75 Å²	28.75	55.9 Å²	55.9	18%	0.176	32%	0.316	C	S	.	.	H	α-helix	trans	-54	-42	-172	59.3	0	0	0	0	113.5	L855 D856 L857 V863 I864	L855-T860 HydrophobicContact CB-CG2 4.32Å; D856-T860 PolarHBondContact O-N 3.02Å; L857-T860 WeakPolarHBondContact O-CG2 3.27Å; L857-T860 PolarHBondContact O-N 3.1Å; L857-T860 PolarHBondContact O-OG1 3.15Å; T860-V863 PolarHBondContact O-N 3.07Å; T860-I864 VanDerWaalsContact O-CB 3.27Å; T860-I864 WeakPolarHBondContact O-CB 3.37Å; T860-I864 WeakPolarHBondContact O-CD1 3.37Å; T860-I864 VanDerWaalsContact O-CG1 3.22Å; T860-I864 WeakPolarHBondContact O-CG1 3.36Å; T860-I864 PolarHBondContact O-N 3.27Å
861	G	68.1	Low	68	Low	17 Å²	17	53.4 Å²	53.4	18%	0.175	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-41.2	176.5	0	0	0	0	0	113.6	S859 V863 I864 T865	S859-G861 VanDerWaalsContact C-N 3.3Å; S859-G861 PolarHBondContact O-N 3.09Å; S859-G861 VanDerWaalsContact O-N 3.14Å; G861-V863 VanDerWaalsContact C-N 3.34Å; G861-I864 PolarHBondContact O-N 3.28Å; G861-T865 WeakPolarHBondContact O-CB 3.39Å; G861-T865 WeakPolarHBondContact O-CG2 3.43Å; G861-T865 PolarHBondContact O-N 3.23Å; G861-T865 PolarHBondContact O-OG1 3.13Å
862	T	71.5	Confident	69.5	Low	76.75 Å²	76.75	51.9 Å²	51.9	47%	0.471	29%	0.29	S	S	.	.	H	α-helix	trans	-72.9	-30.9	178.2	61.1	0	0	0	0	112.1	S859 T865 R866	S859-T862 WeakPolarHBondContact CA-OG1 3.3Å; S859-T862 CarbonylContact O-C 3.52Å; S859-T862 WeakPolarHBondContact O-CA 3.39Å; S859-T862 PolarHBondContact O-N 3.09Å; S859-T862 PolarHBondContact O-OG1 3.17Å; T862-T865 VanDerWaalsContact CA-OG1 3.28Å; T862-T865 WeakPolarHBondContact CA-OG1 3.42Å; T862-T865 PolarHBondContact O-N 3.42Å; T862-T865 PolarHBondContact O-OG1 3.14Å; T862-T865 VanDerWaalsContact O-OG1 3.1Å; T862-R866 WeakPolarHBondContact O-CB 3.25Å; T862-R866 WeakPolarHBondContact O-CD 3.39Å; T862-R866 WeakPolarHBondContact O-CG 3.43Å; T862-R866 PolarHBondContact O-N 3.03Å
863	V	74.7	Confident	71	Confident	18.5 Å²	18.5	56.4 Å²	56.4	11%	0.112	31%	0.313	C	S	.	.	H	α-helix	trans	-70.3	-46.1	173.1	172	0	0	0	0	111.1	V718 L855 S859 T860 G861 T865 R866 L867	V718-V863 HydrophobicContact CG1-CG1 4.49Å; V718-V863 HydrophobicContact CG2-CG1 3.64Å; L855-V863 HydrophobicContact CD1-CG1 3.93Å; L855-V863 HydrophobicContact CD1-CG2 4.43Å; L855-V863 HydrophobicContact CD2-CB 4.47Å; L855-V863 HydrophobicContact CD2-CG1 4.08Å; L855-V863 HydrophobicContact CD2-CG2 4.2Å; S859-V863 WeakPolarHBondContact O-CB 3.3Å; S859-V863 WeakPolarHBondContact O-CG2 3.46Å; S859-V863 PolarHBondContact O-N 3.21Å; T860-V863 PolarHBondContact O-N 3.07Å; G861-V863 VanDerWaalsContact C-N 3.34Å; V863-T865 PolarHBondContact O-N 3.09Å; V863-R866 PolarHBondContact O-N 3.1Å; V863-L867 HydrophobicContact CG1-CD1 4Å; V863-L867 HydrophobicContact CG1-CG 4.47Å; V863-L867 WeakPolarHBondContact O-CB 3.38Å; V863-L867 VanDerWaalsContact O-CG 3.31Å; V863-L867 WeakPolarHBondContact O-CG 3.33Å; V863-L867 PolarHBondContact O-N 3.32Å
864	I	78.3	Confident	72.5	Confident	7.75 Å²	7.75	54.5 Å²	54.5	4%	0.04	30%	0.301	C	S	.	.	H	α-helix	trans	-65.7	-38.6	178	-70.9	165.3	0	0	0	111.6	L628 L632 I647 Q650 F651 T860 G861 L867 A868	L628-I864 HydrophobicContact CD2-CD1 4.35Å; L632-I864 HydrophobicContact CD1-CD1 3.94Å; L632-I864 HydrophobicContact CD2-CD1 3.82Å; L632-I864 HydrophobicContact CG-CD1 4.24Å; I647-I864 HydrophobicContact CG2-CD1 3.82Å; I647-I864 HydrophobicContact CG2-CG2 4.44Å; Q650-I864 HydrophobicContact CB-CG2 3.96Å; F651-I864 HydrophobicContact CB-CG2 4.14Å; F651-I864 HydrophobicContact CD2-CD1 4.44Å; T860-I864 VanDerWaalsContact O-CB 3.27Å; T860-I864 WeakPolarHBondContact O-CB 3.37Å; T860-I864 WeakPolarHBondContact O-CD1 3.37Å; T860-I864 VanDerWaalsContact O-CG1 3.22Å; T860-I864 WeakPolarHBondContact O-CG1 3.36Å; T860-I864 PolarHBondContact O-N 3.27Å; G861-I864 PolarHBondContact O-N 3.28Å; I864-L867 PolarHBondContact O-N 3.13Å; I864-A868 VanDerWaalsContact O-CB 3.3Å; I864-A868 WeakPolarHBondContact O-CB 3.29Å; I864-A868 PolarHBondContact O-N 2.9Å
865	T	79	Confident	74	Confident	54.5 Å²	54.5	49 Å²	49	33%	0.334	27%	0.271	S	S	.	.	H	α-helix	trans	-64.5	-40	173.8	46.3	0	0	0	0	112.8	Q650 G861 T862 V863 A868 S869	Q650-T865 VanDerWaalsContact CD-CG2 3.49Å; G861-T865 WeakPolarHBondContact O-CB 3.39Å; G861-T865 WeakPolarHBondContact O-CG2 3.43Å; G861-T865 PolarHBondContact O-N 3.23Å; G861-T865 PolarHBondContact O-OG1 3.13Å; T862-T865 VanDerWaalsContact CA-OG1 3.28Å; T862-T865 WeakPolarHBondContact CA-OG1 3.42Å; T862-T865 PolarHBondContact O-N 3.42Å; T862-T865 PolarHBondContact O-OG1 3.14Å; T862-T865 VanDerWaalsContact O-OG1 3.1Å; V863-T865 PolarHBondContact O-N 3.09Å; T865-A868 PolarHBondContact O-N 3.27Å; T865-S869 VanDerWaalsContact O-CB 3.31Å; T865-S869 WeakPolarHBondContact O-CB 3.38Å; T865-S869 PolarHBondContact O-N 3.07Å; T865-S869 PolarHBondContact O-OG 3.19Å
866	R	80.7	Confident	75.3	Confident	138.5 Å²	138.5	53.6 Å²	53.6	52%	0.523	29%	0.286	S	S	.	.	H	α-helix	trans	-64.9	-46.5	173.8	-74.6	171.1	-178	-171.4	0.7	111.7	T862 V863 A868 S869 V870	T862-R866 WeakPolarHBondContact O-CB 3.25Å; T862-R866 WeakPolarHBondContact O-CD 3.39Å; T862-R866 WeakPolarHBondContact O-CG 3.43Å; T862-R866 PolarHBondContact O-N 3.03Å; V863-R866 PolarHBondContact O-N 3.1Å; R866-A868 PolarHBondContact O-N 3.48Å; R866-S869 WeakPolarHBondContact CA-OG 3.32Å; R866-S869 PolarHBondContact O-N 3.1Å; R866-S869 PolarHBondContact O-OG 3.06Å; R866-S869 VanDerWaalsContact O-OG 3.07Å; R866-V870 VanDerWaalsContact O-CB 3.29Å; R866-V870 WeakPolarHBondContact O-CB 3.39Å; R866-V870 VanDerWaalsContact O-CG2 3.27Å; R866-V870 WeakPolarHBondContact O-CG2 3.38Å; R866-V870 PolarHBondContact O-N 3.24Å
867	L	83.5	Confident	76.7	Confident	3.75 Å²	3.75	52.3 Å²	52.3	2%	0.02	28%	0.276	C	S	.	.	H	α-helix	trans	-57.2	-50.6	175.4	-79.1	170.1	0	0	0	111.7	F654 I712 S716 V718 L720 L852 V863 I864 A871	F654-L867 HydrophobicContact CD2-CB 3.78Å; F654-L867 WeakPolarHBondContact CD2-O 3.29Å; F654-L867 HydrophobicContact CE2-CB 3.71Å; F654-L867 HydrophobicContact CE2-CD2 3.82Å; F654-L867 HydrophobicContact CE2-CG 4.28Å; F654-L867 HydrophobicContact CG-CB 4.34Å; F654-L867 HydrophobicContact CZ-CB 4.23Å; F654-L867 HydrophobicContact CZ-CD1 4.41Å; F654-L867 HydrophobicContact CZ-CD2 3.92Å; F654-L867 HydrophobicContact CZ-CG 4.4Å; I712-L867 HydrophobicContact CG2-CD2 4.5Å; S716-L867 WeakPolarHBondContact OG-CD2 3.44Å; V718-L867 HydrophobicContact CB-CD2 4.06Å; V718-L867 HydrophobicContact CB-CG 4.43Å; V718-L867 HydrophobicContact CG1-CD1 4.43Å; V718-L867 HydrophobicContact CG1-CD2 4.26Å; V718-L867 HydrophobicContact CG2-CD1 4.31Å; V718-L867 HydrophobicContact CG2-CD2 4.07Å; V718-L867 HydrophobicContact CG2-CG 4.06Å; L720-L867 HydrophobicContact CD1-CD2 3.97Å; L720-L867 HydrophobicContact CD2-CD2 4.22Å; L720-L867 HydrophobicContact CG-CD2 4.4Å; L852-L867 HydrophobicContact CD1-CD1 4.35Å; V863-L867 HydrophobicContact CG1-CD1 4Å; V863-L867 HydrophobicContact CG1-CG 4.47Å; V863-L867 WeakPolarHBondContact O-CB 3.38Å; V863-L867 VanDerWaalsContact O-CG 3.31Å; V863-L867 WeakPolarHBondContact O-CG 3.33Å; V863-L867 PolarHBondContact O-N 3.32Å; I864-L867 PolarHBondContact O-N 3.13Å; L867-A871 WeakPolarHBondContact O-CB 3.38Å; L867-A871 PolarHBondContact O-N 3.32Å
868	A	84	Confident	78.1	Confident	12 Å²	12	48.7 Å²	48.7	10%	0.099	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-44.5	179.3	0	0	0	0	0	112.4	F654 I864 T865 R866 S872	F654-A868 HydrophobicContact CB-CB 4.08Å; I864-A868 VanDerWaalsContact O-CB 3.3Å; I864-A868 WeakPolarHBondContact O-CB 3.29Å; I864-A868 PolarHBondContact O-N 2.9Å; T865-A868 PolarHBondContact O-N 3.27Å; R866-A868 PolarHBondContact O-N 3.48Å; A868-S872 VanDerWaalsContact O-CB 3.25Å; A868-S872 WeakPolarHBondContact O-CB 3.36Å; A868-S872 PolarHBondContact O-N 3Å; A868-S872 PolarHBondContact O-OG 3.09Å
869	S	83.5	Confident	79.5	Confident	53.5 Å²	53.5	43.6 Å²	43.6	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-65.3	-49.5	179.1	60	0	0	0	0	111.8	T865 R866 S872 I873	T865-S869 VanDerWaalsContact O-CB 3.31Å; T865-S869 WeakPolarHBondContact O-CB 3.38Å; T865-S869 PolarHBondContact O-N 3.07Å; T865-S869 PolarHBondContact O-OG 3.19Å; R866-S869 WeakPolarHBondContact CA-OG 3.32Å; R866-S869 PolarHBondContact O-N 3.1Å; R866-S869 PolarHBondContact O-OG 3.06Å; R866-S869 VanDerWaalsContact O-OG 3.07Å; S869-S872 PolarHBondContact O-N 3.21Å; S869-S872 PolarHBondContact O-OG 3.35Å; S869-I873 WeakPolarHBondContact O-CB 3.35Å; S869-I873 WeakPolarHBondContact O-CD1 3.41Å; S869-I873 VanDerWaalsContact O-CG1 3.27Å; S869-I873 WeakPolarHBondContact O-CG1 3.3Å; S869-I873 PolarHBondContact O-N 3.23Å
870	V	85.6	Confident	80.2	Confident	24 Å²	24	47.1 Å²	47.1	15%	0.145	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-49.9	177.5	169	0	0	0	0	111.6	I712 L715 R866 S872 I873 L874	I712-V870 HydrophobicContact CG2-CG1 4.28Å; L715-V870 HydrophobicContact CB-CG1 3.51Å; L715-V870 VanDerWaalsContact CB-CG1 3.49Å; L715-V870 HydrophobicContact CB-CG2 4.41Å; L715-V870 HydrophobicContact CD1-CG1 4.35Å; R866-V870 VanDerWaalsContact O-CB 3.29Å; R866-V870 WeakPolarHBondContact O-CB 3.39Å; R866-V870 VanDerWaalsContact O-CG2 3.27Å; R866-V870 WeakPolarHBondContact O-CG2 3.38Å; R866-V870 PolarHBondContact O-N 3.24Å; V870-S872 VanDerWaalsContact C-N 3.34Å; V870-S872 PolarHBondContact O-N 2.99Å; V870-I873 PolarHBondContact O-N 3.3Å; V870-I873 VanDerWaalsContact O-N 3.17Å; V870-L874 WeakPolarHBondContact O-CB 3.45Å; V870-L874 PolarHBondContact O-N 3.23Å
871	A	85.8	Confident	80.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-47.4	178	0	0	0	0	0	111.1	F654 D657 I658 I712 L867 I873 L874 C875	F654-A871 HydrophobicContact CD2-CB 3.72Å; F654-A871 HydrophobicContact CE2-CB 4.02Å; D657-A871 HydrophobicContact CB-CB 4.46Å; I658-A871 HydrophobicContact CG1-CB 4.42Å; I712-A871 HydrophobicContact CD1-CB 4.16Å; L867-A871 WeakPolarHBondContact O-CB 3.38Å; L867-A871 PolarHBondContact O-N 3.32Å; A871-I873 VanDerWaalsContact C-N 3.27Å; A871-I873 PolarHBondContact O-N 3.22Å; A871-L874 PolarHBondContact O-N 3.34Å; A871-C875 VanDerWaalsContact O-CB 3.23Å; A871-C875 WeakPolarHBondContact O-CB 3.3Å; A871-C875 PolarHBondContact O-N 3.06Å; A871-C875 PolarHBondContact O-SG 3.35Å
872	S	84.5	Confident	79.6	Confident	18.5 Å²	18.5	53.4 Å²	53.4	13%	0.129	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-33.5	179.1	82.5	0	0	0	0	112.8	D657 A868 S869 V870 R876	D657-S872 VanDerWaalsContact OD2-CB 3.29Å; D657-S872 WeakPolarHBondContact OD2-CB 3.44Å; A868-S872 VanDerWaalsContact O-CB 3.25Å; A868-S872 WeakPolarHBondContact O-CB 3.36Å; A868-S872 PolarHBondContact O-N 3Å; A868-S872 PolarHBondContact O-OG 3.09Å; S869-S872 PolarHBondContact O-N 3.21Å; S869-S872 PolarHBondContact O-OG 3.35Å; V870-S872 VanDerWaalsContact C-N 3.34Å; V870-S872 PolarHBondContact O-N 2.99Å; S872-R876 VanDerWaalsContact O-CB 3.31Å; S872-R876 WeakPolarHBondContact O-CB 3.39Å; S872-R876 VanDerWaalsContact O-CG 3.25Å; S872-R876 WeakPolarHBondContact O-CG 3.37Å; S872-R876 PolarHBondContact O-N 3.1Å; S872-R876 PolarHBondContact O-NE 3.2Å; S872-R876 PolarHBondContact OG-NH2 2.97Å
873	I	85.3	Confident	78.4	Confident	107 Å²	107	53.7 Å²	53.7	55%	0.549	27%	0.267	S	S	.	.	H	α-helix	trans	-74.3	-51	178.3	-69.3	164.4	0	0	0	110.1	S869 V870 A871 R876 H877	S869-I873 WeakPolarHBondContact O-CB 3.35Å; S869-I873 WeakPolarHBondContact O-CD1 3.41Å; S869-I873 VanDerWaalsContact O-CG1 3.27Å; S869-I873 WeakPolarHBondContact O-CG1 3.3Å; S869-I873 PolarHBondContact O-N 3.23Å; V870-I873 PolarHBondContact O-N 3.3Å; V870-I873 VanDerWaalsContact O-N 3.17Å; A871-I873 VanDerWaalsContact C-N 3.27Å; A871-I873 PolarHBondContact O-N 3.22Å; I873-R876 PolarHBondContact O-N 3.32Å; I873-H877 PolarHBondContact O-N 3.03Å
874	L	85.4	Confident	76.8	Confident	18 Å²	18	56.8 Å²	56.8	9%	0.094	29%	0.29	C	S	.	.	H	α-helix	trans	-66.5	-45	-177	-168.6	77.2	0	0	0	111.7	I708 E711 I712 L715 V870 A871 R876 H877 V878	I708-L874 HydrophobicContact CG2-CD2 4.17Å; E711-L874 HydrophobicContact CB-CD1 4.45Å; E711-L874 HydrophobicContact CB-CD2 3.58Å; I712-L874 HydrophobicContact CD1-CD2 4.42Å; I712-L874 HydrophobicContact CG1-CD2 3.56Å; L715-L874 HydrophobicContact CD1-CD1 4.12Å; V870-L874 WeakPolarHBondContact O-CB 3.45Å; V870-L874 PolarHBondContact O-N 3.23Å; A871-L874 PolarHBondContact O-N 3.34Å; L874-R876 VanDerWaalsContact C-N 3.29Å; L874-R876 PolarHBondContact O-N 3.08Å; L874-H877 CarbonylContact O-C 3.57Å; L874-H877 WeakPolarHBondContact O-CA 3.34Å; L874-H877 WeakPolarHBondContact O-CB 3.35Å; L874-H877 PolarHBondContact O-N 2.89Å; L874-H877 VanDerWaalsContact O-N 3.08Å; L874-V878 WeakPolarHBondContact O-CG2 3.38Å; L874-V878 PolarHBondContact O-N 2.99Å
875	C	86	Confident	74.9	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.014	31%	0.314	C	S	.	.	H	α-helix	trans	-61.6	-38.4	178	-61.9	0	0	0	0	111.2	D657 C661 A871 H877 V878 M879	D657-C875 PolarHBondContact O-SG 2.91Å; D657-C875 VanDerWaalsContact O-SG 3.37Å; C661-C875 HydrophobicContact CB-CB 3.87Å; C661-C875 WeakPolarHBondContact CB-SG 3.36Å; C661-C875 VanDerWaalsContact SG-SG 3.63Å; A871-C875 VanDerWaalsContact O-CB 3.23Å; A871-C875 WeakPolarHBondContact O-CB 3.3Å; A871-C875 PolarHBondContact O-N 3.06Å; A871-C875 PolarHBondContact O-SG 3.35Å; C875-H877 VanDerWaalsContact C-N 3.35Å; C875-V878 PolarHBondContact O-N 3.34Å; C875-M879 HydrophobicContact CB-CE 4.41Å; C875-M879 WeakPolarHBondContact O-CB 3.44Å; C875-M879 VanDerWaalsContact O-CE 3.32Å; C875-M879 WeakPolarHBondContact O-CE 3.38Å; C875-M879 WeakPolarHBondContact O-CG 3.28Å; C875-M879 PolarHBondContact O-N 3.09Å
876	R	83.6	Confident	72.8	Confident	134.75 Å²	134.75	65.1 Å²	65.1	51%	0.508	33%	0.331	S	S	.	.	H	α-helix	trans	-66.9	-34.3	171.5	-78.3	-178.4	-77.3	-171.1	-6	113	S872 I873 L874 M879 N880	S872-R876 VanDerWaalsContact O-CB 3.31Å; S872-R876 WeakPolarHBondContact O-CB 3.39Å; S872-R876 VanDerWaalsContact O-CG 3.25Å; S872-R876 WeakPolarHBondContact O-CG 3.37Å; S872-R876 PolarHBondContact O-N 3.1Å; S872-R876 PolarHBondContact O-NE 3.2Å; S872-R876 PolarHBondContact OG-NH2 2.97Å; I873-R876 PolarHBondContact O-N 3.32Å; L874-R876 VanDerWaalsContact C-N 3.29Å; L874-R876 PolarHBondContact O-N 3.08Å; R876-M879 HydrophobicContact CG-CE 4.21Å; R876-N880 WeakPolarHBondContact O-CB 3.42Å; R876-N880 VanDerWaalsContact O-CG 3.32Å; R876-N880 PolarHBondContact O-N 3.08Å; R876-N880 VanDerWaalsContact O-N 3.08Å; R876-N880 PolarHBondContact O-ND2 3.3Å
877	H	82.9	Confident	70.6	Confident	96.75 Å²	96.75	64.8 Å²	64.8	45%	0.448	34%	0.34	S	S	.	.	H	α-helix	trans	-65.5	-47.6	173.1	-176.2	78.8	0	0	0	111.5	I873 L874 C875 M879 N880 K881	I873-H877 PolarHBondContact O-N 3.03Å; L874-H877 CarbonylContact O-C 3.57Å; L874-H877 WeakPolarHBondContact O-CA 3.34Å; L874-H877 WeakPolarHBondContact O-CB 3.35Å; L874-H877 PolarHBondContact O-N 2.89Å; L874-H877 VanDerWaalsContact O-N 3.08Å; C875-H877 VanDerWaalsContact C-N 3.35Å; H877-M879 PolarHBondContact O-N 3.37Å; H877-N880 PolarHBondContact O-N 3.16Å; H877-K881 PolarHBondContact NE2-NZ 2.84Å; H877-K881 VanDerWaalsContact NE2-NZ 3.12Å; H877-K881 VanDerWaalsContact O-CB 3.29Å; H877-K881 WeakPolarHBondContact O-CB 3.42Å; H877-K881 PolarHBondContact O-N 3.13Å
878	V	80.6	Confident	68.2	Low	19.5 Å²	19.5	66.7 Å²	66.7	12%	0.118	36%	0.36	C	S	.	.	H	α-helix	trans	-59.5	-47.3	178	172.3	0	0	0	0	111.4	Y664 I708 L874 C875 N880 K881 N882	Y664-V878 HydrophobicContact CD1-CG1 4.38Å; Y664-V878 HydrophobicContact CE1-CG1 4.45Å; I708-V878 HydrophobicContact CD1-CB 4.48Å; I708-V878 HydrophobicContact CD1-CG1 3.95Å; I708-V878 HydrophobicContact CD1-CG2 4.02Å; I708-V878 HydrophobicContact CG1-CG2 4.46Å; L874-V878 WeakPolarHBondContact O-CG2 3.38Å; L874-V878 PolarHBondContact O-N 2.99Å; C875-V878 PolarHBondContact O-N 3.34Å; V878-N880 VanDerWaalsContact C-N 3.29Å; V878-N880 PolarHBondContact O-N 3.01Å; V878-K881 PolarHBondContact O-N 3.03Å; V878-N882 PolarHBondContact O-N 3.07Å
879	M	80.3	Confident	66	Low	48.25 Å²	48.25	71.9 Å²	71.9	24%	0.238	39%	0.385	C	S	.	.	H	α-helix	trans	-61.7	-35.1	177	-72.9	-174.8	-72.6	0	0	113.1	T660 Y664 C875 R876 H877 N883	T660-M879 HydrophobicContact CG2-SD 4.33Å; Y664-M879 HydrophobicContact CD1-CG 3.9Å; Y664-M879 HydrophobicContact CD2-CG 4.29Å; Y664-M879 HydrophobicContact CE1-CB 4.45Å; Y664-M879 HydrophobicContact CE1-CG 4.25Å; Y664-M879 HydrophobicContact CG-CG 3.92Å; Y664-M879 PolarHBondContact OH-O 3.25Å; C875-M879 HydrophobicContact CB-CE 4.41Å; C875-M879 WeakPolarHBondContact O-CB 3.44Å; C875-M879 VanDerWaalsContact O-CE 3.32Å; C875-M879 WeakPolarHBondContact O-CE 3.38Å; C875-M879 WeakPolarHBondContact O-CG 3.28Å; C875-M879 PolarHBondContact O-N 3.09Å; R876-M879 HydrophobicContact CG-CE 4.21Å; H877-M879 PolarHBondContact O-N 3.37Å; M879-N883 VanDerWaalsContact O-CG 3.25Å; M879-N883 PolarHBondContact O-ND2 3.33Å; M879-N883 VanDerWaalsContact O-ND2 3.13Å; M879-N883 PolarHBondContact O-OD1 2.92Å
880	N	75.9	Confident	63.7	Low	109.25 Å²	109.25	76.2 Å²	76.2	58%	0.584	40%	0.403	S	S	*	.	H	α-helix	trans	-80.5	-36.6	178.9	-75.8	-26.2	0	0	0	113.4	R876 H877 V878 N882 N883 S884	R876-N880 WeakPolarHBondContact O-CB 3.42Å; R876-N880 VanDerWaalsContact O-CG 3.32Å; R876-N880 PolarHBondContact O-N 3.08Å; R876-N880 VanDerWaalsContact O-N 3.08Å; R876-N880 PolarHBondContact O-ND2 3.3Å; H877-N880 PolarHBondContact O-N 3.16Å; V878-N880 VanDerWaalsContact C-N 3.29Å; V878-N880 PolarHBondContact O-N 3.01Å; N880-N882 VanDerWaalsContact C-N 3.28Å; N880-N882 PolarHBondContact O-N 3.12Å; N880-N883 WeakPolarHBondContact O-CB 3.47Å; N880-N883 PolarHBondContact O-N 2.77Å; N880-S884 PolarHBondContact O-N 3.07Å
881	K	65.3	Low	61.2	Low	118.75 Å²	118.75	82.8 Å²	82.8	52%	0.516	43%	0.43	S	S	.	.	H	α-helix	trans	-64.1	-40.2	-172.4	-173.6	176.7	-170.5	166.6	0	112.9	H877 V878 S884 L885	H877-K881 PolarHBondContact NE2-NZ 2.84Å; H877-K881 VanDerWaalsContact NE2-NZ 3.12Å; H877-K881 VanDerWaalsContact O-CB 3.29Å; H877-K881 WeakPolarHBondContact O-CB 3.42Å; H877-K881 PolarHBondContact O-N 3.13Å; V878-K881 PolarHBondContact O-N 3.03Å; K881-S884 PolarHBondContact O-N 3.04Å; K881-S884 PolarHBondContact O-OG 3.03Å; K881-S884 VanDerWaalsContact O-OG 3.1Å; K881-L885 PolarHBondContact O-N 3.02Å
882	N	54.6	Low	58.6	Low	59.5 Å²	59.5	90 Å²	90	32%	0.318	47%	0.469	S	S	.	.	H	α-helix	trans	-73.5	-32.2	179.7	-71.6	6.9	0	0	0	112.1	Y664 N668 V878 N880 S884 L885 L886	Y664-N882 HydrophobicContact CE1-CB 4.35Å; Y664-N882 WeakPolarHBondContact OH-CB 3.44Å; N668-N882 PolarHBondContact ND2-ND2 3.12Å; V878-N882 PolarHBondContact O-N 3.07Å; N880-N882 VanDerWaalsContact C-N 3.28Å; N880-N882 PolarHBondContact O-N 3.12Å; N882-S884 VanDerWaalsContact C-N 3.3Å; N882-S884 PolarHBondContact O-N 2.99Å; N882-L885 WeakPolarHBondContact O-CB 3.43Å; N882-L885 PolarHBondContact O-N 3.14Å; N882-L886 PolarHBondContact O-N 3.05Å; N882-L886 VanDerWaalsContact O-N 3.08Å
883	N	47	Very low	56.1	Low	83.25 Å²	83.25	96.2 Å²	96.2	45%	0.445	50%	0.501	S	S	.	.	H	α-helix	trans	-62	-39.1	175.1	-66.6	-12	0	0	0	111.8	Y664 M879 N880 L885 L886 D887	Y664-N883 PolarHBondContact OH-OD1 3.26Å; Y664-N883 VanDerWaalsContact OH-OD1 3.08Å; M879-N883 VanDerWaalsContact O-CG 3.25Å; M879-N883 PolarHBondContact O-ND2 3.33Å; M879-N883 VanDerWaalsContact O-ND2 3.13Å; M879-N883 PolarHBondContact O-OD1 2.92Å; N880-N883 WeakPolarHBondContact O-CB 3.47Å; N880-N883 PolarHBondContact O-N 2.77Å; N883-L885 VanDerWaalsContact C-N 3.3Å; N883-L885 PolarHBondContact O-N 3.06Å; N883-L885 VanDerWaalsContact O-N 3.13Å; N883-L886 PolarHBondContact O-N 3.24Å; N883-D887 WeakPolarHBondContact O-CB 3.34Å; N883-D887 PolarHBondContact O-N 3.28Å; N883-D887 VanDerWaalsContact O-N 3.09Å
884	S	41.7	Very low	53.5	Low	84.25 Å²	84.25	96 Å²	96	59%	0.589	51%	0.508	S	S	*	.	H	α-helix	trans	-72.4	-12	176.4	61.8	0	0	0	0	114.7	N880 K881 N882 G888	N880-S884 PolarHBondContact O-N 3.07Å; K881-S884 PolarHBondContact O-N 3.04Å; K881-S884 PolarHBondContact O-OG 3.03Å; K881-S884 VanDerWaalsContact O-OG 3.1Å; N882-S884 VanDerWaalsContact C-N 3.3Å; N882-S884 PolarHBondContact O-N 2.99Å; S884-G888 PolarHBondContact O-N 2.83Å
885	L	37.7	Very low	50.8	Low	104.75 Å²	104.75	102.8 Å²	102.8	55%	0.548	55%	0.545	S	S	.	.	H	α-helix	trans	-90.2	-28.9	180	-141.5	154.5	0	0	0	111.6	K881 N882 N883 G888 I889	K881-L885 PolarHBondContact O-N 3.02Å; N882-L885 WeakPolarHBondContact O-CB 3.43Å; N882-L885 PolarHBondContact O-N 3.14Å; N883-L885 VanDerWaalsContact C-N 3.3Å; N883-L885 PolarHBondContact O-N 3.06Å; N883-L885 VanDerWaalsContact O-N 3.13Å; L885-G888 WeakPolarHBondContact O-CA 3.46Å; L885-G888 PolarHBondContact O-N 3.11Å; L885-G888 VanDerWaalsContact O-N 3.08Å; L885-I889 HydrophobicContact CD2-CD1 4.08Å; L885-I889 HydrophobicContact CD2-CG1 4.27Å; L885-I889 PolarHBondContact O-N 3.28Å; L885-I889 VanDerWaalsContact O-N 3.1Å
886	L	35.4	Very low	48.1	Very low	130.75 Å²	130.75	109 Å²	109	69%	0.685	58%	0.583	S	S	*	*	H	α-helix	trans	-69.2	-38.2	171.4	-84.1	138.4	0	0	0	112.5	N882 N883 G888 I889	N882-L886 PolarHBondContact O-N 3.05Å; N882-L886 VanDerWaalsContact O-N 3.08Å; N883-L886 PolarHBondContact O-N 3.24Å; L886-G888 PolarHBondContact O-N 3.16Å; L886-G888 VanDerWaalsContact O-N 3.11Å; L886-I889 PolarHBondContact O-N 2.98Å
887	D	34.5	Very low	45.3	Very low	132.25 Å²	132.25	113.8 Å²	113.8	71%	0.707	60%	0.601	S	S	*	*	H	α-helix	trans	-74.2	-5.9	176.5	-99.8	4	0	0	0	113.6	N883 K891	N883-D887 WeakPolarHBondContact O-CB 3.34Å; N883-D887 PolarHBondContact O-N 3.28Å; N883-D887 VanDerWaalsContact O-N 3.09Å; D887-K891 PolarHBondContact O-NZ 3.32Å; D887-K891 IonicContact OD2-NZ 2.84Å; D887-K891 PolarHBondContact OD2-NZ 2.76Å
888	G	33	Very low	42.8	Very low	42.75 Å²	42.75	116.8 Å²	116.8	44%	0.441	62%	0.619	S	S	.	*	H	α-helix	trans	-101.4	-26	-172.9	0	0	0	0	0	116	S884 L885 L886 D890 K891	S884-G888 PolarHBondContact O-N 2.83Å; L885-G888 WeakPolarHBondContact O-CA 3.46Å; L885-G888 PolarHBondContact O-N 3.11Å; L885-G888 VanDerWaalsContact O-N 3.08Å; L886-G888 PolarHBondContact O-N 3.16Å; L886-G888 VanDerWaalsContact O-N 3.11Å; G888-D890 VanDerWaalsContact C-N 3.26Å; G888-D890 PolarHBondContact O-N 2.89Å; G888-K891 PolarHBondContact O-N 2.84Å
889	I	37.9	Very low	40.2	Very low	121.5 Å²	121.5	123.1 Å²	123.1	62%	0.623	65%	0.646	S	S	*	*	H	α-helix	trans	-78.8	-13.3	-169	-63.7	174.6	0	0	0	112.2	L885 L886 K891 N892	L885-I889 HydrophobicContact CD2-CD1 4.08Å; L885-I889 HydrophobicContact CD2-CG1 4.27Å; L885-I889 PolarHBondContact O-N 3.28Å; L885-I889 VanDerWaalsContact O-N 3.1Å; L886-I889 PolarHBondContact O-N 2.98Å; I889-K891 VanDerWaalsContact C-N 3.31Å; I889-K891 PolarHBondContact O-N 3.07Å; I889-K891 VanDerWaalsContact O-N 3.13Å; I889-N892 PolarHBondContact O-N 3.05Å
890	D	34.1	Very low	37.7	Very low	143.75 Å²	143.75	127.7 Å²	127.7	77%	0.769	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-90.1	13.8	179.6	-91	-12.4	0	0	0	113.7	G888 N892	G888-D890 VanDerWaalsContact C-N 3.26Å; G888-D890 PolarHBondContact O-N 2.89Å; D890-N892 VanDerWaalsContact C-N 3.28Å; D890-N892 PolarHBondContact O-N 3.47Å
891	K	34.6	Very low	35.4	Very low	163 Å²	163	125.7 Å²	125.7	71%	0.709	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-104.3	10.3	-177.5	-83.3	174.2	179.7	127.2	0	114.9	D887 G888 I889 N893 S894	D887-K891 PolarHBondContact O-NZ 3.32Å; D887-K891 IonicContact OD2-NZ 2.84Å; D887-K891 PolarHBondContact OD2-NZ 2.76Å; G888-K891 PolarHBondContact O-N 2.84Å; I889-K891 VanDerWaalsContact C-N 3.31Å; I889-K891 PolarHBondContact O-N 3.07Å; I889-K891 VanDerWaalsContact O-N 3.13Å; K891-N893 VanDerWaalsContact C-N 3.32Å; K891-N893 PolarHBondContact O-N 3.12Å; K891-N893 VanDerWaalsContact O-N 3.12Å; K891-S894 WeakPolarHBondContact O-CB 3.38Å; K891-S894 PolarHBondContact O-OG 3.25Å
892	N	31.1	Very low	33.5	Very low	152.5 Å²	152.5	131 Å²	131	82%	0.816	70%	0.695	S	S	*	*			trans	-86.2	34.2	173.2	-77	-19.3	0	0	0	112.8	I889 D890 S894	I889-N892 PolarHBondContact O-N 3.05Å; D890-N892 VanDerWaalsContact C-N 3.28Å; D890-N892 PolarHBondContact O-N 3.47Å; N892-S894 PolarHBondContact O-N 3.47Å
893	N	31.4	Very low	32.2	Very low	148.25 Å²	148.25	135.8 Å²	135.8	79%	0.793	71%	0.714	S	S	*	*	S	Bend	trans	-141.5	92.8	161.2	-87.8	-31	0	0	0	113.4	K891 N895	K891-N893 VanDerWaalsContact C-N 3.32Å; K891-N893 PolarHBondContact O-N 3.12Å; K891-N893 VanDerWaalsContact O-N 3.12Å; N893-N895 PolarHBondContact O-N 2.82Å
894	S	31.1	Very low	31.3	Very low	101.5 Å²	101.5	138.6 Å²	138.6	71%	0.71	73%	0.729	S	S	*	*			trans	55.6	96.7	158.6	46.4	0	0	0	0	116	K891 N892 T896	K891-S894 WeakPolarHBondContact O-CB 3.38Å; K891-S894 PolarHBondContact O-OG 3.25Å; N892-S894 PolarHBondContact O-N 3.47Å; S894-T896 PolarHBondContact O-N 3.33Å
895	N	27.4	Very low	30.7	Very low	162.5 Å²	162.5	141.7 Å²	141.7	87%	0.869	74%	0.738	S	S	*	*			trans	-73.9	111.9	156.5	-72.5	-45	0	0	0	113.1	N893	N893-N895 PolarHBondContact O-N 2.82Å
896	T	29.5	Very low	30.1	Very low	130.75 Å²	130.75	143.7 Å²	143.7	80%	0.802	75%	0.748	S	S	*	*			trans	-171.4	133.6	156.3	46.6	0	0	0	0	112	S894 I898	S894-T896 PolarHBondContact O-N 3.33Å; T896-I898 PolarHBondContact O-N 3.04Å
897	R	25.9	Very low	29.7	Very low	236 Å²	236	143.3 Å²	143.3	89%	0.891	75%	0.746	S	S	*	*			trans	43.6	88.8	155.5	-78.2	-176.1	-179.2	167.6	1	114.7	H899	R897-H899 PolarHBondContact O-N 3.24Å; R897-H899 VanDerWaalsContact O-N 3.16Å
898	I	29.1	Very low	29.3	Very low	160 Å²	160	144.3 Å²	144.3	82%	0.821	75%	0.747	S	S	*	*			trans	-108.1	105.2	139.9	-65	168.3	0	0	0	108.7	T896	T896-I898 PolarHBondContact O-N 3.04Å
899	H	27.2	Very low	29.2	Very low	151 Å²	151	148.3 Å²	148.3	70%	0.699	76%	0.757	S	S	*	*			trans	-177	131.5	156.7	-105.2	-87.2	0	0	0	114.4	R897	R897-H899 PolarHBondContact O-N 3.24Å; R897-H899 VanDerWaalsContact O-N 3.16Å
900	N	27.8	Very low	28.7	Very low	144.5 Å²	144.5	146.6 Å²	146.6	77%	0.773	75%	0.754	S	S	*	*			trans	81.5	120.2	147.2	-61.7	-9.4	0	0	0	115.8	Q316	Q316-N900 PolarHBondContact NE2-OD1 2.93Å
901	G	27.6	Very low	28.4	Very low	68.75 Å²	68.75	146.3 Å²	146.3	71%	0.709	75%	0.752	S	S	*	*			trans	163.8	45.9	171.1	0	0	0	0	0	116.3	H903	G901-H903 VanDerWaalsContact C-N 3.3Å; G901-H903 PolarHBondContact O-N 3.07Å
902	R	25.5	Very low	28.2	Very low	230.5 Å²	230.5	142.6 Å²	142.6	87%	0.87	75%	0.747	S	S	*	*			trans	-77.2	71.3	178.3	-124.3	-176.8	-179.1	162.8	-0.1	111.8	N904 H937	R902-N904 VanDerWaalsContact C-N 3.34Å; R902-N904 PolarHBondContact O-N 2.89Å; R902-H937 PolarHBondContact NH1-NE2 2.96Å
903	H	26.8	Very low	28.1	Very low	158.5 Å²	158.5	143.1 Å²	143.1	73%	0.734	74%	0.742	S	S	*	*			trans	-113.8	98.4	170	-81.9	-79	0	0	0	111.8	G901 I905	G901-H903 VanDerWaalsContact C-N 3.3Å; G901-H903 PolarHBondContact O-N 3.07Å; H903-I905 PolarHBondContact O-N 3.11Å
904	N	27	Very low	28.1	Very low	142 Å²	142	142.2 Å²	142.2	76%	0.759	74%	0.736	S	S	*	*			trans	-16.7	92	154.9	-63.2	6.5	0	0	0	113.1	R902 L906	R902-N904 VanDerWaalsContact C-N 3.34Å; R902-N904 PolarHBondContact O-N 2.89Å; N904-L906 VanDerWaalsContact C-N 3.26Å; N904-L906 PolarHBondContact O-N 3.16Å
905	I	29	Very low	27.9	Very low	150.25 Å²	150.25	145.1 Å²	145.1	77%	0.771	74%	0.736	S	S	*	*			trans	-89	76	156.6	-55.2	178.2	0	0	0	107.4	H903 L907	H903-I905 PolarHBondContact O-N 3.11Å; I905-L907 VanDerWaalsContact C-N 3.27Å; I905-L907 HydrophobicContact CG2-CD1 3.94Å; I905-L907 PolarHBondContact O-N 3.3Å; I905-L907 VanDerWaalsContact O-N 3.15Å
906	L	25.1	Very low	27.9	Very low	146 Å²	146	144 Å²	144	76%	0.764	73%	0.726	S	S	*	*			trans	-75.3	95.4	169.1	-164.3	162.8	0	0	0	106.1	N904 E908	N904-L906 VanDerWaalsContact C-N 3.26Å; N904-L906 PolarHBondContact O-N 3.16Å; L906-E908 PolarHBondContact O-N 3.14Å; L906-E908 VanDerWaalsContact O-N 3.08Å
907	L	27.9	Very low	27.8	Very low	122.75 Å²	122.75	142.8 Å²	142.8	64%	0.643	72%	0.722	S	S	*	*			trans	-61.5	107.9	-178.4	-147.5	80.2	0	0	0	109	I905 L909	I905-L907 VanDerWaalsContact C-N 3.27Å; I905-L907 HydrophobicContact CG2-CD1 3.94Å; I905-L907 PolarHBondContact O-N 3.3Å; I905-L907 VanDerWaalsContact O-N 3.15Å; L907-L909 VanDerWaalsContact C-N 3.31Å; L907-L909 WeakPolarHBondContact O-CD1 3.47Å; L907-L909 PolarHBondContact O-N 3.25Å; L907-L909 VanDerWaalsContact O-N 3.09Å
908	E	26.5	Very low	27.7	Very low	154.5 Å²	154.5	137.2 Å²	137.2	72%	0.722	71%	0.714	S	S	*	*			trans	-68.9	94.5	179	-65.4	-165.9	142.2	0	0	109.7	R579 L906 P910	R579-E908 IonicContact CZ-OE1 3.75Å; R579-E908 IonicContact CZ-OE2 2.82Å; R579-E908 IonicContact NH1-OE1 2.66Å; R579-E908 PolarHBondContact NH1-OE1 3.46Å; R579-E908 IonicContact NH1-OE2 3.59Å; R579-E908 PolarHBondContact NH1-OE2 3.08Å; R579-E908 IonicContact NH2-OE1 2.69Å; R579-E908 PolarHBondContact NH2-OE1 2.92Å; R579-E908 IonicContact NH2-OE2 2.81Å; R579-E908 PolarHBondContact NH2-OE2 3.42Å; L906-E908 PolarHBondContact O-N 3.14Å; L906-E908 VanDerWaalsContact O-N 3.08Å; E908-P910 WeakPolarHBondContact O-CD 3.44Å
909	L	29.5	Very low	27.6	Very low	125.75 Å²	125.75	137.2 Å²	137.2	66%	0.658	72%	0.716	S	S	*	*			trans	-59.5	134	169	-84.5	77.6	0	0	0	109	L907 L911	L907-L909 VanDerWaalsContact C-N 3.31Å; L907-L909 WeakPolarHBondContact O-CD1 3.47Å; L907-L909 PolarHBondContact O-N 3.25Å; L907-L909 VanDerWaalsContact O-N 3.09Å; L909-L911 PolarHBondContact O-N 3.05Å
910	P	27.5	Very low	27.6	Very low	86.5 Å²	86.5	137 Å²	137	56%	0.562	72%	0.72	S	S	*	*			trans	-64.5	110.3	174.6	26.9	-33.7	0	0	0	110.1	E908 S912 F913	E908-P910 WeakPolarHBondContact O-CD 3.44Å; P910-S912 PolarHBondContact O-N 3.1Å; P910-F913 PolarHBondContact O-N 3.06Å; P910-F913 VanDerWaalsContact O-N 3.14Å
911	L	29.4	Very low	27.7	Very low	136.25 Å²	136.25	138.5 Å²	138.5	71%	0.713	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-61.6	-6.3	-178.6	-106.5	131	0	0	0	113.9	L909 F913 L914 F915	L909-L911 PolarHBondContact O-N 3.05Å; L911-F913 PolarHBondContact O-N 3.14Å; L911-L914 HydrophobicContact CD2-CD1 4.07Å; L911-L914 HydrophobicContact CG-CD1 4.25Å; L911-L914 PolarHBondContact O-N 3.05Å; L911-L914 VanDerWaalsContact O-N 3.14Å; L911-F915 HydrophobicContact CD2-CE2 4.21Å
912	S	29.6	Very low	27.8	Very low	86.25 Å²	86.25	143.1 Å²	143.1	60%	0.603	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-67.1	-19.2	176.4	53.7	0	0	0	0	114.3	P910 L914	P910-S912 PolarHBondContact O-N 3.1Å; S912-L914 VanDerWaalsContact C-N 3.3Å; S912-L914 PolarHBondContact O-N 2.72Å
913	F	29.9	Very low	28.2	Very low	162.75 Å²	162.75	140.2 Å²	140.2	71%	0.714	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-80.2	-3.5	-178.6	-117.9	-82.7	0	0	0	114.9	P910 L911 F915	P910-F913 PolarHBondContact O-N 3.06Å; P910-F913 VanDerWaalsContact O-N 3.14Å; L911-F913 PolarHBondContact O-N 3.14Å; F913-F915 VanDerWaalsContact C-N 3.26Å; F913-F915 PolarHBondContact O-N 2.98Å
914	L	29.7	Very low	28.4	Very low	128.25 Å²	128.25	140.7 Å²	140.7	67%	0.671	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-90.1	-5.2	-176.2	-83	165.7	0	0	0	115	L911 S912	L911-L914 HydrophobicContact CD2-CD1 4.07Å; L911-L914 HydrophobicContact CG-CD1 4.25Å; L911-L914 PolarHBondContact O-N 3.05Å; L911-L914 VanDerWaalsContact O-N 3.14Å; S912-L914 VanDerWaalsContact C-N 3.3Å; S912-L914 PolarHBondContact O-N 2.72Å
915	F	29	Very low	28.6	Very low	163 Å²	163	141.1 Å²	141.1	72%	0.715	71%	0.714	S	S	*	*	S	Bend	trans	-130.7	21	-170.5	-74.2	-79	0	0	0	115.5	L911 F913 S917	L911-F915 HydrophobicContact CD2-CE2 4.21Å; F913-F915 VanDerWaalsContact C-N 3.26Å; F913-F915 PolarHBondContact O-N 2.98Å; F915-S917 PolarHBondContact O-N 2.77Å
916	H	26.9	Very low	28.8	Very low	140.25 Å²	140.25	142.5 Å²	142.5	65%	0.649	71%	0.711	S	S	*	*			trans	-124.8	91.8	168.1	-101.5	-29.7	0	0	0	113	Q649 T918	Q649-H916 PolarHBondContact NE2-CD2 2.74Å; Q649-H916 PolarHBondContact OE1-CD2 2.9Å; Q649-H916 VanDerWaalsContact OE1-CD2 3.28Å; Q649-H916 PolarHBondContact OE1-CE1 2.95Å; H916-T918 VanDerWaalsContact C-N 3.29Å; H916-T918 PolarHBondContact ND1-OG1 2.93Å; H916-T918 VanDerWaalsContact ND1-OG1 3.07Å; H916-T918 PolarHBondContact O-N 2.78Å
917	S	26.4	Very low	29.2	Very low	104.25 Å²	104.25	142.5 Å²	142.5	73%	0.729	71%	0.705	S	S	*	*			trans	-96.8	130.4	159.1	55.5	0	0	0	0	111.7	F915 L919	F915-S917 PolarHBondContact O-N 2.77Å; S917-L919 PolarHBondContact O-N 2.93Å
918	T	25.3	Very low	29.4	Very low	118.25 Å²	118.25	142.7 Å²	142.7	73%	0.725	70%	0.703	S	S	*	*			trans	4.3	80.3	175.5	54.5	0	0	0	0	115.3	H916	H916-T918 VanDerWaalsContact C-N 3.29Å; H916-T918 PolarHBondContact ND1-OG1 2.93Å; H916-T918 VanDerWaalsContact ND1-OG1 3.07Å; H916-T918 PolarHBondContact O-N 2.78Å
919	L	26.6	Very low	29.5	Very low	161.5 Å²	161.5	143 Å²	143	85%	0.846	70%	0.701	S	S	*	*			trans	-156.5	74.5	158	-129.7	125.8	0	0	0	113.7	S917 H921	S917-L919 PolarHBondContact O-N 2.93Å; L919-H921 PolarHBondContact O-N 3.16Å
920	D	26	Very low	29.6	Very low	146 Å²	146	145.4 Å²	145.4	78%	0.781	70%	0.702	S	S	*	*			trans	-82.9	116.8	176.2	-80.5	-61.5	0	0	0	112.9
921	H	30.4	Very low	29.9	Very low	177 Å²	177	148.2 Å²	148.2	82%	0.819	71%	0.707	S	S	*	*	S	Bend	trans	175.7	-22.8	152.6	-109.9	-67.1	0	0	0	116.4	L919 H923	L919-H921 PolarHBondContact O-N 3.16Å; H921-H923 VanDerWaalsContact C-N 3.33Å; H921-H923 PolarHBondContact O-N 2.94Å
922	H	29.9	Very low	29.9	Very low	164.75 Å²	164.75	148.3 Å²	148.3	76%	0.763	71%	0.708	S	S	*	*	S	Bend	trans	-86.7	-5.3	-169.8	-88.2	-80.3	0	0	0	116.7	Y924	H922-Y924 VanDerWaalsContact C-N 3.3Å; H922-Y924 PolarHBondContact O-N 3.03Å
923	H	33.7	Very low	29.9	Very low	168.75 Å²	168.75	151 Å²	151	78%	0.781	72%	0.715	S	S	*	*	S	Bend	trans	-78.3	-3.2	-169.7	-139.6	72.6	0	0	0	115.5	H921 K927	H921-H923 VanDerWaalsContact C-N 3.33Å; H921-H923 PolarHBondContact O-N 2.94Å; H923-K927 PolarHBondContact O-N 3.44Å
924	Y	31.6	Very low	30	Very low	168.75 Å²	168.75	150.4 Å²	150.4	66%	0.662	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-85.1	-38.6	-176	-138.6	-95.8	0	0	0	114.2	H922 Y926 K927 Q928	H922-Y924 VanDerWaalsContact C-N 3.3Å; H922-Y924 PolarHBondContact O-N 3.03Å; Y924-Y926 VanDerWaalsContact C-N 3.31Å; Y924-Y926 PolarHBondContact O-N 3.02Å; Y924-K927 PolarHBondContact O-N 3.22Å; Y924-Q928 PolarHBondContact O-N 3.34Å; Y924-Q928 VanDerWaalsContact O-N 3.15Å
925	Q	30.5	Very low	30.1	Very low	151 Å²	151	152 Å²	152	71%	0.706	72%	0.718	S	S	*	*	H	α-helix	trans	-68.7	-30.5	-178.2	-76.4	-175	-23.6	0	0	113.3	K927 Q928 K929	Q925-K927 VanDerWaalsContact C-N 3.31Å; Q925-K927 PolarHBondContact O-N 3.21Å; Q925-Q928 PolarHBondContact O-N 3.48Å; Q925-K929 WeakPolarHBondContact O-CB 3.44Å; Q925-K929 PolarHBondContact O-N 3.07Å
926	Y	32.7	Very low	30	Very low	180 Å²	180	153.1 Å²	153.1	71%	0.706	72%	0.722	S	S	*	*	H	α-helix	trans	-69.1	-26.2	178.5	-117.3	-84.8	0	0	0	113.1	Y924 K929 R930	Y924-Y926 VanDerWaalsContact C-N 3.31Å; Y924-Y926 PolarHBondContact O-N 3.02Å; Y926-K929 PolarHBondContact O-N 2.95Å; Y926-R930 PolarHBondContact O-N 3.22Å
927	K	34	Very low	30.2	Very low	145.25 Å²	145.25	154.3 Å²	154.3	63%	0.632	73%	0.728	S	S	*	*	H	α-helix	trans	-73.9	-36.9	-179.6	-155	173.6	-176.3	-178.1	0	112.2	H923 Y924 Q925 R930 Q931 D1042	H923-K927 PolarHBondContact O-N 3.44Å; Y924-K927 PolarHBondContact O-N 3.22Å; Q925-K927 VanDerWaalsContact C-N 3.31Å; Q925-K927 PolarHBondContact O-N 3.21Å; K927-R930 PolarHBondContact O-N 2.96Å; K927-Q931 PolarHBondContact O-N 3.3Å; K927-Q931 VanDerWaalsContact O-N 3.15Å; K927-D1042 IonicContact NZ-OD2 3.74Å
928	Q	32.6	Very low	30.4	Very low	128 Å²	128	157.2 Å²	157.2	60%	0.598	73%	0.73	S	S	*	*	H	α-helix	trans	-70.6	-38.5	175.2	-86.2	179.8	-22.8	0	0	112.9	Y924 Q925 R930 Q931 L932	Y924-Q928 PolarHBondContact O-N 3.34Å; Y924-Q928 VanDerWaalsContact O-N 3.15Å; Q925-Q928 PolarHBondContact O-N 3.48Å; Q928-R930 VanDerWaalsContact C-N 3.27Å; Q928-R930 PolarHBondContact O-N 3.29Å; Q928-R930 VanDerWaalsContact O-N 3.14Å; Q928-Q931 WeakPolarHBondContact O-CB 3.37Å; Q928-Q931 PolarHBondContact O-N 3.14Å; Q928-L932 PolarHBondContact O-N 2.88Å
929	K	27.8	Very low	30.9	Very low	159.75 Å²	159.75	158.8 Å²	158.8	70%	0.695	73%	0.734	S	S	*	*	H	α-helix	trans	-69	-20.5	-177	-144	170.9	-173.6	177.9	0	113.5	Q925 Y926 Q931 L933	Q925-K929 WeakPolarHBondContact O-CB 3.44Å; Q925-K929 PolarHBondContact O-N 3.07Å; Y926-K929 PolarHBondContact O-N 2.95Å; K929-Q931 PolarHBondContact O-N 3.49Å; K929-L933 PolarHBondContact O-N 3.17Å
930	R	32.2	Very low	31.3	Very low	176 Å²	176	157.7 Å²	157.7	66%	0.664	72%	0.724	S	S	*	*	H	α-helix	trans	-75.9	-24.3	173.4	-109.1	-175.9	-178	-170.5	0.3	114	Y926 K927 Q928 L932 L933 H934 E940	Y926-R930 PolarHBondContact O-N 3.22Å; K927-R930 PolarHBondContact O-N 2.96Å; Q928-R930 VanDerWaalsContact C-N 3.27Å; Q928-R930 PolarHBondContact O-N 3.29Å; Q928-R930 VanDerWaalsContact O-N 3.14Å; R930-L932 VanDerWaalsContact C-N 3.26Å; R930-L932 PolarHBondContact O-N 3.24Å; R930-L933 PolarHBondContact O-N 3.39Å; R930-L933 VanDerWaalsContact O-N 3.17Å; R930-H934 PolarHBondContact O-CD2 3.45Å; R930-H934 VanDerWaalsContact O-CD2 3.26Å; R930-H934 PolarHBondContact O-N 3.38Å; R930-H934 VanDerWaalsContact O-N 3.07Å; R930-E940 IonicContact CZ-OE1 3.36Å; R930-E940 VanDerWaalsContact CZ-OE1 3.25Å; R930-E940 IonicContact CZ-OE2 2.85Å; R930-E940 VanDerWaalsContact NH1-CD 3.34Å; R930-E940 IonicContact NH1-OE1 3.19Å; R930-E940 PolarHBondContact NH1-OE1 3.19Å; R930-E940 VanDerWaalsContact NH1-OE1 3.1Å; R930-E940 IonicContact NH1-OE2 3.92Å; R930-E940 PolarHBondContact NH1-OE2 3.49Å; R930-E940 IonicContact NH2-OE1 3.75Å; R930-E940 PolarHBondContact NH2-OE1 2.93Å; R930-E940 IonicContact NH2-OE2 3.39Å; R930-E940 PolarHBondContact NH2-OE2 3.06Å
931	Q	33.4	Very low	32.1	Very low	146 Å²	146	155.9 Å²	155.9	68%	0.682	72%	0.715	S	S	*	*	H	α-helix	trans	-74.8	-23.6	178.1	-69.2	175.6	-47.6	0	0	112.8	K927 Q928 K929 L933 H934 Q935	K927-Q931 PolarHBondContact O-N 3.3Å; K927-Q931 VanDerWaalsContact O-N 3.15Å; Q928-Q931 WeakPolarHBondContact O-CB 3.37Å; Q928-Q931 PolarHBondContact O-N 3.14Å; K929-Q931 PolarHBondContact O-N 3.49Å; Q931-L933 VanDerWaalsContact C-N 3.26Å; Q931-L933 PolarHBondContact O-N 3.43Å; Q931-H934 PolarHBondContact O-N 3.23Å; Q931-H934 VanDerWaalsContact O-N 3.11Å; Q931-Q935 PolarHBondContact O-N 3.42Å
932	L	29.6	Very low	32.8	Very low	138.75 Å²	138.75	153.3 Å²	153.3	73%	0.726	70%	0.703	S	S	*	*	H	α-helix	trans	-91.9	-9.6	-178.8	-111.4	155.4	0	0	0	114.5	Q928 R930	Q928-L932 PolarHBondContact O-N 2.88Å; R930-L932 VanDerWaalsContact C-N 3.26Å; R930-L932 PolarHBondContact O-N 3.24Å
933	L	29.3	Very low	33.2	Very low	142.25 Å²	142.25	152.2 Å²	152.2	75%	0.745	70%	0.698	S	S	*	*	H	α-helix	trans	-104.9	1.2	176.4	-95.5	161.7	0	0	0	113.3	K929 R930 Q931 Q935	K929-L933 PolarHBondContact O-N 3.17Å; R930-L933 PolarHBondContact O-N 3.39Å; R930-L933 VanDerWaalsContact O-N 3.17Å; Q931-L933 VanDerWaalsContact C-N 3.26Å; Q931-L933 PolarHBondContact O-N 3.43Å; L933-Q935 VanDerWaalsContact C-N 3.33Å; L933-Q935 PolarHBondContact O-N 3.08Å
934	H	31.9	Very low	33.6	Very low	150.25 Å²	150.25	146.1 Å²	146.1	70%	0.696	68%	0.675	S	S	*	*			trans	-79.6	-3.8	173.9	-92.1	-71.2	0	0	0	113.2	R930 Q931 K936	R930-H934 PolarHBondContact O-CD2 3.45Å; R930-H934 VanDerWaalsContact O-CD2 3.26Å; R930-H934 PolarHBondContact O-N 3.38Å; R930-H934 VanDerWaalsContact O-N 3.07Å; Q931-H934 PolarHBondContact O-N 3.23Å; Q931-H934 VanDerWaalsContact O-N 3.11Å; H934-K936 VanDerWaalsContact C-N 3.32Å; H934-K936 PolarHBondContact O-N 3.04Å
935	Q	31.3	Very low	34	Very low	161.75 Å²	161.75	142.4 Å²	142.4	76%	0.756	66%	0.662	S	S	*	*			trans	-64	29	177.8	-115.1	170	-12.1	0	0	115.3	Q931 L933	Q931-Q935 PolarHBondContact O-N 3.42Å; L933-Q935 VanDerWaalsContact C-N 3.33Å; L933-Q935 PolarHBondContact O-N 3.08Å
936	K	28.2	Very low	34.8	Very low	185.75 Å²	185.75	137.4 Å²	137.4	81%	0.808	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-143.2	72.2	165.2	-104.4	179.5	178	-180	0	113.6	H934	H934-K936 VanDerWaalsContact C-N 3.32Å; H934-K936 PolarHBondContact O-N 3.04Å
937	H	31.1	Very low	35.4	Very low	166 Å²	166	133.6 Å²	133.6	77%	0.769	64%	0.637	S	S	*	*			trans	153.2	105.5	165.5	-78.7	-82.2	0	0	0	115.4	R902 D939	R902-H937 PolarHBondContact NH1-NE2 2.96Å; H937-D939 PolarHBondContact O-N 3.18Å
938	H	30.4	Very low	35.8	Very low	165.75 Å²	165.75	131.7 Å²	131.7	77%	0.767	63%	0.629	S	S	*	*			trans	-62.2	131.3	157.5	-86.6	-89	0	0	0	113.8
939	D	35.2	Very low	36.5	Very low	150.75 Å²	150.75	128.6 Å²	128.6	81%	0.806	62%	0.618	S	S	*	*			trans	155.2	27.6	161.5	-72.2	-19.5	0	0	0	113.5	H937 D941	H937-D939 PolarHBondContact O-N 3.18Å; D939-D941 VanDerWaalsContact C-N 3.27Å; D939-D941 PolarHBondContact O-N 3.48Å; D939-D941 VanDerWaalsContact O-N 3.11Å
940	E	35.6	Very low	37.3	Very low	138.25 Å²	138.25	124.6 Å²	124.6	65%	0.646	61%	0.605	S	S	*	*	H	α-helix	trans	-102.9	60.5	168.4	-81.7	-170.7	179.2	0	0	113.1	R930 S944 K948	R930-E940 IonicContact CZ-OE1 3.36Å; R930-E940 VanDerWaalsContact CZ-OE1 3.25Å; R930-E940 IonicContact CZ-OE2 2.85Å; R930-E940 VanDerWaalsContact NH1-CD 3.34Å; R930-E940 IonicContact NH1-OE1 3.19Å; R930-E940 PolarHBondContact NH1-OE1 3.19Å; R930-E940 VanDerWaalsContact NH1-OE1 3.1Å; R930-E940 IonicContact NH1-OE2 3.92Å; R930-E940 PolarHBondContact NH1-OE2 3.49Å; R930-E940 IonicContact NH2-OE1 3.75Å; R930-E940 PolarHBondContact NH2-OE1 2.93Å; R930-E940 IonicContact NH2-OE2 3.39Å; R930-E940 PolarHBondContact NH2-OE2 3.06Å; E940-S944 WeakPolarHBondContact O-CB 3.39Å; E940-S944 PolarHBondContact O-N 3.32Å; E940-S944 PolarHBondContact O-OG 3.4Å; E940-S944 PolarHBondContact OE2-OG 2.93Å; E940-K948 IonicContact OE1-NZ 3.22Å; E940-K948 IonicContact OE2-NZ 3.83Å; E940-K948 PolarHBondContact OE2-NZ 3.45Å
941	D	43.2	Very low	38	Very low	109.25 Å²	109.25	120.3 Å²	120.3	58%	0.584	59%	0.594	S	S	*	*	H	α-helix	trans	-48.9	20	179.8	-76.7	-24.5	0	0	0	115.7	D939 E943 S944 K945	D939-D941 VanDerWaalsContact C-N 3.27Å; D939-D941 PolarHBondContact O-N 3.48Å; D939-D941 VanDerWaalsContact O-N 3.11Å; D941-E943 PolarHBondContact O-N 3.04Å; D941-E943 VanDerWaalsContact O-N 3.17Å; D941-S944 VanDerWaalsContact O-CB 3.28Å; D941-S944 WeakPolarHBondContact O-CB 3.19Å; D941-S944 PolarHBondContact O-N 2.95Å; D941-S944 PolarHBondContact O-OG 3.12Å; D941-K945 WeakPolarHBondContact O-CB 3.14Å; D941-K945 WeakPolarHBondContact O-CD 3.12Å; D941-K945 WeakPolarHBondContact O-CE 3.04Å; D941-K945 WeakPolarHBondContact O-CG 3.24Å; D941-K945 PolarHBondContact O-N 3.1Å; D941-K945 IonicContact OD2-NZ 3.02Å; D941-K945 PolarHBondContact OD2-NZ 2.97Å
942	E	43.8	Very low	38.3	Very low	122.75 Å²	122.75	118 Å²	118	57%	0.574	59%	0.586	S	S	*	*	H	α-helix	trans	-65.5	-36.4	172.3	-82.4	-65.9	125.6	0	0	112.7	S944 K945 A946	E942-S944 VanDerWaalsContact C-N 3.32Å; E942-S944 PolarHBondContact O-N 3.33Å; E942-K945 WeakPolarHBondContact O-CB 3.34Å; E942-K945 PolarHBondContact O-N 3.16Å; E942-K945 WeakPolarHBondContact OE1-CD 3.26Å; E942-K945 WeakPolarHBondContact OE1-CE 3.34Å; E942-K945 IonicContact OE1-NZ 2.85Å; E942-K945 PolarHBondContact OE1-NZ 3.04Å; E942-A946 VanDerWaalsContact O-CB 3.23Å; E942-A946 WeakPolarHBondContact O-CB 3.42Å; E942-A946 PolarHBondContact O-N 3.31Å
943	E	39.7	Very low	38.7	Very low	141 Å²	141	117.7 Å²	117.7	66%	0.659	58%	0.575	S	S	*	*	H	α-helix	trans	-65	-37.9	176	-68.9	-157.2	138.3	0	0	112	D941 K945 A946 I947	D941-E943 PolarHBondContact O-N 3.04Å; D941-E943 VanDerWaalsContact O-N 3.17Å; E943-K945 VanDerWaalsContact C-N 3.33Å; E943-K945 PolarHBondContact O-N 3.44Å; E943-A946 PolarHBondContact O-N 3.2Å; E943-I947 VanDerWaalsContact O-CB 3.3Å; E943-I947 WeakPolarHBondContact O-CB 3.37Å; E943-I947 WeakPolarHBondContact O-CD1 3.3Å; E943-I947 VanDerWaalsContact O-CG1 3.22Å; E943-I947 WeakPolarHBondContact O-CG1 3.45Å; E943-I947 PolarHBondContact O-N 3.2Å
944	S	41.2	Very low	39.4	Very low	41.75 Å²	41.75	116.1 Å²	116.1	29%	0.292	57%	0.566	S	S	.	*	H	α-helix	trans	-63.6	-37.3	175.3	130.6	0	0	0	0	111.7	E940 D941 E942 I947 K948	E940-S944 WeakPolarHBondContact O-CB 3.39Å; E940-S944 PolarHBondContact O-N 3.32Å; E940-S944 PolarHBondContact O-OG 3.4Å; E940-S944 PolarHBondContact OE2-OG 2.93Å; D941-S944 VanDerWaalsContact O-CB 3.28Å; D941-S944 WeakPolarHBondContact O-CB 3.19Å; D941-S944 PolarHBondContact O-N 2.95Å; D941-S944 PolarHBondContact O-OG 3.12Å; E942-S944 VanDerWaalsContact C-N 3.32Å; E942-S944 PolarHBondContact O-N 3.33Å; S944-I947 PolarHBondContact O-N 3.47Å; S944-K948 VanDerWaalsContact O-CB 3.23Å; S944-K948 WeakPolarHBondContact O-CB 3.44Å; S944-K948 VanDerWaalsContact O-CD 3.24Å; S944-K948 WeakPolarHBondContact O-CD 3.37Å; S944-K948 WeakPolarHBondContact O-CE 3.36Å; S944-K948 VanDerWaalsContact O-CG 3.28Å; S944-K948 WeakPolarHBondContact O-CG 3.4Å; S944-K948 PolarHBondContact O-N 3.13Å; S944-K948 WeakPolarHBondContact OG-CE 3.38Å; S944-K948 PolarHBondContact OG-NZ 3.34Å; S944-K948 VanDerWaalsContact OG-NZ 3.09Å
945	K	40.8	Very low	39.8	Very low	91 Å²	91	114.1 Å²	114.1	40%	0.396	56%	0.56	S	S	.	*	H	α-helix	trans	-68.8	-47	172.6	-63.6	173.9	-160.7	164	0	111.1	D941 E942 E943 I947 K948 V949 L1039	D941-K945 WeakPolarHBondContact O-CB 3.14Å; D941-K945 WeakPolarHBondContact O-CD 3.12Å; D941-K945 WeakPolarHBondContact O-CE 3.04Å; D941-K945 WeakPolarHBondContact O-CG 3.24Å; D941-K945 PolarHBondContact O-N 3.1Å; D941-K945 IonicContact OD2-NZ 3.02Å; D941-K945 PolarHBondContact OD2-NZ 2.97Å; E942-K945 WeakPolarHBondContact O-CB 3.34Å; E942-K945 PolarHBondContact O-N 3.16Å; E942-K945 WeakPolarHBondContact OE1-CD 3.26Å; E942-K945 WeakPolarHBondContact OE1-CE 3.34Å; E942-K945 IonicContact OE1-NZ 2.85Å; E942-K945 PolarHBondContact OE1-NZ 3.04Å; E943-K945 VanDerWaalsContact C-N 3.33Å; E943-K945 PolarHBondContact O-N 3.44Å; K945-I947 VanDerWaalsContact C-N 3.3Å; K945-I947 PolarHBondContact O-N 3.12Å; K945-K948 PolarHBondContact O-N 3.17Å; K945-V949 VanDerWaalsContact O-CB 3.28Å; K945-V949 WeakPolarHBondContact O-CB 3.3Å; K945-V949 VanDerWaalsContact O-CG2 3.26Å; K945-V949 WeakPolarHBondContact O-CG2 3.41Å; K945-V949 PolarHBondContact O-N 2.94Å; K945-L1039 HydrophobicContact CG-CD2 4.08Å
946	A	47.4	Very low	40.3	Very low	45.5 Å²	45.5	109.8 Å²	109.8	38%	0.376	55%	0.548	S	S	.	.	H	α-helix	trans	-61.2	-38.4	179.5	0	0	0	0	0	112.6	E942 E943 V949 N950	E942-A946 VanDerWaalsContact O-CB 3.23Å; E942-A946 WeakPolarHBondContact O-CB 3.42Å; E942-A946 PolarHBondContact O-N 3.31Å; E943-A946 PolarHBondContact O-N 3.2Å; A946-V949 PolarHBondContact O-N 3.18Å; A946-N950 VanDerWaalsContact O-CB 3.26Å; A946-N950 WeakPolarHBondContact O-CB 3.28Å; A946-N950 VanDerWaalsContact O-CG 3.29Å; A946-N950 PolarHBondContact O-N 3.04Å; A946-N950 PolarHBondContact O-ND2 3.16Å; A946-N950 VanDerWaalsContact O-ND2 3.14Å
947	I	45.5	Very low	40.7	Very low	100.25 Å²	100.25	105.7 Å²	105.7	51%	0.514	54%	0.535	S	S	.	.	H	α-helix	trans	-68.3	-47.9	174.9	-69.4	165.6	0	0	0	110.6	E943 S944 K945 V949 N950 I951	E943-I947 VanDerWaalsContact O-CB 3.3Å; E943-I947 WeakPolarHBondContact O-CB 3.37Å; E943-I947 WeakPolarHBondContact O-CD1 3.3Å; E943-I947 VanDerWaalsContact O-CG1 3.22Å; E943-I947 WeakPolarHBondContact O-CG1 3.45Å; E943-I947 PolarHBondContact O-N 3.2Å; S944-I947 PolarHBondContact O-N 3.47Å; K945-I947 VanDerWaalsContact C-N 3.3Å; K945-I947 PolarHBondContact O-N 3.12Å; I947-V949 VanDerWaalsContact C-N 3.31Å; I947-V949 PolarHBondContact O-N 3.29Å; I947-N950 PolarHBondContact O-N 3Å; I947-I951 HydrophobicContact CG2-CD1 3.77Å; I947-I951 HydrophobicContact CG2-CG1 4.38Å; I947-I951 WeakPolarHBondContact O-CB 3.32Å; I947-I951 VanDerWaalsContact O-CG1 3.29Å; I947-I951 WeakPolarHBondContact O-CG1 3.35Å; I947-I951 PolarHBondContact O-N 3.12Å
948	K	42.3	Very low	40.8	Very low	105.5 Å²	105.5	106.1 Å²	106.1	46%	0.459	53%	0.534	S	S	.	.	H	α-helix	trans	-58.7	-44	175.4	-73.9	168.9	-176.5	165.1	0	111.7	E940 S944 K945 I951 L952 L1035 S1038 L1039	E940-K948 IonicContact OE1-NZ 3.22Å; E940-K948 IonicContact OE2-NZ 3.83Å; E940-K948 PolarHBondContact OE2-NZ 3.45Å; S944-K948 VanDerWaalsContact O-CB 3.23Å; S944-K948 WeakPolarHBondContact O-CB 3.44Å; S944-K948 VanDerWaalsContact O-CD 3.24Å; S944-K948 WeakPolarHBondContact O-CD 3.37Å; S944-K948 WeakPolarHBondContact O-CE 3.36Å; S944-K948 VanDerWaalsContact O-CG 3.28Å; S944-K948 WeakPolarHBondContact O-CG 3.4Å; S944-K948 PolarHBondContact O-N 3.13Å; S944-K948 WeakPolarHBondContact OG-CE 3.38Å; S944-K948 PolarHBondContact OG-NZ 3.34Å; S944-K948 VanDerWaalsContact OG-NZ 3.09Å; K945-K948 PolarHBondContact O-N 3.17Å; K948-I951 PolarHBondContact O-N 2.93Å; K948-L952 WeakPolarHBondContact O-CB 3.38Å; K948-L952 VanDerWaalsContact O-CG 3.31Å; K948-L952 WeakPolarHBondContact O-CG 3.43Å; K948-L952 PolarHBondContact O-N 3.42Å; K948-L1035 HydrophobicContact CB-CD2 3.48Å; K948-L1035 VanDerWaalsContact CB-CD2 3.48Å; K948-L1035 HydrophobicContact CD-CD2 4.28Å; K948-L1035 HydrophobicContact CG-CD2 3.6Å; K948-S1038 PolarHBondContact NZ-O 3.14Å; K948-L1039 HydrophobicContact CB-CD2 4.44Å; K948-L1039 HydrophobicContact CD-CD2 3.72Å; K948-L1039 HydrophobicContact CD-CG 4.33Å
949	V	46.4	Very low	40.9	Very low	62 Å²	62	104.8 Å²	104.8	38%	0.376	53%	0.529	S	S	.	.	H	α-helix	trans	-67.2	-39	177.1	169.7	0	0	0	0	111.8	K945 A946 I947 L952 R953	K945-V949 VanDerWaalsContact O-CB 3.28Å; K945-V949 WeakPolarHBondContact O-CB 3.3Å; K945-V949 VanDerWaalsContact O-CG2 3.26Å; K945-V949 WeakPolarHBondContact O-CG2 3.41Å; K945-V949 PolarHBondContact O-N 2.94Å; A946-V949 PolarHBondContact O-N 3.18Å; I947-V949 VanDerWaalsContact C-N 3.31Å; I947-V949 PolarHBondContact O-N 3.29Å; V949-L952 PolarHBondContact O-N 2.94Å; V949-R953 WeakPolarHBondContact O-CB 3.34Å; V949-R953 PolarHBondContact O-N 3.34Å
950	N	43.9	Very low	40.8	Very low	76.75 Å²	76.75	105.9 Å²	105.9	41%	0.41	53%	0.527	S	S	.	.	H	α-helix	trans	-70.4	-36.5	175.3	-78.5	-26.4	0	0	0	112.4	A946 I947 R953 I954	A946-N950 VanDerWaalsContact O-CB 3.26Å; A946-N950 WeakPolarHBondContact O-CB 3.28Å; A946-N950 VanDerWaalsContact O-CG 3.29Å; A946-N950 PolarHBondContact O-N 3.04Å; A946-N950 PolarHBondContact O-ND2 3.16Å; A946-N950 VanDerWaalsContact O-ND2 3.14Å; I947-N950 PolarHBondContact O-N 3Å; N950-R953 CarbonylContact O-C 3.54Å; N950-R953 WeakPolarHBondContact O-CB 3.27Å; N950-R953 PolarHBondContact O-N 3.31Å; N950-R953 VanDerWaalsContact O-N 3.16Å; N950-R953 PolarHBondContact OD1-NH1 3.26Å; N950-R953 VanDerWaalsContact OD1-NH1 3.16Å; N950-I954 WeakPolarHBondContact O-CB 3.45Å; N950-I954 WeakPolarHBondContact O-CD1 3.41Å; N950-I954 VanDerWaalsContact O-CG1 3.26Å; N950-I954 WeakPolarHBondContact O-CG1 3.41Å; N950-I954 PolarHBondContact O-N 3.17Å
951	I	47.5	Very low	40.5	Very low	86 Å²	86	106.4 Å²	106.4	44%	0.441	53%	0.534	S	S	.	.	H	α-helix	trans	-62.9	-46.2	172.2	-70.4	167.4	0	0	0	110.1	I947 K948 R953 I954 L955 L1035	I947-I951 HydrophobicContact CG2-CD1 3.77Å; I947-I951 HydrophobicContact CG2-CG1 4.38Å; I947-I951 WeakPolarHBondContact O-CB 3.32Å; I947-I951 VanDerWaalsContact O-CG1 3.29Å; I947-I951 WeakPolarHBondContact O-CG1 3.35Å; I947-I951 PolarHBondContact O-N 3.12Å; K948-I951 PolarHBondContact O-N 2.93Å; I951-R953 VanDerWaalsContact C-N 3.32Å; I951-R953 PolarHBondContact O-N 3.13Å; I951-I954 PolarHBondContact O-N 3.35Å; I951-I954 VanDerWaalsContact O-N 3.16Å; I951-L955 HydrophobicContact CG2-CD1 3.89Å; I951-L955 HydrophobicContact CG2-CG 4.27Å; I951-L955 WeakPolarHBondContact O-CB 3.43Å; I951-L955 VanDerWaalsContact O-CG 3.3Å; I951-L955 WeakPolarHBondContact O-CG 3.29Å; I951-L955 PolarHBondContact O-N 3.13Å; I951-L955 VanDerWaalsContact O-N 3.14Å; I951-L1035 HydrophobicContact CG2-CD1 4.05Å
952	L	39.9	Very low	39.9	Very low	96.25 Å²	96.25	108.4 Å²	108.4	50%	0.504	54%	0.544	S	S	.	.	H	α-helix	trans	-60.8	-38.7	173.9	-74.2	166.3	0	0	0	112.3	K948 V949 I954 L955 S956 A1032 L1035	K948-L952 WeakPolarHBondContact O-CB 3.38Å; K948-L952 VanDerWaalsContact O-CG 3.31Å; K948-L952 WeakPolarHBondContact O-CG 3.43Å; K948-L952 PolarHBondContact O-N 3.42Å; V949-L952 PolarHBondContact O-N 2.94Å; L952-I954 PolarHBondContact O-N 3.31Å; L952-L955 CarbonylContact O-C 3.53Å; L952-L955 PolarHBondContact O-N 3.19Å; L952-S956 VanDerWaalsContact O-CB 3.24Å; L952-S956 WeakPolarHBondContact O-CB 3.41Å; L952-S956 PolarHBondContact O-N 2.93Å; L952-S956 PolarHBondContact O-OG 3.18Å; L952-A1032 HydrophobicContact CD2-CB 4.33Å; L952-L1035 HydrophobicContact CD1-CD2 4.32Å; L952-L1035 HydrophobicContact CD2-CB 4.45Å; L952-L1035 HydrophobicContact CD2-CD1 4.29Å; L952-L1035 HydrophobicContact CG-CD1 4.29Å; L952-L1035 HydrophobicContact CG-CD2 4.38Å
953	R	38.8	Very low	39.1	Very low	132 Å²	132	109.2 Å²	109.2	50%	0.498	55%	0.551	S	S	.	*	H	α-helix	trans	-69.6	-34.6	176.9	-169.8	179.4	-68.6	132.3	-1.5	112.9	V949 N950 I951 L955 S956 N957	V949-R953 WeakPolarHBondContact O-CB 3.34Å; V949-R953 PolarHBondContact O-N 3.34Å; N950-R953 CarbonylContact O-C 3.54Å; N950-R953 WeakPolarHBondContact O-CB 3.27Å; N950-R953 PolarHBondContact O-N 3.31Å; N950-R953 VanDerWaalsContact O-N 3.16Å; N950-R953 PolarHBondContact OD1-NH1 3.26Å; N950-R953 VanDerWaalsContact OD1-NH1 3.16Å; I951-R953 VanDerWaalsContact C-N 3.32Å; I951-R953 PolarHBondContact O-N 3.13Å; R953-L955 VanDerWaalsContact C-N 3.31Å; R953-S956 WeakPolarHBondContact CA-OG 3.23Å; R953-S956 WeakPolarHBondContact O-CB 3.3Å; R953-S956 PolarHBondContact O-N 2.98Å; R953-S956 PolarHBondContact O-OG 3.38Å; R953-S956 VanDerWaalsContact O-OG 3.13Å; R953-N957 WeakPolarHBondContact O-CB 3.41Å; R953-N957 VanDerWaalsContact O-CG 3.28Å; R953-N957 PolarHBondContact O-N 3.08Å; R953-N957 PolarHBondContact O-OD1 3.14Å
954	I	44	Very low	38.5	Very low	110.25 Å²	110.25	109.9 Å²	109.9	57%	0.565	56%	0.559	S	S	*	*	H	α-helix	trans	-69.1	-40.4	173.1	-71.2	162.4	0	0	0	110.6	N950 I951 L952 S956 N957 K958 F960	N950-I954 WeakPolarHBondContact O-CB 3.45Å; N950-I954 WeakPolarHBondContact O-CD1 3.41Å; N950-I954 VanDerWaalsContact O-CG1 3.26Å; N950-I954 WeakPolarHBondContact O-CG1 3.41Å; N950-I954 PolarHBondContact O-N 3.17Å; I951-I954 PolarHBondContact O-N 3.35Å; I951-I954 VanDerWaalsContact O-N 3.16Å; L952-I954 PolarHBondContact O-N 3.31Å; I954-S956 VanDerWaalsContact C-N 3.31Å; I954-S956 PolarHBondContact O-N 3.49Å; I954-N957 PolarHBondContact O-N 2.73Å; I954-K958 HydrophobicContact CG2-CD 4.06Å; I954-K958 HydrophobicContact CG2-CG 4.39Å; I954-K958 WeakPolarHBondContact O-CB 3.44Å; I954-K958 WeakPolarHBondContact O-CG 3.36Å; I954-K958 PolarHBondContact O-N 3.25Å; I954-F960 HydrophobicContact CG2-CE2 4.49Å
955	L	38.7	Very low	38	Very low	108.5 Å²	108.5	117.3 Å²	117.3	57%	0.568	58%	0.582	S	S	*	*	H	α-helix	trans	-72.5	-26.3	176.4	-67.6	168.5	0	0	0	112.9	I951 L952 R953 E959 L1028 I1031	I951-L955 HydrophobicContact CG2-CD1 3.89Å; I951-L955 HydrophobicContact CG2-CG 4.27Å; I951-L955 WeakPolarHBondContact O-CB 3.43Å; I951-L955 VanDerWaalsContact O-CG 3.3Å; I951-L955 WeakPolarHBondContact O-CG 3.29Å; I951-L955 PolarHBondContact O-N 3.13Å; I951-L955 VanDerWaalsContact O-N 3.14Å; L952-L955 CarbonylContact O-C 3.53Å; L952-L955 PolarHBondContact O-N 3.19Å; R953-L955 VanDerWaalsContact C-N 3.31Å; L955-E959 PolarHBondContact O-N 3.07Å; L955-L1028 HydrophobicContact CB-CD2 4.43Å; L955-L1028 HydrophobicContact CD2-CD1 3.78Å; L955-L1028 HydrophobicContact CD2-CG 4.27Å; L955-I1031 HydrophobicContact CD1-CG2 4.25Å
956	S	42.8	Very low	37.3	Very low	71.25 Å²	71.25	117.3 Å²	117.3	50%	0.498	59%	0.594	S	S	.	*	H	α-helix	trans	-79	-27.3	177.7	160.7	0	0	0	0	113.6	L952 R953 I954 K958 E959 F960	L952-S956 VanDerWaalsContact O-CB 3.24Å; L952-S956 WeakPolarHBondContact O-CB 3.41Å; L952-S956 PolarHBondContact O-N 2.93Å; L952-S956 PolarHBondContact O-OG 3.18Å; R953-S956 WeakPolarHBondContact CA-OG 3.23Å; R953-S956 WeakPolarHBondContact O-CB 3.3Å; R953-S956 PolarHBondContact O-N 2.98Å; R953-S956 PolarHBondContact O-OG 3.38Å; R953-S956 VanDerWaalsContact O-OG 3.13Å; I954-S956 VanDerWaalsContact C-N 3.31Å; I954-S956 PolarHBondContact O-N 3.49Å; S956-K958 PolarHBondContact O-N 3.05Å; S956-E959 PolarHBondContact O-N 2.9Å; S956-F960 WeakPolarHBondContact O-CD2 3.3Å
957	N	36.2	Very low	36.3	Very low	98.5 Å²	98.5	122.5 Å²	122.5	53%	0.527	62%	0.615	S	S	.	*			trans	-81.6	102.6	-176.9	-76.4	5.3	0	0	0	111.2	R953 I954 E959 F960 D961	R953-N957 WeakPolarHBondContact O-CB 3.41Å; R953-N957 VanDerWaalsContact O-CG 3.28Å; R953-N957 PolarHBondContact O-N 3.08Å; R953-N957 PolarHBondContact O-OD1 3.14Å; I954-N957 PolarHBondContact O-N 2.73Å; N957-E959 VanDerWaalsContact C-N 3.27Å; N957-E959 PolarHBondContact O-N 3.26Å; N957-F960 PolarHBondContact O-N 2.8Å; N957-D961 PolarHBondContact O-N 3.46Å
958	K	33.8	Very low	35.5	Very low	174 Å²	174	128.1 Å²	128.1	76%	0.757	63%	0.631	S	S	*	*			trans	-73.5	47.1	177.1	-65.1	-174.8	175.6	-172	0	112.9	I954 S956	I954-K958 HydrophobicContact CG2-CD 4.06Å; I954-K958 HydrophobicContact CG2-CG 4.39Å; I954-K958 WeakPolarHBondContact O-CB 3.44Å; I954-K958 WeakPolarHBondContact O-CG 3.36Å; I954-K958 PolarHBondContact O-N 3.25Å; S956-K958 PolarHBondContact O-N 3.05Å
959	E	32.9	Very low	34.7	Very low	140.25 Å²	140.25	131.9 Å²	131.9	66%	0.655	65%	0.648	S	S	*	*			trans	-117.8	24.5	175	-85.6	-175.6	159.3	0	0	112.2	L955 S956 N957 L963 L1028	L955-E959 PolarHBondContact O-N 3.07Å; S956-E959 PolarHBondContact O-N 2.9Å; N957-E959 VanDerWaalsContact C-N 3.27Å; N957-E959 PolarHBondContact O-N 3.26Å; E959-L963 WeakPolarHBondContact O-CB 3.27Å; E959-L963 WeakPolarHBondContact O-CD1 3.47Å; E959-L963 WeakPolarHBondContact O-CG 3.3Å; E959-L1028 HydrophobicContact CG-CD2 3.76Å; E959-L1028 WeakPolarHBondContact OE1-CD2 3.19Å; E959-L1028 WeakPolarHBondContact OE2-CD2 3.45Å
960	F	32	Very low	33.7	Very low	173.25 Å²	173.25	137.3 Å²	137.3	76%	0.76	67%	0.669	S	S	*	*			trans	-110.9	3.9	175.2	-97.1	-78.7	0	0	0	113.7	I954 S956 N957 L962	I954-F960 HydrophobicContact CG2-CE2 4.49Å; S956-F960 WeakPolarHBondContact O-CD2 3.3Å; N957-F960 PolarHBondContact O-N 2.8Å; F960-L962 VanDerWaalsContact C-N 3.27Å; F960-L962 PolarHBondContact O-N 3.21Å
961	D	29.8	Very low	32.9	Very low	148 Å²	148	144.2 Å²	144.2	79%	0.791	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	43.2	176.3	-71.6	-34.5	0	0	0	112.1	N957	N957-D961 PolarHBondContact O-N 3.46Å
962	L	30.2	Very low	31.9	Very low	152.5 Å²	152.5	148.1 Å²	148.1	80%	0.798	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.2	84.2	169.6	-133.1	96.7	0	0	0	113.4	F960	F960-L962 VanDerWaalsContact C-N 3.27Å; F960-L962 PolarHBondContact O-N 3.21Å
963	L	27.8	Very low	31.2	Very low	139.25 Å²	139.25	148.9 Å²	148.9	73%	0.729	72%	0.718	S	S	*	*			trans	157.8	63.8	177	-74.3	170.9	0	0	0	115.5	E959 Y965	E959-L963 WeakPolarHBondContact O-CB 3.27Å; E959-L963 WeakPolarHBondContact O-CD1 3.47Å; E959-L963 WeakPolarHBondContact O-CG 3.3Å; L963-Y965 VanDerWaalsContact C-N 3.25Å; L963-Y965 HydrophobicContact CD2-CD2 3.81Å; L963-Y965 HydrophobicContact CD2-CE2 4.25Å; L963-Y965 PolarHBondContact O-N 3.18Å
964	D	26.5	Very low	30.6	Very low	155.25 Å²	155.25	149.5 Å²	149.5	83%	0.83	73%	0.729	S	S	*	*			trans	-46.3	80.7	154.2	-77	-26.9	0	0	0	112.4	S966	D964-S966 PolarHBondContact O-N 3.3Å
965	Y	30.1	Very low	29.7	Very low	197.25 Å²	197.25	150.6 Å²	150.6	77%	0.774	74%	0.741	S	S	*	*			trans	-103.9	96.9	156.4	-115.2	-79.7	0	0	0	110.5	E52 L963 Y968	E52-Y965 PolarHBondContact OE1-OH 3.04Å; L963-Y965 VanDerWaalsContact C-N 3.25Å; L963-Y965 HydrophobicContact CD2-CD2 3.81Å; L963-Y965 HydrophobicContact CD2-CE2 4.25Å; L963-Y965 PolarHBondContact O-N 3.18Å; Y965-Y968 HydrophobicContact CD1-CD2 4.02Å; Y965-Y968 AromaticContact CD1-CE2 3.81Å; Y965-Y968 HydrophobicContact CD1-CE2 3.81Å; Y965-Y968 AromaticContact CE1-CD2 3.83Å; Y965-Y968 HydrophobicContact CE1-CD2 3.83Å; Y965-Y968 AromaticContact CE1-CE2 3.18Å; Y965-Y968 HydrophobicContact CE1-CE2 3.18Å; Y965-Y968 AromaticContact CE1-CZ 3.8Å; Y965-Y968 AromaticContact CZ-CE2 3.91Å; Y965-Y968 PolarHBondContact OH-OH 3.41Å
966	S	26.5	Very low	29.1	Very low	90.5 Å²	90.5	151.3 Å²	151.3	63%	0.633	75%	0.75	S	S	*	*			trans	-96.8	133.8	169.1	58.8	0	0	0	0	112	D964 Y968	D964-S966 PolarHBondContact O-N 3.3Å; S966-Y968 PolarHBondContact O-N 2.79Å; S966-Y968 VanDerWaalsContact O-N 3.09Å
967	D	26.3	Very low	28.3	Very low	154 Å²	154	152.1 Å²	152.1	82%	0.824	76%	0.76	S	S	*	*			trans	67.6	91.6	166.7	-70.7	-46.9	0	0	0	115.4	K969	D967-K969 PolarHBondContact O-N 3.5Å
968	Y	29.1	Very low	27.9	Very low	219.75 Å²	219.75	153.4 Å²	153.4	86%	0.862	77%	0.772	S	S	*	*			trans	-133.1	117.6	141.7	-106.8	-74.7	0	0	0	111.5	Y965 S966	Y965-Y968 HydrophobicContact CD1-CD2 4.02Å; Y965-Y968 AromaticContact CD1-CE2 3.81Å; Y965-Y968 HydrophobicContact CD1-CE2 3.81Å; Y965-Y968 AromaticContact CE1-CD2 3.83Å; Y965-Y968 HydrophobicContact CE1-CD2 3.83Å; Y965-Y968 AromaticContact CE1-CE2 3.18Å; Y965-Y968 HydrophobicContact CE1-CE2 3.18Å; Y965-Y968 AromaticContact CE1-CZ 3.8Å; Y965-Y968 AromaticContact CZ-CE2 3.91Å; Y965-Y968 PolarHBondContact OH-OH 3.41Å; S966-Y968 PolarHBondContact O-N 2.79Å; S966-Y968 VanDerWaalsContact O-N 3.09Å
969	K	25.6	Very low	27.5	Very low	184.75 Å²	184.75	151 Å²	151	80%	0.803	77%	0.772	S	S	*	*			trans	-91.1	138.2	171.2	-79.4	178.7	176.5	176.7	0	111.1	D967 Y971	D967-K969 PolarHBondContact O-N 3.5Å; K969-Y971 PolarHBondContact O-N 3.43Å; K969-Y971 VanDerWaalsContact O-N 3.08Å
970	H	26.5	Very low	27.2	Very low	175.75 Å²	175.75	150.5 Å²	150.5	81%	0.814	78%	0.779	S	S	*	*			trans	89.4	113.1	152.1	-72	5.9	0	0	0	114.3
971	Y	26.5	Very low	27	Very low	221 Å²	221	146.7 Å²	146.7	87%	0.867	77%	0.774	S	S	*	*			trans	-131.1	157.6	132.4	-105.9	-88.3	0	0	0	109.2	K969	K969-Y971 PolarHBondContact O-N 3.43Å; K969-Y971 VanDerWaalsContact O-N 3.08Å
972	E	25.5	Very low	26.9	Very low	167.5 Å²	167.5	146.2 Å²	146.2	78%	0.783	77%	0.772	S	S	*	*			trans	-97.7	152.4	-172.9	-67.8	-178.8	127.5	0	0	114.3	I974	E972-I974 PolarHBondContact O-N 3.08Å; E972-I974 VanDerWaalsContact O-N 3.13Å
973	P	25.5	Very low	26.6	Very low	112.75 Å²	112.75	146.8 Å²	146.8	73%	0.732	77%	0.772	S	S	*	*			trans	-90.6	135.5	168.9	35.7	-31.6	0	0	0	111.5	V975	P973-V975 PolarHBondContact O-N 2.83Å
974	I	26.9	Very low	26.7	Very low	145.75 Å²	145.75	145.9 Å²	145.9	75%	0.747	77%	0.772	S	S	*	*			trans	-113.6	108.4	168.8	-59	174.1	0	0	0	110.6	E972 T976	E972-I974 PolarHBondContact O-N 3.08Å; E972-I974 VanDerWaalsContact O-N 3.13Å; I974-T976 HydrophobicContact CG2-CG2 4.38Å; I974-T976 WeakPolarHBondContact CG2-OG1 3.4Å
975	V	25.2	Very low	26.7	Very low	132 Å²	132	144 Å²	144	80%	0.8	77%	0.767	S	S	*	*			trans	-99	102.2	146.7	-179.1	0	0	0	0	109.5	P973	P973-V975 PolarHBondContact O-N 2.83Å
976	T	26	Very low	26.7	Very low	123.5 Å²	123.5	140.3 Å²	140.3	76%	0.758	77%	0.765	S	S	*	*			trans	-144.5	121.7	151.2	33.8	0	0	0	0	111.5	I974 T978	I974-T976 HydrophobicContact CG2-CG2 4.38Å; I974-T976 WeakPolarHBondContact CG2-OG1 3.4Å; T976-T978 PolarHBondContact O-N 3.37Å
977	A	25.7	Very low	26.7	Very low	88 Å²	88	142.2 Å²	142.2	73%	0.727	77%	0.768	S	S	*	*			trans	-11	137.9	157.9	0	0	0	0	0	116.8
978	T	27	Very low	26.9	Very low	126.25 Å²	126.25	140.7 Å²	140.7	78%	0.775	76%	0.76	S	S	*	*			trans	146.7	117.8	158.2	56.5	0	0	0	0	115.1	T976	T976-T978 PolarHBondContact O-N 3.37Å
979	T	25.9	Very low	26.8	Very low	123.25 Å²	123.25	136.4 Å²	136.4	76%	0.756	75%	0.748	S	S	*	*			trans	71.5	142.4	140.6	45.9	0	0	0	0	114.7
980	T	27.7	Very low	27	Very low	129.5 Å²	129.5	136.7 Å²	136.7	79%	0.794	75%	0.745	S	S	*	*			trans	130.3	132.5	139.4	33.3	0	0	0	0	114.8
981	S	26.9	Very low	27	Very low	94.5 Å²	94.5	134.5 Å²	134.5	66%	0.661	74%	0.739	S	S	*	*				78	137.9	102.1	61.3	0	0	0	0	115.4
982	N	27.3	Very low	27.1	Very low	137.75 Å²	137.75	128.5 Å²	128.5	74%	0.737	73%	0.73	S	S	*	*				162.6	132.1	107.7	-83.9	-9.2	0	0	0	111.4
983	M	25	Very low	27.2	Very low	165.25 Å²	165.25	128.8 Å²	128.8	81%	0.814	73%	0.731	S	S	*	*				77.2	129.5	90.2	-93.9	179.4	175.9	0	0	114.1
984	T	28.8	Very low	27.5	Very low	119.25 Å²	119.25	128.6 Å²	128.6	73%	0.732	73%	0.729	S	S	*	*				177	127.9	73.3	36	0	0	0	0	112.1
985	T	27.2	Very low	27.5	Very low	116 Å²	116	128.6 Å²	128.6	71%	0.712	73%	0.73	S	S	*	*				70.7	144.8	89.3	51	0	0	0	0	117.1
986	T	28.9	Very low	27.4	Very low	118.5 Å²	118.5	129.5 Å²	129.5	73%	0.727	73%	0.726	S	S	*	*				131.1	125.3	127.2	41	0	0	0	0	114.5
987	N	27.6	Very low	27.4	Very low	131.25 Å²	131.25	127.1 Å²	127.1	70%	0.702	71%	0.714	S	S	*	*				90.5	148.4	93.2	-82	17.2	0	0	0	117.1
988	D	30	Very low	27.4	Very low	123 Å²	123	128.9 Å²	128.9	66%	0.658	71%	0.711	S	S	*	*				145	140.6	94.4	-70.3	-40	0	0	0	118.1
989	Q	26.3	Very low	27.3	Very low	129.5 Å²	129.5	126.6 Å²	126.6	61%	0.605	70%	0.7	S	S	*	*			cis	118	154.5	39	-89.3	179.5	42.2	0	0	114.5
990	Y	30.1	Very low	27.3	Very low	190.75 Å²	190.75	128.9 Å²	128.9	75%	0.748	70%	0.7	S	S	*	*				136.5	111.2	120.5	-78.2	-80.3	0	0	0	116.8
991	N	27.5	Very low	27.1	Very low	129.75 Å²	129.75	132.1 Å²	132.1	69%	0.694	70%	0.698	S	S	*	*				59.6	130.9	105.6	-64.1	-10.1	0	0	0	118.9
992	S	27.3	Very low	27.1	Very low	94.25 Å²	94.25	134 Å²	134	66%	0.659	70%	0.696	S	S	*	*			cis	179.6	139.7	28.5	48.3	0	0	0	0	115.1
993	H	27.5	Very low	27.2	Very low	175 Å²	175	134.9 Å²	134.9	81%	0.81	70%	0.695	S	S	*	*				102.5	129.8	126.4	-84.8	-62.8	0	0	0	118.5
994	P	32.9	Very low	27.3	Very low	107 Å²	107	133.8 Å²	133.8	70%	0.695	69%	0.688	S	S	*	*			trans	-114.5	-174.3	173.4	40.5	-28.4	0	0	0	113.3
995	L	25.8	Very low	27.3	Very low	147.25 Å²	147.25	135.3 Å²	135.3	77%	0.771	69%	0.686	S	S	*	*			trans	147	154.2	148.8	-88.3	162.9	0	0	0	112.9
996	E	25	Very low	27.2	Very low	150.25 Å²	150.25	136.7 Å²	136.7	70%	0.702	68%	0.684	S	S	*	*				123	173.2	73.7	-107.9	-170.1	-152.9	0	0	116.5
997	S	25.3	Very low	27.2	Very low	73.75 Å²	73.75	138.2 Å²	138.2	52%	0.516	68%	0.683	S	S	.	*				-160.8	165.8	-101.4	68.2	0	0	0	0	114.4	F1193 S1194 S1195	S997-F1193 WeakPolarHBondContact O-CA 3.23Å; S997-F1193 WeakPolarHBondContact O-CB 3.25Å; S997-F1193 WeakPolarHBondContact O-CD1 3.34Å; S997-F1193 WeakPolarHBondContact O-CG 3.48Å; S997-S1194 VanDerWaalsContact O-CA 3.3Å; S997-S1194 WeakPolarHBondContact O-CA 3.38Å; S997-S1195 VanDerWaalsContact CA-OG 3.24Å; S997-S1195 WeakPolarHBondContact CA-OG 3.43Å; S997-S1195 WeakPolarHBondContact CB-OG 3.46Å
998	N	25.8	Very low	27.2	Very low	125.75 Å²	125.75	138.9 Å²	138.9	67%	0.672	68%	0.682	S	S	*	*				135.5	149.7	73.7	-88.8	-32.7	0	0	0	115.8	F1193 S1194 S1195	N998-F1193 CarbonylContact O-C 3.3Å; N998-F1193 VanDerWaalsContact O-C 3.3Å; N998-S1194 VanDerWaalsContact N-CA 3.28Å; N998-S1194 PolarHBondContact O-N 3.43Å; N998-S1195 WeakPolarHBondContact CA-O 3.36Å; N998-S1195 VanDerWaalsContact N-N 3.15Å; N998-S1195 PolarHBondContact OD1-O 3.2Å; N998-S1195 VanDerWaalsContact OD1-O 3.08Å
999	S	24.5	Very low	27.1	Very low	77.5 Å²	77.5	138.9 Å²	138.9	54%	0.542	68%	0.682	S	S	.	*				122.3	171.1	64.7	60.7	0	0	0	0	116.1	S1195	S999-S1195 WeakPolarHBondContact CA-O 3.48Å; S999-S1195 WeakPolarHBondContact CB-O 3.31Å
1000	F	26	Very low	27.2	Very low	170.5 Å²	170.5	140.4 Å²	140.4	75%	0.748	69%	0.688	S	S	*	*			trans	95.2	141.1	147.3	-75.2	-77	0	0	0	118.5
1001	R	23.9	Very low	27.2	Very low	197.6 Å²	197.6	138.2 Å²	138.2	75%	0.746	69%	0.69	S	S	*	*			cis	166.1	145.9	21.6	-125.7	177.7	-178.9	170	1.6	114.1
1002	H	27.3	Very low	27.2	Very low	134.2 Å²	134.2	139.5 Å²	139.5	62%	0.621	70%	0.697	S	S	*	*			trans	107	150.2	148.8	-66.3	-53.6	0	0	0	116.1
1003	H	28.9	Very low	27.3	Very low	156.4 Å²	156.4	141.3 Å²	141.3	72%	0.724	70%	0.703	S	S	*	*			cis	-170.3	145.7	39.6	-100.5	-63.5	0	0	0	113.5
1004	H	26.7	Very low	27.1	Very low	143 Å²	143	144.1 Å²	144.1	66%	0.662	71%	0.707	S	S	*	*			trans	24.7	145.7	149.9	-74.9	-78.3	0	0	0	115.9
1005	H	28.3	Very low	26.9	Very low	150.8 Å²	150.8	144.4 Å²	144.4	70%	0.698	71%	0.709	S	S	*	*				158.6	162.9	85.6	-91.6	-58.9	0	0	0	116.9
1006	H	26	Very low	26.8	Very low	144.2 Å²	144.2	145.6 Å²	145.6	67%	0.668	71%	0.71	S	S	*	*			trans	-47.1	146.7	168.8	-70.8	-71.7	0	0	0	115.7
1007	H	29.1	Very low	27	Very low	150.6 Å²	150.6	146 Å²	146	70%	0.697	72%	0.717	S	S	*	*				154	142.4	99.9	-87.3	-80	0	0	0	114.6
1008	Q	26.7	Very low	26.9	Very low	145.4 Å²	145.4	149.6 Å²	149.6	68%	0.679	73%	0.73	S	S	*	*				76.2	143.2	107.4	-117.8	169	-59.7	0	0	117.8
1009	D	28	Very low	27.1	Very low	123.4 Å²	123.4	148.8 Å²	148.8	66%	0.66	73%	0.734	S	S	*	*			trans	82	134	150.4	-61.8	-22.9	0	0	0	118.9
1010	H	29	Very low	27.4	Very low	160.2 Å²	160.2	153.7 Å²	153.7	74%	0.742	75%	0.749	S	S	*	*			trans	66.1	131.6	141	-85.9	-82.4	0	0	0	119.9
1011	D	30.1	Very low	27.6	Very low	145.8 Å²	145.8	150.3 Å²	150.3	78%	0.78	74%	0.744	S	S	*	*				117.5	135.8	127.8	-74.3	-16.1	0	0	0	118.2	V1013	D1011-V1013 PolarHBondContact O-N 2.85Å
1012	D	26.8	Very low	28.1	Very low	156.8 Å²	156.8	145.6 Å²	145.6	84%	0.839	74%	0.741	S	S	*	*			trans	-58.6	138.8	-178.5	-78.7	-52.9	0	0	0	117.5
1013	V	28.9	Very low	28.9	Very low	132.2 Å²	132.2	141.4 Å²	141.4	80%	0.801	73%	0.727	S	S	*	*			trans	-179.1	129.7	131.2	159.8	0	0	0	0	114	D1011 P1015	D1011-V1013 PolarHBondContact O-N 2.85Å; V1013-P1015 WeakPolarHBondContact O-CD 3.24Å
1014	R	23.7	Very low	29.4	Very low	233.8 Å²	233.8	138.9 Å²	138.9	88%	0.882	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-72.6	147.3	170	-68.3	178.2	175	177.5	-0.8	112.8
1015	P	28.8	Very low	30.1	Very low	113.2 Å²	113.2	135.7 Å²	135.7	74%	0.735	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-105.9	154.8	150.8	28.9	-18.4	0	0	0	112.7	V1013	V1013-P1015 WeakPolarHBondContact O-CD 3.24Å
1016	Q	24.6	Very low	30.7	Very low	171.6 Å²	171.6	133.3 Å²	133.3	80%	0.802	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-85.6	136.9	161	-75.4	169.1	-1.6	0	0	113.9	N1018	Q1016-N1018 VanDerWaalsContact C-N 3.31Å; Q1016-N1018 PolarHBondContact O-N 2.84Å; Q1016-N1018 VanDerWaalsContact O-N 3.17Å
1017	L	28	Very low	31.6	Very low	160.2 Å²	160.2	131 Å²	131	84%	0.839	70%	0.697	S	S	*	*			trans	-108.1	96	164.4	-139.8	83.8	0	0	0	113.1	S1019	L1017-S1019 PolarHBondContact O-N 2.98Å
1018	N	24.7	Very low	32.4	Very low	148 Å²	148	128.9 Å²	128.9	79%	0.791	69%	0.691	S	S	*	*			trans	-80.2	106.8	168.7	-67.6	-3.9	0	0	0	112.9	Q1016	Q1016-N1018 VanDerWaalsContact C-N 3.31Å; Q1016-N1018 PolarHBondContact O-N 2.84Å; Q1016-N1018 VanDerWaalsContact O-N 3.17Å
1019	S	29.7	Very low	33.4	Very low	108.6 Å²	108.6	124.4 Å²	124.4	76%	0.759	68%	0.678	S	S	*	*			trans	-155.8	122.1	157.8	58.5	0	0	0	0	110.1	L1017	L1017-S1019 PolarHBondContact O-N 2.98Å
1020	E	29.8	Very low	34.1	Very low	181.8 Å²	181.8	123.5 Å²	123.5	85%	0.85	67%	0.672	S	S	*	*			trans	-75	143.1	-172.9	-63.1	177.1	129	0	0	112.7	S1022	E1020-S1022 PolarHBondContact O-N 3.1Å; E1020-S1022 VanDerWaalsContact O-N 3.09Å
1021	P	30.2	Very low	35.1	Very low	98.4 Å²	98.4	119.9 Å²	119.9	64%	0.639	66%	0.657	S	S	*	*			trans	-79.6	122.4	179.6	24.4	-23.2	0	0	0	111.8	S1023 E1026 L1027 M1030	P1021-S1023 PolarHBondContact O-N 3.25Å; P1021-S1023 VanDerWaalsContact O-N 3.15Å; P1021-E1026 HydrophobicContact CB-CB 3.78Å; P1021-L1027 HydrophobicContact CG-CD1 4.08Å; P1021-M1030 HydrophobicContact CB-CE 4.47Å; P1021-M1030 HydrophobicContact CG-CE 3.55Å
1022	S	34	Very low	36	Very low	98.4 Å²	98.4	115.4 Å²	115.4	69%	0.688	64%	0.64	S	S	*	*			trans	-74.1	100.5	-179.6	61.6	0	0	0	0	113.8	E1020 E1026	E1020-S1022 PolarHBondContact O-N 3.1Å; E1020-S1022 VanDerWaalsContact O-N 3.09Å; S1022-E1026 WeakPolarHBondContact CB-OE2 3.4Å; S1022-E1026 PolarHBondContact N-OE2 3.19Å; S1022-E1026 PolarHBondContact OG-OE2 2.93Å
1023	S	44.1	Very low	37.1	Very low	47.2 Å²	47.2	111.1 Å²	111.1	33%	0.33	62%	0.619	S	S	.	*			trans	-108.1	141.5	-161.8	70.3	0	0	0	0	113.9	P1021 S1025 E1026 L1027	P1021-S1023 PolarHBondContact O-N 3.25Å; P1021-S1023 VanDerWaalsContact O-N 3.15Å; S1023-S1025 VanDerWaalsContact CB-OG 3.26Å; S1023-S1025 WeakPolarHBondContact CB-OG 3.37Å; S1023-S1025 PolarHBondContact O-N 3.14Å; S1023-S1025 PolarHBondContact OG-N 3.01Å; S1023-S1025 PolarHBondContact OG-OG 3.02Å; S1023-E1026 WeakPolarHBondContact CB-OE2 3.36Å; S1023-E1026 PolarHBondContact N-OE2 2.97Å; S1023-E1026 VanDerWaalsContact N-OE2 3.16Å; S1023-E1026 PolarHBondContact O-N 3.08Å; S1023-E1026 VanDerWaalsContact O-N 3.11Å; S1023-E1026 WeakPolarHBondContact OG-CB 3.3Å; S1023-E1026 VanDerWaalsContact OG-CD 3.3Å; S1023-E1026 VanDerWaalsContact OG-CG 3.25Å; S1023-E1026 WeakPolarHBondContact OG-CG 3.31Å; S1023-E1026 PolarHBondContact OG-N 2.98Å; S1023-E1026 VanDerWaalsContact OG-N 3.16Å; S1023-E1026 PolarHBondContact OG-OE2 3.12Å; S1023-L1027 PolarHBondContact O-N 3Å; S1023-L1027 VanDerWaalsContact O-N 3.17Å
1024	T	39.7	Very low	38	Very low	104 Å²	104	109.4 Å²	109.4	64%	0.638	61%	0.605	S	S	*	*	H	α-helix	trans	-55.7	-27.9	174.5	47.2	0	0	0	0	113.6	E1026 L1027 L1028 Q1943	T1024-E1026 VanDerWaalsContact C-N 3.3Å; T1024-E1026 PolarHBondContact O-N 3.32Å; T1024-L1027 PolarHBondContact O-N 3.33Å; T1024-L1028 WeakPolarHBondContact O-CB 3.32Å; T1024-L1028 PolarHBondContact O-N 3.13Å; T1024-L1028 VanDerWaalsContact O-N 3.11Å; T1024-Q1943 HydrophobicContact CG2-CB 3.59Å; T1024-Q1943 HydrophobicContact CG2-CG 3.32Å
1025	S	41.8	Very low	39	Very low	74.8 Å²	74.8	102 Å²	102	52%	0.523	58%	0.583	S	S	.	*	H	α-helix	trans	-63.6	-38	174.1	45.6	0	0	0	0	113.6	S1023 L1028 A1029	S1023-S1025 VanDerWaalsContact CB-OG 3.26Å; S1023-S1025 WeakPolarHBondContact CB-OG 3.37Å; S1023-S1025 PolarHBondContact O-N 3.14Å; S1023-S1025 PolarHBondContact OG-N 3.01Å; S1023-S1025 PolarHBondContact OG-OG 3.02Å; S1025-L1028 PolarHBondContact O-N 3.07Å; S1025-A1029 VanDerWaalsContact O-CB 3.26Å; S1025-A1029 WeakPolarHBondContact O-CB 3.45Å; S1025-A1029 PolarHBondContact O-N 3.13Å; S1025-A1029 VanDerWaalsContact O-N 3.11Å
1026	E	42.2	Very low	39.6	Very low	101.4 Å²	101.4	98.8 Å²	98.8	47%	0.474	57%	0.566	S	S	.	*	H	α-helix	trans	-71	-39.7	177.3	-72.3	177.3	126.8	0	0	111.3	P1021 S1022 S1023 T1024 L1028 A1029 M1030	P1021-E1026 HydrophobicContact CB-CB 3.78Å; S1022-E1026 WeakPolarHBondContact CB-OE2 3.4Å; S1022-E1026 PolarHBondContact N-OE2 3.19Å; S1022-E1026 PolarHBondContact OG-OE2 2.93Å; S1023-E1026 WeakPolarHBondContact CB-OE2 3.36Å; S1023-E1026 PolarHBondContact N-OE2 2.97Å; S1023-E1026 VanDerWaalsContact N-OE2 3.16Å; S1023-E1026 PolarHBondContact O-N 3.08Å; S1023-E1026 VanDerWaalsContact O-N 3.11Å; S1023-E1026 WeakPolarHBondContact OG-CB 3.3Å; S1023-E1026 VanDerWaalsContact OG-CD 3.3Å; S1023-E1026 VanDerWaalsContact OG-CG 3.25Å; S1023-E1026 WeakPolarHBondContact OG-CG 3.31Å; S1023-E1026 PolarHBondContact OG-N 2.98Å; S1023-E1026 VanDerWaalsContact OG-N 3.16Å; S1023-E1026 PolarHBondContact OG-OE2 3.12Å; T1024-E1026 VanDerWaalsContact C-N 3.3Å; T1024-E1026 PolarHBondContact O-N 3.32Å; E1026-L1028 VanDerWaalsContact C-N 3.34Å; E1026-L1028 PolarHBondContact O-N 2.97Å; E1026-A1029 PolarHBondContact O-N 3.16Å; E1026-M1030 VanDerWaalsContact O-CB 3.27Å; E1026-M1030 WeakPolarHBondContact O-CB 3.45Å; E1026-M1030 PolarHBondContact O-N 3.15Å
1027	L	43.3	Very low	40.5	Very low	94.2 Å²	94.2	97.3 Å²	97.3	49%	0.493	56%	0.557	S	S	.	*	H	α-helix	trans	-62.6	-44.6	174.3	-166.9	76.3	0	0	0	111	P1021 S1023 T1024 A1029 M1030 I1031	P1021-L1027 HydrophobicContact CG-CD1 4.08Å; S1023-L1027 PolarHBondContact O-N 3Å; S1023-L1027 VanDerWaalsContact O-N 3.17Å; T1024-L1027 PolarHBondContact O-N 3.33Å; L1027-A1029 VanDerWaalsContact C-N 3.34Å; L1027-A1029 PolarHBondContact O-N 3.03Å; L1027-M1030 PolarHBondContact O-N 3.01Å; L1027-I1031 HydrophobicContact CD2-CD1 4.39Å; L1027-I1031 HydrophobicContact CG-CD1 4.09Å; L1027-I1031 WeakPolarHBondContact O-CB 3.42Å; L1027-I1031 VanDerWaalsContact O-CG1 3.27Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.37Å; L1027-I1031 PolarHBondContact O-N 3Å
1028	L	45.5	Very low	41.2	Very low	107.8 Å²	107.8	93.4 Å²	93.4	56%	0.564	54%	0.543	S	S	*	.	H	α-helix	trans	-65.3	-40.2	178.3	-149.5	78.7	0	0	0	112	L955 E959 T1024 S1025 E1026 M1030 I1031 A1032	L955-L1028 HydrophobicContact CB-CD2 4.43Å; L955-L1028 HydrophobicContact CD2-CD1 3.78Å; L955-L1028 HydrophobicContact CD2-CG 4.27Å; E959-L1028 HydrophobicContact CG-CD2 3.76Å; E959-L1028 WeakPolarHBondContact OE1-CD2 3.19Å; E959-L1028 WeakPolarHBondContact OE2-CD2 3.45Å; T1024-L1028 WeakPolarHBondContact O-CB 3.32Å; T1024-L1028 PolarHBondContact O-N 3.13Å; T1024-L1028 VanDerWaalsContact O-N 3.11Å; S1025-L1028 PolarHBondContact O-N 3.07Å; E1026-L1028 VanDerWaalsContact C-N 3.34Å; E1026-L1028 PolarHBondContact O-N 2.97Å; L1028-M1030 VanDerWaalsContact C-N 3.31Å; L1028-M1030 PolarHBondContact O-N 2.97Å; L1028-I1031 PolarHBondContact O-N 3.38Å; L1028-A1032 VanDerWaalsContact O-CB 3.29Å; L1028-A1032 WeakPolarHBondContact O-CB 3.33Å; L1028-A1032 PolarHBondContact O-N 3.1Å
1029	A	47.9	Very low	42	Very low	49.8 Å²	49.8	91.6 Å²	91.6	41%	0.412	53%	0.532	S	S	.	.	H	α-helix	trans	-65.7	-39.8	174.3	0	0	0	0	0	112	S1025 E1026 L1027 I1031 A1032 V1033	S1025-A1029 VanDerWaalsContact O-CB 3.26Å; S1025-A1029 WeakPolarHBondContact O-CB 3.45Å; S1025-A1029 PolarHBondContact O-N 3.13Å; S1025-A1029 VanDerWaalsContact O-N 3.11Å; E1026-A1029 PolarHBondContact O-N 3.16Å; L1027-A1029 VanDerWaalsContact C-N 3.34Å; L1027-A1029 PolarHBondContact O-N 3.03Å; A1029-I1031 VanDerWaalsContact C-N 3.33Å; A1029-I1031 PolarHBondContact O-N 3.1Å; A1029-A1032 PolarHBondContact O-N 3.12Å; A1029-V1033 WeakPolarHBondContact O-CB 3.38Å; A1029-V1033 VanDerWaalsContact O-CG2 3.28Å; A1029-V1033 WeakPolarHBondContact O-CG2 3.36Å; A1029-V1033 PolarHBondContact O-N 3.3Å
1030	M	43.5	Very low	42.5	Very low	106.2 Å²	106.2	92.6 Å²	92.6	52%	0.523	53%	0.53	S	S	.	.	H	α-helix	trans	-67.7	-39.4	176.5	-151.8	-175.5	-57.1	0	0	111.9	P1021 E1026 L1027 L1028 V1033 N1034	P1021-M1030 HydrophobicContact CB-CE 4.47Å; P1021-M1030 HydrophobicContact CG-CE 3.55Å; E1026-M1030 VanDerWaalsContact O-CB 3.27Å; E1026-M1030 WeakPolarHBondContact O-CB 3.45Å; E1026-M1030 PolarHBondContact O-N 3.15Å; L1027-M1030 PolarHBondContact O-N 3.01Å; L1028-M1030 VanDerWaalsContact C-N 3.31Å; L1028-M1030 PolarHBondContact O-N 2.97Å; M1030-V1033 PolarHBondContact O-N 3.01Å; M1030-N1034 WeakPolarHBondContact O-CB 3.35Å; M1030-N1034 VanDerWaalsContact O-CG 3.3Å; M1030-N1034 PolarHBondContact O-N 3.33Å; M1030-N1034 VanDerWaalsContact O-N 3.12Å; M1030-N1034 PolarHBondContact O-ND2 3.03Å
1031	I	49.8	Very low	42.9	Very low	84 Å²	84	86.6 Å²	86.6	43%	0.431	52%	0.517	S	S	.	.	H	α-helix	trans	-62.3	-47.4	171.7	-70.7	165.6	0	0	0	110.2	L955 L1027 L1028 A1029 V1033 N1034 L1035	L955-I1031 HydrophobicContact CD1-CG2 4.25Å; L1027-I1031 HydrophobicContact CD2-CD1 4.39Å; L1027-I1031 HydrophobicContact CG-CD1 4.09Å; L1027-I1031 WeakPolarHBondContact O-CB 3.42Å; L1027-I1031 VanDerWaalsContact O-CG1 3.27Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.37Å; L1027-I1031 PolarHBondContact O-N 3Å; L1028-I1031 PolarHBondContact O-N 3.38Å; A1029-I1031 VanDerWaalsContact C-N 3.33Å; A1029-I1031 PolarHBondContact O-N 3.1Å; I1031-V1033 PolarHBondContact O-N 3.13Å; I1031-N1034 PolarHBondContact O-N 3.1Å; I1031-N1034 VanDerWaalsContact O-N 3.16Å; I1031-L1035 HydrophobicContact CG2-CD1 4.17Å; I1031-L1035 WeakPolarHBondContact O-CB 3.35Å; I1031-L1035 PolarHBondContact O-N 3.12Å
1032	A	48.4	Very low	43	Very low	50.6 Å²	50.6	88.8 Å²	88.8	42%	0.418	52%	0.523	S	S	.	.	H	α-helix	trans	-62.1	-41.2	178.5	0	0	0	0	0	112.8	L952 L1028 A1029 L1035 A1036	L952-A1032 HydrophobicContact CD2-CB 4.33Å; L1028-A1032 VanDerWaalsContact O-CB 3.29Å; L1028-A1032 WeakPolarHBondContact O-CB 3.33Å; L1028-A1032 PolarHBondContact O-N 3.1Å; A1029-A1032 PolarHBondContact O-N 3.12Å; A1032-L1035 WeakPolarHBondContact O-CB 3.32Å; A1032-L1035 PolarHBondContact O-N 3.01Å; A1032-L1035 VanDerWaalsContact O-N 3.17Å; A1032-A1036 WeakPolarHBondContact O-CB 3.3Å; A1032-A1036 PolarHBondContact O-N 2.99Å
1033	V	50.9	Low	43	Very low	67.2 Å²	67.2	92.2 Å²	92.2	41%	0.407	53%	0.528	S	S	.	.	H	α-helix	trans	-68.1	-37.5	176.2	167.9	0	0	0	0	111.8	A1029 M1030 I1031 L1035 A1036 K1037	A1029-V1033 WeakPolarHBondContact O-CB 3.38Å; A1029-V1033 VanDerWaalsContact O-CG2 3.28Å; A1029-V1033 WeakPolarHBondContact O-CG2 3.36Å; A1029-V1033 PolarHBondContact O-N 3.3Å; M1030-V1033 PolarHBondContact O-N 3.01Å; I1031-V1033 PolarHBondContact O-N 3.13Å; V1033-L1035 VanDerWaalsContact C-N 3.34Å; V1033-A1036 PolarHBondContact O-N 2.89Å; V1033-K1037 HydrophobicContact CG1-CD 4.14Å; V1033-K1037 VanDerWaalsContact O-CB 3.26Å; V1033-K1037 WeakPolarHBondContact O-CB 3.4Å; V1033-K1037 VanDerWaalsContact O-CG 3.25Å; V1033-K1037 WeakPolarHBondContact O-CG 3.39Å; V1033-K1037 PolarHBondContact O-N 2.97Å
1034	N	46.8	Very low	42.2	Very low	95.6 Å²	95.6	95.2 Å²	95.2	51%	0.511	55%	0.548	S	S	.	.	H	α-helix	trans	-72	-34.2	174.9	-75.9	-27.5	0	0	0	112.2	M1030 I1031 K1037 S1038	M1030-N1034 WeakPolarHBondContact O-CB 3.35Å; M1030-N1034 VanDerWaalsContact O-CG 3.3Å; M1030-N1034 PolarHBondContact O-N 3.33Å; M1030-N1034 VanDerWaalsContact O-N 3.12Å; M1030-N1034 PolarHBondContact O-ND2 3.03Å; I1031-N1034 PolarHBondContact O-N 3.1Å; I1031-N1034 VanDerWaalsContact O-N 3.16Å; N1034-K1037 PolarHBondContact O-N 2.97Å; N1034-S1038 VanDerWaalsContact O-CB 3.26Å; N1034-S1038 WeakPolarHBondContact O-CB 3.37Å; N1034-S1038 PolarHBondContact O-N 3.01Å; N1034-S1038 VanDerWaalsContact O-N 3.15Å
1035	L	44.3	Very low	41.6	Very low	78.8 Å²	78.8	97.4 Å²	97.4	41%	0.413	56%	0.556	S	S	.	*	H	α-helix	trans	-65.4	-43.5	171.2	-107.5	161	0	0	0	111.6	K948 I951 L952 I1031 A1032 V1033 K1037 S1038 L1039	K948-L1035 HydrophobicContact CB-CD2 3.48Å; K948-L1035 VanDerWaalsContact CB-CD2 3.48Å; K948-L1035 HydrophobicContact CD-CD2 4.28Å; K948-L1035 HydrophobicContact CG-CD2 3.6Å; I951-L1035 HydrophobicContact CG2-CD1 4.05Å; L952-L1035 HydrophobicContact CD1-CD2 4.32Å; L952-L1035 HydrophobicContact CD2-CB 4.45Å; L952-L1035 HydrophobicContact CD2-CD1 4.29Å; L952-L1035 HydrophobicContact CG-CD1 4.29Å; L952-L1035 HydrophobicContact CG-CD2 4.38Å; I1031-L1035 HydrophobicContact CG2-CD1 4.17Å; I1031-L1035 WeakPolarHBondContact O-CB 3.35Å; I1031-L1035 PolarHBondContact O-N 3.12Å; A1032-L1035 WeakPolarHBondContact O-CB 3.32Å; A1032-L1035 PolarHBondContact O-N 3.01Å; A1032-L1035 VanDerWaalsContact O-N 3.17Å; V1033-L1035 VanDerWaalsContact C-N 3.34Å; L1035-K1037 PolarHBondContact O-N 3.47Å; L1035-S1038 CarbonylContact O-C 3.58Å; L1035-S1038 WeakPolarHBondContact O-CA 3.47Å; L1035-S1038 WeakPolarHBondContact O-CB 3.3Å; L1035-S1038 PolarHBondContact O-N 2.97Å; L1035-S1038 VanDerWaalsContact O-N 3.12Å; L1035-S1038 PolarHBondContact O-OG 2.83Å; L1035-L1039 HydrophobicContact CD2-CD1 4.01Å; L1035-L1039 WeakPolarHBondContact O-CB 3.24Å; L1035-L1039 WeakPolarHBondContact O-CD1 3.35Å; L1035-L1039 VanDerWaalsContact O-CG 3.28Å; L1035-L1039 WeakPolarHBondContact O-CG 3.42Å; L1035-L1039 PolarHBondContact O-N 2.84Å
1036	A	43.3	Very low	41.1	Very low	45.6 Å²	45.6	103.8 Å²	103.8	38%	0.377	57%	0.57	S	S	.	*	H	α-helix	trans	-61.4	-45.9	174.3	0	0	0	0	0	111.8	A1032 V1033 S1038 L1039 D1040	A1032-A1036 WeakPolarHBondContact O-CB 3.3Å; A1032-A1036 PolarHBondContact O-N 2.99Å; V1033-A1036 PolarHBondContact O-N 2.89Å; A1036-S1038 VanDerWaalsContact C-N 3.3Å; A1036-S1038 PolarHBondContact O-N 3.29Å; A1036-L1039 WeakPolarHBondContact O-CB 3.29Å; A1036-L1039 PolarHBondContact O-N 3.06Å; A1036-D1040 WeakPolarHBondContact O-CB 3.35Å; A1036-D1040 PolarHBondContact O-N 3.12Å; A1036-D1040 VanDerWaalsContact O-N 3.09Å
1037	K	42	Very low	40.5	Very low	141.2 Å²	141.2	106 Å²	106	61%	0.614	59%	0.585	S	S	*	*	H	α-helix	trans	-63.7	-28.2	174.1	-75.4	178.7	176	-179.7	0	113.7	V1033 N1034 L1035 L1039 G1041	V1033-K1037 HydrophobicContact CG1-CD 4.14Å; V1033-K1037 VanDerWaalsContact O-CB 3.26Å; V1033-K1037 WeakPolarHBondContact O-CB 3.4Å; V1033-K1037 VanDerWaalsContact O-CG 3.25Å; V1033-K1037 WeakPolarHBondContact O-CG 3.39Å; V1033-K1037 PolarHBondContact O-N 2.97Å; N1034-K1037 PolarHBondContact O-N 2.97Å; L1035-K1037 PolarHBondContact O-N 3.47Å; K1037-L1039 PolarHBondContact O-N 2.99Å; K1037-G1041 PolarHBondContact O-N 3.24Å
1038	S	42.8	Very low	39.9	Very low	78.8 Å²	78.8	107.7 Å²	107.7	55%	0.551	60%	0.599	S	S	*	*	H	α-helix	trans	-79.2	-10.4	173.8	149.2	0	0	0	0	113.2	K948 N1034 L1035 A1036 G1041	K948-S1038 PolarHBondContact NZ-O 3.14Å; N1034-S1038 VanDerWaalsContact O-CB 3.26Å; N1034-S1038 WeakPolarHBondContact O-CB 3.37Å; N1034-S1038 PolarHBondContact O-N 3.01Å; N1034-S1038 VanDerWaalsContact O-N 3.15Å; L1035-S1038 CarbonylContact O-C 3.58Å; L1035-S1038 WeakPolarHBondContact O-CA 3.47Å; L1035-S1038 WeakPolarHBondContact O-CB 3.3Å; L1035-S1038 PolarHBondContact O-N 2.97Å; L1035-S1038 VanDerWaalsContact O-N 3.12Å; L1035-S1038 PolarHBondContact O-OG 2.83Å; A1036-S1038 VanDerWaalsContact C-N 3.3Å; A1036-S1038 PolarHBondContact O-N 3.29Å; S1038-G1041 PolarHBondContact O-N 2.87Å
1039	L	41.1	Very low	39.2	Very low	108.2 Å²	108.2	110.7 Å²	110.7	57%	0.566	61%	0.61	S	S	*	*	H	α-helix	trans	-102.3	-28.8	178.2	-71	166.1	0	0	0	112.7	K945 K948 L1035 A1036 K1037 G1041 D1042	K945-L1039 HydrophobicContact CG-CD2 4.08Å; K948-L1039 HydrophobicContact CB-CD2 4.44Å; K948-L1039 HydrophobicContact CD-CD2 3.72Å; K948-L1039 HydrophobicContact CD-CG 4.33Å; L1035-L1039 HydrophobicContact CD2-CD1 4.01Å; L1035-L1039 WeakPolarHBondContact O-CB 3.24Å; L1035-L1039 WeakPolarHBondContact O-CD1 3.35Å; L1035-L1039 VanDerWaalsContact O-CG 3.28Å; L1035-L1039 WeakPolarHBondContact O-CG 3.42Å; L1035-L1039 PolarHBondContact O-N 2.84Å; A1036-L1039 WeakPolarHBondContact O-CB 3.29Å; A1036-L1039 PolarHBondContact O-N 3.06Å; K1037-L1039 PolarHBondContact O-N 2.99Å; L1039-G1041 PolarHBondContact O-N 2.94Å; L1039-D1042 PolarHBondContact O-N 3.48Å
1040	D	41	Very low	38.4	Very low	131.4 Å²	131.4	115 Å²	115	70%	0.703	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	2.7	174.1	-78.3	-21.2	0	0	0	113.1	A1036 D1042	A1036-D1040 WeakPolarHBondContact O-CB 3.35Å; A1036-D1040 PolarHBondContact O-N 3.12Å; A1036-D1040 VanDerWaalsContact O-N 3.09Å; D1040-D1042 PolarHBondContact O-N 3.28Å
1041	G	37.6	Very low	37.7	Very low	55.6 Å²	55.6	116.4 Å²	116.4	57%	0.573	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-22.9	-174.5	0	0	0	0	0	116.1	K1037 S1038 L1039 Q1043	K1037-G1041 PolarHBondContact O-N 3.24Å; S1038-G1041 PolarHBondContact O-N 2.87Å; L1039-G1041 PolarHBondContact O-N 2.94Å; G1041-Q1043 VanDerWaalsContact C-N 3.27Å; G1041-Q1043 PolarHBondContact O-N 2.93Å
1042	D	33.9	Very low	36.8	Very low	144.2 Å²	144.2	119.4 Å²	119.4	77%	0.771	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	43.8	-169.1	-75.4	-30.2	0	0	0	113.1	K927 L1039 D1040	K927-D1042 IonicContact NZ-OD2 3.74Å; L1039-D1042 PolarHBondContact O-N 3.48Å; D1040-D1042 PolarHBondContact O-N 3.28Å
1043	Q	33	Very low	36	Very low	169 Å²	169	124.5 Å²	124.5	79%	0.79	67%	0.673	S	S	*	*			trans	-115.1	84.9	169.7	-89.2	-173.4	-14.6	0	0	114.2	G1041 N1045	G1041-Q1043 VanDerWaalsContact C-N 3.27Å; G1041-Q1043 PolarHBondContact O-N 2.93Å; Q1043-N1045 PolarHBondContact O-N 3.18Å; Q1043-N1045 VanDerWaalsContact O-N 3.15Å
1044	C	27.9	Very low	35	Very low	111.4 Å²	111.4	128.8 Å²	128.8	75%	0.753	69%	0.692	S	S	*	*			trans	-46.7	93.5	169.4	-61	0	0	0	0	116.2	Y1046	C1044-Y1046 PolarHBondContact O-N 3.27Å
1045	N	27.1	Very low	34.2	Very low	149.6 Å²	149.6	128.4 Å²	128.4	80%	0.8	70%	0.702	S	S	*	*			trans	-153	96.1	147.9	-90	-10.6	0	0	0	113.6	Q1043	Q1043-N1045 PolarHBondContact O-N 3.18Å; Q1043-N1045 VanDerWaalsContact O-N 3.15Å
1046	Y	30.6	Very low	33.4	Very low	209 Å²	209	131.2 Å²	131.2	82%	0.82	72%	0.717	S	S	*	*			trans	-165	96	160.5	-85.4	-66.5	0	0	0	112.1	C1044 V1097	C1044-Y1046 PolarHBondContact O-N 3.27Å; Y1046-V1097 WeakPolarHBondContact OH-CB 3.44Å; Y1046-V1097 WeakPolarHBondContact OH-CG2 3.23Å
1047	D	28.8	Very low	32.8	Very low	148 Å²	148	134.8 Å²	134.8	79%	0.791	74%	0.738	S	S	*	*			trans	-99.9	154.8	156.8	-76.2	-36.6	0	0	0	115.3
1048	V	32.3	Very low	32.1	Very low	129.2 Å²	129.2	132.2 Å²	132.2	78%	0.783	74%	0.738	S	S	*	*			trans	71.5	95.3	172.4	-169.8	0	0	0	0	115.5
1049	E	29.2	Very low	31.6	Very low	171.6 Å²	171.6	135 Å²	135	80%	0.802	75%	0.747	S	S	*	*			trans	34.4	121.7	130.2	-77.2	179.1	177.4	0	0	116.3
1050	N	31.1	Very low	31.1	Very low	139.4 Å²	139.4	138.9 Å²	138.9	75%	0.745	76%	0.759	S	S	*	*				156.5	110.8	122.3	-90.5	-32.7	0	0	0	116.1	N1052	N1050-N1052 PolarHBondContact O-N 2.95Å
1051	D	29.4	Very low	30.6	Very low	135.2 Å²	135.2	141.6 Å²	141.6	72%	0.723	77%	0.765	S	S	*	*			trans	28.9	115.4	150.5	-85.1	-11.8	0	0	0	119	D1053	D1051-D1053 PolarHBondContact O-N 2.77Å
1052	N	31	Very low	30.3	Very low	147 Å²	147	144.7 Å²	144.7	79%	0.786	77%	0.772	S	S	*	*			trans	109.7	106.6	149	-69.2	-44.6	0	0	0	117	N1050	N1050-N1052 PolarHBondContact O-N 2.95Å
1053	D	32.8	Very low	30.2	Very low	158.4 Å²	158.4	143.1 Å²	143.1	85%	0.847	77%	0.77	S	S	*	*			trans	169.8	106.6	150.6	-89.5	-21.5	0	0	0	116.8	D1051 A1055	D1051-D1053 PolarHBondContact O-N 2.77Å; D1053-A1055 PolarHBondContact O-N 3.16Å
1054	I	28.5	Very low	30	Very low	157.8 Å²	157.8	140.6 Å²	140.6	81%	0.809	77%	0.77	S	S	*	*			trans	-91.4	97.3	175.8	-57.6	168.2	0	0	0	112.4	N1056	I1054-N1056 PolarHBondContact O-N 3.34Å
1055	A	30.2	Very low	30.3	Very low	88 Å²	88	143 Å²	143	73%	0.727	77%	0.77	S	S	*	*			trans	-112.2	111.6	157.5	0	0	0	0	0	115	D1053 C1057	D1053-A1055 PolarHBondContact O-N 3.16Å; A1055-C1057 VanDerWaalsContact C-N 3.32Å; A1055-C1057 PolarHBondContact O-N 3.41Å; A1055-C1057 PolarHBondContact O-SG 3.38Å; A1055-C1057 VanDerWaalsContact O-SG 3.33Å
1056	N	27.2	Very low	30.5	Very low	137.4 Å²	137.4	145.1 Å²	145.1	74%	0.735	77%	0.772	S	S	*	*			trans	-27.8	111.6	172.4	-108	-31.4	0	0	0	116.4	I1054 S1058 N1059	I1054-N1056 PolarHBondContact O-N 3.34Å; N1056-S1058 PolarHBondContact O-N 2.84Å; N1056-S1058 PolarHBondContact OD1-OG 3.13Å; N1056-S1058 VanDerWaalsContact OD1-OG 3.11Å; N1056-N1059 PolarHBondContact ND2-ND2 3.45Å; N1056-N1059 PolarHBondContact O-N 3.24Å
1057	C	30.2	Very low	30.5	Very low	119.4 Å²	119.4	145.3 Å²	145.3	81%	0.807	77%	0.771	S	S	*	*			trans	-144.6	52.7	148.1	-111.5	0	0	0	0	113.5	A1055 N1059 K1060 F1061	A1055-C1057 VanDerWaalsContact C-N 3.32Å; A1055-C1057 PolarHBondContact O-N 3.41Å; A1055-C1057 PolarHBondContact O-SG 3.38Å; A1055-C1057 VanDerWaalsContact O-SG 3.33Å; C1057-N1059 VanDerWaalsContact C-N 3.3Å; C1057-N1059 PolarHBondContact O-N 2.83Å; C1057-K1060 PolarHBondContact O-N 2.74Å; C1057-F1061 WeakPolarHBondContact O-CD2 3.29Å
1058	S	29.3	Very low	30.7	Very low	88.6 Å²	88.6	142.4 Å²	142.4	62%	0.62	77%	0.768	S	S	*	*			trans	-77.7	156.2	173.6	61.4	0	0	0	0	112.3	N1056 K1060 F1061	N1056-S1058 PolarHBondContact O-N 2.84Å; N1056-S1058 PolarHBondContact OD1-OG 3.13Å; N1056-S1058 VanDerWaalsContact OD1-OG 3.11Å; S1058-K1060 PolarHBondContact O-N 3.23Å; S1058-K1060 VanDerWaalsContact O-N 3.16Å; S1058-F1061 PolarHBondContact O-N 3.5Å; S1058-F1061 VanDerWaalsContact O-N 3.14Å
1059	N	30.9	Very low	30.6	Very low	136.6 Å²	136.6	139.6 Å²	139.6	73%	0.73	77%	0.765	S	S	*	*			trans	101.3	58.6	172.8	-68	-42.7	0	0	0	117.3	N1056 C1057 V1062	N1056-N1059 PolarHBondContact ND2-ND2 3.45Å; N1056-N1059 PolarHBondContact O-N 3.24Å; C1057-N1059 VanDerWaalsContact C-N 3.3Å; C1057-N1059 PolarHBondContact O-N 2.83Å; N1059-V1062 WeakPolarHBondContact O-CG2 3.43Å
1060	K	31.6	Very low	30.7	Very low	189.4 Å²	189.4	140.5 Å²	140.5	82%	0.823	77%	0.766	S	S	*	*			trans	-151.3	86.4	143.8	-100.4	158.7	-172.3	170.2	0	113.8	C1057 S1058 V1062	C1057-K1060 PolarHBondContact O-N 2.74Å; S1058-K1060 PolarHBondContact O-N 3.23Å; S1058-K1060 VanDerWaalsContact O-N 3.16Å; K1060-V1062 VanDerWaalsContact C-N 3.28Å; K1060-V1062 PolarHBondContact O-N 3.26Å
1061	F	29.7	Very low	30.7	Very low	188.8 Å²	188.8	141.5 Å²	141.5	83%	0.828	77%	0.771	S	S	*	*			trans	-84.7	77.7	165.2	-77.3	-73	0	0	0	115.6	C1057 S1058 P1063 C1064 Q1065	C1057-F1061 WeakPolarHBondContact O-CD2 3.29Å; S1058-F1061 PolarHBondContact O-N 3.5Å; S1058-F1061 VanDerWaalsContact O-N 3.14Å; F1061-P1063 VanDerWaalsContact C-N 3.34Å; F1061-P1063 WeakPolarHBondContact O-CD 3.29Å; F1061-P1063 VanDerWaalsContact O-N 3.14Å; F1061-C1064 PolarHBondContact O-N 3.3Å; F1061-Q1065 PolarHBondContact O-N 2.96Å
1062	V	31.9	Very low	30.9	Very low	119.8 Å²	119.8	145.7 Å²	145.7	73%	0.726	78%	0.777	S	S	*	*			trans	-131.1	109.9	162.5	177.4	0	0	0	0	110.9	N1059 K1060 C1064	N1059-V1062 WeakPolarHBondContact O-CG2 3.43Å; K1060-V1062 VanDerWaalsContact C-N 3.28Å; K1060-V1062 PolarHBondContact O-N 3.26Å; V1062-C1064 VanDerWaalsContact C-N 3.26Å; V1062-C1064 PolarHBondContact O-N 2.94Å
1063	P	30.5	Very low	30.8	Very low	111.2 Å²	111.2	148.8 Å²	148.8	72%	0.722	78%	0.777	S	S	*	*			trans	-119.9	141.3	157.2	13.8	4.4	0	0	0	115.4	F1061 Q1065	F1061-P1063 VanDerWaalsContact C-N 3.34Å; F1061-P1063 WeakPolarHBondContact O-CD 3.29Å; F1061-P1063 VanDerWaalsContact O-N 3.14Å; P1063-Q1065 PolarHBondContact O-N 3.35Å
1064	C	30	Very low	30.6	Very low	116.4 Å²	116.4	148.7 Å²	148.7	79%	0.786	78%	0.777	S	S	*	*	S	Bend	trans	-97.2	12.4	168.9	-68.2	0	0	0	0	115.8	F1061 V1062 K1066 R1067 A1068	F1061-C1064 PolarHBondContact O-N 3.3Å; V1062-C1064 VanDerWaalsContact C-N 3.26Å; V1062-C1064 PolarHBondContact O-N 2.94Å; C1064-K1066 PolarHBondContact O-N 3.08Å; C1064-R1067 PolarHBondContact O-N 2.9Å; C1064-R1067 VanDerWaalsContact O-N 3.15Å; C1064-A1068 PolarHBondContact O-N 2.82Å
1065	Q	32.9	Very low	30.6	Very low	161.4 Å²	161.4	147.1 Å²	147.1	75%	0.754	78%	0.778	S	S	*	*	S	Bend	trans	-76.6	-7.8	169.5	-118	170.2	-9.3	0	0	116.6	F1061 P1063 R1067 A1068 G1069	F1061-Q1065 PolarHBondContact O-N 2.96Å; P1063-Q1065 PolarHBondContact O-N 3.35Å; Q1065-R1067 VanDerWaalsContact C-N 3.29Å; Q1065-R1067 PolarHBondContact O-N 3.04Å; Q1065-R1067 VanDerWaalsContact O-N 3.12Å; Q1065-A1068 PolarHBondContact O-N 3.31Å; Q1065-G1069 PolarHBondContact O-N 2.87Å
1066	K	33.3	Very low	30.5	Very low	195 Å²	195	148.7 Å²	148.7	85%	0.848	78%	0.781	S	S	*	*			trans	-79.2	16.1	-178.7	-93.5	-179.5	176.7	176.5	0	117	C1064 A1068	C1064-K1066 PolarHBondContact O-N 3.08Å; K1066-A1068 VanDerWaalsContact C-N 3.34Å; K1066-A1068 PolarHBondContact O-N 3.21Å; K1066-A1068 VanDerWaalsContact O-N 3.11Å
1067	R	30.5	Very low	30.4	Very low	211.8 Å²	211.8	147.3 Å²	147.3	80%	0.799	78%	0.782	S	S	*	*			trans	-110.7	10	175	-142.7	178.7	-117.8	-171.8	-2.3	113.3	I443 C1064 Q1065	I443-R1067 VanDerWaalsContact CD1-CZ 3.41Å; C1064-R1067 PolarHBondContact O-N 2.9Å; C1064-R1067 VanDerWaalsContact O-N 3.15Å; Q1065-R1067 VanDerWaalsContact C-N 3.29Å; Q1065-R1067 PolarHBondContact O-N 3.04Å; Q1065-R1067 VanDerWaalsContact O-N 3.12Å
1068	A	31.9	Very low	30.3	Very low	88.4 Å²	88.4	149.3 Å²	149.3	73%	0.731	78%	0.783	S	S	*	*	S	Bend	trans	-87.1	-5.7	173.3	0	0	0	0	0	114.3	C1064 Q1065 K1066 K1070	C1064-A1068 PolarHBondContact O-N 2.82Å; Q1065-A1068 PolarHBondContact O-N 3.31Å; K1066-A1068 VanDerWaalsContact C-N 3.34Å; K1066-A1068 PolarHBondContact O-N 3.21Å; K1066-A1068 VanDerWaalsContact O-N 3.11Å; A1068-K1070 VanDerWaalsContact C-N 3.32Å; A1068-K1070 PolarHBondContact O-N 2.9Å
1069	G	30.4	Very low	30.1	Very low	70 Å²	70	150.1 Å²	150.1	72%	0.722	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	33.6	-178.1	0	0	0	0	0	116.1	Q1065	Q1065-G1069 PolarHBondContact O-N 2.87Å
1070	K	31.5	Very low	30.1	Very low	189.6 Å²	189.6	152.1 Å²	152.1	82%	0.824	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	12.1	177.7	-107.1	179.1	178.9	-176.7	0	115.1	A1068 R1072	A1068-K1070 VanDerWaalsContact C-N 3.32Å; A1068-K1070 PolarHBondContact O-N 2.9Å; K1070-R1072 VanDerWaalsContact C-N 3.31Å
1071	L	31.6	Very low	29.9	Very low	160.6 Å²	160.6	149.5 Å²	149.5	84%	0.841	79%	0.786	S	S	*	*			trans	-118.5	20.8	172.8	-80.4	162.3	0	0	0	112.4	R1073	L1071-R1073 VanDerWaalsContact C-N 3.31Å; L1071-R1073 PolarHBondContact O-N 3.32Å
1072	R	32.1	Very low	29.8	Very low	223.8 Å²	223.8	145.7 Å²	145.7	85%	0.845	78%	0.781	S	S	*	*			trans	-113.7	74	170.8	-86.5	-175.3	175.6	177.5	0.3	111.2	K1070	K1070-R1072 VanDerWaalsContact C-N 3.31Å
1073	R	30.3	Very low	29.8	Very low	211.8 Å²	211.8	146.3 Å²	146.3	80%	0.799	79%	0.787	S	S	*	*			trans	-136.6	130.9	163	-88.8	174.1	179	165.4	-3	109.8	L1071	L1071-R1073 VanDerWaalsContact C-N 3.31Å; L1071-R1073 PolarHBondContact O-N 3.32Å
1074	N	28.7	Very low	29.7	Very low	157 Å²	157	146.4 Å²	146.4	84%	0.84	79%	0.786	S	S	*	*			trans	87.7	72	170.3	-59.7	9.4	0	0	0	115.9
1075	C	28.1	Very low	29.6	Very low	123.2 Å²	123.2	147.6 Å²	147.6	83%	0.832	79%	0.785	S	S	*	*			trans	-143.9	142.8	135.4	-86.5	0	0	0	0	108.7
1076	P	28.3	Very low	29.4	Very low	123 Å²	123	145.2 Å²	145.2	80%	0.799	78%	0.781	S	S	*	*			trans	-84	157.8	-168.9	33.7	-35.7	0	0	0	113.4	I1078	P1076-I1078 PolarHBondContact O-N 3.15Å
1077	S	24.3	Very low	29.1	Very low	107 Å²	107	142.8 Å²	142.8	75%	0.748	78%	0.777	S	S	*	*			trans	-76.1	133.2	174.1	50.4	0	0	0	0	112.6	V1079	S1077-V1079 PolarHBondContact O-N 3.12Å
1078	I	28.4	Very low	29	Very low	162 Å²	162	138.6 Å²	138.6	83%	0.831	78%	0.775	S	S	*	*			trans	-121.5	122.1	155.8	-69.5	171.4	0	0	0	106.1	P1076	P1076-I1078 PolarHBondContact O-N 3.15Å
1079	V	25.4	Very low	28.8	Very low	106 Å²	106	141.9 Å²	141.9	64%	0.642	78%	0.78	S	S	*	*			trans	-96.7	130.7	160.1	178.2	0	0	0	0	108.6	S1077 D1081	S1077-V1079 PolarHBondContact O-N 3.12Å; V1079-D1081 WeakPolarHBondContact CG1-OD1 3.31Å
1080	M	30.1	Very low	28.6	Very low	177.8 Å²	177.8	142.7 Å²	142.7	88%	0.876	79%	0.788	S	S	*	*			trans	-142.6	133.9	158.1	-89.2	-64.7	-139.4	0	0	107.9
1081	D	27.8	Very low	28.4	Very low	135.2 Å²	135.2	137 Å²	137	72%	0.723	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-86.6	157.1	-166.3	-64.9	-66.3	0	0	0	113.9	V1079	V1079-D1081 WeakPolarHBondContact CG1-OD1 3.31Å
1082	P	28	Very low	28.1	Very low	109.2 Å²	109.2	139.8 Å²	139.8	71%	0.709	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-86.9	139.2	179	33.6	-33.4	0	0	0	112.8	T1084	P1082-T1084 PolarHBondContact O-N 3.2Å
1083	P	32.4	Very low	27.9	Very low	131 Å²	131	136.8 Å²	136.8	85%	0.851	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-82.5	130.1	164.2	32.3	-31	0	0	0	110.9
1084	T	27	Very low	27.7	Very low	114.6 Å²	114.6	133.3 Å²	133.3	70%	0.703	78%	0.781	S	S	*	*			trans	-89.4	146.4	175	50.8	0	0	0	0	111.9	P1082	P1082-T1084 PolarHBondContact O-N 3.2Å
1085	N	28.4	Very low	27.5	Very low	141.8 Å²	141.8	133.5 Å²	133.5	76%	0.758	78%	0.782	S	S	*	*			trans	139.7	137.6	138.5	-74.4	-10.7	0	0	0	114.5
1086	T	28.4	Very low	27.4	Very low	110.8 Å²	110.8	133.6 Å²	133.6	68%	0.68	78%	0.778	S	S	*	*				58.3	116.7	117.1	57.3	0	0	0	0	118
1087	D	26.9	Very low	27.3	Very low	144 Å²	144	133.8 Å²	133.8	77%	0.77	78%	0.777	S	S	*	*				80.1	133.4	121.7	-59.3	-21.3	0	0	0	120.1
1088	V	29.6	Very low	27.4	Very low	123.8 Å²	123.8	131.6 Å²	131.6	75%	0.75	77%	0.771	S	S	*	*				118.4	122.9	118.6	171.5	0	0	0	0	116.7
1089	N	27.1	Very low	27.4	Very low	158 Å²	158	130.6 Å²	130.6	85%	0.845	77%	0.766	S	S	*	*			trans	32.2	118.8	155.4	-61.7	-23.5	0	0	0	121.2
1090	G	26.9	Very low	27.4	Very low	85.8 Å²	85.8	131.3 Å²	131.3	89%	0.885	77%	0.77	S	S	*	*				101.7	129.5	127.2	0	0	0	0	0	117.5
1091	G	27.3	Very low	27.2	Very low	70 Å²	70	129.2 Å²	129.2	72%	0.722	76%	0.763	S	S	*	*			trans	156.9	109.1	162.8	0	0	0	0	0	112.8
1092	Y	25.5	Very low	27.1	Very low	220.8 Å²	220.8	127.5 Å²	127.5	87%	0.866	76%	0.762	S	S	*	*			trans	19.1	133	159.2	-69	-88.7	0	0	0	113.4
1093	L	27.5	Very low	27.1	Very low	159.6 Å²	159.6	129.8 Å²	129.8	84%	0.836	77%	0.765	S	S	*	*				-159.5	134.8	104.3	-89.5	157.5	0	0	0	114
1094	N	24.8	Very low	26.9	Very low	139 Å²	139	127 Å²	127	74%	0.743	76%	0.76	S	S	*	*			trans	-77.7	142.5	154.1	-72.1	-24.9	0	0	0	113.7
1095	L	26.1	Very low	26.9	Very low	161.2 Å²	161.2	126.9 Å²	126.9	84%	0.844	76%	0.759	S	S	*	*			trans	-134.5	113.6	148.5	-155.9	75.2	0	0	0	112.1	V1097	L1095-V1097 PolarHBondContact O-N 3.26Å
1096	T	25.8	Very low	26.8	Very low	125.2 Å²	125.2	124.4 Å²	124.4	77%	0.768	75%	0.753	S	S	*	*			trans	-79.5	119.4	169.1	42.9	0	0	0	0	113.3	G1098	T1096-G1098 PolarHBondContact O-N 3.15Å
1097	V	26.6	Very low	26.7	Very low	127.6 Å²	127.6	128 Å²	128	77%	0.773	76%	0.759	S	S	*	*			trans	-81.9	118.2	169.8	179	0	0	0	0	110.2	Y1046 L1095 I1099	Y1046-V1097 WeakPolarHBondContact OH-CB 3.44Å; Y1046-V1097 WeakPolarHBondContact OH-CG2 3.23Å; L1095-V1097 PolarHBondContact O-N 3.26Å; V1097-I1099 PolarHBondContact O-N 2.89Å
1098	G	26.1	Very low	26.8	Very low	59.4 Å²	59.4	124.1 Å²	124.1	61%	0.612	75%	0.747	S	S	*	*			trans	-109.6	107.1	-170.2	0	0	0	0	0	114.7	T1096 T1100	T1096-G1098 PolarHBondContact O-N 3.15Å; G1098-T1100 PolarHBondContact O-N 2.98Å; G1098-T1100 VanDerWaalsContact O-N 3.14Å
1099	I	27	Very low	26.7	Very low	142.2 Å²	142.2	123.8 Å²	123.8	73%	0.729	75%	0.746	S	S	*	*			trans	-33.8	107.6	168.4	-55	172.1	0	0	0	113.1	V1097 N1101	V1097-I1099 PolarHBondContact O-N 2.89Å; I1099-N1101 VanDerWaalsContact C-N 3.28Å; I1099-N1101 WeakPolarHBondContact CG2-ND2 3.49Å; I1099-N1101 WeakPolarHBondContact CG2-OD1 3.47Å; I1099-N1101 PolarHBondContact O-N 3.1Å
1100	T	26.3	Very low	26.7	Very low	120 Å²	120	122.5 Å²	122.5	74%	0.736	74%	0.744	S	S	*	*			trans	-97.9	104.4	163.3	39.9	0	0	0	0	112.3	G1098 S1102	G1098-T1100 PolarHBondContact O-N 2.98Å; G1098-T1100 VanDerWaalsContact O-N 3.14Å; T1100-S1102 PolarHBondContact O-N 3.21Å
1101	N	26.6	Very low	26.8	Very low	133 Å²	133	123.8 Å²	123.8	71%	0.711	74%	0.735	S	S	*	*			trans	-100.7	112	171.4	-76.3	-33.2	0	0	0	110.5	I1099 M1103	I1099-N1101 VanDerWaalsContact C-N 3.28Å; I1099-N1101 WeakPolarHBondContact CG2-ND2 3.49Å; I1099-N1101 WeakPolarHBondContact CG2-OD1 3.47Å; I1099-N1101 PolarHBondContact O-N 3.1Å; N1101-M1103 PolarHBondContact O-N 3.06Å; N1101-M1103 VanDerWaalsContact O-N 3.13Å
1102	S	26	Very low	26.7	Very low	101.2 Å²	101.2	124.5 Å²	124.5	71%	0.708	73%	0.734	S	S	*	*			trans	-107.7	86.2	157.6	96.5	0	0	0	0	112.5	T1100 G1104	T1100-S1102 PolarHBondContact O-N 3.21Å; S1102-G1104 PolarHBondContact O-N 2.89Å
1103	M	27.7	Very low	26.8	Very low	156 Å²	156	119.8 Å²	119.8	77%	0.768	73%	0.728	S	S	*	*			trans	-100.1	130.1	149.9	-79	-170.5	-124.3	0	0	109.4	I652 N1101 T1105	I652-M1103 HydrophobicContact CD1-CE 4.3Å; N1101-M1103 PolarHBondContact O-N 3.06Å; N1101-M1103 VanDerWaalsContact O-N 3.13Å; M1103-T1105 PolarHBondContact O-N 2.98Å
1104	G	27.3	Very low	26.8	Very low	72.2 Å²	72.2	117.6 Å²	117.6	74%	0.744	72%	0.722	S	S	*	*			trans	-91.9	81	179.6	0	0	0	0	0	112.5	S1102 S1106	S1102-G1104 PolarHBondContact O-N 2.89Å; G1104-S1106 PolarHBondContact O-N 3.05Å; G1104-S1106 VanDerWaalsContact O-N 3.16Å
1105	T	26.4	Very low	26.9	Very low	113.2 Å²	113.2	115.2 Å²	115.2	69%	0.694	72%	0.721	S	S	*	*			trans	-59.3	110.1	171.6	50.3	0	0	0	0	112.4	R740 M1103 F1107	R740-T1105 PolarHBondContact NH1-O 3.47Å; M1103-T1105 PolarHBondContact O-N 2.98Å; T1105-F1107 PolarHBondContact O-N 3.32Å
1106	S	27.4	Very low	27	Very low	88.6 Å²	88.6	113.4 Å²	113.4	62%	0.62	72%	0.719	S	S	*	*			trans	-94.9	78.1	174.1	54.1	0	0	0	0	113.4	R740 G1104 A1108	R740-S1106 VanDerWaalsContact CZ-O 3.25Å; R740-S1106 PolarHBondContact NH1-O 3.4Å; G1104-S1106 PolarHBondContact O-N 3.05Å; G1104-S1106 VanDerWaalsContact O-N 3.16Å; S1106-A1108 PolarHBondContact O-N 3Å; S1106-A1108 VanDerWaalsContact O-N 3.09Å
1107	F	26.7	Very low	27	Very low	186.4 Å²	186.4	115.1 Å²	115.1	82%	0.818	72%	0.723	S	S	*	*			trans	-76.2	116.6	167.9	-100.7	-97.9	0	0	0	110.1	Q649 I652 T1105	Q649-F1107 HydrophobicContact CG-CZ 4.4Å; I652-F1107 HydrophobicContact CD1-CE1 4.01Å; I652-F1107 HydrophobicContact CD1-CZ 4.24Å; T1105-F1107 PolarHBondContact O-N 3.32Å
1108	A	28.5	Very low	27	Very low	63.2 Å²	63.2	117.1 Å²	117.1	52%	0.522	72%	0.723	S	S	.	*			trans	-148.7	88.2	172.8	0	0	0	0	0	112.1	S1106	S1106-A1108 PolarHBondContact O-N 3Å; S1106-A1108 VanDerWaalsContact O-N 3.09Å
1109	T	28	Very low	27.2	Very low	116.8 Å²	116.8	119.2 Å²	119.2	72%	0.717	73%	0.726	S	S	*	*			trans	-140.9	114.1	174.2	-4.2	0	0	0	0	112.6	T1111	T1109-T1111 PolarHBondContact O-N 2.93Å
1110	T	26.2	Very low	27.3	Very low	131.4 Å²	131.4	122.8 Å²	122.8	81%	0.806	73%	0.732	S	S	*	*			trans	25.2	116.1	167.4	31.2	0	0	0	0	114.3
1111	T	28.4	Very low	27.3	Very low	112 Å²	112	122.5 Å²	122.5	69%	0.687	73%	0.734	S	S	*	*			trans	-142.8	134.1	157.6	33.8	0	0	0	0	111.5	R740 T1109 W1171	R740-T1111 PolarHBondContact NH1-O 2.88Å; R740-T1111 PolarHBondContact NH1-OG1 3.31Å; R740-T1111 PolarHBondContact NH2-OG1 3.37Å; T1109-T1111 PolarHBondContact O-N 2.93Å; T1111-W1171 VanDerWaalsContact C-CZ3 3.46Å; T1111-W1171 VanDerWaalsContact O-CZ3 3.26Å; T1111-W1171 WeakPolarHBondContact O-CZ3 3.47Å
1112	A	25.9	Very low	27.2	Very low	85 Å²	85	121.2 Å²	121.2	70%	0.702	74%	0.736	S	S	*	*			trans	-29.5	127.5	166.7	0	0	0	0	0	116.9
1113	T	26.7	Very low	27.3	Very low	121.6 Å²	121.6	122.8 Å²	122.8	75%	0.746	74%	0.741	S	S	*	*			trans	149.4	116.8	146.3	37.4	0	0	0	0	114	R755 P1169 C1170 W1171	R755-T1113 PolarHBondContact NH2-OG1 3.08Å; T1113-P1169 PolarHBondContact OG1-O 3.47Å; T1113-C1170 CarbonylContact O-C 3.52Å; T1113-C1170 WeakPolarHBondContact O-CA 3.32Å; T1113-C1170 PolarHBondContact O-N 3.01Å; T1113-C1170 VanDerWaalsContact O-N 3.16Å; T1113-W1171 PolarHBondContact O-N 3.45Å
1114	T	28.1	Very low	27.1	Very low	115 Å²	115	124.1 Å²	124.1	71%	0.706	75%	0.745	S	S	*	*			trans	-156.1	127.7	139.1	42.8	0	0	0	0	114.6	R755 Q1168 C1170 W1171	R755-T1114 PolarHBondContact NE-OG1 3.44Å; R755-T1114 PolarHBondContact NH2-OG1 2.89Å; T1114-Q1168 HydrophobicContact CG2-CB 4.32Å; T1114-C1170 HydrophobicContact CG2-CB 4.39Å; T1114-W1171 VanDerWaalsContact N-NE1 3.19Å; T1114-W1171 PolarHBondContact OG1-N 2.89Å
1115	A	27.5	Very low	27.2	Very low	87.2 Å²	87.2	124.8 Å²	124.8	72%	0.721	74%	0.744	S	S	*	*			trans	-92.4	150.7	168.3	0	0	0	0	0	111.5	L1117 Q1168	A1115-L1117 PolarHBondContact O-N 2.67Å; A1115-Q1168 PolarHBondContact O-NE2 3.5Å; A1115-Q1168 PolarHBondContact O-OE1 3.04Å; A1115-Q1168 VanDerWaalsContact O-OE1 3.09Å
1116	P	27.3	Very low	27.2	Very low	123.2 Å²	123.2	126.2 Å²	126.2	80%	0.8	75%	0.747	S	S	*	*			trans	-92.9	126.6	169.4	33.7	-29.8	0	0	0	111.4	H1118	P1116-H1118 PolarHBondContact O-N 3.12Å
1117	L	26.8	Very low	27.2	Very low	162.6 Å²	162.6	128.9 Å²	128.9	85%	0.851	76%	0.755	S	S	*	*			trans	-104	124.6	167.1	-97.2	166.2	0	0	0	110.5	A1115	A1115-L1117 PolarHBondContact O-N 2.67Å
1118	H	27	Very low	27.2	Very low	168 Å²	168	124 Å²	124	78%	0.778	75%	0.748	S	S	*	*			trans	-99.7	155.6	162.9	-100.2	-84	0	0	0	109.1	P1116	P1116-H1118 PolarHBondContact O-N 3.12Å
1119	P	29.7	Very low	27.1	Very low	104.6 Å²	104.6	128.1 Å²	128.1	68%	0.679	76%	0.76	S	S	*	*				-137.1	170.2	64.6	37.3	-21.1	0	0	0	115
1120	Y	28	Very low	27	Very low	218.2 Å²	218.2	129.8 Å²	129.8	86%	0.856	76%	0.762	S	S	*	*			trans	-132.1	129	156.2	-82.5	-80.2	0	0	0	113.1
1121	S	26.2	Very low	27.1	Very low	112.4 Å²	112.4	129 Å²	129	79%	0.786	75%	0.753	S	S	*	*			trans	-151	120.4	134.6	61.2	0	0	0	0	110.6
1122	S	24.7	Very low	27.1	Very low	107 Å²	107	129.6 Å²	129.6	75%	0.748	75%	0.752	S	S	*	*			trans	-116.5	147.8	155.8	49.2	0	0	0	0	111.4
1123	V	28.2	Very low	27.1	Very low	134.2 Å²	134.2	131.6 Å²	131.6	81%	0.813	75%	0.749	S	S	*	*			trans	-144.3	129.8	148.7	174.5	0	0	0	0	110.8
1124	E	24.1	Very low	27.2	Very low	183.2 Å²	183.2	135.8 Å²	135.8	86%	0.856	75%	0.753	S	S	*	*			trans	-117.6	154	155	-73.4	166.9	140.8	0	0	114.9
1125	A	28.6	Very low	27.1	Very low	86.6 Å²	86.6	136.5 Å²	136.5	72%	0.716	75%	0.752	S	S	*	*			trans	115.1	109.8	152.7	0	0	0	0	0	117.7
1126	N	26.6	Very low	27.2	Very low	142 Å²	142	141.2 Å²	141.2	76%	0.759	76%	0.757	S	S	*	*				70	138.8	125.2	-70.8	13.2	0	0	0	121.1
1127	D	27.8	Very low	27.1	Very low	146 Å²	146	141.9 Å²	141.9	78%	0.781	75%	0.753	S	S	*	*			trans	64.8	129.6	143.5	-56.3	-32.9	0	0	0	121.5
1128	A	26.2	Very low	27.1	Very low	82.8 Å²	82.8	138.9 Å²	138.9	68%	0.684	75%	0.746	S	S	*	*			cis	147.7	168.2	-2.4	0	0	0	0	0	114.7
1129	I	27.3	Very low	27.1	Very low	149.8 Å²	149.8	137.2 Å²	137.2	77%	0.768	74%	0.743	S	S	*	*			trans	91.9	137.9	156.3	-69.3	170.3	0	0	0	116.2
1130	M	26.7	Very low	27	Very low	152 Å²	152	142.1 Å²	142.1	75%	0.749	75%	0.749	S	S	*	*			trans	101	141.8	-173.4	-111.6	-161.8	-165.1	0	0	114.5
1131	N	26.7	Very low	26.9	Very low	116.4 Å²	116.4	139 Å²	139	62%	0.622	74%	0.742	S	S	*	*				67.5	143.6	82.4	-84.3	24.1	0	0	0	115.4
1132	D	28.5	Very low	27	Very low	124.2 Å²	124.2	140.9 Å²	140.9	66%	0.664	74%	0.739	S	S	*	*				-177.6	164	58.5	-110.6	-28.8	0	0	0	116.5
1133	I	27.5	Very low	27.1	Very low	126.6 Å²	126.6	142.1 Å²	142.1	65%	0.649	74%	0.736	S	S	*	*			trans	66.7	117.3	149.5	-51.1	162.7	0	0	0	119
1134	Y	28.2	Very low	27	Very low	210 Å²	210	142.1 Å²	142.1	82%	0.824	73%	0.732	S	S	*	*				140.3	134.4	129.5	-94.8	-98.1	0	0	0	116.8
1135	N	25.7	Very low	27.1	Very low	130.4 Å²	130.4	140.5 Å²	140.5	70%	0.697	73%	0.728	S	S	*	*			trans	-122.8	145.7	-179.3	-128	-9.3	0	0	0	113.4
1136	K	28.5	Very low	27	Very low	185.6 Å²	185.6	144.1 Å²	144.1	81%	0.807	73%	0.734	S	S	*	*			trans	173.4	123.4	147.3	-100.4	170.4	-178.1	178.6	0	113.5
1137	N	25.3	Very low	27.1	Very low	136.6 Å²	136.6	144.7 Å²	144.7	73%	0.73	73%	0.732	S	S	*	*				69	150.5	118	-69.5	16.9	0	0	0	116
1138	S	28.2	Very low	27.2	Very low	100.8 Å²	100.8	144.2 Å²	144.2	71%	0.705	73%	0.729	S	S	*	*			trans	116.2	146.5	144.1	58.5	0	0	0	0	116
1139	D	26.7	Very low	27.3	Very low	132.2 Å²	132.2	147.8 Å²	147.8	71%	0.707	74%	0.736	S	S	*	*			cis	-172.3	159.8	2.6	-88.1	-43.7	0	0	0	113
1140	Y	27.3	Very low	27.3	Very low	206.6 Å²	206.6	149.2 Å²	149.2	81%	0.81	74%	0.737	S	S	*	*			trans	84.6	124	154	-74.8	-77.2	0	0	0	119.2
1141	H	26.6	Very low	27.4	Very low	153.6 Å²	153.6	147 Å²	147	71%	0.711	73%	0.734	S	S	*	*			trans	39	152.7	135.5	-83.7	-101.8	0	0	0	115
1142	E	27.5	Very low	27.5	Very low	153.2 Å²	153.2	148.8 Å²	148.8	72%	0.716	74%	0.741	S	S	*	*			cis	-174	174.5	5.5	-104.7	-170.6	151.1	0	0	112.9
1143	L	27	Very low	27.5	Very low	130.4 Å²	130.4	148.8 Å²	148.8	68%	0.683	74%	0.739	S	S	*	*			trans	103.1	120.8	134.4	-108.7	113.4	0	0	0	116.1
1144	N	27	Very low	27.5	Very low	135.4 Å²	135.4	150.1 Å²	150.1	72%	0.724	75%	0.747	S	S	*	*			trans	46.7	122.9	132.1	-71.7	-30.3	0	0	0	120
1145	L	26.2	Very low	27.2	Very low	150.2 Å²	150.2	148.7 Å²	148.7	79%	0.786	75%	0.746	S	S	*	*				177.3	90.8	117.7	-131.6	153.8	0	0	0	116.9	H1147	L1145-H1147 PolarHBondContact O-N 3.11Å
1146	L	25.6	Very low	27.3	Very low	160.4 Å²	160.4	147.7 Å²	147.7	84%	0.84	75%	0.749	S	S	*	*			trans	-172	84.2	157.1	-147.8	75.1	0	0	0	116.3
1147	H	28.8	Very low	27.1	Very low	156.2 Å²	156.2	147.6 Å²	147.6	72%	0.723	75%	0.749	S	S	*	*			trans	-126.9	96.5	164.2	-132.5	-82.5	0	0	0	115.1	L1145 L1149	L1145-H1147 PolarHBondContact O-N 3.11Å; H1147-L1149 PolarHBondContact O-N 2.73Å
1148	N	29.2	Very low	27	Very low	134 Å²	134	147.7 Å²	147.7	72%	0.717	75%	0.748	S	S	*	*			trans	-153.4	95.2	162.7	-81.9	-14.1	0	0	0	116.3
1149	L	28.7	Very low	26.9	Very low	159 Å²	159	149.3 Å²	149.3	83%	0.832	75%	0.749	S	S	*	*			trans	166.7	87.7	130.7	-88.3	157.8	0	0	0	116.5	H1147	H1147-L1149 PolarHBondContact O-N 2.73Å
1150	K	26.6	Very low	26.7	Very low	180 Å²	180	149.8 Å²	149.8	78%	0.783	75%	0.751	S	S	*	*			trans	-131.9	135.9	150.3	-121.6	180	178.3	178.2	0	113.3	M1152	K1150-M1152 PolarHBondContact O-N 3.48Å
1151	P	30.5	Very low	26.7	Very low	105.8 Å²	105.8	145.8 Å²	145.8	69%	0.687	75%	0.748	S	S	*	*			trans	-123.7	147.5	-174.2	38.4	-25.9	0	0	0	115.2
1152	M	27.2	Very low	26.6	Very low	154.6 Å²	154.6	144.8 Å²	144.8	76%	0.762	75%	0.754	S	S	*	*			trans	177.3	98	158.1	-86.1	-163.5	106	0	0	113.5	L43 K1150 L1223	L43-M1152 HydrophobicContact CD1-CE 4.44Å; K1150-M1152 PolarHBondContact O-N 3.48Å; M1152-L1223 HydrophobicContact CE-CB 3.71Å; M1152-L1223 HydrophobicContact CE-CD2 3.88Å; M1152-L1223 HydrophobicContact CE-CG 4.38Å; M1152-L1223 HydrophobicContact SD-CD2 3.86Å
1153	I	28.8	Very low	26.6	Very low	123.8 Å²	123.8	143.1 Å²	143.1	64%	0.635	76%	0.755	S	S	*	*				67.1	94.9	124.2	-58.2	169	0	0	0	112.5	K1155 Y1220 T1221	I1153-K1155 PolarHBondContact O-N 2.97Å; I1153-Y1220 HydrophobicContact CD1-CD1 4.43Å; I1153-Y1220 HydrophobicContact CD1-CG 4.2Å; I1153-Y1220 HydrophobicContact CG1-CG 4.28Å; I1153-T1221 WeakPolarHBondContact CD1-O 3.25Å
1154	N	27	Very low	26.5	Very low	152.4 Å²	152.4	141.6 Å²	141.6	82%	0.815	76%	0.756	S	S	*	*			trans	176.6	143	150	-94.4	-19.4	0	0	0	116.3
1155	K	23.9	Very low	26.4	Very low	181.4 Å²	181.4	141.9 Å²	141.9	79%	0.789	76%	0.758	S	S	*	*			trans	-152.5	132.7	-177.9	-94.6	178.1	-177.9	179.3	0	112.7	I1153	I1153-K1155 PolarHBondContact O-N 2.97Å
1156	S	26	Very low	26.5	Very low	108.6 Å²	108.6	142.7 Å²	142.7	76%	0.759	76%	0.757	S	S	*	*				170.8	115.8	120	51.5	0	0	0	0	115.6	L1158	S1156-L1158 PolarHBondContact O-N 3.24Å
1157	F	24.6	Very low	26.6	Very low	184.8 Å²	184.8	142.2 Å²	142.2	81%	0.811	76%	0.755	S	S	*	*			trans	-127.9	114.8	151.5	-133	-103.4	0	0	0	110.5	N1160	F1157-N1160 HydrophobicContact CE1-CB 3.89Å
1158	L	24.6	Very low	26.5	Very low	137.8 Å²	137.8	142 Å²	142	72%	0.721	76%	0.755	S	S	*	*			trans	155.1	115.8	152.1	-118.1	140.4	0	0	0	112.4	S1156	S1156-L1158 PolarHBondContact O-N 3.24Å
1159	L	24.7	Very low	26.5	Very low	135.8 Å²	135.8	140.9 Å²	140.9	71%	0.711	76%	0.755	S	S	*	*				-163.6	120.6	113.1	-84.7	144.8	0	0	0	115.3
1160	N	23.3	Very low	26.3	Very low	141 Å²	141	137.5 Å²	137.5	75%	0.754	74%	0.743	S	S	*	*			trans	-147.7	110.9	151.9	-89.1	-4.4	0	0	0	113.9	F1157	F1157-N1160 HydrophobicContact CE1-CB 3.89Å
1161	T	26.6	Very low	26.3	Very low	123.2 Å²	123.2	138.5 Å²	138.5	76%	0.756	74%	0.743	S	S	*	*				-142.1	120	126.2	52.2	0	0	0	0	114.2
1162	T	25.4	Very low	26.1	Very low	133.8 Å²	133.8	139.9 Å²	139.9	82%	0.821	74%	0.743	S	S	*	*			trans	-97.1	151.5	163.2	50.7	0	0	0	0	111
1163	P	27.6	Very low	26	Very low	116.2 Å²	116.2	137.6 Å²	137.6	76%	0.755	74%	0.738	S	S	*	*				-115.8	168.6	109.4	16.2	0.1	0	0	0	112.8
1164	S	24.7	Very low	25.9	Very low	98.2 Å²	98.2	139.5 Å²	139.5	69%	0.687	75%	0.749	S	S	*	*			trans	37.7	145.4	137.5	65.4	0	0	0	0	115.4
1165	N	24.8	Very low	25.8	Very low	143.2 Å²	143.2	140.6 Å²	140.6	77%	0.766	75%	0.746	S	S	*	*			trans	83	137	176.2	-76.4	12.1	0	0	0	115.9
1166	E	27.1	Very low	26	Very low	165.8 Å²	165.8	140.9 Å²	140.9	78%	0.775	75%	0.75	S	S	*	*				160.1	144.4	100.3	-94.5	171.2	-165.6	0	0	117
1167	N	28.1	Very low	25.9	Very low	151 Å²	151	140.8 Å²	140.8	81%	0.807	75%	0.75	S	S	*	*			trans	63.8	125.5	155.4	-62.1	-32.9	0	0	0	120.3
1168	Q	27.4	Very low	25.9	Very low	152.4 Å²	152.4	140.7 Å²	140.7	71%	0.712	75%	0.749	S	S	*	*			trans	-79.4	160.2	168.2	-77.4	177.6	-2.1	0	0	112.2	T1114 A1115 C1170	T1114-Q1168 HydrophobicContact CG2-CB 4.32Å; A1115-Q1168 PolarHBondContact O-NE2 3.5Å; A1115-Q1168 PolarHBondContact O-OE1 3.04Å; A1115-Q1168 VanDerWaalsContact O-OE1 3.09Å; Q1168-C1170 PolarHBondContact OE1-SG 3.25Å
1169	P	28.2	Very low	26	Very low	109.4 Å²	109.4	141.3 Å²	141.3	71%	0.71	75%	0.748	S	S	*	*				-136.5	146.4	109.2	25.1	-8.9	0	0	0	113.8	T1113	T1113-P1169 PolarHBondContact OG1-O 3.47Å
1170	C	25.4	Very low	26	Very low	88.4 Å²	88.4	141.9 Å²	141.9	60%	0.597	75%	0.746	S	S	*	*				-96.2	129.2	103.9	-77.8	0	0	0	0	113	T1113 T1114 Q1168 L1172	T1113-C1170 CarbonylContact O-C 3.52Å; T1113-C1170 WeakPolarHBondContact O-CA 3.32Å; T1113-C1170 PolarHBondContact O-N 3.01Å; T1113-C1170 VanDerWaalsContact O-N 3.16Å; T1114-C1170 HydrophobicContact CG2-CB 4.39Å; Q1168-C1170 PolarHBondContact OE1-SG 3.25Å; C1170-L1172 PolarHBondContact O-N 2.98Å
1171	W	26.8	Very low	26	Very low	201.8 Å²	201.8	142.7 Å²	142.7	76%	0.764	75%	0.746	S	S	*	*			trans	-128.1	131.1	143.1	-72.7	94.4	0	0	0	110.8	K637 T1111 T1113 T1114	K637-W1171 WeakPolarHBondContact CE-O 3.49Å; T1111-W1171 VanDerWaalsContact C-CZ3 3.46Å; T1111-W1171 VanDerWaalsContact O-CZ3 3.26Å; T1111-W1171 WeakPolarHBondContact O-CZ3 3.47Å; T1113-W1171 PolarHBondContact O-N 3.45Å; T1114-W1171 VanDerWaalsContact N-NE1 3.19Å; T1114-W1171 PolarHBondContact OG1-N 2.89Å
1172	L	26.3	Very low	25.9	Very low	134.6 Å²	134.6	141.5 Å²	141.5	71%	0.705	74%	0.742	S	S	*	*			cis	-151.1	120.8	-20.6	-131.7	142.5	0	0	0	109.6	C1170 L1174	C1170-L1172 PolarHBondContact O-N 2.98Å; L1172-L1174 HydrophobicContact CD2-CB 4.29Å; L1172-L1174 HydrophobicContact CD2-CD1 3.93Å; L1172-L1174 HydrophobicContact CD2-CG 3.83Å; L1172-L1174 PolarHBondContact O-N 2.98Å; L1172-L1174 VanDerWaalsContact O-N 3.14Å
1173	T	25.1	Very low	25.7	Very low	106 Å²	106	139.6 Å²	139.6	65%	0.65	73%	0.734	S	S	*	*			trans	-51.7	129.1	159.8	58.1	0	0	0	0	114.4	K1175	T1173-K1175 PolarHBondContact O-N 3.37Å; T1173-K1175 VanDerWaalsContact O-N 3.08Å
1174	L	26.1	Very low	25.5	Very low	163.6 Å²	163.6	141.6 Å²	141.6	86%	0.857	74%	0.738	S	S	*	*			trans	-106	122.6	152.7	-99	167.8	0	0	0	111.6	L1172 Q1176	L1172-L1174 HydrophobicContact CD2-CB 4.29Å; L1172-L1174 HydrophobicContact CD2-CD1 3.93Å; L1172-L1174 HydrophobicContact CD2-CG 3.83Å; L1172-L1174 PolarHBondContact O-N 2.98Å; L1172-L1174 VanDerWaalsContact O-N 3.14Å; L1174-Q1176 PolarHBondContact O-N 2.98Å
1175	K	24.9	Very low	25.5	Very low	176 Å²	176	141.6 Å²	141.6	77%	0.765	74%	0.738	S	S	*	*			trans	-114.7	112.3	-177.3	-169	-173.7	-175.3	-179.4	0	110.8	T1173 S1177	T1173-K1175 PolarHBondContact O-N 3.37Å; T1173-K1175 VanDerWaalsContact O-N 3.08Å; K1175-S1177 VanDerWaalsContact C-N 3.34Å; K1175-S1177 PolarHBondContact O-N 3.16Å
1176	Q	27.4	Very low	25.4	Very low	186.4 Å²	186.4	139.8 Å²	139.8	87%	0.871	74%	0.736	S	S	*	*			trans	-91.4	136.9	167.7	-85.9	-175.9	-4.6	0	0	111.6	L1174	L1174-Q1176 PolarHBondContact O-N 2.98Å
1177	S	25.4	Very low	25.3	Very low	106.6 Å²	106.6	136.9 Å²	136.9	75%	0.745	74%	0.735	S	S	*	*			trans	-128.5	139.8	-178.8	67	0	0	0	0	111.1	K1175	K1175-S1177 VanDerWaalsContact C-N 3.34Å; K1175-S1177 PolarHBondContact O-N 3.16Å
1178	K	24.1	Very low	25.1	Very low	183 Å²	183	134.7 Å²	134.7	80%	0.796	73%	0.731	S	S	*	*			trans	-115.2	134.1	157.1	-81.4	178.1	174.5	-177.5	0	112.4
1179	H	25.8	Very low	25.1	Very low	150.6 Å²	150.6	132.2 Å²	132.2	70%	0.697	73%	0.731	S	S	*	*			trans	84.2	129.9	150.2	-74.6	-75.5	0	0	0	118
1180	H	25.7	Very low	24.9	Very low	148.2 Å²	148.2	133.3 Å²	133.3	69%	0.686	73%	0.731	S	S	*	*				85.2	137.5	117.9	-82.6	-62.1	0	0	0	116.9
1181	Q	23.2	Very low	25.1	Very low	158.8 Å²	158.8	137.2 Å²	137.2	74%	0.742	74%	0.74	S	S	*	*				99.9	129.7	120.6	-86.8	156.6	-41.4	0	0	115.6
1182	S	23.4	Very low	24.9	Very low	97 Å²	97	131.7 Å²	131.7	68%	0.678	73%	0.732	S	S	*	*			trans	70.7	141.6	135.8	61	0	0	0	0	118.5
1183	S	23.1	Very low	24.9	Very low	94 Å²	94	134.1 Å²	134.1	66%	0.657	74%	0.737	S	S	*	*				101.5	141.2	118.6	53.6	0	0	0	0	115
1184	L	23.1	Very low	24.8	Very low	159.4 Å²	159.4	133.4 Å²	133.4	84%	0.835	74%	0.736	S	S	*	*			trans	73.8	148.8	133.7	-79.7	127	0	0	0	113.8	S1186	L1184-S1186 PolarHBondContact O-N 3.33Å
1185	S	23.1	Very low	24.8	Very low	98.2 Å²	98.2	129.9 Å²	129.9	69%	0.687	73%	0.726	S	S	*	*			cis	-158.7	138.7	23.1	44.7	0	0	0	0	112.2
1186	S	24	Very low	24.9	Very low	104.2 Å²	104.2	127.5 Å²	127.5	73%	0.729	73%	0.726	S	S	*	*				112	158.9	125.6	55.6	0	0	0	0	114.6	L1184	L1184-S1186 PolarHBondContact O-N 3.33Å
1187	S	24.4	Very low	25.1	Very low	106.2 Å²	106.2	123.8 Å²	123.8	74%	0.743	72%	0.718	S	S	*	*			trans	103	147.2	144.8	49.5	0	0	0	0	114.2
1188	S	24.6	Very low	25	Very low	104.4 Å²	104.4	125.9 Å²	125.9	73%	0.73	72%	0.72	S	S	*	*			cis	145.8	143.9	2.3	55.8	0	0	0	0	112.6
1189	S	26.6	Very low	25.1	Very low	100 Å²	100	122.5 Å²	122.5	70%	0.699	72%	0.715	S	S	*	*			trans	108.9	139.7	149.4	61.3	0	0	0	0	114.8
1190	N	24.9	Very low	25.2	Very low	132.4 Å²	132.4	121.4 Å²	121.4	71%	0.708	72%	0.719	S	S	*	*			cis	145.3	138.1	35.7	-84.5	-10.3	0	0	0	111.5
1191	H	28.1	Very low	25.4	Very low	170.6 Å²	170.6	120.2 Å²	120.2	79%	0.79	72%	0.722	S	S	*	*				140.2	144.6	116.9	-78.2	-69.4	0	0	0	115.6
1192	S	23.5	Very low	25.6	Very low	85.6 Å²	85.6	121.8 Å²	121.8	60%	0.599	73%	0.726	S	S	*	*			cis	-143.9	152.8	1.3	55.6	0	0	0	0	111.3
1193	F	25.7	Very low	25.8	Very low	184.2 Å²	184.2	125.7 Å²	125.7	81%	0.808	73%	0.731	S	S	*	*			trans	158.4	139.2	136.9	-84.8	-94.8	0	0	0	111.2	S997 N998	S997-F1193 WeakPolarHBondContact O-CA 3.23Å; S997-F1193 WeakPolarHBondContact O-CB 3.25Å; S997-F1193 WeakPolarHBondContact O-CD1 3.34Å; S997-F1193 WeakPolarHBondContact O-CG 3.48Å; N998-F1193 CarbonylContact O-C 3.3Å; N998-F1193 VanDerWaalsContact O-C 3.3Å
1194	S	23.9	Very low	26.1	Very low	91.6 Å²	91.6	130.3 Å²	130.3	64%	0.641	74%	0.735	S	S	*	*			cis	153.2	144.2	22.4	62.9	0	0	0	0	113.4	S997 N998	S997-S1194 VanDerWaalsContact O-CA 3.3Å; S997-S1194 WeakPolarHBondContact O-CA 3.38Å; N998-S1194 VanDerWaalsContact N-CA 3.28Å; N998-S1194 PolarHBondContact O-N 3.43Å
1195	S	26	Very low	26.5	Very low	91.4 Å²	91.4	129.4 Å²	129.4	64%	0.639	73%	0.731	S	S	*	*				-154.6	151	129.7	55.8	0	0	0	0	115	S997 N998 S999	S997-S1195 VanDerWaalsContact CA-OG 3.24Å; S997-S1195 WeakPolarHBondContact CA-OG 3.43Å; S997-S1195 WeakPolarHBondContact CB-OG 3.46Å; N998-S1195 WeakPolarHBondContact CA-O 3.36Å; N998-S1195 VanDerWaalsContact N-N 3.15Å; N998-S1195 PolarHBondContact OD1-O 3.2Å; N998-S1195 VanDerWaalsContact OD1-O 3.08Å; S999-S1195 WeakPolarHBondContact CA-O 3.48Å; S999-S1195 WeakPolarHBondContact CB-O 3.31Å
1196	T	27.1	Very low	26.9	Very low	125.6 Å²	125.6	131.4 Å²	131.4	77%	0.771	73%	0.734	S	S	*	*			trans	-179.7	156.1	136.8	38.8	0	0	0	0	115.3
1197	P	30.5	Very low	27.2	Very low	108 Å²	108	132.1 Å²	132.1	70%	0.701	73%	0.728	S	S	*	*			trans	-134	-174.5	-136.9	33.6	-14.5	0	0	0	114.4
1198	L	24.8	Very low	27.6	Very low	150.4 Å²	150.4	134.2 Å²	134.2	79%	0.787	73%	0.728	S	S	*	*			trans	71.7	142.6	166.6	-109.4	67.5	0	0	0	115.5
1199	T	26.5	Very low	27.9	Very low	112 Å²	112	133.8 Å²	133.8	69%	0.687	72%	0.717	S	S	*	*			cis	-173.1	140	48.3	11.1	0	0	0	0	113.5	V1201	T1199-V1201 HydrophobicContact CG2-CG2 4.12Å
1200	T	27.6	Very low	28.1	Very low	127.2 Å²	127.2	132.8 Å²	132.8	78%	0.78	71%	0.71	S	S	*	*			trans	139.9	141.7	136.1	32.1	0	0	0	0	115.2	K1202	T1200-K1202 VanDerWaalsContact C-N 3.26Å; T1200-K1202 PolarHBondContact O-N 3.25Å
1201	V	29.9	Very low	28.4	Very low	122.8 Å²	122.8	134.2 Å²	134.2	74%	0.744	71%	0.71	S	S	*	*			trans	-57.2	67.2	158.1	-174.3	0	0	0	0	113.9	T1199 K1203	T1199-V1201 HydrophobicContact CG2-CG2 4.12Å; V1201-K1203 VanDerWaalsContact C-N 3.28Å; V1201-K1203 PolarHBondContact O-N 3.21Å
1202	K	27.5	Very low	28.5	Very low	192.2 Å²	192.2	134.3 Å²	134.3	84%	0.836	71%	0.708	S	S	*	*			trans	-44.4	69.4	166.1	-72.6	176.9	178	177.4	0	116.5	T1200	T1200-K1202 VanDerWaalsContact C-N 3.26Å; T1200-K1202 PolarHBondContact O-N 3.25Å
1203	K	28	Very low	28.9	Very low	180.2 Å²	180.2	138.9 Å²	138.9	78%	0.783	71%	0.712	S	S	*	*			trans	-152.8	59	161.5	-110.9	174.3	-179.2	-177.4	0	113.4	V1201	V1201-K1203 VanDerWaalsContact C-N 3.28Å; V1201-K1203 PolarHBondContact O-N 3.21Å
1204	Y	28.4	Very low	29.1	Very low	189.6 Å²	189.6	136.3 Å²	136.3	74%	0.744	71%	0.707	S	S	*	*			trans	-111.8	36.4	147.6	-86.5	-75.3	0	0	0	113.7	L1206 I1207 M1208	Y1204-L1206 VanDerWaalsContact C-N 3.26Å; Y1204-L1206 PolarHBondContact O-N 3.16Å; Y1204-I1207 HydrophobicContact CD1-CD1 3.93Å; Y1204-I1207 HydrophobicContact CD1-CG1 4.42Å; Y1204-I1207 HydrophobicContact CE1-CD1 3.84Å; Y1204-I1207 PolarHBondContact O-N 2.98Å; Y1204-I1207 VanDerWaalsContact O-N 3.11Å; Y1204-M1208 PolarHBondContact O-N 3.01Å
1205	N	30.8	Very low	29.4	Very low	141.4 Å²	141.4	138.8 Å²	138.8	76%	0.756	71%	0.712	S	S	*	*	H	α-helix	trans	-97.6	35	173.8	-90.1	-2.8	0	0	0	112.6	I1207 M1208 D1209	N1205-I1207 VanDerWaalsContact C-N 3.34Å; N1205-I1207 PolarHBondContact O-N 3.05Å; N1205-I1207 VanDerWaalsContact O-N 3.15Å; N1205-M1208 PolarHBondContact O-N 2.69Å; N1205-D1209 VanDerWaalsContact O-CB 3.31Å; N1205-D1209 WeakPolarHBondContact O-CB 3.35Å; N1205-D1209 PolarHBondContact O-N 2.96Å
1206	L	31.8	Very low	29.5	Very low	139.4 Å²	139.4	141.7 Å²	141.7	73%	0.73	72%	0.715	S	S	*	*	H	α-helix	trans	-115.7	-13.6	174.7	-134.4	116.5	0	0	0	115.6	Y1204 C1210	Y1204-L1206 VanDerWaalsContact C-N 3.26Å; Y1204-L1206 PolarHBondContact O-N 3.16Å; L1206-C1210 WeakPolarHBondContact O-CB 3.49Å; L1206-C1210 PolarHBondContact O-N 3.23Å; L1206-C1210 VanDerWaalsContact O-N 3.13Å; L1206-C1210 PolarHBondContact O-SG 3.1Å
1207	I	31.7	Very low	29.5	Very low	119.2 Å²	119.2	144.1 Å²	144.1	61%	0.611	72%	0.715	S	S	*	*	H	α-helix	trans	-93.1	-37.9	-177.1	-63.9	178.5	0	0	0	112.2	Y1204 N1205 D1209 C1210 F1211	Y1204-I1207 HydrophobicContact CD1-CD1 3.93Å; Y1204-I1207 HydrophobicContact CD1-CG1 4.42Å; Y1204-I1207 HydrophobicContact CE1-CD1 3.84Å; Y1204-I1207 PolarHBondContact O-N 2.98Å; Y1204-I1207 VanDerWaalsContact O-N 3.11Å; N1205-I1207 VanDerWaalsContact C-N 3.34Å; N1205-I1207 PolarHBondContact O-N 3.05Å; N1205-I1207 VanDerWaalsContact O-N 3.15Å; I1207-D1209 VanDerWaalsContact C-N 3.32Å; I1207-D1209 PolarHBondContact O-N 3.13Å; I1207-C1210 WeakPolarHBondContact O-CB 3.19Å; I1207-C1210 PolarHBondContact O-N 3.13Å; I1207-C1210 VanDerWaalsContact O-N 3.16Å; I1207-F1211 PolarHBondContact O-N 3.18Å
1208	M	31.2	Very low	29.4	Very low	150.6 Å²	150.6	145.2 Å²	145.2	74%	0.742	72%	0.719	S	S	*	*	H	α-helix	trans	-72.9	-30	179.1	-99.9	-65.5	177	0	0	114.2	Y1204 N1205 C1210 F1211 K1212	Y1204-M1208 PolarHBondContact O-N 3.01Å; N1205-M1208 PolarHBondContact O-N 2.69Å; M1208-C1210 VanDerWaalsContact C-N 3.33Å; M1208-C1210 PolarHBondContact O-N 3.32Å; M1208-F1211 PolarHBondContact O-N 3.04Å; M1208-K1212 VanDerWaalsContact O-CB 3.28Å; M1208-K1212 WeakPolarHBondContact O-CB 3.4Å; M1208-K1212 PolarHBondContact O-N 3.23Å
1209	D	32.3	Very low	29.5	Very low	94.6 Å²	94.6	141.4 Å²	141.4	51%	0.506	71%	0.705	S	S	.	*	H	α-helix	trans	-79.3	-21.7	179	-100.8	-2.7	0	0	0	113.8	N1205 I1207 F1211 K1212 R1213	N1205-D1209 VanDerWaalsContact O-CB 3.31Å; N1205-D1209 WeakPolarHBondContact O-CB 3.35Å; N1205-D1209 PolarHBondContact O-N 2.96Å; I1207-D1209 VanDerWaalsContact C-N 3.32Å; I1207-D1209 PolarHBondContact O-N 3.13Å; D1209-F1211 VanDerWaalsContact C-N 3.33Å; D1209-F1211 PolarHBondContact O-N 2.97Å; D1209-K1212 PolarHBondContact O-N 3.3Å; D1209-R1213 WeakPolarHBondContact O-CB 3.38Å; D1209-R1213 VanDerWaalsContact O-CD 3.32Å; D1209-R1213 WeakPolarHBondContact O-CD 3.43Å; D1209-R1213 VanDerWaalsContact O-CG 3.23Å; D1209-R1213 WeakPolarHBondContact O-CG 3.3Å; D1209-R1213 PolarHBondContact O-N 2.76Å; D1209-R1213 IonicContact OD2-CZ 3.27Å; D1209-R1213 IonicContact OD2-NE 3.09Å; D1209-R1213 PolarHBondContact OD2-NE 3.39Å; D1209-R1213 IonicContact OD2-NH2 3.1Å; D1209-R1213 PolarHBondContact OD2-NH2 3.02Å
1210	C	30.2	Very low	29.6	Very low	80 Å²	80	145.2 Å²	145.2	54%	0.541	71%	0.709	S	S	.	*	H	α-helix	trans	-75.3	-37.2	173.5	-89.7	0	0	0	0	112.4	L1206 I1207 M1208 K1212 R1213 N1214	L1206-C1210 WeakPolarHBondContact O-CB 3.49Å; L1206-C1210 PolarHBondContact O-N 3.23Å; L1206-C1210 VanDerWaalsContact O-N 3.13Å; L1206-C1210 PolarHBondContact O-SG 3.1Å; I1207-C1210 WeakPolarHBondContact O-CB 3.19Å; I1207-C1210 PolarHBondContact O-N 3.13Å; I1207-C1210 VanDerWaalsContact O-N 3.16Å; M1208-C1210 VanDerWaalsContact C-N 3.33Å; M1208-C1210 PolarHBondContact O-N 3.32Å; C1210-K1212 VanDerWaalsContact C-N 3.34Å; C1210-K1212 PolarHBondContact O-N 3.12Å; C1210-R1213 PolarHBondContact O-N 3.05Å; C1210-N1214 VanDerWaalsContact O-CB 3.27Å; C1210-N1214 WeakPolarHBondContact O-CB 3.31Å; C1210-N1214 PolarHBondContact O-N 3.01Å; C1210-N1214 PolarHBondContact O-ND2 3.2Å
1211	F	30	Very low	29.5	Very low	162.2 Å²	162.2	144.8 Å²	144.8	71%	0.711	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-27.9	176.9	-114.6	-87.9	0	0	0	113	I1207 M1208 D1209 R1213 N1214 L1215	I1207-F1211 PolarHBondContact O-N 3.18Å; M1208-F1211 PolarHBondContact O-N 3.04Å; D1209-F1211 VanDerWaalsContact C-N 3.33Å; D1209-F1211 PolarHBondContact O-N 2.97Å; F1211-R1213 VanDerWaalsContact C-N 3.3Å; F1211-R1213 PolarHBondContact O-N 3.18Å; F1211-N1214 PolarHBondContact O-N 2.9Å; F1211-L1215 HydrophobicContact CD1-CD1 4.02Å; F1211-L1215 HydrophobicContact CD1-CG 4.48Å; F1211-L1215 WeakPolarHBondContact O-CB 3.44Å; F1211-L1215 WeakPolarHBondContact O-CG 3.47Å; F1211-L1215 PolarHBondContact O-N 3.34Å; F1211-L1215 VanDerWaalsContact O-N 3.1Å
1212	K	31.3	Very low	29.4	Very low	172.4 Å²	172.4	143.2 Å²	143.2	75%	0.75	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-10.9	-178.5	-151.4	171.8	-174.5	177.2	0	113.7	M1208 D1209 C1210 N1214 H1216	M1208-K1212 VanDerWaalsContact O-CB 3.28Å; M1208-K1212 WeakPolarHBondContact O-CB 3.4Å; M1208-K1212 PolarHBondContact O-N 3.23Å; D1209-K1212 PolarHBondContact O-N 3.3Å; C1210-K1212 VanDerWaalsContact C-N 3.34Å; C1210-K1212 PolarHBondContact O-N 3.12Å; K1212-N1214 VanDerWaalsContact C-N 3.32Å; K1212-N1214 PolarHBondContact O-N 3.27Å; K1212-H1216 WeakPolarHBondContact O-CB 3.32Å; K1212-H1216 PolarHBondContact O-N 3.01Å
1213	R	31.3	Very low	29.3	Very low	181.2 Å²	181.2	140.8 Å²	140.8	68%	0.684	70%	0.696	S	S	*	*	H	α-helix	trans	-108.5	-17.9	179.6	-81	175.4	-150.5	-178	4.7	115.2	D1209 C1210 F1211 H1216 K1217	D1209-R1213 WeakPolarHBondContact O-CB 3.38Å; D1209-R1213 VanDerWaalsContact O-CD 3.32Å; D1209-R1213 WeakPolarHBondContact O-CD 3.43Å; D1209-R1213 VanDerWaalsContact O-CG 3.23Å; D1209-R1213 WeakPolarHBondContact O-CG 3.3Å; D1209-R1213 PolarHBondContact O-N 2.76Å; D1209-R1213 IonicContact OD2-CZ 3.27Å; D1209-R1213 IonicContact OD2-NE 3.09Å; D1209-R1213 PolarHBondContact OD2-NE 3.39Å; D1209-R1213 IonicContact OD2-NH2 3.1Å; D1209-R1213 PolarHBondContact OD2-NH2 3.02Å; C1210-R1213 PolarHBondContact O-N 3.05Å; F1211-R1213 VanDerWaalsContact C-N 3.3Å; F1211-R1213 PolarHBondContact O-N 3.18Å; R1213-H1216 WeakPolarHBondContact O-CB 3.41Å; R1213-H1216 PolarHBondContact O-N 2.72Å; R1213-K1217 WeakPolarHBondContact O-CB 3.2Å; R1213-K1217 VanDerWaalsContact O-CG 3.26Å; R1213-K1217 WeakPolarHBondContact O-CG 3.46Å; R1213-K1217 PolarHBondContact O-N 3.06Å
1214	N	30.6	Very low	29.2	Very low	130.8 Å²	130.8	137.3 Å²	137.3	70%	0.699	69%	0.694	S	S	*	*	H	α-helix	trans	-98	-3.2	179.5	-83.9	-17.9	0	0	0	114.2	C1210 F1211 K1212 H1216 K1217 V1218	C1210-N1214 VanDerWaalsContact O-CB 3.27Å; C1210-N1214 WeakPolarHBondContact O-CB 3.31Å; C1210-N1214 PolarHBondContact O-N 3.01Å; C1210-N1214 PolarHBondContact O-ND2 3.2Å; F1211-N1214 PolarHBondContact O-N 2.9Å; K1212-N1214 VanDerWaalsContact C-N 3.32Å; K1212-N1214 PolarHBondContact O-N 3.27Å; N1214-H1216 VanDerWaalsContact C-N 3.29Å; N1214-H1216 PolarHBondContact O-N 3.02Å; N1214-K1217 PolarHBondContact O-N 3.18Å; N1214-K1217 VanDerWaalsContact O-N 3.08Å; N1214-V1218 WeakPolarHBondContact O-CG2 3.46Å; N1214-V1218 PolarHBondContact O-N 3.43Å; N1214-V1218 VanDerWaalsContact O-N 3.1Å
1215	L	29.7	Very low	29.1	Very low	144.6 Å²	144.6	134.3 Å²	134.3	76%	0.757	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-87.7	14.1	171	-92.2	169.4	0	0	0	112.2	F1211 K1217 V1218 S1219	F1211-L1215 HydrophobicContact CD1-CD1 4.02Å; F1211-L1215 HydrophobicContact CD1-CG 4.48Å; F1211-L1215 WeakPolarHBondContact O-CB 3.44Å; F1211-L1215 WeakPolarHBondContact O-CG 3.47Å; F1211-L1215 PolarHBondContact O-N 3.34Å; F1211-L1215 VanDerWaalsContact O-N 3.1Å; L1215-K1217 VanDerWaalsContact C-N 3.34Å; L1215-K1217 PolarHBondContact O-N 3.35Å; L1215-K1217 VanDerWaalsContact O-N 3.16Å; L1215-V1218 PolarHBondContact O-N 2.91Å; L1215-V1218 VanDerWaalsContact O-N 3.08Å; L1215-S1219 PolarHBondContact O-N 3.47Å; L1215-S1219 PolarHBondContact O-OG 3.25Å
1216	H	28.8	Very low	28.9	Very low	152 Å²	152	134.9 Å²	134.9	70%	0.704	69%	0.688	S	S	*	*			trans	-112.3	35	177.3	-141.4	-80.6	0	0	0	113.7	K1212 R1213 N1214 Y1220	K1212-H1216 WeakPolarHBondContact O-CB 3.32Å; K1212-H1216 PolarHBondContact O-N 3.01Å; R1213-H1216 WeakPolarHBondContact O-CB 3.41Å; R1213-H1216 PolarHBondContact O-N 2.72Å; N1214-H1216 VanDerWaalsContact C-N 3.29Å; N1214-H1216 PolarHBondContact O-N 3.02Å; H1216-Y1220 AromaticContact CE1-CD2 3.79Å; H1216-Y1220 AromaticContact CE1-CE2 3.58Å; H1216-Y1220 AromaticContact ND1-CD2 3.69Å; H1216-Y1220 AromaticContact ND1-CE2 3.87Å
1217	K	27.5	Very low	28.7	Very low	174.8 Å²	174.8	135.1 Å²	135.1	76%	0.76	69%	0.69	S	S	*	*			trans	-139.5	32.3	174.1	-89.5	176.2	-178	-179.3	0	114.4	R1213 N1214 L1215 S1219 T1221	R1213-K1217 WeakPolarHBondContact O-CB 3.2Å; R1213-K1217 VanDerWaalsContact O-CG 3.26Å; R1213-K1217 WeakPolarHBondContact O-CG 3.46Å; R1213-K1217 PolarHBondContact O-N 3.06Å; N1214-K1217 PolarHBondContact O-N 3.18Å; N1214-K1217 VanDerWaalsContact O-N 3.08Å; L1215-K1217 VanDerWaalsContact C-N 3.34Å; L1215-K1217 PolarHBondContact O-N 3.35Å; L1215-K1217 VanDerWaalsContact O-N 3.16Å; K1217-S1219 PolarHBondContact O-N 3.03Å; K1217-T1221 WeakPolarHBondContact O-CG2 3.47Å
1218	V	28.1	Very low	28.5	Very low	130.6 Å²	130.6	135 Å²	135	79%	0.792	70%	0.695	S	S	*	*			trans	-117.1	76.7	156.8	170.8	0	0	0	0	108	N1214 L1215	N1214-V1218 WeakPolarHBondContact O-CG2 3.46Å; N1214-V1218 PolarHBondContact O-N 3.43Å; N1214-V1218 VanDerWaalsContact O-N 3.1Å; L1215-V1218 PolarHBondContact O-N 2.91Å; L1215-V1218 VanDerWaalsContact O-N 3.08Å
1219	S	26.6	Very low	28.4	Very low	71 Å²	71	134.7 Å²	134.7	50%	0.497	70%	0.696	S	S	.	*			trans	-123	100.5	169.7	61.7	0	0	0	0	113.3	L1215 K1217	L1215-S1219 PolarHBondContact O-N 3.47Å; L1215-S1219 PolarHBondContact O-OG 3.25Å; K1217-S1219 PolarHBondContact O-N 3.03Å
1220	Y	28.7	Very low	28.2	Very low	193.4 Å²	193.4	137.1 Å²	137.1	76%	0.758	71%	0.708	S	S	*	*			trans	-118.7	106.5	167.3	-74.6	-82.2	0	0	0	112.2	I1153 H1216 S1222	I1153-Y1220 HydrophobicContact CD1-CD1 4.43Å; I1153-Y1220 HydrophobicContact CD1-CG 4.2Å; I1153-Y1220 HydrophobicContact CG1-CG 4.28Å; H1216-Y1220 AromaticContact CE1-CD2 3.79Å; H1216-Y1220 AromaticContact CE1-CE2 3.58Å; H1216-Y1220 AromaticContact ND1-CD2 3.69Å; H1216-Y1220 AromaticContact ND1-CE2 3.87Å; Y1220-S1222 PolarHBondContact O-N 3.14Å
1221	T	25.9	Very low	28.1	Very low	117.8 Å²	117.8	139.8 Å²	139.8	72%	0.723	72%	0.717	S	S	*	*			trans	-25	110.5	135.9	58.9	0	0	0	0	113.6	I1153 K1217	I1153-T1221 WeakPolarHBondContact CD1-O 3.25Å; K1217-T1221 WeakPolarHBondContact O-CG2 3.47Å
1222	S	26.9	Very low	28	Very low	88.8 Å²	88.8	137.8 Å²	137.8	62%	0.621	72%	0.718	S	S	*	*			trans	161.8	134.6	169.4	63	0	0	0	0	114.2	Y1220 S1224	Y1220-S1222 PolarHBondContact O-N 3.14Å; S1222-S1224 PolarHBondContact O-N 3.45Å
1223	L	25.6	Very low	27.9	Very low	141.8 Å²	141.8	135.3 Å²	135.3	74%	0.742	72%	0.718	S	S	*	*			trans	-95.8	93.6	165.8	-134.9	71.8	0	0	0	113.8	M1152 L1225	M1152-L1223 HydrophobicContact CE-CB 3.71Å; M1152-L1223 HydrophobicContact CE-CD2 3.88Å; M1152-L1223 HydrophobicContact CE-CG 4.38Å; M1152-L1223 HydrophobicContact SD-CD2 3.86Å; L1223-L1225 VanDerWaalsContact C-N 3.3Å; L1223-L1225 HydrophobicContact CD1-CD1 4.14Å; L1223-L1225 HydrophobicContact CD2-CD1 4.32Å; L1223-L1225 HydrophobicContact CG-CD1 4.13Å; L1223-L1225 PolarHBondContact O-N 3.28Å
1224	S	25.8	Very low	27.8	Very low	107.4 Å²	107.4	134.3 Å²	134.3	75%	0.751	72%	0.724	S	S	*	*			trans	-94.5	115	154.3	98.6	0	0	0	0	112.3	S1222 H1226	S1222-S1224 PolarHBondContact O-N 3.45Å; S1224-H1226 VanDerWaalsContact C-N 3.35Å; S1224-H1226 PolarHBondContact O-N 2.97Å
1225	L	27.1	Very low	27.6	Very low	126.2 Å²	126.2	132.8 Å²	132.8	66%	0.661	72%	0.724	S	S	*	*			trans	-108.3	124.8	159.7	-131.4	106.4	0	0	0	112.7	L1223 N1227 F1304 K1311	L1223-L1225 VanDerWaalsContact C-N 3.3Å; L1223-L1225 HydrophobicContact CD1-CD1 4.14Å; L1223-L1225 HydrophobicContact CD2-CD1 4.32Å; L1223-L1225 HydrophobicContact CG-CD1 4.13Å; L1223-L1225 PolarHBondContact O-N 3.28Å; L1225-N1227 PolarHBondContact O-N 2.73Å; L1225-F1304 HydrophobicContact CD1-CE1 3.99Å; L1225-F1304 HydrophobicContact CD1-CE2 4.47Å; L1225-F1304 HydrophobicContact CD1-CZ 3.56Å; L1225-F1304 HydrophobicContact CD2-CE2 3.79Å; L1225-F1304 HydrophobicContact CD2-CZ 3.6Å; L1225-F1304 HydrophobicContact CG-CZ 4.19Å; L1225-K1311 HydrophobicContact CD1-CB 4.17Å; L1225-K1311 HydrophobicContact CD1-CD 4.32Å; L1225-K1311 HydrophobicContact CD2-CB 4.3Å
1226	H	26.7	Very low	27.5	Very low	153.4 Å²	153.4	132.6 Å²	132.6	71%	0.71	72%	0.724	S	S	*	*			trans	-121.8	125	173.6	-131	-82.2	0	0	0	111.7	S1224 T1228 D1308	S1224-H1226 VanDerWaalsContact C-N 3.35Å; S1224-H1226 PolarHBondContact O-N 2.97Å; H1226-T1228 PolarHBondContact CE1-O 3.47Å; H1226-T1228 PolarHBondContact CE1-OG1 3.18Å; H1226-T1228 VanDerWaalsContact CE1-OG1 3.3Å; H1226-T1228 PolarHBondContact ND1-OG1 2.96Å; H1226-T1228 VanDerWaalsContact ND1-OG1 3.13Å; H1226-D1308 IonicContact CE1-OD2 3.72Å
1227	N	26.9	Very low	27.4	Very low	143.8 Å²	143.8	133.5 Å²	133.5	77%	0.769	73%	0.728	S	S	*	*			trans	-158.6	81.8	154.2	-119.3	6.6	0	0	0	115.2	L1225	L1225-N1227 PolarHBondContact O-N 2.73Å
1228	T	27.4	Very low	27.5	Very low	117.2 Å²	117.2	130.9 Å²	130.9	72%	0.719	73%	0.726	S	S	*	*			trans	-121.8	114.2	143.1	46.1	0	0	0	0	110.4	H1226	H1226-T1228 PolarHBondContact CE1-O 3.47Å; H1226-T1228 PolarHBondContact CE1-OG1 3.18Å; H1226-T1228 VanDerWaalsContact CE1-OG1 3.3Å; H1226-T1228 PolarHBondContact ND1-OG1 2.96Å; H1226-T1228 VanDerWaalsContact ND1-OG1 3.13Å
1229	N	28.2	Very low	27.5	Very low	144 Å²	144	130 Å²	130	77%	0.77	72%	0.721	S	S	*	*			trans	146.8	126.7	144.7	-98.6	-5.4	0	0	0	111.1
1230	I	29.8	Very low	27.5	Very low	145.2 Å²	145.2	133.8 Å²	133.8	75%	0.745	74%	0.736	S	S	*	*			trans	73.5	114.2	144.4	-59.5	170.3	0	0	0	113
1231	N	27.9	Very low	27.5	Very low	138 Å²	138	129.4 Å²	129.4	74%	0.738	73%	0.733	S	S	*	*			trans	100.7	122.3	154	-83.5	-8.2	0	0	0	114.3
1232	T	27.9	Very low	27.6	Very low	120.2 Å²	120.2	131.3 Å²	131.3	74%	0.737	74%	0.736	S	S	*	*				-176.5	134	129.3	56.2	0	0	0	0	113.2	R1374	T1232-R1374 PolarHBondContact OG1-NH1 3.03Å
1233	T	28.7	Very low	27.7	Very low	119.8 Å²	119.8	134.4 Å²	134.4	74%	0.735	74%	0.742	S	S	*	*			trans	114.3	124	169.6	44.9	0	0	0	0	115.2
1234	I	28.8	Very low	27.9	Very low	160.4 Å²	160.4	133.4 Å²	133.4	82%	0.823	74%	0.738	S	S	*	*			trans	72.4	87.2	141.9	-51.2	173.5	0	0	0	111.8
1235	S	25.8	Very low	28.2	Very low	99.2 Å²	99.2	134.4 Å²	134.4	69%	0.694	74%	0.735	S	S	*	*				179.8	126.6	106.2	174.9	0	0	0	0	110.7
1236	N	27.4	Very low	28.3	Very low	140.6 Å²	140.6	133.3 Å²	133.3	75%	0.752	73%	0.734	S	S	*	*			trans	121.2	117	163.8	-77.8	-11.1	0	0	0	114.1
1237	H	28.1	Very low	28.5	Very low	170.4 Å²	170.4	132.3 Å²	132.3	79%	0.789	73%	0.733	S	S	*	*			trans	110.1	136.3	150.6	-89.2	-91.3	0	0	0	115.8
1238	V	29.4	Very low	28.6	Very low	119.2 Å²	119.2	131.5 Å²	131.5	72%	0.722	73%	0.729	S	S	*	*				75.7	105.9	126.4	-179.5	0	0	0	0	114.1
1239	T	28	Very low	28.8	Very low	111.4 Å²	111.4	132 Å²	132	68%	0.683	73%	0.726	S	S	*	*				-30.1	145.2	129.8	51.3	0	0	0	0	113
1240	N	27	Very low	28.9	Very low	150.8 Å²	150.8	132.5 Å²	132.5	81%	0.806	72%	0.724	S	S	*	*			trans	50.9	128.7	154.4	-53.9	-9.2	0	0	0	117.1
1241	S	28.2	Very low	28.9	Very low	101.6 Å²	101.6	132.5 Å²	132.5	71%	0.71	73%	0.725	S	S	*	*			cis	-154.2	149.2	49.3	175.8	0	0	0	0	111.2
1242	M	26.9	Very low	28.9	Very low	157.8 Å²	157.8	130.6 Å²	130.6	78%	0.777	72%	0.719	S	S	*	*			trans	25.4	144.5	149.1	-67.3	166.5	152.9	0	0	117.5
1243	M	29.5	Very low	28.9	Very low	153.8 Å²	153.8	133.5 Å²	133.5	76%	0.758	72%	0.721	S	S	*	*				152.4	141.4	77.7	-99	166.8	165.9	0	0	114.4
1244	N	30	Very low	28.9	Very low	121.8 Å²	121.8	134.6 Å²	134.6	65%	0.651	72%	0.722	S	S	*	*			trans	53.8	141.7	143.2	-59.7	30.2	0	0	0	119.1	T1246	N1244-T1246 HydrophobicContact CB-CG2 4.35Å
1245	D	31.4	Very low	28.9	Very low	127.6 Å²	127.6	132.8 Å²	132.8	68%	0.682	71%	0.714	S	S	*	*			cis	-167.7	150.4	15.7	-88.9	-28.3	0	0	0	113.9
1246	T	30.8	Very low	29.1	Very low	103 Å²	103	134.8 Å²	134.8	63%	0.632	72%	0.717	S	S	*	*				72.6	121.6	121.1	52.3	0	0	0	0	119.3	N1244	N1244-T1246 HydrophobicContact CB-CG2 4.35Å
1247	N	30.3	Very low	29.4	Very low	132 Å²	132	132.9 Å²	132.9	71%	0.706	71%	0.712	S	S	*	*			trans	74.7	144.8	132.4	-59.2	-6.5	0	0	0	121.1
1248	N	29.7	Very low	29.5	Very low	127.4 Å²	127.4	131.9 Å²	131.9	68%	0.681	71%	0.713	S	S	*	*			cis	152.4	155.9	13.2	-89.7	-1	0	0	0	113.3
1249	I	31.6	Very low	29.5	Very low	128.2 Å²	128.2	133.1 Å²	133.1	66%	0.657	71%	0.714	S	S	*	*				103.7	144.5	97.8	-88.4	166.5	0	0	0	115.5
1250	E	29.8	Very low	29.6	Very low	154 Å²	154	135.2 Å²	135.2	72%	0.72	72%	0.717	S	S	*	*			cis	104	134.9	29.5	-80.4	160	168.7	0	0	113.4	T1252	E1250-T1252 PolarHBondContact O-N 3.47Å
1251	D	29	Very low	29.7	Very low	145.2 Å²	145.2	133.5 Å²	133.5	78%	0.776	71%	0.708	S	S	*	*				74.1	134.8	113.1	-100.4	6.7	0	0	0	118.6	K1253	D1251-K1253 IonicContact OD2-NZ 2.71Å
1252	T	29.5	Very low	29.8	Very low	99 Å²	99	134.3 Å²	134.3	61%	0.607	71%	0.705	S	S	*	*			trans	-165.7	138.8	160.1	38.9	0	0	0	0	115.7	E1250	E1250-T1252 PolarHBondContact O-N 3.47Å
1253	K	27.1	Very low	29.8	Very low	180 Å²	180	133.2 Å²	133.2	78%	0.783	70%	0.702	S	S	*	*				67.5	139.2	128.6	-64.4	167.1	-174.2	159.5	0	118.3	D1251	D1251-K1253 IonicContact OD2-NZ 2.71Å
1254	L	29.1	Very low	29.8	Very low	142.4 Å²	142.4	134.5 Å²	134.5	75%	0.746	71%	0.706	S	S	*	*			cis	-172.5	154.6	49.8	-138.7	71.8	0	0	0	113.7
1255	N	29.1	Very low	29.6	Very low	124 Å²	124	136.2 Å²	136.2	66%	0.663	71%	0.711	S	S	*	*			trans	-5.3	151.1	150.2	-57.7	20.6	0	0	0	120
1256	D	28.8	Very low	29.5	Very low	140.8 Å²	140.8	138.3 Å²	138.3	75%	0.753	72%	0.716	S	S	*	*				164.1	159.7	69.1	-88.2	-27.3	0	0	0	116
1257	P	34.5	Very low	29.3	Very low	101.2 Å²	101.2	142.1 Å²	142.1	66%	0.657	72%	0.723	S	S	*	*			trans	-117	175.1	-156.5	41.1	-30.7	0	0	0	114.7
1258	N	29.2	Very low	29	Very low	149.2 Å²	149.2	145.3 Å²	145.3	80%	0.798	73%	0.731	S	S	*	*			trans	145.8	151.2	146.5	-91	-32.2	0	0	0	118
1259	I	30	Very low	28.8	Very low	143.8 Å²	143.8	144.5 Å²	144.5	74%	0.737	74%	0.735	S	S	*	*			trans	92.9	110.7	147.5	-72	164.5	0	0	0	117.2
1260	M	30	Very low	28.6	Very low	155.2 Å²	155.2	150.3 Å²	150.3	77%	0.765	75%	0.748	S	S	*	*				60	142.1	125.5	-65.8	-177.3	108	0	0	121.3
1261	D	29	Very low	28.4	Very low	114.8 Å²	114.8	146 Å²	146	61%	0.614	75%	0.746	S	S	*	*			cis	155.8	156.9	26.4	-109.5	4.7	0	0	0	116.7
1262	N	30	Very low	28.4	Very low	119.4 Å²	119.4	146 Å²	146	64%	0.639	75%	0.746	S	S	*	*			trans	56.8	115.1	144.3	-65.8	-37	0	0	0	121.8
1263	N	27.8	Very low	28.4	Very low	133.6 Å²	133.6	147.6 Å²	147.6	71%	0.714	75%	0.75	S	S	*	*				71.5	138.1	118.7	-64.6	-9	0	0	0	120.6
1264	E	29.4	Very low	28.6	Very low	182.4 Å²	182.4	145.1 Å²	145.1	85%	0.852	75%	0.746	S	S	*	*			trans	89.6	155.3	136.9	-77.2	-174.3	177.8	0	0	119.9
1265	E	26	Very low	28.6	Very low	158 Å²	158	145.3 Å²	145.3	74%	0.738	75%	0.747	S	S	*	*			trans	-39.9	132.8	-178.2	-52.6	-164.4	131.7	0	0	116.1	K1267	E1265-K1267 IonicContact OE1-NZ 3.48Å; E1265-K1267 IonicContact OE2-NZ 2.69Å; E1265-K1267 PolarHBondContact OE2-NZ 3.47Å
1266	H	29.3	Very low	28.7	Very low	170.2 Å²	170.2	145.2 Å²	145.2	79%	0.788	75%	0.751	S	S	*	*				142.5	146.5	104.4	-93.3	-77.4	0	0	0	115.4	F1268	H1266-F1268 PolarHBondContact O-N 2.73Å
1267	K	25.9	Very low	28.8	Very low	183.2 Å²	183.2	145 Å²	145	80%	0.797	76%	0.755	S	S	*	*			trans	-96.2	140	156.2	-67.6	158.9	-178.5	165.9	0	112.2	E1265	E1265-K1267 IonicContact OE1-NZ 3.48Å; E1265-K1267 IonicContact OE2-NZ 2.69Å; E1265-K1267 PolarHBondContact OE2-NZ 3.47Å
1268	F	24.7	Very low	28.5	Very low	199.6 Å²	199.6	143.2 Å²	143.2	88%	0.875	76%	0.755	S	S	*	*			trans	-166.9	145.3	135.2	-120.6	-96.8	0	0	0	113.7	H1266	H1266-F1268 PolarHBondContact O-N 2.73Å
1269	C	25.7	Very low	28.5	Very low	111 Å²	111	144 Å²	144	75%	0.75	76%	0.758	S	S	*	*			trans	-77.8	168.2	163.4	-68.8	0	0	0	0	116.5
1270	R	26	Very low	28.5	Very low	248.6 Å²	248.6	144.6 Å²	144.6	94%	0.938	76%	0.762	S	S	*	*			trans	126.6	132	-176.2	-152.5	-177	-168.3	176.9	1.9	113.6
1271	G	27	Very low	28.3	Very low	65.2 Å²	65.2	144.5 Å²	144.5	67%	0.672	77%	0.765	S	S	*	*			trans	118.8	140.8	152.3	0	0	0	0	0	114.3
1272	N	27.4	Very low	28.3	Very low	144.8 Å²	144.8	146.3 Å²	146.3	77%	0.774	77%	0.774	S	S	*	*				106.7	146.3	90.2	-108	46.7	0	0	0	113.6
1273	N	31	Very low	28.2	Very low	131.4 Å²	131.4	149.4 Å²	149.4	70%	0.703	78%	0.782	S	S	*	*			trans	93.6	113.1	138.7	-59.8	-1.8	0	0	0	115.1
1274	D	31.5	Very low	28.1	Very low	128 Å²	128	148.6 Å²	148.6	68%	0.684	79%	0.786	S	S	*	*				99.7	134.9	77.5	-75.9	-16.9	0	0	0	115.9	V1276	D1274-V1276 VanDerWaalsContact C-N 3.27Å; D1274-V1276 HydrophobicContact CB-CG2 4.09Å; D1274-V1276 PolarHBondContact O-N 3.3Å
1275	N	28.8	Very low	28	Very low	146.2 Å²	146.2	148.8 Å²	148.8	78%	0.782	78%	0.784	S	S	*	*			trans	48	134.9	135.3	-74.4	-38.3	0	0	0	116.4	T1277	N1275-T1277 PolarHBondContact O-N 3.35Å
1276	V	31.5	Very low	28.1	Very low	121.6 Å²	121.6	147.6 Å²	147.6	74%	0.737	78%	0.782	S	S	*	*				-151.8	116.8	108.1	168.1	0	0	0	0	113.4	D1274 G1278	D1274-V1276 VanDerWaalsContact C-N 3.27Å; D1274-V1276 HydrophobicContact CB-CG2 4.09Å; D1274-V1276 PolarHBondContact O-N 3.3Å; V1276-G1278 PolarHBondContact O-N 2.76Å
1277	T	30.1	Very low	28	Very low	137.2 Å²	137.2	144.6 Å²	144.6	84%	0.842	78%	0.78	S	S	*	*			trans	-1.1	130.3	160.6	52.7	0	0	0	0	117	N1275	N1275-T1277 PolarHBondContact O-N 3.35Å
1278	G	28.3	Very low	28.1	Very low	64 Å²	64	142 Å²	142	66%	0.66	78%	0.78	S	S	*	*			cis	141.3	109.9	-1.4	0	0	0	0	0	113.3	V1276	V1276-G1278 PolarHBondContact O-N 2.76Å
1279	L	28.8	Very low	28.3	Very low	165 Å²	165	141.9 Å²	141.9	86%	0.864	78%	0.779	S	S	*	*			trans	168.7	102.1	171.9	-96.6	161.7	0	0	0	114.5
1280	L	29.5	Very low	28.3	Very low	156.2 Å²	156.2	145.7 Å²	145.7	82%	0.818	79%	0.786	S	S	*	*			trans	71.6	77.6	162.6	-105.5	71.2	0	0	0	115.9
1281	N	27.6	Very low	28.3	Very low	154.8 Å²	154.8	144.4 Å²	144.4	83%	0.828	78%	0.781	S	S	*	*			trans	-113.2	99.6	134.4	-88.7	-25.7	0	0	0	111.5
1282	L	27.5	Very low	28.2	Very low	152.2 Å²	152.2	146.4 Å²	146.4	80%	0.797	78%	0.783	S	S	*	*			trans	-137.9	93.9	153.7	-145.5	78.9	0	0	0	112.8
1283	F	28.6	Very low	28.3	Very low	183.4 Å²	183.4	147.9 Å²	147.9	80%	0.804	79%	0.785	S	S	*	*	S	Bend	trans	96.9	86.8	168.1	-77.7	-90.3	0	0	0	115.2	F1285	F1283-F1285 HydrophobicContact CB-CB 4.21Å; F1283-F1285 HydrophobicContact CD1-CB 3.93Å; F1283-F1285 HydrophobicContact CD1-CD1 4.18Å; F1283-F1285 AromaticContact CD1-CD2 3.42Å; F1283-F1285 HydrophobicContact CD1-CD2 3.42Å; F1283-F1285 VanDerWaalsContact CD1-CD2 3.42Å; F1283-F1285 AromaticContact CD1-CE2 3.87Å; F1283-F1285 HydrophobicContact CD1-CE2 3.87Å; F1283-F1285 AromaticContact CD1-CG 3.6Å; F1283-F1285 HydrophobicContact CD1-CG 3.6Å; F1283-F1285 HydrophobicContact CD1-CZ 4.42Å; F1283-F1285 HydrophobicContact CE1-CD1 4.42Å; F1283-F1285 AromaticContact CE1-CD2 3.59Å; F1283-F1285 HydrophobicContact CE1-CD2 3.59Å; F1283-F1285 HydrophobicContact CE1-CE1 4.35Å; F1283-F1285 AromaticContact CE1-CE2 3.51Å; F1283-F1285 HydrophobicContact CE1-CE2 3.51Å; F1283-F1285 HydrophobicContact CE1-CG 4.08Å; F1283-F1285 AromaticContact CE1-CZ 3.92Å; F1283-F1285 HydrophobicContact CE1-CZ 3.92Å; F1283-F1285 HydrophobicContact CG-CB 4.47Å; F1283-F1285 HydrophobicContact CG-CD2 4.24Å; F1283-F1285 HydrophobicContact CZ-CE2 4.29Å
1284	C	26.2	Very low	28.1	Very low	118 Å²	118	148.3 Å²	148.3	80%	0.797	79%	0.787	S	S	*	*			trans	175.2	101.2	132.3	-117.4	0	0	0	0	112.4
1285	F	27.5	Very low	28	Very low	185.4 Å²	185.4	150.3 Å²	150.3	81%	0.813	79%	0.792	S	S	*	*			trans	-145.8	126	169.3	-143.2	-102.5	0	0	0	111	F1283	F1283-F1285 HydrophobicContact CB-CB 4.21Å; F1283-F1285 HydrophobicContact CD1-CB 3.93Å; F1283-F1285 HydrophobicContact CD1-CD1 4.18Å; F1283-F1285 AromaticContact CD1-CD2 3.42Å; F1283-F1285 HydrophobicContact CD1-CD2 3.42Å; F1283-F1285 VanDerWaalsContact CD1-CD2 3.42Å; F1283-F1285 AromaticContact CD1-CE2 3.87Å; F1283-F1285 HydrophobicContact CD1-CE2 3.87Å; F1283-F1285 AromaticContact CD1-CG 3.6Å; F1283-F1285 HydrophobicContact CD1-CG 3.6Å; F1283-F1285 HydrophobicContact CD1-CZ 4.42Å; F1283-F1285 HydrophobicContact CE1-CD1 4.42Å; F1283-F1285 AromaticContact CE1-CD2 3.59Å; F1283-F1285 HydrophobicContact CE1-CD2 3.59Å; F1283-F1285 HydrophobicContact CE1-CE1 4.35Å; F1283-F1285 AromaticContact CE1-CE2 3.51Å; F1283-F1285 HydrophobicContact CE1-CE2 3.51Å; F1283-F1285 HydrophobicContact CE1-CG 4.08Å; F1283-F1285 AromaticContact CE1-CZ 3.92Å; F1283-F1285 HydrophobicContact CE1-CZ 3.92Å; F1283-F1285 HydrophobicContact CG-CB 4.47Å; F1283-F1285 HydrophobicContact CG-CD2 4.24Å; F1283-F1285 HydrophobicContact CZ-CE2 4.29Å
1286	N	27.4	Very low	27.9	Very low	132.6 Å²	132.6	149.4 Å²	149.4	71%	0.709	80%	0.797	S	S	*	*			trans	73.9	134.3	151.8	-98.3	-16.8	0	0	0	116.1
1287	C	26.7	Very low	27.7	Very low	108.8 Å²	108.8	147 Å²	147	74%	0.735	80%	0.797	S	S	*	*			trans	107.1	94	149.2	-84.1	0	0	0	0	117
1288	T	28.9	Very low	27.7	Very low	128.6 Å²	128.6	149.8 Å²	149.8	79%	0.789	80%	0.798	S	S	*	*				79.8	120.8	129.3	52.8	0	0	0	0	116.6	Q1290	T1288-Q1290 PolarHBondContact O-N 3.05Å
1289	K	27.4	Very low	27.7	Very low	197.2 Å²	197.2	152.1 Å²	152.1	86%	0.857	80%	0.804	S	S	*	*				92.3	70.1	127.5	-156	-179.7	-175.5	178.3	0	118.7
1290	Q	26.9	Very low	27.7	Very low	191 Å²	191	150.3 Å²	150.3	89%	0.893	80%	0.799	S	S	*	*			trans	-139.7	106.2	147.5	-111.4	172.1	5.2	0	0	109.9	T1288	T1288-Q1290 PolarHBondContact O-N 3.05Å
1291	R	25.2	Very low	27.7	Very low	220.8 Å²	220.8	149.8 Å²	149.8	83%	0.833	80%	0.797	S	S	*	*				173.3	138.1	89	-108.4	-179.8	172.4	158.9	-0.6	111.5	E1870	R1291-E1870 IonicContact NH1-OE1 2.9Å; R1291-E1870 PolarHBondContact NH1-OE1 2.71Å
1292	C	26.3	Very low	27.9	Very low	108.2 Å²	108.2	149.3 Å²	149.3	73%	0.731	80%	0.795	S	S	*	*			trans	82	125.9	140.5	-61.1	0	0	0	0	113.1
1293	Q	28.5	Very low	28.1	Very low	175.2 Å²	175.2	150.3 Å²	150.3	82%	0.819	79%	0.793	S	S	*	*				169.8	133	110	-97.3	-175.4	-30	0	0	111.4
1294	L	27.8	Very low	28.1	Very low	140.2 Å²	140.2	150.4 Å²	150.4	73%	0.734	79%	0.793	S	S	*	*			trans	-144.7	132.8	165.2	-125.7	92.3	0	0	0	108.8	K1303	L1294-K1303 HydrophobicContact CD1-CB 3.63Å; L1294-K1303 HydrophobicContact CD2-CB 3.82Å; L1294-K1303 HydrophobicContact CG-CB 4.23Å
1295	E	27.7	Very low	28.4	Very low	170.6 Å²	170.6	150.8 Å²	150.8	80%	0.797	79%	0.788	S	S	*	*				-159.8	159.1	115.5	-99.7	166.7	177.5	0	0	114.9
1296	S	28.2	Very low	28.7	Very low	125.4 Å²	125.4	147.6 Å²	147.6	88%	0.877	78%	0.783	S	S	*	*			trans	57.1	134.4	172.9	72.7	0	0	0	0	117.5
1297	G	27.5	Very low	28.9	Very low	71.8 Å²	71.8	147.2 Å²	147.2	74%	0.74	78%	0.781	S	S	*	*			trans	-167.3	112.2	173.1	0	0	0	0	0	115.3
1298	K	28.3	Very low	29.3	Very low	196.2 Å²	196.2	147.2 Å²	147.2	85%	0.853	77%	0.773	S	S	*	*			trans	96.4	132.2	164.5	-81.2	171.1	-178.9	177.1	0	114.6
1299	S	28	Very low	29.5	Very low	113.2 Å²	113.2	145.5 Å²	145.5	79%	0.792	77%	0.766	S	S	*	*			trans	52.4	126.4	150.4	61.2	0	0	0	0	118.2	N1301	S1299-N1301 PolarHBondContact O-N 3.32Å
1300	V	30.5	Very low	29.9	Very low	126.2 Å²	126.2	143.2 Å²	143.2	77%	0.765	76%	0.76	S	S	*	*			trans	-166.3	104.8	149.1	-175.2	0	0	0	0	113.6	D1302	V1300-D1302 VanDerWaalsContact C-N 3.3Å; V1300-D1302 PolarHBondContact O-N 2.69Å
1301	N	28.4	Very low	30.3	Very low	146.6 Å²	146.6	140.9 Å²	140.9	78%	0.784	75%	0.748	S	S	*	*			trans	-10.4	133	159.2	-68.9	-6	0	0	0	116.8	S1299 K1303	S1299-N1301 PolarHBondContact O-N 3.32Å; N1301-K1303 PolarHBondContact O-N 2.71Å
1302	D	31.6	Very low	30.8	Very low	144.6 Å²	144.6	135.4 Å²	135.4	77%	0.773	74%	0.735	S	S	*	*			trans	99.4	89.5	149	-82.6	-22.8	0	0	0	118.8	V1300	V1300-D1302 VanDerWaalsContact C-N 3.3Å; V1300-D1302 PolarHBondContact O-N 2.69Å
1303	K	31.9	Very low	31.4	Very low	172 Å²	172	136.6 Å²	136.6	75%	0.748	73%	0.73	S	S	*	*			trans	-139.4	109.2	158.3	-86.3	171.8	-177.8	157.4	0	116.4	L1294 N1301	L1294-K1303 HydrophobicContact CD1-CB 3.63Å; L1294-K1303 HydrophobicContact CD2-CB 3.82Å; L1294-K1303 HydrophobicContact CG-CB 4.23Å; N1301-K1303 PolarHBondContact O-N 2.71Å
1304	F	29.9	Very low	31.9	Very low	185.4 Å²	185.4	131.2 Å²	131.2	81%	0.813	71%	0.712	S	S	*	*			trans	-68.7	109.1	166.6	-96	-95.5	0	0	0	116.6	L1225	L1225-F1304 HydrophobicContact CD1-CE1 3.99Å; L1225-F1304 HydrophobicContact CD1-CE2 4.47Å; L1225-F1304 HydrophobicContact CD1-CZ 3.56Å; L1225-F1304 HydrophobicContact CD2-CE2 3.79Å; L1225-F1304 HydrophobicContact CD2-CZ 3.6Å; L1225-F1304 HydrophobicContact CG-CZ 4.19Å
1305	N	31	Very low	32.7	Very low	127.6 Å²	127.6	127 Å²	127	68%	0.682	69%	0.694	S	S	*	*			trans	-126.2	70.5	166.6	-148.3	-5.2	0	0	0	113.7	N1307 H1554	N1305-N1307 PolarHBondContact O-N 3.22Å; N1305-H1554 PolarHBondContact ND2-NE2 2.87Å
1306	V	34	Very low	33.4	Very low	118.2 Å²	118.2	123.6 Å²	123.6	72%	0.716	68%	0.681	S	S	*	*			trans	-87.3	54.4	170	-176.1	0	0	0	0	112.5
1307	N	32.1	Very low	34.3	Very low	124 Å²	124	121.5 Å²	121.5	66%	0.663	66%	0.662	S	S	*	*			trans	-123.1	-5.1	178.5	-99.1	-13.6	0	0	0	114.8	N1305 S1309 M1310 K1311	N1305-N1307 PolarHBondContact O-N 3.22Å; N1307-S1309 VanDerWaalsContact C-N 3.34Å; N1307-S1309 PolarHBondContact O-N 3.32Å; N1307-M1310 PolarHBondContact O-N 2.97Å; N1307-K1311 PolarHBondContact O-N 2.94Å
1308	D	34.5	Very low	35.1	Very low	108.2 Å²	108.2	122.3 Å²	122.3	58%	0.579	65%	0.649	S	S	*	*	H	α-helix	trans	-98.1	-14.7	-177.5	-78.8	-42.7	0	0	0	114.7	H1226 M1310 K1311 N1312	H1226-D1308 IonicContact CE1-OD2 3.72Å; D1308-M1310 VanDerWaalsContact C-N 3.26Å; D1308-M1310 PolarHBondContact O-N 2.8Å; D1308-K1311 PolarHBondContact O-N 3.45Å; D1308-K1311 WeakPolarHBondContact OD1-CD 3.42Å; D1308-K1311 WeakPolarHBondContact OD1-CE 3.39Å; D1308-K1311 IonicContact OD1-NZ 3.14Å; D1308-K1311 PolarHBondContact OD1-NZ 3.07Å; D1308-N1312 PolarHBondContact O-N 3.39Å; D1308-N1312 VanDerWaalsContact O-N 3.08Å; D1308-N1312 PolarHBondContact O-ND2 2.99Å
1309	S	34.1	Very low	36.2	Very low	92 Å²	92	118.2 Å²	118.2	64%	0.643	64%	0.636	S	S	*	*	H	α-helix	trans	-71.7	-27.6	178.2	147.3	0	0	0	0	113.9	N1307 K1311 N1312 Q1313	N1307-S1309 VanDerWaalsContact C-N 3.34Å; N1307-S1309 PolarHBondContact O-N 3.32Å; S1309-K1311 PolarHBondContact O-N 3.47Å; S1309-N1312 PolarHBondContact O-N 3.01Å; S1309-Q1313 PolarHBondContact O-N 2.92Å; S1309-Q1313 VanDerWaalsContact O-N 3.11Å
1310	M	34.8	Very low	37	Very low	148.8 Å²	148.8	117.6 Å²	117.6	73%	0.733	62%	0.623	S	S	*	*	H	α-helix	trans	-80.5	-24.3	-177.4	-81.9	-165.5	162.6	0	0	114.6	N1307 D1308 N1312 Q1313 S1314	N1307-M1310 PolarHBondContact O-N 2.97Å; D1308-M1310 VanDerWaalsContact C-N 3.26Å; D1308-M1310 PolarHBondContact O-N 2.8Å; M1310-N1312 PolarHBondContact O-N 3.29Å; M1310-N1312 VanDerWaalsContact O-N 3.14Å; M1310-Q1313 PolarHBondContact O-N 3.09Å; M1310-Q1313 VanDerWaalsContact O-N 3.16Å; M1310-S1314 PolarHBondContact O-N 3.15Å; M1310-S1314 VanDerWaalsContact O-N 3.11Å
1311	K	34.9	Very low	38	Very low	143.4 Å²	143.4	118.4 Å²	118.4	62%	0.623	61%	0.613	S	S	*	*	H	α-helix	trans	-68.9	-25.8	-179.9	-81.4	-177.7	-179	166.5	0	114.3	L1225 N1307 D1308 S1309 Q1313 S1314	L1225-K1311 HydrophobicContact CD1-CB 4.17Å; L1225-K1311 HydrophobicContact CD1-CD 4.32Å; L1225-K1311 HydrophobicContact CD2-CB 4.3Å; N1307-K1311 PolarHBondContact O-N 2.94Å; D1308-K1311 PolarHBondContact O-N 3.45Å; D1308-K1311 WeakPolarHBondContact OD1-CD 3.42Å; D1308-K1311 WeakPolarHBondContact OD1-CE 3.39Å; D1308-K1311 IonicContact OD1-NZ 3.14Å; D1308-K1311 PolarHBondContact OD1-NZ 3.07Å; S1309-K1311 PolarHBondContact O-N 3.47Å; K1311-Q1313 VanDerWaalsContact C-N 3.32Å; K1311-S1314 PolarHBondContact O-OG 3.23Å
1312	N	37.4	Very low	39	Very low	106.6 Å²	106.6	118.1 Å²	118.1	57%	0.57	61%	0.605	S	S	*	*	H	α-helix	trans	-84.1	-18.7	177	-79.9	-32.2	0	0	0	113.2	D1308 S1309 M1310 S1314 S1315 L1316	D1308-N1312 PolarHBondContact O-N 3.39Å; D1308-N1312 VanDerWaalsContact O-N 3.08Å; D1308-N1312 PolarHBondContact O-ND2 2.99Å; S1309-N1312 PolarHBondContact O-N 3.01Å; M1310-N1312 PolarHBondContact O-N 3.29Å; M1310-N1312 VanDerWaalsContact O-N 3.14Å; N1312-S1314 PolarHBondContact O-N 3.13Å; N1312-S1315 PolarHBondContact O-N 3.07Å; N1312-S1315 PolarHBondContact O-OG 3.08Å; N1312-L1316 PolarHBondContact O-N 2.87Å
1313	Q	37.6	Very low	40	Very low	132 Å²	132	113.6 Å²	113.6	62%	0.617	59%	0.585	S	S	*	*	H	α-helix	trans	-83.3	-29.2	-179.2	-106.9	-178.7	-6.9	0	0	113.6	S1309 M1310 K1311 V1317	S1309-Q1313 PolarHBondContact O-N 2.92Å; S1309-Q1313 VanDerWaalsContact O-N 3.11Å; M1310-Q1313 PolarHBondContact O-N 3.09Å; M1310-Q1313 VanDerWaalsContact O-N 3.16Å; K1311-Q1313 VanDerWaalsContact C-N 3.32Å; Q1313-V1317 WeakPolarHBondContact O-CG2 3.39Å; Q1313-V1317 PolarHBondContact O-N 3.29Å
1314	S	40.3	Very low	41	Very low	62.8 Å²	62.8	108.4 Å²	108.4	44%	0.439	57%	0.568	S	S	.	*	H	α-helix	trans	-65.2	-50	173.6	52.6	0	0	0	0	111.8	M1310 K1311 N1312 L1316 V1317 D1318	M1310-S1314 PolarHBondContact O-N 3.15Å; M1310-S1314 VanDerWaalsContact O-N 3.11Å; K1311-S1314 PolarHBondContact O-OG 3.23Å; N1312-S1314 PolarHBondContact O-N 3.13Å; S1314-L1316 VanDerWaalsContact C-N 3.27Å; S1314-L1316 PolarHBondContact O-N 3.05Å; S1314-L1316 VanDerWaalsContact O-N 3.12Å; S1314-V1317 CarbonylContact O-C 3.59Å; S1314-V1317 WeakPolarHBondContact O-CA 3.45Å; S1314-V1317 WeakPolarHBondContact O-CB 3.41Å; S1314-V1317 PolarHBondContact O-N 3.12Å; S1314-V1317 VanDerWaalsContact O-N 3.16Å; S1314-D1318 WeakPolarHBondContact CB-OD2 3.48Å; S1314-D1318 WeakPolarHBondContact O-CB 3.41Å; S1314-D1318 VanDerWaalsContact O-CG 3.3Å; S1314-D1318 PolarHBondContact O-N 3.2Å; S1314-D1318 VanDerWaalsContact O-N 3.08Å; S1314-D1318 VanDerWaalsContact O-OD2 3.14Å
1315	S	44.5	Very low	42.5	Very low	51.6 Å²	51.6	103.8 Å²	103.8	36%	0.361	55%	0.551	S	S	.	*	H	α-helix	trans	-56.4	-34.7	-176.6	64.6	0	0	0	0	114	N1312 D1318 I1319	N1312-S1315 PolarHBondContact O-N 3.07Å; N1312-S1315 PolarHBondContact O-OG 3.08Å; S1315-D1318 PolarHBondContact O-N 3.18Å; S1315-I1319 VanDerWaalsContact O-CB 3.3Å; S1315-I1319 WeakPolarHBondContact O-CB 3.33Å; S1315-I1319 VanDerWaalsContact O-CD1 3.31Å; S1315-I1319 WeakPolarHBondContact O-CD1 3.41Å; S1315-I1319 VanDerWaalsContact O-CG1 3.25Å; S1315-I1319 WeakPolarHBondContact O-CG1 3.36Å; S1315-I1319 PolarHBondContact O-N 3.23Å; S1315-I1319 VanDerWaalsContact O-N 3.09Å
1316	L	41.3	Very low	43.9	Very low	100 Å²	100	101.7 Å²	101.7	52%	0.524	54%	0.539	S	S	.	.	H	α-helix	trans	-74.2	-34.2	178.6	-135	170.7	0	0	0	112	N1312 S1314 L1320	N1312-L1316 PolarHBondContact O-N 2.87Å; S1314-L1316 VanDerWaalsContact C-N 3.27Å; S1314-L1316 PolarHBondContact O-N 3.05Å; S1314-L1316 VanDerWaalsContact O-N 3.12Å; L1316-L1320 HydrophobicContact CD2-CD1 3.91Å; L1316-L1320 HydrophobicContact CD2-CG 4.28Å; L1316-L1320 WeakPolarHBondContact O-CB 3.26Å; L1316-L1320 WeakPolarHBondContact O-CD1 3.41Å; L1316-L1320 VanDerWaalsContact O-CG 3.32Å; L1316-L1320 WeakPolarHBondContact O-CG 3.38Å; L1316-L1320 PolarHBondContact O-N 2.99Å; L1316-L1320 VanDerWaalsContact O-N 3.11Å
1317	V	47.5	Very low	45	Very low	79.6 Å²	79.6	103.2 Å²	103.2	48%	0.482	53%	0.533	S	S	.	.	H	α-helix	trans	-69.1	-43.2	173.2	176	0	0	0	0	110.4	Q1313 S1314 I1319 L1320 Y1321	Q1313-V1317 WeakPolarHBondContact O-CG2 3.39Å; Q1313-V1317 PolarHBondContact O-N 3.29Å; S1314-V1317 CarbonylContact O-C 3.59Å; S1314-V1317 WeakPolarHBondContact O-CA 3.45Å; S1314-V1317 WeakPolarHBondContact O-CB 3.41Å; S1314-V1317 PolarHBondContact O-N 3.12Å; S1314-V1317 VanDerWaalsContact O-N 3.16Å; V1317-I1319 PolarHBondContact O-N 2.83Å; V1317-L1320 PolarHBondContact O-N 3.07Å; V1317-L1320 VanDerWaalsContact O-N 3.14Å; V1317-Y1321 WeakPolarHBondContact O-CB 3.29Å; V1317-Y1321 PolarHBondContact O-N 3.08Å
1318	D	44.1	Very low	46.3	Very low	88.4 Å²	88.4	101.3 Å²	101.3	47%	0.473	52%	0.522	S	S	.	.	H	α-helix	trans	-63.3	-41.8	177.5	-63.2	-33.8	0	0	0	111.5	S1314 S1315 L1320 Y1321 F1322	S1314-D1318 WeakPolarHBondContact CB-OD2 3.48Å; S1314-D1318 WeakPolarHBondContact O-CB 3.41Å; S1314-D1318 VanDerWaalsContact O-CG 3.3Å; S1314-D1318 PolarHBondContact O-N 3.2Å; S1314-D1318 VanDerWaalsContact O-N 3.08Å; S1314-D1318 VanDerWaalsContact O-OD2 3.14Å; S1315-D1318 PolarHBondContact O-N 3.18Å; D1318-L1320 PolarHBondContact O-N 3.35Å; D1318-Y1321 PolarHBondContact O-N 3.2Å; D1318-F1322 WeakPolarHBondContact O-CB 3.29Å; D1318-F1322 VanDerWaalsContact O-CD2 3.3Å; D1318-F1322 WeakPolarHBondContact O-CD2 3.48Å; D1318-F1322 PolarHBondContact O-N 3.07Å
1319	I	51.9	Low	47.4	Very low	110.4 Å²	110.4	99.7 Å²	99.7	57%	0.566	52%	0.517	S	S	*	.	H	α-helix	trans	-62.4	-42	174.7	-72.6	164.7	0	0	0	111.5	S1315 V1317 Y1321 S1323	S1315-I1319 VanDerWaalsContact O-CB 3.3Å; S1315-I1319 WeakPolarHBondContact O-CB 3.33Å; S1315-I1319 VanDerWaalsContact O-CD1 3.31Å; S1315-I1319 WeakPolarHBondContact O-CD1 3.41Å; S1315-I1319 VanDerWaalsContact O-CG1 3.25Å; S1315-I1319 WeakPolarHBondContact O-CG1 3.36Å; S1315-I1319 PolarHBondContact O-N 3.23Å; S1315-I1319 VanDerWaalsContact O-N 3.09Å; V1317-I1319 PolarHBondContact O-N 2.83Å; I1319-Y1321 VanDerWaalsContact C-N 3.35Å; I1319-S1323 VanDerWaalsContact O-CB 3.22Å; I1319-S1323 WeakPolarHBondContact O-CB 3.42Å; I1319-S1323 PolarHBondContact O-N 3.33Å
1320	L	45.7	Very low	48.5	Very low	101.8 Å²	101.8	100.9 Å²	100.9	53%	0.533	51%	0.511	S	S	.	.	H	α-helix	trans	-67.3	-36.3	175.5	-76.3	166.4	0	0	0	112.1	L1316 V1317 D1318 S1323 T1324	L1316-L1320 HydrophobicContact CD2-CD1 3.91Å; L1316-L1320 HydrophobicContact CD2-CG 4.28Å; L1316-L1320 WeakPolarHBondContact O-CB 3.26Å; L1316-L1320 WeakPolarHBondContact O-CD1 3.41Å; L1316-L1320 VanDerWaalsContact O-CG 3.32Å; L1316-L1320 WeakPolarHBondContact O-CG 3.38Å; L1316-L1320 PolarHBondContact O-N 2.99Å; L1316-L1320 VanDerWaalsContact O-N 3.11Å; V1317-L1320 PolarHBondContact O-N 3.07Å; V1317-L1320 VanDerWaalsContact O-N 3.14Å; D1318-L1320 PolarHBondContact O-N 3.35Å; L1320-S1323 WeakPolarHBondContact O-CB 3.45Å; L1320-S1323 PolarHBondContact O-N 3.07Å; L1320-S1323 PolarHBondContact O-OG 3.11Å; L1320-T1324 WeakPolarHBondContact O-CB 3.48Å; L1320-T1324 WeakPolarHBondContact O-CG2 3.41Å; L1320-T1324 PolarHBondContact O-N 3.21Å; L1320-T1324 VanDerWaalsContact O-N 3.08Å; L1320-T1324 PolarHBondContact O-OG1 3.2Å
1321	Y	51.1	Low	49.6	Very low	142.6 Å²	142.6	99 Å²	99	56%	0.559	50%	0.504	S	S	*	.	H	α-helix	trans	-69.1	-44.4	177.1	-157.6	-110.7	0	0	0	111.9	V1317 D1318 I1319 S1323 T1324 I1325	V1317-Y1321 WeakPolarHBondContact O-CB 3.29Å; V1317-Y1321 PolarHBondContact O-N 3.08Å; D1318-Y1321 PolarHBondContact O-N 3.2Å; I1319-Y1321 VanDerWaalsContact C-N 3.35Å; Y1321-S1323 VanDerWaalsContact C-N 3.32Å; Y1321-S1323 PolarHBondContact O-N 2.97Å; Y1321-T1324 PolarHBondContact O-N 3.16Å; Y1321-T1324 PolarHBondContact O-OG1 3.05Å; Y1321-T1324 VanDerWaalsContact O-OG1 3.07Å; Y1321-I1325 HydrophobicContact CD1-CD1 3.72Å; Y1321-I1325 HydrophobicContact CD1-CG1 4.47Å; Y1321-I1325 HydrophobicContact CD2-CD1 4.45Å; Y1321-I1325 HydrophobicContact CE1-CD1 3.6Å; Y1321-I1325 VanDerWaalsContact CE1-CD1 3.48Å; Y1321-I1325 HydrophobicContact CE1-CG1 4.47Å; Y1321-I1325 HydrophobicContact CE2-CD1 4.28Å; Y1321-I1325 HydrophobicContact CE2-CG1 4.5Å; Y1321-I1325 HydrophobicContact CG-CD1 4.39Å; Y1321-I1325 WeakPolarHBondContact O-CB 3.41Å; Y1321-I1325 VanDerWaalsContact O-CG1 3.26Å; Y1321-I1325 WeakPolarHBondContact O-CG1 3.35Å; Y1321-I1325 PolarHBondContact O-N 3.03Å; Y1321-I1325 VanDerWaalsContact O-N 3.11Å
1322	F	48.8	Very low	50.9	Low	139.2 Å²	139.2	96.6 Å²	96.6	61%	0.611	50%	0.496	S	S	*	.	H	α-helix	trans	-62.2	-40.6	171.9	-96.8	-82.3	0	0	0	112.3	D1318 T1324 I1325 I1326	D1318-F1322 WeakPolarHBondContact O-CB 3.29Å; D1318-F1322 VanDerWaalsContact O-CD2 3.3Å; D1318-F1322 WeakPolarHBondContact O-CD2 3.48Å; D1318-F1322 PolarHBondContact O-N 3.07Å; F1322-T1324 VanDerWaalsContact C-N 3.31Å; F1322-T1324 PolarHBondContact O-N 2.96Å; F1322-I1325 PolarHBondContact O-N 3.04Å; F1322-I1326 HydrophobicContact CD1-CD1 4.13Å; F1322-I1326 WeakPolarHBondContact O-CB 3.44Å; F1322-I1326 WeakPolarHBondContact O-CG1 3.42Å; F1322-I1326 PolarHBondContact O-N 3.16Å; F1322-I1326 VanDerWaalsContact O-N 3.17Å
1323	S	52.4	Low	52.1	Low	50.8 Å²	50.8	96.1 Å²	96.1	36%	0.355	49%	0.493	S	S	.	.	H	α-helix	trans	-59.4	-47.2	175.8	169.5	0	0	0	0	111.7	I1319 L1320 Y1321 I1325 I1326 Y1327	I1319-S1323 VanDerWaalsContact O-CB 3.22Å; I1319-S1323 WeakPolarHBondContact O-CB 3.42Å; I1319-S1323 PolarHBondContact O-N 3.33Å; L1320-S1323 WeakPolarHBondContact O-CB 3.45Å; L1320-S1323 PolarHBondContact O-N 3.07Å; L1320-S1323 PolarHBondContact O-OG 3.11Å; Y1321-S1323 VanDerWaalsContact C-N 3.32Å; Y1321-S1323 PolarHBondContact O-N 2.97Å; S1323-I1325 VanDerWaalsContact C-N 3.35Å; S1323-I1325 PolarHBondContact O-N 2.92Å; S1323-I1326 PolarHBondContact O-N 2.9Å; S1323-I1326 VanDerWaalsContact O-N 3.14Å; S1323-Y1327 WeakPolarHBondContact O-CB 3.44Å; S1323-Y1327 WeakPolarHBondContact O-CD2 3.35Å; S1323-Y1327 PolarHBondContact O-N 3.19Å; S1323-Y1327 VanDerWaalsContact O-N 3.07Å
1324	T	54.1	Low	52.9	Low	63.8 Å²	63.8	95 Å²	95	39%	0.391	49%	0.487	S	S	.	.	H	α-helix	trans	-68.8	-38.1	-179.8	49.2	0	0	0	0	113	L1320 Y1321 F1322 I1326 Y1327 I1328	L1320-T1324 WeakPolarHBondContact O-CB 3.48Å; L1320-T1324 WeakPolarHBondContact O-CG2 3.41Å; L1320-T1324 PolarHBondContact O-N 3.21Å; L1320-T1324 VanDerWaalsContact O-N 3.08Å; L1320-T1324 PolarHBondContact O-OG1 3.2Å; Y1321-T1324 PolarHBondContact O-N 3.16Å; Y1321-T1324 PolarHBondContact O-OG1 3.05Å; Y1321-T1324 VanDerWaalsContact O-OG1 3.07Å; F1322-T1324 VanDerWaalsContact C-N 3.31Å; F1322-T1324 PolarHBondContact O-N 2.96Å; T1324-I1326 VanDerWaalsContact C-N 3.3Å; T1324-I1326 PolarHBondContact O-N 3.01Å; T1324-Y1327 PolarHBondContact O-N 3.12Å; T1324-I1328 VanDerWaalsContact O-CB 3.32Å; T1324-I1328 WeakPolarHBondContact O-CB 3.41Å; T1324-I1328 WeakPolarHBondContact O-CD1 3.35Å; T1324-I1328 VanDerWaalsContact O-CG1 3.31Å; T1324-I1328 WeakPolarHBondContact O-CG1 3.35Å; T1324-I1328 PolarHBondContact O-N 3.39Å; T1324-I1328 VanDerWaalsContact O-N 3.11Å
1325	I	60.6	Low	53.8	Low	87 Å²	87	93.6 Å²	93.6	45%	0.446	48%	0.482	S	S	.	.	H	α-helix	trans	-63.8	-33	175.9	-72.2	173.6	0	0	0	112.2	Y1321 F1322 S1323 P1329	Y1321-I1325 HydrophobicContact CD1-CD1 3.72Å; Y1321-I1325 HydrophobicContact CD1-CG1 4.47Å; Y1321-I1325 HydrophobicContact CD2-CD1 4.45Å; Y1321-I1325 HydrophobicContact CE1-CD1 3.6Å; Y1321-I1325 VanDerWaalsContact CE1-CD1 3.48Å; Y1321-I1325 HydrophobicContact CE1-CG1 4.47Å; Y1321-I1325 HydrophobicContact CE2-CD1 4.28Å; Y1321-I1325 HydrophobicContact CE2-CG1 4.5Å; Y1321-I1325 HydrophobicContact CG-CD1 4.39Å; Y1321-I1325 WeakPolarHBondContact O-CB 3.41Å; Y1321-I1325 VanDerWaalsContact O-CG1 3.26Å; Y1321-I1325 WeakPolarHBondContact O-CG1 3.35Å; Y1321-I1325 PolarHBondContact O-N 3.03Å; Y1321-I1325 VanDerWaalsContact O-N 3.11Å; F1322-I1325 PolarHBondContact O-N 3.04Å; S1323-I1325 VanDerWaalsContact C-N 3.35Å; S1323-I1325 PolarHBondContact O-N 2.92Å; I1325-P1329 WeakPolarHBondContact O-CD 3.45Å; I1325-P1329 VanDerWaalsContact O-CG 3.29Å; I1325-P1329 WeakPolarHBondContact O-CG 3.37Å
1326	I	59.9	Low	54.5	Low	85.2 Å²	85.2	96.9 Å²	96.9	44%	0.437	49%	0.49	S	S	.	.	H	α-helix	trans	-83.6	-40.5	178.7	-65.9	171.2	0	0	0	111.8	F1322 S1323 T1324 F1330 L1652	F1322-I1326 HydrophobicContact CD1-CD1 4.13Å; F1322-I1326 WeakPolarHBondContact O-CB 3.44Å; F1322-I1326 WeakPolarHBondContact O-CG1 3.42Å; F1322-I1326 PolarHBondContact O-N 3.16Å; F1322-I1326 VanDerWaalsContact O-N 3.17Å; S1323-I1326 PolarHBondContact O-N 2.9Å; S1323-I1326 VanDerWaalsContact O-N 3.14Å; T1324-I1326 VanDerWaalsContact C-N 3.3Å; T1324-I1326 PolarHBondContact O-N 3.01Å; I1326-F1330 HydrophobicContact CG2-CD2 4.46Å; I1326-F1330 PolarHBondContact O-N 3.3Å; I1326-L1652 HydrophobicContact CD1-CD2 4.04Å
1327	Y	57.7	Low	55.3	Low	149.6 Å²	149.6	96.5 Å²	96.5	59%	0.587	49%	0.487	S	S	*	.	H	α-helix	trans	-71.9	-33	-177.4	-93.8	-85.9	0	0	0	114.1	S1323 T1324 F1330 L1331	S1323-Y1327 WeakPolarHBondContact O-CB 3.44Å; S1323-Y1327 WeakPolarHBondContact O-CD2 3.35Å; S1323-Y1327 PolarHBondContact O-N 3.19Å; S1323-Y1327 VanDerWaalsContact O-N 3.07Å; T1324-Y1327 PolarHBondContact O-N 3.12Å; Y1327-F1330 WeakPolarHBondContact O-CB 3.48Å; Y1327-F1330 PolarHBondContact O-N 3.23Å; Y1327-L1331 VanDerWaalsContact O-CB 3.31Å; Y1327-L1331 WeakPolarHBondContact O-CB 3.41Å; Y1327-L1331 WeakPolarHBondContact O-CG 3.36Å; Y1327-L1331 PolarHBondContact O-N 3.09Å
1328	I	59.1	Low	55.6	Low	84.4 Å²	84.4	96.8 Å²	96.8	43%	0.433	48%	0.484	S	S	.	.	H	α-helix	trans	-64.4	-50.1	-177.2	-70.3	167.1	0	0	0	112.1	T1324 F1330 L1331 I1332	T1324-I1328 VanDerWaalsContact O-CB 3.32Å; T1324-I1328 WeakPolarHBondContact O-CB 3.41Å; T1324-I1328 WeakPolarHBondContact O-CD1 3.35Å; T1324-I1328 VanDerWaalsContact O-CG1 3.31Å; T1324-I1328 WeakPolarHBondContact O-CG1 3.35Å; T1324-I1328 PolarHBondContact O-N 3.39Å; T1324-I1328 VanDerWaalsContact O-N 3.11Å; I1328-F1330 VanDerWaalsContact C-N 3.31Å; I1328-F1330 PolarHBondContact O-N 3.04Å; I1328-L1331 PolarHBondContact O-N 3.08Å; I1328-I1332 HydrophobicContact CG2-CD1 3.87Å; I1328-I1332 VanDerWaalsContact O-CG1 3.27Å; I1328-I1332 WeakPolarHBondContact O-CG1 3.37Å; I1328-I1332 PolarHBondContact O-N 3.15Å; I1328-I1332 VanDerWaalsContact O-N 3.12Å
1329	P	58.4	Low	56.1	Low	74.4 Å²	74.4	96.5 Å²	96.5	48%	0.483	48%	0.481	S	S	.	.	H	α-helix	trans	-59.7	-37	173.2	-24.9	35	0	0	0	113.3	I1325 I1332 L1333	I1325-P1329 WeakPolarHBondContact O-CD 3.45Å; I1325-P1329 VanDerWaalsContact O-CG 3.29Å; I1325-P1329 WeakPolarHBondContact O-CG 3.37Å; P1329-I1332 PolarHBondContact O-N 3.13Å; P1329-L1333 WeakPolarHBondContact O-CB 3.33Å; P1329-L1333 PolarHBondContact O-N 3.27Å
1330	F	56.5	Low	56.2	Low	117.2 Å²	117.2	97.6 Å²	97.6	51%	0.514	49%	0.488	S	S	.	.	H	α-helix	trans	-66.3	-40.7	177.8	-116.1	-82.2	0	0	0	112.4	I1326 Y1327 I1328 L1333 F1334 L1644 L1648	I1326-F1330 HydrophobicContact CG2-CD2 4.46Å; I1326-F1330 PolarHBondContact O-N 3.3Å; Y1327-F1330 WeakPolarHBondContact O-CB 3.48Å; Y1327-F1330 PolarHBondContact O-N 3.23Å; I1328-F1330 VanDerWaalsContact C-N 3.31Å; I1328-F1330 PolarHBondContact O-N 3.04Å; F1330-L1333 PolarHBondContact O-N 3.28Å; F1330-F1334 VanDerWaalsContact O-CB 3.27Å; F1330-F1334 WeakPolarHBondContact O-CB 3.33Å; F1330-F1334 PolarHBondContact O-N 3.1Å; F1330-L1644 HydrophobicContact CE1-CD1 4.28Å; F1330-L1644 HydrophobicContact CE1-CD2 4.31Å; F1330-L1644 HydrophobicContact CE2-CD1 4.36Å; F1330-L1644 HydrophobicContact CE2-CD2 3.62Å; F1330-L1644 HydrophobicContact CE2-CG 3.94Å; F1330-L1644 HydrophobicContact CZ-CD1 4.42Å; F1330-L1644 HydrophobicContact CZ-CD2 3.39Å; F1330-L1644 HydrophobicContact CZ-CG 3.88Å; F1330-L1648 HydrophobicContact CE2-CD2 4.25Å
1331	L	57	Low	56.9	Low	108.8 Å²	108.8	97.1 Å²	97.1	57%	0.57	49%	0.488	S	S	*	.	H	α-helix	trans	-67.5	-37.2	174.6	-75	167.5	0	0	0	112.2	Y1327 I1328 G1335	Y1327-L1331 VanDerWaalsContact O-CB 3.31Å; Y1327-L1331 WeakPolarHBondContact O-CB 3.41Å; Y1327-L1331 WeakPolarHBondContact O-CG 3.36Å; Y1327-L1331 PolarHBondContact O-N 3.09Å; I1328-L1331 PolarHBondContact O-N 3.08Å; L1331-G1335 WeakPolarHBondContact O-CA 3.21Å; L1331-G1335 PolarHBondContact O-N 3.21Å
1332	I	62.6	Low	56.9	Low	92.6 Å²	92.6	93.8 Å²	93.8	48%	0.475	48%	0.479	S	S	.	.	H	α-helix	trans	-65.4	-45.4	174.3	-67.8	165.5	0	0	0	110.5	I1328 P1329 G1335 F1336	I1328-I1332 HydrophobicContact CG2-CD1 3.87Å; I1328-I1332 VanDerWaalsContact O-CG1 3.27Å; I1328-I1332 WeakPolarHBondContact O-CG1 3.37Å; I1328-I1332 PolarHBondContact O-N 3.15Å; I1328-I1332 VanDerWaalsContact O-N 3.12Å; P1329-I1332 PolarHBondContact O-N 3.13Å; I1332-G1335 PolarHBondContact O-N 3.23Å; I1332-F1336 HydrophobicContact CG2-CD2 4.31Å; I1332-F1336 HydrophobicContact CG2-CE2 4.44Å; I1332-F1336 WeakPolarHBondContact O-CB 3.17Å; I1332-F1336 PolarHBondContact O-N 3.14Å
1333	L	62.9	Low	57.2	Low	95.2 Å²	95.2	91.8 Å²	91.8	50%	0.498	48%	0.48	S	S	.	.	H	α-helix	trans	-64.5	-44.3	177.8	-174.8	66.9	0	0	0	111.8	P1329 F1330 G1335 F1336 I1337	P1329-L1333 WeakPolarHBondContact O-CB 3.33Å; P1329-L1333 PolarHBondContact O-N 3.27Å; F1330-L1333 PolarHBondContact O-N 3.28Å; L1333-G1335 VanDerWaalsContact C-N 3.33Å; L1333-G1335 PolarHBondContact O-N 3.06Å; L1333-F1336 WeakPolarHBondContact O-CB 3.16Å; L1333-F1336 PolarHBondContact O-N 3.24Å; L1333-I1337 HydrophobicContact CD1-CD1 4.41Å; L1333-I1337 HydrophobicContact CG-CD1 4.13Å; L1333-I1337 WeakPolarHBondContact O-CA 3.24Å; L1333-I1337 VanDerWaalsContact O-CG1 3.32Å; L1333-I1337 WeakPolarHBondContact O-CG1 3.38Å; L1333-I1337 PolarHBondContact O-N 3.23Å
1334	F	55.3	Low	57.2	Low	109.8 Å²	109.8	97.4 Å²	97.4	48%	0.482	49%	0.493	S	S	.	.	H	α-helix	trans	-64.3	-38.1	176.2	-169.3	-99	0	0	0	111.8	F1330 I1337 H1338 F1354	F1330-F1334 VanDerWaalsContact O-CB 3.27Å; F1330-F1334 WeakPolarHBondContact O-CB 3.33Å; F1330-F1334 PolarHBondContact O-N 3.1Å; F1334-I1337 WeakPolarHBondContact O-CA 3.35Å; F1334-I1337 PolarHBondContact O-N 3.19Å; F1334-H1338 AromaticContact CD1-CD2 3.88Å; F1334-H1338 AromaticContact CE1-CD2 3.43Å; F1334-H1338 VanDerWaalsContact CE1-CD2 3.44Å; F1334-H1338 WeakPolarHBondContact CE1-CD2 3.42Å; F1334-H1338 AromaticContact CE1-NE2 3.63Å; F1334-H1338 AromaticContact CE2-NE2 3.94Å; F1334-H1338 AromaticContact CZ-CD2 3.6Å; F1334-H1338 VanDerWaalsContact CZ-CD2 3.48Å; F1334-H1338 WeakPolarHBondContact CZ-CD2 3.4Å; F1334-H1338 AromaticContact CZ-NE2 3.45Å; F1334-H1338 VanDerWaalsContact CZ-NE2 3.26Å; F1334-H1338 WeakPolarHBondContact CZ-NE2 3.45Å; F1334-H1338 PolarHBondContact O-N 3.17Å; F1334-F1354 HydrophobicContact CE1-CE2 4.29Å; F1334-F1354 AromaticContact CE1-CZ 3.93Å; F1334-F1354 HydrophobicContact CE1-CZ 3.93Å
1335	G	57.9	Low	57.3	Low	32.8 Å²	32.8	97.8 Å²	97.8	34%	0.338	50%	0.499	S	S	.	.	H	α-helix	trans	-61.9	-44.9	171.2	0	0	0	0	0	112.7	L1331 I1332 L1333 H1338 L1339	L1331-G1335 WeakPolarHBondContact O-CA 3.21Å; L1331-G1335 PolarHBondContact O-N 3.21Å; I1332-G1335 PolarHBondContact O-N 3.23Å; L1333-G1335 VanDerWaalsContact C-N 3.33Å; L1333-G1335 PolarHBondContact O-N 3.06Å; G1335-H1338 PolarHBondContact O-N 3.07Å; G1335-L1339 WeakPolarHBondContact O-CB 3.36Å; G1335-L1339 WeakPolarHBondContact O-CD1 3.41Å; G1335-L1339 PolarHBondContact O-N 3.18Å
1336	F	58.7	Low	57.1	Low	120.6 Å²	120.6	98.5 Å²	98.5	53%	0.529	50%	0.503	S	S	.	.	H	α-helix	trans	-62.8	-43.4	175.2	-109.6	-86	0	0	0	112.6	I1332 L1333 H1338 L1339 L1340 V1399	I1332-F1336 HydrophobicContact CG2-CD2 4.31Å; I1332-F1336 HydrophobicContact CG2-CE2 4.44Å; I1332-F1336 WeakPolarHBondContact O-CB 3.17Å; I1332-F1336 PolarHBondContact O-N 3.14Å; L1333-F1336 WeakPolarHBondContact O-CB 3.16Å; L1333-F1336 PolarHBondContact O-N 3.24Å; F1336-H1338 VanDerWaalsContact C-N 3.34Å; F1336-H1338 PolarHBondContact O-N 3.19Å; F1336-L1339 WeakPolarHBondContact O-CB 3.39Å; F1336-L1339 PolarHBondContact O-N 3.11Å; F1336-L1340 WeakPolarHBondContact O-CG 3.34Å; F1336-L1340 PolarHBondContact O-N 3.01Å; F1336-L1340 VanDerWaalsContact O-N 3.13Å; F1336-V1399 HydrophobicContact CE2-CG2 4.38Å
1337	I	59.8	Low	56.9	Low	92.6 Å²	92.6	97.8 Å²	97.8	48%	0.475	50%	0.5	S	S	.	.	H	α-helix	trans	-52.9	-51.6	169.7	-58.9	161.8	0	0	0	111.6	L1333 F1334 L1339 L1340 V1341	L1333-I1337 HydrophobicContact CD1-CD1 4.41Å; L1333-I1337 HydrophobicContact CG-CD1 4.13Å; L1333-I1337 WeakPolarHBondContact O-CA 3.24Å; L1333-I1337 VanDerWaalsContact O-CG1 3.32Å; L1333-I1337 WeakPolarHBondContact O-CG1 3.38Å; L1333-I1337 PolarHBondContact O-N 3.23Å; F1334-I1337 WeakPolarHBondContact O-CA 3.35Å; F1334-I1337 PolarHBondContact O-N 3.19Å; I1337-L1339 VanDerWaalsContact C-N 3.33Å; I1337-L1339 PolarHBondContact O-N 3.06Å; I1337-L1340 PolarHBondContact O-N 3.13Å; I1337-V1341 VanDerWaalsContact O-CG2 3.28Å; I1337-V1341 WeakPolarHBondContact O-CG2 3.31Å; I1337-V1341 PolarHBondContact O-N 3.15Å
1338	H	53.2	Low	56.7	Low	86.6 Å²	86.6	95.3 Å²	95.3	40%	0.401	50%	0.496	S	S	.	.	H	α-helix	trans	-67.1	-33.1	176.3	-96.5	-82.2	0	0	0	113.5	F1334 G1335 F1336 L1340 V1341 M1342	F1334-H1338 AromaticContact CD1-CD2 3.88Å; F1334-H1338 AromaticContact CE1-CD2 3.43Å; F1334-H1338 VanDerWaalsContact CE1-CD2 3.44Å; F1334-H1338 WeakPolarHBondContact CE1-CD2 3.42Å; F1334-H1338 AromaticContact CE1-NE2 3.63Å; F1334-H1338 AromaticContact CE2-NE2 3.94Å; F1334-H1338 AromaticContact CZ-CD2 3.6Å; F1334-H1338 VanDerWaalsContact CZ-CD2 3.48Å; F1334-H1338 WeakPolarHBondContact CZ-CD2 3.4Å; F1334-H1338 AromaticContact CZ-NE2 3.45Å; F1334-H1338 VanDerWaalsContact CZ-NE2 3.26Å; F1334-H1338 WeakPolarHBondContact CZ-NE2 3.45Å; F1334-H1338 PolarHBondContact O-N 3.17Å; G1335-H1338 PolarHBondContact O-N 3.07Å; F1336-H1338 VanDerWaalsContact C-N 3.34Å; F1336-H1338 PolarHBondContact O-N 3.19Å; H1338-L1340 VanDerWaalsContact C-N 3.32Å; H1338-L1340 PolarHBondContact O-N 2.98Å; H1338-V1341 PolarHBondContact O-N 3.14Å; H1338-V1341 VanDerWaalsContact O-N 3.15Å; H1338-M1342 WeakPolarHBondContact O-CG 3.24Å; H1338-M1342 PolarHBondContact O-N 3.1Å
1339	L	54.4	Low	56.5	Low	80.8 Å²	80.8	97.3 Å²	97.3	42%	0.423	50%	0.502	S	S	.	.	H	α-helix	trans	-63.2	-32.7	176.1	-136.3	80.2	0	0	0	112.4	G1335 F1336 I1337 V1341 M1342 L1347 F1349 L1403	G1335-L1339 WeakPolarHBondContact O-CB 3.36Å; G1335-L1339 WeakPolarHBondContact O-CD1 3.41Å; G1335-L1339 PolarHBondContact O-N 3.18Å; F1336-L1339 WeakPolarHBondContact O-CB 3.39Å; F1336-L1339 PolarHBondContact O-N 3.11Å; I1337-L1339 VanDerWaalsContact C-N 3.33Å; I1337-L1339 PolarHBondContact O-N 3.06Å; L1339-V1341 VanDerWaalsContact C-N 3.29Å; L1339-V1341 PolarHBondContact O-N 3.04Å; L1339-M1342 PolarHBondContact O-N 3.41Å; L1339-M1342 VanDerWaalsContact O-N 3.17Å; L1339-L1347 HydrophobicContact CB-CD1 4.33Å; L1339-L1347 HydrophobicContact CD1-CD1 3.94Å; L1339-L1347 HydrophobicContact CD1-CD2 4.11Å; L1339-L1347 HydrophobicContact CD2-CD1 4.04Å; L1339-L1347 HydrophobicContact CG-CD1 4.13Å; L1339-F1349 HydrophobicContact CD1-CB 4.33Å; L1339-F1349 HydrophobicContact CD1-CD2 4.11Å; L1339-F1349 HydrophobicContact CD1-CG 4.28Å; L1339-L1403 HydrophobicContact CD2-CD2 4.24Å
1340	L	55.1	Low	56.5	Low	134.6 Å²	134.6	96.3 Å²	96.3	71%	0.705	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.5	179	-72.2	166.6	0	0	0	114	F1336 I1337 H1338	F1336-L1340 WeakPolarHBondContact O-CG 3.34Å; F1336-L1340 PolarHBondContact O-N 3.01Å; F1336-L1340 VanDerWaalsContact O-N 3.13Å; I1337-L1340 PolarHBondContact O-N 3.13Å; H1338-L1340 VanDerWaalsContact C-N 3.32Å; H1338-L1340 PolarHBondContact O-N 2.98Å
1341	V	59.2	Low	56.5	Low	89.6 Å²	89.6	92.2 Å²	92.2	54%	0.543	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-17.6	-171.5	175.7	0	0	0	0	113.5	I1337 H1338 L1339	I1337-V1341 VanDerWaalsContact O-CG2 3.28Å; I1337-V1341 WeakPolarHBondContact O-CG2 3.31Å; I1337-V1341 PolarHBondContact O-N 3.15Å; H1338-V1341 PolarHBondContact O-N 3.14Å; H1338-V1341 VanDerWaalsContact O-N 3.15Å; L1339-V1341 VanDerWaalsContact C-N 3.29Å; L1339-V1341 PolarHBondContact O-N 3.04Å
1342	M	50.7	Low	56.6	Low	75 Å²	75	90.1 Å²	90.1	37%	0.369	48%	0.476	S	S	.	.	S	Bend	trans	-110.2	131.3	-173	-82	-70.5	158.3	0	0	114.3	H1338 L1339 R1344 S1345 L1346 L1348 I1521	H1338-M1342 WeakPolarHBondContact O-CG 3.24Å; H1338-M1342 PolarHBondContact O-N 3.1Å; L1339-M1342 PolarHBondContact O-N 3.41Å; L1339-M1342 VanDerWaalsContact O-N 3.17Å; M1342-R1344 PolarHBondContact O-N 3.27Å; M1342-R1344 VanDerWaalsContact O-N 3.14Å; M1342-S1345 VanDerWaalsContact O-CB 3.23Å; M1342-S1345 WeakPolarHBondContact O-CB 3.5Å; M1342-S1345 PolarHBondContact O-N 3.16Å; M1342-S1345 PolarHBondContact O-OG 2.87Å; M1342-L1346 HydrophobicContact SD-CD1 4.08Å; M1342-L1346 HydrophobicContact SD-CD2 4.01Å; M1342-L1346 HydrophobicContact SD-CG 4.35Å; M1342-L1348 HydrophobicContact CB-CD1 4.47Å; M1342-I1521 HydrophobicContact CE-CD1 4.27Å
1343	P	56.7	Low	56.5	Low	95.8 Å²	95.8	88.4 Å²	88.4	62%	0.622	47%	0.473	S	S	*	.			trans	-72.1	104.4	179.2	29.7	-35	0	0	0	113.4	S1345 L1346 L1347	P1343-S1345 VanDerWaalsContact C-N 3.3Å; P1343-S1345 PolarHBondContact O-N 3.28Å; P1343-S1345 VanDerWaalsContact O-N 3.11Å; P1343-L1346 HydrophobicContact CG-CB 4.2Å; P1343-L1346 WeakPolarHBondContact O-CA 3.36Å; P1343-L1346 WeakPolarHBondContact O-CB 3.38Å; P1343-L1346 PolarHBondContact O-N 3.43Å; P1343-L1347 PolarHBondContact O-N 3.17Å
1344	R	51.2	Low	56.5	Low	168 Å²	168	90.7 Å²	90.7	63%	0.634	48%	0.479	S	S	*	.	H	α-helix	trans	-72.4	-10.2	-177.1	-100.9	179.3	164.3	130.5	-2.7	114.3	M1342 L1346 L1348 L1407	M1342-R1344 PolarHBondContact O-N 3.27Å; M1342-R1344 VanDerWaalsContact O-N 3.14Å; R1344-L1346 PolarHBondContact O-N 2.88Å; R1344-L1348 WeakPolarHBondContact O-CB 3.44Å; R1344-L1348 WeakPolarHBondContact O-CG 3.26Å; R1344-L1348 PolarHBondContact O-N 2.86Å; R1344-L1407 PolarHBondContact NH2-O 3Å
1345	S	56.4	Low	56.8	Low	73.6 Å²	73.6	87.4 Å²	87.4	52%	0.515	47%	0.472	S	S	.	.	H	α-helix	trans	-69.4	-30.7	-173.4	51.3	0	0	0	0	114.4	M1342 P1343 L1347 L1348 F1349	M1342-S1345 VanDerWaalsContact O-CB 3.23Å; M1342-S1345 WeakPolarHBondContact O-CB 3.5Å; M1342-S1345 PolarHBondContact O-N 3.16Å; M1342-S1345 PolarHBondContact O-OG 2.87Å; P1343-S1345 VanDerWaalsContact C-N 3.3Å; P1343-S1345 PolarHBondContact O-N 3.28Å; P1343-S1345 VanDerWaalsContact O-N 3.11Å; S1345-L1347 PolarHBondContact O-N 2.95Å; S1345-L1348 PolarHBondContact O-N 3.27Å; S1345-L1348 VanDerWaalsContact O-N 3.13Å; S1345-F1349 VanDerWaalsContact O-CB 3.24Å; S1345-F1349 WeakPolarHBondContact O-CB 3.41Å; S1345-F1349 PolarHBondContact O-N 3.18Å; S1345-F1349 VanDerWaalsContact O-N 3.07Å
1346	L	56.3	Low	57	Low	101.6 Å²	101.6	89.6 Å²	89.6	53%	0.532	48%	0.479	S	S	.	.	H	α-helix	trans	-71.8	-38	-175.5	-152.6	156.1	0	0	0	111.6	M1342 P1343 R1344 L1348 F1349 V1350	M1342-L1346 HydrophobicContact SD-CD1 4.08Å; M1342-L1346 HydrophobicContact SD-CD2 4.01Å; M1342-L1346 HydrophobicContact SD-CG 4.35Å; P1343-L1346 HydrophobicContact CG-CB 4.2Å; P1343-L1346 WeakPolarHBondContact O-CA 3.36Å; P1343-L1346 WeakPolarHBondContact O-CB 3.38Å; P1343-L1346 PolarHBondContact O-N 3.43Å; R1344-L1346 PolarHBondContact O-N 2.88Å; L1346-L1348 VanDerWaalsContact C-N 3.35Å; L1346-L1348 PolarHBondContact O-N 2.99Å; L1346-F1349 PolarHBondContact O-N 3.08Å; L1346-V1350 HydrophobicContact CD2-CG2 3.91Å; L1346-V1350 WeakPolarHBondContact O-CB 3.31Å; L1346-V1350 VanDerWaalsContact O-CG2 3.31Å; L1346-V1350 WeakPolarHBondContact O-CG2 3.4Å; L1346-V1350 PolarHBondContact O-N 3.2Å
1347	L	55.9	Low	57.3	Low	69.4 Å²	69.4	86.2 Å²	86.2	36%	0.363	47%	0.473	S	S	.	.	H	α-helix	trans	-62.7	-42.2	176.1	-156.9	80.3	0	0	0	112.2	L1339 P1343 S1345 F1349 V1350 A1351 L1403 L1407	L1339-L1347 HydrophobicContact CB-CD1 4.33Å; L1339-L1347 HydrophobicContact CD1-CD1 3.94Å; L1339-L1347 HydrophobicContact CD1-CD2 4.11Å; L1339-L1347 HydrophobicContact CD2-CD1 4.04Å; L1339-L1347 HydrophobicContact CG-CD1 4.13Å; P1343-L1347 PolarHBondContact O-N 3.17Å; S1345-L1347 PolarHBondContact O-N 2.95Å; L1347-F1349 PolarHBondContact O-N 2.6Å; L1347-V1350 PolarHBondContact O-N 3.14Å; L1347-A1351 WeakPolarHBondContact O-CB 3.28Å; L1347-A1351 PolarHBondContact O-N 3.14Å; L1347-L1403 HydrophobicContact CD2-CD2 4.26Å; L1347-L1407 HydrophobicContact CD2-CD1 3.84Å
1348	L	54.4	Low	57.5	Low	97.2 Å²	97.2	85.1 Å²	85.1	51%	0.509	46%	0.464	S	S	.	.	H	α-helix	trans	-64.5	-40.9	175.1	-88	164	0	0	0	112.3	M1342 R1344 S1345 L1346 A1351 S1352 N1404 L1407	M1342-L1348 HydrophobicContact CB-CD1 4.47Å; R1344-L1348 WeakPolarHBondContact O-CB 3.44Å; R1344-L1348 WeakPolarHBondContact O-CG 3.26Å; R1344-L1348 PolarHBondContact O-N 2.86Å; S1345-L1348 PolarHBondContact O-N 3.27Å; S1345-L1348 VanDerWaalsContact O-N 3.13Å; L1346-L1348 VanDerWaalsContact C-N 3.35Å; L1346-L1348 PolarHBondContact O-N 2.99Å; L1348-A1351 PolarHBondContact O-N 2.98Å; L1348-S1352 VanDerWaalsContact O-CB 3.25Å; L1348-S1352 WeakPolarHBondContact O-CB 3.42Å; L1348-S1352 PolarHBondContact O-N 3.08Å; L1348-S1352 PolarHBondContact O-OG 3.08Å; L1348-N1404 WeakPolarHBondContact CD2-OD1 3.45Å; L1348-L1407 HydrophobicContact CD2-CD1 4.4Å
1349	F	54	Low	58.2	Low	126.8 Å²	126.8	85.6 Å²	85.6	56%	0.556	47%	0.468	S	S	*	.	H	α-helix	trans	-63.7	-45.1	176.3	-170.2	-98.9	0	0	0	111.3	W548 L1339 S1345 L1346 L1347 A1351 S1352 S1353	W548-F1349 HydrophobicContact CD2-CZ 4.24Å; W548-F1349 AromaticContact CE2-CE2 3.64Å; W548-F1349 AromaticContact CE2-CZ 3.64Å; W548-F1349 HydrophobicContact CE3-CZ 4.47Å; W548-F1349 HydrophobicContact CH2-CD1 4.22Å; W548-F1349 HydrophobicContact CH2-CD2 4.25Å; W548-F1349 AromaticContact CH2-CE1 3.81Å; W548-F1349 HydrophobicContact CH2-CE1 3.81Å; W548-F1349 AromaticContact CH2-CE2 3.87Å; W548-F1349 HydrophobicContact CH2-CE2 3.87Å; W548-F1349 HydrophobicContact CH2-CG 4.43Å; W548-F1349 AromaticContact CH2-CZ 3.63Å; W548-F1349 HydrophobicContact CH2-CZ 3.63Å; W548-F1349 HydrophobicContact CZ2-CD1 4.48Å; W548-F1349 AromaticContact CZ2-CD2 3.76Å; W548-F1349 HydrophobicContact CZ2-CD2 3.76Å; W548-F1349 HydrophobicContact CZ2-CE1 4Å; W548-F1349 AromaticContact CZ2-CE2 3.2Å; W548-F1349 HydrophobicContact CZ2-CE2 3.2Å; W548-F1349 HydrophobicContact CZ2-CG 4.38Å; W548-F1349 AromaticContact CZ2-CZ 3.33Å; W548-F1349 HydrophobicContact CZ2-CZ 3.33Å; W548-F1349 HydrophobicContact CZ3-CE1 4.28Å; W548-F1349 HydrophobicContact CZ3-CZ 4.18Å; W548-F1349 AromaticContact NE1-CE2 3.92Å; L1339-F1349 HydrophobicContact CD1-CB 4.33Å; L1339-F1349 HydrophobicContact CD1-CD2 4.11Å; L1339-F1349 HydrophobicContact CD1-CG 4.28Å; S1345-F1349 VanDerWaalsContact O-CB 3.24Å; S1345-F1349 WeakPolarHBondContact O-CB 3.41Å; S1345-F1349 PolarHBondContact O-N 3.18Å; S1345-F1349 VanDerWaalsContact O-N 3.07Å; L1346-F1349 PolarHBondContact O-N 3.08Å; L1347-F1349 PolarHBondContact O-N 2.6Å; F1349-A1351 PolarHBondContact O-N 3.13Å; F1349-S1352 PolarHBondContact O-N 2.99Å; F1349-S1352 PolarHBondContact O-OG 3.22Å; F1349-S1353 VanDerWaalsContact O-CB 3.24Å; F1349-S1353 WeakPolarHBondContact O-CB 3.35Å; F1349-S1353 PolarHBondContact O-N 3.16Å; F1349-S1353 PolarHBondContact O-OG 3.4Å
1350	V	58.4	Low	58.6	Low	52.8 Å²	52.8	85.8 Å²	85.8	32%	0.32	47%	0.473	S	S	.	.	H	α-helix	trans	-61.9	-47.2	175.8	170	0	0	0	0	111.4	L1346 L1347 S1352 S1353 F1354	L1346-V1350 HydrophobicContact CD2-CG2 3.91Å; L1346-V1350 WeakPolarHBondContact O-CB 3.31Å; L1346-V1350 VanDerWaalsContact O-CG2 3.31Å; L1346-V1350 WeakPolarHBondContact O-CG2 3.4Å; L1346-V1350 PolarHBondContact O-N 3.2Å; L1347-V1350 PolarHBondContact O-N 3.14Å; V1350-S1352 PolarHBondContact O-N 3.3Å; V1350-S1353 WeakPolarHBondContact O-CB 3.32Å; V1350-S1353 PolarHBondContact O-N 3.18Å; V1350-S1353 VanDerWaalsContact O-N 3.15Å; V1350-F1354 HydrophobicContact CG1-CD2 3.68Å; V1350-F1354 HydrophobicContact CG1-CE2 3.69Å; V1350-F1354 VanDerWaalsContact O-CD2 3.29Å; V1350-F1354 WeakPolarHBondContact O-CD2 3.33Å; V1350-F1354 PolarHBondContact O-N 3.08Å
1351	A	57.3	Low	59.2	Low	32.8 Å²	32.8	84.2 Å²	84.2	27%	0.271	46%	0.464	S	S	.	.	H	α-helix	trans	-60.9	-42.8	177.2	0	0	0	0	0	112.4	L1347 L1348 F1349 S1353 F1354 A1355	L1347-A1351 WeakPolarHBondContact O-CB 3.28Å; L1347-A1351 PolarHBondContact O-N 3.14Å; L1348-A1351 PolarHBondContact O-N 2.98Å; F1349-A1351 PolarHBondContact O-N 3.13Å; A1351-S1353 VanDerWaalsContact C-N 3.33Å; A1351-S1353 PolarHBondContact O-N 2.93Å; A1351-F1354 PolarHBondContact O-N 3.4Å; A1351-A1355 VanDerWaalsContact O-CB 3.26Å; A1351-A1355 WeakPolarHBondContact O-CB 3.37Å; A1351-A1355 PolarHBondContact O-N 3.23Å
1352	S	58.7	Low	59.3	Low	63.6 Å²	63.6	82.7 Å²	82.7	45%	0.445	45%	0.452	S	S	.	.	H	α-helix	trans	-66.4	-34.8	175.9	116.6	0	0	0	0	112.7	L1348 F1349 V1350 T1356	L1348-S1352 VanDerWaalsContact O-CB 3.25Å; L1348-S1352 WeakPolarHBondContact O-CB 3.42Å; L1348-S1352 PolarHBondContact O-N 3.08Å; L1348-S1352 PolarHBondContact O-OG 3.08Å; F1349-S1352 PolarHBondContact O-N 2.99Å; F1349-S1352 PolarHBondContact O-OG 3.22Å; V1350-S1352 PolarHBondContact O-N 3.3Å; S1352-T1356 WeakPolarHBondContact O-CB 3.35Å; S1352-T1356 WeakPolarHBondContact O-CG2 3.3Å; S1352-T1356 PolarHBondContact O-N 2.95Å; S1352-T1356 PolarHBondContact O-OG1 2.99Å
1353	S	59.8	Low	59.8	Low	58 Å²	58	84.2 Å²	84.2	41%	0.406	46%	0.46	S	S	.	.	H	α-helix	trans	-69.1	-44.3	176.3	-156.8	0	0	0	0	111.4	F1349 V1350 A1351 A1355 T1356 A1357	F1349-S1353 VanDerWaalsContact O-CB 3.24Å; F1349-S1353 WeakPolarHBondContact O-CB 3.35Å; F1349-S1353 PolarHBondContact O-N 3.16Å; F1349-S1353 PolarHBondContact O-OG 3.4Å; V1350-S1353 WeakPolarHBondContact O-CB 3.32Å; V1350-S1353 PolarHBondContact O-N 3.18Å; V1350-S1353 VanDerWaalsContact O-N 3.15Å; A1351-S1353 VanDerWaalsContact C-N 3.33Å; A1351-S1353 PolarHBondContact O-N 2.93Å; S1353-A1355 PolarHBondContact O-N 3.19Å; S1353-T1356 WeakPolarHBondContact CA-OG1 3.39Å; S1353-T1356 PolarHBondContact O-N 3.17Å; S1353-T1356 PolarHBondContact O-OG1 3.07Å; S1353-T1356 VanDerWaalsContact O-OG1 3.09Å; S1353-A1357 VanDerWaalsContact O-CB 3.25Å; S1353-A1357 WeakPolarHBondContact O-CB 3.32Å; S1353-A1357 PolarHBondContact O-N 3.21Å
1354	F	62.5	Low	60.2	Low	143.4 Å²	143.4	82.5 Å²	82.5	63%	0.629	46%	0.455	S	S	*	.	H	α-helix	trans	-65.2	-40.6	174	-84.3	-69.2	0	0	0	112.6	F1334 V1350 A1351 A1357 Y1358	F1334-F1354 HydrophobicContact CE1-CE2 4.29Å; F1334-F1354 AromaticContact CE1-CZ 3.93Å; F1334-F1354 HydrophobicContact CE1-CZ 3.93Å; V1350-F1354 HydrophobicContact CG1-CD2 3.68Å; V1350-F1354 HydrophobicContact CG1-CE2 3.69Å; V1350-F1354 VanDerWaalsContact O-CD2 3.29Å; V1350-F1354 WeakPolarHBondContact O-CD2 3.33Å; V1350-F1354 PolarHBondContact O-N 3.08Å; A1351-F1354 PolarHBondContact O-N 3.4Å; F1354-A1357 PolarHBondContact O-N 2.99Å; F1354-Y1358 VanDerWaalsContact O-CB 3.25Å; F1354-Y1358 WeakPolarHBondContact O-CB 3.39Å; F1354-Y1358 PolarHBondContact O-N 3.03Å
1355	A	62	Low	60.8	Low	39.8 Å²	39.8	77.6 Å²	77.6	33%	0.329	44%	0.44	S	S	.	.	H	α-helix	trans	-63.7	-44.5	176.6	0	0	0	0	0	112.2	A1351 S1353 Y1358 I1359	A1351-A1355 VanDerWaalsContact O-CB 3.26Å; A1351-A1355 WeakPolarHBondContact O-CB 3.37Å; A1351-A1355 PolarHBondContact O-N 3.23Å; S1353-A1355 PolarHBondContact O-N 3.19Å; A1355-Y1358 PolarHBondContact O-N 3.28Å; A1355-I1359 WeakPolarHBondContact O-CB 3.4Å; A1355-I1359 WeakPolarHBondContact O-CD1 3.37Å; A1355-I1359 VanDerWaalsContact O-CG1 3.28Å; A1355-I1359 WeakPolarHBondContact O-CG1 3.4Å; A1355-I1359 PolarHBondContact O-N 3.09Å
1356	T	61.3	Low	60.9	Low	78.6 Å²	78.6	79.7 Å²	79.7	48%	0.482	45%	0.445	S	S	.	.	H	α-helix	trans	-69.9	-37.5	177.4	50.1	0	0	0	0	112.5	S1352 S1353 I1359 T1360	S1352-T1356 WeakPolarHBondContact O-CB 3.35Å; S1352-T1356 WeakPolarHBondContact O-CG2 3.3Å; S1352-T1356 PolarHBondContact O-N 2.95Å; S1352-T1356 PolarHBondContact O-OG1 2.99Å; S1353-T1356 WeakPolarHBondContact CA-OG1 3.39Å; S1353-T1356 PolarHBondContact O-N 3.17Å; S1353-T1356 PolarHBondContact O-OG1 3.07Å; S1353-T1356 VanDerWaalsContact O-OG1 3.09Å; T1356-I1359 PolarHBondContact O-N 3.26Å; T1356-T1360 WeakPolarHBondContact O-CB 3.3Å; T1356-T1360 WeakPolarHBondContact O-CG2 3.32Å; T1356-T1360 PolarHBondContact O-N 3.27Å; T1356-T1360 PolarHBondContact O-OG1 3.12Å; T1356-T1360 VanDerWaalsContact O-OG1 3.11Å
1357	A	65.2	Low	60.9	Low	49.8 Å²	49.8	76.8 Å²	76.8	41%	0.412	44%	0.44	S	S	.	.	H	α-helix	trans	-62.7	-41.2	171.5	0	0	0	0	0	112.2	S1353 F1354 T1360 L1361	S1353-A1357 VanDerWaalsContact O-CB 3.25Å; S1353-A1357 WeakPolarHBondContact O-CB 3.32Å; S1353-A1357 PolarHBondContact O-N 3.21Å; F1354-A1357 PolarHBondContact O-N 2.99Å; A1357-T1360 WeakPolarHBondContact CA-OG1 3.42Å; A1357-T1360 PolarHBondContact O-N 3Å; A1357-T1360 PolarHBondContact O-OG1 3.32Å; A1357-T1360 VanDerWaalsContact O-OG1 3.08Å; A1357-L1361 VanDerWaalsContact O-CB 3.24Å; A1357-L1361 WeakPolarHBondContact O-CB 3.37Å; A1357-L1361 PolarHBondContact O-N 3.19Å
1358	Y	65	Low	60.9	Low	70.2 Å²	70.2	75.6 Å²	75.6	28%	0.275	44%	0.441	S	S	.	.	H	α-helix	trans	-66.9	-43.5	176.9	-175.2	-101.3	0	0	0	112.2	F1354 A1355 L1361 Q1362 L1392 T1393 V1396	F1354-Y1358 VanDerWaalsContact O-CB 3.25Å; F1354-Y1358 WeakPolarHBondContact O-CB 3.39Å; F1354-Y1358 PolarHBondContact O-N 3.03Å; A1355-Y1358 PolarHBondContact O-N 3.28Å; Y1358-L1361 PolarHBondContact O-N 3.01Å; Y1358-Q1362 HydrophobicContact CD1-CG 4.29Å; Y1358-Q1362 HydrophobicContact CE1-CG 3.97Å; Y1358-Q1362 HydrophobicContact CE2-CG 4.36Å; Y1358-Q1362 VanDerWaalsContact O-CB 3.27Å; Y1358-Q1362 WeakPolarHBondContact O-CB 3.45Å; Y1358-Q1362 VanDerWaalsContact O-CG 3.32Å; Y1358-Q1362 WeakPolarHBondContact O-CG 3.37Å; Y1358-Q1362 PolarHBondContact O-N 3.09Å; Y1358-Q1362 PolarHBondContact OH-NE2 3.1Å; Y1358-Q1362 VanDerWaalsContact OH-NE2 3.09Å; Y1358-L1392 WeakPolarHBondContact OH-CD2 3.32Å; Y1358-T1393 HydrophobicContact CE1-CG2 4.45Å; Y1358-T1393 WeakPolarHBondContact OH-CG2 3.3Å; Y1358-V1396 HydrophobicContact CD1-CG1 4.18Å; Y1358-V1396 HydrophobicContact CD2-CB 4.38Å; Y1358-V1396 HydrophobicContact CD2-CG1 3.83Å; Y1358-V1396 HydrophobicContact CD2-CG2 4.21Å; Y1358-V1396 HydrophobicContact CE1-CG1 4.15Å; Y1358-V1396 HydrophobicContact CE1-CG2 4.41Å; Y1358-V1396 HydrophobicContact CE2-CB 4.01Å; Y1358-V1396 HydrophobicContact CE2-CG1 3.81Å; Y1358-V1396 HydrophobicContact CE2-CG2 4.05Å; Y1358-V1396 HydrophobicContact CG-CG1 3.95Å
1359	I	66.8	Low	60.8	Low	96.2 Å²	96.2	77.9 Å²	77.9	49%	0.493	45%	0.447	S	S	.	.	H	α-helix	trans	-65.4	-42.3	177	-69.1	165	0	0	0	111.1	A1355 T1356 Q1362 L1363	A1355-I1359 WeakPolarHBondContact O-CB 3.4Å; A1355-I1359 WeakPolarHBondContact O-CD1 3.37Å; A1355-I1359 VanDerWaalsContact O-CG1 3.28Å; A1355-I1359 WeakPolarHBondContact O-CG1 3.4Å; A1355-I1359 PolarHBondContact O-N 3.09Å; T1356-I1359 PolarHBondContact O-N 3.26Å; I1359-Q1362 PolarHBondContact O-N 3.24Å; I1359-L1363 HydrophobicContact CG2-CD1 4.03Å; I1359-L1363 HydrophobicContact CG2-CG 4.47Å; I1359-L1363 WeakPolarHBondContact O-CB 3.3Å; I1359-L1363 VanDerWaalsContact O-CG 3.29Å; I1359-L1363 WeakPolarHBondContact O-CG 3.42Å; I1359-L1363 PolarHBondContact O-N 3.28Å
1360	T	63	Low	60.4	Low	85.8 Å²	85.8	79.1 Å²	79.1	53%	0.526	45%	0.452	S	S	.	.	H	α-helix	trans	-68.1	-35.5	176.4	51.2	0	0	0	0	112.3	T1356 A1357 L1363 A1364	T1356-T1360 WeakPolarHBondContact O-CB 3.3Å; T1356-T1360 WeakPolarHBondContact O-CG2 3.32Å; T1356-T1360 PolarHBondContact O-N 3.27Å; T1356-T1360 PolarHBondContact O-OG1 3.12Å; T1356-T1360 VanDerWaalsContact O-OG1 3.11Å; A1357-T1360 WeakPolarHBondContact CA-OG1 3.42Å; A1357-T1360 PolarHBondContact O-N 3Å; A1357-T1360 PolarHBondContact O-OG1 3.32Å; A1357-T1360 VanDerWaalsContact O-OG1 3.08Å; T1360-L1363 PolarHBondContact O-N 2.88Å; T1360-A1364 VanDerWaalsContact O-CB 3.29Å; T1360-A1364 WeakPolarHBondContact O-CB 3.36Å; T1360-A1364 PolarHBondContact O-N 3.03Å
1361	L	69.1	Low	60	Low	99.6 Å²	99.6	87.1 Å²	87.1	52%	0.521	48%	0.476	S	S	.	.	H	α-helix	trans	-64.1	-45.8	172.1	-175.8	64.2	0	0	0	111.9	A1357 Y1358 L1363 A1364 I1365	A1357-L1361 VanDerWaalsContact O-CB 3.24Å; A1357-L1361 WeakPolarHBondContact O-CB 3.37Å; A1357-L1361 PolarHBondContact O-N 3.19Å; Y1358-L1361 PolarHBondContact O-N 3.01Å; L1361-L1363 PolarHBondContact O-N 3.12Å; L1361-A1364 PolarHBondContact O-N 3.13Å; L1361-I1365 HydrophobicContact CD1-CD1 4.15Å; L1361-I1365 HydrophobicContact CD1-CG1 4.43Å; L1361-I1365 HydrophobicContact CG-CD1 3.96Å; L1361-I1365 WeakPolarHBondContact O-CB 3.28Å; L1361-I1365 VanDerWaalsContact O-CG1 3.3Å; L1361-I1365 WeakPolarHBondContact O-CG1 3.41Å; L1361-I1365 PolarHBondContact O-N 3.19Å
1362	Q	60.5	Low	59.5	Low	59.6 Å²	59.6	92.6 Å²	92.6	28%	0.279	49%	0.494	S	S	.	.	H	α-helix	trans	-58.7	-46.1	174.3	-75.6	-88.7	-2.6	0	0	111.7	Y1358 I1359 A1364 I1365 L1366	Y1358-Q1362 HydrophobicContact CD1-CG 4.29Å; Y1358-Q1362 HydrophobicContact CE1-CG 3.97Å; Y1358-Q1362 HydrophobicContact CE2-CG 4.36Å; Y1358-Q1362 VanDerWaalsContact O-CB 3.27Å; Y1358-Q1362 WeakPolarHBondContact O-CB 3.45Å; Y1358-Q1362 VanDerWaalsContact O-CG 3.32Å; Y1358-Q1362 WeakPolarHBondContact O-CG 3.37Å; Y1358-Q1362 PolarHBondContact O-N 3.09Å; Y1358-Q1362 PolarHBondContact OH-NE2 3.1Å; Y1358-Q1362 VanDerWaalsContact OH-NE2 3.09Å; I1359-Q1362 PolarHBondContact O-N 3.24Å; Q1362-A1364 PolarHBondContact O-N 3.18Å; Q1362-I1365 PolarHBondContact O-N 3.1Å; Q1362-L1366 VanDerWaalsContact O-CB 3.23Å; Q1362-L1366 WeakPolarHBondContact O-CB 3.42Å; Q1362-L1366 PolarHBondContact O-N 3.09Å
1363	L	62	Low	58.7	Low	105.2 Å²	105.2	95.2 Å²	95.2	55%	0.551	51%	0.507	S	S	*	.	H	α-helix	trans	-66.2	-36	176.9	-70.8	171.2	0	0	0	112.7	I1359 T1360 L1361 L1366 G1367	I1359-L1363 HydrophobicContact CG2-CD1 4.03Å; I1359-L1363 HydrophobicContact CG2-CG 4.47Å; I1359-L1363 WeakPolarHBondContact O-CB 3.3Å; I1359-L1363 VanDerWaalsContact O-CG 3.29Å; I1359-L1363 WeakPolarHBondContact O-CG 3.42Å; I1359-L1363 PolarHBondContact O-N 3.28Å; T1360-L1363 PolarHBondContact O-N 2.88Å; L1361-L1363 PolarHBondContact O-N 3.12Å; L1363-L1366 PolarHBondContact O-N 3.02Å; L1363-G1367 PolarHBondContact O-N 3.28Å
1364	A	64.8	Low	57.8	Low	61 Å²	61	103.6 Å²	103.6	50%	0.504	53%	0.53	S	S	.	.	H	α-helix	trans	-67.1	-41	174.9	0	0	0	0	0	111.9	T1360 L1361 Q1362 G1367 A1368	T1360-A1364 VanDerWaalsContact O-CB 3.29Å; T1360-A1364 WeakPolarHBondContact O-CB 3.36Å; T1360-A1364 PolarHBondContact O-N 3.03Å; L1361-A1364 PolarHBondContact O-N 3.13Å; Q1362-A1364 PolarHBondContact O-N 3.18Å; A1364-G1367 PolarHBondContact O-N 3.09Å; A1364-A1368 WeakPolarHBondContact O-CB 3.42Å; A1364-A1368 PolarHBondContact O-N 3.2Å
1365	I	62.9	Low	56.7	Low	64 Å²	64	104.9 Å²	104.9	33%	0.328	54%	0.536	S	S	.	.	H	α-helix	trans	-66.1	-45.6	175.4	-70.2	168	0	0	0	110.5	L1361 Q1362 G1367 A1368 F1369 F1389	L1361-I1365 HydrophobicContact CD1-CD1 4.15Å; L1361-I1365 HydrophobicContact CD1-CG1 4.43Å; L1361-I1365 HydrophobicContact CG-CD1 3.96Å; L1361-I1365 WeakPolarHBondContact O-CB 3.28Å; L1361-I1365 VanDerWaalsContact O-CG1 3.3Å; L1361-I1365 WeakPolarHBondContact O-CG1 3.41Å; L1361-I1365 PolarHBondContact O-N 3.19Å; Q1362-I1365 PolarHBondContact O-N 3.1Å; I1365-G1367 VanDerWaalsContact C-N 3.31Å; I1365-G1367 PolarHBondContact O-N 3.14Å; I1365-A1368 WeakPolarHBondContact O-CB 3.31Å; I1365-A1368 PolarHBondContact O-N 3.17Å; I1365-A1368 VanDerWaalsContact O-N 3.12Å; I1365-F1369 HydrophobicContact CG2-CD2 3.74Å; I1365-F1369 HydrophobicContact CG2-CE2 3.58Å; I1365-F1369 VanDerWaalsContact O-CD2 3.26Å; I1365-F1369 WeakPolarHBondContact O-CD2 3.41Å; I1365-F1369 PolarHBondContact O-N 2.93Å; I1365-F1389 HydrophobicContact CD1-CE2 4.12Å; I1365-F1389 HydrophobicContact CD1-CZ 3.75Å; I1365-F1389 HydrophobicContact CG2-CZ 4.15Å
1366	L	57.9	Low	55.3	Low	117.4 Å²	117.4	110.8 Å²	110.8	62%	0.615	56%	0.562	S	S	*	*	H	α-helix	trans	-63	-38.4	176.3	-151.1	74.7	0	0	0	111.8	Q1362 L1363 F1369 K1370	Q1362-L1366 VanDerWaalsContact O-CB 3.23Å; Q1362-L1366 WeakPolarHBondContact O-CB 3.42Å; Q1362-L1366 PolarHBondContact O-N 3.09Å; L1363-L1366 PolarHBondContact O-N 3.02Å; L1366-F1369 PolarHBondContact O-N 3.02Å; L1366-K1370 VanDerWaalsContact O-CB 3.23Å; L1366-K1370 WeakPolarHBondContact O-CB 3.34Å; L1366-K1370 PolarHBondContact O-N 3.15Å
1367	G	56.4	Low	54.1	Low	41.2 Å²	41.2	113.3 Å²	113.3	43%	0.425	57%	0.572	S	S	.	*	H	α-helix	trans	-66.7	-34.6	172.5	0	0	0	0	0	113.6	L1363 A1364 I1365 K1370 R1371	L1363-G1367 PolarHBondContact O-N 3.28Å; A1364-G1367 PolarHBondContact O-N 3.09Å; I1365-G1367 VanDerWaalsContact C-N 3.31Å; I1365-G1367 PolarHBondContact O-N 3.14Å; G1367-K1370 WeakPolarHBondContact O-CB 3.44Å; G1367-K1370 PolarHBondContact O-N 3.19Å; G1367-R1371 PolarHBondContact O-N 2.95Å; G1367-R1371 VanDerWaalsContact O-N 3.14Å
1368	A	56.6	Low	52.7	Low	45.6 Å²	45.6	118.9 Å²	118.9	38%	0.377	59%	0.594	S	S	.	*	H	α-helix	trans	-68.3	-49.1	174.1	0	0	0	0	0	111.3	A1364 I1365 K1370 R1371 F1372	A1364-A1368 WeakPolarHBondContact O-CB 3.42Å; A1364-A1368 PolarHBondContact O-N 3.2Å; I1365-A1368 WeakPolarHBondContact O-CB 3.31Å; I1365-A1368 PolarHBondContact O-N 3.17Å; I1365-A1368 VanDerWaalsContact O-N 3.12Å; A1368-K1370 VanDerWaalsContact C-N 3.27Å; A1368-K1370 PolarHBondContact O-N 3.02Å; A1368-R1371 CarbonylContact O-C 3.58Å; A1368-R1371 WeakPolarHBondContact O-CA 3.42Å; A1368-R1371 VanDerWaalsContact O-CB 3.29Å; A1368-R1371 WeakPolarHBondContact O-CB 3.38Å; A1368-R1371 PolarHBondContact O-N 3.31Å; A1368-F1372 WeakPolarHBondContact O-CD2 3.27Å; A1368-F1372 PolarHBondContact O-N 3.32Å
1369	F	52.2	Low	51.3	Low	145.4 Å²	145.4	121.1 Å²	121.1	64%	0.638	62%	0.618	S	S	*	*	H	α-helix	trans	-56.4	-40.6	175	-82.1	-66.9	0	0	0	112.1	I1365 L1366 R1371 F1372 T1373	I1365-F1369 HydrophobicContact CG2-CD2 3.74Å; I1365-F1369 HydrophobicContact CG2-CE2 3.58Å; I1365-F1369 VanDerWaalsContact O-CD2 3.26Å; I1365-F1369 WeakPolarHBondContact O-CD2 3.41Å; I1365-F1369 PolarHBondContact O-N 2.93Å; L1366-F1369 PolarHBondContact O-N 3.02Å; F1369-R1371 PolarHBondContact O-N 3.05Å; F1369-F1372 PolarHBondContact O-N 3.18Å; F1369-F1372 VanDerWaalsContact O-N 3.12Å; F1369-T1373 PolarHBondContact O-N 3.46Å
1370	K	46.4	Very low	49.8	Very low	151.4 Å²	151.4	120.8 Å²	120.8	66%	0.658	62%	0.624	S	S	*	*	H	α-helix	trans	-67.3	-12.4	175.9	-156.6	174	-175.3	179.2	0	114.1	L1366 G1367 A1368 T1373 M1659	L1366-K1370 VanDerWaalsContact O-CB 3.23Å; L1366-K1370 WeakPolarHBondContact O-CB 3.34Å; L1366-K1370 PolarHBondContact O-N 3.15Å; G1367-K1370 WeakPolarHBondContact O-CB 3.44Å; G1367-K1370 PolarHBondContact O-N 3.19Å; A1368-K1370 VanDerWaalsContact C-N 3.27Å; A1368-K1370 PolarHBondContact O-N 3.02Å; K1370-T1373 VanDerWaalsContact O-CG2 3.32Å; K1370-T1373 WeakPolarHBondContact O-CG2 3.37Å; K1370-M1659 PolarHBondContact NZ-SD 3.01Å; K1370-M1659 VanDerWaalsContact NZ-SD 3.39Å
1371	R	48.7	Very low	48.7	Very low	220.2 Å²	220.2	123.1 Å²	123.1	83%	0.831	64%	0.638	S	S	*	*	H	α-helix	trans	-93.3	-16.9	174.5	-135.6	174.8	-175.3	170.3	1.1	113.4	G1367 A1368 F1369	G1367-R1371 PolarHBondContact O-N 2.95Å; G1367-R1371 VanDerWaalsContact O-N 3.14Å; A1368-R1371 CarbonylContact O-C 3.58Å; A1368-R1371 WeakPolarHBondContact O-CA 3.42Å; A1368-R1371 VanDerWaalsContact O-CB 3.29Å; A1368-R1371 WeakPolarHBondContact O-CB 3.38Å; A1368-R1371 PolarHBondContact O-N 3.31Å; F1369-R1371 PolarHBondContact O-N 3.05Å
1372	F	48.1	Very low	47.8	Very low	148.8 Å²	148.8	120.7 Å²	120.7	65%	0.653	63%	0.629	S	S	*	*			trans	-95.3	17	-178.4	-83.7	-77	0	0	0	114.2	A1368 F1369 R1374 F1375	A1368-F1372 WeakPolarHBondContact O-CD2 3.27Å; A1368-F1372 PolarHBondContact O-N 3.32Å; F1369-F1372 PolarHBondContact O-N 3.18Å; F1369-F1372 VanDerWaalsContact O-N 3.12Å; F1372-R1374 PolarHBondContact O-N 3.27Å; F1372-F1375 PolarHBondContact O-N 2.96Å
1373	T	41.4	Very low	47.3	Very low	118.2 Å²	118.2	122.5 Å²	122.5	73%	0.725	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	18.6	-179.9	50.8	0	0	0	0	115.6	F1369 K1370	F1369-T1373 PolarHBondContact O-N 3.46Å; K1370-T1373 VanDerWaalsContact O-CG2 3.32Å; K1370-T1373 WeakPolarHBondContact O-CG2 3.37Å
1374	R	41.4	Very low	46.8	Very low	233.6 Å²	233.6	121.8 Å²	121.8	88%	0.882	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-4.1	172.3	-78.7	-171.3	172.6	-172.9	-2.7	114.4	T1232 F1372	T1232-R1374 PolarHBondContact OG1-NH1 3.03Å; F1372-R1374 PolarHBondContact O-N 3.27Å
1375	F	38.6	Very low	46.3	Very low	170.4 Å²	170.4	123.3 Å²	123.3	75%	0.747	65%	0.645	S	S	*	*	S	Bend	trans	-102.3	117.5	172.3	-84.9	-86.6	0	0	0	111.4	F1372 L1377	F1372-F1375 PolarHBondContact O-N 2.96Å; F1375-L1377 PolarHBondContact O-N 3.04Å
1376	N	32.1	Very low	45.8	Very low	165.4 Å²	165.4	124.1 Å²	124.1	88%	0.884	66%	0.655	S	S	*	*			trans	-72.5	89.6	175	-99.9	-10.1	0	0	0	110.6	L1378	N1376-L1378 PolarHBondContact O-N 3.34Å
1377	L	37.5	Very low	45.7	Very low	129.8 Å²	129.8	121.1 Å²	121.1	68%	0.68	65%	0.647	S	S	*	*			trans	-115.9	82.7	177.5	-146.7	76.5	0	0	0	111.8	F1375 C1379 C1380	F1375-L1377 PolarHBondContact O-N 3.04Å; L1377-C1379 PolarHBondContact O-N 3.15Å; L1377-C1380 HydrophobicContact CD2-CB 4.09Å; L1377-C1380 VanDerWaalsContact CD2-SG 3.54Å; L1377-C1380 HydrophobicContact CG-CB 3.72Å; L1377-C1380 PolarHBondContact O-N 3.38Å
1378	L	36	Very low	45.9	Very low	167.2 Å²	167.2	124.1 Å²	124.1	88%	0.875	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	17.8	-168.1	-155.6	75.6	0	0	0	114.5	N1376	N1376-L1378 PolarHBondContact O-N 3.34Å
1379	C	34.8	Very low	45.9	Very low	117.4 Å²	117.4	126.7 Å²	126.7	79%	0.793	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.6	-4.3	-172.3	-76.5	0	0	0	0	116.5	L1377 T1381	L1377-C1379 PolarHBondContact O-N 3.15Å; C1379-T1381 VanDerWaalsContact C-N 3.3Å; C1379-T1381 PolarHBondContact O-N 3.23Å
1380	C	36.2	Very low	46.3	Very low	90.4 Å²	90.4	124.6 Å²	124.6	61%	0.611	65%	0.651	S	S	*	*			trans	-108.4	21.2	-172.5	-65.9	0	0	0	0	115.1	L1377 S1382 I1385	L1377-C1380 HydrophobicContact CD2-CB 4.09Å; L1377-C1380 VanDerWaalsContact CD2-SG 3.54Å; L1377-C1380 HydrophobicContact CG-CB 3.72Å; L1377-C1380 PolarHBondContact O-N 3.38Å; C1380-S1382 PolarHBondContact O-N 3.17Å; C1380-S1382 VanDerWaalsContact O-N 3.11Å; C1380-I1385 HydrophobicContact CB-CD1 4.45Å
1381	T	39.4	Very low	47.3	Very low	133.2 Å²	133.2	125.7 Å²	125.7	82%	0.817	65%	0.651	S	S	*	*			trans	-93.3	47.4	175.2	50.7	0	0	0	0	112.6	C1379	C1379-T1381 VanDerWaalsContact C-N 3.3Å; C1379-T1381 PolarHBondContact O-N 3.23Å
1382	S	49	Very low	48	Very low	48.6 Å²	48.6	118.7 Å²	118.7	34%	0.34	63%	0.63	S	S	.	*			trans	-71.7	129.2	171	103.1	0	0	0	0	110.3	C1380 T1384 I1385	C1380-S1382 PolarHBondContact O-N 3.17Å; C1380-S1382 VanDerWaalsContact O-N 3.11Å; S1382-T1384 WeakPolarHBondContact CB-OG1 3.4Å; S1382-T1384 PolarHBondContact O-N 3.1Å; S1382-T1384 VanDerWaalsContact O-N 3.12Å; S1382-T1384 PolarHBondContact OG-N 3.16Å; S1382-T1384 PolarHBondContact OG-OG1 3.14Å; S1382-T1384 VanDerWaalsContact OG-OG1 3.09Å; S1382-I1385 PolarHBondContact O-N 3.08Å; S1382-I1385 WeakPolarHBondContact OG-CG1 3.48Å
1383	P	50.6	Low	48.5	Very low	98.4 Å²	98.4	114.3 Å²	114.3	64%	0.639	62%	0.615	S	S	*	*	H	α-helix	trans	-63.4	-20.6	177.1	25.9	-34	0	0	0	112.4	I1385 C1386 A1387	P1383-I1385 VanDerWaalsContact C-N 3.31Å; P1383-I1385 PolarHBondContact O-N 3.28Å; P1383-C1386 PolarHBondContact O-N 3.3Å; P1383-A1387 VanDerWaalsContact O-CB 3.29Å; P1383-A1387 WeakPolarHBondContact O-CB 3.39Å; P1383-A1387 PolarHBondContact O-N 2.96Å
1384	T	51.4	Low	49.6	Very low	91 Å²	91	112.2 Å²	112.2	56%	0.558	60%	0.602	S	S	*	*	H	α-helix	trans	-60.2	-39.4	178	55.5	0	0	0	0	113.1	S1382 A1387 L1388	S1382-T1384 WeakPolarHBondContact CB-OG1 3.4Å; S1382-T1384 PolarHBondContact O-N 3.1Å; S1382-T1384 VanDerWaalsContact O-N 3.12Å; S1382-T1384 PolarHBondContact OG-N 3.16Å; S1382-T1384 PolarHBondContact OG-OG1 3.14Å; S1382-T1384 VanDerWaalsContact OG-OG1 3.09Å; T1384-A1387 PolarHBondContact O-N 3.13Å; T1384-L1388 VanDerWaalsContact O-CB 3.24Å; T1384-L1388 WeakPolarHBondContact O-CB 3.26Å; T1384-L1388 PolarHBondContact O-N 3.35Å
1385	I	55.3	Low	50.7	Low	92.6 Å²	92.6	104 Å²	104	48%	0.475	58%	0.575	S	S	.	*	H	α-helix	trans	-68.8	-42.9	180	-63.5	173.5	0	0	0	110.4	C1380 S1382 P1383 A1387 L1388 F1389	C1380-I1385 HydrophobicContact CB-CD1 4.45Å; S1382-I1385 PolarHBondContact O-N 3.08Å; S1382-I1385 WeakPolarHBondContact OG-CG1 3.48Å; P1383-I1385 VanDerWaalsContact C-N 3.31Å; P1383-I1385 PolarHBondContact O-N 3.28Å; I1385-A1387 VanDerWaalsContact C-N 3.35Å; I1385-A1387 PolarHBondContact O-N 3.32Å; I1385-L1388 WeakPolarHBondContact O-CB 3.31Å; I1385-L1388 PolarHBondContact O-N 3.14Å; I1385-F1389 HydrophobicContact CG2-CD2 3.99Å; I1385-F1389 HydrophobicContact CG2-CE2 3.99Å; I1385-F1389 WeakPolarHBondContact O-CB 2.93Å; I1385-F1389 VanDerWaalsContact O-CD2 3.31Å; I1385-F1389 WeakPolarHBondContact O-CD2 3.36Å; I1385-F1389 PolarHBondContact O-N 3.1Å
1386	C	51.2	Low	51.8	Low	79.6 Å²	79.6	98.3 Å²	98.3	54%	0.538	55%	0.554	S	S	.	*	H	α-helix	trans	-66.5	-39.6	177.4	-164.1	0	0	0	0	111.6	P1383 F1389 L1390	P1383-C1386 PolarHBondContact O-N 3.3Å; C1386-F1389 PolarHBondContact O-N 3.04Å; C1386-L1390 PolarHBondContact O-N 3.08Å; C1386-L1390 VanDerWaalsContact O-N 3.07Å
1387	A	56.8	Low	53	Low	54.6 Å²	54.6	92.9 Å²	92.9	45%	0.451	53%	0.532	S	S	.	.	H	α-helix	trans	-62.5	-41.9	172.3	0	0	0	0	0	112.2	P1383 T1384 I1385 F1389 L1390 W1391	P1383-A1387 VanDerWaalsContact O-CB 3.29Å; P1383-A1387 WeakPolarHBondContact O-CB 3.39Å; P1383-A1387 PolarHBondContact O-N 2.96Å; T1384-A1387 PolarHBondContact O-N 3.13Å; I1385-A1387 VanDerWaalsContact C-N 3.35Å; I1385-A1387 PolarHBondContact O-N 3.32Å; A1387-F1389 VanDerWaalsContact C-N 3.27Å; A1387-F1389 PolarHBondContact O-N 3.08Å; A1387-L1390 PolarHBondContact O-N 3.02Å; A1387-W1391 WeakPolarHBondContact O-CB 3.35Å; A1387-W1391 PolarHBondContact O-N 3.18Å
1388	L	60.5	Low	54.1	Low	104.6 Å²	104.6	89.9 Å²	89.9	55%	0.548	52%	0.52	S	S	.	.	H	α-helix	trans	-62.6	-42.9	176.5	-127.1	166.8	0	0	0	111.7	T1384 I1385 L1390 W1391 L1392	T1384-L1388 VanDerWaalsContact O-CB 3.24Å; T1384-L1388 WeakPolarHBondContact O-CB 3.26Å; T1384-L1388 PolarHBondContact O-N 3.35Å; I1385-L1388 WeakPolarHBondContact O-CB 3.31Å; I1385-L1388 PolarHBondContact O-N 3.14Å; L1388-L1390 PolarHBondContact O-N 3.17Å; L1388-W1391 PolarHBondContact O-N 3.03Å; L1388-L1392 HydrophobicContact CD2-CD1 4.31Å; L1388-L1392 WeakPolarHBondContact O-CB 3.32Å; L1388-L1392 PolarHBondContact O-N 3.1Å
1389	F	56.8	Low	55.3	Low	99.6 Å²	99.6	85.1 Å²	85.1	44%	0.437	50%	0.497	S	S	.	.	H	α-helix	trans	-62.9	-43.8	174.6	-98	-78.1	0	0	0	112.3	I1365 I1385 C1386 A1387 W1391 L1392 T1393	I1365-F1389 HydrophobicContact CD1-CE2 4.12Å; I1365-F1389 HydrophobicContact CD1-CZ 3.75Å; I1365-F1389 HydrophobicContact CG2-CZ 4.15Å; I1385-F1389 HydrophobicContact CG2-CD2 3.99Å; I1385-F1389 HydrophobicContact CG2-CE2 3.99Å; I1385-F1389 WeakPolarHBondContact O-CB 2.93Å; I1385-F1389 VanDerWaalsContact O-CD2 3.31Å; I1385-F1389 WeakPolarHBondContact O-CD2 3.36Å; I1385-F1389 PolarHBondContact O-N 3.1Å; C1386-F1389 PolarHBondContact O-N 3.04Å; A1387-F1389 VanDerWaalsContact C-N 3.27Å; A1387-F1389 PolarHBondContact O-N 3.08Å; F1389-W1391 VanDerWaalsContact C-N 3.35Å; F1389-W1391 PolarHBondContact O-N 2.66Å; F1389-L1392 PolarHBondContact O-N 3.15Å; F1389-T1393 HydrophobicContact CD1-CG2 4.34Å; F1389-T1393 WeakPolarHBondContact O-CG2 3.37Å; F1389-T1393 PolarHBondContact O-N 3.08Å; F1389-T1393 PolarHBondContact O-OG1 2.96Å
1390	L	60.7	Low	56.4	Low	101 Å²	101	82 Å²	82	53%	0.529	48%	0.475	S	S	.	.	H	α-helix	trans	-59.9	-46.5	173.6	-85.1	166	0	0	0	111.6	C1386 A1387 L1388 L1392 T1393 V1394	C1386-L1390 PolarHBondContact O-N 3.08Å; C1386-L1390 VanDerWaalsContact O-N 3.07Å; A1387-L1390 PolarHBondContact O-N 3.02Å; L1388-L1390 PolarHBondContact O-N 3.17Å; L1390-L1392 VanDerWaalsContact C-N 3.32Å; L1390-L1392 PolarHBondContact O-N 3.04Å; L1390-T1393 PolarHBondContact O-N 3.1Å; L1390-T1393 VanDerWaalsContact O-N 3.14Å; L1390-T1393 PolarHBondContact O-OG1 3.12Å; L1390-V1394 WeakPolarHBondContact O-CG2 3.39Å; L1390-V1394 PolarHBondContact O-N 3.01Å
1391	W	66.8	Low	57.4	Low	176 Å²	176	81.3 Å²	81.3	67%	0.667	47%	0.468	S	S	*	.	H	α-helix	trans	-61.1	-41.1	177.8	-141.1	67.7	0	0	0	111.7	A1387 L1388 F1389 T1393 V1394 I1395	A1387-W1391 WeakPolarHBondContact O-CB 3.35Å; A1387-W1391 PolarHBondContact O-N 3.18Å; L1388-W1391 PolarHBondContact O-N 3.03Å; F1389-W1391 VanDerWaalsContact C-N 3.35Å; F1389-W1391 PolarHBondContact O-N 2.66Å; W1391-T1393 PolarHBondContact O-N 3.32Å; W1391-V1394 PolarHBondContact O-N 3.27Å; W1391-I1395 HydrophobicContact CD2-CD1 4.09Å; W1391-I1395 HydrophobicContact CE3-CD1 3.53Å; W1391-I1395 VanDerWaalsContact CE3-CD1 3.47Å; W1391-I1395 HydrophobicContact CE3-CG1 4.35Å; W1391-I1395 HydrophobicContact CH2-CD1 3.99Å; W1391-I1395 HydrophobicContact CZ2-CD1 4.34Å; W1391-I1395 HydrophobicContact CZ3-CD1 3.7Å; W1391-I1395 HydrophobicContact CZ3-CG1 4.45Å; W1391-I1395 WeakPolarHBondContact O-CG1 3.36Å; W1391-I1395 PolarHBondContact O-N 3.13Å
1392	L	63.2	Low	58.3	Low	72.6 Å²	72.6	78 Å²	78	38%	0.38	45%	0.45	S	S	.	.	H	α-helix	trans	-63.7	-40.5	175.1	-151	82.9	0	0	0	112	Y1358 L1388 F1389 L1390 V1394 I1395 V1396	Y1358-L1392 WeakPolarHBondContact OH-CD2 3.32Å; L1388-L1392 HydrophobicContact CD2-CD1 4.31Å; L1388-L1392 WeakPolarHBondContact O-CB 3.32Å; L1388-L1392 PolarHBondContact O-N 3.1Å; F1389-L1392 PolarHBondContact O-N 3.15Å; L1390-L1392 VanDerWaalsContact C-N 3.32Å; L1390-L1392 PolarHBondContact O-N 3.04Å; L1392-V1394 VanDerWaalsContact C-N 3.33Å; L1392-V1394 PolarHBondContact O-N 3.42Å; L1392-I1395 PolarHBondContact O-N 3.2Å; L1392-V1396 WeakPolarHBondContact O-CG2 3.31Å; L1392-V1396 PolarHBondContact O-N 3.05Å
1393	T	59.5	Low	58.6	Low	56.6 Å²	56.6	79.5 Å²	79.5	35%	0.347	45%	0.454	S	S	.	.	H	α-helix	trans	-66.5	-35.3	175.2	58.1	0	0	0	0	112.7	Y1358 F1389 L1390 W1391 V1396 A1397	Y1358-T1393 HydrophobicContact CE1-CG2 4.45Å; Y1358-T1393 WeakPolarHBondContact OH-CG2 3.3Å; F1389-T1393 HydrophobicContact CD1-CG2 4.34Å; F1389-T1393 WeakPolarHBondContact O-CG2 3.37Å; F1389-T1393 PolarHBondContact O-N 3.08Å; F1389-T1393 PolarHBondContact O-OG1 2.96Å; L1390-T1393 PolarHBondContact O-N 3.1Å; L1390-T1393 VanDerWaalsContact O-N 3.14Å; L1390-T1393 PolarHBondContact O-OG1 3.12Å; W1391-T1393 PolarHBondContact O-N 3.32Å; T1393-V1396 PolarHBondContact O-N 2.99Å; T1393-A1397 VanDerWaalsContact O-CB 3.27Å; T1393-A1397 WeakPolarHBondContact O-CB 3.32Å; T1393-A1397 PolarHBondContact O-N 3.18Å
1394	V	64	Low	58.8	Low	73.6 Å²	73.6	77.8 Å²	77.8	45%	0.446	44%	0.44	S	S	.	.	H	α-helix	trans	-67.6	-40.8	173.8	173.2	0	0	0	0	111.1	L1390 W1391 L1392 A1397 T1398	L1390-V1394 WeakPolarHBondContact O-CG2 3.39Å; L1390-V1394 PolarHBondContact O-N 3.01Å; W1391-V1394 PolarHBondContact O-N 3.27Å; L1392-V1394 VanDerWaalsContact C-N 3.33Å; L1392-V1394 PolarHBondContact O-N 3.42Å; V1394-A1397 PolarHBondContact O-N 3.07Å; V1394-T1398 HydrophobicContact CG1-CG2 4.38Å; V1394-T1398 WeakPolarHBondContact O-CB 3.37Å; V1394-T1398 VanDerWaalsContact O-CG2 3.32Å; V1394-T1398 WeakPolarHBondContact O-CG2 3.38Å; V1394-T1398 PolarHBondContact O-N 2.91Å; V1394-T1398 PolarHBondContact O-OG1 3.24Å
1395	I	63.4	Low	58.9	Low	60.8 Å²	60.8	78.5 Å²	78.5	31%	0.312	44%	0.438	S	S	.	.	H	α-helix	trans	-62.4	-48.4	174	-70	167.2	0	0	0	110.8	W1391 L1392 A1397 T1398 V1399	W1391-I1395 HydrophobicContact CD2-CD1 4.09Å; W1391-I1395 HydrophobicContact CE3-CD1 3.53Å; W1391-I1395 VanDerWaalsContact CE3-CD1 3.47Å; W1391-I1395 HydrophobicContact CE3-CG1 4.35Å; W1391-I1395 HydrophobicContact CH2-CD1 3.99Å; W1391-I1395 HydrophobicContact CZ2-CD1 4.34Å; W1391-I1395 HydrophobicContact CZ3-CD1 3.7Å; W1391-I1395 HydrophobicContact CZ3-CG1 4.45Å; W1391-I1395 WeakPolarHBondContact O-CG1 3.36Å; W1391-I1395 PolarHBondContact O-N 3.13Å; L1392-I1395 PolarHBondContact O-N 3.2Å; I1395-A1397 VanDerWaalsContact C-N 3.32Å; I1395-A1397 PolarHBondContact O-N 3.13Å; I1395-T1398 WeakPolarHBondContact CA-OG1 3.37Å; I1395-T1398 PolarHBondContact O-N 3.08Å; I1395-T1398 PolarHBondContact O-OG1 2.89Å; I1395-T1398 VanDerWaalsContact O-OG1 3.07Å; I1395-V1399 HydrophobicContact CG2-CG2 4.21Å; I1395-V1399 VanDerWaalsContact O-CB 3.24Å; I1395-V1399 WeakPolarHBondContact O-CB 3.41Å; I1395-V1399 VanDerWaalsContact O-CG2 3.27Å; I1395-V1399 WeakPolarHBondContact O-CG2 3.36Å; I1395-V1399 PolarHBondContact O-N 3.01Å
1396	V	62	Low	58.6	Low	52.2 Å²	52.2	81.9 Å²	81.9	32%	0.316	45%	0.449	S	S	.	.	H	α-helix	trans	-62.9	-40	178.7	172.5	0	0	0	0	111.3	Y1358 L1392 T1393 T1400	Y1358-V1396 HydrophobicContact CD1-CG1 4.18Å; Y1358-V1396 HydrophobicContact CD2-CB 4.38Å; Y1358-V1396 HydrophobicContact CD2-CG1 3.83Å; Y1358-V1396 HydrophobicContact CD2-CG2 4.21Å; Y1358-V1396 HydrophobicContact CE1-CG1 4.15Å; Y1358-V1396 HydrophobicContact CE1-CG2 4.41Å; Y1358-V1396 HydrophobicContact CE2-CB 4.01Å; Y1358-V1396 HydrophobicContact CE2-CG1 3.81Å; Y1358-V1396 HydrophobicContact CE2-CG2 4.05Å; Y1358-V1396 HydrophobicContact CG-CG1 3.95Å; L1392-V1396 WeakPolarHBondContact O-CG2 3.31Å; L1392-V1396 PolarHBondContact O-N 3.05Å; T1393-V1396 PolarHBondContact O-N 2.99Å; V1396-T1400 HydrophobicContact CG1-CG2 4.33Å; V1396-T1400 VanDerWaalsContact O-CB 3.29Å; V1396-T1400 WeakPolarHBondContact O-CB 3.36Å; V1396-T1400 WeakPolarHBondContact O-CG2 3.33Å; V1396-T1400 PolarHBondContact O-N 3.04Å; V1396-T1400 PolarHBondContact O-OG1 3.2Å
1397	A	58.7	Low	58.6	Low	51.2 Å²	51.2	82.6 Å²	82.6	42%	0.423	45%	0.447	S	S	.	.	H	α-helix	trans	-64.7	-46.9	175.9	0	0	0	0	0	112.3	T1393 V1394 I1395 T1400 T1401	T1393-A1397 VanDerWaalsContact O-CB 3.27Å; T1393-A1397 WeakPolarHBondContact O-CB 3.32Å; T1393-A1397 PolarHBondContact O-N 3.18Å; V1394-A1397 PolarHBondContact O-N 3.07Å; I1395-A1397 VanDerWaalsContact C-N 3.32Å; I1395-A1397 PolarHBondContact O-N 3.13Å; A1397-T1400 WeakPolarHBondContact CA-OG1 3.39Å; A1397-T1400 PolarHBondContact O-N 3.23Å; A1397-T1400 PolarHBondContact O-OG1 3.11Å; A1397-T1401 WeakPolarHBondContact O-CB 3.47Å; A1397-T1401 VanDerWaalsContact O-CG2 3.29Å; A1397-T1401 WeakPolarHBondContact O-CG2 3.38Å; A1397-T1401 PolarHBondContact O-N 3.13Å; A1397-T1401 PolarHBondContact O-OG1 3.15Å
1398	T	59.1	Low	58	Low	66.6 Å²	66.6	84.4 Å²	84.4	41%	0.409	46%	0.455	S	S	.	.	H	α-helix	trans	-67.5	-39.8	179.3	49.8	0	0	0	0	112.3	V1394 I1395 T1400 T1401 S1402	V1394-T1398 HydrophobicContact CG1-CG2 4.38Å; V1394-T1398 WeakPolarHBondContact O-CB 3.37Å; V1394-T1398 VanDerWaalsContact O-CG2 3.32Å; V1394-T1398 WeakPolarHBondContact O-CG2 3.38Å; V1394-T1398 PolarHBondContact O-N 2.91Å; V1394-T1398 PolarHBondContact O-OG1 3.24Å; I1395-T1398 WeakPolarHBondContact CA-OG1 3.37Å; I1395-T1398 PolarHBondContact O-N 3.08Å; I1395-T1398 PolarHBondContact O-OG1 2.89Å; I1395-T1398 VanDerWaalsContact O-OG1 3.07Å; T1398-T1400 VanDerWaalsContact C-N 3.33Å; T1398-T1400 PolarHBondContact O-N 3.19Å; T1398-T1401 WeakPolarHBondContact CA-OG1 3.39Å; T1398-T1401 PolarHBondContact O-N 3.11Å; T1398-T1401 VanDerWaalsContact O-N 3.15Å; T1398-T1401 PolarHBondContact O-OG1 3.3Å; T1398-S1402 VanDerWaalsContact O-CB 3.27Å; T1398-S1402 WeakPolarHBondContact O-CB 3.1Å; T1398-S1402 PolarHBondContact O-N 3.06Å; T1398-S1402 PolarHBondContact O-OG 3.22Å
1399	V	61.3	Low	57.1	Low	65.6 Å²	65.6	82.4 Å²	82.4	40%	0.398	45%	0.45	S	S	.	.	H	α-helix	trans	-64.4	-41.6	173.8	171.2	0	0	0	0	111.5	F1336 I1395 S1402 L1403	F1336-V1399 HydrophobicContact CE2-CG2 4.38Å; I1395-V1399 HydrophobicContact CG2-CG2 4.21Å; I1395-V1399 VanDerWaalsContact O-CB 3.24Å; I1395-V1399 WeakPolarHBondContact O-CB 3.41Å; I1395-V1399 VanDerWaalsContact O-CG2 3.27Å; I1395-V1399 WeakPolarHBondContact O-CG2 3.36Å; I1395-V1399 PolarHBondContact O-N 3.01Å; V1399-S1402 WeakPolarHBondContact CA-OG 3.33Å; V1399-S1402 PolarHBondContact O-N 3.1Å; V1399-S1402 PolarHBondContact O-OG 3Å; V1399-S1402 VanDerWaalsContact O-OG 3.04Å; V1399-L1403 HydrophobicContact CG1-CD1 3.95Å; V1399-L1403 WeakPolarHBondContact O-CB 3.44Å; V1399-L1403 WeakPolarHBondContact O-CG 3.34Å; V1399-L1403 PolarHBondContact O-N 3.18Å
1400	T	57.6	Low	56.3	Low	53.8 Å²	53.8	83 Å²	83	33%	0.33	46%	0.464	S	S	.	.	H	α-helix	trans	-68.3	-39.7	177	-16.7	0	0	0	0	112.1	V1396 A1397 T1398 L1403 N1404	V1396-T1400 HydrophobicContact CG1-CG2 4.33Å; V1396-T1400 VanDerWaalsContact O-CB 3.29Å; V1396-T1400 WeakPolarHBondContact O-CB 3.36Å; V1396-T1400 WeakPolarHBondContact O-CG2 3.33Å; V1396-T1400 PolarHBondContact O-N 3.04Å; V1396-T1400 PolarHBondContact O-OG1 3.2Å; A1397-T1400 WeakPolarHBondContact CA-OG1 3.39Å; A1397-T1400 PolarHBondContact O-N 3.23Å; A1397-T1400 PolarHBondContact O-OG1 3.11Å; T1398-T1400 VanDerWaalsContact C-N 3.33Å; T1398-T1400 PolarHBondContact O-N 3.19Å; T1400-L1403 PolarHBondContact O-N 2.95Å; T1400-N1404 WeakPolarHBondContact O-CB 3.4Å; T1400-N1404 PolarHBondContact O-N 3.2Å; T1400-N1404 PolarHBondContact O-ND2 3.14Å
1401	T	58	Low	55.2	Low	74.8 Å²	74.8	84.4 Å²	84.4	46%	0.459	47%	0.471	S	S	.	.	H	α-helix	trans	-69.5	-39.1	175.5	51.4	0	0	0	0	112.6	A1397 T1398 N1404 M1405	A1397-T1401 WeakPolarHBondContact O-CB 3.47Å; A1397-T1401 VanDerWaalsContact O-CG2 3.29Å; A1397-T1401 WeakPolarHBondContact O-CG2 3.38Å; A1397-T1401 PolarHBondContact O-N 3.13Å; A1397-T1401 PolarHBondContact O-OG1 3.15Å; T1398-T1401 WeakPolarHBondContact CA-OG1 3.39Å; T1398-T1401 PolarHBondContact O-N 3.11Å; T1398-T1401 VanDerWaalsContact O-N 3.15Å; T1398-T1401 PolarHBondContact O-OG1 3.3Å; T1401-N1404 PolarHBondContact O-N 3.16Å; T1401-M1405 WeakPolarHBondContact O-CB 3.46Å; T1401-M1405 VanDerWaalsContact O-CG 3.3Å; T1401-M1405 WeakPolarHBondContact O-CG 3.39Å; T1401-M1405 PolarHBondContact O-N 3.19Å
1402	S	59	Low	53.6	Low	65.2 Å²	65.2	82.8 Å²	82.8	46%	0.456	48%	0.475	S	S	.	.	H	α-helix	trans	-68.3	-37.2	175.5	59.5	0	0	0	0	112.5	T1398 V1399 M1405 F1406	T1398-S1402 VanDerWaalsContact O-CB 3.27Å; T1398-S1402 WeakPolarHBondContact O-CB 3.1Å; T1398-S1402 PolarHBondContact O-N 3.06Å; T1398-S1402 PolarHBondContact O-OG 3.22Å; V1399-S1402 WeakPolarHBondContact CA-OG 3.33Å; V1399-S1402 PolarHBondContact O-N 3.1Å; V1399-S1402 PolarHBondContact O-OG 3Å; V1399-S1402 VanDerWaalsContact O-OG 3.04Å; S1402-M1405 PolarHBondContact O-N 3.19Å; S1402-F1406 VanDerWaalsContact O-CB 3.3Å; S1402-F1406 WeakPolarHBondContact O-CB 3.27Å; S1402-F1406 PolarHBondContact O-N 3.21Å
1403	L	55.3	Low	52.2	Low	79.6 Å²	79.6	87.6 Å²	87.6	42%	0.417	50%	0.495	S	S	.	.	H	α-helix	trans	-63	-44.5	171.9	-82.3	165.7	0	0	0	111.9	L1339 L1347 V1399 T1400 M1405 F1406 L1407	L1339-L1403 HydrophobicContact CD2-CD2 4.24Å; L1347-L1403 HydrophobicContact CD2-CD2 4.26Å; V1399-L1403 HydrophobicContact CG1-CD1 3.95Å; V1399-L1403 WeakPolarHBondContact O-CB 3.44Å; V1399-L1403 WeakPolarHBondContact O-CG 3.34Å; V1399-L1403 PolarHBondContact O-N 3.18Å; T1400-L1403 PolarHBondContact O-N 2.95Å; L1403-M1405 VanDerWaalsContact C-N 3.3Å; L1403-M1405 PolarHBondContact O-N 3.06Å; L1403-F1406 PolarHBondContact O-N 3.12Å; L1403-L1407 VanDerWaalsContact O-CB 3.29Å; L1403-L1407 WeakPolarHBondContact O-CB 3.35Å; L1403-L1407 WeakPolarHBondContact O-CD1 3.4Å; L1403-L1407 VanDerWaalsContact O-CG 3.28Å; L1403-L1407 WeakPolarHBondContact O-CG 3.33Å; L1403-L1407 PolarHBondContact O-N 2.98Å
1404	N	54.2	Low	51	Low	62.8 Å²	62.8	90.6 Å²	90.6	34%	0.336	51%	0.514	S	S	.	.	H	α-helix	trans	-61.1	-39.6	174.1	-81	-17.1	0	0	0	112.1	L1348 T1400 T1401 F1406 L1407 C1408	L1348-N1404 WeakPolarHBondContact CD2-OD1 3.45Å; T1400-N1404 WeakPolarHBondContact O-CB 3.4Å; T1400-N1404 PolarHBondContact O-N 3.2Å; T1400-N1404 PolarHBondContact O-ND2 3.14Å; T1401-N1404 PolarHBondContact O-N 3.16Å; N1404-F1406 VanDerWaalsContact C-N 3.33Å; N1404-F1406 PolarHBondContact O-N 3.3Å; N1404-L1407 PolarHBondContact O-N 2.83Å; N1404-C1408 VanDerWaalsContact O-CB 3.28Å; N1404-C1408 WeakPolarHBondContact O-CB 3.42Å; N1404-C1408 PolarHBondContact O-N 3.15Å; N1404-C1408 VanDerWaalsContact O-N 3.11Å; N1404-C1408 PolarHBondContact O-SG 3.08Å; N1404-C1408 VanDerWaalsContact O-SG 3.36Å
1405	M	53.6	Low	49.5	Very low	104.6 Å²	104.6	93.8 Å²	93.8	52%	0.515	53%	0.528	S	S	.	.	H	α-helix	trans	-65.8	-40.7	175.4	-74.3	-71.2	-70.2	0	0	112.5	T1401 S1402 L1403 L1407 C1408 S1409 F1516 N1517 I1521 I1522	T1401-M1405 WeakPolarHBondContact O-CB 3.46Å; T1401-M1405 VanDerWaalsContact O-CG 3.3Å; T1401-M1405 WeakPolarHBondContact O-CG 3.39Å; T1401-M1405 PolarHBondContact O-N 3.19Å; S1402-M1405 PolarHBondContact O-N 3.19Å; L1403-M1405 VanDerWaalsContact C-N 3.3Å; L1403-M1405 PolarHBondContact O-N 3.06Å; M1405-L1407 PolarHBondContact O-N 3.27Å; M1405-C1408 PolarHBondContact O-N 3.03Å; M1405-S1409 PolarHBondContact O-N 3.09Å; M1405-F1516 HydrophobicContact CE-CD1 4.39Å; M1405-F1516 HydrophobicContact CE-CE1 3.44Å; M1405-F1516 VanDerWaalsContact CE-CE1 3.44Å; M1405-F1516 HydrophobicContact CE-CE2 4.4Å; M1405-F1516 HydrophobicContact CE-CZ 3.44Å; M1405-F1516 VanDerWaalsContact CE-CZ 3.44Å; M1405-F1516 HydrophobicContact SD-CE1 4.23Å; M1405-F1516 HydrophobicContact SD-CE2 4.16Å; M1405-F1516 HydrophobicContact SD-CZ 3.71Å; M1405-N1517 HydrophobicContact CE-CB 4.2Å; M1405-I1521 HydrophobicContact CE-CD1 3.85Å; M1405-I1521 HydrophobicContact CG-CD1 3.41Å; M1405-I1521 VanDerWaalsContact CG-CD1 3.41Å; M1405-I1521 HydrophobicContact SD-CD1 3.21Å; M1405-I1521 WeakPolarHBondContact SD-CD1 3.29Å; M1405-I1522 HydrophobicContact SD-CD1 4.29Å
1406	F	49.8	Very low	48	Very low	165.2 Å²	165.2	101.7 Å²	101.7	73%	0.725	56%	0.556	S	S	*	*	H	α-helix	trans	-69.1	-39.1	178.5	-147	-91.8	0	0	0	112.1	S1402 L1403 N1404 C1408 S1409	S1402-F1406 VanDerWaalsContact O-CB 3.3Å; S1402-F1406 WeakPolarHBondContact O-CB 3.27Å; S1402-F1406 PolarHBondContact O-N 3.21Å; L1403-F1406 PolarHBondContact O-N 3.12Å; N1404-F1406 VanDerWaalsContact C-N 3.33Å; N1404-F1406 PolarHBondContact O-N 3.3Å; F1406-C1408 VanDerWaalsContact C-N 3.3Å; F1406-C1408 PolarHBondContact O-N 3.16Å; F1406-S1409 VanDerWaalsContact O-CB 3.26Å; F1406-S1409 WeakPolarHBondContact O-CB 3.35Å; F1406-S1409 PolarHBondContact O-N 3.14Å; F1406-S1409 VanDerWaalsContact O-N 3.14Å; F1406-S1409 PolarHBondContact O-OG 3.14Å
1407	L	49.9	Very low	46.6	Very low	93.4 Å²	93.4	106.4 Å²	106.4	49%	0.489	58%	0.577	S	S	.	*	H	α-helix	trans	-74.2	-17.8	177.3	-70.2	166.9	0	0	0	113.7	R1344 L1347 L1348 L1403 N1404 M1405 S1409	R1344-L1407 PolarHBondContact NH2-O 3Å; L1347-L1407 HydrophobicContact CD2-CD1 3.84Å; L1348-L1407 HydrophobicContact CD2-CD1 4.4Å; L1403-L1407 VanDerWaalsContact O-CB 3.29Å; L1403-L1407 WeakPolarHBondContact O-CB 3.35Å; L1403-L1407 WeakPolarHBondContact O-CD1 3.4Å; L1403-L1407 VanDerWaalsContact O-CG 3.28Å; L1403-L1407 WeakPolarHBondContact O-CG 3.33Å; L1403-L1407 PolarHBondContact O-N 2.98Å; N1404-L1407 PolarHBondContact O-N 2.83Å; M1405-L1407 PolarHBondContact O-N 3.27Å; L1407-S1409 VanDerWaalsContact C-N 3.3Å; L1407-S1409 PolarHBondContact O-N 3.34Å
1408	C	45.3	Very low	45.3	Very low	92.2 Å²	92.2	109 Å²	109	62%	0.623	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-0.4	174.9	-74	0	0	0	0	114.2	N1404 M1405 F1406 R1541	N1404-C1408 VanDerWaalsContact O-CB 3.28Å; N1404-C1408 WeakPolarHBondContact O-CB 3.42Å; N1404-C1408 PolarHBondContact O-N 3.15Å; N1404-C1408 VanDerWaalsContact O-N 3.11Å; N1404-C1408 PolarHBondContact O-SG 3.08Å; N1404-C1408 VanDerWaalsContact O-SG 3.36Å; M1405-C1408 PolarHBondContact O-N 3.03Å; F1406-C1408 VanDerWaalsContact C-N 3.3Å; F1406-C1408 PolarHBondContact O-N 3.16Å; C1408-R1541 PolarHBondContact O-NH1 3.29Å
1409	S	41.8	Very low	44	Very low	63 Å²	63	114 Å²	114	44%	0.441	61%	0.611	S	S	.	*	S	Bend	trans	-72.1	137	171	149.8	0	0	0	0	110.7	M1405 F1406 L1407 I1411	M1405-S1409 PolarHBondContact O-N 3.09Å; F1406-S1409 VanDerWaalsContact O-CB 3.26Å; F1406-S1409 WeakPolarHBondContact O-CB 3.35Å; F1406-S1409 PolarHBondContact O-N 3.14Å; F1406-S1409 VanDerWaalsContact O-N 3.14Å; F1406-S1409 PolarHBondContact O-OG 3.14Å; L1407-S1409 VanDerWaalsContact C-N 3.3Å; L1407-S1409 PolarHBondContact O-N 3.34Å; S1409-I1411 VanDerWaalsContact C-N 3.28Å; S1409-I1411 PolarHBondContact O-N 3.15Å; S1409-I1411 VanDerWaalsContact O-N 3.14Å; S1409-I1411 VanDerWaalsContact OG-CD1 3.22Å; S1409-I1411 WeakPolarHBondContact OG-CD1 3.27Å
1410	P	39.6	Very low	42.6	Very low	111.6 Å²	111.6	116.2 Å²	116.2	73%	0.725	63%	0.627	S	S	*	*			trans	-72.1	100.6	-179.8	29.3	-34.2	0	0	0	111.1	N1412	P1410-N1412 VanDerWaalsContact C-N 3.32Å; P1410-N1412 PolarHBondContact O-N 3.03Å
1411	I	36.1	Very low	41.4	Very low	131.4 Å²	131.4	123.5 Å²	123.5	67%	0.674	65%	0.65	S	S	*	*			trans	-78	73.8	173.7	-63.1	172.5	0	0	0	109.3	S1409 V1414	S1409-I1411 VanDerWaalsContact C-N 3.28Å; S1409-I1411 PolarHBondContact O-N 3.15Å; S1409-I1411 VanDerWaalsContact O-N 3.14Å; S1409-I1411 VanDerWaalsContact OG-CD1 3.22Å; S1409-I1411 WeakPolarHBondContact OG-CD1 3.27Å; I1411-V1414 HydrophobicContact CG1-CG2 4.38Å; I1411-V1414 HydrophobicContact CG2-CB 4.24Å
1412	N	34.3	Very low	40	Very low	141 Å²	141	124.7 Å²	124.7	75%	0.754	66%	0.661	S	S	*	*			trans	-105.7	121.9	168.6	-85	-5.7	0	0	0	111.3	P1410 V1414	P1410-N1412 VanDerWaalsContact C-N 3.32Å; P1410-N1412 PolarHBondContact O-N 3.03Å; N1412-V1414 PolarHBondContact O-N 2.95Å
1413	E	33.6	Very low	38.6	Very low	173.6 Å²	173.6	130.6 Å²	130.6	81%	0.811	68%	0.675	S	S	*	*	S	Bend	trans	-90.4	47.6	169.7	-71.7	178.7	161.7	0	0	114.5	N1415 I1417	E1413-N1415 PolarHBondContact O-N 2.58Å; E1413-I1417 WeakPolarHBondContact O-CD1 3.43Å; E1413-I1417 VanDerWaalsContact O-CG1 3.31Å; E1413-I1417 WeakPolarHBondContact O-CG1 3.31Å
1414	V	33.8	Very low	37.3	Very low	121 Å²	121	132.9 Å²	132.9	73%	0.733	68%	0.682	S	S	*	*	S	Bend	trans	-127.4	91.1	174.6	-171.5	0	0	0	0	112	I1411 N1412 Y1416 I1417	I1411-V1414 HydrophobicContact CG1-CG2 4.38Å; I1411-V1414 HydrophobicContact CG2-CB 4.24Å; N1412-V1414 PolarHBondContact O-N 2.95Å; V1414-Y1416 PolarHBondContact O-N 3.22Å; V1414-Y1416 VanDerWaalsContact O-N 3.13Å; V1414-I1417 PolarHBondContact O-N 3.41Å
1415	N	32.1	Very low	36.2	Very low	139.2 Å²	139.2	135.2 Å²	135.2	74%	0.744	69%	0.694	S	S	*	*			trans	145.4	58.7	165.4	-86.5	-3.1	0	0	0	115.4	E1413	E1413-N1415 PolarHBondContact O-N 2.58Å
1416	Y	33	Very low	35.2	Very low	227.2 Å²	227.2	138.6 Å²	138.6	89%	0.891	71%	0.706	S	S	*	*			trans	-136.5	120.8	141.9	-102.6	-81	0	0	0	109.6	V1414	V1414-Y1416 PolarHBondContact O-N 3.22Å; V1414-Y1416 VanDerWaalsContact O-N 3.13Å
1417	I	32.4	Very low	34.3	Very low	151 Å²	151	136.4 Å²	136.4	77%	0.774	71%	0.706	S	S	*	*			trans	-133.3	96.3	-175.5	-56.8	175.6	0	0	0	110.1	E1413 V1414	E1413-I1417 WeakPolarHBondContact O-CD1 3.43Å; E1413-I1417 VanDerWaalsContact O-CG1 3.31Å; E1413-I1417 WeakPolarHBondContact O-CG1 3.31Å; V1414-I1417 PolarHBondContact O-N 3.41Å
1418	S	30.9	Very low	33.4	Very low	105.2 Å²	105.2	138.8 Å²	138.8	74%	0.736	72%	0.719	S	S	*	*			trans	167.5	101.4	172.5	69.3	0	0	0	0	113.4
1419	E	31.5	Very low	32.7	Very low	172.6 Å²	172.6	141.8 Å²	141.8	81%	0.807	73%	0.727	S	S	*	*				-152.3	147.5	128.3	-92.1	179.5	-175.1	0	0	111.7	Y1421	E1419-Y1421 HydrophobicContact CB-CD1 4.39Å; E1419-Y1421 HydrophobicContact CB-CD2 3.94Å; E1419-Y1421 HydrophobicContact CB-CE1 3.92Å; E1419-Y1421 HydrophobicContact CB-CE2 3.47Å; E1419-Y1421 VanDerWaalsContact CB-CE2 3.47Å; E1419-Y1421 HydrophobicContact CB-CG 4.39Å; E1419-Y1421 VanDerWaalsContact CB-CZ 3.44Å; E1419-Y1421 PolarHBondContact O-N 3Å; E1419-Y1421 PolarHBondContact OE1-OH 3.49Å; E1419-Y1421 WeakPolarHBondContact OE2-CE1 3.35Å; E1419-Y1421 PolarHBondContact OE2-OH 2.99Å
1420	P	31.9	Very low	32.2	Very low	111 Å²	111	143.8 Å²	143.8	72%	0.721	74%	0.739	S	S	*	*			trans	-99.7	153.2	-173.1	38.3	-33.5	0	0	0	113.4	S1422	P1420-S1422 PolarHBondContact O-N 3.42Å; P1420-S1422 VanDerWaalsContact O-N 3.08Å
1421	Y	33.1	Very low	31.6	Very low	208 Å²	208	148.2 Å²	148.2	82%	0.816	74%	0.743	S	S	*	*			trans	170.3	115.6	165.5	-73.5	-66	0	0	0	112.5	E1419 F1426	E1419-Y1421 HydrophobicContact CB-CD1 4.39Å; E1419-Y1421 HydrophobicContact CB-CD2 3.94Å; E1419-Y1421 HydrophobicContact CB-CE1 3.92Å; E1419-Y1421 HydrophobicContact CB-CE2 3.47Å; E1419-Y1421 VanDerWaalsContact CB-CE2 3.47Å; E1419-Y1421 HydrophobicContact CB-CG 4.39Å; E1419-Y1421 VanDerWaalsContact CB-CZ 3.44Å; E1419-Y1421 PolarHBondContact O-N 3Å; E1419-Y1421 PolarHBondContact OE1-OH 3.49Å; E1419-Y1421 WeakPolarHBondContact OE2-CE1 3.35Å; E1419-Y1421 PolarHBondContact OE2-OH 2.99Å; Y1421-F1426 HydrophobicContact CD2-CE2 4.16Å; Y1421-F1426 HydrophobicContact CG-CE2 4.47Å
1422	S	29.5	Very low	31.2	Very low	100.6 Å²	100.6	148.7 Å²	148.7	70%	0.703	74%	0.742	S	S	*	*				0.9	135.2	126.9	154.4	0	0	0	0	112.4	P1420 K1424 D1425	P1420-S1422 PolarHBondContact O-N 3.42Å; P1420-S1422 VanDerWaalsContact O-N 3.08Å; S1422-K1424 PolarHBondContact O-N 3.46Å; S1422-D1425 PolarHBondContact O-N 3.23Å
1423	Y	28.8	Very low	31	Very low	188.6 Å²	188.6	149.6 Å²	149.6	74%	0.74	74%	0.742	S	S	*	*				-142.9	151.4	94.7	-172.3	-117.4	0	0	0	110.4	F1482	Y1423-F1482 HydrophobicContact CD1-CE2 4.15Å; Y1423-F1482 AromaticContact CD1-CZ 3.75Å; Y1423-F1482 HydrophobicContact CD1-CZ 3.75Å; Y1423-F1482 HydrophobicContact CE1-CE1 4.15Å; Y1423-F1482 HydrophobicContact CE1-CE2 4.23Å; Y1423-F1482 AromaticContact CE1-CZ 3.42Å; Y1423-F1482 HydrophobicContact CE1-CZ 3.42Å; Y1423-F1482 VanDerWaalsContact CE1-CZ 3.42Å
1424	K	28.3	Very low	30.8	Very low	128.2 Å²	128.2	151 Å²	151	56%	0.557	74%	0.741	S	S	*	*			trans	-58	136.9	174.3	-73.8	174.9	-178.9	166.5	0	114.1	S1422 N1480 F1482 T1483	S1422-K1424 PolarHBondContact O-N 3.46Å; K1424-N1480 VanDerWaalsContact C-CG 3.45Å; K1424-N1480 WeakPolarHBondContact O-CB 3.19Å; K1424-N1480 PolarHBondContact O-ND2 3.32Å; K1424-N1480 PolarHBondContact O-OD1 3.32Å; K1424-F1482 HydrophobicContact CB-CD2 4.34Å; K1424-F1482 HydrophobicContact CB-CE2 4.01Å; K1424-F1482 HydrophobicContact CD-CD1 4.07Å; K1424-F1482 HydrophobicContact CD-CD2 3.87Å; K1424-F1482 HydrophobicContact CD-CE1 3.85Å; K1424-F1482 HydrophobicContact CD-CE2 3.62Å; K1424-F1482 HydrophobicContact CD-CG 4.09Å; K1424-F1482 HydrophobicContact CD-CZ 3.63Å; K1424-T1483 HydrophobicContact CD-CG2 4.46Å
1425	D	30.9	Very low	30.5	Very low	111.2 Å²	111.2	152.6 Å²	152.6	60%	0.595	74%	0.74	S	S	*	*			trans	-177	170.9	139.6	-81.6	-34.8	0	0	0	111.9	S1422 V1427 N1428 N1480 M1481 F1482	S1422-D1425 PolarHBondContact O-N 3.23Å; D1425-V1427 PolarHBondContact O-N 3.4Å; D1425-N1428 PolarHBondContact O-N 3.04Å; D1425-N1480 HydrophobicContact CB-CB 4.4Å; D1425-N1480 PolarHBondContact N-OD1 3.41Å; D1425-N1480 VanDerWaalsContact N-OD1 3.11Å; D1425-N1480 PolarHBondContact O-OD1 3.07Å; D1425-M1481 VanDerWaalsContact CB-O 3.25Å; D1425-M1481 WeakPolarHBondContact CB-O 3.4Å; D1425-M1481 VanDerWaalsContact CG-O 3.3Å; D1425-F1482 WeakPolarHBondContact OD2-CA 3.46Å; D1425-F1482 WeakPolarHBondContact OD2-CD2 3.48Å; D1425-F1482 VanDerWaalsContact OD2-CG 3.26Å; D1425-F1482 WeakPolarHBondContact OD2-CG 3.35Å; D1425-F1482 PolarHBondContact OD2-N 3.15Å
1426	F	32.1	Very low	30.2	Very low	176 Å²	176	154.2 Å²	154.2	77%	0.772	74%	0.741	S	S	*	*			trans	50.4	66.3	172.1	-82.8	-79.2	0	0	0	116	Y1421 L1478 M1481	Y1421-F1426 HydrophobicContact CD2-CE2 4.16Å; Y1421-F1426 HydrophobicContact CG-CE2 4.47Å; F1426-L1478 HydrophobicContact CD2-CB 4.2Å; F1426-L1478 HydrophobicContact CE2-CB 4.43Å; F1426-M1481 HydrophobicContact CD2-CB 4.44Å; F1426-M1481 HydrophobicContact CE2-CB 3.94Å; F1426-M1481 HydrophobicContact CZ-CB 4.47Å
1427	V	32.5	Very low	30	Very low	117.6 Å²	117.6	150.9 Å²	150.9	71%	0.713	73%	0.733	S	S	*	*			trans	-90.9	148.2	160.2	172.8	0	0	0	0	109.9	D1425	D1425-V1427 PolarHBondContact O-N 3.4Å
1428	N	29.6	Very low	29.8	Very low	144 Å²	144	147.7 Å²	147.7	77%	0.77	73%	0.725	S	S	*	*			trans	81.7	110.2	-176.5	-57.5	-36.2	0	0	0	115.7	D1425	D1425-N1428 PolarHBondContact O-N 3.04Å
1429	I	31.3	Very low	29.7	Very low	154.8 Å²	154.8	151.8 Å²	151.8	79%	0.794	73%	0.73	S	S	*	*				-146.3	142.5	98.7	-79.5	165.4	0	0	0	109.5
1430	P	31.1	Very low	29.6	Very low	106.8 Å²	106.8	149.6 Å²	149.6	69%	0.694	72%	0.723	S	S	*	*			trans	-101.2	177.5	-172.2	36.4	-30.5	0	0	0	114.9	E1432	P1430-E1432 PolarHBondContact O-N 3.22Å
1431	Y	27.2	Very low	29.6	Very low	202.8 Å²	202.8	150.3 Å²	150.3	80%	0.795	72%	0.721	S	S	*	*			trans	22.8	116.2	168.3	-103	-96.3	0	0	0	118.7
1432	E	27.9	Very low	29.3	Very low	143 Å²	143	147.4 Å²	147.4	67%	0.668	72%	0.72	S	S	*	*			trans	94.8	136.9	151.6	-86.5	-174.2	-165.6	0	0	117.4	P1430	P1430-E1432 PolarHBondContact O-N 3.22Å
1433	Q	28.9	Very low	29.4	Very low	159 Å²	159	150.3 Å²	150.3	74%	0.743	73%	0.727	S	S	*	*			trans	165.1	149.3	142.3	-104.6	167.8	28.3	0	0	115.3	Q1435	Q1433-Q1435 VanDerWaalsContact C-N 3.28Å; Q1433-Q1435 PolarHBondContact O-N 3Å
1434	Y	29.7	Very low	29.4	Very low	202.6 Å²	202.6	145.6 Å²	145.6	80%	0.795	72%	0.721	S	S	*	*			trans	-114.9	129.9	157.1	-88.4	-79.9	0	0	0	112.2
1435	Q	26.9	Very low	29.4	Very low	154.6 Å²	154.6	147 Å²	147	72%	0.722	73%	0.733	S	S	*	*			trans	-125.5	151.1	130.8	-102.5	178.8	-26.4	0	0	112.7	Q1433 H1437	Q1433-Q1435 VanDerWaalsContact C-N 3.28Å; Q1433-Q1435 PolarHBondContact O-N 3Å; Q1435-H1437 PolarHBondContact O-N 3.07Å
1436	F	26.5	Very low	29.3	Very low	173.6 Å²	173.6	146.9 Å²	146.9	76%	0.761	74%	0.741	S	S	*	*			trans	-101.3	143.2	130.7	-103	-128.1	0	0	0	110.8
1437	H	29.3	Very low	29.3	Very low	157 Å²	157	143.1 Å²	143.1	73%	0.727	74%	0.737	S	S	*	*				-159.4	140.6	92.6	-129.8	-79.4	0	0	0	113.4	Q1435 F1439	Q1435-H1437 PolarHBondContact O-N 3.07Å; H1437-F1439 HydrophobicContact CB-CD2 3.89Å; H1437-F1439 HydrophobicContact CB-CE2 4.47Å; H1437-F1439 AromaticContact CE1-CD2 3.96Å; H1437-F1439 AromaticContact CE1-CE2 3.75Å; H1437-F1439 AromaticContact ND1-CD2 3.71Å; H1437-F1439 AromaticContact ND1-CE2 3.99Å; H1437-F1439 PolarHBondContact O-N 2.98Å
1438	S	27.3	Very low	29.2	Very low	84.6 Å²	84.6	144.8 Å²	144.8	59%	0.592	74%	0.741	S	S	*	*			trans	-76.8	140	165.1	55.7	0	0	0	0	112.6	N1440	S1438-N1440 PolarHBondContact O-N 2.65Å
1439	F	29.7	Very low	29.2	Very low	190.8 Å²	190.8	145.3 Å²	145.3	84%	0.837	74%	0.743	S	S	*	*			trans	-139	137.3	140.9	-112.9	-81.7	0	0	0	110.4	H1437	H1437-F1439 HydrophobicContact CB-CD2 3.89Å; H1437-F1439 HydrophobicContact CB-CE2 4.47Å; H1437-F1439 AromaticContact CE1-CD2 3.96Å; H1437-F1439 AromaticContact CE1-CE2 3.75Å; H1437-F1439 AromaticContact ND1-CD2 3.71Å; H1437-F1439 AromaticContact ND1-CE2 3.99Å; H1437-F1439 PolarHBondContact O-N 2.98Å
1440	N	30.1	Very low	29.2	Very low	126.4 Å²	126.4	144.7 Å²	144.7	68%	0.676	74%	0.74	S	S	*	*			trans	-91.1	148.9	-163	-113.2	-2.5	0	0	0	113.4	S1438	S1438-N1440 PolarHBondContact O-N 2.65Å
1441	N	30.1	Very low	29	Very low	126.8 Å²	126.8	146.2 Å²	146.2	68%	0.678	74%	0.742	S	S	*	*			trans	76.8	123.4	147.3	-63.5	-22.3	0	0	0	117.2
1442	N	28.6	Very low	29.1	Very low	146 Å²	146	147.1 Å²	147.1	78%	0.781	75%	0.745	S	S	*	*			trans	77.8	110.5	135.3	-57.8	-24.8	0	0	0	117.8
1443	L	30	Very low	29.1	Very low	162.4 Å²	162.4	147 Å²	147	85%	0.85	75%	0.749	S	S	*	*				-165.4	139.6	107.1	-138.7	69.9	0	0	0	114.8	I1445	L1443-I1445 HydrophobicContact CD2-CD1 4.35Å; L1443-I1445 PolarHBondContact O-N 3.31Å
1444	S	29.2	Very low	29.1	Very low	90.4 Å²	90.4	148.5 Å²	148.5	63%	0.632	75%	0.754	S	S	*	*			trans	-80.5	122.2	174.6	54.9	0	0	0	0	115.5	S1446 S1447	S1444-S1446 PolarHBondContact O-N 3.14Å; S1444-S1447 PolarHBondContact O-OG 2.96Å
1445	I	29.5	Very low	29	Very low	156.4 Å²	156.4	148.2 Å²	148.2	80%	0.802	76%	0.756	S	S	*	*			trans	-63	78.3	148.1	-50.8	176.7	0	0	0	113.2	L1443 S1447	L1443-I1445 HydrophobicContact CD2-CD1 4.35Å; L1443-I1445 PolarHBondContact O-N 3.31Å; I1445-S1447 PolarHBondContact O-N 2.69Å; I1445-S1447 VanDerWaalsContact O-N 3.11Å
1446	S	28.6	Very low	29.1	Very low	108.6 Å²	108.6	143.8 Å²	143.8	76%	0.759	75%	0.753	S	S	*	*			trans	-139.2	58.4	154.7	13.5	0	0	0	0	114	S1444	S1444-S1446 PolarHBondContact O-N 3.14Å
1447	S	31.6	Very low	29.2	Very low	97.6 Å²	97.6	142.9 Å²	142.9	68%	0.683	76%	0.756	S	S	*	*			trans	-131.8	68.5	173.4	55.7	0	0	0	0	114	S1444 I1445	S1444-S1447 PolarHBondContact O-OG 2.96Å; I1445-S1447 PolarHBondContact O-N 2.69Å; I1445-S1447 VanDerWaalsContact O-N 3.11Å
1448	L	30.1	Very low	29.2	Very low	152.2 Å²	152.2	142.7 Å²	142.7	80%	0.797	76%	0.759	S	S	*	*			trans	-179.2	79.5	154.4	-95.5	147.9	0	0	0	113.4	I1450	L1448-I1450 HydrophobicContact CD2-CD1 4.42Å
1449	L	29.8	Very low	29.2	Very low	155.2 Å²	155.2	147.4 Å²	147.4	81%	0.813	77%	0.769	S	S	*	*				-114.2	87.9	123.4	-97.4	154.2	0	0	0	114
1450	I	30.5	Very low	29.1	Very low	142.6 Å²	142.6	145.5 Å²	145.5	73%	0.731	77%	0.767	S	S	*	*			trans	165.7	99	145.1	-59.2	170.2	0	0	0	111.6	L1448	L1448-I1450 HydrophobicContact CD2-CD1 4.42Å
1451	N	27.6	Very low	29	Very low	137.6 Å²	137.6	147.4 Å²	147.4	74%	0.736	77%	0.772	S	S	*	*			trans	163.6	90	157.1	-110.3	-10.6	0	0	0	115.6	N1453	N1451-N1453 PolarHBondContact O-N 3.33Å; N1451-N1453 WeakPolarHBondContact OD1-CB 3.34Å; N1451-N1453 PolarHBondContact OD1-ND2 3.23Å; N1451-N1453 VanDerWaalsContact OD1-ND2 3.1Å
1452	Y	28.7	Very low	29	Very low	222.2 Å²	222.2	145.8 Å²	145.8	87%	0.871	77%	0.771	S	S	*	*			trans	-134	109.6	142.5	-115.9	-83.7	0	0	0	109.3	F1454	Y1452-F1454 PolarHBondContact O-N 2.9Å
1453	N	29.4	Very low	28.9	Very low	140.6 Å²	140.6	144.1 Å²	144.1	75%	0.752	77%	0.77	S	S	*	*			trans	-102.5	124.8	169.5	-87.7	-44.6	0	0	0	112.8	N1451 K1455	N1451-N1453 PolarHBondContact O-N 3.33Å; N1451-N1453 WeakPolarHBondContact OD1-CB 3.34Å; N1451-N1453 PolarHBondContact OD1-ND2 3.23Å; N1451-N1453 VanDerWaalsContact OD1-ND2 3.1Å; N1453-K1455 PolarHBondContact O-N 3.34Å
1454	F	27.9	Very low	29	Very low	190.4 Å²	190.4	141.5 Å²	141.5	84%	0.835	76%	0.763	S	S	*	*			trans	-59.5	117.1	149.7	-132.1	-102.9	0	0	0	111.8	Y1452	Y1452-F1454 PolarHBondContact O-N 2.9Å
1455	K	28.5	Very low	28.9	Very low	195.6 Å²	195.6	145.9 Å²	145.9	85%	0.85	77%	0.773	S	S	*	*				164.9	109.5	129.3	-151.6	176.2	-173.7	178.7	0	112.5	N1453 N1457	N1453-K1455 PolarHBondContact O-N 3.34Å; K1455-N1457 PolarHBondContact O-N 3.44Å; K1455-N1457 VanDerWaalsContact O-N 3.11Å
1456	G	28.9	Very low	28.7	Very low	63.8 Å²	63.8	143.4 Å²	143.4	66%	0.658	77%	0.77	S	S	*	*			trans	161	108.5	163.5	0	0	0	0	0	112.5	I1458	G1456-I1458 PolarHBondContact O-N 2.89Å
1457	N	29.1	Very low	28.6	Very low	153.4 Å²	153.4	149.1 Å²	149.1	82%	0.82	78%	0.775	S	S	*	*			trans	-71.3	134	160.3	-71	-8.7	0	0	0	112.9	K1455 F1459	K1455-N1457 PolarHBondContact O-N 3.44Å; K1455-N1457 VanDerWaalsContact O-N 3.11Å; N1457-F1459 PolarHBondContact O-N 3.03Å
1458	I	28.6	Very low	28.4	Very low	153.2 Å²	153.2	150.5 Å²	150.5	79%	0.786	78%	0.779	S	S	*	*				-172.7	130.3	118.8	-69.3	161.1	0	0	0	112.2	G1456	G1456-I1458 PolarHBondContact O-N 2.89Å
1459	F	27.2	Very low	28.3	Very low	184 Å²	184	148.6 Å²	148.6	81%	0.807	78%	0.779	S	S	*	*			trans	109.8	119.7	158.1	-103.9	-101.5	0	0	0	117.2	N1457	N1457-F1459 PolarHBondContact O-N 3.03Å
1460	L	27.1	Very low	28.1	Very low	150.2 Å²	150.2	146.3 Å²	146.3	79%	0.786	78%	0.776	S	S	*	*			trans	-104.2	128.4	147.8	-90.6	142.1	0	0	0	111.1
1461	Q	28.6	Very low	28.2	Very low	165.6 Å²	165.6	144.9 Å²	144.9	77%	0.774	78%	0.776	S	S	*	*			trans	-168.6	130.3	145.9	-132.6	170.7	-35.3	0	0	111.7
1462	S	29.6	Very low	28.2	Very low	94.6 Å²	94.6	143.4 Å²	143.4	66%	0.662	78%	0.776	S	S	*	*			trans	61	128.8	141	53.5	0	0	0	0	117
1463	S	26.2	Very low	28.1	Very low	109.4 Å²	109.4	137.8 Å²	137.8	77%	0.765	77%	0.77	S	S	*	*				58.8	161.4	123.7	65.6	0	0	0	0	117.4
1464	P	33	Very low	28	Very low	108.8 Å²	108.8	136.3 Å²	136.3	71%	0.706	77%	0.77	S	S	*	*			cis	-130	178.6	-48.1	40.7	-25.8	0	0	0	115.4
1465	Q	27.5	Very low	28	Very low	181.4 Å²	181.4	132.3 Å²	132.3	85%	0.848	77%	0.765	S	S	*	*			trans	110.4	139.9	146	-80.4	173.7	-9.6	0	0	115
1466	S	24.9	Very low	27.9	Very low	104 Å²	104	127.7 Å²	127.7	73%	0.727	76%	0.758	S	S	*	*				164.3	153.5	71.3	60.3	0	0	0	0	112.6
1467	W	26.6	Very low	27.8	Very low	229.6 Å²	229.6	131.7 Å²	131.7	87%	0.87	76%	0.764	S	S	*	*			trans	2.7	127.7	171	-68.5	25.2	0	0	0	116.8
1468	T	26	Very low	27.7	Very low	125.2 Å²	125.2	131.1 Å²	131.1	77%	0.768	76%	0.76	S	S	*	*			trans	65.6	117.6	132.2	52.6	0	0	0	0	119
1469	S	28.6	Very low	27.7	Very low	112.6 Å²	112.6	133.1 Å²	133.1	79%	0.787	76%	0.759	S	S	*	*				179.4	138.9	84.4	49	0	0	0	0	115.4
1470	S	26.4	Very low	27.8	Very low	107.6 Å²	107.6	129.4 Å²	129.4	75%	0.752	75%	0.748	S	S	*	*			trans	-46.8	166.4	151.1	57.7	0	0	0	0	115.2
1471	P	32.3	Very low	27.8	Very low	114 Å²	114	129 Å²	129	74%	0.74	74%	0.743	S	S	*	*			cis	-141.2	-170.5	26	38	-18.4	0	0	0	116.3
1472	S	26.7	Very low	27.8	Very low	104.6 Å²	104.6	129.3 Å²	129.3	73%	0.731	74%	0.742	S	S	*	*			trans	53	138.3	161.4	61.5	0	0	0	0	119.5
1473	S	27.8	Very low	27.8	Very low	105.2 Å²	105.2	129.6 Å²	129.6	74%	0.736	74%	0.741	S	S	*	*				149.7	155.1	90.1	54.9	0	0	0	0	115.3
1474	S	26.4	Very low	28	Very low	109.8 Å²	109.8	131.7 Å²	131.7	77%	0.768	74%	0.743	S	S	*	*			trans	72	117.7	171.1	65.5	0	0	0	0	117.7
1475	S	27.5	Very low	27.7	Very low	104.8 Å²	104.8	131.6 Å²	131.6	73%	0.733	75%	0.745	S	S	*	*			trans	78.6	102.6	135.4	65	0	0	0	0	115.8
1476	S	26.8	Very low	28	Very low	99 Å²	99	128.3 Å²	128.3	69%	0.692	74%	0.739	S	S	*	*				110.2	133.6	114.4	65.9	0	0	0	0	115.8
1477	L	26.7	Very low	28.1	Very low	148.4 Å²	148.4	130.9 Å²	130.9	78%	0.777	74%	0.742	S	S	*	*				164.3	168.6	125	-104.1	167.7	0	0	0	113.7
1478	L	27.8	Very low	28.3	Very low	140.6 Å²	140.6	126 Å²	126	74%	0.736	73%	0.733	S	S	*	*			trans	109.3	114.1	167.9	-72.1	162.4	0	0	0	114.7	F1426	F1426-L1478 HydrophobicContact CD2-CB 4.2Å; F1426-L1478 HydrophobicContact CE2-CB 4.43Å
1479	Y	28.2	Very low	28.4	Very low	194.8 Å²	194.8	125.6 Å²	125.6	76%	0.764	73%	0.73	S	S	*	*				-167.2	108.7	58.9	-141.5	-97	0	0	0	115	M1481	Y1479-M1481 HydrophobicContact CD1-CG 3.77Å; Y1479-M1481 HydrophobicContact CE1-CG 4.14Å
1480	N	29.5	Very low	28.5	Very low	107.4 Å²	107.4	127 Å²	127	57%	0.574	73%	0.727	S	S	*	*			trans	-47.9	116.2	158.7	-67.1	-14.5	0	0	0	115	K1424 D1425	K1424-N1480 VanDerWaalsContact C-CG 3.45Å; K1424-N1480 WeakPolarHBondContact O-CB 3.19Å; K1424-N1480 PolarHBondContact O-ND2 3.32Å; K1424-N1480 PolarHBondContact O-OD1 3.32Å; D1425-N1480 HydrophobicContact CB-CB 4.4Å; D1425-N1480 PolarHBondContact N-OD1 3.41Å; D1425-N1480 VanDerWaalsContact N-OD1 3.11Å; D1425-N1480 PolarHBondContact O-OD1 3.07Å
1481	M	27.1	Very low	28.6	Very low	142.4 Å²	142.4	127.5 Å²	127.5	70%	0.701	73%	0.726	S	S	*	*				-154.4	118.8	104.2	-109	-174.1	-155.7	0	0	113.2	D1425 F1426 Y1479	D1425-M1481 VanDerWaalsContact CB-O 3.25Å; D1425-M1481 WeakPolarHBondContact CB-O 3.4Å; D1425-M1481 VanDerWaalsContact CG-O 3.3Å; F1426-M1481 HydrophobicContact CD2-CB 4.44Å; F1426-M1481 HydrophobicContact CE2-CB 3.94Å; F1426-M1481 HydrophobicContact CZ-CB 4.47Å; Y1479-M1481 HydrophobicContact CD1-CG 3.77Å; Y1479-M1481 HydrophobicContact CE1-CG 4.14Å
1482	F	28	Very low	28.5	Very low	170.4 Å²	170.4	128.7 Å²	128.7	75%	0.747	73%	0.726	S	S	*	*			trans	-111.1	127.9	164.7	-91.1	-87.9	0	0	0	114.4	Y1423 K1424 D1425	Y1423-F1482 HydrophobicContact CD1-CE2 4.15Å; Y1423-F1482 AromaticContact CD1-CZ 3.75Å; Y1423-F1482 HydrophobicContact CD1-CZ 3.75Å; Y1423-F1482 HydrophobicContact CE1-CE1 4.15Å; Y1423-F1482 HydrophobicContact CE1-CE2 4.23Å; Y1423-F1482 AromaticContact CE1-CZ 3.42Å; Y1423-F1482 HydrophobicContact CE1-CZ 3.42Å; Y1423-F1482 VanDerWaalsContact CE1-CZ 3.42Å; K1424-F1482 HydrophobicContact CB-CD2 4.34Å; K1424-F1482 HydrophobicContact CB-CE2 4.01Å; K1424-F1482 HydrophobicContact CD-CD1 4.07Å; K1424-F1482 HydrophobicContact CD-CD2 3.87Å; K1424-F1482 HydrophobicContact CD-CE1 3.85Å; K1424-F1482 HydrophobicContact CD-CE2 3.62Å; K1424-F1482 HydrophobicContact CD-CG 4.09Å; K1424-F1482 HydrophobicContact CD-CZ 3.63Å; D1425-F1482 WeakPolarHBondContact OD2-CA 3.46Å; D1425-F1482 WeakPolarHBondContact OD2-CD2 3.48Å; D1425-F1482 VanDerWaalsContact OD2-CG 3.26Å; D1425-F1482 WeakPolarHBondContact OD2-CG 3.35Å; D1425-F1482 PolarHBondContact OD2-N 3.15Å
1483	T	29.2	Very low	28.7	Very low	102.6 Å²	102.6	129.5 Å²	129.5	63%	0.629	73%	0.727	S	S	*	*			trans	120.9	126.6	142.8	48.4	0	0	0	0	117.9	K1424	K1424-T1483 HydrophobicContact CD-CG2 4.46Å
1484	N	29.9	Very low	28.7	Very low	152.8 Å²	152.8	129.4 Å²	129.4	82%	0.817	73%	0.726	S	S	*	*			trans	80.6	132.6	147.7	-67.2	-14.3	0	0	0	116.8
1485	S	28.2	Very low	28.8	Very low	106.4 Å²	106.4	128.9 Å²	128.9	74%	0.744	72%	0.723	S	S	*	*				-95.2	169.2	109.5	38.1	0	0	0	0	113.2
1486	P	33.2	Very low	28.8	Very low	112.6 Å²	112.6	131.1 Å²	131.1	73%	0.731	73%	0.725	S	S	*	*			cis	-119.5	168.4	16.1	38	-23.9	0	0	0	113.3
1487	M	28	Very low	28.8	Very low	157.8 Å²	157.8	131.3 Å²	131.3	78%	0.777	73%	0.726	S	S	*	*			trans	102.7	140.2	153.7	-107.1	139.5	168.4	0	0	116.4
1488	N	29.3	Very low	28.8	Very low	127.6 Å²	127.6	128.5 Å²	128.5	68%	0.682	72%	0.719	S	S	*	*			trans	75.6	138.7	147.5	-71	-1.1	0	0	0	116.6
1489	T	29.1	Very low	28.8	Very low	115.2 Å²	115.2	130.4 Å²	130.4	71%	0.707	72%	0.724	S	S	*	*			cis	-156.9	139.3	10.3	13.7	0	0	0	0	108.1
1490	I	29.7	Very low	28.8	Very low	142.6 Å²	142.6	125.6 Å²	125.6	73%	0.731	72%	0.719	S	S	*	*				37.6	124.4	128.6	-59.4	169.8	0	0	0	113.6
1491	T	30.1	Very low	28.7	Very low	118.8 Å²	118.8	127.2 Å²	127.2	73%	0.729	73%	0.728	S	S	*	*				-163.4	135.4	94.3	32.2	0	0	0	0	111.3
1492	N	28.9	Very low	28.8	Very low	139.8 Å²	139.8	128.5 Å²	128.5	75%	0.748	73%	0.732	S	S	*	*				16.2	131	123.5	-61.1	-19.6	0	0	0	112.4
1493	T	30.4	Very low	28.8	Very low	120.8 Å²	120.8	126.8 Å²	126.8	74%	0.741	73%	0.73	S	S	*	*				-173.6	137.7	61	32.2	0	0	0	0	112
1494	S	28.6	Very low	28.9	Very low	102.8 Å²	102.8	130 Å²	130	72%	0.719	74%	0.738	S	S	*	*				49.2	138.2	117.7	65.7	0	0	0	0	118.2
1495	S	27.5	Very low	28.9	Very low	99.8 Å²	99.8	129.1 Å²	129.1	70%	0.698	73%	0.733	S	S	*	*			cis	148	169.6	18.9	57.1	0	0	0	0	112.6
1496	I	28.4	Very low	29	Very low	149.8 Å²	149.8	133 Å²	133	77%	0.768	74%	0.737	S	S	*	*			trans	79.7	108.2	170.6	-66.2	163.9	0	0	0	112.7
1497	S	26.7	Very low	28.9	Very low	103.6 Å²	103.6	134.1 Å²	134.1	72%	0.724	74%	0.737	S	S	*	*				81.2	135.6	96	75.4	0	0	0	0	114.3
1498	S	27.2	Very low	28.9	Very low	90.6 Å²	90.6	138.5 Å²	138.5	63%	0.634	75%	0.745	S	S	*	*			cis	158	146.8	44.1	65.9	0	0	0	0	115.4
1499	H	27.7	Very low	29	Very low	178.8 Å²	178.8	135.4 Å²	135.4	83%	0.828	74%	0.743	S	S	*	*			trans	70	151.9	149.6	-74.8	-58.7	0	0	0	119.1
1500	S	28.5	Very low	29.3	Very low	94.8 Å²	94.8	140.2 Å²	140.2	66%	0.663	75%	0.75	S	S	*	*			cis	151.3	142	-29.1	54.5	0	0	0	0	113
1501	N	27.5	Very low	29.5	Very low	141.8 Å²	141.8	135.8 Å²	135.8	76%	0.758	74%	0.74	S	S	*	*				86.8	130.4	79.2	-94.1	-10.4	0	0	0	115.5
1502	Q	29.1	Very low	30	Very low	168.4 Å²	168.4	139.5 Å²	139.5	79%	0.787	74%	0.742	S	S	*	*			trans	106	115.7	133	-80.2	175	0.4	0	0	116.8
1503	N	27.7	Very low	30.6	Very low	135.2 Å²	135.2	139.6 Å²	139.6	72%	0.723	74%	0.737	S	S	*	*			trans	55.3	121.6	138.4	-79.3	-11.6	0	0	0	116.5
1504	H	30.5	Very low	31.3	Very low	169.4 Å²	169.4	136.8 Å²	136.8	78%	0.784	72%	0.723	S	S	*	*			trans	99	115.1	148	-85.2	-62.1	0	0	0	116.8
1505	N	29.8	Very low	32	Very low	133.6 Å²	133.6	138 Å²	138	71%	0.714	72%	0.715	S	S	*	*			trans	94.9	121.7	151.8	-76.7	-19.7	0	0	0	115.7	N1507	N1505-N1507 PolarHBondContact O-N 3.22Å
1506	F	30.4	Very low	33	Very low	189.6 Å²	189.6	138.1 Å²	138.1	83%	0.832	70%	0.704	S	S	*	*			trans	78.6	112.3	149.1	-82.1	-87.5	0	0	0	115.6
1507	N	30.9	Very low	34	Very low	135 Å²	135	134.8 Å²	134.8	72%	0.722	69%	0.687	S	S	*	*			trans	114.7	90.6	150.8	-77.9	-23.2	0	0	0	116.3	N1505 Y1510	N1505-N1507 PolarHBondContact O-N 3.22Å; N1507-Y1510 HydrophobicContact CB-CD2 4.42Å; N1507-Y1510 HydrophobicContact CB-CE2 3.76Å; N1507-Y1510 PolarHBondContact ND2-OH 3.16Å
1508	R	29.3	Very low	35.2	Very low	250 Å²	250	133 Å²	133	94%	0.943	67%	0.67	S	S	*	*			trans	-152.9	78.8	139.5	-93.3	177.6	-179.4	-173.1	0.6	112.7	Y1510	R1508-Y1510 VanDerWaalsContact C-N 3.27Å; R1508-Y1510 PolarHBondContact O-N 3.22Å
1509	G	31.7	Very low	36.5	Very low	63.8 Å²	63.8	133.6 Å²	133.6	66%	0.658	66%	0.662	S	S	*	*			trans	-134.3	2.8	179	0	0	0	0	0	116	G1511	G1509-G1511 PolarHBondContact O-N 2.91Å
1510	Y	34.3	Very low	37.8	Very low	216.2 Å²	216.2	129.2 Å²	129.2	85%	0.848	64%	0.641	S	S	*	*			trans	-104.9	48.9	-171.1	-70.5	-74.2	0	0	0	114.3	N1507 R1508	N1507-Y1510 HydrophobicContact CB-CD2 4.42Å; N1507-Y1510 HydrophobicContact CB-CE2 3.76Å; N1507-Y1510 PolarHBondContact ND2-OH 3.16Å; R1508-Y1510 VanDerWaalsContact C-N 3.27Å; R1508-Y1510 PolarHBondContact O-N 3.22Å
1511	G	35.4	Very low	39	Very low	50.2 Å²	50.2	128.4 Å²	128.4	52%	0.518	63%	0.628	S	S	.	*			trans	-112.3	-27.4	-178.5	0	0	0	0	0	116.2	G1509 H1513	G1509-G1511 PolarHBondContact O-N 2.91Å; G1511-H1513 VanDerWaalsContact C-N 3.33Å; G1511-H1513 PolarHBondContact O-N 3.16Å
1512	Y	39	Very low	40.5	Very low	194.6 Å²	194.6	125.6 Å²	125.6	76%	0.763	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-13.8	-166.8	-75.2	-79.5	0	0	0	115.9	S1514 F1516	Y1512-S1514 PolarHBondContact O-N 3.18Å; Y1512-F1516 WeakPolarHBondContact O-CD2 3.44Å
1513	H	41.6	Very low	42	Very low	143 Å²	143	121.3 Å²	121.3	66%	0.662	59%	0.594	S	S	*	*	H	α-helix	trans	-81.6	-16	-169.6	-131.2	-68.4	0	0	0	115.1	G1511 Q1623	G1511-H1513 VanDerWaalsContact C-N 3.33Å; G1511-H1513 PolarHBondContact O-N 3.16Å; H1513-Q1623 PolarHBondContact CE1-OE1 3.32Å; H1513-Q1623 PolarHBondContact NE2-NE2 2.94Å; H1513-Q1623 PolarHBondContact NE2-OE1 3.43Å
1514	S	45.7	Very low	43.3	Very low	62.2 Å²	62.2	116.1 Å²	116.1	44%	0.435	57%	0.573	S	S	.	*	H	α-helix	trans	-81.6	-47.9	176.4	166.3	0	0	0	0	112.2	Y1512 F1516 N1517 D1518	Y1512-S1514 PolarHBondContact O-N 3.18Å; S1514-F1516 VanDerWaalsContact C-N 3.28Å; S1514-F1516 PolarHBondContact O-N 3.15Å; S1514-F1516 VanDerWaalsContact O-N 3.12Å; S1514-N1517 WeakPolarHBondContact O-CB 3.41Å; S1514-N1517 PolarHBondContact O-N 3.1Å; S1514-N1517 VanDerWaalsContact O-N 3.1Å; S1514-D1518 PolarHBondContact O-N 3.12Å; S1514-D1518 VanDerWaalsContact O-N 3.09Å; S1514-D1518 VanDerWaalsContact O-OD2 3.13Å; S1514-D1518 PolarHBondContact OG-OD2 2.89Å; S1514-D1518 VanDerWaalsContact OG-OD2 3.07Å
1515	F	43.3	Very low	44.6	Very low	127 Å²	127	110.9 Å²	110.9	56%	0.557	56%	0.555	S	S	*	*	H	α-helix	trans	-53.8	-30.8	-175.9	-81.7	-82.8	0	0	0	114.2	D1518 H1519	F1515-D1518 PolarHBondContact O-N 3.17Å; F1515-H1519 WeakPolarHBondContact O-CB 3.49Å; F1515-H1519 PolarHBondContact O-CD2 2.97Å; F1515-H1519 PolarHBondContact O-N 3.2Å; F1515-H1519 VanDerWaalsContact O-N 3.07Å
1516	F	47.7	Very low	46.1	Very low	103.2 Å²	103.2	108.6 Å²	108.6	45%	0.453	54%	0.542	S	S	.	.	H	α-helix	trans	-64.6	-42.8	176.8	-98.2	-90.5	0	0	0	113.1	M1405 Y1512 S1514 D1518 H1519 F1520 N1598	M1405-F1516 HydrophobicContact CE-CD1 4.39Å; M1405-F1516 HydrophobicContact CE-CE1 3.44Å; M1405-F1516 VanDerWaalsContact CE-CE1 3.44Å; M1405-F1516 HydrophobicContact CE-CE2 4.4Å; M1405-F1516 HydrophobicContact CE-CZ 3.44Å; M1405-F1516 VanDerWaalsContact CE-CZ 3.44Å; M1405-F1516 HydrophobicContact SD-CE1 4.23Å; M1405-F1516 HydrophobicContact SD-CE2 4.16Å; M1405-F1516 HydrophobicContact SD-CZ 3.71Å; Y1512-F1516 WeakPolarHBondContact O-CD2 3.44Å; S1514-F1516 VanDerWaalsContact C-N 3.28Å; S1514-F1516 PolarHBondContact O-N 3.15Å; S1514-F1516 VanDerWaalsContact O-N 3.12Å; F1516-D1518 VanDerWaalsContact C-N 3.32Å; F1516-D1518 PolarHBondContact O-N 2.93Å; F1516-H1519 PolarHBondContact O-N 3.21Å; F1516-F1520 HydrophobicContact CD1-CE2 4.49Å; F1516-F1520 WeakPolarHBondContact O-CD2 3.41Å; F1516-F1520 PolarHBondContact O-N 3.26Å; F1516-F1520 VanDerWaalsContact O-N 3.12Å; F1516-N1598 HydrophobicContact CE1-CB 3.56Å; F1516-N1598 HydrophobicContact CZ-CB 3.66Å; F1516-N1598 WeakPolarHBondContact CZ-OD1 3.35Å
1517	N	51	Low	47.6	Very low	80.6 Å²	80.6	101.6 Å²	101.6	43%	0.431	52%	0.516	S	S	.	.	H	α-helix	trans	-67.6	-40.8	178.6	-73.2	-28.8	0	0	0	111.1	M1405 S1514 H1519 F1520 I1521	M1405-N1517 HydrophobicContact CE-CB 4.2Å; S1514-N1517 WeakPolarHBondContact O-CB 3.41Å; S1514-N1517 PolarHBondContact O-N 3.1Å; S1514-N1517 VanDerWaalsContact O-N 3.1Å; N1517-H1519 VanDerWaalsContact C-N 3.34Å; N1517-H1519 PolarHBondContact O-N 3.14Å; N1517-F1520 WeakPolarHBondContact O-CB 3.47Å; N1517-F1520 PolarHBondContact O-N 3.16Å; N1517-F1520 VanDerWaalsContact O-N 3.12Å; N1517-I1521 VanDerWaalsContact O-CG1 3.29Å; N1517-I1521 WeakPolarHBondContact O-CG1 3.31Å; N1517-I1521 PolarHBondContact O-N 3.15Å; N1517-I1521 VanDerWaalsContact O-N 3.1Å
1518	D	50.6	Low	48.9	Very low	65 Å²	65	99.1 Å²	99.1	35%	0.348	50%	0.502	S	S	.	.	H	α-helix	trans	-63.9	-41.5	-179.7	-58.6	-39.5	0	0	0	111.3	S1514 F1515 F1516 F1520 I1521 I1522	S1514-D1518 PolarHBondContact O-N 3.12Å; S1514-D1518 VanDerWaalsContact O-N 3.09Å; S1514-D1518 VanDerWaalsContact O-OD2 3.13Å; S1514-D1518 PolarHBondContact OG-OD2 2.89Å; S1514-D1518 VanDerWaalsContact OG-OD2 3.07Å; F1515-D1518 PolarHBondContact O-N 3.17Å; F1516-D1518 VanDerWaalsContact C-N 3.32Å; F1516-D1518 PolarHBondContact O-N 2.93Å; D1518-F1520 PolarHBondContact O-N 2.97Å; D1518-I1521 PolarHBondContact O-N 3.04Å; D1518-I1522 WeakPolarHBondContact O-CB 3.35Å; D1518-I1522 WeakPolarHBondContact O-CD1 3.4Å; D1518-I1522 VanDerWaalsContact O-CG1 3.23Å; D1518-I1522 WeakPolarHBondContact O-CG1 3.34Å; D1518-I1522 PolarHBondContact O-N 3.09Å; D1518-I1522 VanDerWaalsContact O-N 3.12Å
1519	H	54.4	Low	50.3	Low	102.8 Å²	102.8	91.4 Å²	91.4	48%	0.476	48%	0.478	S	S	.	.	H	α-helix	trans	-62.8	-41	173.8	-89.6	-49.8	0	0	0	113.5	F1515 F1516 N1517 I1521 I1522 I1523	F1515-H1519 WeakPolarHBondContact O-CB 3.49Å; F1515-H1519 PolarHBondContact O-CD2 2.97Å; F1515-H1519 PolarHBondContact O-N 3.2Å; F1515-H1519 VanDerWaalsContact O-N 3.07Å; F1516-H1519 PolarHBondContact O-N 3.21Å; N1517-H1519 VanDerWaalsContact C-N 3.34Å; N1517-H1519 PolarHBondContact O-N 3.14Å; H1519-I1521 VanDerWaalsContact C-N 3.33Å; H1519-I1521 PolarHBondContact O-N 3.12Å; H1519-I1522 PolarHBondContact O-N 3.28Å; H1519-I1523 WeakPolarHBondContact O-CB 3.46Å; H1519-I1523 WeakPolarHBondContact O-CD1 3.34Å; H1519-I1523 VanDerWaalsContact O-CG1 3.28Å; H1519-I1523 WeakPolarHBondContact O-CG1 3.37Å; H1519-I1523 PolarHBondContact O-N 3.11Å
1520	F	54.5	Low	51.9	Low	87.6 Å²	87.6	93.3 Å²	93.3	38%	0.384	47%	0.472	S	S	.	.	H	α-helix	trans	-64	-37.3	176.4	-93.7	-75.7	0	0	0	112.4	F1516 N1517 D1518 G1524 I1590 I1591 T1594 V1595	F1516-F1520 HydrophobicContact CD1-CE2 4.49Å; F1516-F1520 WeakPolarHBondContact O-CD2 3.41Å; F1516-F1520 PolarHBondContact O-N 3.26Å; F1516-F1520 VanDerWaalsContact O-N 3.12Å; N1517-F1520 WeakPolarHBondContact O-CB 3.47Å; N1517-F1520 PolarHBondContact O-N 3.16Å; N1517-F1520 VanDerWaalsContact O-N 3.12Å; D1518-F1520 PolarHBondContact O-N 2.97Å; F1520-G1524 PolarHBondContact O-N 3.22Å; F1520-I1590 HydrophobicContact CE1-CG2 4.09Å; F1520-I1591 HydrophobicContact CE1-CD1 4.47Å; F1520-I1591 HydrophobicContact CE1-CG1 4.28Å; F1520-I1591 HydrophobicContact CE1-CG2 4.33Å; F1520-I1591 HydrophobicContact CZ-CG2 4.45Å; F1520-T1594 HydrophobicContact CD1-CG2 4.34Å; F1520-T1594 HydrophobicContact CE1-CG2 3.35Å; F1520-T1594 WeakPolarHBondContact CE1-OG1 3.2Å; F1520-T1594 HydrophobicContact CE2-CG2 4.23Å; F1520-T1594 HydrophobicContact CZ-CG2 3.75Å; F1520-T1594 WeakPolarHBondContact CZ-OG1 3.34Å; F1520-V1595 HydrophobicContact CZ-CG2 4.42Å
1521	I	55.3	Low	53.1	Low	78.2 Å²	78.2	85.3 Å²	85.3	40%	0.401	45%	0.448	S	S	.	.	H	α-helix	trans	-68.9	-42.7	177.2	-68.3	166.8	0	0	0	111	M1342 M1405 N1517 D1518 H1519 I1523 G1524 C1525	M1342-I1521 HydrophobicContact CE-CD1 4.27Å; M1405-I1521 HydrophobicContact CE-CD1 3.85Å; M1405-I1521 HydrophobicContact CG-CD1 3.41Å; M1405-I1521 VanDerWaalsContact CG-CD1 3.41Å; M1405-I1521 HydrophobicContact SD-CD1 3.21Å; M1405-I1521 WeakPolarHBondContact SD-CD1 3.29Å; N1517-I1521 VanDerWaalsContact O-CG1 3.29Å; N1517-I1521 WeakPolarHBondContact O-CG1 3.31Å; N1517-I1521 PolarHBondContact O-N 3.15Å; 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 3.12Å; I1521-I1523 VanDerWaalsContact C-N 3.35Å; I1521-I1523 PolarHBondContact O-N 3.21Å; I1521-G1524 PolarHBondContact O-N 3.08Å; I1521-C1525 WeakPolarHBondContact O-CB 3.28Å; I1521-C1525 PolarHBondContact O-N 2.95Å; I1521-C1525 PolarHBondContact O-SG 3.17Å; I1521-C1525 VanDerWaalsContact O-SG 3.38Å
1522	I	58.3	Low	54.2	Low	81 Å²	81	86.1 Å²	86.1	42%	0.415	44%	0.443	S	S	.	.	H	α-helix	trans	-61.7	-44.9	177	-69.2	164.8	0	0	0	111.1	M1405 D1518 H1519 C1525 L1526	M1405-I1522 HydrophobicContact SD-CD1 4.29Å; D1518-I1522 WeakPolarHBondContact O-CB 3.35Å; D1518-I1522 WeakPolarHBondContact O-CD1 3.4Å; D1518-I1522 VanDerWaalsContact O-CG1 3.23Å; D1518-I1522 WeakPolarHBondContact O-CG1 3.34Å; D1518-I1522 PolarHBondContact O-N 3.09Å; D1518-I1522 VanDerWaalsContact O-N 3.12Å; H1519-I1522 PolarHBondContact O-N 3.28Å; I1522-C1525 PolarHBondContact O-N 3.11Å; I1522-L1526 HydrophobicContact CG2-CD1 4.03Å; I1522-L1526 WeakPolarHBondContact O-CB 3.39Å; I1522-L1526 WeakPolarHBondContact O-CG 3.33Å; I1522-L1526 PolarHBondContact O-N 3.27Å
1523	I	61.1	Low	55.3	Low	78.2 Å²	78.2	81.2 Å²	81.2	40%	0.401	43%	0.429	S	S	.	.	H	α-helix	trans	-64.6	-42.1	177.3	-67.5	167.5	0	0	0	111	H1519 I1521 C1525 L1526 S1527 I1590 T1594	H1519-I1523 WeakPolarHBondContact O-CB 3.46Å; H1519-I1523 WeakPolarHBondContact O-CD1 3.34Å; H1519-I1523 VanDerWaalsContact O-CG1 3.28Å; H1519-I1523 WeakPolarHBondContact O-CG1 3.37Å; H1519-I1523 PolarHBondContact O-N 3.11Å; I1521-I1523 VanDerWaalsContact C-N 3.35Å; I1521-I1523 PolarHBondContact O-N 3.21Å; I1523-C1525 PolarHBondContact O-N 2.92Å; I1523-L1526 PolarHBondContact O-N 3.21Å; I1523-S1527 PolarHBondContact O-N 3.36Å; I1523-I1590 HydrophobicContact CG2-CD1 4.41Å; I1523-I1590 HydrophobicContact CG2-CG2 4.31Å; I1523-T1594 HydrophobicContact CD1-CG2 4.26Å
1524	G	55.6	Low	56.2	Low	27.2 Å²	27.2	80.7 Å²	80.7	28%	0.28	43%	0.425	S	S	.	.	H	α-helix	trans	-59.1	-48.7	174.7	0	0	0	0	0	112.6	F1520 I1521 L1526 S1527 M1528 H1587	F1520-G1524 PolarHBondContact O-N 3.22Å; I1521-G1524 PolarHBondContact O-N 3.08Å; G1524-L1526 PolarHBondContact O-N 3.27Å; G1524-S1527 PolarHBondContact O-N 3.03Å; G1524-S1527 PolarHBondContact O-OG 2.88Å; G1524-S1527 VanDerWaalsContact O-OG 3.04Å; G1524-M1528 WeakPolarHBondContact O-CG 3.3Å; G1524-M1528 PolarHBondContact O-N 2.92Å; G1524-H1587 WeakPolarHBondContact CA-NE2 3.4Å
1525	C	56.5	Low	56.8	Low	60.6 Å²	60.6	81.1 Å²	81.1	41%	0.409	43%	0.425	S	S	.	.	H	α-helix	trans	-61.2	-42.6	176.7	-70.4	0	0	0	0	112.4	I1521 I1522 I1523 S1527 M1528 L1529	I1521-C1525 WeakPolarHBondContact O-CB 3.28Å; I1521-C1525 PolarHBondContact O-N 2.95Å; I1521-C1525 PolarHBondContact O-SG 3.17Å; I1521-C1525 VanDerWaalsContact O-SG 3.38Å; I1522-C1525 PolarHBondContact O-N 3.11Å; I1523-C1525 PolarHBondContact O-N 2.92Å; C1525-S1527 VanDerWaalsContact C-N 3.34Å; C1525-S1527 PolarHBondContact O-N 3.48Å; C1525-M1528 PolarHBondContact O-N 3.03Å; C1525-L1529 WeakPolarHBondContact O-CB 3.33Å; C1525-L1529 PolarHBondContact O-N 2.93Å
1526	L	61.9	Low	57.5	Low	85.6 Å²	85.6	78 Å²	78	45%	0.448	42%	0.419	S	S	.	.	H	α-helix	trans	-60.7	-41.8	176.3	-82.8	164.2	0	0	0	112.5	I1522 I1523 G1524 M1528 L1529 I1530	I1522-L1526 HydrophobicContact CG2-CD1 4.03Å; I1522-L1526 WeakPolarHBondContact O-CB 3.39Å; I1522-L1526 WeakPolarHBondContact O-CG 3.33Å; I1522-L1526 PolarHBondContact O-N 3.27Å; I1523-L1526 PolarHBondContact O-N 3.21Å; G1524-L1526 PolarHBondContact O-N 3.27Å; L1526-M1528 VanDerWaalsContact C-N 3.34Å; L1526-M1528 PolarHBondContact O-N 3.14Å; L1526-L1529 WeakPolarHBondContact O-CB 3.31Å; L1526-L1529 PolarHBondContact O-N 3.23Å; L1526-I1530 VanDerWaalsContact O-CG1 3.3Å; L1526-I1530 WeakPolarHBondContact O-CG1 3.33Å; L1526-I1530 PolarHBondContact O-N 3.09Å
1527	S	61.7	Low	58	Low	41.6 Å²	41.6	76.1 Å²	76.1	29%	0.291	42%	0.419	S	S	.	.	H	α-helix	trans	-63.9	-40.6	178.4	76.9	0	0	0	0	112.7	I1523 G1524 C1525 L1529 I1530 S1531 H1587	I1523-S1527 PolarHBondContact O-N 3.36Å; G1524-S1527 PolarHBondContact O-N 3.03Å; G1524-S1527 PolarHBondContact O-OG 2.88Å; G1524-S1527 VanDerWaalsContact O-OG 3.04Å; C1525-S1527 VanDerWaalsContact C-N 3.34Å; C1525-S1527 PolarHBondContact O-N 3.48Å; S1527-L1529 VanDerWaalsContact C-N 3.34Å; S1527-I1530 PolarHBondContact O-N 2.96Å; S1527-S1531 WeakPolarHBondContact O-CB 3.39Å; S1527-S1531 PolarHBondContact O-N 3.17Å; S1527-S1531 VanDerWaalsContact O-N 3.08Å; S1527-H1587 WeakPolarHBondContact CB-NE2 3.19Å; S1527-H1587 PolarHBondContact OG-CE1 2.89Å; S1527-H1587 VanDerWaalsContact OG-CE1 3.25Å; S1527-H1587 PolarHBondContact OG-NE2 2.85Å
1528	M	57.5	Low	58.2	Low	83.4 Å²	83.4	74.6 Å²	74.6	41%	0.411	42%	0.417	S	S	.	.	H	α-helix	trans	-66.1	-38.8	175.2	-71.1	-70.8	-93.9	0	0	111.9	G1524 C1525 L1526 S1531 T1532 I1583 F1584 F1641 L1642	G1524-M1528 WeakPolarHBondContact O-CG 3.3Å; G1524-M1528 PolarHBondContact O-N 2.92Å; C1525-M1528 PolarHBondContact O-N 3.03Å; L1526-M1528 VanDerWaalsContact C-N 3.34Å; L1526-M1528 PolarHBondContact O-N 3.14Å; M1528-S1531 PolarHBondContact O-N 3.22Å; M1528-T1532 WeakPolarHBondContact O-CB 3.42Å; M1528-T1532 WeakPolarHBondContact O-CG2 3.38Å; M1528-T1532 PolarHBondContact O-N 3.12Å; M1528-T1532 VanDerWaalsContact O-N 3.09Å; M1528-T1532 PolarHBondContact O-OG1 3.32Å; M1528-I1583 HydrophobicContact SD-CB 3.71Å; M1528-I1583 HydrophobicContact SD-CG2 3.33Å; M1528-I1583 WeakPolarHBondContact SD-CG2 3.44Å; M1528-F1584 HydrophobicContact CE-CB 4.31Å; M1528-F1641 HydrophobicContact CB-CD1 3.72Å; M1528-F1641 HydrophobicContact CB-CE1 3.61Å; M1528-F1641 HydrophobicContact CE-CD2 4.45Å; M1528-F1641 HydrophobicContact CE-CE2 3.86Å; M1528-F1641 HydrophobicContact CE-CZ 3.87Å; M1528-F1641 HydrophobicContact SD-CD2 4.32Å; M1528-F1641 HydrophobicContact SD-CE1 4.23Å; M1528-F1641 HydrophobicContact SD-CE2 3.8Å; M1528-F1641 VanDerWaalsContact SD-CE2 3.53Å; M1528-F1641 HydrophobicContact SD-CZ 3.64Å; M1528-L1642 HydrophobicContact CE-CD1 4.02Å
1529	L	59.6	Low	58.2	Low	87.4 Å²	87.4	76.1 Å²	76.1	46%	0.458	43%	0.425	S	S	.	.	H	α-helix	trans	-65.7	-44.7	176.9	-141.5	163.5	0	0	0	111.4	C1525 L1526 S1527 S1531 T1532 I1533 F1641	C1525-L1529 WeakPolarHBondContact O-CB 3.33Å; C1525-L1529 PolarHBondContact O-N 2.93Å; L1526-L1529 WeakPolarHBondContact O-CB 3.31Å; L1526-L1529 PolarHBondContact O-N 3.23Å; S1527-L1529 VanDerWaalsContact C-N 3.34Å; L1529-S1531 PolarHBondContact O-N 3.18Å; L1529-T1532 WeakPolarHBondContact CA-OG1 3.34Å; L1529-T1532 PolarHBondContact O-N 3.03Å; L1529-T1532 PolarHBondContact O-OG1 3.07Å; L1529-T1532 VanDerWaalsContact O-OG1 3.05Å; L1529-I1533 HydrophobicContact CD2-CD1 3.59Å; L1529-I1533 VanDerWaalsContact CD2-CD1 3.47Å; L1529-I1533 HydrophobicContact CD2-CG1 4.18Å; L1529-I1533 WeakPolarHBondContact O-CB 3.4Å; L1529-I1533 WeakPolarHBondContact O-CD1 3.46Å; L1529-I1533 WeakPolarHBondContact O-CG1 3.32Å; L1529-I1533 PolarHBondContact O-N 3.14Å; L1529-I1533 VanDerWaalsContact O-N 3.12Å; L1529-F1641 HydrophobicContact CB-CE1 4.12Å; L1529-F1641 HydrophobicContact CB-CE2 4.39Å; L1529-F1641 HydrophobicContact CB-CZ 3.52Å; L1529-F1641 HydrophobicContact CD1-CE2 4.05Å; L1529-F1641 HydrophobicContact CD1-CZ 3.89Å; L1529-F1641 HydrophobicContact CG-CE2 4.49Å; L1529-F1641 HydrophobicContact CG-CZ 3.83Å
1530	I	64.7	Low	58	Low	103 Å²	103	78.8 Å²	78.8	53%	0.528	43%	0.432	S	S	.	.	H	α-helix	trans	-62.7	-45	176.2	-67.7	164.7	0	0	0	110.9	L1526 S1527 T1532 I1533 F1534	L1526-I1530 VanDerWaalsContact O-CG1 3.3Å; L1526-I1530 WeakPolarHBondContact O-CG1 3.33Å; L1526-I1530 PolarHBondContact O-N 3.09Å; S1527-I1530 PolarHBondContact O-N 2.96Å; I1530-T1532 PolarHBondContact O-N 3.13Å; I1530-I1533 PolarHBondContact O-N 3.22Å; I1530-F1534 HydrophobicContact CG2-CD2 3.93Å; I1530-F1534 HydrophobicContact CG2-CE2 4.14Å; I1530-F1534 WeakPolarHBondContact O-CB 3.44Å; I1530-F1534 WeakPolarHBondContact O-CD2 3.4Å; I1530-F1534 PolarHBondContact O-N 3.16Å; I1530-F1534 VanDerWaalsContact O-N 3.11Å
1531	S	59.3	Low	57.8	Low	49.8 Å²	49.8	83.5 Å²	83.5	35%	0.348	45%	0.448	S	S	.	.	H	α-helix	trans	-62.8	-41.6	178.7	-172.8	0	0	0	0	112.8	S1527 M1528 L1529 F1534 T1535	S1527-S1531 WeakPolarHBondContact O-CB 3.39Å; S1527-S1531 PolarHBondContact O-N 3.17Å; S1527-S1531 VanDerWaalsContact O-N 3.08Å; M1528-S1531 PolarHBondContact O-N 3.22Å; L1529-S1531 PolarHBondContact O-N 3.18Å; S1531-F1534 PolarHBondContact O-N 3.04Å; S1531-T1535 WeakPolarHBondContact O-CG2 3.35Å; S1531-T1535 PolarHBondContact O-N 3.18Å; S1531-T1535 VanDerWaalsContact O-N 3.1Å; S1531-T1535 PolarHBondContact O-OG1 3.1Å
1532	T	58.5	Low	57.7	Low	66 Å²	66	84.3 Å²	84.3	41%	0.405	45%	0.451	S	S	.	.	H	α-helix	trans	-71.3	-36.8	178.1	48.1	0	0	0	0	112.8	M1528 L1529 I1530 F1534 T1535 S1536 A1645	M1528-T1532 WeakPolarHBondContact O-CB 3.42Å; M1528-T1532 WeakPolarHBondContact O-CG2 3.38Å; M1528-T1532 PolarHBondContact O-N 3.12Å; M1528-T1532 VanDerWaalsContact O-N 3.09Å; M1528-T1532 PolarHBondContact O-OG1 3.32Å; L1529-T1532 WeakPolarHBondContact CA-OG1 3.34Å; L1529-T1532 PolarHBondContact O-N 3.03Å; L1529-T1532 PolarHBondContact O-OG1 3.07Å; L1529-T1532 VanDerWaalsContact O-OG1 3.05Å; I1530-T1532 PolarHBondContact O-N 3.13Å; T1532-F1534 VanDerWaalsContact C-N 3.32Å; T1532-F1534 PolarHBondContact O-N 2.86Å; T1532-T1535 WeakPolarHBondContact CA-OG1 3.38Å; T1532-T1535 PolarHBondContact O-N 3.15Å; T1532-T1535 PolarHBondContact O-OG1 3.3Å; T1532-T1535 VanDerWaalsContact O-OG1 3.13Å; T1532-S1536 VanDerWaalsContact O-CB 3.29Å; T1532-S1536 WeakPolarHBondContact O-CB 3.41Å; T1532-S1536 PolarHBondContact O-N 3.13Å; T1532-S1536 VanDerWaalsContact O-N 3.1Å; T1532-S1536 PolarHBondContact O-OG 3.37Å; T1532-A1645 HydrophobicContact CG2-CB 3.83Å
1533	I	63.3	Low	57.3	Low	91 Å²	91	85.1 Å²	85.1	47%	0.467	46%	0.456	S	S	.	.	H	α-helix	trans	-62.1	-46.1	170.9	-72	172.2	0	0	0	111	L1529 I1530 T1535 S1536 S1537	L1529-I1533 HydrophobicContact CD2-CD1 3.59Å; L1529-I1533 VanDerWaalsContact CD2-CD1 3.47Å; L1529-I1533 HydrophobicContact CD2-CG1 4.18Å; L1529-I1533 WeakPolarHBondContact O-CB 3.4Å; L1529-I1533 WeakPolarHBondContact O-CD1 3.46Å; L1529-I1533 WeakPolarHBondContact O-CG1 3.32Å; L1529-I1533 PolarHBondContact O-N 3.14Å; L1529-I1533 VanDerWaalsContact O-N 3.12Å; I1530-I1533 PolarHBondContact O-N 3.22Å; I1533-T1535 PolarHBondContact O-N 3.4Å; I1533-S1536 PolarHBondContact O-N 3.12Å; I1533-S1537 VanDerWaalsContact O-CB 3.24Å; I1533-S1537 WeakPolarHBondContact O-CB 3.42Å; I1533-S1537 PolarHBondContact O-N 3.06Å; I1533-S1537 PolarHBondContact O-OG 3.24Å
1534	F	60.1	Low	56.7	Low	134.2 Å²	134.2	84.3 Å²	84.3	59%	0.589	46%	0.455	S	S	*	.	H	α-helix	trans	-67.3	-40.8	-177.4	-130.5	-85.8	0	0	0	112.7	I1530 S1531 T1532 S1537 A1538	I1530-F1534 HydrophobicContact CG2-CD2 3.93Å; I1530-F1534 HydrophobicContact CG2-CE2 4.14Å; I1530-F1534 WeakPolarHBondContact O-CB 3.44Å; I1530-F1534 WeakPolarHBondContact O-CD2 3.4Å; I1530-F1534 PolarHBondContact O-N 3.16Å; I1530-F1534 VanDerWaalsContact O-N 3.11Å; S1531-F1534 PolarHBondContact O-N 3.04Å; T1532-F1534 VanDerWaalsContact C-N 3.32Å; T1532-F1534 PolarHBondContact O-N 2.86Å; F1534-S1537 PolarHBondContact O-N 3.15Å; F1534-S1537 PolarHBondContact O-OG 3.22Å; F1534-S1537 VanDerWaalsContact O-OG 3.06Å; F1534-A1538 WeakPolarHBondContact O-CB 3.43Å; F1534-A1538 PolarHBondContact O-N 3.13Å; F1534-A1538 VanDerWaalsContact O-N 3.08Å
1535	T	57.8	Low	56.2	Low	69 Å²	69	91 Å²	91	42%	0.423	48%	0.477	S	S	.	.	H	α-helix	trans	-66.7	-39.1	174.9	49.3	0	0	0	0	112.5	S1531 T1532 I1533 S1537 A1538 L1539	S1531-T1535 WeakPolarHBondContact O-CG2 3.35Å; S1531-T1535 PolarHBondContact O-N 3.18Å; S1531-T1535 VanDerWaalsContact O-N 3.1Å; S1531-T1535 PolarHBondContact O-OG1 3.1Å; T1532-T1535 WeakPolarHBondContact CA-OG1 3.38Å; T1532-T1535 PolarHBondContact O-N 3.15Å; T1532-T1535 PolarHBondContact O-OG1 3.3Å; T1532-T1535 VanDerWaalsContact O-OG1 3.13Å; I1533-T1535 PolarHBondContact O-N 3.4Å; T1535-S1537 PolarHBondContact O-N 3.17Å; T1535-A1538 PolarHBondContact O-N 3.03Å; T1535-L1539 WeakPolarHBondContact O-CG 3.41Å; T1535-L1539 PolarHBondContact O-N 3.03Å; T1535-L1539 VanDerWaalsContact O-N 3.13Å
1536	S	57.7	Low	55.6	Low	63 Å²	63	94 Å²	94	44%	0.441	48%	0.483	S	S	.	.	H	α-helix	trans	-63.8	-42.3	173.1	-157.9	0	0	0	0	112.3	T1532 I1533 A1538 L1539 Y1540	T1532-S1536 VanDerWaalsContact O-CB 3.29Å; T1532-S1536 WeakPolarHBondContact O-CB 3.41Å; T1532-S1536 PolarHBondContact O-N 3.13Å; T1532-S1536 VanDerWaalsContact O-N 3.1Å; T1532-S1536 PolarHBondContact O-OG 3.37Å; I1533-S1536 PolarHBondContact O-N 3.12Å; S1536-A1538 VanDerWaalsContact C-N 3.34Å; S1536-A1538 PolarHBondContact O-N 3.18Å; S1536-L1539 PolarHBondContact O-N 3.29Å; S1536-Y1540 WeakPolarHBondContact O-CB 3.3Å; S1536-Y1540 PolarHBondContact O-N 3.19Å
1537	S	58.1	Low	54.9	Low	62.4 Å²	62.4	97.1 Å²	97.1	44%	0.436	50%	0.495	S	S	.	.	H	α-helix	trans	-64.8	-37.9	177.9	-64.4	0	0	0	0	112.6	I1533 F1534 T1535 Y1540 R1541	I1533-S1537 VanDerWaalsContact O-CB 3.24Å; I1533-S1537 WeakPolarHBondContact O-CB 3.42Å; I1533-S1537 PolarHBondContact O-N 3.06Å; I1533-S1537 PolarHBondContact O-OG 3.24Å; F1534-S1537 PolarHBondContact O-N 3.15Å; F1534-S1537 PolarHBondContact O-OG 3.22Å; F1534-S1537 VanDerWaalsContact O-OG 3.06Å; T1535-S1537 PolarHBondContact O-N 3.17Å; S1537-Y1540 PolarHBondContact O-N 2.82Å; S1537-R1541 WeakPolarHBondContact O-CB 3.35Å; S1537-R1541 PolarHBondContact O-N 3.07Å
1538	A	55.5	Low	54	Low	49.2 Å²	49.2	103.6 Å²	103.6	41%	0.407	52%	0.518	S	S	.	.	H	α-helix	trans	-63.5	-45.3	174.4	0	0	0	0	0	111.9	F1534 T1535 S1536 Y1540 R1541 I1542	F1534-A1538 WeakPolarHBondContact O-CB 3.43Å; F1534-A1538 PolarHBondContact O-N 3.13Å; F1534-A1538 VanDerWaalsContact O-N 3.08Å; T1535-A1538 PolarHBondContact O-N 3.03Å; S1536-A1538 VanDerWaalsContact C-N 3.34Å; S1536-A1538 PolarHBondContact O-N 3.18Å; A1538-Y1540 PolarHBondContact O-N 3.26Å; A1538-R1541 PolarHBondContact O-N 3.06Å; A1538-I1542 WeakPolarHBondContact O-CD1 3.17Å; A1538-I1542 WeakPolarHBondContact O-CG1 3.39Å; A1538-I1542 PolarHBondContact O-N 3.24Å
1539	L	50.7	Low	53.4	Low	97.8 Å²	97.8	105.2 Å²	105.2	51%	0.512	53%	0.528	S	S	.	.	H	α-helix	trans	-62.9	-42.6	177	-72.6	166.1	0	0	0	112.2	T1535 S1536 R1541 I1542 N1543 T1571	T1535-L1539 WeakPolarHBondContact O-CG 3.41Å; T1535-L1539 PolarHBondContact O-N 3.03Å; T1535-L1539 VanDerWaalsContact O-N 3.13Å; S1536-L1539 PolarHBondContact O-N 3.29Å; L1539-R1541 VanDerWaalsContact C-N 3.29Å; L1539-R1541 PolarHBondContact O-N 3.28Å; L1539-I1542 HydrophobicContact CD2-CD1 4.15Å; L1539-I1542 WeakPolarHBondContact O-CB 3.24Å; L1539-I1542 PolarHBondContact O-N 3.01Å; L1539-I1542 VanDerWaalsContact O-N 3.09Å; L1539-N1543 PolarHBondContact O-N 3.06Å; L1539-N1543 VanDerWaalsContact O-N 3.16Å; L1539-T1571 HydrophobicContact CD1-CG2 3.95Å; L1539-T1571 HydrophobicContact CD2-CG2 3.76Å
1540	Y	49.7	Very low	52.7	Low	158 Å²	158	105.9 Å²	105.9	62%	0.62	54%	0.536	S	S	*	.	H	α-helix	trans	-61.2	-39.4	177.6	-170.9	-98.4	0	0	0	112.5	S1536 S1537 A1538 I1542 N1543 T1544	S1536-Y1540 WeakPolarHBondContact O-CB 3.3Å; S1536-Y1540 PolarHBondContact O-N 3.19Å; S1537-Y1540 PolarHBondContact O-N 2.82Å; A1538-Y1540 PolarHBondContact O-N 3.26Å; Y1540-I1542 VanDerWaalsContact C-N 3.27Å; Y1540-I1542 PolarHBondContact O-N 3.08Å; Y1540-N1543 PolarHBondContact O-N 3.24Å; Y1540-N1543 VanDerWaalsContact O-N 3.11Å; Y1540-T1544 HydrophobicContact CD1-CG2 4.15Å; Y1540-T1544 HydrophobicContact CD2-CG2 4.41Å; Y1540-T1544 HydrophobicContact CE1-CG2 3.74Å; Y1540-T1544 HydrophobicContact CE2-CG2 4.1Å; Y1540-T1544 HydrophobicContact CG-CG2 4.45Å; Y1540-T1544 VanDerWaalsContact CZ-CG2 3.47Å; Y1540-T1544 PolarHBondContact O-N 3.3Å; Y1540-T1544 VanDerWaalsContact O-N 3.07Å; Y1540-T1544 PolarHBondContact O-OG1 3.03Å
1541	R	50.6	Low	51.7	Low	187.6 Å²	187.6	108 Å²	108	71%	0.708	55%	0.548	S	S	*	.	H	α-helix	trans	-69.1	-22	178.3	-138.3	-179.2	-171.8	-163.5	3.3	113.7	C1408 S1537 A1538 L1539 T1544	C1408-R1541 PolarHBondContact O-NH1 3.29Å; S1537-R1541 WeakPolarHBondContact O-CB 3.35Å; S1537-R1541 PolarHBondContact O-N 3.07Å; A1538-R1541 PolarHBondContact O-N 3.06Å; L1539-R1541 VanDerWaalsContact C-N 3.29Å; L1539-R1541 PolarHBondContact O-N 3.28Å; R1541-T1544 WeakPolarHBondContact CA-OG1 3.33Å; R1541-T1544 PolarHBondContact O-OG1 3.15Å
1542	I	53	Low	50.9	Low	93.6 Å²	93.6	111.6 Å²	111.6	48%	0.48	56%	0.563	S	S	.	*	H	α-helix	trans	-77.6	-46.2	174	-63.7	166.7	0	0	0	110.2	A1538 L1539 Y1540 T1544 K1545 M1568	A1538-I1542 WeakPolarHBondContact O-CD1 3.17Å; A1538-I1542 WeakPolarHBondContact O-CG1 3.39Å; A1538-I1542 PolarHBondContact O-N 3.24Å; L1539-I1542 HydrophobicContact CD2-CD1 4.15Å; L1539-I1542 WeakPolarHBondContact O-CB 3.24Å; L1539-I1542 PolarHBondContact O-N 3.01Å; L1539-I1542 VanDerWaalsContact O-N 3.09Å; Y1540-I1542 VanDerWaalsContact C-N 3.27Å; Y1540-I1542 PolarHBondContact O-N 3.08Å; I1542-T1544 VanDerWaalsContact C-N 3.34Å; I1542-T1544 PolarHBondContact O-N 3.11Å; I1542-K1545 PolarHBondContact O-N 3Å; I1542-M1568 HydrophobicContact CD1-CE 3.73Å; I1542-M1568 HydrophobicContact CD1-SD 3.54Å; I1542-M1568 VanDerWaalsContact CD1-SD 3.54Å; I1542-M1568 HydrophobicContact CG1-SD 3.96Å; I1542-M1568 HydrophobicContact CG2-CE 3.97Å; I1542-M1568 HydrophobicContact CG2-SD 4.31Å
1543	N	49.3	Very low	50	Low	98 Å²	98	115.3 Å²	115.3	52%	0.524	58%	0.58	S	S	.	*	H	α-helix	trans	-64.2	-42.7	-179.9	-102.7	7.1	0	0	0	112.7	L1539 Y1540 K1545 K1546	L1539-N1543 PolarHBondContact O-N 3.06Å; L1539-N1543 VanDerWaalsContact O-N 3.16Å; Y1540-N1543 PolarHBondContact O-N 3.24Å; Y1540-N1543 VanDerWaalsContact O-N 3.11Å; N1543-K1545 VanDerWaalsContact C-N 3.26Å; N1543-K1545 PolarHBondContact O-N 3.04Å; N1543-K1545 VanDerWaalsContact O-N 3.1Å; N1543-K1546 WeakPolarHBondContact O-CB 3.39Å; N1543-K1546 PolarHBondContact O-N 3.05Å
1544	T	48.7	Very low	48.9	Very low	61.4 Å²	61.4	118.6 Å²	118.6	38%	0.377	59%	0.593	S	S	.	*	H	α-helix	trans	-64.6	-19.2	-178.8	48.6	0	0	0	0	114.6	Y1540 R1541 I1542 K1546	Y1540-T1544 HydrophobicContact CD1-CG2 4.15Å; Y1540-T1544 HydrophobicContact CD2-CG2 4.41Å; Y1540-T1544 HydrophobicContact CE1-CG2 3.74Å; Y1540-T1544 HydrophobicContact CE2-CG2 4.1Å; Y1540-T1544 HydrophobicContact CG-CG2 4.45Å; Y1540-T1544 VanDerWaalsContact CZ-CG2 3.47Å; Y1540-T1544 PolarHBondContact O-N 3.3Å; Y1540-T1544 VanDerWaalsContact O-N 3.07Å; Y1540-T1544 PolarHBondContact O-OG1 3.03Å; R1541-T1544 WeakPolarHBondContact CA-OG1 3.33Å; R1541-T1544 PolarHBondContact O-OG1 3.15Å; I1542-T1544 VanDerWaalsContact C-N 3.34Å; I1542-T1544 PolarHBondContact O-N 3.11Å; T1544-K1546 VanDerWaalsContact C-N 3.31Å; T1544-K1546 PolarHBondContact O-N 2.79Å
1545	K	45.9	Very low	47.9	Very low	167.4 Å²	167.4	119.3 Å²	119.3	73%	0.728	60%	0.603	S	S	*	*	H	α-helix	trans	-80.4	-18.6	170.5	-84.7	-167.7	170.9	-170.1	0	113.7	I1542 N1543 K1548 Y1561	I1542-K1545 PolarHBondContact O-N 3Å; N1543-K1545 VanDerWaalsContact C-N 3.26Å; N1543-K1545 PolarHBondContact O-N 3.04Å; N1543-K1545 VanDerWaalsContact O-N 3.1Å; K1545-K1548 PolarHBondContact O-N 3.42Å; K1545-Y1561 PolarHBondContact O-OH 3.06Å
1546	K	43.7	Very low	47.3	Very low	124.8 Å²	124.8	124.1 Å²	124.1	54%	0.543	62%	0.621	S	S	.	*	H	α-helix	trans	-82.6	-31.2	-174.3	-148.8	176.2	-177.5	-178.2	0	112.9	N1543 T1544 K1548 L1549 G1564	N1543-K1546 WeakPolarHBondContact O-CB 3.39Å; N1543-K1546 PolarHBondContact O-N 3.05Å; T1544-K1546 VanDerWaalsContact C-N 3.31Å; T1544-K1546 PolarHBondContact O-N 2.79Å; K1546-K1548 VanDerWaalsContact C-N 3.3Å; K1546-K1548 PolarHBondContact O-N 3.36Å; K1546-L1549 PolarHBondContact O-N 3.23Å; K1546-G1564 PolarHBondContact NZ-O 3.21Å
1547	E	46.7	Very low	46.5	Very low	150.6 Å²	150.6	127.4 Å²	127.4	70%	0.704	63%	0.625	S	S	*	*	H	α-helix	trans	-80.6	-15.8	-179.7	-129.2	172.3	-173.9	0	0	113.7	L1549 T1550 K1663	E1547-L1549 VanDerWaalsContact C-N 3.35Å; E1547-T1550 PolarHBondContact O-OG1 3.15Å; E1547-T1550 VanDerWaalsContact O-OG1 3.1Å; E1547-K1663 IonicContact OE1-NZ 2.66Å; E1547-K1663 PolarHBondContact OE1-NZ 3.45Å
1548	K	44.3	Very low	45.7	Very low	178.6 Å²	178.6	131.9 Å²	131.9	78%	0.777	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-1	177.1	-89.5	-166.4	173	-170.2	0	115.2	K1545 K1546	K1545-K1548 PolarHBondContact O-N 3.42Å; K1546-K1548 VanDerWaalsContact C-N 3.3Å; K1546-K1548 PolarHBondContact O-N 3.36Å
1549	L	42.9	Very low	45.2	Very low	116 Å²	116	136.7 Å²	136.7	61%	0.607	66%	0.658	S	S	*	*	S	Bend	trans	-117.2	5	-175.1	-143.3	76.8	0	0	0	114.5	K1546 E1547 N1551 Y1557 Y1561	K1546-L1549 PolarHBondContact O-N 3.23Å; E1547-L1549 VanDerWaalsContact C-N 3.35Å; L1549-N1551 VanDerWaalsContact C-N 3.31Å; L1549-N1551 PolarHBondContact O-N 3.09Å; L1549-Y1557 HydrophobicContact CD2-CE1 4.11Å; L1549-Y1557 HydrophobicContact CG-CE1 4.48Å; L1549-Y1561 WeakPolarHBondContact CB-OH 3.36Å; L1549-Y1561 HydrophobicContact CD2-CE2 3.57Å; L1549-Y1561 VanDerWaalsContact CD2-OH 3.29Å; L1549-Y1561 WeakPolarHBondContact CD2-OH 3.3Å
1550	T	45.2	Very low	45	Very low	103 Å²	103	136 Å²	136	63%	0.632	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	6.3	179.9	47.7	0	0	0	0	113.9	E1547	E1547-T1550 PolarHBondContact O-OG1 3.15Å; E1547-T1550 VanDerWaalsContact O-OG1 3.1Å
1551	N	43.8	Very low	44.8	Very low	146.4 Å²	146.4	134.4 Å²	134.4	78%	0.783	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	31.3	-173.8	-67.2	2.8	0	0	0	113.8	L1549	L1549-N1551 VanDerWaalsContact C-N 3.31Å; L1549-N1551 PolarHBondContact O-N 3.09Å
1552	L	43.2	Very low	44.5	Very low	126.2 Å²	126.2	129.3 Å²	129.3	66%	0.661	64%	0.642	S	S	*	*	S	Bend	trans	-137.1	128	159.7	-80.2	133.9	0	0	0	111.7	Y1557	L1552-Y1557 HydrophobicContact CB-CE2 4.42Å; L1552-Y1557 WeakPolarHBondContact O-CE2 3.37Å
1553	N	40.2	Very low	44	Very low	143.4 Å²	143.4	130.3 Å²	130.3	77%	0.767	65%	0.646	S	S	*	*			trans	41.5	115.5	171.3	-62.3	-3.6	0	0	0	117.1	N1555 Y1557	N1553-N1555 VanDerWaalsContact C-N 3.3Å; N1553-N1555 PolarHBondContact O-N 2.87Å; N1553-N1555 VanDerWaalsContact O-N 3.09Å; N1553-Y1557 VanDerWaalsContact O-CD2 3.31Å; N1553-Y1557 WeakPolarHBondContact O-CD2 3.35Å
1554	H	39	Very low	43.7	Very low	159.6 Å²	159.6	127.7 Å²	127.7	74%	0.739	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	20.1	-170.8	-123.7	-54.9	0	0	0	114.3	N1305	N1305-H1554 PolarHBondContact ND2-NE2 2.87Å
1555	N	40.4	Very low	43.7	Very low	149.4 Å²	149.4	128.7 Å²	128.7	80%	0.799	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121	7	-177.9	-71.6	1.2	0	0	0	115.9	N1553 Y1557	N1553-N1555 VanDerWaalsContact C-N 3.3Å; N1553-N1555 PolarHBondContact O-N 2.87Å; N1553-N1555 VanDerWaalsContact O-N 3.09Å; N1555-Y1557 VanDerWaalsContact C-N 3.3Å; N1555-Y1557 PolarHBondContact O-N 3.44Å
1556	E	44.7	Very low	43.5	Very low	170.6 Å²	170.6	125.8 Å²	125.8	80%	0.797	63%	0.632	S	S	*	*	S	Bend	trans	-114.4	-16.3	173.8	-74.7	-174.8	142.6	0	0	115.2	M1558 I1559	E1556-M1558 VanDerWaalsContact C-N 3.35Å; E1556-M1558 PolarHBondContact O-N 3.05Å; E1556-M1558 VanDerWaalsContact O-N 3.08Å; E1556-I1559 PolarHBondContact O-N 3.04Å
1557	Y	40	Very low	43.6	Very low	131.8 Å²	131.8	128.1 Å²	128.1	52%	0.517	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.6	-4.4	-163.2	-88	-86	0	0	0	116.7	L1549 L1552 N1553 N1555 I1559 S1560 Y1561	L1549-Y1557 HydrophobicContact CD2-CE1 4.11Å; L1549-Y1557 HydrophobicContact CG-CE1 4.48Å; L1552-Y1557 HydrophobicContact CB-CE2 4.42Å; L1552-Y1557 WeakPolarHBondContact O-CE2 3.37Å; N1553-Y1557 VanDerWaalsContact O-CD2 3.31Å; N1553-Y1557 WeakPolarHBondContact O-CD2 3.35Å; N1555-Y1557 VanDerWaalsContact C-N 3.3Å; N1555-Y1557 PolarHBondContact O-N 3.44Å; Y1557-I1559 VanDerWaalsContact C-N 3.26Å; Y1557-I1559 PolarHBondContact O-N 3.32Å; Y1557-S1560 PolarHBondContact O-N 2.98Å; Y1557-Y1561 HydrophobicContact CD1-CD2 4.26Å; Y1557-Y1561 AromaticContact CD1-CE2 3.77Å; Y1557-Y1561 HydrophobicContact CD1-CE2 3.95Å; Y1557-Y1561 HydrophobicContact CE1-CE2 4.28Å; Y1557-Y1561 HydrophobicContact CG-CE2 4.29Å; Y1557-Y1561 WeakPolarHBondContact O-CB 3.27Å; Y1557-Y1561 WeakPolarHBondContact O-CD2 3.3Å; Y1557-Y1561 PolarHBondContact O-N 3.13Å
1558	M	41.7	Very low	43.5	Very low	156.4 Å²	156.4	126.2 Å²	126.2	77%	0.77	63%	0.63	S	S	*	*	H	α-helix	trans	-71	-31.4	-177.3	-102.4	-142.2	69.3	0	0	114.2	E1556 S1560 Y1561 D1562	E1556-M1558 VanDerWaalsContact C-N 3.35Å; E1556-M1558 PolarHBondContact O-N 3.05Å; E1556-M1558 VanDerWaalsContact O-N 3.08Å; M1558-S1560 VanDerWaalsContact C-N 3.3Å; M1558-S1560 PolarHBondContact O-N 3.27Å; M1558-Y1561 PolarHBondContact O-N 3.41Å; M1558-D1562 PolarHBondContact O-N 3.12Å
1559	I	46.2	Very low	43.8	Very low	150.4 Å²	150.4	121.1 Å²	121.1	77%	0.771	61%	0.611	S	S	*	*	H	α-helix	trans	-78.7	-34.1	-175.9	-59.5	177	0	0	0	111.7	E1556 Y1557 Y1561 M1563	E1556-I1559 PolarHBondContact O-N 3.04Å; Y1557-I1559 VanDerWaalsContact C-N 3.26Å; Y1557-I1559 PolarHBondContact O-N 3.32Å; I1559-Y1561 VanDerWaalsContact C-N 3.35Å; I1559-Y1561 PolarHBondContact O-N 3.23Å; I1559-M1563 PolarHBondContact O-N 3.18Å
1560	S	45.6	Very low	44.3	Very low	82.6 Å²	82.6	120.7 Å²	120.7	58%	0.578	61%	0.608	S	S	*	*	H	α-helix	trans	-76.1	-23.2	-179.3	-170.2	0	0	0	0	113.9	Y1557 M1558 D1562 G1564	Y1557-S1560 PolarHBondContact O-N 2.98Å; M1558-S1560 VanDerWaalsContact C-N 3.3Å; M1558-S1560 PolarHBondContact O-N 3.27Å; S1560-D1562 PolarHBondContact O-N 2.95Å; S1560-G1564 PolarHBondContact O-N 3.19Å
1561	Y	45.4	Very low	44.8	Very low	125.4 Å²	125.4	118.7 Å²	118.7	49%	0.492	60%	0.596	S	S	.	*	H	α-helix	trans	-74.5	-35.2	-174.2	-103.1	-96.5	0	0	0	113.8	K1545 L1549 Y1557 M1558 I1559 M1563 G1564 I1565	K1545-Y1561 PolarHBondContact O-OH 3.06Å; L1549-Y1561 WeakPolarHBondContact CB-OH 3.36Å; L1549-Y1561 HydrophobicContact CD2-CE2 3.57Å; L1549-Y1561 VanDerWaalsContact CD2-OH 3.29Å; L1549-Y1561 WeakPolarHBondContact CD2-OH 3.3Å; Y1557-Y1561 HydrophobicContact CD1-CD2 4.26Å; Y1557-Y1561 AromaticContact CD1-CE2 3.77Å; Y1557-Y1561 HydrophobicContact CD1-CE2 3.95Å; Y1557-Y1561 HydrophobicContact CE1-CE2 4.28Å; Y1557-Y1561 HydrophobicContact CG-CE2 4.29Å; Y1557-Y1561 WeakPolarHBondContact O-CB 3.27Å; Y1557-Y1561 WeakPolarHBondContact O-CD2 3.3Å; Y1557-Y1561 PolarHBondContact O-N 3.13Å; M1558-Y1561 PolarHBondContact O-N 3.41Å; I1559-Y1561 VanDerWaalsContact C-N 3.35Å; I1559-Y1561 PolarHBondContact O-N 3.23Å; Y1561-M1563 VanDerWaalsContact C-N 3.32Å; Y1561-M1563 PolarHBondContact O-N 3.22Å; Y1561-G1564 CarbonylContact O-C 3.41Å; Y1561-G1564 WeakPolarHBondContact O-CA 3.46Å; Y1561-G1564 PolarHBondContact O-N 3.25Å; Y1561-G1564 VanDerWaalsContact O-N 3.16Å; Y1561-I1565 HydrophobicContact CD1-CD1 4.42Å; Y1561-I1565 WeakPolarHBondContact O-CG1 3.39Å; Y1561-I1565 PolarHBondContact O-N 3.21Å
1562	D	45.2	Very low	45.5	Very low	80.6 Å²	80.6	114.4 Å²	114.4	43%	0.431	58%	0.576	S	S	.	*	H	α-helix	trans	-68.4	-37.5	-179.4	-172.5	48.6	0	0	0	112.4	M1558 S1560 G1564 I1565 K1566	M1558-D1562 PolarHBondContact O-N 3.12Å; S1560-D1562 PolarHBondContact O-N 2.95Å; D1562-G1564 PolarHBondContact O-N 3.08Å; D1562-I1565 WeakPolarHBondContact O-CA 3.17Å; D1562-I1565 WeakPolarHBondContact O-CB 3.44Å; D1562-I1565 PolarHBondContact O-N 3.27Å; D1562-K1566 WeakPolarHBondContact O-CB 3.3Å; D1562-K1566 VanDerWaalsContact O-CG 3.3Å; D1562-K1566 WeakPolarHBondContact O-CG 3.34Å; D1562-K1566 PolarHBondContact O-N 3.07Å; D1562-K1566 WeakPolarHBondContact OD1-CD 3.16Å; D1562-K1566 WeakPolarHBondContact OD1-CE 3.37Å; D1562-K1566 IonicContact OD1-NZ 2.67Å; D1562-K1566 PolarHBondContact OD1-NZ 3.44Å; D1562-K1566 VanDerWaalsContact OD1-NZ 3.11Å; D1562-K1566 VanDerWaalsContact OD2-CE 3.26Å; D1562-K1566 WeakPolarHBondContact OD2-CE 3.37Å; D1562-K1566 IonicContact OD2-NZ 2.98Å; D1562-K1566 PolarHBondContact OD2-NZ 3.08Å
1563	M	42	Very low	46.3	Very low	114.4 Å²	114.4	111.7 Å²	111.7	56%	0.564	56%	0.56	S	S	*	*	H	α-helix	trans	-60.7	-44.3	170.9	-78.3	-66.6	-158.5	0	0	112.3	I1559 Y1561 I1565 K1566 Y1567	I1559-M1563 PolarHBondContact O-N 3.18Å; Y1561-M1563 VanDerWaalsContact C-N 3.32Å; Y1561-M1563 PolarHBondContact O-N 3.22Å; M1563-I1565 VanDerWaalsContact C-N 3.31Å; M1563-I1565 PolarHBondContact O-N 3.25Å; M1563-K1566 PolarHBondContact O-N 3.24Å; M1563-Y1567 HydrophobicContact CB-CD2 4.39Å; M1563-Y1567 HydrophobicContact CB-CE2 4.19Å; M1563-Y1567 HydrophobicContact CG-CE2 4.34Å; M1563-Y1567 WeakPolarHBondContact O-CD2 3.32Å; M1563-Y1567 PolarHBondContact O-N 3.3Å; M1563-Y1567 HydrophobicContact SD-CE2 3.81Å
1564	G	43.7	Very low	47.6	Very low	43.4 Å²	43.4	110.2 Å²	110.2	45%	0.447	55%	0.552	S	S	.	*	H	α-helix	trans	-63.5	-30.8	179.3	0	0	0	0	0	113.9	K1546 S1560 Y1561 D1562 Y1567 M1568	K1546-G1564 PolarHBondContact NZ-O 3.21Å; S1560-G1564 PolarHBondContact O-N 3.19Å; Y1561-G1564 CarbonylContact O-C 3.41Å; Y1561-G1564 WeakPolarHBondContact O-CA 3.46Å; Y1561-G1564 PolarHBondContact O-N 3.25Å; Y1561-G1564 VanDerWaalsContact O-N 3.16Å; D1562-G1564 PolarHBondContact O-N 3.08Å; G1564-Y1567 PolarHBondContact O-N 2.99Å; G1564-M1568 VanDerWaalsContact O-CB 3.3Å; G1564-M1568 WeakPolarHBondContact O-CB 3.35Å; G1564-M1568 PolarHBondContact O-N 3.15Å; G1564-M1568 VanDerWaalsContact O-N 3.09Å
1565	I	48.3	Very low	48.9	Very low	82 Å²	82	105.5 Å²	105.5	42%	0.421	53%	0.534	S	S	.	.	H	α-helix	trans	-76.4	-41	177.5	-67.5	169	0	0	0	110.9	Y1561 D1562 M1563 Y1567 M1568 I1569	Y1561-I1565 HydrophobicContact CD1-CD1 4.42Å; Y1561-I1565 WeakPolarHBondContact O-CG1 3.39Å; Y1561-I1565 PolarHBondContact O-N 3.21Å; D1562-I1565 WeakPolarHBondContact O-CA 3.17Å; D1562-I1565 WeakPolarHBondContact O-CB 3.44Å; D1562-I1565 PolarHBondContact O-N 3.27Å; M1563-I1565 VanDerWaalsContact C-N 3.31Å; M1563-I1565 PolarHBondContact O-N 3.25Å; I1565-Y1567 PolarHBondContact O-N 3.26Å; I1565-M1568 PolarHBondContact O-N 2.97Å; I1565-I1569 HydrophobicContact CG2-CD1 3.9Å; I1565-I1569 WeakPolarHBondContact O-CB 3.14Å; I1565-I1569 WeakPolarHBondContact O-CD1 3.38Å; I1565-I1569 WeakPolarHBondContact O-CG1 3.4Å; I1565-I1569 PolarHBondContact O-N 3.17Å; I1565-I1569 VanDerWaalsContact O-N 3.14Å
1566	K	41.9	Very low	50	Low	106.6 Å²	106.6	102.9 Å²	102.9	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-59.4	-47.5	176.6	-76.3	165.3	175.7	157.2	0	112.1	D1562 M1563 M1568 I1569 I1570	D1562-K1566 WeakPolarHBondContact O-CB 3.3Å; D1562-K1566 VanDerWaalsContact O-CG 3.3Å; D1562-K1566 WeakPolarHBondContact O-CG 3.34Å; D1562-K1566 PolarHBondContact O-N 3.07Å; D1562-K1566 WeakPolarHBondContact OD1-CD 3.16Å; D1562-K1566 WeakPolarHBondContact OD1-CE 3.37Å; D1562-K1566 IonicContact OD1-NZ 2.67Å; D1562-K1566 PolarHBondContact OD1-NZ 3.44Å; D1562-K1566 VanDerWaalsContact OD1-NZ 3.11Å; D1562-K1566 VanDerWaalsContact OD2-CE 3.26Å; D1562-K1566 WeakPolarHBondContact OD2-CE 3.37Å; D1562-K1566 IonicContact OD2-NZ 2.98Å; D1562-K1566 PolarHBondContact OD2-NZ 3.08Å; M1563-K1566 PolarHBondContact O-N 3.24Å; K1566-M1568 VanDerWaalsContact C-N 3.28Å; K1566-M1568 PolarHBondContact O-N 3.36Å; K1566-I1569 PolarHBondContact O-N 3.26Å; K1566-I1570 HydrophobicContact CB-CD1 4.18Å; K1566-I1570 VanDerWaalsContact O-CB 3.28Å; K1566-I1570 WeakPolarHBondContact O-CB 3.29Å; K1566-I1570 WeakPolarHBondContact O-CD1 3.4Å; K1566-I1570 WeakPolarHBondContact O-CG1 3.43Å; K1566-I1570 PolarHBondContact O-N 2.87Å
1567	Y	45.2	Very low	51.2	Low	171.8 Å²	171.8	100 Å²	100	67%	0.674	50%	0.498	S	S	*	.	H	α-helix	trans	-68.5	-28.8	179.9	-78.1	-74.9	0	0	0	114.4	M1563 G1564 I1565 I1569 T1571	M1563-Y1567 HydrophobicContact CB-CD2 4.39Å; M1563-Y1567 HydrophobicContact CB-CE2 4.19Å; M1563-Y1567 HydrophobicContact CG-CE2 4.34Å; M1563-Y1567 WeakPolarHBondContact O-CD2 3.32Å; M1563-Y1567 PolarHBondContact O-N 3.3Å; M1563-Y1567 HydrophobicContact SD-CE2 3.81Å; G1564-Y1567 PolarHBondContact O-N 2.99Å; I1565-Y1567 PolarHBondContact O-N 3.26Å; Y1567-I1569 VanDerWaalsContact C-N 3.27Å; Y1567-I1569 PolarHBondContact O-N 3.04Å; Y1567-T1571 WeakPolarHBondContact O-CG2 3.37Å; Y1567-T1571 PolarHBondContact O-N 3.21Å; Y1567-T1571 PolarHBondContact O-OG1 3.43Å; Y1567-T1571 VanDerWaalsContact O-OG1 3.11Å
1568	M	45.9	Very low	52.8	Low	111.2 Å²	111.2	97.7 Å²	97.7	55%	0.548	50%	0.495	S	S	.	.	H	α-helix	trans	-78	-25.7	-179.7	-148.5	-170	70.7	0	0	113.6	I1542 G1564 I1565 K1566 T1571 P1572	I1542-M1568 HydrophobicContact CD1-CE 3.73Å; I1542-M1568 HydrophobicContact CD1-SD 3.54Å; I1542-M1568 VanDerWaalsContact CD1-SD 3.54Å; I1542-M1568 HydrophobicContact CG1-SD 3.96Å; I1542-M1568 HydrophobicContact CG2-CE 3.97Å; I1542-M1568 HydrophobicContact CG2-SD 4.31Å; G1564-M1568 VanDerWaalsContact O-CB 3.3Å; G1564-M1568 WeakPolarHBondContact O-CB 3.35Å; G1564-M1568 PolarHBondContact O-N 3.15Å; G1564-M1568 VanDerWaalsContact O-N 3.09Å; I1565-M1568 PolarHBondContact O-N 2.97Å; K1566-M1568 VanDerWaalsContact C-N 3.28Å; K1566-M1568 PolarHBondContact O-N 3.36Å; M1568-T1571 PolarHBondContact O-OG1 2.95Å; M1568-P1572 VanDerWaalsContact O-CD 3.28Å; M1568-P1572 WeakPolarHBondContact O-CD 3.33Å
1569	I	50.3	Low	54.3	Low	72.8 Å²	72.8	94.7 Å²	94.7	37%	0.373	48%	0.48	S	S	.	.	H	α-helix	trans	-86	-28.8	178	-69.1	174.6	0	0	0	111.8	I1565 K1566 Y1567 T1571 P1572 R1576 E1653	I1565-I1569 HydrophobicContact CG2-CD1 3.9Å; I1565-I1569 WeakPolarHBondContact O-CB 3.14Å; I1565-I1569 WeakPolarHBondContact O-CD1 3.38Å; I1565-I1569 WeakPolarHBondContact O-CG1 3.4Å; I1565-I1569 PolarHBondContact O-N 3.17Å; I1565-I1569 VanDerWaalsContact O-N 3.14Å; K1566-I1569 PolarHBondContact O-N 3.26Å; Y1567-I1569 VanDerWaalsContact C-N 3.27Å; Y1567-I1569 PolarHBondContact O-N 3.04Å; I1569-T1571 PolarHBondContact O-N 3.08Å; I1569-T1571 VanDerWaalsContact O-N 3.08Å; I1569-P1572 WeakPolarHBondContact O-CD 3.33Å; I1569-P1572 WeakPolarHBondContact O-CG 3.45Å; I1569-R1576 PolarHBondContact O-NH2 2.99Å; I1569-E1653 HydrophobicContact CG2-CG 4.12Å
1570	I	52.2	Low	55.5	Low	107 Å²	107	88.7 Å²	88.7	55%	0.549	46%	0.456	S	S	.	.			trans	-86.5	27	177.5	-57.2	166.6	0	0	0	110.5	K1566 P1572 Q1573 L1574	K1566-I1570 HydrophobicContact CB-CD1 4.18Å; K1566-I1570 VanDerWaalsContact O-CB 3.28Å; K1566-I1570 WeakPolarHBondContact O-CB 3.29Å; K1566-I1570 WeakPolarHBondContact O-CD1 3.4Å; K1566-I1570 WeakPolarHBondContact O-CG1 3.43Å; K1566-I1570 PolarHBondContact O-N 2.87Å; I1570-P1572 HydrophobicContact CG2-CB 4.41Å; I1570-P1572 WeakPolarHBondContact O-CD 3.39Å; I1570-Q1573 PolarHBondContact O-N 3.22Å; I1570-Q1573 VanDerWaalsContact O-N 3.1Å; I1570-L1574 PolarHBondContact O-N 3.18Å
1571	T	55.1	Low	56.8	Low	59.8 Å²	59.8	86.2 Å²	86.2	37%	0.367	44%	0.437	S	S	.	.			trans	-74	68.6	164.1	27.3	0	0	0	0	110.3	L1539 Y1567 M1568 I1569 Q1573 T1575 R1576	L1539-T1571 HydrophobicContact CD1-CG2 3.95Å; L1539-T1571 HydrophobicContact CD2-CG2 3.76Å; Y1567-T1571 WeakPolarHBondContact O-CG2 3.37Å; Y1567-T1571 PolarHBondContact O-N 3.21Å; Y1567-T1571 PolarHBondContact O-OG1 3.43Å; Y1567-T1571 VanDerWaalsContact O-OG1 3.11Å; M1568-T1571 PolarHBondContact O-OG1 2.95Å; I1569-T1571 PolarHBondContact O-N 3.08Å; I1569-T1571 VanDerWaalsContact O-N 3.08Å; T1571-Q1573 VanDerWaalsContact C-N 3.31Å; T1571-Q1573 PolarHBondContact O-N 3.19Å; T1571-T1575 PolarHBondContact O-N 3.08Å; T1571-T1575 PolarHBondContact O-OG1 3.11Å; T1571-R1576 PolarHBondContact OG1-NE 3.37Å; T1571-R1576 PolarHBondContact OG1-NH2 2.86Å
1572	P	60.1	Low	58.3	Low	58 Å²	58	85.5 Å²	85.5	38%	0.377	44%	0.44	S	S	.	.			trans	-64.9	105.2	-177.6	17.3	-23.3	0	0	0	111.8	M1568 I1569 I1570 L1574 T1575 R1576	M1568-P1572 VanDerWaalsContact O-CD 3.28Å; M1568-P1572 WeakPolarHBondContact O-CD 3.33Å; I1569-P1572 WeakPolarHBondContact O-CD 3.33Å; I1569-P1572 WeakPolarHBondContact O-CG 3.45Å; I1570-P1572 HydrophobicContact CG2-CB 4.41Å; I1570-P1572 WeakPolarHBondContact O-CD 3.39Å; P1572-L1574 HydrophobicContact CB-CB 4.15Å; P1572-L1574 PolarHBondContact O-N 3.03Å; P1572-L1574 VanDerWaalsContact O-N 3.11Å; P1572-T1575 WeakPolarHBondContact CA-OG1 3.34Å; P1572-T1575 WeakPolarHBondContact CD-OG1 3.44Å; P1572-T1575 HydrophobicContact CG-CG2 3.85Å; P1572-T1575 WeakPolarHBondContact O-CA 3.17Å; P1572-T1575 WeakPolarHBondContact O-CB 3.47Å; P1572-T1575 PolarHBondContact O-N 3.02Å; P1572-T1575 PolarHBondContact O-OG1 3.17Å; P1572-T1575 VanDerWaalsContact O-OG1 3.07Å; P1572-R1576 WeakPolarHBondContact O-CB 3.23Å; P1572-R1576 VanDerWaalsContact O-CG 3.27Å; P1572-R1576 WeakPolarHBondContact O-CG 3.43Å; P1572-R1576 PolarHBondContact O-N 3.15Å; P1572-R1576 VanDerWaalsContact O-N 3.12Å
1573	Q	60.3	Low	59.6	Low	67.6 Å²	67.6	84.7 Å²	84.7	32%	0.316	44%	0.435	S	S	.	.	H	α-helix	trans	-63.3	-37.3	178.4	-134.6	111.4	-14.6	0	0	111.6	I1570 T1571 T1575 R1576 F1577 I1646 E1653	I1570-Q1573 PolarHBondContact O-N 3.22Å; I1570-Q1573 VanDerWaalsContact O-N 3.1Å; T1571-Q1573 VanDerWaalsContact C-N 3.31Å; T1571-Q1573 PolarHBondContact O-N 3.19Å; Q1573-T1575 VanDerWaalsContact C-N 3.33Å; Q1573-T1575 PolarHBondContact O-N 3.29Å; Q1573-R1576 PolarHBondContact O-N 3.23Å; Q1573-F1577 VanDerWaalsContact O-CB 3.27Å; Q1573-F1577 WeakPolarHBondContact O-CB 3.41Å; Q1573-F1577 PolarHBondContact O-N 3.26Å; Q1573-I1646 PolarHBondContact NE2-O 3.35Å; Q1573-I1646 VanDerWaalsContact NE2-O 3.09Å; Q1573-E1653 PolarHBondContact NE2-OE2 2.99Å
1574	L	66.5	Low	61.1	Low	113.4 Å²	113.4	82.1 Å²	82.1	59%	0.594	42%	0.42	S	S	*	.	H	α-helix	trans	-59	-43.6	174	-172.9	67.5	0	0	0	112.7	I1570 P1572 F1577 L1578	I1570-L1574 PolarHBondContact O-N 3.18Å; P1572-L1574 HydrophobicContact CB-CB 4.15Å; P1572-L1574 PolarHBondContact O-N 3.03Å; P1572-L1574 VanDerWaalsContact O-N 3.11Å; L1574-F1577 PolarHBondContact O-N 3.22Å; L1574-L1578 HydrophobicContact CD1-CD1 4.33Å; L1574-L1578 HydrophobicContact CD1-CG 4.33Å; L1574-L1578 HydrophobicContact CG-CD1 4.05Å; L1574-L1578 HydrophobicContact CG-CG 4.4Å; L1574-L1578 WeakPolarHBondContact O-CB 3.43Å; L1574-L1578 VanDerWaalsContact O-CG 3.27Å; L1574-L1578 WeakPolarHBondContact O-CG 3.25Å; L1574-L1578 PolarHBondContact O-N 3.18Å
1575	T	66.8	Low	62.7	Low	61 Å²	61	83.8 Å²	83.8	37%	0.374	42%	0.418	S	S	.	.	H	α-helix	trans	-67.8	-39.4	178.3	33.6	0	0	0	0	112.3	T1571 P1572 Q1573 F1577 L1578 I1579	T1571-T1575 PolarHBondContact O-N 3.08Å; T1571-T1575 PolarHBondContact O-OG1 3.11Å; P1572-T1575 WeakPolarHBondContact CA-OG1 3.34Å; P1572-T1575 WeakPolarHBondContact CD-OG1 3.44Å; P1572-T1575 HydrophobicContact CG-CG2 3.85Å; P1572-T1575 WeakPolarHBondContact O-CA 3.17Å; P1572-T1575 WeakPolarHBondContact O-CB 3.47Å; P1572-T1575 PolarHBondContact O-N 3.02Å; P1572-T1575 PolarHBondContact O-OG1 3.17Å; P1572-T1575 VanDerWaalsContact O-OG1 3.07Å; Q1573-T1575 VanDerWaalsContact C-N 3.33Å; Q1573-T1575 PolarHBondContact O-N 3.29Å; T1575-F1577 VanDerWaalsContact C-N 3.32Å; T1575-L1578 PolarHBondContact O-N 3.04Å; T1575-I1579 HydrophobicContact CG2-CD1 4.11Å; T1575-I1579 WeakPolarHBondContact O-CB 3.35Å; T1575-I1579 WeakPolarHBondContact O-CD1 3.25Å; T1575-I1579 VanDerWaalsContact O-CG1 3.26Å; T1575-I1579 WeakPolarHBondContact O-CG1 3.43Å; T1575-I1579 PolarHBondContact O-N 3.03Å
1576	R	63.8	Low	64	Low	93.6 Å²	93.6	84.4 Å²	84.4	35%	0.353	42%	0.422	S	S	.	.	H	α-helix	trans	-64.3	-40.7	172.7	-71.7	-178.9	178.2	161.4	-0.7	112	I1569 T1571 P1572 Q1573 I1579 G1580 E1653	I1569-R1576 PolarHBondContact O-NH2 2.99Å; T1571-R1576 PolarHBondContact OG1-NE 3.37Å; T1571-R1576 PolarHBondContact OG1-NH2 2.86Å; P1572-R1576 WeakPolarHBondContact O-CB 3.23Å; P1572-R1576 VanDerWaalsContact O-CG 3.27Å; P1572-R1576 WeakPolarHBondContact O-CG 3.43Å; P1572-R1576 PolarHBondContact O-N 3.15Å; P1572-R1576 VanDerWaalsContact O-N 3.12Å; Q1573-R1576 PolarHBondContact O-N 3.23Å; R1576-I1579 PolarHBondContact O-N 3.46Å; R1576-G1580 PolarHBondContact O-N 3.1Å; R1576-E1653 IonicContact CZ-OE2 3.08Å; R1576-E1653 IonicContact NH1-OE2 3.11Å; R1576-E1653 PolarHBondContact NH1-OE2 3.05Å; R1576-E1653 VanDerWaalsContact NH1-OE2 3.1Å; R1576-E1653 IonicContact NH2-OE2 3.32Å; R1576-E1653 PolarHBondContact NH2-OE2 3.03Å
1577	F	70.1	Confident	65.4	Low	110.2 Å²	110.2	81.7 Å²	81.7	48%	0.483	41%	0.411	S	S	.	.	H	α-helix	trans	-62.9	-48	175	179.7	-98.1	0	0	0	111.8	Q1573 L1574 T1575 I1579 G1580 T1581 I1646	Q1573-F1577 VanDerWaalsContact O-CB 3.27Å; Q1573-F1577 WeakPolarHBondContact O-CB 3.41Å; Q1573-F1577 PolarHBondContact O-N 3.26Å; L1574-F1577 PolarHBondContact O-N 3.22Å; T1575-F1577 VanDerWaalsContact C-N 3.32Å; F1577-I1579 PolarHBondContact O-N 3.23Å; F1577-G1580 PolarHBondContact O-N 2.93Å; F1577-G1580 VanDerWaalsContact O-N 3.15Å; F1577-T1581 HydrophobicContact CD1-CG2 4.3Å; F1577-T1581 HydrophobicContact CD2-CG2 4.37Å; F1577-T1581 HydrophobicContact CE1-CG2 3.91Å; F1577-T1581 HydrophobicContact CE2-CG2 4.1Å; F1577-T1581 HydrophobicContact CG-CG2 4.5Å; F1577-T1581 HydrophobicContact CZ-CG2 3.8Å; F1577-T1581 WeakPolarHBondContact O-CB 3.29Å; F1577-T1581 WeakPolarHBondContact O-CG2 3.34Å; F1577-T1581 PolarHBondContact O-N 3.14Å; F1577-T1581 PolarHBondContact O-OG1 3.14Å; F1577-I1646 HydrophobicContact CD2-CD1 3.76Å; F1577-I1646 HydrophobicContact CD2-CG1 4.41Å; F1577-I1646 HydrophobicContact CE2-CD1 4.15Å
1578	L	72.8	Confident	66.8	Low	84.4 Å²	84.4	76.2 Å²	76.2	44%	0.442	39%	0.392	S	S	.	.	H	α-helix	trans	-60.4	-46.3	177.1	-73.2	169.4	0	0	0	111.8	L1574 T1575 G1580 T1581 M1582	L1574-L1578 HydrophobicContact CD1-CD1 4.33Å; L1574-L1578 HydrophobicContact CD1-CG 4.33Å; L1574-L1578 HydrophobicContact CG-CD1 4.05Å; L1574-L1578 HydrophobicContact CG-CG 4.4Å; L1574-L1578 WeakPolarHBondContact O-CB 3.43Å; L1574-L1578 VanDerWaalsContact O-CG 3.27Å; L1574-L1578 WeakPolarHBondContact O-CG 3.25Å; L1574-L1578 PolarHBondContact O-N 3.18Å; T1575-L1578 PolarHBondContact O-N 3.04Å; L1578-G1580 VanDerWaalsContact C-N 3.33Å; L1578-G1580 PolarHBondContact O-N 3.2Å; L1578-T1581 WeakPolarHBondContact CA-OG1 3.37Å; L1578-T1581 PolarHBondContact O-N 3.13Å; L1578-T1581 PolarHBondContact O-OG1 3.13Å; L1578-T1581 VanDerWaalsContact O-OG1 3.09Å; L1578-M1582 WeakPolarHBondContact O-CB 3.39Å; L1578-M1582 VanDerWaalsContact O-CG 3.24Å; L1578-M1582 WeakPolarHBondContact O-CG 3.3Å; L1578-M1582 PolarHBondContact O-N 3.05Å
1579	I	73.5	Confident	68.4	Low	91.6 Å²	91.6	75.3 Å²	75.3	47%	0.47	39%	0.389	S	S	.	.	H	α-helix	trans	-62.1	-43.8	176.3	-67.9	165.4	0	0	0	110.8	T1575 R1576 F1577 T1581 M1582 I1583	T1575-I1579 HydrophobicContact CG2-CD1 4.11Å; T1575-I1579 WeakPolarHBondContact O-CB 3.35Å; T1575-I1579 WeakPolarHBondContact O-CD1 3.25Å; T1575-I1579 VanDerWaalsContact O-CG1 3.26Å; T1575-I1579 WeakPolarHBondContact O-CG1 3.43Å; T1575-I1579 PolarHBondContact O-N 3.03Å; R1576-I1579 PolarHBondContact O-N 3.46Å; F1577-I1579 PolarHBondContact O-N 3.23Å; I1579-T1581 PolarHBondContact O-N 2.94Å; I1579-M1582 PolarHBondContact O-N 3.18Å; I1579-I1583 HydrophobicContact CG2-CD1 3.86Å; I1579-I1583 VanDerWaalsContact O-CG1 3.29Å; I1579-I1583 WeakPolarHBondContact O-CG1 3.43Å; I1579-I1583 PolarHBondContact O-N 3.33Å; I1579-I1583 VanDerWaalsContact O-N 3.12Å
1580	G	71.1	Confident	69.6	Low	24.6 Å²	24.6	74.7 Å²	74.7	25%	0.254	39%	0.386	S	S	.	.	H	α-helix	trans	-61.3	-44.3	176.3	0	0	0	0	0	113.3	R1576 F1577 L1578 M1582 I1583 F1584	R1576-G1580 PolarHBondContact O-N 3.1Å; F1577-G1580 PolarHBondContact O-N 2.93Å; F1577-G1580 VanDerWaalsContact O-N 3.15Å; L1578-G1580 VanDerWaalsContact C-N 3.33Å; L1578-G1580 PolarHBondContact O-N 3.2Å; G1580-M1582 VanDerWaalsContact C-N 3.35Å; G1580-M1582 PolarHBondContact O-N 3.43Å; G1580-I1583 PolarHBondContact O-N 3.04Å; G1580-F1584 WeakPolarHBondContact O-CB 3.34Å; G1580-F1584 PolarHBondContact O-N 3.24Å
1581	T	73.2	Confident	70.3	Confident	31 Å²	31	70.8 Å²	70.8	19%	0.19	37%	0.366	C	S	.	.	H	α-helix	trans	-68.2	-37.4	177.2	53.7	0	0	0	0	112.6	F1577 L1578 I1579 I1583 F1584 I1585 L1642	F1577-T1581 HydrophobicContact CD1-CG2 4.3Å; F1577-T1581 HydrophobicContact CD2-CG2 4.37Å; F1577-T1581 HydrophobicContact CE1-CG2 3.91Å; F1577-T1581 HydrophobicContact CE2-CG2 4.1Å; F1577-T1581 HydrophobicContact CG-CG2 4.5Å; F1577-T1581 HydrophobicContact CZ-CG2 3.8Å; F1577-T1581 WeakPolarHBondContact O-CB 3.29Å; F1577-T1581 WeakPolarHBondContact O-CG2 3.34Å; F1577-T1581 PolarHBondContact O-N 3.14Å; F1577-T1581 PolarHBondContact O-OG1 3.14Å; L1578-T1581 WeakPolarHBondContact CA-OG1 3.37Å; L1578-T1581 PolarHBondContact O-N 3.13Å; L1578-T1581 PolarHBondContact O-OG1 3.13Å; L1578-T1581 VanDerWaalsContact O-OG1 3.09Å; I1579-T1581 PolarHBondContact O-N 2.94Å; T1581-I1583 VanDerWaalsContact C-N 3.34Å; T1581-I1583 PolarHBondContact O-N 2.97Å; T1581-F1584 PolarHBondContact O-N 3.02Å; T1581-I1585 WeakPolarHBondContact O-CB 3.42Å; T1581-I1585 WeakPolarHBondContact O-CD1 3.42Å; T1581-I1585 VanDerWaalsContact O-CG1 3.27Å; T1581-I1585 WeakPolarHBondContact O-CG1 3.41Å; T1581-I1585 PolarHBondContact O-N 3.18Å; T1581-L1642 HydrophobicContact CG2-CD2 4.38Å
1582	M	75.3	Confident	71.1	Confident	111.4 Å²	111.4	72.7 Å²	72.7	55%	0.549	37%	0.374	S	S	.	.	H	α-helix	trans	-62.7	-42.8	173.4	-71	-62.8	115.3	0	0	112	L1578 I1579 G1580 F1584 I1585 L1586	L1578-M1582 WeakPolarHBondContact O-CB 3.39Å; L1578-M1582 VanDerWaalsContact O-CG 3.24Å; L1578-M1582 WeakPolarHBondContact O-CG 3.3Å; L1578-M1582 PolarHBondContact O-N 3.05Å; I1579-M1582 PolarHBondContact O-N 3.18Å; G1580-M1582 VanDerWaalsContact C-N 3.35Å; G1580-M1582 PolarHBondContact O-N 3.43Å; M1582-F1584 VanDerWaalsContact C-N 3.32Å; M1582-F1584 PolarHBondContact O-N 3.22Å; M1582-I1585 HydrophobicContact CE-CD1 3.91Å; M1582-I1585 PolarHBondContact O-N 3.15Å; M1582-L1586 VanDerWaalsContact O-CB 3.31Å; M1582-L1586 WeakPolarHBondContact O-CB 3.41Å; M1582-L1586 PolarHBondContact O-N 3.22Å
1583	I	74.2	Confident	71.8	Confident	63.6 Å²	63.6	77.3 Å²	77.3	33%	0.326	38%	0.383	S	S	.	.	H	α-helix	trans	-64.9	-39.4	176	-65.4	165.3	0	0	0	110.9	M1528 I1579 G1580 T1581 L1586 H1587	M1528-I1583 HydrophobicContact SD-CB 3.71Å; M1528-I1583 HydrophobicContact SD-CG2 3.33Å; M1528-I1583 WeakPolarHBondContact SD-CG2 3.44Å; I1579-I1583 HydrophobicContact CG2-CD1 3.86Å; I1579-I1583 VanDerWaalsContact O-CG1 3.29Å; I1579-I1583 WeakPolarHBondContact O-CG1 3.43Å; I1579-I1583 PolarHBondContact O-N 3.33Å; I1579-I1583 VanDerWaalsContact O-N 3.12Å; G1580-I1583 PolarHBondContact O-N 3.04Å; T1581-I1583 VanDerWaalsContact C-N 3.34Å; T1581-I1583 PolarHBondContact O-N 2.97Å; I1583-L1586 WeakPolarHBondContact O-CB 3.31Å; I1583-L1586 PolarHBondContact O-N 3.07Å; I1583-H1587 VanDerWaalsContact CG2-CE1 3.47Å; I1583-H1587 WeakPolarHBondContact CG2-CE1 3.5Å; I1583-H1587 PolarHBondContact O-N 3.09Å; I1583-H1587 PolarHBondContact O-ND1 3.34Å
1584	F	71.9	Confident	72.1	Confident	58.2 Å²	58.2	76 Å²	76	26%	0.255	38%	0.38	S	S	.	.	H	α-helix	trans	-65.3	-44.4	176.3	-179.8	-110.9	0	0	0	112.5	M1528 G1580 T1581 M1582 L1586 H1587 I1588 Q1638 F1639 L1642	M1528-F1584 HydrophobicContact CE-CB 4.31Å; G1580-F1584 WeakPolarHBondContact O-CB 3.34Å; G1580-F1584 PolarHBondContact O-N 3.24Å; T1581-F1584 PolarHBondContact O-N 3.02Å; M1582-F1584 VanDerWaalsContact C-N 3.32Å; M1582-F1584 PolarHBondContact O-N 3.22Å; F1584-L1586 VanDerWaalsContact C-N 3.33Å; F1584-L1586 PolarHBondContact O-N 3.31Å; F1584-H1587 WeakPolarHBondContact O-CB 3.01Å; F1584-H1587 PolarHBondContact O-N 3.03Å; F1584-I1588 HydrophobicContact CD1-CD1 3.92Å; F1584-I1588 HydrophobicContact CE1-CD1 3.51Å; F1584-I1588 VanDerWaalsContact CE1-CD1 3.43Å; F1584-I1588 HydrophobicContact CE1-CG1 4.48Å; F1584-I1588 HydrophobicContact CE2-CD1 4.34Å; F1584-I1588 HydrophobicContact CG-CD1 4.45Å; F1584-I1588 HydrophobicContact CZ-CD1 3.75Å; F1584-I1588 HydrophobicContact CZ-CG1 4.49Å; F1584-I1588 WeakPolarHBondContact O-CG1 3.28Å; F1584-I1588 PolarHBondContact O-N 3.19Å; F1584-Q1638 HydrophobicContact CD2-CB 4.16Å; F1584-Q1638 HydrophobicContact CE2-CB 3.78Å; F1584-F1639 HydrophobicContact CE2-CB 4.43Å; F1584-F1639 HydrophobicContact CZ-CB 4.36Å; F1584-F1639 HydrophobicContact CZ-CD2 4.48Å; F1584-L1642 HydrophobicContact CB-CD2 4.01Å; F1584-L1642 HydrophobicContact CD1-CD2 3.97Å; F1584-L1642 HydrophobicContact CD2-CD1 4.18Å; F1584-L1642 HydrophobicContact CD2-CD2 4.24Å; F1584-L1642 HydrophobicContact CE1-CD1 4.38Å; F1584-L1642 HydrophobicContact CE1-CD2 4.44Å; F1584-L1642 HydrophobicContact CE2-CB 4.45Å; F1584-L1642 HydrophobicContact CE2-CD1 3.98Å; F1584-L1642 HydrophobicContact CG-CD1 4.49Å; F1584-L1642 HydrophobicContact CG-CD2 3.83Å; F1584-L1642 HydrophobicContact CZ-CD1 4.08Å; F1584-L1642 HydrophobicContact CZ-CD2 4.34Å
1585	I	78.8	Confident	72.1	Confident	79.6 Å²	79.6	72.5 Å²	72.5	41%	0.408	36%	0.363	S	S	.	.	H	α-helix	trans	-60.9	-43.5	174.3	-69.6	162.7	0	0	0	110.6	T1581 M1582 H1587 I1588 I1589	T1581-I1585 WeakPolarHBondContact O-CB 3.42Å; T1581-I1585 WeakPolarHBondContact O-CD1 3.42Å; T1581-I1585 VanDerWaalsContact O-CG1 3.27Å; T1581-I1585 WeakPolarHBondContact O-CG1 3.41Å; T1581-I1585 PolarHBondContact O-N 3.18Å; M1582-I1585 HydrophobicContact CE-CD1 3.91Å; M1582-I1585 PolarHBondContact O-N 3.15Å; I1585-H1587 VanDerWaalsContact C-N 3.32Å; I1585-H1587 PolarHBondContact O-N 3.05Å; I1585-I1588 PolarHBondContact O-N 3.1Å; I1585-I1589 HydrophobicContact CG2-CD1 3.87Å; I1585-I1589 HydrophobicContact CG2-CG1 4.45Å; I1585-I1589 VanDerWaalsContact O-CG1 3.31Å; I1585-I1589 WeakPolarHBondContact O-CG1 3.36Å; I1585-I1589 PolarHBondContact O-N 3.16Å
1586	L	75.7	Confident	72.1	Confident	94.8 Å²	94.8	75.8 Å²	75.8	50%	0.496	37%	0.374	S	S	.	.	H	α-helix	trans	-60.7	-40.2	176	-173.3	104.5	0	0	0	112	M1582 I1583 F1584 I1589 I1590	M1582-L1586 VanDerWaalsContact O-CB 3.31Å; M1582-L1586 WeakPolarHBondContact O-CB 3.41Å; M1582-L1586 PolarHBondContact O-N 3.22Å; I1583-L1586 WeakPolarHBondContact O-CB 3.31Å; I1583-L1586 PolarHBondContact O-N 3.07Å; F1584-L1586 VanDerWaalsContact C-N 3.33Å; F1584-L1586 PolarHBondContact O-N 3.31Å; L1586-I1589 PolarHBondContact O-N 3.26Å; L1586-I1590 HydrophobicContact CD2-CD1 4.01Å; L1586-I1590 HydrophobicContact CG-CD1 4.27Å; L1586-I1590 VanDerWaalsContact O-CG1 3.3Å; L1586-I1590 WeakPolarHBondContact O-CG1 3.36Å; L1586-I1590 PolarHBondContact O-N 3.23Å
1587	H	70.7	Confident	72.1	Confident	50 Å²	50	78.8 Å²	78.8	23%	0.231	39%	0.386	C	S	.	.	H	α-helix	trans	-64.7	-42.8	174.4	-80.6	72.5	0	0	0	112.2	G1524 S1527 I1583 F1584 I1585 I1589 I1590 I1591	G1524-H1587 WeakPolarHBondContact CA-NE2 3.4Å; S1527-H1587 WeakPolarHBondContact CB-NE2 3.19Å; S1527-H1587 PolarHBondContact OG-CE1 2.89Å; S1527-H1587 VanDerWaalsContact OG-CE1 3.25Å; S1527-H1587 PolarHBondContact OG-NE2 2.85Å; I1583-H1587 VanDerWaalsContact CG2-CE1 3.47Å; I1583-H1587 WeakPolarHBondContact CG2-CE1 3.5Å; I1583-H1587 PolarHBondContact O-N 3.09Å; I1583-H1587 PolarHBondContact O-ND1 3.34Å; F1584-H1587 WeakPolarHBondContact O-CB 3.01Å; F1584-H1587 PolarHBondContact O-N 3.03Å; I1585-H1587 VanDerWaalsContact C-N 3.32Å; I1585-H1587 PolarHBondContact O-N 3.05Å; H1587-I1589 VanDerWaalsContact C-N 3.32Å; H1587-I1589 PolarHBondContact O-N 2.83Å; H1587-I1590 PolarHBondContact O-N 3.16Å; H1587-I1591 HydrophobicContact CB-CD1 4.45Å; H1587-I1591 VanDerWaalsContact O-CD1 3.26Å; H1587-I1591 WeakPolarHBondContact O-CD1 3.37Å; H1587-I1591 VanDerWaalsContact O-CG1 3.24Å; H1587-I1591 WeakPolarHBondContact O-CG1 3.34Å; H1587-I1591 PolarHBondContact O-N 3.29Å
1588	I	75	Confident	71.6	Confident	55.4 Å²	55.4	77.7 Å²	77.7	28%	0.284	39%	0.386	S	S	.	.	H	α-helix	trans	-60	-43.5	174.8	-70.2	170.7	0	0	0	110.8	F1584 I1585 I1590 I1591 L1592 L1635	F1584-I1588 HydrophobicContact CD1-CD1 3.92Å; F1584-I1588 HydrophobicContact CE1-CD1 3.51Å; F1584-I1588 VanDerWaalsContact CE1-CD1 3.43Å; F1584-I1588 HydrophobicContact CE1-CG1 4.48Å; F1584-I1588 HydrophobicContact CE2-CD1 4.34Å; F1584-I1588 HydrophobicContact CG-CD1 4.45Å; F1584-I1588 HydrophobicContact CZ-CD1 3.75Å; F1584-I1588 HydrophobicContact CZ-CG1 4.49Å; F1584-I1588 WeakPolarHBondContact O-CG1 3.28Å; F1584-I1588 PolarHBondContact O-N 3.19Å; I1585-I1588 PolarHBondContact O-N 3.1Å; I1588-I1590 PolarHBondContact O-N 3.26Å; I1588-I1591 PolarHBondContact O-N 3.34Å; I1588-L1592 HydrophobicContact CG2-CD1 3.82Å; I1588-L1592 HydrophobicContact CG2-CG 4.31Å; I1588-L1592 WeakPolarHBondContact O-CB 3.38Å; I1588-L1592 WeakPolarHBondContact O-CG 3.32Å; I1588-L1592 PolarHBondContact O-N 3.11Å; I1588-L1635 HydrophobicContact CD1-CD2 4.46Å; I1588-L1635 HydrophobicContact CG1-CD2 4Å
1589	I	78.6	Confident	70.8	Confident	93.8 Å²	93.8	75.1 Å²	75.1	48%	0.481	38%	0.379	S	S	.	.	H	α-helix	trans	-61	-44.1	176.3	-68.4	165.6	0	0	0	110.9	I1585 L1586 H1587 I1591 L1592 W1593	I1585-I1589 HydrophobicContact CG2-CD1 3.87Å; I1585-I1589 HydrophobicContact CG2-CG1 4.45Å; I1585-I1589 VanDerWaalsContact O-CG1 3.31Å; I1585-I1589 WeakPolarHBondContact O-CG1 3.36Å; I1585-I1589 PolarHBondContact O-N 3.16Å; L1586-I1589 PolarHBondContact O-N 3.26Å; H1587-I1589 VanDerWaalsContact C-N 3.32Å; H1587-I1589 PolarHBondContact O-N 2.83Å; I1589-I1591 VanDerWaalsContact C-N 3.32Å; I1589-I1591 PolarHBondContact O-N 2.91Å; I1589-L1592 PolarHBondContact O-N 3.17Å; I1589-W1593 VanDerWaalsContact O-CB 3.26Å; I1589-W1593 WeakPolarHBondContact O-CB 3.28Å; I1589-W1593 PolarHBondContact O-N 3.08Å
1590	I	74.8	Confident	69.9	Low	60 Å²	60	73.4 Å²	73.4	31%	0.308	37%	0.371	S	S	.	.	H	α-helix	trans	-62.8	-41.4	176.5	-69.2	166	0	0	0	111.3	F1520 I1523 L1586 H1587 I1588 W1593 T1594	F1520-I1590 HydrophobicContact CE1-CG2 4.09Å; I1523-I1590 HydrophobicContact CG2-CD1 4.41Å; I1523-I1590 HydrophobicContact CG2-CG2 4.31Å; L1586-I1590 HydrophobicContact CD2-CD1 4.01Å; L1586-I1590 HydrophobicContact CG-CD1 4.27Å; L1586-I1590 VanDerWaalsContact O-CG1 3.3Å; L1586-I1590 WeakPolarHBondContact O-CG1 3.36Å; L1586-I1590 PolarHBondContact O-N 3.23Å; H1587-I1590 PolarHBondContact O-N 3.16Å; I1588-I1590 PolarHBondContact O-N 3.26Å; I1590-W1593 WeakPolarHBondContact O-CB 3.4Å; I1590-W1593 PolarHBondContact O-N 3.34Å; I1590-T1594 HydrophobicContact CG2-CG2 4.4Å; I1590-T1594 WeakPolarHBondContact O-CG2 3.39Å; I1590-T1594 PolarHBondContact O-N 3.1Å; I1590-T1594 PolarHBondContact O-OG1 3.09Å
1591	I	68.8	Low	69.3	Low	24.4 Å²	24.4	78.5 Å²	78.5	13%	0.125	39%	0.386	C	S	.	.	H	α-helix	trans	-66.7	-45.6	177.8	-66.6	164.4	0	0	0	110.8	F1520 H1587 I1588 I1589 W1593 T1594 V1595 F1631 Q1638	F1520-I1591 HydrophobicContact CE1-CD1 4.47Å; F1520-I1591 HydrophobicContact CE1-CG1 4.28Å; F1520-I1591 HydrophobicContact CE1-CG2 4.33Å; F1520-I1591 HydrophobicContact CZ-CG2 4.45Å; H1587-I1591 HydrophobicContact CB-CD1 4.45Å; H1587-I1591 VanDerWaalsContact O-CD1 3.26Å; H1587-I1591 WeakPolarHBondContact O-CD1 3.37Å; H1587-I1591 VanDerWaalsContact O-CG1 3.24Å; H1587-I1591 WeakPolarHBondContact O-CG1 3.34Å; H1587-I1591 PolarHBondContact O-N 3.29Å; I1588-I1591 PolarHBondContact O-N 3.34Å; I1589-I1591 VanDerWaalsContact C-N 3.32Å; I1589-I1591 PolarHBondContact O-N 2.91Å; I1591-W1593 VanDerWaalsContact C-N 3.28Å; I1591-W1593 PolarHBondContact O-N 3.27Å; I1591-T1594 WeakPolarHBondContact CA-OG1 3.45Å; I1591-T1594 PolarHBondContact O-N 2.92Å; I1591-T1594 VanDerWaalsContact O-N 3.14Å; I1591-T1594 PolarHBondContact O-OG1 3.16Å; I1591-T1594 VanDerWaalsContact O-OG1 3.11Å; I1591-V1595 HydrophobicContact CG2-CG2 4.38Å; I1591-V1595 WeakPolarHBondContact O-CB 3.41Å; I1591-V1595 VanDerWaalsContact O-CG2 3.29Å; I1591-V1595 WeakPolarHBondContact O-CG2 3.35Å; I1591-V1595 PolarHBondContact O-N 3.25Å; I1591-F1631 HydrophobicContact CG2-CD2 4.2Å; I1591-F1631 HydrophobicContact CG2-CE2 3.78Å; I1591-Q1638 VanDerWaalsContact CD1-CD 3.44Å; I1591-Q1638 HydrophobicContact CD1-CG 4.29Å; I1591-Q1638 VanDerWaalsContact CD1-NE2 3.32Å
1592	L	71.3	Confident	68.4	Low	100.8 Å²	100.8	84.9 Å²	84.9	53%	0.528	41%	0.408	S	S	.	.	H	α-helix	trans	-60.9	-38.4	174.8	-70.9	171	0	0	0	111.4	I1588 I1589 V1595 H1596 F1631	I1588-L1592 HydrophobicContact CG2-CD1 3.82Å; I1588-L1592 HydrophobicContact CG2-CG 4.31Å; I1588-L1592 WeakPolarHBondContact O-CB 3.38Å; I1588-L1592 WeakPolarHBondContact O-CG 3.32Å; I1588-L1592 PolarHBondContact O-N 3.11Å; I1589-L1592 PolarHBondContact O-N 3.17Å; L1592-V1595 PolarHBondContact O-N 3.17Å; L1592-H1596 VanDerWaalsContact O-CB 3.28Å; L1592-H1596 WeakPolarHBondContact O-CB 3.43Å; L1592-H1596 PolarHBondContact O-N 3.3Å; L1592-F1631 HydrophobicContact CD2-CZ 4.35Å
1593	W	74	Confident	67.5	Low	154.6 Å²	154.6	85.1 Å²	85.1	59%	0.586	41%	0.41	S	S	*	.	H	α-helix	trans	-64.6	-44.3	175.5	-171.9	12.6	0	0	0	112	I1589 I1590 I1591 V1595 H1596 Y1597	I1589-W1593 VanDerWaalsContact O-CB 3.26Å; I1589-W1593 WeakPolarHBondContact O-CB 3.28Å; I1589-W1593 PolarHBondContact O-N 3.08Å; I1590-W1593 WeakPolarHBondContact O-CB 3.4Å; I1590-W1593 PolarHBondContact O-N 3.34Å; I1591-W1593 VanDerWaalsContact C-N 3.28Å; I1591-W1593 PolarHBondContact O-N 3.27Å; W1593-V1595 VanDerWaalsContact C-N 3.34Å; W1593-V1595 PolarHBondContact O-N 3.46Å; W1593-H1596 PolarHBondContact O-N 3.17Å; W1593-Y1597 AromaticContact CD1-CD2 3.4Å; W1593-Y1597 VanDerWaalsContact CD1-CD2 3.47Å; W1593-Y1597 AromaticContact CD1-CE2 3.69Å; W1593-Y1597 AromaticContact CD1-CG 3.78Å; W1593-Y1597 HydrophobicContact CD2-CE2 4.37Å; W1593-Y1597 AromaticContact CE2-CE2 3.76Å; W1593-Y1597 HydrophobicContact CG-CD2 4.28Å; W1593-Y1597 HydrophobicContact CG-CE2 4.35Å; W1593-Y1597 HydrophobicContact CZ2-CE2 4.28Å; W1593-Y1597 AromaticContact NE1-CD2 3.23Å; W1593-Y1597 AromaticContact NE1-CE2 3.2Å; W1593-Y1597 VanDerWaalsContact NE1-CE2 3.3Å; W1593-Y1597 AromaticContact NE1-CG 3.74Å; W1593-Y1597 AromaticContact NE1-CZ 3.76Å; W1593-Y1597 WeakPolarHBondContact O-CB 3.23Å; W1593-Y1597 PolarHBondContact O-N 3.22Å
1594	T	67.5	Low	66.6	Low	38.8 Å²	38.8	85.9 Å²	85.9	24%	0.238	42%	0.415	C	S	.	.	H	α-helix	trans	-67.2	-37	176.1	60.1	0	0	0	0	112.6	F1520 I1523 I1590 I1591 H1596 Y1597 N1598	F1520-T1594 HydrophobicContact CD1-CG2 4.34Å; F1520-T1594 HydrophobicContact CE1-CG2 3.35Å; F1520-T1594 WeakPolarHBondContact CE1-OG1 3.2Å; F1520-T1594 HydrophobicContact CE2-CG2 4.23Å; F1520-T1594 HydrophobicContact CZ-CG2 3.75Å; F1520-T1594 WeakPolarHBondContact CZ-OG1 3.34Å; I1523-T1594 HydrophobicContact CD1-CG2 4.26Å; I1590-T1594 HydrophobicContact CG2-CG2 4.4Å; I1590-T1594 WeakPolarHBondContact O-CG2 3.39Å; I1590-T1594 PolarHBondContact O-N 3.1Å; I1590-T1594 PolarHBondContact O-OG1 3.09Å; I1591-T1594 WeakPolarHBondContact CA-OG1 3.45Å; I1591-T1594 PolarHBondContact O-N 2.92Å; I1591-T1594 VanDerWaalsContact O-N 3.14Å; I1591-T1594 PolarHBondContact O-OG1 3.16Å; I1591-T1594 VanDerWaalsContact O-OG1 3.11Å; T1594-H1596 VanDerWaalsContact C-N 3.33Å; T1594-H1596 PolarHBondContact O-N 2.85Å; T1594-Y1597 PolarHBondContact O-N 2.88Å; T1594-N1598 VanDerWaalsContact O-CB 3.26Å; T1594-N1598 WeakPolarHBondContact O-CB 3.38Å; T1594-N1598 VanDerWaalsContact O-CG 3.24Å; T1594-N1598 PolarHBondContact O-N 3.21Å; T1594-N1598 PolarHBondContact O-ND2 2.95Å
1595	V	66.6	Low	65.8	Low	40.4 Å²	40.4	89 Å²	89	25%	0.245	43%	0.43	C	S	.	.	H	α-helix	trans	-66.5	-39.7	174.1	173.6	0	0	0	0	111	F1520 I1591 L1592 W1593 N1598 G1599 F1627 F1631	F1520-V1595 HydrophobicContact CZ-CG2 4.42Å; I1591-V1595 HydrophobicContact CG2-CG2 4.38Å; I1591-V1595 WeakPolarHBondContact O-CB 3.41Å; I1591-V1595 VanDerWaalsContact O-CG2 3.29Å; I1591-V1595 WeakPolarHBondContact O-CG2 3.35Å; I1591-V1595 PolarHBondContact O-N 3.25Å; L1592-V1595 PolarHBondContact O-N 3.17Å; W1593-V1595 VanDerWaalsContact C-N 3.34Å; W1593-V1595 PolarHBondContact O-N 3.46Å; V1595-N1598 PolarHBondContact O-N 3.1Å; V1595-G1599 PolarHBondContact O-N 3.08Å; V1595-F1627 HydrophobicContact CG1-CE1 4.42Å; V1595-F1627 HydrophobicContact CG1-CZ 4.19Å; V1595-F1627 HydrophobicContact CG2-CZ 3.99Å; V1595-F1631 HydrophobicContact CG2-CE2 4.42Å
1596	H	65.6	Low	64.4	Low	130.4 Å²	130.4	94.6 Å²	94.6	60%	0.604	45%	0.446	S	S	*	.	H	α-helix	trans	-67.5	-49.9	177	-175.5	-82.3	0	0	0	112.4	L1592 W1593 T1594 N1598 G1599 L1600	L1592-H1596 VanDerWaalsContact O-CB 3.28Å; L1592-H1596 WeakPolarHBondContact O-CB 3.43Å; L1592-H1596 PolarHBondContact O-N 3.3Å; W1593-H1596 PolarHBondContact O-N 3.17Å; T1594-H1596 VanDerWaalsContact C-N 3.33Å; T1594-H1596 PolarHBondContact O-N 2.85Å; H1596-N1598 VanDerWaalsContact C-N 3.29Å; H1596-N1598 PolarHBondContact O-N 2.99Å; H1596-G1599 PolarHBondContact O-N 3.13Å; H1596-G1599 VanDerWaalsContact O-N 3.17Å; H1596-L1600 VanDerWaalsContact O-CB 3.25Å; H1596-L1600 WeakPolarHBondContact O-CB 3.44Å; H1596-L1600 PolarHBondContact O-N 3.08Å
1597	Y	64.9	Low	63.1	Low	156 Å²	156	95.8 Å²	95.8	61%	0.612	45%	0.453	S	S	*	.	H	α-helix	trans	-69.3	-33	-176.9	-100.5	-108.5	0	0	0	113.4	W1593 T1594 G1599 L1600 F1601	W1593-Y1597 AromaticContact CD1-CD2 3.4Å; W1593-Y1597 VanDerWaalsContact CD1-CD2 3.47Å; W1593-Y1597 AromaticContact CD1-CE2 3.69Å; W1593-Y1597 AromaticContact CD1-CG 3.78Å; W1593-Y1597 HydrophobicContact CD2-CE2 4.37Å; W1593-Y1597 AromaticContact CE2-CE2 3.76Å; W1593-Y1597 HydrophobicContact CG-CD2 4.28Å; W1593-Y1597 HydrophobicContact CG-CE2 4.35Å; W1593-Y1597 HydrophobicContact CZ2-CE2 4.28Å; W1593-Y1597 AromaticContact NE1-CD2 3.23Å; W1593-Y1597 AromaticContact NE1-CE2 3.2Å; W1593-Y1597 VanDerWaalsContact NE1-CE2 3.3Å; W1593-Y1597 AromaticContact NE1-CG 3.74Å; W1593-Y1597 AromaticContact NE1-CZ 3.76Å; W1593-Y1597 WeakPolarHBondContact O-CB 3.23Å; W1593-Y1597 PolarHBondContact O-N 3.22Å; T1594-Y1597 PolarHBondContact O-N 2.88Å; Y1597-G1599 VanDerWaalsContact C-N 3.34Å; Y1597-G1599 PolarHBondContact O-N 3.02Å; Y1597-L1600 PolarHBondContact O-N 3.27Å; Y1597-F1601 WeakPolarHBondContact O-CB 3.39Å; Y1597-F1601 PolarHBondContact O-N 3.28Å
1598	N	59.3	Low	61.9	Low	88.8 Å²	88.8	103.6 Å²	103.6	48%	0.475	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-8.1	176.9	-71.7	-31.2	0	0	0	112.9	F1516 T1594 V1595 H1596 L1600 F1601 Y1602	F1516-N1598 HydrophobicContact CE1-CB 3.56Å; F1516-N1598 HydrophobicContact CZ-CB 3.66Å; F1516-N1598 WeakPolarHBondContact CZ-OD1 3.35Å; T1594-N1598 VanDerWaalsContact O-CB 3.26Å; T1594-N1598 WeakPolarHBondContact O-CB 3.38Å; T1594-N1598 VanDerWaalsContact O-CG 3.24Å; T1594-N1598 PolarHBondContact O-N 3.21Å; T1594-N1598 PolarHBondContact O-ND2 2.95Å; V1595-N1598 PolarHBondContact O-N 3.1Å; H1596-N1598 VanDerWaalsContact C-N 3.29Å; H1596-N1598 PolarHBondContact O-N 2.99Å; N1598-L1600 PolarHBondContact O-N 3.01Å; N1598-F1601 PolarHBondContact O-N 3Å; N1598-Y1602 WeakPolarHBondContact O-CD2 3.28Å; N1598-Y1602 PolarHBondContact O-N 2.9Å
1599	G	56.4	Low	60.6	Low	28.8 Å²	28.8	108.7 Å²	108.7	30%	0.297	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	25.5	-14.4	172.3	0	0	0	0	0	114.7	V1595 H1596 Y1597 F1601 Y1602 I1603	V1595-G1599 PolarHBondContact O-N 3.08Å; H1596-G1599 PolarHBondContact O-N 3.13Å; H1596-G1599 VanDerWaalsContact O-N 3.17Å; Y1597-G1599 VanDerWaalsContact C-N 3.34Å; Y1597-G1599 PolarHBondContact O-N 3.02Å; G1599-F1601 VanDerWaalsContact C-N 3.29Å; G1599-F1601 PolarHBondContact O-N 2.96Å; G1599-Y1602 WeakPolarHBondContact O-CA 3.15Å; G1599-Y1602 VanDerWaalsContact O-CB 3.27Å; G1599-Y1602 WeakPolarHBondContact O-CB 3.17Å; G1599-Y1602 PolarHBondContact O-N 2.95Å; G1599-I1603 WeakPolarHBondContact O-CG1 3.12Å; G1599-I1603 PolarHBondContact O-N 3.05Å
1600	L	54.9	Low	58.9	Low	55.8 Å²	55.8	112.7 Å²	112.7	29%	0.292	52%	0.518	S	S	.	.	H	α-helix	trans	-64.8	-32.7	-177.6	-159.1	123.5	0	0	0	111.9	H1596 Y1597 N1598 Y1602 I1603 L1604 F1627	H1596-L1600 VanDerWaalsContact O-CB 3.25Å; H1596-L1600 WeakPolarHBondContact O-CB 3.44Å; H1596-L1600 PolarHBondContact O-N 3.08Å; Y1597-L1600 PolarHBondContact O-N 3.27Å; N1598-L1600 PolarHBondContact O-N 3.01Å; L1600-Y1602 VanDerWaalsContact C-N 3.31Å; L1600-Y1602 PolarHBondContact O-N 3.11Å; L1600-I1603 PolarHBondContact O-N 3.22Å; L1600-L1604 HydrophobicContact CD2-CD1 3.86Å; L1600-L1604 HydrophobicContact CD2-CG 4.34Å; L1600-L1604 WeakPolarHBondContact O-CB 3.46Å; L1600-L1604 VanDerWaalsContact O-CG 3.3Å; L1600-L1604 WeakPolarHBondContact O-CG 3.41Å; L1600-L1604 PolarHBondContact O-N 3.21Å; L1600-F1627 HydrophobicContact CD1-CD2 3.98Å; L1600-F1627 HydrophobicContact CD1-CE2 3.64Å; L1600-F1627 HydrophobicContact CD1-CZ 4.28Å; L1600-F1627 HydrophobicContact CD2-CD1 4.11Å; L1600-F1627 HydrophobicContact CD2-CD2 3.96Å; L1600-F1627 HydrophobicContact CD2-CE1 3.93Å; L1600-F1627 HydrophobicContact CD2-CE2 3.78Å; L1600-F1627 HydrophobicContact CD2-CG 4.13Å; L1600-F1627 HydrophobicContact CD2-CZ 3.77Å; L1600-F1627 HydrophobicContact CG-CE2 4.38Å
1601	F	57.2	Low	57.4	Low	132.6 Å²	132.6	118 Å²	118	58%	0.582	54%	0.541	S	S	*	.	H	α-helix	trans	-63.8	-39	173.3	-153.5	-87.4	0	0	0	112.3	Y1597 N1598 G1599 I1603 L1604 Q1605	Y1597-F1601 WeakPolarHBondContact O-CB 3.39Å; Y1597-F1601 PolarHBondContact O-N 3.28Å; N1598-F1601 PolarHBondContact O-N 3Å; G1599-F1601 VanDerWaalsContact C-N 3.29Å; G1599-F1601 PolarHBondContact O-N 2.96Å; F1601-I1603 VanDerWaalsContact C-N 3.33Å; F1601-I1603 PolarHBondContact O-N 2.99Å; F1601-L1604 PolarHBondContact O-N 3.14Å; F1601-Q1605 VanDerWaalsContact CE1-OE1 3.29Å; F1601-Q1605 WeakPolarHBondContact O-CB 3.27Å; F1601-Q1605 PolarHBondContact O-N 3.13Å
1602	Y	54.7	Low	56.2	Low	164.2 Å²	164.2	123.7 Å²	123.7	64%	0.644	57%	0.572	S	S	*	*	H	α-helix	trans	-64.6	-38.8	176.5	-128.4	-83.4	0	0	0	112.1	N1598 G1599 L1600 L1604 Q1605 W1606 F1627	N1598-Y1602 WeakPolarHBondContact O-CD2 3.28Å; N1598-Y1602 PolarHBondContact O-N 2.9Å; G1599-Y1602 WeakPolarHBondContact O-CA 3.15Å; G1599-Y1602 VanDerWaalsContact O-CB 3.27Å; G1599-Y1602 WeakPolarHBondContact O-CB 3.17Å; G1599-Y1602 PolarHBondContact O-N 2.95Å; L1600-Y1602 VanDerWaalsContact C-N 3.31Å; L1600-Y1602 PolarHBondContact O-N 3.11Å; Y1602-L1604 VanDerWaalsContact C-N 3.31Å; Y1602-L1604 PolarHBondContact O-N 2.83Å; Y1602-Q1605 PolarHBondContact O-N 3.11Å; Y1602-W1606 VanDerWaalsContact O-CB 3.27Å; Y1602-W1606 WeakPolarHBondContact O-CB 3.44Å; Y1602-W1606 PolarHBondContact O-N 3.43Å; Y1602-W1606 VanDerWaalsContact O-N 3.1Å; Y1602-F1627 HydrophobicContact CE2-CE2 4.16Å
1603	I	57.3	Low	54.9	Low	115.2 Å²	115.2	123.4 Å²	123.4	59%	0.591	58%	0.579	S	S	*	*	H	α-helix	trans	-68	-33.9	176.2	-65.2	169.4	0	0	0	111.5	G1599 L1600 F1601 N1607	G1599-I1603 WeakPolarHBondContact O-CG1 3.12Å; G1599-I1603 PolarHBondContact O-N 3.05Å; L1600-I1603 PolarHBondContact O-N 3.22Å; F1601-I1603 VanDerWaalsContact C-N 3.33Å; F1601-I1603 PolarHBondContact O-N 2.99Å; I1603-N1607 WeakPolarHBondContact O-CB 3.49Å; I1603-N1607 PolarHBondContact O-N 3.14Å; I1603-N1607 PolarHBondContact O-ND2 3.1Å
1604	L	54.2	Low	53.4	Low	81.4 Å²	81.4	122.8 Å²	122.8	43%	0.426	59%	0.587	S	S	.	*	H	α-helix	trans	-75.8	-29.1	178	-71.4	172.1	0	0	0	113.1	L1600 F1601 Y1602 N1607 Y1608 Q1624	L1600-L1604 HydrophobicContact CD2-CD1 3.86Å; L1600-L1604 HydrophobicContact CD2-CG 4.34Å; L1600-L1604 WeakPolarHBondContact O-CB 3.46Å; L1600-L1604 VanDerWaalsContact O-CG 3.3Å; L1600-L1604 WeakPolarHBondContact O-CG 3.41Å; L1600-L1604 PolarHBondContact O-N 3.21Å; F1601-L1604 PolarHBondContact O-N 3.14Å; Y1602-L1604 VanDerWaalsContact C-N 3.31Å; Y1602-L1604 PolarHBondContact O-N 2.83Å; L1604-N1607 PolarHBondContact O-N 3.37Å; L1604-Y1608 PolarHBondContact O-N 2.94Å; L1604-Y1608 VanDerWaalsContact O-N 3.13Å; L1604-Q1624 HydrophobicContact CD2-CG 3.64Å; L1604-Q1624 VanDerWaalsContact CD2-CG 3.4Å
1605	Q	56.2	Low	52.2	Low	123.6 Å²	123.6	129.8 Å²	129.8	58%	0.578	62%	0.616	S	S	*	*	H	α-helix	trans	-83.8	-28.7	-177.1	-170.1	166.2	-12.6	0	0	113.2	F1601 Y1602 N1607 Y1608 E1609	F1601-Q1605 VanDerWaalsContact CE1-OE1 3.29Å; F1601-Q1605 WeakPolarHBondContact O-CB 3.27Å; F1601-Q1605 PolarHBondContact O-N 3.13Å; Y1602-Q1605 PolarHBondContact O-N 3.11Å; Q1605-N1607 VanDerWaalsContact C-N 3.31Å; Q1605-N1607 PolarHBondContact O-N 3.13Å; Q1605-Y1608 PolarHBondContact O-N 2.97Å; Q1605-E1609 PolarHBondContact O-N 3.22Å
1606	W	48	Very low	50.7	Low	197 Å²	197	134.9 Å²	134.9	75%	0.746	64%	0.642	S	S	*	*	H	α-helix	trans	-73.6	-6.3	-177.7	-148	47.7	0	0	0	113.9	Y1602 Y1608	Y1602-W1606 VanDerWaalsContact O-CB 3.27Å; Y1602-W1606 WeakPolarHBondContact O-CB 3.44Å; Y1602-W1606 PolarHBondContact O-N 3.43Å; Y1602-W1606 VanDerWaalsContact O-N 3.1Å; W1606-Y1608 VanDerWaalsContact C-N 3.32Å; W1606-Y1608 PolarHBondContact O-N 3.09Å
1607	N	48	Very low	49.5	Very low	120.6 Å²	120.6	137.2 Å²	137.2	65%	0.645	65%	0.65	S	S	*	*	H	α-helix	trans	-102.5	12.4	173.7	-81.8	-27.4	0	0	0	113.5	I1603 L1604 Q1605	I1603-N1607 WeakPolarHBondContact O-CB 3.49Å; I1603-N1607 PolarHBondContact O-N 3.14Å; I1603-N1607 PolarHBondContact O-ND2 3.1Å; L1604-N1607 PolarHBondContact O-N 3.37Å; Q1605-N1607 VanDerWaalsContact C-N 3.31Å; Q1605-N1607 PolarHBondContact O-N 3.13Å
1608	Y	47	Very low	48.2	Very low	214 Å²	214	139.3 Å²	139.3	84%	0.839	67%	0.666	S	S	*	*	H	α-helix	trans	-105.7	-5.4	178.7	-131.3	-89.3	0	0	0	114.6	L1604 Q1605 W1606 K1610 H1611	L1604-Y1608 PolarHBondContact O-N 2.94Å; L1604-Y1608 VanDerWaalsContact O-N 3.13Å; Q1605-Y1608 PolarHBondContact O-N 2.97Å; W1606-Y1608 VanDerWaalsContact C-N 3.32Å; W1606-Y1608 PolarHBondContact O-N 3.09Å; Y1608-K1610 PolarHBondContact O-N 2.85Å; Y1608-H1611 PolarHBondContact O-N 2.86Å
1609	E	47.7	Very low	47.5	Very low	161.8 Å²	161.8	137 Å²	137	76%	0.756	66%	0.663	S	S	*	*	S	Bend	trans	-112.3	39.4	176.6	-148.9	172.5	178.7	0	0	114.1	Q1605	Q1605-E1609 PolarHBondContact O-N 3.22Å
1610	K	42.5	Very low	47.1	Very low	177.6 Å²	177.6	140.8 Å²	140.8	77%	0.772	68%	0.68	S	S	*	*			trans	-85.6	62	166.3	-137.1	175.1	-177.4	173.9	0	117	Y1608	Y1608-K1610 PolarHBondContact O-N 2.85Å
1611	H	43.6	Very low	46.7	Very low	171 Å²	171	142.4 Å²	142.4	79%	0.792	70%	0.696	S	S	*	*			trans	-131.2	80.1	155.1	-116.3	-71	0	0	0	115.1	Y1608	Y1608-H1611 PolarHBondContact O-N 2.86Å
1612	D	43.4	Very low	46.3	Very low	144.2 Å²	144.2	141.5 Å²	141.5	77%	0.771	70%	0.697	S	S	*	*			trans	-117.6	140.1	171.3	-121.8	-33.5	0	0	0	113.1	N1614	D1612-N1614 PolarHBondContact O-N 2.84Å; D1612-N1614 VanDerWaalsContact O-N 3.07Å
1613	S	44.2	Very low	46.1	Very low	95.4 Å²	95.4	139.3 Å²	139.3	67%	0.667	69%	0.692	S	S	*	*			trans	51.1	131.6	173.1	70.9	0	0	0	0	117
1614	N	43.1	Very low	45.8	Very low	140.8 Å²	140.8	139.5 Å²	139.5	75%	0.753	69%	0.691	S	S	*	*			trans	89.9	82.3	161	-60.5	-34.4	0	0	0	118.8	D1612 L1616	D1612-N1614 PolarHBondContact O-N 2.84Å; D1612-N1614 VanDerWaalsContact O-N 3.07Å; N1614-L1616 PolarHBondContact O-N 3.41Å
1615	H	41.1	Very low	45.6	Very low	185.8 Å²	185.8	143.7 Å²	143.7	86%	0.86	71%	0.705	S	S	*	*			trans	65.1	109.3	138.7	-105.7	-92.1	0	0	0	121.1
1616	L	36.5	Very low	45.6	Very low	148.4 Å²	148.4	142.7 Å²	142.7	78%	0.777	70%	0.703	S	S	*	*			trans	82	56.9	149.6	-151.8	88.8	0	0	0	119.2	N1614	N1614-L1616 PolarHBondContact O-N 3.41Å
1617	F	38.9	Very low	46.1	Very low	178.6 Å²	178.6	137 Å²	137	78%	0.783	68%	0.684	S	S	*	*			trans	-146.8	99.7	152.7	-137.3	-91.1	0	0	0	114.2	G1619 T1620	F1617-G1619 PolarHBondContact O-N 2.99Å; F1617-T1620 HydrophobicContact CD1-CG2 4.15Å; F1617-T1620 HydrophobicContact CE1-CG2 3.9Å
1618	Q	37.5	Very low	46.9	Very low	200.2 Å²	200.2	136.8 Å²	136.8	94%	0.936	68%	0.682	S	S	*	*			trans	-96.1	71.3	-174.2	-149.4	172.2	-4.3	0	0	112.4
1619	G	44.6	Very low	47.9	Very low	40.4 Å²	40.4	129.7 Å²	129.7	42%	0.416	66%	0.662	S	S	.	*			trans	-132.3	-7.5	-174.6	0	0	0	0	0	117.6	F1617 S1621	F1617-G1619 PolarHBondContact O-N 2.99Å; G1619-S1621 PolarHBondContact O-N 3.35Å
1620	T	48.9	Very low	48.6	Very low	107.6 Å²	107.6	125.9 Å²	125.9	66%	0.66	65%	0.647	S	S	*	*	S	Bend	trans	-85.8	-12.6	-163.2	47.1	0	0	0	0	116	F1617 I1622 Q1623	F1617-T1620 HydrophobicContact CD1-CG2 4.15Å; F1617-T1620 HydrophobicContact CE1-CG2 3.9Å; T1620-I1622 VanDerWaalsContact C-N 3.28Å; T1620-I1622 PolarHBondContact O-N 3.23Å; T1620-Q1623 PolarHBondContact O-N 3.23Å
1621	S	47	Very low	49.8	Very low	90.4 Å²	90.4	120.9 Å²	120.9	63%	0.632	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-13	-174.7	59.8	0	0	0	0	115.5	G1619 K1625	G1619-S1621 PolarHBondContact O-N 3.35Å; S1621-K1625 WeakPolarHBondContact O-CD 3.45Å
1622	I	48	Very low	51.4	Low	113.8 Å²	113.8	116.8 Å²	116.8	58%	0.584	61%	0.612	S	S	*	*	H	α-helix	trans	-82.9	-36.2	-176.6	-59.8	176.9	0	0	0	111.6	T1620 Q1624 K1625 L1626	T1620-I1622 VanDerWaalsContact C-N 3.28Å; T1620-I1622 PolarHBondContact O-N 3.23Å; I1622-Q1624 PolarHBondContact O-N 3.03Å; I1622-K1625 WeakPolarHBondContact O-CB 3.33Å; I1622-K1625 PolarHBondContact O-N 3.21Å; I1622-K1625 VanDerWaalsContact O-N 3.13Å; I1622-L1626 HydrophobicContact CG2-CD1 4.17Å
1623	Q	49.9	Very low	52.7	Low	117.6 Å²	117.6	115.5 Å²	115.5	55%	0.55	60%	0.601	S	S	.	*	H	α-helix	trans	-62.5	-42.8	-173.1	-69.2	-86.8	-33.1	0	0	113.1	H1513 T1620 K1625 L1626 F1627	H1513-Q1623 PolarHBondContact CE1-OE1 3.32Å; H1513-Q1623 PolarHBondContact NE2-NE2 2.94Å; H1513-Q1623 PolarHBondContact NE2-OE1 3.43Å; T1620-Q1623 PolarHBondContact O-N 3.23Å; Q1623-K1625 VanDerWaalsContact C-N 3.27Å; Q1623-K1625 PolarHBondContact O-N 3.28Å; Q1623-K1625 VanDerWaalsContact O-N 3.16Å; Q1623-L1626 PolarHBondContact O-N 2.96Å; Q1623-F1627 PolarHBondContact O-N 3.39Å
1624	Q	50.6	Low	53.9	Low	120 Å²	120	112.8 Å²	112.8	56%	0.561	58%	0.582	S	S	*	*	H	α-helix	trans	-62.2	-29.6	177.3	-74.3	-177.3	-14.6	0	0	112.9	L1604 I1622 L1626 F1627	L1604-Q1624 HydrophobicContact CD2-CG 3.64Å; L1604-Q1624 VanDerWaalsContact CD2-CG 3.4Å; I1622-Q1624 PolarHBondContact O-N 3.03Å; Q1624-L1626 VanDerWaalsContact C-N 3.33Å; Q1624-L1626 PolarHBondContact O-N 3.26Å; Q1624-F1627 PolarHBondContact O-N 3.15Å
1625	K	50.4	Low	55.4	Low	169.2 Å²	169.2	108.9 Å²	108.9	74%	0.736	56%	0.561	S	S	*	*	H	α-helix	trans	-76.9	-18.3	-174.3	-126.1	175.1	-176.6	177.4	0	114	S1621 I1622 Q1623 P1629	S1621-K1625 WeakPolarHBondContact O-CD 3.45Å; I1622-K1625 WeakPolarHBondContact O-CB 3.33Å; I1622-K1625 PolarHBondContact O-N 3.21Å; I1622-K1625 VanDerWaalsContact O-N 3.13Å; Q1623-K1625 VanDerWaalsContact C-N 3.27Å; Q1623-K1625 PolarHBondContact O-N 3.28Å; Q1623-K1625 VanDerWaalsContact O-N 3.16Å; K1625-P1629 WeakPolarHBondContact O-CD 3.42Å; K1625-P1629 WeakPolarHBondContact O-CG 3.35Å
1626	L	56.5	Low	57.2	Low	102 Å²	102	106.8 Å²	106.8	53%	0.534	55%	0.55	S	S	.	.	H	α-helix	trans	-95.3	-23.3	174.8	-86.2	95.6	0	0	0	113.8	I1622 Q1623 Q1624 P1629 N1630	I1622-L1626 HydrophobicContact CG2-CD1 4.17Å; Q1623-L1626 PolarHBondContact O-N 2.96Å; Q1624-L1626 VanDerWaalsContact C-N 3.33Å; Q1624-L1626 PolarHBondContact O-N 3.26Å; L1626-P1629 WeakPolarHBondContact O-CD 3.43Å; L1626-P1629 WeakPolarHBondContact O-CG 3.41Å; L1626-N1630 VanDerWaalsContact O-CG 3.25Å; L1626-N1630 PolarHBondContact O-N 3.22Å; L1626-N1630 PolarHBondContact O-ND2 3.05Å; L1626-N1630 PolarHBondContact O-OD1 2.77Å
1627	F	58.8	Low	59	Low	77.8 Å²	77.8	102.2 Å²	102.2	34%	0.341	53%	0.533	S	S	.	.	H	α-helix	trans	-69.1	-44	-176.4	-166.4	-96.9	0	0	0	112.7	V1595 L1600 Y1602 Q1623 Q1624 N1630 F1631	V1595-F1627 HydrophobicContact CG1-CE1 4.42Å; V1595-F1627 HydrophobicContact CG1-CZ 4.19Å; V1595-F1627 HydrophobicContact CG2-CZ 3.99Å; L1600-F1627 HydrophobicContact CD1-CD2 3.98Å; L1600-F1627 HydrophobicContact CD1-CE2 3.64Å; L1600-F1627 HydrophobicContact CD1-CZ 4.28Å; L1600-F1627 HydrophobicContact CD2-CD1 4.11Å; L1600-F1627 HydrophobicContact CD2-CD2 3.96Å; L1600-F1627 HydrophobicContact CD2-CE1 3.93Å; L1600-F1627 HydrophobicContact CD2-CE2 3.78Å; L1600-F1627 HydrophobicContact CD2-CG 4.13Å; L1600-F1627 HydrophobicContact CD2-CZ 3.77Å; L1600-F1627 HydrophobicContact CG-CE2 4.38Å; Y1602-F1627 HydrophobicContact CE2-CE2 4.16Å; Q1623-F1627 PolarHBondContact O-N 3.39Å; Q1624-F1627 PolarHBondContact O-N 3.15Å; F1627-N1630 PolarHBondContact O-N 3.15Å; F1627-F1631 WeakPolarHBondContact O-CB 3.3Å; F1627-F1631 PolarHBondContact O-N 3.17Å; F1627-F1631 VanDerWaalsContact O-N 3.09Å
1628	I	65.3	Low	60.7	Low	116.8 Å²	116.8	95.3 Å²	95.3	60%	0.599	50%	0.503	S	S	*	.	H	α-helix	trans	-58.6	-53.5	179.8	-58.3	173.2	0	0	0	112.5	N1630 F1631 V1632	I1628-N1630 VanDerWaalsContact C-N 3.34Å; I1628-N1630 PolarHBondContact O-N 3.33Å; I1628-F1631 PolarHBondContact O-N 3.1Å; I1628-V1632 HydrophobicContact CG2-CG2 4.43Å; I1628-V1632 WeakPolarHBondContact O-CG2 3.44Å; I1628-V1632 PolarHBondContact O-N 3.11Å
1629	P	68.1	Low	62.6	Low	64.8 Å²	64.8	91.5 Å²	91.5	42%	0.421	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-38	179.8	22.7	-33	0	0	0	112.8	K1625 L1626 F1631 V1632 Q1633	K1625-P1629 WeakPolarHBondContact O-CD 3.42Å; K1625-P1629 WeakPolarHBondContact O-CG 3.35Å; L1626-P1629 WeakPolarHBondContact O-CD 3.43Å; L1626-P1629 WeakPolarHBondContact O-CG 3.41Å; P1629-F1631 PolarHBondContact O-N 3.4Å; P1629-V1632 PolarHBondContact O-N 3.29Å; P1629-Q1633 VanDerWaalsContact O-CB 3.24Å; P1629-Q1633 WeakPolarHBondContact O-CB 3.35Å; P1629-Q1633 PolarHBondContact O-N 3.13Å
1630	N	62.4	Low	64.1	Low	81.4 Å²	81.4	91.8 Å²	91.8	44%	0.435	48%	0.48	S	S	.	.	H	α-helix	trans	-64.1	-41.2	177.5	-72.1	-2.4	0	0	0	112.1	L1626 F1627 I1628 Q1633 S1634	L1626-N1630 VanDerWaalsContact O-CG 3.25Å; L1626-N1630 PolarHBondContact O-N 3.22Å; L1626-N1630 PolarHBondContact O-ND2 3.05Å; L1626-N1630 PolarHBondContact O-OD1 2.77Å; F1627-N1630 PolarHBondContact O-N 3.15Å; I1628-N1630 VanDerWaalsContact C-N 3.34Å; I1628-N1630 PolarHBondContact O-N 3.33Å; N1630-Q1633 PolarHBondContact O-N 3.07Å; N1630-S1634 WeakPolarHBondContact O-CB 3.39Å; N1630-S1634 PolarHBondContact O-N 3.13Å
1631	F	67.8	Low	65.4	Low	73 Å²	73	90.5 Å²	90.5	32%	0.32	47%	0.465	S	S	.	.	H	α-helix	trans	-65.1	-45.7	175.7	-178.3	-102.5	0	0	0	112	I1591 L1592 V1595 F1627 I1628 P1629 Q1633 S1634 L1635	I1591-F1631 HydrophobicContact CG2-CD2 4.2Å; I1591-F1631 HydrophobicContact CG2-CE2 3.78Å; L1592-F1631 HydrophobicContact CD2-CZ 4.35Å; V1595-F1631 HydrophobicContact CG2-CE2 4.42Å; F1627-F1631 WeakPolarHBondContact O-CB 3.3Å; F1627-F1631 PolarHBondContact O-N 3.17Å; F1627-F1631 VanDerWaalsContact O-N 3.09Å; I1628-F1631 PolarHBondContact O-N 3.1Å; P1629-F1631 PolarHBondContact O-N 3.4Å; F1631-Q1633 VanDerWaalsContact C-N 3.34Å; F1631-Q1633 PolarHBondContact O-N 3.18Å; F1631-S1634 WeakPolarHBondContact O-CB 3.4Å; F1631-S1634 PolarHBondContact O-N 3.07Å; F1631-L1635 HydrophobicContact CD1-CD1 3.99Å; F1631-L1635 HydrophobicContact CE1-CD1 3.48Å; F1631-L1635 VanDerWaalsContact CE1-CD1 3.48Å; F1631-L1635 HydrophobicContact CE1-CG 4.37Å; F1631-L1635 HydrophobicContact CZ-CD1 3.87Å; F1631-L1635 HydrophobicContact CZ-CG 4.39Å; F1631-L1635 PolarHBondContact O-N 2.99Å; F1631-L1635 VanDerWaalsContact O-N 3.1Å
1632	V	75.6	Confident	66.8	Low	84.6 Å²	84.6	87.6 Å²	87.6	51%	0.513	44%	0.442	S	S	.	.	H	α-helix	trans	-63.8	-40.5	176.8	172.7	0	0	0	0	111.6	I1628 P1629 S1634 L1635 F1636	I1628-V1632 HydrophobicContact CG2-CG2 4.43Å; I1628-V1632 WeakPolarHBondContact O-CG2 3.44Å; I1628-V1632 PolarHBondContact O-N 3.11Å; P1629-V1632 PolarHBondContact O-N 3.29Å; V1632-S1634 VanDerWaalsContact C-N 3.35Å; V1632-L1635 PolarHBondContact O-N 3.22Å; V1632-F1636 WeakPolarHBondContact O-CB 3.34Å; V1632-F1636 PolarHBondContact O-N 3.18Å
1633	Q	71.7	Confident	68.2	Low	117.4 Å²	117.4	86.2 Å²	86.2	55%	0.549	44%	0.436	S	S	.	.	H	α-helix	trans	-64.6	-39.1	176.1	-175.8	174.2	-3.7	0	0	111.9	P1629 N1630 F1631 F1636 A1637	P1629-Q1633 VanDerWaalsContact O-CB 3.24Å; P1629-Q1633 WeakPolarHBondContact O-CB 3.35Å; P1629-Q1633 PolarHBondContact O-N 3.13Å; N1630-Q1633 PolarHBondContact O-N 3.07Å; F1631-Q1633 VanDerWaalsContact C-N 3.34Å; F1631-Q1633 PolarHBondContact O-N 3.18Å; Q1633-F1636 PolarHBondContact O-N 3.13Å; Q1633-A1637 WeakPolarHBondContact O-CB 3.31Å; Q1633-A1637 PolarHBondContact O-N 3.18Å
1634	S	70	Confident	69.5	Low	37.6 Å²	37.6	84.7 Å²	84.7	26%	0.263	43%	0.431	S	S	.	.	H	α-helix	trans	-61.9	-48.7	174.3	-171.1	0	0	0	0	111.7	N1630 F1631 V1632 F1636 A1637 Q1638	N1630-S1634 WeakPolarHBondContact O-CB 3.39Å; N1630-S1634 PolarHBondContact O-N 3.13Å; F1631-S1634 WeakPolarHBondContact O-CB 3.4Å; F1631-S1634 PolarHBondContact O-N 3.07Å; V1632-S1634 VanDerWaalsContact C-N 3.35Å; S1634-F1636 PolarHBondContact O-N 3.07Å; S1634-A1637 PolarHBondContact O-N 3.22Å; S1634-Q1638 WeakPolarHBondContact O-CG 3.44Å; S1634-Q1638 PolarHBondContact O-N 3.23Å; S1634-Q1638 PolarHBondContact O-NE2 2.92Å; S1634-Q1638 PolarHBondContact OG-NE2 3.29Å
1635	L	74.8	Confident	70.6	Confident	60.2 Å²	60.2	80.9 Å²	80.9	32%	0.315	42%	0.42	S	S	.	.	H	α-helix	trans	-61.6	-41.9	176.1	-72	175.5	0	0	0	112.4	I1588 F1631 V1632 Q1638 F1639	I1588-L1635 HydrophobicContact CD1-CD2 4.46Å; I1588-L1635 HydrophobicContact CG1-CD2 4Å; F1631-L1635 HydrophobicContact CD1-CD1 3.99Å; F1631-L1635 HydrophobicContact CE1-CD1 3.48Å; F1631-L1635 VanDerWaalsContact CE1-CD1 3.48Å; F1631-L1635 HydrophobicContact CE1-CG 4.37Å; F1631-L1635 HydrophobicContact CZ-CD1 3.87Å; F1631-L1635 HydrophobicContact CZ-CG 4.39Å; F1631-L1635 PolarHBondContact O-N 2.99Å; F1631-L1635 VanDerWaalsContact O-N 3.1Å; V1632-L1635 PolarHBondContact O-N 3.22Å; L1635-Q1638 PolarHBondContact O-N 3.18Å; L1635-F1639 WeakPolarHBondContact O-CB 3.33Å; L1635-F1639 PolarHBondContact O-N 3.35Å
1636	F	78.1	Confident	71.8	Confident	140.4 Å²	140.4	75.8 Å²	75.8	62%	0.616	40%	0.4	S	S	*	.	H	α-helix	trans	-65.4	-38.9	177.5	-175.2	-95.2	0	0	0	112.3	V1632 Q1633 S1634 F1639 S1640	V1632-F1636 WeakPolarHBondContact O-CB 3.34Å; V1632-F1636 PolarHBondContact O-N 3.18Å; Q1633-F1636 PolarHBondContact O-N 3.13Å; S1634-F1636 PolarHBondContact O-N 3.07Å; F1636-F1639 PolarHBondContact O-N 2.95Å; F1636-S1640 VanDerWaalsContact O-CB 3.3Å; F1636-S1640 WeakPolarHBondContact O-CB 3.36Å; F1636-S1640 PolarHBondContact O-N 3.05Å; F1636-S1640 PolarHBondContact O-OG 3.07Å
1637	A	73.9	Confident	72.9	Confident	52.6 Å²	52.6	75.3 Å²	75.3	44%	0.435	40%	0.397	S	S	.	.	H	α-helix	trans	-64.7	-43.7	174.3	0	0	0	0	0	111.7	Q1633 S1634 S1640 F1641	Q1633-A1637 WeakPolarHBondContact O-CB 3.31Å; Q1633-A1637 PolarHBondContact O-N 3.18Å; S1634-A1637 PolarHBondContact O-N 3.22Å; A1637-S1640 PolarHBondContact O-N 3.12Å; A1637-F1641 WeakPolarHBondContact O-CB 3.35Å; A1637-F1641 PolarHBondContact O-N 2.99Å
1638	Q	73.9	Confident	73.7	Confident	33.2 Å²	33.2	75.2 Å²	75.2	16%	0.155	40%	0.4	C	S	.	.	H	α-helix	trans	-64.4	-41.7	176.1	-71.3	176.6	-12.6	0	0	112.4	F1584 I1591 S1634 L1635 F1641 L1642	F1584-Q1638 HydrophobicContact CD2-CB 4.16Å; F1584-Q1638 HydrophobicContact CE2-CB 3.78Å; I1591-Q1638 VanDerWaalsContact CD1-CD 3.44Å; I1591-Q1638 HydrophobicContact CD1-CG 4.29Å; I1591-Q1638 VanDerWaalsContact CD1-NE2 3.32Å; S1634-Q1638 WeakPolarHBondContact O-CG 3.44Å; S1634-Q1638 PolarHBondContact O-N 3.23Å; S1634-Q1638 PolarHBondContact O-NE2 2.92Å; S1634-Q1638 PolarHBondContact OG-NE2 3.29Å; L1635-Q1638 PolarHBondContact O-N 3.18Å; Q1638-F1641 PolarHBondContact O-N 3.16Å; Q1638-L1642 WeakPolarHBondContact O-CB 3.37Å; Q1638-L1642 PolarHBondContact O-N 3.1Å
1639	F	77.6	Confident	74.2	Confident	119.8 Å²	119.8	71.8 Å²	71.8	53%	0.525	39%	0.386	S	S	.	.	H	α-helix	trans	-64.3	-42.7	174.8	-179.4	-97	0	0	0	111.9	F1584 L1635 F1636 F1641 L1642 L1643	F1584-F1639 HydrophobicContact CE2-CB 4.43Å; F1584-F1639 HydrophobicContact CZ-CB 4.36Å; F1584-F1639 HydrophobicContact CZ-CD2 4.48Å; L1635-F1639 WeakPolarHBondContact O-CB 3.33Å; L1635-F1639 PolarHBondContact O-N 3.35Å; F1636-F1639 PolarHBondContact O-N 2.95Å; F1639-F1641 VanDerWaalsContact C-N 3.32Å; F1639-F1641 PolarHBondContact O-N 2.96Å; F1639-L1642 PolarHBondContact O-N 3.21Å; F1639-L1643 WeakPolarHBondContact O-CB 3.25Å; F1639-L1643 PolarHBondContact O-N 3.17Å
1640	S	76.4	Confident	74.6	Confident	47.6 Å²	47.6	76.6 Å²	76.6	33%	0.333	40%	0.396	S	S	.	.	H	α-helix	trans	-62.1	-39.5	175.5	-60.3	0	0	0	0	111.8	F1636 A1637 L1643 L1644	F1636-S1640 VanDerWaalsContact O-CB 3.3Å; F1636-S1640 WeakPolarHBondContact O-CB 3.36Å; F1636-S1640 PolarHBondContact O-N 3.05Å; F1636-S1640 PolarHBondContact O-OG 3.07Å; A1637-S1640 PolarHBondContact O-N 3.12Å; S1640-L1643 PolarHBondContact O-N 3.2Å; S1640-L1644 WeakPolarHBondContact O-CB 3.37Å; S1640-L1644 PolarHBondContact O-N 3.27Å; S1640-L1644 VanDerWaalsContact O-N 3.11Å
1641	F	76.6	Confident	75.3	Confident	79.4 Å²	79.4	75.6 Å²	75.6	35%	0.348	40%	0.395	S	S	.	.	H	α-helix	trans	-66.2	-44.6	174.4	-174.2	-91.8	0	0	0	112.1	M1528 L1529 A1637 Q1638 F1639 L1643 L1644 A1645	M1528-F1641 HydrophobicContact CB-CD1 3.72Å; M1528-F1641 HydrophobicContact CB-CE1 3.61Å; M1528-F1641 HydrophobicContact CE-CD2 4.45Å; M1528-F1641 HydrophobicContact CE-CE2 3.86Å; M1528-F1641 HydrophobicContact CE-CZ 3.87Å; M1528-F1641 HydrophobicContact SD-CD2 4.32Å; M1528-F1641 HydrophobicContact SD-CE1 4.23Å; M1528-F1641 HydrophobicContact SD-CE2 3.8Å; M1528-F1641 VanDerWaalsContact SD-CE2 3.53Å; M1528-F1641 HydrophobicContact SD-CZ 3.64Å; L1529-F1641 HydrophobicContact CB-CE1 4.12Å; L1529-F1641 HydrophobicContact CB-CE2 4.39Å; L1529-F1641 HydrophobicContact CB-CZ 3.52Å; L1529-F1641 HydrophobicContact CD1-CE2 4.05Å; L1529-F1641 HydrophobicContact CD1-CZ 3.89Å; L1529-F1641 HydrophobicContact CG-CE2 4.49Å; L1529-F1641 HydrophobicContact CG-CZ 3.83Å; A1637-F1641 WeakPolarHBondContact O-CB 3.35Å; A1637-F1641 PolarHBondContact O-N 2.99Å; Q1638-F1641 PolarHBondContact O-N 3.16Å; F1639-F1641 VanDerWaalsContact C-N 3.32Å; F1639-F1641 PolarHBondContact O-N 2.96Å; F1641-L1643 VanDerWaalsContact C-N 3.33Å; F1641-L1643 PolarHBondContact O-N 3.08Å; F1641-L1644 PolarHBondContact O-N 3.01Å; F1641-A1645 HydrophobicContact CE1-CB 4.4Å; F1641-A1645 VanDerWaalsContact O-CB 3.27Å; F1641-A1645 WeakPolarHBondContact O-CB 3.31Å; F1641-A1645 PolarHBondContact O-N 3.27Å
1642	L	75.5	Confident	75.7	Confident	30.6 Å²	30.6	76 Å²	76	16%	0.16	40%	0.4	C	S	.	.	H	α-helix	trans	-58.2	-46	175.3	177.6	64.9	0	0	0	111.4	M1528 T1581 F1584 Q1638 F1639 L1644 A1645 I1646	M1528-L1642 HydrophobicContact CE-CD1 4.02Å; T1581-L1642 HydrophobicContact CG2-CD2 4.38Å; F1584-L1642 HydrophobicContact CB-CD2 4.01Å; F1584-L1642 HydrophobicContact CD1-CD2 3.97Å; F1584-L1642 HydrophobicContact CD2-CD1 4.18Å; F1584-L1642 HydrophobicContact CD2-CD2 4.24Å; F1584-L1642 HydrophobicContact CE1-CD1 4.38Å; F1584-L1642 HydrophobicContact CE1-CD2 4.44Å; F1584-L1642 HydrophobicContact CE2-CB 4.45Å; F1584-L1642 HydrophobicContact CE2-CD1 3.98Å; F1584-L1642 HydrophobicContact CG-CD1 4.49Å; F1584-L1642 HydrophobicContact CG-CD2 3.83Å; F1584-L1642 HydrophobicContact CZ-CD1 4.08Å; F1584-L1642 HydrophobicContact CZ-CD2 4.34Å; Q1638-L1642 WeakPolarHBondContact O-CB 3.37Å; Q1638-L1642 PolarHBondContact O-N 3.1Å; F1639-L1642 PolarHBondContact O-N 3.21Å; L1642-L1644 PolarHBondContact O-N 3.16Å; L1642-A1645 PolarHBondContact O-N 3.12Å; L1642-I1646 HydrophobicContact CD1-CD1 4.05Å; L1642-I1646 HydrophobicContact CD1-CG1 4.47Å; L1642-I1646 HydrophobicContact CG-CD1 3.99Å; L1642-I1646 WeakPolarHBondContact O-CD1 3.28Å; L1642-I1646 VanDerWaalsContact O-CG1 3.28Å; L1642-I1646 WeakPolarHBondContact O-CG1 3.34Å; L1642-I1646 PolarHBondContact O-N 3.16Å; L1642-I1646 VanDerWaalsContact O-N 3.08Å
1643	L	78	Confident	75.9	Confident	84 Å²	84	73.9 Å²	73.9	44%	0.44	38%	0.384	S	S	.	.	H	α-helix	trans	-60.2	-45.7	176.7	-177.9	63.5	0	0	0	111.5	F1639 S1640 F1641 A1645 I1646 L1647	F1639-L1643 WeakPolarHBondContact O-CB 3.25Å; F1639-L1643 PolarHBondContact O-N 3.17Å; S1640-L1643 PolarHBondContact O-N 3.2Å; F1641-L1643 VanDerWaalsContact C-N 3.33Å; F1641-L1643 PolarHBondContact O-N 3.08Å; L1643-A1645 VanDerWaalsContact C-N 3.34Å; L1643-A1645 PolarHBondContact O-N 3.34Å; L1643-I1646 PolarHBondContact O-N 3.07Å; L1643-I1646 VanDerWaalsContact O-N 3.14Å; L1643-L1647 HydrophobicContact CD1-CD1 4Å; L1643-L1647 HydrophobicContact CD1-CG 4.26Å; L1643-L1647 HydrophobicContact CG-CD1 3.9Å; L1643-L1647 HydrophobicContact CG-CG 4.47Å; L1643-L1647 WeakPolarHBondContact O-CB 3.32Å; L1643-L1647 VanDerWaalsContact O-CG 3.29Å; L1643-L1647 WeakPolarHBondContact O-CG 3.39Å; L1643-L1647 PolarHBondContact O-N 3.1Å
1644	L	77.6	Confident	76.2	Confident	86.4 Å²	86.4	75.5 Å²	75.5	45%	0.452	39%	0.387	S	S	.	.	H	α-helix	trans	-64.3	-39.3	177.4	-171.3	61.7	0	0	0	112	F1330 S1640 F1641 L1642 I1646 L1647 L1648	F1330-L1644 HydrophobicContact CE1-CD1 4.28Å; F1330-L1644 HydrophobicContact CE1-CD2 4.31Å; F1330-L1644 HydrophobicContact CE2-CD1 4.36Å; F1330-L1644 HydrophobicContact CE2-CD2 3.62Å; F1330-L1644 HydrophobicContact CE2-CG 3.94Å; F1330-L1644 HydrophobicContact CZ-CD1 4.42Å; F1330-L1644 HydrophobicContact CZ-CD2 3.39Å; F1330-L1644 HydrophobicContact CZ-CG 3.88Å; S1640-L1644 WeakPolarHBondContact O-CB 3.37Å; S1640-L1644 PolarHBondContact O-N 3.27Å; S1640-L1644 VanDerWaalsContact O-N 3.11Å; F1641-L1644 PolarHBondContact O-N 3.01Å; L1642-L1644 PolarHBondContact O-N 3.16Å; L1644-I1646 VanDerWaalsContact C-N 3.27Å; L1644-I1646 PolarHBondContact O-N 3.11Å; L1644-L1647 PolarHBondContact O-N 3.03Å; L1644-L1648 VanDerWaalsContact O-CB 3.3Å; L1644-L1648 WeakPolarHBondContact O-CB 3.39Å; L1644-L1648 PolarHBondContact O-N 3.2Å
1645	A	73.7	Confident	76.6	Confident	40.2 Å²	40.2	79.2 Å²	79.2	33%	0.332	40%	0.4	S	S	.	.	H	α-helix	trans	-66.5	-25	176	0	0	0	0	0	113.5	T1532 F1641 L1642 L1643 P1649	T1532-A1645 HydrophobicContact CG2-CB 3.83Å; F1641-A1645 HydrophobicContact CE1-CB 4.4Å; F1641-A1645 VanDerWaalsContact O-CB 3.27Å; F1641-A1645 WeakPolarHBondContact O-CB 3.31Å; F1641-A1645 PolarHBondContact O-N 3.27Å; L1642-A1645 PolarHBondContact O-N 3.12Å; L1643-A1645 VanDerWaalsContact C-N 3.34Å; L1643-A1645 PolarHBondContact O-N 3.34Å; A1645-P1649 WeakPolarHBondContact O-CD 3.3Å; A1645-P1649 VanDerWaalsContact O-CG 3.25Å; A1645-P1649 WeakPolarHBondContact O-CG 3.22Å
1646	I	76.6	Confident	76.7	Confident	62.4 Å²	62.4	79.5 Å²	79.5	32%	0.32	41%	0.406	S	S	.	.	H	α-helix	trans	-83.7	-38.7	173.4	-67.2	162	0	0	0	111.4	Q1573 F1577 L1642 L1643 L1644	Q1573-I1646 PolarHBondContact NE2-O 3.35Å; Q1573-I1646 VanDerWaalsContact NE2-O 3.09Å; F1577-I1646 HydrophobicContact CD2-CD1 3.76Å; F1577-I1646 HydrophobicContact CD2-CG1 4.41Å; F1577-I1646 HydrophobicContact CE2-CD1 4.15Å; L1642-I1646 HydrophobicContact CD1-CD1 4.05Å; L1642-I1646 HydrophobicContact CD1-CG1 4.47Å; L1642-I1646 HydrophobicContact CG-CD1 3.99Å; L1642-I1646 WeakPolarHBondContact O-CD1 3.28Å; L1642-I1646 VanDerWaalsContact O-CG1 3.28Å; L1642-I1646 WeakPolarHBondContact O-CG1 3.34Å; L1642-I1646 PolarHBondContact O-N 3.16Å; L1642-I1646 VanDerWaalsContact O-N 3.08Å; L1643-I1646 PolarHBondContact O-N 3.07Å; L1643-I1646 VanDerWaalsContact O-N 3.14Å; L1644-I1646 VanDerWaalsContact C-N 3.27Å; L1644-I1646 PolarHBondContact O-N 3.11Å
1647	L	77.6	Confident	76.9	Confident	90.4 Å²	90.4	79.2 Å²	79.2	47%	0.473	40%	0.401	S	S	.	.	H	α-helix	trans	-77.4	-41.3	-176	-70.2	175.2	0	0	0	113.5	L1643 L1644 R1650 S1651	L1643-L1647 HydrophobicContact CD1-CD1 4Å; L1643-L1647 HydrophobicContact CD1-CG 4.26Å; L1643-L1647 HydrophobicContact CG-CD1 3.9Å; L1643-L1647 HydrophobicContact CG-CG 4.47Å; L1643-L1647 WeakPolarHBondContact O-CB 3.32Å; L1643-L1647 VanDerWaalsContact O-CG 3.29Å; L1643-L1647 WeakPolarHBondContact O-CG 3.39Å; L1643-L1647 PolarHBondContact O-N 3.1Å; L1644-L1647 PolarHBondContact O-N 3.03Å; L1647-R1650 WeakPolarHBondContact O-CB 3.33Å; L1647-R1650 PolarHBondContact O-N 3.14Å; L1647-R1650 VanDerWaalsContact O-N 3.16Å; L1647-S1651 WeakPolarHBondContact O-CB 3.2Å; L1647-S1651 PolarHBondContact O-N 3.12Å; L1647-S1651 PolarHBondContact O-OG 3.17Å
1648	L	75.6	Confident	77.2	Confident	77.2 Å²	77.2	79.4 Å²	79.4	40%	0.404	39%	0.394	S	S	.	.	H	α-helix	trans	-63.8	-43.5	-174.2	-165.4	74.4	0	0	0	113.4	F1330 L1644 R1650 S1651 L1652	F1330-L1648 HydrophobicContact CE2-CD2 4.25Å; L1644-L1648 VanDerWaalsContact O-CB 3.3Å; L1644-L1648 WeakPolarHBondContact O-CB 3.39Å; L1644-L1648 PolarHBondContact O-N 3.2Å; L1648-R1650 VanDerWaalsContact C-N 3.29Å; L1648-R1650 PolarHBondContact O-N 3.13Å; L1648-S1651 PolarHBondContact O-N 3.23Å; L1648-S1651 PolarHBondContact O-OG 3.2Å; L1648-S1651 VanDerWaalsContact O-OG 3.09Å; L1648-L1652 HydrophobicContact CG-CD1 4.38Å; L1648-L1652 WeakPolarHBondContact O-CB 3.45Å; L1648-L1652 WeakPolarHBondContact O-CG 3.37Å; L1648-L1652 PolarHBondContact O-N 3.03Å; L1648-L1652 VanDerWaalsContact O-N 3.14Å
1649	P	76.4	Confident	77.6	Confident	44.4 Å²	44.4	83.8 Å²	83.8	29%	0.288	42%	0.416	S	S	.	.	H	α-helix	trans	-65	-32.8	174.6	-22.2	35.3	0	0	0	112.7	A1645 L1652 E1653	A1645-P1649 WeakPolarHBondContact O-CD 3.3Å; A1645-P1649 VanDerWaalsContact O-CG 3.25Å; A1645-P1649 WeakPolarHBondContact O-CG 3.22Å; P1649-L1652 PolarHBondContact O-N 3.02Å; P1649-E1653 VanDerWaalsContact O-CB 3.29Å; P1649-E1653 WeakPolarHBondContact O-CB 3.4Å; P1649-E1653 PolarHBondContact O-N 3.28Å
1650	R	76.5	Confident	77.8	Confident	166.8 Å²	166.8	82.9 Å²	82.9	63%	0.629	41%	0.414	S	S	*	.	H	α-helix	trans	-70.6	-39.3	179.5	-171	175.8	-179.8	154.4	0.9	112.1	L1647 L1648 E1653 Y1654	L1647-R1650 WeakPolarHBondContact O-CB 3.33Å; L1647-R1650 PolarHBondContact O-N 3.14Å; L1647-R1650 VanDerWaalsContact O-N 3.16Å; L1648-R1650 VanDerWaalsContact C-N 3.29Å; L1648-R1650 PolarHBondContact O-N 3.13Å; R1650-E1653 PolarHBondContact O-N 2.99Å; R1650-Y1654 WeakPolarHBondContact O-CB 3.26Å; R1650-Y1654 PolarHBondContact O-N 3.06Å; R1650-Y1654 VanDerWaalsContact O-N 3.09Å
1651	S	78.3	Confident	78.2	Confident	59.8 Å²	59.8	86.3 Å²	86.3	42%	0.418	42%	0.424	S	S	.	.	H	α-helix	trans	-68.4	-40.7	174.2	72.5	0	0	0	0	112.1	L1647 L1648 E1653 Y1654 Q1655	L1647-S1651 WeakPolarHBondContact O-CB 3.2Å; L1647-S1651 PolarHBondContact O-N 3.12Å; L1647-S1651 PolarHBondContact O-OG 3.17Å; L1648-S1651 PolarHBondContact O-N 3.23Å; L1648-S1651 PolarHBondContact O-OG 3.2Å; L1648-S1651 VanDerWaalsContact O-OG 3.09Å; S1651-E1653 PolarHBondContact O-N 3.05Å; S1651-Y1654 PolarHBondContact O-N 3.16Å; S1651-Q1655 WeakPolarHBondContact O-CB 3.24Å; S1651-Q1655 VanDerWaalsContact O-CG 3.24Å; S1651-Q1655 WeakPolarHBondContact O-CG 3.43Å; S1651-Q1655 PolarHBondContact O-N 3.04Å; S1651-Q1655 VanDerWaalsContact O-N 3.12Å
1652	L	76.2	Confident	78.4	Confident	81 Å²	81	91.4 Å²	91.4	42%	0.424	44%	0.441	S	S	.	.	H	α-helix	trans	-63.6	-42	174.1	-72.2	170.6	0	0	0	112.1	I1326 L1648 P1649 Y1654 Q1655 C1656	I1326-L1652 HydrophobicContact CD1-CD2 4.04Å; L1648-L1652 HydrophobicContact CG-CD1 4.38Å; L1648-L1652 WeakPolarHBondContact O-CB 3.45Å; L1648-L1652 WeakPolarHBondContact O-CG 3.37Å; L1648-L1652 PolarHBondContact O-N 3.03Å; L1648-L1652 VanDerWaalsContact O-N 3.14Å; P1649-L1652 PolarHBondContact O-N 3.02Å; L1652-Y1654 VanDerWaalsContact C-N 3.33Å; L1652-Y1654 PolarHBondContact O-N 2.99Å; L1652-Q1655 PolarHBondContact O-N 3.15Å; L1652-C1656 VanDerWaalsContact O-CB 3.27Å; L1652-C1656 WeakPolarHBondContact O-CB 3.37Å; L1652-C1656 PolarHBondContact O-N 3.25Å; L1652-C1656 PolarHBondContact O-SG 3.12Å; L1652-C1656 VanDerWaalsContact O-SG 3.36Å
1653	E	78.3	Confident	78.8	Confident	41 Å²	41	95.8 Å²	95.8	19%	0.192	46%	0.459	C	S	.	.	H	α-helix	trans	-62.7	-42.8	175.7	-170.4	-177.7	145.1	0	0	111.8	I1569 Q1573 R1576 P1649 R1650 S1651 Q1655 C1656 R1657	I1569-E1653 HydrophobicContact CG2-CG 4.12Å; Q1573-E1653 PolarHBondContact NE2-OE2 2.99Å; R1576-E1653 IonicContact CZ-OE2 3.08Å; R1576-E1653 IonicContact NH1-OE2 3.11Å; R1576-E1653 PolarHBondContact NH1-OE2 3.05Å; R1576-E1653 VanDerWaalsContact NH1-OE2 3.1Å; R1576-E1653 IonicContact NH2-OE2 3.32Å; R1576-E1653 PolarHBondContact NH2-OE2 3.03Å; P1649-E1653 VanDerWaalsContact O-CB 3.29Å; P1649-E1653 WeakPolarHBondContact O-CB 3.4Å; P1649-E1653 PolarHBondContact O-N 3.28Å; R1650-E1653 PolarHBondContact O-N 2.99Å; S1651-E1653 PolarHBondContact O-N 3.05Å; E1653-Q1655 PolarHBondContact O-N 2.88Å; E1653-C1656 CarbonylContact O-C 3.12Å; E1653-C1656 PolarHBondContact O-N 3.24Å; E1653-C1656 VanDerWaalsContact O-N 3.13Å; E1653-R1657 HydrophobicContact CG-CG 4.35Å; E1653-R1657 WeakPolarHBondContact O-CB 3.33Å; E1653-R1657 VanDerWaalsContact O-CG 3.29Å; E1653-R1657 WeakPolarHBondContact O-CG 3.38Å; E1653-R1657 PolarHBondContact O-N 3.18Å; E1653-R1657 IonicContact OE1-CZ 3.32Å; E1653-R1657 VanDerWaalsContact OE1-CZ 3.26Å; E1653-R1657 IonicContact OE1-NE 2.95Å; E1653-R1657 PolarHBondContact OE1-NE 3.29Å; E1653-R1657 IonicContact OE1-NH2 3.32Å; E1653-R1657 PolarHBondContact OE1-NH2 2.99Å
1654	Y	78.7	Confident	79	Confident	151.2 Å²	151.2	96.7 Å²	96.7	59%	0.593	46%	0.462	S	S	*	.	H	α-helix	trans	-60.5	-45.9	175.4	-178.9	-102.7	0	0	0	112	R1650 S1651 L1652 C1656 R1657 L1658	R1650-Y1654 WeakPolarHBondContact O-CB 3.26Å; R1650-Y1654 PolarHBondContact O-N 3.06Å; R1650-Y1654 VanDerWaalsContact O-N 3.09Å; S1651-Y1654 PolarHBondContact O-N 3.16Å; L1652-Y1654 VanDerWaalsContact C-N 3.33Å; L1652-Y1654 PolarHBondContact O-N 2.99Å; Y1654-C1656 VanDerWaalsContact C-N 3.33Å; Y1654-C1656 PolarHBondContact O-N 3.27Å; Y1654-R1657 PolarHBondContact O-N 3.03Å; Y1654-L1658 HydrophobicContact CD1-CD1 3.99Å; Y1654-L1658 HydrophobicContact CE1-CD1 3.47Å; Y1654-L1658 VanDerWaalsContact CE1-CD1 3.47Å; Y1654-L1658 HydrophobicContact CE1-CD2 4.29Å; Y1654-L1658 HydrophobicContact CE1-CG 4.3Å; Y1654-L1658 HydrophobicContact CE2-CD1 4.44Å; Y1654-L1658 HydrophobicContact CE2-CG 4.45Å; Y1654-L1658 VanDerWaalsContact O-CB 3.31Å; Y1654-L1658 WeakPolarHBondContact O-CB 3.34Å; Y1654-L1658 WeakPolarHBondContact O-CG 3.37Å; Y1654-L1658 PolarHBondContact O-N 3.2Å
1655	Q	77.9	Confident	79.4	Confident	114.8 Å²	114.8	99.4 Å²	99.4	54%	0.536	47%	0.47	S	S	.	.	H	α-helix	trans	-61.6	-41.5	174.9	-72	-141.8	-17.1	0	0	112.2	S1651 L1652 E1653 L1658 M1659	S1651-Q1655 WeakPolarHBondContact O-CB 3.24Å; S1651-Q1655 VanDerWaalsContact O-CG 3.24Å; S1651-Q1655 WeakPolarHBondContact O-CG 3.43Å; S1651-Q1655 PolarHBondContact O-N 3.04Å; S1651-Q1655 VanDerWaalsContact O-N 3.12Å; L1652-Q1655 PolarHBondContact O-N 3.15Å; E1653-Q1655 PolarHBondContact O-N 2.88Å; Q1655-L1658 PolarHBondContact O-N 3.17Å; Q1655-M1659 VanDerWaalsContact O-CB 3.24Å; Q1655-M1659 WeakPolarHBondContact O-CB 3.37Å; Q1655-M1659 PolarHBondContact O-N 3.11Å
1656	C	77.6	Confident	79.7	Confident	66 Å²	66	101.2 Å²	101.2	45%	0.446	48%	0.48	S	S	.	.	H	α-helix	trans	-66.2	-42.6	177.1	-83.6	0	0	0	0	112.5	L1652 E1653 Y1654 M1659 H1660	L1652-C1656 VanDerWaalsContact O-CB 3.27Å; L1652-C1656 WeakPolarHBondContact O-CB 3.37Å; L1652-C1656 PolarHBondContact O-N 3.25Å; L1652-C1656 PolarHBondContact O-SG 3.12Å; L1652-C1656 VanDerWaalsContact O-SG 3.36Å; E1653-C1656 CarbonylContact O-C 3.12Å; E1653-C1656 PolarHBondContact O-N 3.24Å; E1653-C1656 VanDerWaalsContact O-N 3.13Å; Y1654-C1656 VanDerWaalsContact C-N 3.33Å; Y1654-C1656 PolarHBondContact O-N 3.27Å; C1656-M1659 PolarHBondContact O-N 3.08Å; C1656-H1660 VanDerWaalsContact O-CB 3.29Å; C1656-H1660 WeakPolarHBondContact O-CB 3.35Å; C1656-H1660 PolarHBondContact O-N 3.23Å
1657	R	81.7	Confident	80.1	Confident	134 Å²	134	102 Å²	102	51%	0.506	48%	0.482	S	S	.	.	H	α-helix	trans	-61.7	-44.3	174.7	-74.1	176.3	-178.5	-108.5	5.3	111.4	E1653 Y1654 H1660 Q1661	E1653-R1657 HydrophobicContact CG-CG 4.35Å; E1653-R1657 WeakPolarHBondContact O-CB 3.33Å; E1653-R1657 VanDerWaalsContact O-CG 3.29Å; E1653-R1657 WeakPolarHBondContact O-CG 3.38Å; E1653-R1657 PolarHBondContact O-N 3.18Å; E1653-R1657 IonicContact OE1-CZ 3.32Å; E1653-R1657 VanDerWaalsContact OE1-CZ 3.26Å; E1653-R1657 IonicContact OE1-NE 2.95Å; E1653-R1657 PolarHBondContact OE1-NE 3.29Å; E1653-R1657 IonicContact OE1-NH2 3.32Å; E1653-R1657 PolarHBondContact OE1-NH2 2.99Å; Y1654-R1657 PolarHBondContact O-N 3.03Å; R1657-H1660 WeakPolarHBondContact O-CB 3.33Å; R1657-H1660 PolarHBondContact O-N 3.06Å; R1657-Q1661 WeakPolarHBondContact O-CG 3.29Å; R1657-Q1661 PolarHBondContact O-N 3.06Å; R1657-Q1661 VanDerWaalsContact O-N 3.1Å
1658	L	81.5	Confident	80.5	Confident	58 Å²	58	99.9 Å²	99.9	30%	0.304	48%	0.476	S	S	.	.	H	α-helix	trans	-62.1	-49.4	174.9	-109.1	140	0	0	0	111.4	Y1654 Q1655 H1660 Q1661 W1662	Y1654-L1658 HydrophobicContact CD1-CD1 3.99Å; Y1654-L1658 HydrophobicContact CE1-CD1 3.47Å; Y1654-L1658 VanDerWaalsContact CE1-CD1 3.47Å; Y1654-L1658 HydrophobicContact CE1-CD2 4.29Å; Y1654-L1658 HydrophobicContact CE1-CG 4.3Å; Y1654-L1658 HydrophobicContact CE2-CD1 4.44Å; Y1654-L1658 HydrophobicContact CE2-CG 4.45Å; Y1654-L1658 VanDerWaalsContact O-CB 3.31Å; Y1654-L1658 WeakPolarHBondContact O-CB 3.34Å; Y1654-L1658 WeakPolarHBondContact O-CG 3.37Å; Y1654-L1658 PolarHBondContact O-N 3.2Å; Q1655-L1658 PolarHBondContact O-N 3.17Å; L1658-H1660 VanDerWaalsContact C-N 3.28Å; L1658-H1660 PolarHBondContact O-N 3.19Å; L1658-Q1661 WeakPolarHBondContact O-CB 3.19Å; L1658-Q1661 PolarHBondContact O-N 3.3Å; L1658-Q1661 VanDerWaalsContact O-N 3.13Å; L1658-W1662 WeakPolarHBondContact O-CB 3.47Å; L1658-W1662 PolarHBondContact O-N 3.28Å
1659	M	81.7	Confident	80.7	Confident	125 Å²	125	99.7 Å²	99.7	62%	0.616	48%	0.478	S	S	*	.	H	α-helix	trans	-58.7	-37.5	178.4	-170.2	166.9	74.9	0	0	111.9	K1370 Q1655 C1656 W1662 K1663	K1370-M1659 PolarHBondContact NZ-SD 3.01Å; K1370-M1659 VanDerWaalsContact NZ-SD 3.39Å; Q1655-M1659 VanDerWaalsContact O-CB 3.24Å; Q1655-M1659 WeakPolarHBondContact O-CB 3.37Å; Q1655-M1659 PolarHBondContact O-N 3.11Å; C1656-M1659 PolarHBondContact O-N 3.08Å; M1659-W1662 PolarHBondContact O-N 3.27Å; M1659-K1663 VanDerWaalsContact O-CB 3.28Å; M1659-K1663 WeakPolarHBondContact O-CB 3.35Å; M1659-K1663 PolarHBondContact O-N 3.3Å
1660	H	80.9	Confident	81.1	Confident	101.2 Å²	101.2	102.8 Å²	102.8	47%	0.469	49%	0.492	S	S	.	.	H	α-helix	trans	-64.1	-45.9	173.7	-171.9	-90.5	0	0	0	112.1	C1656 R1657 L1658 W1662 K1663 M1664	C1656-H1660 VanDerWaalsContact O-CB 3.29Å; C1656-H1660 WeakPolarHBondContact O-CB 3.35Å; C1656-H1660 PolarHBondContact O-N 3.23Å; R1657-H1660 WeakPolarHBondContact O-CB 3.33Å; R1657-H1660 PolarHBondContact O-N 3.06Å; L1658-H1660 VanDerWaalsContact C-N 3.28Å; L1658-H1660 PolarHBondContact O-N 3.19Å; H1660-W1662 VanDerWaalsContact C-N 3.33Å; H1660-W1662 PolarHBondContact O-N 3.1Å; H1660-K1663 WeakPolarHBondContact O-CB 3.42Å; H1660-K1663 PolarHBondContact O-N 2.97Å; H1660-M1664 VanDerWaalsContact CE1-CG 3.48Å; H1660-M1664 WeakPolarHBondContact CE1-CG 3.25Å; H1660-M1664 WeakPolarHBondContact O-CB 3.5Å; H1660-M1664 WeakPolarHBondContact O-CG 3.32Å; H1660-M1664 PolarHBondContact O-N 3.06Å
1661	Q	84.3	Confident	81.5	Confident	119.2 Å²	119.2	100.2 Å²	100.2	56%	0.557	49%	0.486	S	S	*	.	H	α-helix	trans	-62	-41.3	175.5	-72.6	-178.8	-18.7	0	0	112.4	R1657 L1658 K1663 M1664 K1665	R1657-Q1661 WeakPolarHBondContact O-CG 3.29Å; R1657-Q1661 PolarHBondContact O-N 3.06Å; R1657-Q1661 VanDerWaalsContact O-N 3.1Å; L1658-Q1661 WeakPolarHBondContact O-CB 3.19Å; L1658-Q1661 PolarHBondContact O-N 3.3Å; L1658-Q1661 VanDerWaalsContact O-N 3.13Å; Q1661-K1663 PolarHBondContact O-N 3.05Å; Q1661-M1664 PolarHBondContact O-N 3.13Å; Q1661-K1665 VanDerWaalsContact O-CB 3.28Å; Q1661-K1665 WeakPolarHBondContact O-CB 3.39Å; Q1661-K1665 VanDerWaalsContact O-CG 3.27Å; Q1661-K1665 WeakPolarHBondContact O-CG 3.36Å; Q1661-K1665 PolarHBondContact O-N 2.92Å
1662	W	80.8	Confident	81.9	Confident	186.6 Å²	186.6	103.7 Å²	103.7	71%	0.707	49%	0.494	S	S	*	.	H	α-helix	trans	-62.7	-42.2	173.6	-77.2	99.9	0	0	0	112	L1658 M1659 H1660 K1665 S1666	L1658-W1662 WeakPolarHBondContact O-CB 3.47Å; L1658-W1662 PolarHBondContact O-N 3.28Å; M1659-W1662 PolarHBondContact O-N 3.27Å; H1660-W1662 VanDerWaalsContact C-N 3.33Å; H1660-W1662 PolarHBondContact O-N 3.1Å; W1662-K1665 PolarHBondContact O-N 3.09Å; W1662-S1666 VanDerWaalsContact O-CB 3.28Å; W1662-S1666 WeakPolarHBondContact O-CB 3.36Å; W1662-S1666 PolarHBondContact O-N 3.27Å
1663	K	84.7	Confident	82.2	Confident	122 Å²	122	104.5 Å²	104.5	53%	0.53	50%	0.498	S	S	.	.	H	α-helix	trans	-61.2	-50.6	175.7	-175.2	-176.9	175.4	-161.5	0	111.5	E1547 M1659 H1660 Q1661 K1665 S1666 Q1667	E1547-K1663 IonicContact OE1-NZ 2.66Å; E1547-K1663 PolarHBondContact OE1-NZ 3.45Å; M1659-K1663 VanDerWaalsContact O-CB 3.28Å; M1659-K1663 WeakPolarHBondContact O-CB 3.35Å; M1659-K1663 PolarHBondContact O-N 3.3Å; H1660-K1663 WeakPolarHBondContact O-CB 3.42Å; H1660-K1663 PolarHBondContact O-N 2.97Å; Q1661-K1663 PolarHBondContact O-N 3.05Å; K1663-K1665 PolarHBondContact O-N 3.17Å; K1663-S1666 CarbonylContact O-C 3.6Å; K1663-S1666 WeakPolarHBondContact O-CB 3.4Å; K1663-S1666 PolarHBondContact O-N 3.32Å; K1663-Q1667 VanDerWaalsContact CE-OE1 3.29Å; K1663-Q1667 WeakPolarHBondContact O-CB 3.21Å; K1663-Q1667 WeakPolarHBondContact O-CG 3.47Å; K1663-Q1667 PolarHBondContact O-N 3.31Å
1664	M	81.5	Confident	82.4	Confident	102.6 Å²	102.6	105.6 Å²	105.6	51%	0.505	51%	0.511	S	S	.	.	H	α-helix	trans	-61.3	-44	178.9	-67.7	-59.9	-67.1	0	0	112	H1660 Q1661 S1666 Q1667 S1668	H1660-M1664 VanDerWaalsContact CE1-CG 3.48Å; H1660-M1664 WeakPolarHBondContact CE1-CG 3.25Å; H1660-M1664 WeakPolarHBondContact O-CB 3.5Å; H1660-M1664 WeakPolarHBondContact O-CG 3.32Å; H1660-M1664 PolarHBondContact O-N 3.06Å; Q1661-M1664 PolarHBondContact O-N 3.13Å; M1664-S1666 VanDerWaalsContact C-N 3.33Å; M1664-S1666 PolarHBondContact O-N 3.23Å; M1664-Q1667 PolarHBondContact O-N 3.03Å; M1664-S1668 WeakPolarHBondContact O-CB 3.23Å; M1664-S1668 PolarHBondContact O-N 3.3Å; M1664-S1668 PolarHBondContact O-OG 2.99Å
1665	K	86.9	Confident	82.6	Confident	144 Å²	144	104.3 Å²	104.3	63%	0.626	51%	0.513	S	S	*	.	H	α-helix	trans	-65	-37.8	176.4	-131.2	170.1	-177.1	173.8	0	111.9	Q1661 W1662 K1663 Q1667 S1668 T1669	Q1661-K1665 VanDerWaalsContact O-CB 3.28Å; Q1661-K1665 WeakPolarHBondContact O-CB 3.39Å; Q1661-K1665 VanDerWaalsContact O-CG 3.27Å; Q1661-K1665 WeakPolarHBondContact O-CG 3.36Å; Q1661-K1665 PolarHBondContact O-N 2.92Å; W1662-K1665 PolarHBondContact O-N 3.09Å; K1663-K1665 PolarHBondContact O-N 3.17Å; K1665-Q1667 PolarHBondContact O-N 3.33Å; K1665-S1668 PolarHBondContact O-N 2.9Å; K1665-S1668 PolarHBondContact O-OG 3.15Å; K1665-T1669 VanDerWaalsContact O-CB 3.31Å; K1665-T1669 WeakPolarHBondContact O-CB 3.43Å; K1665-T1669 PolarHBondContact O-N 3.27Å; K1665-T1669 VanDerWaalsContact O-N 3.11Å; K1665-T1669 PolarHBondContact O-OG1 2.87Å
1666	S	80.7	Confident	82.7	Confident	76.8 Å²	76.8	102.5 Å²	102.5	54%	0.537	51%	0.51	S	S	.	.	H	α-helix	trans	-65.3	-41.6	174	-172.6	0	0	0	0	112.3	W1662 K1663 M1664 S1668 T1669 L1670	W1662-S1666 VanDerWaalsContact O-CB 3.28Å; W1662-S1666 WeakPolarHBondContact O-CB 3.36Å; W1662-S1666 PolarHBondContact O-N 3.27Å; K1663-S1666 CarbonylContact O-C 3.6Å; K1663-S1666 WeakPolarHBondContact O-CB 3.4Å; K1663-S1666 PolarHBondContact O-N 3.32Å; M1664-S1666 VanDerWaalsContact C-N 3.33Å; M1664-S1666 PolarHBondContact O-N 3.23Å; S1666-S1668 PolarHBondContact O-N 3.38Å; S1666-T1669 WeakPolarHBondContact CA-OG1 3.46Å; S1666-T1669 WeakPolarHBondContact O-CB 3.22Å; S1666-T1669 PolarHBondContact O-N 3.31Å; S1666-T1669 VanDerWaalsContact O-N 3.12Å; S1666-T1669 PolarHBondContact O-OG1 3.03Å; S1666-L1670 WeakPolarHBondContact O-CB 3.28Å; S1666-L1670 PolarHBondContact O-N 2.97Å
1667	Q	84.4	Confident	82.8	Confident	79 Å²	79	102.6 Å²	102.6	37%	0.369	51%	0.512	S	S	.	.	H	α-helix	trans	-65	-49	176.7	-73.8	-178.2	-107.6	0	0	111.5	K1663 M1664 K1665 T1669 L1670 E1671	K1663-Q1667 VanDerWaalsContact CE-OE1 3.29Å; K1663-Q1667 WeakPolarHBondContact O-CB 3.21Å; K1663-Q1667 WeakPolarHBondContact O-CG 3.47Å; K1663-Q1667 PolarHBondContact O-N 3.31Å; M1664-Q1667 PolarHBondContact O-N 3.03Å; K1665-Q1667 PolarHBondContact O-N 3.33Å; Q1667-T1669 VanDerWaalsContact C-N 3.26Å; Q1667-T1669 PolarHBondContact O-N 3.25Å; Q1667-L1670 CarbonylContact O-C 3.53Å; Q1667-L1670 WeakPolarHBondContact O-CA 3.34Å; Q1667-L1670 WeakPolarHBondContact O-CB 3.47Å; Q1667-L1670 PolarHBondContact O-N 3.2Å; Q1667-L1670 VanDerWaalsContact O-N 3.08Å; Q1667-E1671 WeakPolarHBondContact O-CB 3.47Å; Q1667-E1671 WeakPolarHBondContact O-CG 3.39Å; Q1667-E1671 PolarHBondContact O-N 3.1Å
1668	S	84.8	Confident	82.6	Confident	48.2 Å²	48.2	98.6 Å²	98.6	34%	0.337	50%	0.504	S	S	.	.	H	α-helix	trans	-62.5	-29.4	176.3	79.8	0	0	0	0	113.3	M1664 K1665 S1666 E1671 K1672	M1664-S1668 WeakPolarHBondContact O-CB 3.23Å; M1664-S1668 PolarHBondContact O-N 3.3Å; M1664-S1668 PolarHBondContact O-OG 2.99Å; K1665-S1668 PolarHBondContact O-N 2.9Å; K1665-S1668 PolarHBondContact O-OG 3.15Å; S1666-S1668 PolarHBondContact O-N 3.38Å; S1668-E1671 WeakPolarHBondContact CA-OE2 3.35Å; S1668-K1672 VanDerWaalsContact O-CB 3.3Å; S1668-K1672 WeakPolarHBondContact O-CB 3.43Å; S1668-K1672 WeakPolarHBondContact O-CD 3.43Å; S1668-K1672 VanDerWaalsContact O-CG 3.27Å; S1668-K1672 WeakPolarHBondContact O-CG 3.33Å; S1668-K1672 PolarHBondContact O-N 3.15Å
1669	T	80	Confident	82.5	Confident	73 Å²	73	98.2 Å²	98.2	45%	0.448	51%	0.509	S	S	.	.	H	α-helix	trans	-74.8	-38.5	172.4	-41.1	0	0	0	0	111.6	K1665 S1666 Q1667 K1672 L1673	K1665-T1669 VanDerWaalsContact O-CB 3.31Å; K1665-T1669 WeakPolarHBondContact O-CB 3.43Å; K1665-T1669 PolarHBondContact O-N 3.27Å; K1665-T1669 VanDerWaalsContact O-N 3.11Å; K1665-T1669 PolarHBondContact O-OG1 2.87Å; S1666-T1669 WeakPolarHBondContact CA-OG1 3.46Å; S1666-T1669 WeakPolarHBondContact O-CB 3.22Å; S1666-T1669 PolarHBondContact O-N 3.31Å; S1666-T1669 VanDerWaalsContact O-N 3.12Å; S1666-T1669 PolarHBondContact O-OG1 3.03Å; Q1667-T1669 VanDerWaalsContact C-N 3.26Å; Q1667-T1669 PolarHBondContact O-N 3.25Å; T1669-K1672 PolarHBondContact O-N 3.35Å; T1669-L1673 HydrophobicContact CG2-CD1 4.04Å; T1669-L1673 HydrophobicContact CG2-CG 4.45Å; T1669-L1673 VanDerWaalsContact O-CB 3.32Å; T1669-L1673 WeakPolarHBondContact O-CB 3.44Å; T1669-L1673 WeakPolarHBondContact O-CD1 3.46Å; T1669-L1673 VanDerWaalsContact O-CG 3.26Å; T1669-L1673 WeakPolarHBondContact O-CG 3.39Å; T1669-L1673 PolarHBondContact O-N 3.16Å
1670	L	85	Confident	82.3	Confident	109.6 Å²	109.6	97 Å²	97	57%	0.574	51%	0.505	S	S	*	.	H	α-helix	trans	-67.1	-39.1	176	-177.2	63	0	0	0	112.1	S1666 Q1667 L1673 S1674	S1666-L1670 WeakPolarHBondContact O-CB 3.28Å; S1666-L1670 PolarHBondContact O-N 2.97Å; Q1667-L1670 CarbonylContact O-C 3.53Å; Q1667-L1670 WeakPolarHBondContact O-CA 3.34Å; Q1667-L1670 WeakPolarHBondContact O-CB 3.47Å; Q1667-L1670 PolarHBondContact O-N 3.2Å; Q1667-L1670 VanDerWaalsContact O-N 3.08Å; L1670-L1673 CarbonylContact O-C 3.48Å; L1670-L1673 PolarHBondContact O-N 3.1Å; L1670-S1674 WeakPolarHBondContact O-CA 3.37Å; L1670-S1674 VanDerWaalsContact O-CB 3.23Å; L1670-S1674 WeakPolarHBondContact O-CB 3.24Å; L1670-S1674 PolarHBondContact O-N 3.11Å; L1670-S1674 PolarHBondContact O-OG 3.01Å
1671	E	85.4	Confident	82.1	Confident	110.4 Å²	110.4	94.6 Å²	94.6	52%	0.516	50%	0.503	S	S	.	.	H	α-helix	trans	-62	-50.4	173.3	-74.6	160	-167.6	0	0	110.6	Q1667 S1668 L1673 S1674 L1675	Q1667-E1671 WeakPolarHBondContact O-CB 3.47Å; Q1667-E1671 WeakPolarHBondContact O-CG 3.39Å; Q1667-E1671 PolarHBondContact O-N 3.1Å; S1668-E1671 WeakPolarHBondContact CA-OE2 3.35Å; E1671-L1673 VanDerWaalsContact C-N 3.32Å; E1671-L1673 PolarHBondContact O-N 3.13Å; E1671-S1674 WeakPolarHBondContact CA-OG 3.21Å; E1671-S1674 CarbonylContact O-C 3.51Å; E1671-S1674 WeakPolarHBondContact O-CA 3.43Å; E1671-S1674 PolarHBondContact O-N 3.13Å; E1671-S1674 VanDerWaalsContact O-N 3.1Å; E1671-S1674 PolarHBondContact O-OG 3.05Å; E1671-L1675 WeakPolarHBondContact O-CB 3.35Å; E1671-L1675 VanDerWaalsContact O-CG 3.27Å; E1671-L1675 WeakPolarHBondContact O-CG 3.31Å; E1671-L1675 PolarHBondContact O-N 3.1Å
1672	K	86.8	Confident	81.8	Confident	133.4 Å²	133.4	97.1 Å²	97.1	58%	0.58	51%	0.507	S	S	*	.	H	α-helix	trans	-61	-39.1	175.2	-70.7	178.4	-176.9	-164.7	0	112.4	S1668 T1669 S1674 L1675 T1676	S1668-K1672 VanDerWaalsContact O-CB 3.3Å; S1668-K1672 WeakPolarHBondContact O-CB 3.43Å; S1668-K1672 WeakPolarHBondContact O-CD 3.43Å; S1668-K1672 VanDerWaalsContact O-CG 3.27Å; S1668-K1672 WeakPolarHBondContact O-CG 3.33Å; S1668-K1672 PolarHBondContact O-N 3.15Å; T1669-K1672 PolarHBondContact O-N 3.35Å; K1672-S1674 VanDerWaalsContact C-N 3.34Å; K1672-S1674 PolarHBondContact O-N 3.36Å; K1672-L1675 PolarHBondContact O-N 3.03Å; K1672-T1676 WeakPolarHBondContact O-CB 3.43Å; K1672-T1676 VanDerWaalsContact O-CG2 3.28Å; K1672-T1676 WeakPolarHBondContact O-CG2 3.32Å; K1672-T1676 PolarHBondContact O-N 2.99Å; K1672-T1676 PolarHBondContact O-OG1 3.11Å
1673	L	82	Confident	81.8	Confident	97.6 Å²	97.6	92.6 Å²	92.6	51%	0.511	50%	0.496	S	S	.	.	H	α-helix	trans	-66.4	-36.6	172.9	-77	169	0	0	0	112.8	T1669 L1670 E1671 T1676 S1677	T1669-L1673 HydrophobicContact CG2-CD1 4.04Å; T1669-L1673 HydrophobicContact CG2-CG 4.45Å; T1669-L1673 VanDerWaalsContact O-CB 3.32Å; T1669-L1673 WeakPolarHBondContact O-CB 3.44Å; T1669-L1673 WeakPolarHBondContact O-CD1 3.46Å; T1669-L1673 VanDerWaalsContact O-CG 3.26Å; T1669-L1673 WeakPolarHBondContact O-CG 3.39Å; T1669-L1673 PolarHBondContact O-N 3.16Å; L1670-L1673 CarbonylContact O-C 3.48Å; L1670-L1673 PolarHBondContact O-N 3.1Å; E1671-L1673 VanDerWaalsContact C-N 3.32Å; E1671-L1673 PolarHBondContact O-N 3.13Å; L1673-T1676 WeakPolarHBondContact CA-OG1 3.38Å; L1673-T1676 PolarHBondContact O-OG1 2.99Å; L1673-T1676 VanDerWaalsContact O-OG1 3.12Å; L1673-S1677 WeakPolarHBondContact O-CA 3.38Å; L1673-S1677 WeakPolarHBondContact O-CB 3.31Å; L1673-S1677 PolarHBondContact O-N 3.3Å; L1673-S1677 PolarHBondContact O-OG 2.82Å
1674	S	82.7	Confident	81.3	Confident	65.8 Å²	65.8	89.6 Å²	89.6	46%	0.46	49%	0.485	S	S	.	.	H	α-helix	trans	-70.3	-39.1	177.3	75.8	0	0	0	0	111.7	L1670 E1671 K1672 S1677 S1678	L1670-S1674 WeakPolarHBondContact O-CA 3.37Å; L1670-S1674 VanDerWaalsContact O-CB 3.23Å; L1670-S1674 WeakPolarHBondContact O-CB 3.24Å; L1670-S1674 PolarHBondContact O-N 3.11Å; L1670-S1674 PolarHBondContact O-OG 3.01Å; E1671-S1674 WeakPolarHBondContact CA-OG 3.21Å; E1671-S1674 CarbonylContact O-C 3.51Å; E1671-S1674 WeakPolarHBondContact O-CA 3.43Å; E1671-S1674 PolarHBondContact O-N 3.13Å; E1671-S1674 VanDerWaalsContact O-N 3.1Å; E1671-S1674 PolarHBondContact O-OG 3.05Å; K1672-S1674 VanDerWaalsContact C-N 3.34Å; K1672-S1674 PolarHBondContact O-N 3.36Å; S1674-S1677 WeakPolarHBondContact CA-OG 3.35Å; S1674-S1677 CarbonylContact O-C 3.58Å; S1674-S1677 PolarHBondContact O-N 2.73Å; S1674-S1677 PolarHBondContact O-OG 3.24Å; S1674-S1678 VanDerWaalsContact O-CB 3.32Å; S1674-S1678 WeakPolarHBondContact O-CB 3.37Å; S1674-S1678 PolarHBondContact O-N 3.07Å
1675	L	83.5	Confident	81	Confident	122.4 Å²	122.4	88.1 Å²	88.1	64%	0.641	48%	0.482	S	S	*	.	H	α-helix	trans	-67.8	-46.5	176.1	-82.8	170.5	0	0	0	111.2	E1671 K1672 S1678 A1679	E1671-L1675 WeakPolarHBondContact O-CB 3.35Å; E1671-L1675 VanDerWaalsContact O-CG 3.27Å; E1671-L1675 WeakPolarHBondContact O-CG 3.31Å; E1671-L1675 PolarHBondContact O-N 3.1Å; K1672-L1675 PolarHBondContact O-N 3.03Å; L1675-S1678 WeakPolarHBondContact O-CB 3.35Å; L1675-S1678 PolarHBondContact O-N 3.18Å; L1675-A1679 VanDerWaalsContact O-CB 3.31Å; L1675-A1679 WeakPolarHBondContact O-CB 3.42Å; L1675-A1679 PolarHBondContact O-N 3.07Å
1676	T	80.2	Confident	80.4	Confident	77.8 Å²	77.8	86.1 Å²	86.1	48%	0.477	49%	0.486	S	S	.	.	H	α-helix	trans	-67	-37.5	175.1	54.2	0	0	0	0	112.3	K1672 L1673 S1678 A1679 L1680	K1672-T1676 WeakPolarHBondContact O-CB 3.43Å; K1672-T1676 VanDerWaalsContact O-CG2 3.28Å; K1672-T1676 WeakPolarHBondContact O-CG2 3.32Å; K1672-T1676 PolarHBondContact O-N 2.99Å; K1672-T1676 PolarHBondContact O-OG1 3.11Å; L1673-T1676 WeakPolarHBondContact CA-OG1 3.38Å; L1673-T1676 PolarHBondContact O-OG1 2.99Å; L1673-T1676 VanDerWaalsContact O-OG1 3.12Å; T1676-S1678 VanDerWaalsContact C-N 3.34Å; T1676-S1678 PolarHBondContact O-N 2.84Å; T1676-A1679 PolarHBondContact O-N 3.26Å; T1676-L1680 VanDerWaalsContact O-CB 3.28Å; T1676-L1680 WeakPolarHBondContact O-CB 3.38Å; T1676-L1680 VanDerWaalsContact O-CG 3.28Å; T1676-L1680 WeakPolarHBondContact O-CG 3.33Å; T1676-L1680 PolarHBondContact O-N 3.13Å
1677	S	79.2	Confident	80	Confident	68.8 Å²	68.8	87.1 Å²	87.1	48%	0.481	48%	0.484	S	S	.	.	H	α-helix	trans	-63.3	-39.9	172	167	0	0	0	0	112	L1673 S1674 A1679 L1680 A1681	L1673-S1677 WeakPolarHBondContact O-CA 3.38Å; L1673-S1677 WeakPolarHBondContact O-CB 3.31Å; L1673-S1677 PolarHBondContact O-N 3.3Å; L1673-S1677 PolarHBondContact O-OG 2.82Å; S1674-S1677 WeakPolarHBondContact CA-OG 3.35Å; S1674-S1677 CarbonylContact O-C 3.58Å; S1674-S1677 PolarHBondContact O-N 2.73Å; S1674-S1677 PolarHBondContact O-OG 3.24Å; S1677-A1679 PolarHBondContact O-N 3.41Å; S1677-L1680 CarbonylContact O-C 3.24Å; S1677-L1680 PolarHBondContact O-N 3.24Å; S1677-A1681 WeakPolarHBondContact O-CA 3.49Å; S1677-A1681 VanDerWaalsContact O-CB 3.3Å; S1677-A1681 WeakPolarHBondContact O-CB 3.43Å; S1677-A1681 PolarHBondContact O-N 3.01Å
1678	S	77.4	Confident	79.4	Confident	49 Å²	49	83.7 Å²	83.7	34%	0.343	47%	0.469	S	S	.	.	H	α-helix	trans	-67.8	-38.1	175.8	-168.5	0	0	0	0	111.9	S1674 L1675 T1676 A1681 R1682	S1674-S1678 VanDerWaalsContact O-CB 3.32Å; S1674-S1678 WeakPolarHBondContact O-CB 3.37Å; S1674-S1678 PolarHBondContact O-N 3.07Å; L1675-S1678 WeakPolarHBondContact O-CB 3.35Å; L1675-S1678 PolarHBondContact O-N 3.18Å; T1676-S1678 VanDerWaalsContact C-N 3.34Å; T1676-S1678 PolarHBondContact O-N 2.84Å; S1678-A1681 PolarHBondContact O-N 2.93Å; S1678-R1682 VanDerWaalsContact C-NH1 3.32Å; S1678-R1682 WeakPolarHBondContact O-CB 3.47Å; S1678-R1682 VanDerWaalsContact O-CG 3.25Å; S1678-R1682 WeakPolarHBondContact O-CG 3.42Å; S1678-R1682 PolarHBondContact O-N 3.09Å; S1678-R1682 PolarHBondContact O-NH1 3.28Å; S1678-R1682 PolarHBondContact OG-NH1 3.19Å; S1678-R1682 PolarHBondContact OG-NH2 2.96Å
1679	A	79.6	Confident	78.8	Confident	50.2 Å²	50.2	82.9 Å²	82.9	42%	0.415	46%	0.463	S	S	.	.	H	α-helix	trans	-66.8	-46.2	173	0	0	0	0	0	111.8	L1675 T1676 S1677 A1681 R1682 L1683	L1675-A1679 VanDerWaalsContact O-CB 3.31Å; L1675-A1679 WeakPolarHBondContact O-CB 3.42Å; L1675-A1679 PolarHBondContact O-N 3.07Å; T1676-A1679 PolarHBondContact O-N 3.26Å; S1677-A1679 PolarHBondContact O-N 3.41Å; A1679-A1681 VanDerWaalsContact C-N 3.33Å; A1679-A1681 PolarHBondContact O-N 3.36Å; A1679-R1682 PolarHBondContact O-N 3.14Å; A1679-R1682 VanDerWaalsContact O-N 3.16Å; A1679-L1683 VanDerWaalsContact O-CB 3.3Å; A1679-L1683 WeakPolarHBondContact O-CB 3.32Å; A1679-L1683 PolarHBondContact O-N 3.07Å
1680	L	78.2	Confident	78.3	Confident	100.2 Å²	100.2	89 Å²	89	53%	0.525	48%	0.478	S	S	.	.	H	α-helix	trans	-62.6	-38.1	176	-134.2	147.2	0	0	0	111.8	T1676 S1677 L1683 L1684 I2444	T1676-L1680 VanDerWaalsContact O-CB 3.28Å; T1676-L1680 WeakPolarHBondContact O-CB 3.38Å; T1676-L1680 VanDerWaalsContact O-CG 3.28Å; T1676-L1680 WeakPolarHBondContact O-CG 3.33Å; T1676-L1680 PolarHBondContact O-N 3.13Å; S1677-L1680 CarbonylContact O-C 3.24Å; S1677-L1680 PolarHBondContact O-N 3.24Å; L1680-L1683 PolarHBondContact O-N 3.11Å; L1680-L1684 HydrophobicContact CG-CD1 4.4Å; L1680-L1684 VanDerWaalsContact O-CB 3.3Å; L1680-L1684 WeakPolarHBondContact O-CB 3.39Å; L1680-L1684 WeakPolarHBondContact O-CD1 3.5Å; L1680-L1684 VanDerWaalsContact O-CG 3.23Å; L1680-L1684 WeakPolarHBondContact O-CG 3.25Å; L1680-L1684 PolarHBondContact O-N 3.27Å; L1680-I2444 HydrophobicContact CD1-CG1 4.07Å; L1680-I2444 HydrophobicContact CD1-CG2 4.38Å
1681	A	76.9	Confident	77.6	Confident	50.2 Å²	50.2	86.9 Å²	86.9	42%	0.415	46%	0.464	S	S	.	.	H	α-helix	trans	-66	-41.8	174.9	0	0	0	0	0	112.3	S1677 S1678 A1679 L1684 V1685	S1677-A1681 WeakPolarHBondContact O-CA 3.49Å; S1677-A1681 VanDerWaalsContact O-CB 3.3Å; S1677-A1681 WeakPolarHBondContact O-CB 3.43Å; S1677-A1681 PolarHBondContact O-N 3.01Å; S1678-A1681 PolarHBondContact O-N 2.93Å; A1679-A1681 VanDerWaalsContact C-N 3.33Å; A1679-A1681 PolarHBondContact O-N 3.36Å; A1681-L1684 CarbonylContact O-C 3.48Å; A1681-L1684 PolarHBondContact O-N 3.03Å; A1681-V1685 WeakPolarHBondContact O-CB 3.4Å; A1681-V1685 VanDerWaalsContact O-CG2 3.29Å; A1681-V1685 WeakPolarHBondContact O-CG2 3.36Å; A1681-V1685 PolarHBondContact O-N 3.02Å; A1681-V1685 VanDerWaalsContact O-N 3.11Å
1682	R	77.8	Confident	76.9	Confident	171.6 Å²	171.6	82 Å²	82	65%	0.648	44%	0.441	S	S	*	.	H	α-helix	trans	-62.9	-44.3	173.1	-72.6	176.9	-173.6	113	-3.5	111.5	S1678 A1679 V1685 S1686	S1678-R1682 VanDerWaalsContact C-NH1 3.32Å; S1678-R1682 WeakPolarHBondContact O-CB 3.47Å; S1678-R1682 VanDerWaalsContact O-CG 3.25Å; S1678-R1682 WeakPolarHBondContact O-CG 3.42Å; S1678-R1682 PolarHBondContact O-N 3.09Å; S1678-R1682 PolarHBondContact O-NH1 3.28Å; S1678-R1682 PolarHBondContact OG-NH1 3.19Å; S1678-R1682 PolarHBondContact OG-NH2 2.96Å; A1679-R1682 PolarHBondContact O-N 3.14Å; A1679-R1682 VanDerWaalsContact O-N 3.16Å; R1682-V1685 PolarHBondContact O-N 3.16Å; R1682-S1686 PolarHBondContact O-N 3.22Å
1683	L	79.5	Confident	76.2	Confident	91.2 Å²	91.2	76.9 Å²	76.9	48%	0.477	42%	0.42	S	S	.	.	H	α-helix	trans	-60.7	-48.3	175.8	-162.8	156.5	0	0	0	111	A1679 L1680 V1685 S1686 I1687	A1679-L1683 VanDerWaalsContact O-CB 3.3Å; A1679-L1683 WeakPolarHBondContact O-CB 3.32Å; A1679-L1683 PolarHBondContact O-N 3.07Å; L1680-L1683 PolarHBondContact O-N 3.11Å; L1683-V1685 VanDerWaalsContact C-N 3.33Å; L1683-V1685 PolarHBondContact O-N 3.22Å; L1683-S1686 CarbonylContact O-C 3.53Å; L1683-S1686 WeakPolarHBondContact O-CA 3.48Å; L1683-S1686 WeakPolarHBondContact O-CB 3.39Å; L1683-S1686 PolarHBondContact O-N 3.32Å; L1683-S1686 PolarHBondContact O-OG 2.99Å; L1683-I1687 HydrophobicContact CB-CD1 4.12Å; L1683-I1687 HydrophobicContact CD2-CD1 3.68Å; L1683-I1687 HydrophobicContact CD2-CG1 4.41Å; L1683-I1687 HydrophobicContact CG-CD1 4.34Å; L1683-I1687 WeakPolarHBondContact O-CB 3.49Å; L1683-I1687 WeakPolarHBondContact O-CG1 3.5Å; L1683-I1687 PolarHBondContact O-N 3.08Å
1684	L	75.2	Confident	75.6	Confident	59.2 Å²	59.2	75.5 Å²	75.5	31%	0.31	42%	0.423	S	S	.	.	H	α-helix	trans	-59	-40.5	177.7	-158.3	81.3	0	0	0	111.8	L1680 A1681 S1686 I1687 V1688 I1693	L1680-L1684 HydrophobicContact CG-CD1 4.4Å; L1680-L1684 VanDerWaalsContact O-CB 3.3Å; L1680-L1684 WeakPolarHBondContact O-CB 3.39Å; L1680-L1684 WeakPolarHBondContact O-CD1 3.5Å; L1680-L1684 VanDerWaalsContact O-CG 3.23Å; L1680-L1684 WeakPolarHBondContact O-CG 3.25Å; L1680-L1684 PolarHBondContact O-N 3.27Å; A1681-L1684 CarbonylContact O-C 3.48Å; A1681-L1684 PolarHBondContact O-N 3.03Å; L1684-S1686 PolarHBondContact O-N 3.26Å; L1684-I1687 HydrophobicContact CD2-CG2 4.45Å; L1684-I1687 PolarHBondContact O-N 3.19Å; L1684-V1688 HydrophobicContact CB-CG2 4.43Å; L1684-V1688 HydrophobicContact CD1-CB 4.24Å; L1684-V1688 HydrophobicContact CD1-CG2 3.71Å; L1684-V1688 HydrophobicContact CD2-CG2 3.72Å; L1684-V1688 HydrophobicContact CG-CG2 4.48Å; L1684-V1688 WeakPolarHBondContact O-CA 3.3Å; L1684-V1688 WeakPolarHBondContact O-CB 3.42Å; L1684-V1688 WeakPolarHBondContact O-CG2 3.31Å; L1684-V1688 PolarHBondContact O-N 3.15Å; L1684-I1693 HydrophobicContact CD2-CD1 4.43Å; L1684-I1693 HydrophobicContact CD2-CG1 4.28Å; L1684-I1693 HydrophobicContact CD2-CG2 3.98Å; L1684-I1693 HydrophobicContact CG-CD1 3.97Å; L1684-I1693 HydrophobicContact CG-CG1 4.11Å
1685	V	75.4	Confident	74.8	Confident	72 Å²	72	75.9 Å²	75.9	44%	0.436	42%	0.416	S	S	.	.	H	α-helix	trans	-66.6	-22.3	175.6	171.2	0	0	0	0	113.2	A1681 R1682 L1683 I1693	A1681-V1685 WeakPolarHBondContact O-CB 3.4Å; A1681-V1685 VanDerWaalsContact O-CG2 3.29Å; A1681-V1685 WeakPolarHBondContact O-CG2 3.36Å; A1681-V1685 PolarHBondContact O-N 3.02Å; A1681-V1685 VanDerWaalsContact O-N 3.11Å; R1682-V1685 PolarHBondContact O-N 3.16Å; L1683-V1685 VanDerWaalsContact C-N 3.33Å; L1683-V1685 PolarHBondContact O-N 3.22Å; V1685-I1693 HydrophobicContact CB-CD1 4.26Å; V1685-I1693 HydrophobicContact CG2-CD1 3.73Å
1686	S	73	Confident	74.2	Confident	101.2 Å²	101.2	73.4 Å²	73.4	71%	0.708	40%	0.403	S	S	*	.	H	α-helix	trans	-85.6	-25.4	173.9	113.8	0	0	0	0	113.9	R1682 L1683 L1684	R1682-S1686 PolarHBondContact O-N 3.22Å; L1683-S1686 CarbonylContact O-C 3.53Å; L1683-S1686 WeakPolarHBondContact O-CA 3.48Å; L1683-S1686 WeakPolarHBondContact O-CB 3.39Å; L1683-S1686 PolarHBondContact O-N 3.32Å; L1683-S1686 PolarHBondContact O-OG 2.99Å; L1684-S1686 PolarHBondContact O-N 3.26Å
1687	I	73.1	Confident	73.5	Confident	97.6 Å²	97.6	73.7 Å²	73.7	50%	0.501	41%	0.408	S	S	.	.	H	α-helix	trans	-95.7	-36.1	-177.8	-65	178.5	0	0	0	111.6	L1683 L1684	L1683-I1687 HydrophobicContact CB-CD1 4.12Å; L1683-I1687 HydrophobicContact CD2-CD1 3.68Å; L1683-I1687 HydrophobicContact CD2-CG1 4.41Å; L1683-I1687 HydrophobicContact CG-CD1 4.34Å; L1683-I1687 WeakPolarHBondContact O-CB 3.49Å; L1683-I1687 WeakPolarHBondContact O-CG1 3.5Å; L1683-I1687 PolarHBondContact O-N 3.08Å; L1684-I1687 HydrophobicContact CD2-CG2 4.45Å; L1684-I1687 PolarHBondContact O-N 3.19Å
1688	V	70.9	Confident	72.6	Confident	7.6 Å²	7.6	72.1 Å²	72.1	5%	0.046	40%	0.396	C	S	.	.	S	Bend	trans	-113.9	131.3	-168.1	-179.6	0	0	0	0	111.1	L1684 R1690 V1692 I1693 F1939	L1684-V1688 HydrophobicContact CB-CG2 4.43Å; L1684-V1688 HydrophobicContact CD1-CB 4.24Å; L1684-V1688 HydrophobicContact CD1-CG2 3.71Å; L1684-V1688 HydrophobicContact CD2-CG2 3.72Å; L1684-V1688 HydrophobicContact CG-CG2 4.48Å; L1684-V1688 WeakPolarHBondContact O-CA 3.3Å; L1684-V1688 WeakPolarHBondContact O-CB 3.42Å; L1684-V1688 WeakPolarHBondContact O-CG2 3.31Å; L1684-V1688 PolarHBondContact O-N 3.15Å; V1688-R1690 PolarHBondContact O-N 3.03Å; V1688-V1692 HydrophobicContact CG1-CB 3.7Å; V1688-V1692 HydrophobicContact CG1-CG1 3.82Å; V1688-V1692 HydrophobicContact CG1-CG2 4.43Å; V1688-I1693 HydrophobicContact CB-CD1 4.15Å; V1688-I1693 HydrophobicContact CB-CG1 3.97Å; V1688-I1693 HydrophobicContact CG1-CD1 4.43Å; V1688-I1693 HydrophobicContact CG1-CG1 3.73Å; V1688-I1693 WeakPolarHBondContact O-CD1 3.43Å; V1688-F1939 HydrophobicContact CB-CZ 4.48Å; V1688-F1939 HydrophobicContact CG1-CE1 4.44Å; V1688-F1939 HydrophobicContact CG1-CZ 3.77Å; V1688-F1939 HydrophobicContact CG2-CE1 3.78Å; V1688-F1939 HydrophobicContact CG2-CZ 3.89Å
1689	P	72.1	Confident	71.7	Confident	31.4 Å²	31.4	75.2 Å²	75.2	20%	0.204	42%	0.415	C	S	.	.			trans	-58.2	135.8	175.1	-25.5	35.1	0	0	0	112.8	F1691 V1692 I1693 I1850 F1947	P1689-F1691 VanDerWaalsContact C-N 3.26Å; P1689-F1691 HydrophobicContact CB-CD1 3.72Å; P1689-F1691 HydrophobicContact CB-CE1 3.32Å; P1689-F1691 HydrophobicContact CB-CZ 4.01Å; P1689-F1691 HydrophobicContact CG-CE1 4.18Å; P1689-F1691 HydrophobicContact CG-CZ 4.44Å; P1689-F1691 PolarHBondContact O-N 3.13Å; P1689-F1691 VanDerWaalsContact O-N 3.09Å; P1689-V1692 HydrophobicContact CB-CG2 4.26Å; P1689-V1692 WeakPolarHBondContact O-CA 3.36Å; P1689-V1692 VanDerWaalsContact O-CB 3.3Å; P1689-V1692 WeakPolarHBondContact O-CB 3.36Å; P1689-V1692 PolarHBondContact O-N 3.11Å; P1689-I1693 PolarHBondContact O-N 3.33Å; P1689-I1850 HydrophobicContact CB-CG2 4.37Å; P1689-I1850 HydrophobicContact CG-CG2 3.82Å; P1689-F1947 HydrophobicContact CG-CD1 4.12Å; P1689-F1947 HydrophobicContact CG-CE1 3.88Å; P1689-F1947 HydrophobicContact CG-CZ 4.46Å
1690	R	70	Confident	70.6	Confident	201.8 Å²	201.8	81.1 Å²	81.1	76%	0.762	43%	0.434	S	S	*	.	H	α-helix	trans	-53.3	-34.3	-171.7	-66.1	-178.1	179.5	-178.9	-1.4	114.8	V1688 V1692 I1693 A1694	V1688-R1690 PolarHBondContact O-N 3.03Å; R1690-V1692 VanDerWaalsContact C-N 3.28Å; R1690-V1692 PolarHBondContact O-N 2.97Å; R1690-I1693 PolarHBondContact O-N 2.97Å; R1690-A1694 PolarHBondContact O-N 2.96Å; R1690-A1694 VanDerWaalsContact O-N 3.09Å
1691	F	69.9	Low	69.5	Low	65.4 Å²	65.4	81.9 Å²	81.9	29%	0.287	43%	0.43	S	S	.	.	H	α-helix	trans	-67.3	-25	178	69.9	-92.6	0	0	0	113.5	P1689 K1695 I1850 L1865 T1867 F1947	P1689-F1691 VanDerWaalsContact C-N 3.26Å; P1689-F1691 HydrophobicContact CB-CD1 3.72Å; P1689-F1691 HydrophobicContact CB-CE1 3.32Å; P1689-F1691 HydrophobicContact CB-CZ 4.01Å; P1689-F1691 HydrophobicContact CG-CE1 4.18Å; P1689-F1691 HydrophobicContact CG-CZ 4.44Å; P1689-F1691 PolarHBondContact O-N 3.13Å; P1689-F1691 VanDerWaalsContact O-N 3.09Å; F1691-K1695 PolarHBondContact O-N 2.89Å; F1691-I1850 HydrophobicContact CD1-CD1 4.42Å; F1691-I1850 HydrophobicContact CE1-CD1 3.63Å; F1691-I1850 HydrophobicContact CE1-CG1 4.37Å; F1691-I1850 HydrophobicContact CZ-CD1 4.34Å; F1691-L1865 HydrophobicContact CE2-CD2 4.37Å; F1691-L1865 HydrophobicContact CZ-CB 4.47Å; F1691-L1865 HydrophobicContact CZ-CD1 4.46Å; F1691-L1865 HydrophobicContact CZ-CD2 4.05Å; F1691-T1867 HydrophobicContact CB-CG2 4.2Å; F1691-F1947 HydrophobicContact CZ-CZ 4.4Å
1692	V	71.3	Confident	68.3	Low	7.2 Å²	7.2	82.6 Å²	82.6	4%	0.044	44%	0.436	C	S	.	.	H	α-helix	trans	-79.4	-42	174.2	-176	0	0	0	0	109.8	V1688 P1689 R1690 A1694 K1695 I1696 Y1706 F1939 F1947	V1688-V1692 HydrophobicContact CG1-CB 3.7Å; V1688-V1692 HydrophobicContact CG1-CG1 3.82Å; V1688-V1692 HydrophobicContact CG1-CG2 4.43Å; P1689-V1692 HydrophobicContact CB-CG2 4.26Å; P1689-V1692 WeakPolarHBondContact O-CA 3.36Å; P1689-V1692 VanDerWaalsContact O-CB 3.3Å; P1689-V1692 WeakPolarHBondContact O-CB 3.36Å; P1689-V1692 PolarHBondContact O-N 3.11Å; R1690-V1692 VanDerWaalsContact C-N 3.28Å; R1690-V1692 PolarHBondContact O-N 2.97Å; V1692-A1694 VanDerWaalsContact C-N 3.31Å; V1692-A1694 PolarHBondContact O-N 3.13Å; V1692-K1695 WeakPolarHBondContact O-CA 3.37Å; V1692-K1695 PolarHBondContact O-N 3.15Å; V1692-K1695 VanDerWaalsContact O-N 3.08Å; V1692-I1696 HydrophobicContact CG1-CD1 3.89Å; V1692-I1696 HydrophobicContact CG1-CG1 4.41Å; V1692-I1696 WeakPolarHBondContact O-CG1 3.38Å; V1692-I1696 PolarHBondContact O-N 3.01Å; V1692-Y1706 HydrophobicContact CB-CE2 4.23Å; V1692-Y1706 HydrophobicContact CG1-CD1 3.97Å; V1692-Y1706 HydrophobicContact CG1-CD2 4Å; V1692-Y1706 HydrophobicContact CG1-CE1 4.09Å; V1692-Y1706 HydrophobicContact CG1-CE2 4.1Å; V1692-Y1706 HydrophobicContact CG1-CG 3.95Å; V1692-Y1706 HydrophobicContact CG2-CE1 4.22Å; V1692-Y1706 HydrophobicContact CG2-CE2 4.28Å; V1692-F1939 HydrophobicContact CG1-CE2 3.58Å; V1692-F1939 HydrophobicContact CG1-CZ 3.85Å; V1692-F1947 HydrophobicContact CG1-CD2 4.45Å; V1692-F1947 HydrophobicContact CG1-CE2 4.26Å; V1692-F1947 HydrophobicContact CG2-CD2 4.45Å; V1692-F1947 HydrophobicContact CG2-CE2 3.73Å; V1692-F1947 HydrophobicContact CG2-CZ 3.88Å
1693	I	71.9	Confident	67	Low	27.6 Å²	27.6	82.3 Å²	82.3	14%	0.142	45%	0.445	C	S	.	.	H	α-helix	trans	-57.2	-45.3	176.1	-57.7	179.2	0	0	0	110.8	L1684 V1685 V1688 P1689 R1690 K1695 I1696 S1697	L1684-I1693 HydrophobicContact CD2-CD1 4.43Å; L1684-I1693 HydrophobicContact CD2-CG1 4.28Å; L1684-I1693 HydrophobicContact CD2-CG2 3.98Å; L1684-I1693 HydrophobicContact CG-CD1 3.97Å; L1684-I1693 HydrophobicContact CG-CG1 4.11Å; V1685-I1693 HydrophobicContact CB-CD1 4.26Å; V1685-I1693 HydrophobicContact CG2-CD1 3.73Å; V1688-I1693 HydrophobicContact CB-CD1 4.15Å; V1688-I1693 HydrophobicContact CB-CG1 3.97Å; V1688-I1693 HydrophobicContact CG1-CD1 4.43Å; V1688-I1693 HydrophobicContact CG1-CG1 3.73Å; V1688-I1693 WeakPolarHBondContact O-CD1 3.43Å; P1689-I1693 PolarHBondContact O-N 3.33Å; R1690-I1693 PolarHBondContact O-N 2.97Å; I1693-K1695 VanDerWaalsContact C-N 3.29Å; I1693-K1695 PolarHBondContact O-N 3.19Å; I1693-K1695 VanDerWaalsContact O-N 3.08Å; I1693-I1696 PolarHBondContact O-N 3.03Å; I1693-I1696 VanDerWaalsContact O-N 3.1Å; I1693-S1697 VanDerWaalsContact O-CB 3.32Å; I1693-S1697 WeakPolarHBondContact O-CB 3.37Å; I1693-S1697 PolarHBondContact O-N 3.15Å; I1693-S1697 PolarHBondContact O-OG 3.13Å; I1693-S1697 VanDerWaalsContact O-OG 3.1Å
1694	A	69.3	Low	66	Low	67.4 Å²	67.4	84.6 Å²	84.6	56%	0.557	45%	0.454	S	S	*	.	H	α-helix	trans	-58.1	-30	176.7	0	0	0	0	0	113.5	R1690 V1692 S1697 C1698	R1690-A1694 PolarHBondContact O-N 2.96Å; R1690-A1694 VanDerWaalsContact O-N 3.09Å; V1692-A1694 VanDerWaalsContact C-N 3.31Å; V1692-A1694 PolarHBondContact O-N 3.13Å; A1694-S1697 WeakPolarHBondContact CA-OG 3.38Å; A1694-S1697 PolarHBondContact O-OG 3.45Å; A1694-C1698 PolarHBondContact O-SG 2.88Å; A1694-C1698 VanDerWaalsContact O-SG 3.33Å
1695	K	67.1	Low	65.4	Low	74 Å²	74	87.6 Å²	87.6	32%	0.322	47%	0.469	S	S	.	.	H	α-helix	trans	-84.1	-31.5	177.6	-116	179.4	177.7	-171.5	0	112.9	F1691 V1692 I1693 C1698 Y1706 E1869	F1691-K1695 PolarHBondContact O-N 2.89Å; V1692-K1695 WeakPolarHBondContact O-CA 3.37Å; V1692-K1695 PolarHBondContact O-N 3.15Å; V1692-K1695 VanDerWaalsContact O-N 3.08Å; I1693-K1695 VanDerWaalsContact C-N 3.29Å; I1693-K1695 PolarHBondContact O-N 3.19Å; I1693-K1695 VanDerWaalsContact O-N 3.08Å; K1695-C1698 WeakPolarHBondContact O-CB 3.45Å; K1695-Y1706 HydrophobicContact CB-CD2 4.27Å; K1695-Y1706 HydrophobicContact CB-CE2 4.15Å; K1695-Y1706 HydrophobicContact CD-CD2 3.73Å; K1695-Y1706 HydrophobicContact CD-CE2 3.82Å; K1695-Y1706 VanDerWaalsContact CD-CE2 3.49Å; K1695-Y1706 HydrophobicContact CG-CD2 4.28Å; K1695-Y1706 HydrophobicContact CG-CE2 4.3Å; K1695-E1869 WeakPolarHBondContact CE-OE2 3.46Å; K1695-E1869 VanDerWaalsContact NZ-CD 3.29Å; K1695-E1869 IonicContact NZ-OE1 3.96Å; K1695-E1869 PolarHBondContact NZ-OE1 3.24Å; K1695-E1869 VanDerWaalsContact NZ-OE1 3.13Å; K1695-E1869 IonicContact NZ-OE2 2.98Å; K1695-E1869 PolarHBondContact NZ-OE2 3.22Å
1696	I	69.5	Low	65.1	Low	69.6 Å²	69.6	87.1 Å²	87.1	36%	0.357	46%	0.46	S	S	.	.	H	α-helix	trans	-74.5	-37.6	174.3	-63.9	168.2	0	0	0	111.5	V1692 I1693 C1698 F1939	V1692-I1696 HydrophobicContact CG1-CD1 3.89Å; V1692-I1696 HydrophobicContact CG1-CG1 4.41Å; V1692-I1696 WeakPolarHBondContact O-CG1 3.38Å; V1692-I1696 PolarHBondContact O-N 3.01Å; I1693-I1696 PolarHBondContact O-N 3.03Å; I1693-I1696 VanDerWaalsContact O-N 3.1Å; I1696-C1698 PolarHBondContact O-N 3.33Å; I1696-F1939 HydrophobicContact CD1-CE2 3.74Å; I1696-F1939 HydrophobicContact CD1-CZ 3.87Å
1697	S	66.9	Low	65.3	Low	84.2 Å²	84.2	86.2 Å²	86.2	59%	0.589	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-1.8	-177.7	-44.9	0	0	0	0	114.3	I1693 A1694 P1699	I1693-S1697 VanDerWaalsContact O-CB 3.32Å; I1693-S1697 WeakPolarHBondContact O-CB 3.37Å; I1693-S1697 PolarHBondContact O-N 3.15Å; I1693-S1697 PolarHBondContact O-OG 3.13Å; I1693-S1697 VanDerWaalsContact O-OG 3.1Å; A1694-S1697 WeakPolarHBondContact CA-OG 3.38Å; A1694-S1697 PolarHBondContact O-OG 3.45Å; S1697-P1699 VanDerWaalsContact O-CD 3.28Å; S1697-P1699 WeakPolarHBondContact O-CD 3.4Å
1698	C	60.5	Low	65.4	Low	35.6 Å²	35.6	85.1 Å²	85.1	24%	0.241	45%	0.445	C	S	.	.			trans	-81.3	113	174.3	-136.5	0	0	0	0	109.2	A1694 K1695 I1696 E1700 R1701 A1702	A1694-C1698 PolarHBondContact O-SG 2.88Å; A1694-C1698 VanDerWaalsContact O-SG 3.33Å; K1695-C1698 WeakPolarHBondContact O-CB 3.45Å; I1696-C1698 PolarHBondContact O-N 3.33Å; C1698-E1700 PolarHBondContact O-N 3.13Å; C1698-E1700 VanDerWaalsContact O-N 3.11Å; C1698-R1701 PolarHBondContact O-N 3.06Å; C1698-R1701 VanDerWaalsContact O-N 3.17Å; C1698-R1701 PolarHBondContact SG-NH2 2.98Å; C1698-R1701 VanDerWaalsContact SG-NH2 3.42Å; C1698-A1702 PolarHBondContact O-N 3.26Å
1699	P	56.8	Low	65.8	Low	113 Å²	113	88.9 Å²	88.9	73%	0.734	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-62.2	-25.8	-170.3	24.5	-34.5	0	0	0	113.4	S1697 R1701 A1702	S1697-P1699 VanDerWaalsContact O-CD 3.28Å; S1697-P1699 WeakPolarHBondContact O-CD 3.4Å; P1699-R1701 VanDerWaalsContact C-N 3.31Å; P1699-R1701 PolarHBondContact O-N 3.17Å; P1699-A1702 PolarHBondContact O-N 2.82Å
1700	E	57.7	Low	66	Low	175.4 Å²	175.4	89 Å²	89	82%	0.82	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-69	-19	177.5	-127.5	171.7	-167.1	0	0	113.9	C1698	C1698-E1700 PolarHBondContact O-N 3.13Å; C1698-E1700 VanDerWaalsContact O-N 3.11Å
1701	R	53.9	Low	66.3	Low	117 Å²	117	86.8 Å²	86.8	44%	0.442	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-117.9	4.7	-176.2	-83.3	178.9	-76	-174.1	-5.5	115	C1698 P1699 I1703 E1704	C1698-R1701 PolarHBondContact O-N 3.06Å; C1698-R1701 VanDerWaalsContact O-N 3.17Å; C1698-R1701 PolarHBondContact SG-NH2 2.98Å; C1698-R1701 VanDerWaalsContact SG-NH2 3.42Å; P1699-R1701 VanDerWaalsContact C-N 3.31Å; P1699-R1701 PolarHBondContact O-N 3.17Å; R1701-I1703 PolarHBondContact O-N 2.97Å; R1701-I1703 VanDerWaalsContact O-N 3.09Å; R1701-E1704 PolarHBondContact O-N 3.25Å; R1701-E1704 VanDerWaalsContact O-N 3.13Å
1702	A	52	Low	66.6	Low	64.6 Å²	64.6	88 Å²	88	53%	0.534	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-10.2	-178.6	0	0	0	0	0	115	C1698 P1699	C1698-A1702 PolarHBondContact O-N 3.26Å; P1699-A1702 PolarHBondContact O-N 2.82Å
1703	I	51.8	Low	67.1	Low	164.8 Å²	164.8	87.7 Å²	87.7	85%	0.845	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-23.4	-179.8	-59.5	174.8	0	0	0	111.9	R1701	R1701-I1703 PolarHBondContact O-N 2.97Å; R1701-I1703 VanDerWaalsContact O-N 3.09Å
1704	E	57.9	Low	67.7	Low	140.8 Å²	140.8	86.4 Å²	86.4	66%	0.658	47%	0.469	S	S	*	.	S	Bend	trans	-89.8	115.8	-174.2	-65.7	-170.1	148	0	0	112.6	R1701 Y1706	R1701-E1704 PolarHBondContact O-N 3.25Å; R1701-E1704 VanDerWaalsContact O-N 3.13Å; E1704-Y1706 PolarHBondContact O-N 3.39Å; E1704-Y1706 VanDerWaalsContact O-N 3.12Å
1705	I	62.6	Low	68.5	Low	122.4 Å²	122.4	83.2 Å²	83.2	63%	0.628	44%	0.443	S	S	*	.			trans	-68.9	104.3	178	-60	174.6	0	0	0	109.2	S1707 F1939	I1705-S1707 PolarHBondContact O-N 3.22Å; I1705-S1707 PolarHBondContact O-OG 3.15Å; I1705-F1939 HydrophobicContact CG2-CB 4.49Å
1706	Y	69.4	Low	69.6	Low	60.4 Å²	60.4	79.7 Å²	79.7	24%	0.237	43%	0.427	C	S	.	.			trans	-61.1	102	-179	-165.5	-78.9	0	0	0	111	V1692 K1695 E1704 K1708 F1937 G1938 F1939 F1947	V1692-Y1706 HydrophobicContact CB-CE2 4.23Å; V1692-Y1706 HydrophobicContact CG1-CD1 3.97Å; V1692-Y1706 HydrophobicContact CG1-CD2 4Å; V1692-Y1706 HydrophobicContact CG1-CE1 4.09Å; V1692-Y1706 HydrophobicContact CG1-CE2 4.1Å; V1692-Y1706 HydrophobicContact CG1-CG 3.95Å; V1692-Y1706 HydrophobicContact CG2-CE1 4.22Å; V1692-Y1706 HydrophobicContact CG2-CE2 4.28Å; K1695-Y1706 HydrophobicContact CB-CD2 4.27Å; K1695-Y1706 HydrophobicContact CB-CE2 4.15Å; K1695-Y1706 HydrophobicContact CD-CD2 3.73Å; K1695-Y1706 HydrophobicContact CD-CE2 3.82Å; K1695-Y1706 VanDerWaalsContact CD-CE2 3.49Å; K1695-Y1706 HydrophobicContact CG-CD2 4.28Å; K1695-Y1706 HydrophobicContact CG-CE2 4.3Å; E1704-Y1706 PolarHBondContact O-N 3.39Å; E1704-Y1706 VanDerWaalsContact O-N 3.12Å; Y1706-K1708 HydrophobicContact CE1-CB 4.2Å; Y1706-K1708 HydrophobicContact CE2-CB 4.35Å; Y1706-F1937 HydrophobicContact CE1-CB 4.49Å; Y1706-G1938 WeakPolarHBondContact O-CA 3.38Å; Y1706-F1939 HydrophobicContact CD1-CD2 4.39Å; Y1706-F1939 HydrophobicContact CD1-CE2 4.27Å; Y1706-F1939 HydrophobicContact CG-CE2 4.38Å; Y1706-F1939 PolarHBondContact O-N 2.89Å; Y1706-F1947 HydrophobicContact CD1-CE2 4.33Å; Y1706-F1947 HydrophobicContact CE1-CE2 4.16Å
1707	S	76.1	Confident	70.5	Confident	82.2 Å²	82.2	76.4 Å²	76.4	58%	0.575	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.9	125	167.5	58.3	0	0	0	0	109.4	I1705 F1937	I1705-S1707 PolarHBondContact O-N 3.22Å; I1705-S1707 PolarHBondContact O-OG 3.15Å; S1707-F1937 CarbonylContact C-O 3.55Å; S1707-F1937 VanDerWaalsContact CA-O 3.26Å; S1707-F1937 WeakPolarHBondContact CA-O 3.4Å
1708	K	76.5	Confident	71.5	Confident	74.6 Å²	74.6	72.7 Å²	72.7	32%	0.324	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.4	174.4	-164.1	170.4	-179.4	-177.7	0	109.8	Y1706 H1710 E1869 F1937	Y1706-K1708 HydrophobicContact CE1-CB 4.2Å; Y1706-K1708 HydrophobicContact CE2-CB 4.35Å; K1708-H1710 WeakPolarHBondContact CD-NE2 3.46Å; K1708-E1869 IonicContact NZ-OE1 3.05Å; K1708-E1869 PolarHBondContact NZ-OE1 3.2Å; K1708-E1869 IonicContact NZ-OE2 3.35Å; K1708-F1937 PolarHBondContact N-O 3.28Å; K1708-F1937 PolarHBondContact O-N 2.97Å
1709	S	77.7	Confident	72.8	Confident	88.4 Å²	88.4	72.5 Å²	72.5	62%	0.618	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	139	169.1	68	0	0	0	0	110.2	C1935	S1709-C1935 CarbonylContact C-O 3.58Å; S1709-C1935 WeakPolarHBondContact CA-O 3.44Å
1710	H	77.9	Confident	74.1	Confident	31.6 Å²	31.6	67.6 Å²	67.6	15%	0.146	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.7	175.6	-78.5	-110.7	0	0	0	108.8	K1708 I1713 S1934 C1935 F1937	K1708-H1710 WeakPolarHBondContact CD-NE2 3.46Å; H1710-I1713 HydrophobicContact CB-CD1 3.4Å; H1710-I1713 HydrophobicContact CB-CG1 4.12Å; H1710-S1934 WeakPolarHBondContact O-CA 3.34Å; H1710-C1935 PolarHBondContact N-O 3.19Å; H1710-C1935 PolarHBondContact O-N 2.93Å; H1710-C1935 VanDerWaalsContact O-O 3.1Å; H1710-F1937 HydrophobicContact CB-CE2 4.35Å; H1710-F1937 AromaticContact CD2-CD2 3.9Å
1711	Q	76.3	Confident	75.2	Confident	155.6 Å²	155.6	62.1 Å²	62.1	73%	0.727	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	154.3	178.9	-64.8	179.2	-7.2	0	0	110.8	I1713	Q1711-I1713 VanDerWaalsContact C-N 3.31Å; Q1711-I1713 PolarHBondContact O-N 3.02Å
1712	N	75.8	Confident	76.3	Confident	92.6 Å²	92.6	57.8 Å²	57.8	50%	0.495	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52	58	175.1	-60.9	-18	0	0	0	113.9	W1889 G1933	N1712-W1889 WeakPolarHBondContact O-CH2 3.35Å; N1712-G1933 PolarHBondContact N-O 2.88Å
1713	I	82.3	Confident	77.1	Confident	0.6 Å²	0.6	57.7 Å²	57.7	0%	0.003	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	137.6	172.7	-80.2	172.2	0	0	0	110.2	H1710 Q1711 A1862 T1863 L1865 S1932 G1933 F1937 L1949	H1710-I1713 HydrophobicContact CB-CD1 3.4Å; H1710-I1713 HydrophobicContact CB-CG1 4.12Å; Q1711-I1713 VanDerWaalsContact C-N 3.31Å; Q1711-I1713 PolarHBondContact O-N 3.02Å; I1713-A1862 HydrophobicContact CG2-CB 4.21Å; I1713-T1863 WeakPolarHBondContact CG1-O 3.37Å; I1713-T1863 WeakPolarHBondContact CG2-O 3.35Å; I1713-L1865 HydrophobicContact CD1-CD2 3.96Å; I1713-L1865 HydrophobicContact CD1-CG 3.91Å; I1713-S1932 WeakPolarHBondContact O-CA 3.41Å; I1713-G1933 PolarHBondContact N-O 3.03Å; I1713-G1933 PolarHBondContact O-N 3.1Å; I1713-F1937 HydrophobicContact CD1-CD2 4.4Å; I1713-F1937 HydrophobicContact CD1-CE2 3.45Å; I1713-F1937 VanDerWaalsContact CD1-CE2 3.45Å; I1713-F1937 HydrophobicContact CD1-CZ 4Å; I1713-L1949 HydrophobicContact CG2-CD1 4.41Å
1714	G	83.3	Confident	77.6	Confident	0.2 Å²	0.2	52.6 Å²	52.6	0%	0.002	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.2	169.2	0	0	0	0	0	111.1	A1862 T1863 W1889 H1931	G1714-A1862 CarbonylContact O-C 3.58Å; G1714-A1862 VanDerWaalsContact O-CA 3.25Å; G1714-A1862 WeakPolarHBondContact O-CA 3.45Å; G1714-T1863 PolarHBondContact N-O 3.17Å; G1714-T1863 PolarHBondContact O-N 3.06Å; G1714-W1889 VanDerWaalsContact CA-CZ3 3.46Å; G1714-H1931 WeakPolarHBondContact CA-O 3.42Å
1715	L	87.6	Confident	77.5	Confident	0.2 Å²	0.2	47.6 Å²	47.6	0%	0.001	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132	176.8	-174.9	70.4	0	0	0	109.8	L1717 V1852 A1862 L1930 H1931 L1949 P1953 L1954 C1957	L1715-L1717 HydrophobicContact CD1-CD2 4.35Å; L1715-L1717 HydrophobicContact CD2-CD2 4.04Å; L1715-L1717 HydrophobicContact CD2-CG 4.26Å; L1715-L1717 HydrophobicContact CG-CD2 4.17Å; L1715-L1717 HydrophobicContact CG-CG 4.48Å; L1715-V1852 HydrophobicContact CD1-CG1 4.38Å; L1715-A1862 HydrophobicContact CD1-CB 4.26Å; L1715-L1930 WeakPolarHBondContact O-CA 3.39Å; L1715-H1931 PolarHBondContact N-O 3.29Å; L1715-H1931 PolarHBondContact O-N 3.22Å; L1715-H1931 VanDerWaalsContact O-N 3.14Å; L1715-L1949 HydrophobicContact CD1-CD1 4.35Å; L1715-L1949 HydrophobicContact CD1-CD2 4.17Å; L1715-L1949 HydrophobicContact CD2-CD2 4.02Å; L1715-P1953 HydrophobicContact CB-CB 4.21Å; L1715-P1953 HydrophobicContact CD2-CB 4.25Å; L1715-P1953 WeakPolarHBondContact CD2-O 3.3Å; L1715-L1954 HydrophobicContact CD2-CB 4.16Å; L1715-L1954 HydrophobicContact CD2-CD1 4.11Å; L1715-C1957 HydrophobicContact CD2-CB 4.4Å
1716	V	88.3	Confident	76.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.5	161.3	-171.7	0	0	0	0	108.2	I1718 G1860 Y1861 L1892 F1895 I1896 A1928 A1929 L1930	V1716-I1718 HydrophobicContact CB-CG1 4.41Å; V1716-I1718 HydrophobicContact CG1-CD1 4.06Å; V1716-I1718 HydrophobicContact CG1-CG1 3.54Å; V1716-I1718 VanDerWaalsContact CG1-CG1 3.49Å; V1716-G1860 CarbonylContact O-C 3.58Å; V1716-G1860 WeakPolarHBondContact O-CA 3.3Å; V1716-Y1861 PolarHBondContact N-O 3.24Å; V1716-Y1861 PolarHBondContact O-N 3.15Å; V1716-L1892 HydrophobicContact CG2-CD1 3.48Å; V1716-L1892 VanDerWaalsContact CG2-CD1 3.46Å; V1716-L1892 HydrophobicContact CG2-CD2 4.11Å; V1716-L1892 HydrophobicContact CG2-CG 3.53Å; V1716-L1892 VanDerWaalsContact CG2-CG 3.44Å; V1716-F1895 HydrophobicContact CG2-CD1 4.45Å; V1716-I1896 HydrophobicContact CB-CD1 4.35Å; V1716-I1896 HydrophobicContact CG1-CD1 3.56Å; V1716-I1896 VanDerWaalsContact CG1-CD1 3.49Å; V1716-I1896 HydrophobicContact CG1-CG1 3.86Å; V1716-I1896 HydrophobicContact CG2-CD1 3.79Å; V1716-I1896 HydrophobicContact CG2-CG1 4.16Å; V1716-A1928 HydrophobicContact CG1-CB 4.35Å; V1716-A1929 CarbonylContact C-O 3.59Å; V1716-A1929 WeakPolarHBondContact CA-O 3.42Å; V1716-L1930 HydrophobicContact CG2-CG 4.43Å
1717	L	88.9	Confident	75.3	Confident	0.8 Å²	0.8	53 Å²	53	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.5	161.1	-99.4	146.9	0	0	0	108.6	L1715 Y1853 M1858 A1928 A1929 L1954 C1957 R1958 L1961	L1715-L1717 HydrophobicContact CD1-CD2 4.35Å; L1715-L1717 HydrophobicContact CD2-CD2 4.04Å; L1715-L1717 HydrophobicContact CD2-CG 4.26Å; L1715-L1717 HydrophobicContact CG-CD2 4.17Å; L1715-L1717 HydrophobicContact CG-CG 4.48Å; L1717-Y1853 HydrophobicContact CD1-CD1 3.67Å; L1717-Y1853 HydrophobicContact CD1-CE1 4.24Å; L1717-Y1853 HydrophobicContact CD1-CG 4.39Å; L1717-Y1853 HydrophobicContact CD2-CD1 4.4Å; L1717-M1858 HydrophobicContact CD1-CB 4.23Å; L1717-M1858 HydrophobicContact CD2-SD 4.33Å; L1717-A1928 CarbonylContact O-C 3.57Å; L1717-A1928 WeakPolarHBondContact O-CA 3.34Å; L1717-A1929 PolarHBondContact N-O 2.99Å; L1717-A1929 PolarHBondContact O-N 3.35Å; L1717-L1954 HydrophobicContact CD1-CD1 4.06Å; L1717-L1954 HydrophobicContact CD2-CD1 4.06Å; L1717-L1954 HydrophobicContact CG-CD1 4.47Å; L1717-C1957 HydrophobicContact CB-CB 4.01Å; L1717-C1957 HydrophobicContact CD1-CB 3.49Å; L1717-C1957 VanDerWaalsContact CD1-CB 3.46Å; L1717-C1957 HydrophobicContact CD2-CB 4.19Å; L1717-C1957 HydrophobicContact CG-CB 3.63Å; L1717-R1958 HydrophobicContact CD1-CG 3.77Å; L1717-R1958 HydrophobicContact CD2-CB 4.45Å; L1717-R1958 HydrophobicContact CD2-CG 3.66Å; L1717-L1961 HydrophobicContact CB-CD1 3.83Å; L1717-L1961 HydrophobicContact CD1-CD1 4.24Å; L1717-L1961 HydrophobicContact CD2-CD1 3.68Å; L1717-L1961 HydrophobicContact CD2-CD2 4.22Å; L1717-L1961 HydrophobicContact CG-CD1 3.63Å
1718	I	88.6	Confident	73.6	Confident	5.6 Å²	5.6	56.6 Å²	56.6	3%	0.029	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.1	-177.5	-52.1	-176.5	0	0	0	108.5	V1716 F1720 V1782 M1858 V1859 Y1861 F1895 V1899 V1926 A1928	V1716-I1718 HydrophobicContact CB-CG1 4.41Å; V1716-I1718 HydrophobicContact CG1-CD1 4.06Å; V1716-I1718 HydrophobicContact CG1-CG1 3.54Å; V1716-I1718 VanDerWaalsContact CG1-CG1 3.49Å; I1718-F1720 HydrophobicContact CB-CE2 4.44Å; I1718-F1720 HydrophobicContact CB-CZ 4.42Å; I1718-F1720 HydrophobicContact CG2-CD1 4.46Å; I1718-F1720 HydrophobicContact CG2-CD2 4.36Å; I1718-F1720 HydrophobicContact CG2-CE1 3.91Å; I1718-F1720 HydrophobicContact CG2-CE2 3.92Å; I1718-F1720 HydrophobicContact CG2-CZ 3.58Å; I1718-V1782 HydrophobicContact CD1-CG1 4.45Å; I1718-M1858 CarbonylContact O-C 3.57Å; I1718-M1858 VanDerWaalsContact O-CA 3.29Å; I1718-M1858 WeakPolarHBondContact O-CA 3.27Å; I1718-V1859 PolarHBondContact N-O 3.2Å; I1718-V1859 PolarHBondContact O-N 3.35Å; I1718-Y1861 HydrophobicContact CD1-CD2 4.15Å; I1718-Y1861 HydrophobicContact CD1-CE2 4.27Å; I1718-F1895 HydrophobicContact CD1-CE1 3.87Å; I1718-F1895 HydrophobicContact CD1-CZ 4.45Å; I1718-V1899 HydrophobicContact CD1-CG1 4.32Å; I1718-V1899 HydrophobicContact CD1-CG2 4.41Å; I1718-V1926 HydrophobicContact CG2-CG1 3.59Å; I1718-A1928 HydrophobicContact CG1-CB 4.43Å
1719	N	87	Confident	71.7	Confident	32.6 Å²	32.6	59 Å²	59	17%	0.174	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	122.8	175	-177.4	31.1	0	0	0	109.8	T1857 M1858 Q1927 L1961	N1719-T1857 WeakPolarHBondContact OD1-CB 3.43Å; N1719-T1857 PolarHBondContact OD1-OG1 3.07Å; N1719-M1858 HydrophobicContact CB-CG 3.97Å; N1719-Q1927 HydrophobicContact CB-CB 4.3Å; N1719-Q1927 PolarHBondContact N-O 3.14Å; N1719-Q1927 PolarHBondContact ND2-OE1 2.9Å; N1719-Q1927 VanDerWaalsContact ND2-OE1 3.17Å; N1719-Q1927 PolarHBondContact O-N 3.31Å; N1719-L1961 HydrophobicContact CB-CD1 4.21Å; N1719-L1961 HydrophobicContact CB-CD2 4.21Å; N1719-L1961 HydrophobicContact CB-CG 4.28Å
1720	F	85.1	Confident	69.8	Low	8.4 Å²	8.4	59.9 Å²	59.9	4%	0.037	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110.8	179.8	-64.5	-75	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 4.42Å; I1718-F1720 HydrophobicContact CG2-CD1 4.46Å; I1718-F1720 HydrophobicContact CG2-CD2 4.36Å; I1718-F1720 HydrophobicContact CG2-CE1 3.91Å; I1718-F1720 HydrophobicContact CG2-CE2 3.92Å; I1718-F1720 HydrophobicContact CG2-CZ 3.58Å; F1720-V1722 PolarHBondContact O-N 3.19Å; F1720-L1775 HydrophobicContact CB-CD1 3.78Å; F1720-L1775 HydrophobicContact CD2-CD1 3.97Å; F1720-L1775 HydrophobicContact CG-CD1 4.18Å; F1720-V1778 HydrophobicContact CD1-CG1 3.85Å; F1720-V1778 HydrophobicContact CE1-CG1 3.54Å; F1720-V1778 VanDerWaalsContact CE1-CG1 3.46Å; F1720-V1778 HydrophobicContact CG-CG1 4.49Å; F1720-V1778 HydrophobicContact CZ-CG1 3.96Å; F1720-I1779 HydrophobicContact CE2-CG1 4.28Å; F1720-V1782 HydrophobicContact CZ-CG2 4.08Å; F1720-T1857 WeakPolarHBondContact CD2-O 3.36Å; F1720-T1857 PolarHBondContact N-O 3.19Å; F1720-T1857 WeakPolarHBondContact O-CB 3.45Å; F1720-T1857 WeakPolarHBondContact O-CG2 3.37Å; F1720-V1859 HydrophobicContact CE2-CB 4.45Å; F1720-V1859 HydrophobicContact CE2-CG2 4.21Å; F1720-V1899 HydrophobicContact CE1-CG1 4.44Å; F1720-I1924 HydrophobicContact CD1-CG2 4.41Å; F1720-V1926 HydrophobicContact CD1-CG2 4.26Å; F1720-V1926 HydrophobicContact CE1-CG2 4.19Å
1721	I	80.1	Confident	67.7	Low	61.6 Å²	61.6	66.8 Å²	66.8	32%	0.316	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	103	-179.8	-56.2	175.8	0	0	0	108.3	I1723 Y1925 Q1927	I1721-I1723 HydrophobicContact CG2-CD1 4.43Å; I1721-I1723 HydrophobicContact CG2-CG1 4.01Å; I1721-Y1925 PolarHBondContact N-O 3.15Å; I1721-Y1925 PolarHBondContact O-N 3.12Å; I1721-Q1927 HydrophobicContact CD1-CB 4.33Å
1722	V	76.6	Confident	65.9	Low	24.8 Å²	24.8	68 Å²	68	15%	0.15	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	110	176.3	-178.9	0	0	0	0	109.2	F1720 P1724 R1771 L1774 L1775 R1922 I1924	F1720-V1722 PolarHBondContact O-N 3.19Å; V1722-P1724 WeakPolarHBondContact O-CD 3.32Å; V1722-R1771 HydrophobicContact CG1-CG 4.44Å; V1722-L1774 HydrophobicContact CG1-CD2 4.15Å; V1722-L1775 HydrophobicContact CG2-CD1 4.46Å; V1722-R1922 HydrophobicContact CG1-CB 4.2Å; V1722-I1924 HydrophobicContact CG2-CG2 4.43Å
1723	I	70.2	Confident	64.1	Low	63.8 Å²	63.8	71.9 Å²	71.9	33%	0.327	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122.4	179.7	-56.6	-176.5	0	0	0	109.4	I1721 S1725 R1922 Q1923 Y1925 G1970	I1721-I1723 HydrophobicContact CG2-CD1 4.43Å; I1721-I1723 HydrophobicContact CG2-CG1 4.01Å; I1723-S1725 PolarHBondContact O-N 3.02Å; I1723-R1922 WeakPolarHBondContact O-CA 3.34Å; I1723-Q1923 PolarHBondContact N-O 3.16Å; I1723-Q1923 PolarHBondContact O-N 3.16Å; I1723-Q1923 VanDerWaalsContact O-N 3.16Å; I1723-Y1925 HydrophobicContact CD1-CD2 3.72Å; I1723-Y1925 HydrophobicContact CD1-CE2 4.01Å; I1723-Y1925 HydrophobicContact CG1-CD2 4.16Å; I1723-G1970 WeakPolarHBondContact CD1-O 3.28Å
1724	P	61.7	Low	61.7	Low	57 Å²	57	80.7 Å²	80.7	37%	0.37	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	117.9	169.8	29.4	-31.5	0	0	0	109.8	V1722 K1726	V1722-P1724 WeakPolarHBondContact O-CD 3.32Å; P1724-K1726 PolarHBondContact O-N 3.15Å; P1724-K1726 VanDerWaalsContact O-N 3.16Å
1725	S	55.1	Low	59.6	Low	35.4 Å²	35.4	89.2 Å²	89.2	25%	0.248	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-69.3	116.6	168.3	-40.4	0	0	0	0	108.4	I1723 C1920 S1921	I1723-S1725 PolarHBondContact O-N 3.02Å; S1725-C1920 PolarHBondContact O-SG 3.21Å; S1725-C1920 VanDerWaalsContact O-SG 3.42Å; S1725-S1921 VanDerWaalsContact CB-O 3.3Å; S1725-S1921 WeakPolarHBondContact CB-O 3.36Å; S1725-S1921 WeakPolarHBondContact CB-OG 3.35Å; S1725-S1921 PolarHBondContact N-O 3.1Å; S1725-S1921 PolarHBondContact OG-O 3.29Å; S1725-S1921 PolarHBondContact OG-OG 3.43Å
1726	K	42.2	Very low	57.2	Low	187 Å²	187	94.8 Å²	94.8	81%	0.813	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-56.1	130	169.2	-67.5	-178.3	178.5	-179.1	0	108.4	P1724 L1728	P1724-K1726 PolarHBondContact O-N 3.15Å; P1724-K1726 VanDerWaalsContact O-N 3.16Å; K1726-L1728 PolarHBondContact O-N 3.15Å; K1726-L1728 VanDerWaalsContact O-N 3.13Å
1727	P	44.8	Very low	54.9	Low	110.6 Å²	110.6	99.3 Å²	99.3	72%	0.718	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-61.2	126.8	174	25.6	-32.9	0	0	0	108.7	V1729	P1727-V1729 VanDerWaalsContact C-N 3.31Å; P1727-V1729 PolarHBondContact O-N 3.06Å
1728	L	38.7	Very low	52.6	Low	158.2 Å²	158.2	106.3 Å²	106.3	83%	0.828	56%	0.558	S	S	*	*			trans	-76.9	84.1	-178.5	-168.7	75.8	0	0	0	109.5	K1726 T1730	K1726-L1728 PolarHBondContact O-N 3.15Å; K1726-L1728 VanDerWaalsContact O-N 3.13Å; L1728-T1730 VanDerWaalsContact C-N 3.27Å; L1728-T1730 PolarHBondContact O-N 3.24Å; L1728-T1730 PolarHBondContact O-OG1 3.16Å; L1728-T1730 VanDerWaalsContact O-OG1 3.09Å
1729	V	38.2	Very low	50.3	Low	124.8 Å²	124.8	111.6 Å²	111.6	76%	0.756	60%	0.596	S	S	*	*			trans	-59.7	103.6	174.3	178.3	0	0	0	0	108.1	P1727 Q1731	P1727-V1729 VanDerWaalsContact C-N 3.31Å; P1727-V1729 PolarHBondContact O-N 3.06Å; V1729-Q1731 VanDerWaalsContact C-N 3.33Å; V1729-Q1731 PolarHBondContact O-N 3.3Å
1730	T	36.8	Very low	47.9	Very low	106.2 Å²	106.2	114.3 Å²	114.3	65%	0.652	62%	0.617	S	S	*	*			trans	-78.2	96.8	-169.9	-45.8	0	0	0	0	109.4	L1728 Q1732	L1728-T1730 VanDerWaalsContact C-N 3.27Å; L1728-T1730 PolarHBondContact O-N 3.24Å; L1728-T1730 PolarHBondContact O-OG1 3.16Å; L1728-T1730 VanDerWaalsContact O-OG1 3.09Å; T1730-Q1732 HydrophobicContact CG2-CB 4.43Å; T1730-Q1732 HydrophobicContact CG2-CG 4.09Å; T1730-Q1732 PolarHBondContact O-N 3.06Å
1731	Q	34.8	Very low	45.7	Very low	176.4 Å²	176.4	123.4 Å²	123.4	82%	0.824	65%	0.653	S	S	*	*			trans	-70.5	76.8	168.9	-74.5	-171.3	-24.7	0	0	110.7	V1729 Q1733	V1729-Q1731 VanDerWaalsContact C-N 3.33Å; V1729-Q1731 PolarHBondContact O-N 3.3Å; Q1731-Q1733 PolarHBondContact O-N 3.38Å
1732	Q	37.4	Very low	43.8	Very low	182 Å²	182	127.2 Å²	127.2	85%	0.85	67%	0.674	S	S	*	*			trans	-96.8	85.4	157.3	-76.3	-167.6	-10.7	0	0	108.8	T1730 K1734	T1730-Q1732 HydrophobicContact CG2-CB 4.43Å; T1730-Q1732 HydrophobicContact CG2-CG 4.09Å; T1730-Q1732 PolarHBondContact O-N 3.06Å; Q1732-K1734 PolarHBondContact O-N 3.17Å
1733	Q	37.5	Very low	42	Very low	173.6 Å²	173.6	131.1 Å²	131.1	81%	0.811	70%	0.702	S	S	*	*			trans	-87.3	108.3	-179.9	-154	174.3	6.4	0	0	110.4	Q1731 Q1735	Q1731-Q1733 PolarHBondContact O-N 3.38Å; Q1733-Q1735 PolarHBondContact O-N 3.25Å
1734	K	32.9	Very low	40.5	Very low	186 Å²	186	134.5 Å²	134.5	81%	0.809	73%	0.726	S	S	*	*			trans	66.5	83.5	144.5	-153.9	-176.4	177.4	179.4	0	115.8	Q1732 T1736	Q1732-K1734 PolarHBondContact O-N 3.17Å; K1734-T1736 HydrophobicContact CG-CG2 3.77Å; K1734-T1736 PolarHBondContact O-N 3.34Å
1735	Q	38.9	Very low	39.4	Very low	178 Å²	178	136.1 Å²	136.1	83%	0.832	74%	0.744	S	S	*	*			trans	-124.6	123.3	144.7	-78.6	176.5	11	0	0	109.9	Q1733	Q1733-Q1735 PolarHBondContact O-N 3.25Å
1736	T	38.2	Very low	38.6	Very low	117 Å²	117	139.8 Å²	139.8	72%	0.718	77%	0.77	S	S	*	*			cis	-148.4	146.3	32.3	30.8	0	0	0	0	110.6	K1734	K1734-T1736 HydrophobicContact CG-CG2 3.77Å; K1734-T1736 PolarHBondContact O-N 3.34Å
1737	S	39.8	Very low	38.4	Very low	95.6 Å²	95.6	135.1 Å²	135.1	67%	0.669	77%	0.766	S	S	*	*			trans	92.1	130	148	53.3	0	0	0	0	116.8
1738	D	40.6	Very low	38	Very low	147 Å²	147	135.6 Å²	135.6	79%	0.786	77%	0.767	S	S	*	*				111	150.9	98.6	-68.8	-35.1	0	0	0	117.6
1739	S	40.4	Very low	38	Very low	117 Å²	117	135.4 Å²	135.4	82%	0.818	76%	0.764	S	S	*	*			trans	65.9	134	167.4	75.6	0	0	0	0	118.3
1740	S	36.6	Very low	38	Very low	89 Å²	89	135.8 Å²	135.8	62%	0.622	76%	0.761	S	S	*	*			cis	162	148.2	-1.6	-179.3	0	0	0	0	113.3
1741	Y	38.3	Very low	38.2	Very low	201 Å²	201	136.8 Å²	136.8	79%	0.788	76%	0.763	S	S	*	*			trans	107.6	120.2	140.1	-79.3	-69.1	0	0	0	116.8
1742	N	41	Very low	38.4	Very low	141.2 Å²	141.2	134.3 Å²	134.3	76%	0.755	77%	0.765	S	S	*	*			trans	56.5	127	140	-57.1	-14.5	0	0	0	118.8
1743	S	38.7	Very low	38.3	Very low	106 Å²	106	134.3 Å²	134.3	74%	0.741	77%	0.765	S	S	*	*				174.8	130.1	88.5	52.3	0	0	0	0	114.9
1744	T	39.2	Very low	38.3	Very low	135.2 Å²	135.2	131.2 Å²	131.2	83%	0.829	76%	0.763	S	S	*	*				48.4	108.8	111.4	53.6	0	0	0	0	117.5
1745	A	38.4	Very low	38.4	Very low	91.4 Å²	91.4	132.2 Å²	132.2	76%	0.755	77%	0.767	S	S	*	*				175.9	126.5	124.2	0	0	0	0	0	111.2
1746	S	36.9	Very low	38.3	Very low	112.6 Å²	112.6	128.8 Å²	128.8	79%	0.787	76%	0.763	S	S	*	*				55	121	73.7	66.4	0	0	0	0	113.4
1747	A	37.7	Very low	37.9	Very low	87.8 Å²	87.8	132.9 Å²	132.9	73%	0.726	77%	0.771	S	S	*	*			cis	156.2	151.1	29.4	0	0	0	0	0	111.6
1748	T	37.8	Very low	37.6	Very low	121.6 Å²	121.6	134.2 Å²	134.2	75%	0.746	78%	0.775	S	S	*	*				113.7	121	113.6	-10.5	0	0	0	0	113.7
1749	M	38.4	Very low	37.3	Very low	154 Å²	154	135.3 Å²	135.3	76%	0.759	78%	0.775	S	S	*	*				69	139.1	67.4	-78.7	-151.2	154.7	0	0	114.4
1750	N	38.9	Very low	37.1	Very low	132.2 Å²	132.2	135 Å²	135	71%	0.707	77%	0.768	S	S	*	*				137.7	133.3	82.8	-72.1	-21	0	0	0	113.3
1751	N	41.1	Very low	37.4	Very low	127.6 Å²	127.6	136.8 Å²	136.8	68%	0.682	77%	0.771	S	S	*	*				-94.7	135.7	55.4	-72.9	-15.2	0	0	0	113	E1753	N1751-E1753 HydrophobicContact CB-CG 4.16Å; N1751-E1753 PolarHBondContact ND2-OE2 3.06Å
1752	S	37.4	Very low	37.6	Very low	124.6 Å²	124.6	134.2 Å²	134.2	87%	0.871	77%	0.771	S	S	*	*			trans	-157.7	86.8	159.3	-59.2	0	0	0	0	110.7	S1754	S1752-S1754 PolarHBondContact O-N 3.34Å
1753	E	36.4	Very low	38.4	Very low	182.4 Å²	182.4	131.7 Å²	131.7	85%	0.852	75%	0.754	S	S	*	*			trans	-64.4	122.2	166.8	-83.5	176.6	123.5	0	0	111.9	N1751	N1751-E1753 HydrophobicContact CB-CG 4.16Å; N1751-E1753 PolarHBondContact ND2-OE2 3.06Å
1754	S	36.7	Very low	39.7	Very low	108.8 Å²	108.8	132.5 Å²	132.5	76%	0.761	75%	0.746	S	S	*	*			trans	159	105.9	154.3	-98.9	0	0	0	0	116	S1752 S1756	S1752-S1754 PolarHBondContact O-N 3.34Å; S1754-S1756 VanDerWaalsContact C-N 3.28Å; S1754-S1756 PolarHBondContact O-N 3.25Å
1755	K	34.6	Very low	41.2	Very low	205.2 Å²	205.2	130.9 Å²	130.9	89%	0.892	74%	0.739	S	S	*	*			trans	-15	102.5	146.2	-71	167.3	-177.5	170	0	115.1	K1757	K1755-K1757 PolarHBondContact O-N 3.41Å
1756	S	37	Very low	42.9	Very low	108 Å²	108	130.1 Å²	130.1	76%	0.755	72%	0.724	S	S	*	*			trans	-120.7	109.7	145.4	57	0	0	0	0	112.3	S1754 T1758	S1754-S1756 VanDerWaalsContact C-N 3.28Å; S1754-S1756 PolarHBondContact O-N 3.25Å; S1756-T1758 PolarHBondContact O-N 3.14Å
1757	K	30.9	Very low	44.5	Very low	201.8 Å²	201.8	127.3 Å²	127.3	88%	0.877	70%	0.699	S	S	*	*			trans	-61.1	103.1	149.1	-82.1	-175.9	175.5	-179.7	0	109.4	K1755 Q1759	K1755-K1757 PolarHBondContact O-N 3.41Å; K1757-Q1759 PolarHBondContact O-N 3.38Å
1758	T	32.7	Very low	46.3	Very low	123.8 Å²	123.8	126.7 Å²	126.7	76%	0.76	68%	0.683	S	S	*	*			trans	-175	100.6	159.3	-57.1	0	0	0	0	110.3	S1756 V1760	S1756-T1758 PolarHBondContact O-N 3.14Å; T1758-V1760 PolarHBondContact O-N 3.24Å
1759	Q	33.7	Very low	48.2	Very low	170.6 Å²	170.6	122.9 Å²	122.9	80%	0.797	66%	0.663	S	S	*	*			trans	-110.7	101.5	164.5	-124.6	171.3	5.6	0	0	110.6	K1757 N1761 N1762	K1757-Q1759 PolarHBondContact O-N 3.38Å; Q1759-N1761 PolarHBondContact O-N 3.43Å; Q1759-N1762 PolarHBondContact NE2-ND2 3.43Å; Q1759-N1762 PolarHBondContact OE1-ND2 3.45Å
1760	V	36.6	Very low	50	Low	110.6 Å²	110.6	118.6 Å²	118.6	67%	0.67	64%	0.643	S	S	*	*			trans	-112.1	120.6	163.2	177.3	0	0	0	0	107.6	T1758 N1762	T1758-V1760 PolarHBondContact O-N 3.24Å; V1760-N1762 PolarHBondContact O-N 2.92Å; V1760-N1762 VanDerWaalsContact O-N 3.1Å
1761	N	42.2	Very low	51.7	Low	125.4 Å²	125.4	115.4 Å²	115.4	67%	0.671	62%	0.621	S	S	*	*	S	Bend	trans	62.3	44.1	170.7	-58	-12.2	0	0	0	117.1	Q1759 E1763	Q1759-N1761 PolarHBondContact O-N 3.43Å; N1761-E1763 HydrophobicContact CB-CG 3.85Å; N1761-E1763 PolarHBondContact O-N 2.67Å
1762	N	44.1	Very low	53.6	Low	148.2 Å²	148.2	112.7 Å²	112.7	79%	0.793	61%	0.61	S	S	*	*			trans	-103.6	86.1	159.2	-74.5	-16.7	0	0	0	109.2	Q1759 V1760 E1764	Q1759-N1762 PolarHBondContact NE2-ND2 3.43Å; Q1759-N1762 PolarHBondContact OE1-ND2 3.45Å; V1760-N1762 PolarHBondContact O-N 2.92Å; V1760-N1762 VanDerWaalsContact O-N 3.1Å; N1762-E1764 PolarHBondContact O-N 3.15Å
1763	E	57.6	Low	55.7	Low	87.8 Å²	87.8	114.6 Å²	114.6	41%	0.41	60%	0.598	S	S	.	*			trans	-68.2	120.1	163.8	-71.2	-164.9	176.2	0	0	107.8	N1761 I1768 R1771 W2398	N1761-E1763 HydrophobicContact CB-CG 3.85Å; N1761-E1763 PolarHBondContact O-N 2.67Å; E1763-I1768 HydrophobicContact CB-CD1 4.12Å; E1763-I1768 HydrophobicContact CB-CG1 4.11Å; E1763-I1768 WeakPolarHBondContact OE2-CG1 3.42Å; E1763-R1771 IonicContact OE1-CZ 3.41Å; E1763-R1771 IonicContact OE1-NH1 3.47Å; E1763-R1771 PolarHBondContact OE1-NH1 3.09Å; E1763-R1771 IonicContact OE1-NH2 3.16Å; E1763-R1771 PolarHBondContact OE1-NH2 3.43Å; E1763-R1771 IonicContact OE2-CZ 3.1Å; E1763-R1771 IonicContact OE2-NH1 3.33Å; E1763-R1771 PolarHBondContact OE2-NH1 3.21Å; E1763-R1771 IonicContact OE2-NH2 3.35Å; E1763-R1771 PolarHBondContact OE2-NH2 3.19Å; E1763-W2398 PolarHBondContact OE2-NE1 3.39Å
1764	E	65.1	Low	57.8	Low	122 Å²	122	107.8 Å²	107.8	57%	0.57	57%	0.567	S	S	*	*			trans	-64.9	138.8	178.6	-148.2	-175.2	130.3	0	0	109.6	N1762 T1766 E1767 I1768	N1762-E1764 PolarHBondContact O-N 3.15Å; E1764-T1766 WeakPolarHBondContact CB-OG1 3.4Å; E1764-T1766 HydrophobicContact CG-CG2 4.48Å; E1764-T1766 VanDerWaalsContact CG-OG1 3.28Å; E1764-T1766 WeakPolarHBondContact CG-OG1 3.29Å; E1764-T1766 PolarHBondContact O-N 3.08Å; E1764-T1766 WeakPolarHBondContact OE1-CB 3.45Å; E1764-T1766 VanDerWaalsContact OE1-CG2 3.28Å; E1764-T1766 WeakPolarHBondContact OE1-CG2 3.4Å; E1764-T1766 PolarHBondContact OE1-OG1 3.11Å; E1764-T1766 PolarHBondContact OE2-OG1 3.12Å; E1764-E1767 WeakPolarHBondContact O-CB 3.28Å; E1764-E1767 PolarHBondContact O-N 3.28Å; E1764-I1768 PolarHBondContact O-N 2.97Å; E1764-I1768 VanDerWaalsContact O-N 3.1Å
1765	P	71	Confident	60.1	Low	103 Å²	103	104.1 Å²	104.1	67%	0.669	54%	0.538	S	S	*	.	H	α-helix	trans	-59	-21.1	-178.4	21.7	-33.9	0	0	0	113.6	A1769	P1765-A1769 VanDerWaalsContact O-CB 3.3Å; P1765-A1769 WeakPolarHBondContact O-CB 3.37Å; P1765-A1769 PolarHBondContact O-N 3.04Å
1766	T	73.1	Confident	62.5	Low	74 Å²	74	98.8 Å²	98.8	45%	0.454	52%	0.52	S	S	.	.	H	α-helix	trans	-63.9	-45.8	169.9	52	0	0	0	0	112.5	E1764 I1768 A1769 D1770	E1764-T1766 WeakPolarHBondContact CB-OG1 3.4Å; E1764-T1766 HydrophobicContact CG-CG2 4.48Å; E1764-T1766 VanDerWaalsContact CG-OG1 3.28Å; E1764-T1766 WeakPolarHBondContact CG-OG1 3.29Å; E1764-T1766 PolarHBondContact O-N 3.08Å; E1764-T1766 WeakPolarHBondContact OE1-CB 3.45Å; E1764-T1766 VanDerWaalsContact OE1-CG2 3.28Å; E1764-T1766 WeakPolarHBondContact OE1-CG2 3.4Å; E1764-T1766 PolarHBondContact OE1-OG1 3.11Å; E1764-T1766 PolarHBondContact OE2-OG1 3.12Å; T1766-I1768 VanDerWaalsContact C-N 3.33Å; T1766-I1768 PolarHBondContact O-N 3.2Å; T1766-A1769 PolarHBondContact O-N 3.15Å; T1766-D1770 WeakPolarHBondContact O-CB 3.23Å; T1766-D1770 PolarHBondContact O-N 2.92Å
1767	E	71.7	Confident	64.7	Low	54.2 Å²	54.2	99 Å²	99	25%	0.253	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-42.8	176.1	-166.9	167.3	-153.9	0	0	111.2	E1764 A1769 D1770 R1771 R1922	E1764-E1767 WeakPolarHBondContact O-CB 3.28Å; E1764-E1767 PolarHBondContact O-N 3.28Å; E1767-A1769 VanDerWaalsContact C-N 3.34Å; E1767-A1769 PolarHBondContact O-N 3.39Å; E1767-D1770 PolarHBondContact O-N 3.15Å; E1767-R1771 HydrophobicContact CG-CG 4.38Å; E1767-R1771 WeakPolarHBondContact O-CB 3.41Å; E1767-R1771 VanDerWaalsContact O-CG 3.28Å; E1767-R1771 WeakPolarHBondContact O-CG 3.42Å; E1767-R1771 PolarHBondContact O-N 3.13Å; E1767-R1771 IonicContact OE2-CZ 2.77Å; E1767-R1771 IonicContact OE2-NE 2.81Å; E1767-R1771 IonicContact OE2-NH2 3.76Å; E1767-R1771 PolarHBondContact OE2-NH2 3.32Å; E1767-R1922 IonicContact OE1-CZ 3.47Å; E1767-R1922 VanDerWaalsContact OE1-CZ 3.32Å; E1767-R1922 IonicContact OE1-NE 2.97Å; E1767-R1922 PolarHBondContact OE1-NE 3.19Å; E1767-R1922 VanDerWaalsContact OE1-NE 3.16Å; E1767-R1922 IonicContact OE1-NH2 3.43Å; E1767-R1922 PolarHBondContact OE1-NH2 3.18Å
1768	I	75.5	Confident	67.2	Low	75.2 Å²	75.2	89.5 Å²	89.5	39%	0.386	46%	0.463	S	S	.	.	H	α-helix	trans	-62.4	-46.9	176.8	-58.3	175.6	0	0	0	110.2	E1763 E1764 T1766 D1770 R1771 V1772 W2398	E1763-I1768 HydrophobicContact CB-CD1 4.12Å; E1763-I1768 HydrophobicContact CB-CG1 4.11Å; E1763-I1768 WeakPolarHBondContact OE2-CG1 3.42Å; E1764-I1768 PolarHBondContact O-N 2.97Å; E1764-I1768 VanDerWaalsContact O-N 3.1Å; T1766-I1768 VanDerWaalsContact C-N 3.33Å; T1766-I1768 PolarHBondContact O-N 3.2Å; I1768-D1770 VanDerWaalsContact C-N 3.33Å; I1768-D1770 PolarHBondContact O-N 3.13Å; I1768-R1771 PolarHBondContact O-N 3.14Å; I1768-V1772 WeakPolarHBondContact O-CG2 3.36Å; I1768-V1772 PolarHBondContact O-N 3.12Å; I1768-W2398 HydrophobicContact CD1-CH2 4.43Å; I1768-W2398 HydrophobicContact CD1-CZ2 4.09Å
1769	A	78.3	Confident	69.7	Low	41 Å²	41	85 Å²	85	34%	0.339	43%	0.434	S	S	.	.	H	α-helix	trans	-59.9	-40.8	177.5	0	0	0	0	0	112.5	P1765 T1766 E1767 V1772 R1773	P1765-A1769 VanDerWaalsContact O-CB 3.3Å; P1765-A1769 WeakPolarHBondContact O-CB 3.37Å; P1765-A1769 PolarHBondContact O-N 3.04Å; T1766-A1769 PolarHBondContact O-N 3.15Å; E1767-A1769 VanDerWaalsContact C-N 3.34Å; E1767-A1769 PolarHBondContact O-N 3.39Å; A1769-V1772 PolarHBondContact O-N 3.02Å; A1769-R1773 WeakPolarHBondContact O-CB 3.37Å; A1769-R1773 WeakPolarHBondContact O-CD 3.24Å; A1769-R1773 VanDerWaalsContact O-CG 3.24Å; A1769-R1773 WeakPolarHBondContact O-CG 3.42Å; A1769-R1773 PolarHBondContact O-N 3.27Å
1770	D	75	Confident	72.2	Confident	64.2 Å²	64.2	82.6 Å²	82.6	34%	0.343	42%	0.422	S	S	.	.	H	α-helix	trans	-71.1	-35	177	-80.5	-9.2	0	0	0	113.3	T1766 E1767 I1768 V1772 R1773 L1774	T1766-D1770 WeakPolarHBondContact O-CB 3.23Å; T1766-D1770 PolarHBondContact O-N 2.92Å; E1767-D1770 PolarHBondContact O-N 3.15Å; I1768-D1770 VanDerWaalsContact C-N 3.33Å; I1768-D1770 PolarHBondContact O-N 3.13Å; D1770-V1772 VanDerWaalsContact C-N 3.31Å; D1770-V1772 PolarHBondContact O-N 3.2Å; D1770-R1773 PolarHBondContact O-N 2.81Å; D1770-R1773 VanDerWaalsContact OD1-CD 3.31Å; D1770-R1773 WeakPolarHBondContact OD1-CD 3.42Å; D1770-R1773 IonicContact OD1-CZ 2.98Å; D1770-R1773 IonicContact OD1-NE 3.44Å; D1770-R1773 IonicContact OD1-NH1 3.25Å; D1770-R1773 PolarHBondContact OD1-NH1 3.27Å; D1770-L1774 VanDerWaalsContact O-CB 3.3Å; D1770-L1774 WeakPolarHBondContact O-CB 3.33Å; D1770-L1774 PolarHBondContact O-N 3.2Å
1771	R	74.9	Confident	74.4	Confident	65 Å²	65	78.1 Å²	78.1	25%	0.245	40%	0.395	C	S	.	.	H	α-helix	trans	-62.7	-42.5	171	-71.9	170.1	88.8	-178.8	10.2	110.9	V1722 E1763 E1767 I1768 L1774 L1775	V1722-R1771 HydrophobicContact CG1-CG 4.44Å; E1763-R1771 IonicContact OE1-CZ 3.41Å; E1763-R1771 IonicContact OE1-NH1 3.47Å; E1763-R1771 PolarHBondContact OE1-NH1 3.09Å; E1763-R1771 IonicContact OE1-NH2 3.16Å; E1763-R1771 PolarHBondContact OE1-NH2 3.43Å; E1763-R1771 IonicContact OE2-CZ 3.1Å; E1763-R1771 IonicContact OE2-NH1 3.33Å; E1763-R1771 PolarHBondContact OE2-NH1 3.21Å; E1763-R1771 IonicContact OE2-NH2 3.35Å; E1763-R1771 PolarHBondContact OE2-NH2 3.19Å; E1767-R1771 HydrophobicContact CG-CG 4.38Å; E1767-R1771 WeakPolarHBondContact O-CB 3.41Å; E1767-R1771 VanDerWaalsContact O-CG 3.28Å; E1767-R1771 WeakPolarHBondContact O-CG 3.42Å; E1767-R1771 PolarHBondContact O-N 3.13Å; E1767-R1771 IonicContact OE2-CZ 2.77Å; E1767-R1771 IonicContact OE2-NE 2.81Å; E1767-R1771 IonicContact OE2-NH2 3.76Å; E1767-R1771 PolarHBondContact OE2-NH2 3.32Å; I1768-R1771 PolarHBondContact O-N 3.14Å; R1771-L1774 PolarHBondContact O-N 3.07Å; R1771-L1775 WeakPolarHBondContact O-CB 3.4Å; R1771-L1775 PolarHBondContact O-N 3.24Å
1772	V	80.9	Confident	76.5	Confident	71.6 Å²	71.6	72.2 Å²	72.2	43%	0.434	36%	0.363	S	S	.	.	H	α-helix	trans	-67.1	-42.5	176.2	172.6	0	0	0	0	111.8	I1768 A1769 D1770 L1774 L1775 N1776	I1768-V1772 WeakPolarHBondContact O-CG2 3.36Å; I1768-V1772 PolarHBondContact O-N 3.12Å; A1769-V1772 PolarHBondContact O-N 3.02Å; D1770-V1772 VanDerWaalsContact C-N 3.31Å; D1770-V1772 PolarHBondContact O-N 3.2Å; V1772-L1774 VanDerWaalsContact C-N 3.33Å; V1772-L1774 PolarHBondContact O-N 3.19Å; V1772-L1775 PolarHBondContact O-N 3.19Å; V1772-N1776 VanDerWaalsContact O-CB 3.24Å; V1772-N1776 WeakPolarHBondContact O-CB 3.29Å; V1772-N1776 VanDerWaalsContact O-CG 3.3Å; V1772-N1776 PolarHBondContact O-N 3.17Å; V1772-N1776 PolarHBondContact O-ND2 3.19Å
1773	R	81.8	Confident	78.5	Confident	164.4 Å²	164.4	66.9 Å²	66.9	62%	0.62	33%	0.334	S	S	*	.	H	α-helix	trans	-58.3	-45.4	173.2	-76.9	166.9	172.2	159.9	-1.8	112	A1769 D1770 N1776 R1777	A1769-R1773 WeakPolarHBondContact O-CB 3.37Å; A1769-R1773 WeakPolarHBondContact O-CD 3.24Å; A1769-R1773 VanDerWaalsContact O-CG 3.24Å; A1769-R1773 WeakPolarHBondContact O-CG 3.42Å; A1769-R1773 PolarHBondContact O-N 3.27Å; D1770-R1773 PolarHBondContact O-N 2.81Å; D1770-R1773 VanDerWaalsContact OD1-CD 3.31Å; D1770-R1773 WeakPolarHBondContact OD1-CD 3.42Å; D1770-R1773 IonicContact OD1-CZ 2.98Å; D1770-R1773 IonicContact OD1-NE 3.44Å; D1770-R1773 IonicContact OD1-NH1 3.25Å; D1770-R1773 PolarHBondContact OD1-NH1 3.27Å; R1773-N1776 PolarHBondContact O-N 3.25Å; R1773-R1777 WeakPolarHBondContact O-CB 3.41Å; R1773-R1777 PolarHBondContact O-N 3.19Å; R1773-R1777 VanDerWaalsContact O-N 3.11Å
1774	L	80.5	Confident	79.7	Confident	40 Å²	40	64.1 Å²	64.1	21%	0.209	33%	0.325	C	S	.	.	H	α-helix	trans	-65.6	-44.9	178.9	-174.6	75	0	0	0	111.4	V1722 D1770 R1771 V1772 R1777 V1778 R1922 I1924	V1722-L1774 HydrophobicContact CG1-CD2 4.15Å; D1770-L1774 VanDerWaalsContact O-CB 3.3Å; D1770-L1774 WeakPolarHBondContact O-CB 3.33Å; D1770-L1774 PolarHBondContact O-N 3.2Å; R1771-L1774 PolarHBondContact O-N 3.07Å; V1772-L1774 VanDerWaalsContact C-N 3.33Å; V1772-L1774 PolarHBondContact O-N 3.19Å; L1774-R1777 WeakPolarHBondContact O-CB 3.34Å; L1774-R1777 PolarHBondContact O-N 3.17Å; L1774-V1778 HydrophobicContact CD2-CG2 4.44Å; L1774-V1778 WeakPolarHBondContact O-CG2 3.28Å; L1774-V1778 PolarHBondContact O-N 3.16Å; L1774-R1922 HydrophobicContact CD2-CB 4.02Å; L1774-I1924 HydrophobicContact CD1-CD1 3.93Å; L1774-I1924 HydrophobicContact CD2-CD1 3.85Å; L1774-I1924 HydrophobicContact CD2-CG1 4.25Å; L1774-I1924 HydrophobicContact CG-CD1 3.75Å
1775	L	84.5	Confident	80.5	Confident	29.4 Å²	29.4	59.8 Å²	59.8	15%	0.154	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-47.7	175.6	-177.9	63.6	0	0	0	111.5	F1720 V1722 R1771 V1772 R1777 V1778 I1779 T1857	F1720-L1775 HydrophobicContact CB-CD1 3.78Å; F1720-L1775 HydrophobicContact CD2-CD1 3.97Å; F1720-L1775 HydrophobicContact CG-CD1 4.18Å; V1722-L1775 HydrophobicContact CG2-CD1 4.46Å; R1771-L1775 WeakPolarHBondContact O-CB 3.4Å; R1771-L1775 PolarHBondContact O-N 3.24Å; V1772-L1775 PolarHBondContact O-N 3.19Å; L1775-R1777 VanDerWaalsContact C-N 3.29Å; L1775-R1777 PolarHBondContact O-N 3.16Å; L1775-V1778 WeakPolarHBondContact O-CB 3.48Å; L1775-V1778 PolarHBondContact O-N 3.2Å; L1775-V1778 VanDerWaalsContact O-N 3.12Å; L1775-I1779 HydrophobicContact CD1-CD1 3.91Å; L1775-I1779 HydrophobicContact CD1-CG1 4.18Å; L1775-I1779 HydrophobicContact CD2-CD1 4.47Å; L1775-I1779 HydrophobicContact CG-CD1 3.84Å; L1775-I1779 HydrophobicContact CG-CG1 4.41Å; L1775-I1779 WeakPolarHBondContact O-CB 3.4Å; L1775-I1779 VanDerWaalsContact O-CG1 3.3Å; L1775-I1779 WeakPolarHBondContact O-CG1 3.27Å; L1775-I1779 PolarHBondContact O-N 3.17Å; L1775-T1857 HydrophobicContact CD2-CG2 4.43Å
1776	N	85.1	Confident	80.9	Confident	94.8 Å²	94.8	55.1 Å²	55.1	51%	0.507	28%	0.275	S	S	.	.	H	α-helix	trans	-60.3	-37.5	176.7	-74	-13	0	0	0	112.1	V1772 R1773 I1779 H1780	V1772-N1776 VanDerWaalsContact O-CB 3.24Å; V1772-N1776 WeakPolarHBondContact O-CB 3.29Å; V1772-N1776 VanDerWaalsContact O-CG 3.3Å; V1772-N1776 PolarHBondContact O-N 3.17Å; V1772-N1776 PolarHBondContact O-ND2 3.19Å; R1773-N1776 PolarHBondContact O-N 3.25Å; N1776-I1779 PolarHBondContact O-N 3.21Å; N1776-H1780 VanDerWaalsContact O-CB 3.29Å; N1776-H1780 WeakPolarHBondContact O-CB 3.35Å; N1776-H1780 PolarHBondContact O-N 3.26Å
1777	R	83.2	Confident	80.8	Confident	112.8 Å²	112.8	56.6 Å²	56.6	43%	0.426	28%	0.28	S	S	.	.	H	α-helix	trans	-65.7	-39.6	175.1	-169.5	178.1	-172.5	153.9	4.3	112.3	R1773 L1774 L1775 L1781 N1823 F1827	R1773-R1777 WeakPolarHBondContact O-CB 3.41Å; R1773-R1777 PolarHBondContact O-N 3.19Å; R1773-R1777 VanDerWaalsContact O-N 3.11Å; L1774-R1777 WeakPolarHBondContact O-CB 3.34Å; L1774-R1777 PolarHBondContact O-N 3.17Å; L1775-R1777 VanDerWaalsContact C-N 3.29Å; L1775-R1777 PolarHBondContact O-N 3.16Å; R1777-L1781 WeakPolarHBondContact O-CD1 3.41Å; R1777-L1781 VanDerWaalsContact O-CG 3.32Å; R1777-L1781 WeakPolarHBondContact O-CG 3.37Å; R1777-L1781 PolarHBondContact O-N 3.09Å; R1777-L1781 VanDerWaalsContact O-N 3.08Å; R1777-N1823 PolarHBondContact NH1-OD1 3.4Å; R1777-N1823 PolarHBondContact NH2-O 2.69Å; R1777-N1823 PolarHBondContact NH2-OD1 2.81Å; R1777-N1823 VanDerWaalsContact NH2-OD1 3.14Å; R1777-F1827 HydrophobicContact CG-CD1 4.45Å; R1777-F1827 HydrophobicContact CG-CE1 4.32Å; R1777-F1827 HydrophobicContact CG-CE2 4.46Å; R1777-F1827 HydrophobicContact CG-CZ 3.74Å; R1777-F1827 VanDerWaalsContact NE-CZ 3.31Å; R1777-F1827 VanDerWaalsContact NH2-CE2 3.35Å
1778	V	84.4	Confident	80.4	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.012	28%	0.284	C	S	.	.	H	α-helix	trans	-66.3	-48.6	173.7	174.8	0	0	0	0	110.6	F1720 L1774 L1775 H1780 L1781 V1782 I1906 I1924	F1720-V1778 HydrophobicContact CD1-CG1 3.85Å; F1720-V1778 HydrophobicContact CE1-CG1 3.54Å; F1720-V1778 VanDerWaalsContact CE1-CG1 3.46Å; F1720-V1778 HydrophobicContact CG-CG1 4.49Å; F1720-V1778 HydrophobicContact CZ-CG1 3.96Å; L1774-V1778 HydrophobicContact CD2-CG2 4.44Å; L1774-V1778 WeakPolarHBondContact O-CG2 3.28Å; L1774-V1778 PolarHBondContact O-N 3.16Å; L1775-V1778 WeakPolarHBondContact O-CB 3.48Å; L1775-V1778 PolarHBondContact O-N 3.2Å; L1775-V1778 VanDerWaalsContact O-N 3.12Å; V1778-H1780 VanDerWaalsContact C-N 3.3Å; V1778-H1780 PolarHBondContact O-N 3.27Å; V1778-L1781 WeakPolarHBondContact O-CB 3.35Å; V1778-L1781 PolarHBondContact O-N 3.26Å; V1778-L1781 VanDerWaalsContact O-N 3.1Å; V1778-V1782 HydrophobicContact CG1-CG2 4.35Å; V1778-V1782 WeakPolarHBondContact O-CG2 3.42Å; V1778-V1782 PolarHBondContact O-N 3.19Å; V1778-V1782 VanDerWaalsContact O-N 3.08Å; V1778-I1906 HydrophobicContact CG2-CD1 4.04Å; V1778-I1924 HydrophobicContact CG2-CD1 3.59Å
1779	I	85.5	Confident	79.1	Confident	29 Å²	29	58.6 Å²	58.6	15%	0.149	30%	0.297	C	S	.	.	H	α-helix	trans	-58.4	-43	179.2	-67.6	172.9	0	0	0	110.7	F1720 L1775 N1776 L1781 V1782 D1783 K1851 V1859	F1720-I1779 HydrophobicContact CE2-CG1 4.28Å; L1775-I1779 HydrophobicContact CD1-CD1 3.91Å; L1775-I1779 HydrophobicContact CD1-CG1 4.18Å; L1775-I1779 HydrophobicContact CD2-CD1 4.47Å; L1775-I1779 HydrophobicContact CG-CD1 3.84Å; L1775-I1779 HydrophobicContact CG-CG1 4.41Å; L1775-I1779 WeakPolarHBondContact O-CB 3.4Å; L1775-I1779 VanDerWaalsContact O-CG1 3.3Å; L1775-I1779 WeakPolarHBondContact O-CG1 3.27Å; L1775-I1779 PolarHBondContact O-N 3.17Å; N1776-I1779 PolarHBondContact O-N 3.21Å; I1779-L1781 VanDerWaalsContact C-N 3.32Å; I1779-L1781 PolarHBondContact O-N 3.07Å; I1779-V1782 PolarHBondContact O-N 3.18Å; I1779-V1782 VanDerWaalsContact O-N 3.13Å; I1779-D1783 WeakPolarHBondContact CG2-OD2 3.46Å; I1779-D1783 WeakPolarHBondContact O-CB 3.27Å; I1779-D1783 VanDerWaalsContact O-CG 3.28Å; I1779-D1783 PolarHBondContact O-N 3.44Å; I1779-K1851 VanDerWaalsContact CG2-NZ 3.32Å; I1779-V1859 HydrophobicContact CD1-CG2 3.7Å; I1779-V1859 HydrophobicContact CG1-CG2 3.89Å; I1779-V1859 HydrophobicContact CG2-CG2 4.43Å
1780	H	85.3	Confident	77.4	Confident	120.4 Å²	120.4	61.5 Å²	61.5	56%	0.557	30%	0.303	S	S	*	.	H	α-helix	trans	-61.3	-37.6	176	-171.6	-61.8	0	0	0	113	N1776 V1778 S1784	N1776-H1780 VanDerWaalsContact O-CB 3.29Å; N1776-H1780 WeakPolarHBondContact O-CB 3.35Å; N1776-H1780 PolarHBondContact O-N 3.26Å; V1778-H1780 VanDerWaalsContact C-N 3.3Å; V1778-H1780 PolarHBondContact O-N 3.27Å; H1780-S1784 PolarHBondContact ND1-OG 3.18Å; H1780-S1784 WeakPolarHBondContact O-CB 3.27Å; H1780-S1784 PolarHBondContact O-N 3.25Å; H1780-S1784 VanDerWaalsContact O-N 3.1Å; H1780-S1784 PolarHBondContact O-OG 3.18Å
1781	L	83.2	Confident	75.7	Confident	16.6 Å²	16.6	66.3 Å²	66.3	9%	0.087	32%	0.321	C	S	.	.	H	α-helix	trans	-68.3	-39.3	175.1	-73.5	165.1	0	0	0	111.8	R1777 V1778 I1779 S1784 L1785 F1827 L1831 I1902 I1906	R1777-L1781 WeakPolarHBondContact O-CD1 3.41Å; R1777-L1781 VanDerWaalsContact O-CG 3.32Å; R1777-L1781 WeakPolarHBondContact O-CG 3.37Å; R1777-L1781 PolarHBondContact O-N 3.09Å; R1777-L1781 VanDerWaalsContact O-N 3.08Å; V1778-L1781 WeakPolarHBondContact O-CB 3.35Å; V1778-L1781 PolarHBondContact O-N 3.26Å; V1778-L1781 VanDerWaalsContact O-N 3.1Å; I1779-L1781 VanDerWaalsContact C-N 3.32Å; I1779-L1781 PolarHBondContact O-N 3.07Å; L1781-S1784 CarbonylContact O-C 3.56Å; L1781-S1784 WeakPolarHBondContact O-CB 3.3Å; L1781-S1784 PolarHBondContact O-N 3.13Å; L1781-L1785 PolarHBondContact O-N 3.09Å; L1781-L1785 VanDerWaalsContact O-N 3.07Å; L1781-F1827 HydrophobicContact CD1-CD1 3.53Å; L1781-F1827 HydrophobicContact CD1-CE1 3.77Å; L1781-F1827 HydrophobicContact CD1-CE2 4.16Å; L1781-F1827 HydrophobicContact CD1-CZ 3.43Å; L1781-F1827 VanDerWaalsContact CD1-CZ 3.43Å; L1781-F1827 HydrophobicContact CD2-CD1 4.25Å; L1781-F1827 HydrophobicContact CD2-CD2 4.33Å; L1781-F1827 HydrophobicContact CD2-CE1 3.54Å; L1781-F1827 HydrophobicContact CD2-CE2 3.52Å; L1781-F1827 VanDerWaalsContact CD2-CE2 3.45Å; L1781-F1827 HydrophobicContact CD2-CZ 3.84Å; L1781-F1827 HydrophobicContact CG-CD1 4.48Å; L1781-F1827 HydrophobicContact CG-CE1 3.65Å; L1781-F1827 HydrophobicContact CG-CE2 4.3Å; L1781-F1827 HydrophobicContact CG-CZ 3.64Å; L1781-L1831 HydrophobicContact CD2-CD1 4.33Å; L1781-L1831 HydrophobicContact CD2-CD2 4.25Å; L1781-L1831 HydrophobicContact CD2-CG 4.3Å; L1781-I1902 HydrophobicContact CB-CD1 4.44Å; L1781-I1902 HydrophobicContact CB-CG2 4.27Å; L1781-I1902 HydrophobicContact CD1-CG2 4.06Å; L1781-I1906 HydrophobicContact CD1-CD1 3.94Å
1782	V	86.3	Confident	73.8	Confident	0.4 Å²	0.4	71.8 Å²	71.8	0%	0.002	35%	0.349	C	S	.	.	H	α-helix	trans	-72.3	-37.4	178.4	178.3	0	0	0	0	111.7	I1718 F1720 V1778 I1779 S1784 L1785 A1786 Y1861 F1895 V1899	I1718-V1782 HydrophobicContact CD1-CG1 4.45Å; F1720-V1782 HydrophobicContact CZ-CG2 4.08Å; V1778-V1782 HydrophobicContact CG1-CG2 4.35Å; V1778-V1782 WeakPolarHBondContact O-CG2 3.42Å; V1778-V1782 PolarHBondContact O-N 3.19Å; V1778-V1782 VanDerWaalsContact O-N 3.08Å; I1779-V1782 PolarHBondContact O-N 3.18Å; I1779-V1782 VanDerWaalsContact O-N 3.13Å; V1782-S1784 VanDerWaalsContact C-N 3.3Å; V1782-S1784 PolarHBondContact O-N 3.07Å; V1782-L1785 WeakPolarHBondContact O-CB 3.3Å; V1782-L1785 PolarHBondContact O-N 3.25Å; V1782-A1786 WeakPolarHBondContact O-CB 3.41Å; V1782-A1786 PolarHBondContact O-N 2.97Å; V1782-Y1861 HydrophobicContact CG1-CE2 3.6Å; V1782-Y1861 WeakPolarHBondContact CG1-OH 3.38Å; V1782-F1895 HydrophobicContact CG1-CE1 4.48Å; V1782-F1895 HydrophobicContact CG1-CE2 4.04Å; V1782-F1895 HydrophobicContact CG1-CZ 3.55Å; V1782-V1899 HydrophobicContact CB-CG2 4.43Å; V1782-V1899 HydrophobicContact CG1-CG2 3.7Å; V1782-V1899 HydrophobicContact CG2-CB 4.49Å; V1782-V1899 HydrophobicContact CG2-CG1 3.91Å; V1782-V1899 HydrophobicContact CG2-CG2 4.01Å
1783	D	84.9	Confident	71.4	Confident	36.6 Å²	36.6	74.4 Å²	74.4	20%	0.196	37%	0.366	C	S	.	.	H	α-helix	trans	-61	-39.8	168.7	-72.7	-24.1	0	0	0	111.3	I1779 L1785 A1786 L1787 K1851 Y1861	I1779-D1783 WeakPolarHBondContact CG2-OD2 3.46Å; I1779-D1783 WeakPolarHBondContact O-CB 3.27Å; I1779-D1783 VanDerWaalsContact O-CG 3.28Å; I1779-D1783 PolarHBondContact O-N 3.44Å; D1783-L1785 VanDerWaalsContact C-N 3.34Å; D1783-L1785 PolarHBondContact O-N 3.28Å; D1783-A1786 PolarHBondContact O-N 3.01Å; D1783-A1786 VanDerWaalsContact O-N 3.12Å; D1783-L1787 WeakPolarHBondContact O-CB 3.39Å; D1783-L1787 WeakPolarHBondContact O-CG 3.35Å; D1783-L1787 PolarHBondContact O-N 3.06Å; D1783-K1851 VanDerWaalsContact CG-NZ 3.29Å; D1783-K1851 VanDerWaalsContact OD1-CD 3.29Å; D1783-K1851 WeakPolarHBondContact OD1-CD 3.36Å; D1783-K1851 VanDerWaalsContact OD1-CE 3.25Å; D1783-K1851 WeakPolarHBondContact OD1-CE 3.41Å; D1783-K1851 IonicContact OD1-NZ 3.43Å; D1783-K1851 PolarHBondContact OD1-NZ 3.45Å; D1783-K1851 VanDerWaalsContact OD1-NZ 3.11Å; D1783-K1851 IonicContact OD2-NZ 3.22Å; D1783-K1851 PolarHBondContact OD2-NZ 3.01Å; D1783-Y1861 WeakPolarHBondContact OD1-CE1 3.44Å; D1783-Y1861 PolarHBondContact OD1-OH 3.08Å
1784	S	82.9	Confident	68.9	Low	30.4 Å²	30.4	69.9 Å²	69.9	21%	0.213	37%	0.371	C	S	.	.	H	α-helix	trans	-65	-36.6	176.2	-57.5	0	0	0	0	112.2	H1780 L1781 V1782 G1788 Q1789	H1780-S1784 PolarHBondContact ND1-OG 3.18Å; H1780-S1784 WeakPolarHBondContact O-CB 3.27Å; H1780-S1784 PolarHBondContact O-N 3.25Å; H1780-S1784 VanDerWaalsContact O-N 3.1Å; H1780-S1784 PolarHBondContact O-OG 3.18Å; L1781-S1784 CarbonylContact O-C 3.56Å; L1781-S1784 WeakPolarHBondContact O-CB 3.3Å; L1781-S1784 PolarHBondContact O-N 3.13Å; V1782-S1784 VanDerWaalsContact C-N 3.3Å; V1782-S1784 PolarHBondContact O-N 3.07Å; S1784-G1788 WeakPolarHBondContact O-CA 3.45Å; S1784-G1788 PolarHBondContact O-N 3.33Å; S1784-Q1789 PolarHBondContact O-N 3.18Å
1785	L	81.9	Confident	66.6	Low	31.6 Å²	31.6	72.7 Å²	72.7	17%	0.165	40%	0.4	C	S	.	.	H	α-helix	trans	-66.1	-43.2	170.1	-75	-179.2	0	0	0	112.1	L1781 V1782 D1783 L1787 G1788 F1895 R1898 V1899 I1902	L1781-L1785 PolarHBondContact O-N 3.09Å; L1781-L1785 VanDerWaalsContact O-N 3.07Å; V1782-L1785 WeakPolarHBondContact O-CB 3.3Å; V1782-L1785 PolarHBondContact O-N 3.25Å; D1783-L1785 VanDerWaalsContact C-N 3.34Å; D1783-L1785 PolarHBondContact O-N 3.28Å; L1785-L1787 VanDerWaalsContact C-N 3.3Å; L1785-L1787 PolarHBondContact O-N 3.23Å; L1785-G1788 PolarHBondContact O-N 3.03Å; L1785-G1788 VanDerWaalsContact O-N 3.12Å; L1785-F1895 HydrophobicContact CB-CD2 4.3Å; L1785-F1895 HydrophobicContact CB-CE2 4.02Å; L1785-R1898 HydrophobicContact CD1-CB 3.78Å; L1785-R1898 HydrophobicContact CD2-CB 4.32Å; L1785-V1899 HydrophobicContact CD1-CG2 3.99Å; L1785-I1902 HydrophobicContact CD1-CD1 3.6Å; L1785-I1902 HydrophobicContact CD1-CG1 4.38Å; L1785-I1902 HydrophobicContact CD2-CD1 4.14Å; L1785-I1902 HydrophobicContact CG-CD1 3.85Å
1786	A	80.1	Confident	64.3	Low	4 Å²	4	77.7 Å²	77.7	3%	0.033	43%	0.432	C	S	.	.	H	α-helix	trans	-67.5	-31.1	-176.2	0	0	0	0	0	113.3	V1782 D1783 G1788 L1847 L1849 Y1861 F1895	V1782-A1786 WeakPolarHBondContact O-CB 3.41Å; V1782-A1786 PolarHBondContact O-N 2.97Å; D1783-A1786 PolarHBondContact O-N 3.01Å; D1783-A1786 VanDerWaalsContact O-N 3.12Å; A1786-G1788 VanDerWaalsContact C-N 3.31Å; A1786-L1847 CarbonylContact O-C 3.58Å; A1786-L1847 VanDerWaalsContact O-O 3.12Å; A1786-L1849 HydrophobicContact CB-CB 3.98Å; A1786-L1849 PolarHBondContact O-N 2.91Å; A1786-Y1861 HydrophobicContact CB-CD1 3.79Å; A1786-Y1861 HydrophobicContact CB-CE1 3.73Å; A1786-F1895 HydrophobicContact CB-CE2 3.82Å; A1786-F1895 HydrophobicContact CB-CZ 4.1Å
1787	L	71.5	Confident	62.1	Low	104.4 Å²	104.4	80.4 Å²	80.4	55%	0.547	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-7	175.6	-68.3	169.1	0	0	0	113.8	D1783 L1785 Q1789 L1847	D1783-L1787 WeakPolarHBondContact O-CB 3.39Å; D1783-L1787 WeakPolarHBondContact O-CG 3.35Å; D1783-L1787 PolarHBondContact O-N 3.06Å; L1785-L1787 VanDerWaalsContact C-N 3.3Å; L1785-L1787 PolarHBondContact O-N 3.23Å; L1787-Q1789 HydrophobicContact CB-CG 4.18Å; L1787-Q1789 PolarHBondContact O-N 3.16Å; L1787-L1847 CarbonylContact C-O 3.53Å
1788	G	62	Low	59.9	Low	33.6 Å²	33.6	81.7 Å²	81.7	35%	0.346	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	27.5	-175.3	0	0	0	0	0	115.1	S1784 L1785 A1786 Q1790 L1847	S1784-G1788 WeakPolarHBondContact O-CA 3.45Å; S1784-G1788 PolarHBondContact O-N 3.33Å; L1785-G1788 PolarHBondContact O-N 3.03Å; L1785-G1788 VanDerWaalsContact O-N 3.12Å; A1786-G1788 VanDerWaalsContact C-N 3.31Å; G1788-Q1790 PolarHBondContact O-N 3.2Å; G1788-L1847 PolarHBondContact N-O 3.24Å
1789	Q	49.7	Very low	57.8	Low	137.8 Å²	137.8	88.3 Å²	88.3	64%	0.644	50%	0.501	S	S	*	.			trans	-90.5	41.1	175.7	-69.7	-165.9	-5.9	0	0	113.1	S1784 L1787 K1791	S1784-Q1789 PolarHBondContact O-N 3.18Å; L1787-Q1789 HydrophobicContact CB-CG 4.18Å; L1787-Q1789 PolarHBondContact O-N 3.16Å; Q1789-K1791 PolarHBondContact O-N 3.15Å; Q1789-K1791 VanDerWaalsContact O-N 3.11Å
1790	Q	42.3	Very low	55.4	Low	101.8 Å²	101.8	92.9 Å²	92.9	48%	0.476	53%	0.532	S	S	.	.			trans	-73.5	92.5	171.1	-150.3	172	2.6	0	0	109.7	G1788 Q1792 S1834	G1788-Q1790 PolarHBondContact O-N 3.2Å; Q1790-Q1792 PolarHBondContact O-N 3.16Å; Q1790-S1834 PolarHBondContact NE2-OG 3.01Å
1791	K	38.1	Very low	52.9	Low	166 Å²	166	90.6 Å²	90.6	72%	0.722	54%	0.542	S	S	*	.			trans	-71.3	88.6	-178.9	-87.2	-174.6	175.4	177.7	0	112.1	Q1789 T1793	Q1789-K1791 PolarHBondContact O-N 3.15Å; Q1789-K1791 VanDerWaalsContact O-N 3.11Å; K1791-T1793 HydrophobicContact CB-CG2 4.2Å; K1791-T1793 HydrophobicContact CD-CG2 4.33Å; K1791-T1793 HydrophobicContact CG-CG2 4.4Å; K1791-T1793 PolarHBondContact O-N 3.24Å
1792	Q	35.5	Very low	50.7	Low	179.6 Å²	179.6	98.9 Å²	98.9	84%	0.839	58%	0.58	S	S	*	*			trans	-86.4	74	165.7	-72.3	-176.3	-26.1	0	0	110.2	Q1790 G1794	Q1790-Q1792 PolarHBondContact O-N 3.16Å; Q1792-G1794 VanDerWaalsContact C-N 3.32Å; Q1792-G1794 PolarHBondContact O-N 3.31Å
1793	T	31.1	Very low	48.2	Very low	126.2 Å²	126.2	106.1 Å²	106.1	77%	0.774	62%	0.618	S	S	*	*			trans	-116.1	89.9	168.7	42.5	0	0	0	0	109.2	K1791	K1791-T1793 HydrophobicContact CB-CG2 4.2Å; K1791-T1793 HydrophobicContact CD-CG2 4.33Å; K1791-T1793 HydrophobicContact CG-CG2 4.4Å; K1791-T1793 PolarHBondContact O-N 3.24Å
1794	G	29.8	Very low	46	Very low	71.4 Å²	71.4	110.4 Å²	110.4	74%	0.736	65%	0.647	S	S	*	*			trans	157.8	118.2	173.3	0	0	0	0	0	114.5	Q1792	Q1792-G1794 VanDerWaalsContact C-N 3.32Å; Q1792-G1794 PolarHBondContact O-N 3.31Å
1795	A	32.2	Very low	43.9	Very low	98.4 Å²	98.4	116.7 Å²	116.7	81%	0.813	67%	0.674	S	S	*	*			trans	61	98.3	162.9	0	0	0	0	0	117.3
1796	T	35.1	Very low	41.6	Very low	134.2 Å²	134.2	121.6 Å²	121.6	82%	0.823	70%	0.701	S	S	*	*			trans	-168.7	126.3	137.9	37	0	0	0	0	110.3
1797	L	38.9	Very low	39.6	Very low	151.8 Å²	151.8	130.1 Å²	130.1	80%	0.795	74%	0.74	S	S	*	*				89	137.8	122.2	-124.3	87	0	0	0	113.6
1798	D	36.9	Very low	38	Very low	140.2 Å²	140.2	135.6 Å²	135.6	75%	0.75	75%	0.753	S	S	*	*			trans	150.1	106.4	164.8	-61.4	-34	0	0	0	114.8
1799	V	41.1	Very low	36.8	Very low	139.8 Å²	139.8	143.3 Å²	143.3	85%	0.847	78%	0.78	S	S	*	*			trans	-159.6	127.7	133.8	178.4	0	0	0	0	110.1
1800	P	34.7	Very low	36.3	Very low	125 Å²	125	141.5 Å²	141.5	81%	0.812	78%	0.783	S	S	*	*			trans	-108.8	158.9	-173	38	-30.4	0	0	0	114.5
1801	G	34	Very low	36.3	Very low	73.6 Å²	73.6	143.4 Å²	143.4	76%	0.759	80%	0.796	S	S	*	*			trans	100.8	141.1	171.9	0	0	0	0	0	113.7
1802	E	35	Very low	36.4	Very low	190 Å²	190	141.9 Å²	141.9	89%	0.888	80%	0.796	S	S	*	*			cis	-132.6	167.5	11.1	-72.2	-175.1	105.6	0	0	113
1803	N	34	Very low	36.6	Very low	150.8 Å²	150.8	138.6 Å²	138.6	81%	0.806	79%	0.793	S	S	*	*			trans	-99.3	150.4	178.8	-49	-69.1	0	0	0	112.4
1804	T	40.1	Very low	37	Very low	128.6 Å²	128.6	138.7 Å²	138.7	79%	0.789	79%	0.789	S	S	*	*			trans	-175.3	135.9	147.9	26.8	0	0	0	0	111.8
1805	M	37.3	Very low	37.5	Very low	161.6 Å²	161.6	141.6 Å²	141.6	80%	0.796	79%	0.792	S	S	*	*			trans	20.5	138.3	138.4	-63.8	-72.4	-175.8	0	0	116.3
1806	N	35.4	Very low	37.9	Very low	134.2 Å²	134.2	144.9 Å²	144.9	72%	0.718	80%	0.795	S	S	*	*				90.4	95.6	60.1	-68	-44.2	0	0	0	112.4
1807	E	37.7	Very low	38.2	Very low	182.2 Å²	182.2	144.4 Å²	144.4	85%	0.851	79%	0.788	S	S	*	*			trans	-128.2	142.3	133.6	-93	164.4	164.9	0	0	109.2
1808	R	36.2	Very low	38.4	Very low	221.8 Å²	221.8	143.9 Å²	143.9	84%	0.837	78%	0.779	S	S	*	*				79.9	83.1	102.7	-63.1	-168	-174.7	111.8	-4	114.2
1809	E	37.6	Very low	38.6	Very low	194.6 Å²	194.6	143.3 Å²	143.3	91%	0.909	78%	0.776	S	S	*	*			trans	-129.5	131.2	143.4	-120.9	173.9	-168.8	0	0	108.9
1810	S	39.3	Very low	38.6	Very low	99.8 Å²	99.8	139 Å²	139	70%	0.698	76%	0.755	S	S	*	*			trans	-147.9	88.8	155.6	177.5	0	0	0	0	111
1811	D	41.9	Very low	38.9	Very low	141.4 Å²	141.4	140.3 Å²	140.3	76%	0.756	75%	0.748	S	S	*	*			trans	-152.1	142.9	144.8	-115.7	-16.2	0	0	0	113.5	S1813	D1811-S1813 PolarHBondContact O-N 3.48Å
1812	N	41.1	Very low	39.5	Very low	135.6 Å²	135.6	140.9 Å²	140.9	73%	0.725	73%	0.734	S	S	*	*			trans	-107.9	74.4	168.3	-74.6	-68.5	0	0	0	114.8
1813	S	39.4	Very low	40.1	Very low	110.2 Å²	110.2	135.6 Å²	135.6	77%	0.771	71%	0.711	S	S	*	*			trans	-125.6	75.9	162.8	67.2	0	0	0	0	113.4	D1811 T1815	D1811-S1813 PolarHBondContact O-N 3.48Å; S1813-T1815 PolarHBondContact O-N 3.18Å
1814	N	38.9	Very low	40.8	Very low	127.4 Å²	127.4	134.6 Å²	134.6	68%	0.681	70%	0.702	S	S	*	*			trans	-64.2	88.2	170	-75.5	-56.1	0	0	0	112.7	L1816 K1818	N1814-L1816 PolarHBondContact O-N 3.18Å; N1814-K1818 PolarHBondContact OD1-NZ 2.87Å
1815	T	41.5	Very low	41	Very low	132.8 Å²	132.8	135.7 Å²	135.7	82%	0.815	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.1	10.5	154.4	-14.9	0	0	0	0	116.8	S1813	S1813-T1815 PolarHBondContact O-N 3.18Å
1816	L	39	Very low	41.5	Very low	167.8 Å²	167.8	131.5 Å²	131.5	88%	0.879	68%	0.676	S	S	*	*	S	Bend	trans	-126.1	9.1	-174.9	-147.4	73.2	0	0	0	116.8	N1814	N1814-L1816 PolarHBondContact O-N 3.18Å
1817	N	43	Very low	41.8	Very low	123.2 Å²	123.2	127.5 Å²	127.5	66%	0.659	65%	0.653	S	S	*	*	S	Bend	trans	-133.3	30	-176.5	-140.5	-14.8	0	0	0	115.8	A1820	N1817-A1820 WeakPolarHBondContact OD1-CB 3.37Å
1818	K	42.3	Very low	42.3	Very low	141 Å²	141	121.8 Å²	121.8	61%	0.613	63%	0.633	S	S	*	*	S	Bend	trans	-79.6	-47.8	174.2	-80.1	179.9	173.9	171.1	0	112.5	N1814 A1820 K1821 D1822	N1814-K1818 PolarHBondContact OD1-NZ 2.87Å; K1818-A1820 VanDerWaalsContact C-N 3.29Å; K1818-A1820 PolarHBondContact O-N 3.36Å; K1818-A1820 VanDerWaalsContact O-N 3.12Å; K1818-K1821 WeakPolarHBondContact O-CA 3.27Å; K1818-K1821 WeakPolarHBondContact O-CB 3.33Å; K1818-K1821 PolarHBondContact O-N 3.29Å; K1818-D1822 WeakPolarHBondContact O-CB 3.43Å; K1818-D1822 PolarHBondContact O-N 3.07Å
1819	N	40.9	Very low	43.1	Very low	127.4 Å²	127.4	113.4 Å²	113.4	68%	0.681	61%	0.608	S	S	*	*	H	α-helix	trans	-56.8	-30.7	-171.2	-56.5	9.5	0	0	0	114.5	N1823	N1819-N1823 WeakPolarHBondContact O-CB 3.42Å; N1819-N1823 PolarHBondContact O-N 3.21Å; N1819-N1823 VanDerWaalsContact O-N 3.12Å; N1819-N1823 PolarHBondContact O-ND2 3.07Å
1820	A	40.8	Very low	43.6	Very low	50 Å²	50	105.1 Å²	105.1	41%	0.413	57%	0.57	S	S	.	*	H	α-helix	trans	-70.9	-45.6	175.2	0	0	0	0	0	112.1	N1817 K1818 D1822 N1823 E1824	N1817-A1820 WeakPolarHBondContact OD1-CB 3.37Å; K1818-A1820 VanDerWaalsContact C-N 3.29Å; K1818-A1820 PolarHBondContact O-N 3.36Å; K1818-A1820 VanDerWaalsContact O-N 3.12Å; A1820-D1822 VanDerWaalsContact C-N 3.33Å; A1820-D1822 PolarHBondContact O-N 3.05Å; A1820-N1823 WeakPolarHBondContact O-CB 3.36Å; A1820-N1823 PolarHBondContact O-N 3.1Å; A1820-N1823 VanDerWaalsContact O-N 3.14Å; A1820-E1824 PolarHBondContact O-N 3.4Å
1821	K	42.4	Very low	44	Very low	151.6 Å²	151.6	103.5 Å²	103.5	66%	0.659	55%	0.553	S	S	*	*	H	α-helix	trans	-68.7	-32.8	-178.9	-119.7	171.4	-176.2	170.8	0	112.6	K1818 N1823 E1824 K1825	K1818-K1821 WeakPolarHBondContact O-CA 3.27Å; K1818-K1821 WeakPolarHBondContact O-CB 3.33Å; K1818-K1821 PolarHBondContact O-N 3.29Å; K1821-N1823 VanDerWaalsContact C-N 3.33Å; K1821-N1823 PolarHBondContact O-N 3.15Å; K1821-E1824 PolarHBondContact O-N 3.4Å; K1821-K1825 WeakPolarHBondContact O-CB 3.44Å; K1821-K1825 WeakPolarHBondContact O-CG 3.33Å; K1821-K1825 PolarHBondContact O-N 3.17Å; K1821-K1825 VanDerWaalsContact O-N 3.11Å
1822	D	46.5	Very low	44.2	Very low	86.8 Å²	86.8	100 Å²	100	46%	0.464	54%	0.539	S	S	.	.	H	α-helix	trans	-66.4	-36.4	175.5	-65.1	-36.5	0	0	0	111.7	K1818 A1820 E1824 K1825 L1826	K1818-D1822 WeakPolarHBondContact O-CB 3.43Å; K1818-D1822 PolarHBondContact O-N 3.07Å; A1820-D1822 VanDerWaalsContact C-N 3.33Å; A1820-D1822 PolarHBondContact O-N 3.05Å; D1822-E1824 PolarHBondContact O-N 3.33Å; D1822-K1825 PolarHBondContact O-N 3.1Å; D1822-L1826 VanDerWaalsContact O-CB 3.26Å; D1822-L1826 WeakPolarHBondContact O-CB 3.32Å; D1822-L1826 WeakPolarHBondContact O-CD1 3.28Å; D1822-L1826 VanDerWaalsContact O-CG 3.27Å; D1822-L1826 WeakPolarHBondContact O-CG 3.39Å; D1822-L1826 PolarHBondContact O-N 3.13Å
1823	N	47.5	Very low	44.5	Very low	78.2 Å²	78.2	96.8 Å²	96.8	42%	0.418	53%	0.528	S	S	.	.	H	α-helix	trans	-64.1	-41.3	174.3	-83.6	-62.1	0	0	0	112.6	R1777 N1819 A1820 K1821 L1826 F1827	R1777-N1823 PolarHBondContact NH1-OD1 3.4Å; R1777-N1823 PolarHBondContact NH2-O 2.69Å; R1777-N1823 PolarHBondContact NH2-OD1 2.81Å; R1777-N1823 VanDerWaalsContact NH2-OD1 3.14Å; N1819-N1823 WeakPolarHBondContact O-CB 3.42Å; N1819-N1823 PolarHBondContact O-N 3.21Å; N1819-N1823 VanDerWaalsContact O-N 3.12Å; N1819-N1823 PolarHBondContact O-ND2 3.07Å; A1820-N1823 WeakPolarHBondContact O-CB 3.36Å; A1820-N1823 PolarHBondContact O-N 3.1Å; A1820-N1823 VanDerWaalsContact O-N 3.14Å; K1821-N1823 VanDerWaalsContact C-N 3.33Å; K1821-N1823 PolarHBondContact O-N 3.15Å; N1823-L1826 PolarHBondContact O-N 3.14Å; N1823-F1827 WeakPolarHBondContact O-CB 3.27Å; N1823-F1827 WeakPolarHBondContact O-CD2 3.24Å; N1823-F1827 PolarHBondContact O-N 3.03Å; N1823-F1827 VanDerWaalsContact O-N 3.15Å
1824	E	47	Very low	44.8	Very low	131.4 Å²	131.4	95.1 Å²	95.1	61%	0.614	52%	0.516	S	S	*	.	H	α-helix	trans	-68.7	-40.3	176.4	-130.1	-171.2	160.3	0	0	112	A1820 K1821 D1822 L1826 F1827 S1828	A1820-E1824 PolarHBondContact O-N 3.4Å; K1821-E1824 PolarHBondContact O-N 3.4Å; D1822-E1824 PolarHBondContact O-N 3.33Å; E1824-L1826 VanDerWaalsContact C-N 3.32Å; E1824-L1826 PolarHBondContact O-N 3.33Å; E1824-F1827 WeakPolarHBondContact O-CB 3.33Å; E1824-F1827 PolarHBondContact O-N 3.07Å; E1824-S1828 WeakPolarHBondContact O-CB 3.37Å; E1824-S1828 PolarHBondContact O-N 3.24Å; E1824-S1828 PolarHBondContact O-OG 3.16Å
1825	K	46.4	Very low	44.8	Very low	151 Å²	151	93.2 Å²	93.2	66%	0.657	51%	0.512	S	S	*	.	H	α-helix	trans	-61.9	-40.3	171.8	-106.9	-177.7	176.8	-177	0	112	K1821 D1822 F1827 S1828 S1829	K1821-K1825 WeakPolarHBondContact O-CB 3.44Å; K1821-K1825 WeakPolarHBondContact O-CG 3.33Å; K1821-K1825 PolarHBondContact O-N 3.17Å; K1821-K1825 VanDerWaalsContact O-N 3.11Å; D1822-K1825 PolarHBondContact O-N 3.1Å; K1825-F1827 VanDerWaalsContact C-N 3.32Å; K1825-F1827 PolarHBondContact O-N 3.28Å; K1825-S1828 WeakPolarHBondContact CA-OG 3.41Å; K1825-S1828 PolarHBondContact O-N 3.21Å; K1825-S1828 VanDerWaalsContact O-N 3.11Å; K1825-S1828 PolarHBondContact O-OG 3.02Å; K1825-S1829 VanDerWaalsContact O-CB 3.29Å; K1825-S1829 WeakPolarHBondContact O-CB 3.41Å; K1825-S1829 PolarHBondContact O-N 3.23Å; K1825-S1829 VanDerWaalsContact O-N 3.08Å; K1825-S1829 PolarHBondContact O-OG 3.14Å
1826	L	45.8	Very low	44.4	Very low	72.8 Å²	72.8	91.9 Å²	91.9	38%	0.381	51%	0.509	S	S	.	.	H	α-helix	trans	-66.7	-30.5	176.3	-141	158.8	0	0	0	112.4	D1822 N1823 E1824 S1829 L1830 K1909	D1822-L1826 VanDerWaalsContact O-CB 3.26Å; D1822-L1826 WeakPolarHBondContact O-CB 3.32Å; D1822-L1826 WeakPolarHBondContact O-CD1 3.28Å; D1822-L1826 VanDerWaalsContact O-CG 3.27Å; D1822-L1826 WeakPolarHBondContact O-CG 3.39Å; D1822-L1826 PolarHBondContact O-N 3.13Å; N1823-L1826 PolarHBondContact O-N 3.14Å; E1824-L1826 VanDerWaalsContact C-N 3.32Å; E1824-L1826 PolarHBondContact O-N 3.33Å; L1826-S1829 VanDerWaalsContact C-OG 3.27Å; L1826-S1829 WeakPolarHBondContact CA-OG 3.43Å; L1826-S1829 PolarHBondContact O-N 3.49Å; L1826-S1829 PolarHBondContact O-OG 2.86Å; L1826-L1830 HydrophobicContact CD2-CD1 3.95Å; L1826-L1830 HydrophobicContact CD2-CG 4.36Å; L1826-L1830 WeakPolarHBondContact O-CD1 3.45Å; L1826-L1830 VanDerWaalsContact O-CG 3.29Å; L1826-L1830 WeakPolarHBondContact O-CG 3.36Å; L1826-L1830 PolarHBondContact O-N 3.17Å; L1826-K1909 HydrophobicContact CD2-CB 4.08Å; L1826-K1909 HydrophobicContact CD2-CD 4.28Å; L1826-K1909 HydrophobicContact CD2-CG 4.24Å; L1826-K1909 VanDerWaalsContact CD2-NZ 3.29Å; L1826-K1909 HydrophobicContact CG-CD 4.26Å; L1826-K1909 HydrophobicContact CG-CG 4.48Å; L1826-K1909 PolarHBondContact O-NZ 3.17Å
1827	F	42.4	Very low	44.3	Very low	50.4 Å²	50.4	87 Å²	87	22%	0.221	49%	0.489	C	S	.	.	H	α-helix	trans	-78.3	-43.3	175	-139.2	-103	0	0	0	112.6	R1777 L1781 N1823 E1824 K1825 S1829 L1830 L1831 I1906	R1777-F1827 HydrophobicContact CG-CD1 4.45Å; R1777-F1827 HydrophobicContact CG-CE1 4.32Å; R1777-F1827 HydrophobicContact CG-CE2 4.46Å; R1777-F1827 HydrophobicContact CG-CZ 3.74Å; R1777-F1827 VanDerWaalsContact NE-CZ 3.31Å; R1777-F1827 VanDerWaalsContact NH2-CE2 3.35Å; L1781-F1827 HydrophobicContact CD1-CD1 3.53Å; L1781-F1827 HydrophobicContact CD1-CE1 3.77Å; L1781-F1827 HydrophobicContact CD1-CE2 4.16Å; L1781-F1827 HydrophobicContact CD1-CZ 3.43Å; L1781-F1827 VanDerWaalsContact CD1-CZ 3.43Å; L1781-F1827 HydrophobicContact CD2-CD1 4.25Å; L1781-F1827 HydrophobicContact CD2-CD2 4.33Å; L1781-F1827 HydrophobicContact CD2-CE1 3.54Å; L1781-F1827 HydrophobicContact CD2-CE2 3.52Å; L1781-F1827 VanDerWaalsContact CD2-CE2 3.45Å; L1781-F1827 HydrophobicContact CD2-CZ 3.84Å; L1781-F1827 HydrophobicContact CG-CD1 4.48Å; L1781-F1827 HydrophobicContact CG-CE1 3.65Å; L1781-F1827 HydrophobicContact CG-CE2 4.3Å; L1781-F1827 HydrophobicContact CG-CZ 3.64Å; N1823-F1827 WeakPolarHBondContact O-CB 3.27Å; N1823-F1827 WeakPolarHBondContact O-CD2 3.24Å; N1823-F1827 PolarHBondContact O-N 3.03Å; N1823-F1827 VanDerWaalsContact O-N 3.15Å; E1824-F1827 WeakPolarHBondContact O-CB 3.33Å; E1824-F1827 PolarHBondContact O-N 3.07Å; K1825-F1827 VanDerWaalsContact C-N 3.32Å; K1825-F1827 PolarHBondContact O-N 3.28Å; F1827-S1829 VanDerWaalsContact C-N 3.28Å; F1827-S1829 PolarHBondContact O-N 3.08Å; F1827-L1830 HydrophobicContact CD1-CD1 3.93Å; F1827-L1830 HydrophobicContact CD2-CD1 4.1Å; F1827-L1830 HydrophobicContact CE1-CD1 4.21Å; F1827-L1830 HydrophobicContact CE2-CD1 4.37Å; F1827-L1830 HydrophobicContact CG-CD1 4.22Å; F1827-L1830 WeakPolarHBondContact O-CB 3.33Å; F1827-L1830 PolarHBondContact O-N 3.16Å; F1827-L1830 VanDerWaalsContact O-N 3.09Å; F1827-L1831 HydrophobicContact CD1-CD1 3.77Å; F1827-L1831 HydrophobicContact CE1-CD1 3.61Å; F1827-L1831 VanDerWaalsContact CE1-CD1 3.48Å; F1827-L1831 HydrophobicContact CZ-CD1 4.27Å; F1827-L1831 PolarHBondContact O-N 2.97Å; F1827-L1831 VanDerWaalsContact O-N 3.14Å; F1827-I1906 HydrophobicContact CE1-CD1 3.83Å; F1827-I1906 HydrophobicContact CE1-CG1 3.93Å; F1827-I1906 HydrophobicContact CZ-CD1 4.33Å; F1827-I1906 HydrophobicContact CZ-CG1 4.12Å
1828	S	48.6	Very low	44	Very low	63 Å²	63	86.5 Å²	86.5	44%	0.441	49%	0.49	S	S	.	.	H	α-helix	trans	-62.5	-37.2	172.3	58.8	0	0	0	0	111.9	E1824 K1825 L1830 L1831 S1832	E1824-S1828 WeakPolarHBondContact O-CB 3.37Å; E1824-S1828 PolarHBondContact O-N 3.24Å; E1824-S1828 PolarHBondContact O-OG 3.16Å; K1825-S1828 WeakPolarHBondContact CA-OG 3.41Å; K1825-S1828 PolarHBondContact O-N 3.21Å; K1825-S1828 VanDerWaalsContact O-N 3.11Å; K1825-S1828 PolarHBondContact O-OG 3.02Å; S1828-L1830 VanDerWaalsContact C-N 3.35Å; S1828-L1830 PolarHBondContact O-N 3.11Å; S1828-L1831 CarbonylContact O-C 3.57Å; S1828-L1831 PolarHBondContact O-N 3.04Å; S1828-L1831 VanDerWaalsContact O-N 3.15Å; S1828-S1832 WeakPolarHBondContact O-CB 3.35Å; S1828-S1832 PolarHBondContact O-N 3.12Å; S1828-S1832 VanDerWaalsContact O-N 3.1Å; S1828-S1832 PolarHBondContact O-OG 3.21Å
1829	S	52.5	Low	43.3	Very low	45 Å²	45	86.5 Å²	86.5	32%	0.315	51%	0.505	S	S	.	.	H	α-helix	trans	-66.3	-31.8	173.7	73	0	0	0	0	113.8	K1825 L1826 F1827 L1831 S1832 S1833 K1909	K1825-S1829 VanDerWaalsContact O-CB 3.29Å; K1825-S1829 WeakPolarHBondContact O-CB 3.41Å; K1825-S1829 PolarHBondContact O-N 3.23Å; K1825-S1829 VanDerWaalsContact O-N 3.08Å; K1825-S1829 PolarHBondContact O-OG 3.14Å; L1826-S1829 VanDerWaalsContact C-OG 3.27Å; L1826-S1829 WeakPolarHBondContact CA-OG 3.43Å; L1826-S1829 PolarHBondContact O-N 3.49Å; L1826-S1829 PolarHBondContact O-OG 2.86Å; F1827-S1829 VanDerWaalsContact C-N 3.28Å; F1827-S1829 PolarHBondContact O-N 3.08Å; S1829-L1831 VanDerWaalsContact C-N 3.34Å; S1829-L1831 PolarHBondContact O-N 2.83Å; S1829-S1832 WeakPolarHBondContact CA-OG 3.45Å; S1829-S1832 PolarHBondContact O-N 3.19Å; S1829-S1832 PolarHBondContact O-OG 3.21Å; S1829-S1833 VanDerWaalsContact O-CB 3.25Å; S1829-S1833 WeakPolarHBondContact O-CB 3.42Å; S1829-S1833 PolarHBondContact O-N 3.02Å; S1829-S1833 PolarHBondContact O-OG 3.07Å; S1829-S1833 VanDerWaalsContact O-OG 3.09Å; S1829-K1909 PolarHBondContact OG-NZ 3.11Å
1830	L	48.5	Very low	42.8	Very low	21.2 Å²	21.2	84.5 Å²	84.5	11%	0.111	50%	0.501	C	S	.	.	H	α-helix	trans	-65.8	-37.3	172.2	-79	165.8	0	0	0	111.9	L1826 F1827 S1828 S1832 S1833 Q1905 I1906 K1909	L1826-L1830 HydrophobicContact CD2-CD1 3.95Å; L1826-L1830 HydrophobicContact CD2-CG 4.36Å; L1826-L1830 WeakPolarHBondContact O-CD1 3.45Å; L1826-L1830 VanDerWaalsContact O-CG 3.29Å; L1826-L1830 WeakPolarHBondContact O-CG 3.36Å; L1826-L1830 PolarHBondContact O-N 3.17Å; F1827-L1830 HydrophobicContact CD1-CD1 3.93Å; F1827-L1830 HydrophobicContact CD2-CD1 4.1Å; F1827-L1830 HydrophobicContact CE1-CD1 4.21Å; F1827-L1830 HydrophobicContact CE2-CD1 4.37Å; F1827-L1830 HydrophobicContact CG-CD1 4.22Å; F1827-L1830 WeakPolarHBondContact O-CB 3.33Å; F1827-L1830 PolarHBondContact O-N 3.16Å; F1827-L1830 VanDerWaalsContact O-N 3.09Å; S1828-L1830 VanDerWaalsContact C-N 3.35Å; S1828-L1830 PolarHBondContact O-N 3.11Å; L1830-S1832 VanDerWaalsContact C-N 3.34Å; L1830-S1832 PolarHBondContact O-N 3.05Å; L1830-S1833 PolarHBondContact O-OG 3.16Å; L1830-Q1905 HydrophobicContact CD2-CB 4Å; L1830-Q1905 HydrophobicContact CD2-CG 4.31Å; L1830-Q1905 VanDerWaalsContact CD2-OE1 3.27Å; L1830-I1906 HydrophobicContact CD1-CG1 4.01Å; L1830-K1909 HydrophobicContact CD1-CD 4.3Å; L1830-K1909 HydrophobicContact CD2-CD 4.05Å; L1830-K1909 VanDerWaalsContact CD2-CE 3.44Å; L1830-K1909 VanDerWaalsContact CD2-NZ 3.34Å; L1830-K1909 HydrophobicContact CG-CD 4Å
1831	L	48.1	Very low	42.2	Very low	66.2 Å²	66.2	91.7 Å²	91.7	35%	0.347	53%	0.526	S	S	.	.	H	α-helix	trans	-76.4	-24.3	179.7	-73.4	160.8	0	0	0	113	L1781 F1827 S1828 S1829 S1834	L1781-L1831 HydrophobicContact CD2-CD1 4.33Å; L1781-L1831 HydrophobicContact CD2-CD2 4.25Å; L1781-L1831 HydrophobicContact CD2-CG 4.3Å; F1827-L1831 HydrophobicContact CD1-CD1 3.77Å; F1827-L1831 HydrophobicContact CE1-CD1 3.61Å; F1827-L1831 VanDerWaalsContact CE1-CD1 3.48Å; F1827-L1831 HydrophobicContact CZ-CD1 4.27Å; F1827-L1831 PolarHBondContact O-N 2.97Å; F1827-L1831 VanDerWaalsContact O-N 3.14Å; S1828-L1831 CarbonylContact O-C 3.57Å; S1828-L1831 PolarHBondContact O-N 3.04Å; S1828-L1831 VanDerWaalsContact O-N 3.15Å; S1829-L1831 VanDerWaalsContact C-N 3.34Å; S1829-L1831 PolarHBondContact O-N 2.83Å; L1831-S1834 PolarHBondContact O-OG 3.25Å
1832	S	46.5	Very low	41.8	Very low	66 Å²	66	90.2 Å²	90.2	46%	0.462	53%	0.53	S	S	.	.	H	α-helix	trans	-101.3	-22.7	179.3	67.4	0	0	0	0	115	S1828 S1829 L1830 S1834 S1835	S1828-S1832 WeakPolarHBondContact O-CB 3.35Å; S1828-S1832 PolarHBondContact O-N 3.12Å; S1828-S1832 VanDerWaalsContact O-N 3.1Å; S1828-S1832 PolarHBondContact O-OG 3.21Å; S1829-S1832 WeakPolarHBondContact CA-OG 3.45Å; S1829-S1832 PolarHBondContact O-N 3.19Å; S1829-S1832 PolarHBondContact O-OG 3.21Å; L1830-S1832 VanDerWaalsContact C-N 3.34Å; L1830-S1832 PolarHBondContact O-N 3.05Å; S1832-S1834 PolarHBondContact O-N 3.12Å; S1832-S1834 VanDerWaalsContact O-N 3.13Å; S1832-S1835 PolarHBondContact O-N 3.07Å; S1832-S1835 VanDerWaalsContact O-N 3.12Å; S1832-S1835 PolarHBondContact O-OG 3.13Å; S1832-S1835 VanDerWaalsContact O-OG 3.14Å
1833	S	46.8	Very low	41.2	Very low	69.6 Å²	69.6	91.9 Å²	91.9	49%	0.487	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	2.8	-179.9	69.9	0	0	0	0	114.4	S1829 L1830 S1835 S1836	S1829-S1833 VanDerWaalsContact O-CB 3.25Å; S1829-S1833 WeakPolarHBondContact O-CB 3.42Å; S1829-S1833 PolarHBondContact O-N 3.02Å; S1829-S1833 PolarHBondContact O-OG 3.07Å; S1829-S1833 VanDerWaalsContact O-OG 3.09Å; L1830-S1833 PolarHBondContact O-OG 3.16Å; S1833-S1835 PolarHBondContact O-N 2.87Å; S1833-S1836 PolarHBondContact O-OG 3.09Å
1834	S	46.2	Very low	40.7	Very low	73.4 Å²	73.4	92.2 Å²	92.2	51%	0.513	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.5	12.2	174	56.2	0	0	0	0	113.6	Q1790 L1831 S1832	Q1790-S1834 PolarHBondContact NE2-OG 3.01Å; L1831-S1834 PolarHBondContact O-OG 3.25Å; S1832-S1834 PolarHBondContact O-N 3.12Å; S1832-S1834 VanDerWaalsContact O-N 3.13Å
1835	S	37.1	Very low	40.8	Very low	87.8 Å²	87.8	87.7 Å²	87.7	61%	0.614	53%	0.534	S	S	*	.			trans	-131.2	31.6	-174.9	61.6	0	0	0	0	114.3	S1832 S1833 S1837	S1832-S1835 PolarHBondContact O-N 3.07Å; S1832-S1835 VanDerWaalsContact O-N 3.12Å; S1832-S1835 PolarHBondContact O-OG 3.13Å; S1832-S1835 VanDerWaalsContact O-OG 3.14Å; S1833-S1835 PolarHBondContact O-N 2.87Å; S1835-S1837 VanDerWaalsContact C-N 3.33Å; S1835-S1837 PolarHBondContact O-N 3.38Å
1836	S	33.3	Very low	41.4	Very low	106.4 Å²	106.4	87.9 Å²	87.9	74%	0.744	54%	0.535	S	S	*	.			trans	-114.4	46.6	-174.9	62.9	0	0	0	0	114.6	S1833	S1833-S1836 PolarHBondContact O-OG 3.09Å
1837	S	37.5	Very low	42.2	Very low	65 Å²	65	84.7 Å²	84.7	46%	0.455	52%	0.518	S	S	.	.	S	Bend	trans	-158	113.5	173.3	55	0	0	0	0	112.8	S1835 E2009 N2010	S1835-S1837 VanDerWaalsContact C-N 3.33Å; S1835-S1837 PolarHBondContact O-N 3.38Å; S1837-E2009 VanDerWaalsContact CB-OE1 3.23Å; S1837-E2009 WeakPolarHBondContact CB-OE1 3.41Å; S1837-E2009 WeakPolarHBondContact CB-OE2 3.24Å; S1837-E2009 VanDerWaalsContact OG-CD 3.22Å; S1837-E2009 PolarHBondContact OG-OE1 2.84Å; S1837-E2009 PolarHBondContact OG-OE2 3.09Å; S1837-N2010 WeakPolarHBondContact CB-ND2 3.34Å; S1837-N2010 PolarHBondContact OG-ND2 3.15Å
1838	T	36	Very low	43.5	Very low	112.4 Å²	112.4	87.7 Å²	87.7	69%	0.69	54%	0.537	S	S	*	.			trans	45.6	118.9	163.6	47	0	0	0	0	119.6	S1840	T1838-S1840 VanDerWaalsContact C-N 3.33Å; T1838-S1840 PolarHBondContact O-N 3.29Å; T1838-S1840 VanDerWaalsContact O-N 3.09Å
1839	P	28.8	Very low	45.1	Very low	141.2 Å²	141.2	85 Å²	85	92%	0.917	52%	0.517	S	S	*	.			trans	-79.2	76.9	178.6	34.1	-36	0	0	0	113
1840	S	30.6	Very low	46.5	Very low	86 Å²	86	84.4 Å²	84.4	60%	0.601	51%	0.51	S	S	*	.			trans	-98.1	120.4	171.1	55.9	0	0	0	0	111.9	T1838 T1842	T1838-S1840 VanDerWaalsContact C-N 3.33Å; T1838-S1840 PolarHBondContact O-N 3.29Å; T1838-S1840 VanDerWaalsContact O-N 3.09Å; S1840-T1842 PolarHBondContact O-N 3.27Å; S1840-T1842 PolarHBondContact O-OG1 3.19Å; S1840-T1842 VanDerWaalsContact O-OG1 3.11Å
1841	Q	28.5	Very low	48.3	Very low	199.4 Å²	199.4	87.2 Å²	87.2	93%	0.932	52%	0.521	S	S	*	.			trans	-50.9	85.4	-178.9	-62.1	174.2	-3.2	0	0	114.1
1842	T	32.6	Very low	50	Low	120.8 Å²	120.8	84.3 Å²	84.3	74%	0.741	51%	0.506	S	S	*	.			trans	-140.8	100.7	171.6	39.8	0	0	0	0	112.8	S1840 S1844	S1840-T1842 PolarHBondContact O-N 3.27Å; S1840-T1842 PolarHBondContact O-OG1 3.19Å; S1840-T1842 VanDerWaalsContact O-OG1 3.11Å; T1842-S1844 PolarHBondContact O-N 3.04Å; T1842-S1844 VanDerWaalsContact O-N 3.14Å
1843	V	35.4	Very low	51.8	Low	123.6 Å²	123.6	83.5 Å²	83.5	75%	0.749	49%	0.494	S	S	*	.			trans	1.8	91	166.9	-169.7	0	0	0	0	114.7	S1845	V1843-S1845 PolarHBondContact O-N 3.15Å
1844	S	36.9	Very low	53.5	Low	83.4 Å²	83.4	83.2 Å²	83.2	58%	0.583	50%	0.496	S	S	*	.			trans	-72.7	75.5	161.6	-171.1	0	0	0	0	109	T1842 K1846	T1842-S1844 PolarHBondContact O-N 3.04Å; T1842-S1844 VanDerWaalsContact O-N 3.14Å; S1844-K1846 PolarHBondContact O-N 3.09Å; S1844-K1846 VanDerWaalsContact O-N 3.08Å
1845	S	48.2	Very low	55.1	Low	37.4 Å²	37.4	80.7 Å²	80.7	26%	0.262	48%	0.482	S	S	.	.			trans	-58.1	112.5	-179	53.5	0	0	0	0	109.8	V1843 L1847	V1843-S1845 PolarHBondContact O-N 3.15Å; S1845-L1847 WeakPolarHBondContact O-CD1 3.34Å; S1845-L1847 PolarHBondContact O-N 3.15Å
1846	K	58.5	Low	57.1	Low	154.4 Å²	154.4	79.8 Å²	79.8	67%	0.671	49%	0.485	S	S	*	.			trans	-57	101.7	176.5	-176.8	178.9	179.8	175	0	109.6	S1844 N1848	S1844-K1846 PolarHBondContact O-N 3.09Å; S1844-K1846 VanDerWaalsContact O-N 3.08Å; K1846-N1848 VanDerWaalsContact CE-OD1 3.27Å; K1846-N1848 WeakPolarHBondContact CE-OD1 3.37Å; K1846-N1848 PolarHBondContact O-N 3.2Å; K1846-N1848 VanDerWaalsContact O-N 3.13Å
1847	L	63.3	Low	59.5	Low	6.2 Å²	6.2	77.6 Å²	77.6	3%	0.032	47%	0.468	C	S	.	.			trans	-65.7	112.6	174.3	-67.7	91.1	0	0	0	107.3	A1786 L1787 G1788 S1845 L1849 C1891 F1895	A1786-L1847 CarbonylContact O-C 3.58Å; A1786-L1847 VanDerWaalsContact O-O 3.12Å; L1787-L1847 CarbonylContact C-O 3.53Å; G1788-L1847 PolarHBondContact N-O 3.24Å; S1845-L1847 WeakPolarHBondContact O-CD1 3.34Å; S1845-L1847 PolarHBondContact O-N 3.15Å; L1847-L1849 HydrophobicContact CB-CD1 4.39Å; L1847-L1849 HydrophobicContact CD2-CD1 4.12Å; L1847-L1849 HydrophobicContact CG-CD1 4.33Å; L1847-C1891 HydrophobicContact CD1-CB 4.49Å; L1847-C1891 HydrophobicContact CD2-CB 4.37Å; L1847-C1891 WeakPolarHBondContact CD2-O 3.37Å; L1847-F1895 HydrophobicContact CD2-CB 3.74Å; L1847-F1895 HydrophobicContact CD2-CD2 4.32Å; L1847-F1895 HydrophobicContact CD2-CG 4.37Å
1848	N	68.8	Low	61.9	Low	112.8 Å²	112.8	76.4 Å²	76.4	60%	0.603	46%	0.456	S	S	*	.			trans	-107.2	67.4	173	-85.5	-18.2	0	0	0	107.6	K1846	K1846-N1848 VanDerWaalsContact CE-OD1 3.27Å; K1846-N1848 WeakPolarHBondContact CE-OD1 3.37Å; K1846-N1848 PolarHBondContact O-N 3.2Å; K1846-N1848 VanDerWaalsContact O-N 3.13Å
1849	L	81.7	Confident	64.4	Low	6 Å²	6	71.1 Å²	71.1	3%	0.031	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-89.7	135.8	177.7	-73.5	164.3	0	0	0	109.3	A1786 L1847 A1862 L1892 F1895	A1786-L1849 HydrophobicContact CB-CB 3.98Å; A1786-L1849 PolarHBondContact O-N 2.91Å; L1847-L1849 HydrophobicContact CB-CD1 4.39Å; L1847-L1849 HydrophobicContact CD2-CD1 4.12Å; L1847-L1849 HydrophobicContact CG-CD1 4.33Å; L1849-A1862 WeakPolarHBondContact CD2-O 3.42Å; L1849-L1892 HydrophobicContact CD2-CD1 4.15Å; L1849-F1895 HydrophobicContact CD1-CB 3.56Å; L1849-F1895 HydrophobicContact CD1-CD1 3.65Å; L1849-F1895 HydrophobicContact CD1-CD2 3.5Å; L1849-F1895 VanDerWaalsContact CD1-CD2 3.49Å; L1849-F1895 HydrophobicContact CD1-CE1 4.14Å; L1849-F1895 HydrophobicContact CD1-CE2 4.02Å; L1849-F1895 HydrophobicContact CD1-CG 3.28Å; L1849-F1895 HydrophobicContact CD1-CZ 4.3Å
1850	I	83.1	Confident	67.3	Low	33.8 Å²	33.8	64.4 Å²	64.4	17%	0.173	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.4	179.6	-68.8	141.5	0	0	0	108.4	P1689 F1691 V1852 Y1861 A1862 L1865	P1689-I1850 HydrophobicContact CB-CG2 4.37Å; P1689-I1850 HydrophobicContact CG-CG2 3.82Å; F1691-I1850 HydrophobicContact CD1-CD1 4.42Å; F1691-I1850 HydrophobicContact CE1-CD1 3.63Å; F1691-I1850 HydrophobicContact CE1-CG1 4.37Å; F1691-I1850 HydrophobicContact CZ-CD1 4.34Å; I1850-V1852 HydrophobicContact CB-CG2 4.39Å; I1850-V1852 HydrophobicContact CG2-CG2 3.91Å; I1850-V1852 WeakPolarHBondContact O-CG2 3.39Å; I1850-Y1861 CarbonylContact O-C 3.54Å; I1850-Y1861 VanDerWaalsContact O-CA 3.32Å; I1850-Y1861 WeakPolarHBondContact O-CA 3.31Å; I1850-A1862 PolarHBondContact N-O 3.16Å; I1850-A1862 VanDerWaalsContact N-O 3.16Å; I1850-A1862 PolarHBondContact O-N 3.13Å; I1850-L1865 HydrophobicContact CB-CD1 3.94Å; I1850-L1865 HydrophobicContact CD1-CB 3.5Å; I1850-L1865 VanDerWaalsContact CD1-CB 3.48Å; I1850-L1865 HydrophobicContact CD1-CD1 3.7Å; I1850-L1865 HydrophobicContact CD1-CG 4.25Å; I1850-L1865 HydrophobicContact CG1-CD1 4.43Å; I1850-L1865 HydrophobicContact CG2-CD1 4.09Å
1851	K	87.1	Confident	70.2	Confident	78.6 Å²	78.6	60.3 Å²	60.3	34%	0.342	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.9	171	-163.7	179.5	-160.9	163.8	0	108.5	I1779 D1783 V1859 Y1861	I1779-K1851 VanDerWaalsContact CG2-NZ 3.32Å; D1783-K1851 VanDerWaalsContact CG-NZ 3.29Å; D1783-K1851 VanDerWaalsContact OD1-CD 3.29Å; D1783-K1851 WeakPolarHBondContact OD1-CD 3.36Å; D1783-K1851 VanDerWaalsContact OD1-CE 3.25Å; D1783-K1851 WeakPolarHBondContact OD1-CE 3.41Å; D1783-K1851 IonicContact OD1-NZ 3.43Å; D1783-K1851 PolarHBondContact OD1-NZ 3.45Å; D1783-K1851 VanDerWaalsContact OD1-NZ 3.11Å; D1783-K1851 IonicContact OD2-NZ 3.22Å; D1783-K1851 PolarHBondContact OD2-NZ 3.01Å; K1851-V1859 HydrophobicContact CD-CG1 4.46Å; K1851-V1859 VanDerWaalsContact CE-CG1 3.47Å; K1851-V1859 HydrophobicContact CG-CG1 4.19Å; K1851-Y1861 HydrophobicContact CB-CD1 4.24Å; K1851-Y1861 HydrophobicContact CB-CE1 4.06Å; K1851-Y1861 HydrophobicContact CD-CE1 4.48Å; K1851-Y1861 HydrophobicContact CG-CD1 4.43Å; K1851-Y1861 HydrophobicContact CG-CE1 3.99Å
1852	V	83.1	Confident	73.1	Confident	5.4 Å²	5.4	50.8 Å²	50.8	3%	0.033	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	-22.3	-164.6	164	0	0	0	0	113	L1715 I1850 G1860 A1862 L1865 F1937 L1949	L1715-V1852 HydrophobicContact CD1-CG1 4.38Å; I1850-V1852 HydrophobicContact CB-CG2 4.39Å; I1850-V1852 HydrophobicContact CG2-CG2 3.91Å; I1850-V1852 WeakPolarHBondContact O-CG2 3.39Å; V1852-G1860 PolarHBondContact N-O 3.05Å; V1852-A1862 HydrophobicContact CB-CB 4.28Å; V1852-A1862 HydrophobicContact CG1-CB 4.39Å; V1852-A1862 HydrophobicContact CG2-CB 3.66Å; V1852-L1865 HydrophobicContact CG2-CD1 4.19Å; V1852-F1937 HydrophobicContact CB-CE1 4.39Å; V1852-F1937 HydrophobicContact CG1-CE1 3.72Å; V1852-F1937 HydrophobicContact CG1-CZ 4.3Å; V1852-F1937 HydrophobicContact CG2-CE1 3.68Å; V1852-F1937 HydrophobicContact CG2-CZ 4.4Å; V1852-L1949 HydrophobicContact CG1-CB 3.31Å; V1852-L1949 VanDerWaalsContact CG1-CB 3.44Å; V1852-L1949 HydrophobicContact CG1-CD1 4.05Å; V1852-L1949 HydrophobicContact CG1-CD2 3.86Å; V1852-L1949 HydrophobicContact CG1-CG 4.17Å
1853	Y	83.6	Confident	75.6	Confident	49.6 Å²	49.6	45.7 Å²	45.7	20%	0.195	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143.4	173.6	-178.4	-96	0	0	0	109.7	L1717 M1858 V1859 G1860 L1954 R1958	L1717-Y1853 HydrophobicContact CD1-CD1 3.67Å; L1717-Y1853 HydrophobicContact CD1-CE1 4.24Å; L1717-Y1853 HydrophobicContact CD1-CG 4.39Å; L1717-Y1853 HydrophobicContact CD2-CD1 4.4Å; Y1853-M1858 HydrophobicContact CD1-CB 4.49Å; Y1853-M1858 HydrophobicContact CE1-CB 4.05Å; Y1853-V1859 CarbonylContact O-C 3.55Å; Y1853-V1859 WeakPolarHBondContact O-CA 3.38Å; Y1853-G1860 PolarHBondContact N-O 3.2Å; Y1853-G1860 PolarHBondContact O-N 3.08Å; Y1853-L1954 HydrophobicContact CD2-CD1 4.37Å; Y1853-L1954 HydrophobicContact CD2-CD2 4.34Å; Y1853-L1954 HydrophobicContact CG-CD1 4.41Å; Y1853-R1958 PolarHBondContact OH-NH1 3.22Å; Y1853-R1958 VanDerWaalsContact OH-NH1 3.1Å
1854	A	82.5	Confident	77.5	Confident	63.8 Å²	63.8	40.8 Å²	40.8	53%	0.527	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	128.1	167.1	0	0	0	0	0	107.9	M1858	A1854-M1858 WeakPolarHBondContact CA-O 3.31Å
1855	G	79.6	Confident	79	Confident	21.2 Å²	21.2	37.2 Å²	37.2	22%	0.219	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	113.6	-178.9	0	0	0	0	0	112	T1857 M1858	G1855-T1857 PolarHBondContact O-N 3.2Å; G1855-M1858 PolarHBondContact N-O 3Å; G1855-M1858 WeakPolarHBondContact O-CB 3.41Å; G1855-M1858 PolarHBondContact O-N 3.2Å; G1855-M1858 VanDerWaalsContact O-N 3.07Å
1856	G	79.7	Confident	79.5	Confident	67.4 Å²	67.4	38.3 Å²	38.3	70%	0.695	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	-126.4	-174.1	0	0	0	0	0	111.7	M1858	G1856-M1858 VanDerWaalsContact C-N 3.29Å; G1856-M1858 PolarHBondContact O-N 3.03Å
1857	T	83.2	Confident	78.9	Confident	61.8 Å²	61.8	34.7 Å²	34.7	38%	0.379	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-2.5	175.5	52.1	0	0	0	0	114.2	N1719 F1720 L1775 G1855	N1719-T1857 WeakPolarHBondContact OD1-CB 3.43Å; N1719-T1857 PolarHBondContact OD1-OG1 3.07Å; F1720-T1857 WeakPolarHBondContact CD2-O 3.36Å; F1720-T1857 PolarHBondContact N-O 3.19Å; F1720-T1857 WeakPolarHBondContact O-CB 3.45Å; F1720-T1857 WeakPolarHBondContact O-CG2 3.37Å; L1775-T1857 HydrophobicContact CD2-CG2 4.43Å; G1855-T1857 PolarHBondContact O-N 3.2Å
1858	M	87.6	Confident	77.9	Confident	38.8 Å²	38.8	40.6 Å²	40.6	19%	0.191	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.3	-175.6	-67.3	-179.6	-74.6	0	0	112.7	L1717 I1718 N1719 Y1853 A1854 G1855 G1856 L1961	L1717-M1858 HydrophobicContact CD1-CB 4.23Å; L1717-M1858 HydrophobicContact CD2-SD 4.33Å; I1718-M1858 CarbonylContact O-C 3.57Å; I1718-M1858 VanDerWaalsContact O-CA 3.29Å; I1718-M1858 WeakPolarHBondContact O-CA 3.27Å; N1719-M1858 HydrophobicContact CB-CG 3.97Å; Y1853-M1858 HydrophobicContact CD1-CB 4.49Å; Y1853-M1858 HydrophobicContact CE1-CB 4.05Å; A1854-M1858 WeakPolarHBondContact CA-O 3.31Å; G1855-M1858 PolarHBondContact N-O 3Å; G1855-M1858 WeakPolarHBondContact O-CB 3.41Å; G1855-M1858 PolarHBondContact O-N 3.2Å; G1855-M1858 VanDerWaalsContact O-N 3.07Å; G1856-M1858 VanDerWaalsContact C-N 3.29Å; G1856-M1858 PolarHBondContact O-N 3.03Å; M1858-L1961 HydrophobicContact CG-CD2 3.88Å; M1858-L1961 HydrophobicContact SD-CD1 4.06Å; M1858-L1961 HydrophobicContact SD-CD2 3.48Å; M1858-L1961 WeakPolarHBondContact SD-CD2 3.48Å
1859	V	90	Very high	76.7	Confident	1.6 Å²	1.6	41.1 Å²	41.1	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.9	172.7	-170.9	0	0	0	0	110	I1718 F1720 I1779 K1851 Y1853 Y1861	I1718-V1859 PolarHBondContact N-O 3.2Å; I1718-V1859 PolarHBondContact O-N 3.35Å; F1720-V1859 HydrophobicContact CE2-CB 4.45Å; F1720-V1859 HydrophobicContact CE2-CG2 4.21Å; I1779-V1859 HydrophobicContact CD1-CG2 3.7Å; I1779-V1859 HydrophobicContact CG1-CG2 3.89Å; I1779-V1859 HydrophobicContact CG2-CG2 4.43Å; K1851-V1859 HydrophobicContact CD-CG1 4.46Å; K1851-V1859 VanDerWaalsContact CE-CG1 3.47Å; K1851-V1859 HydrophobicContact CG-CG1 4.19Å; Y1853-V1859 CarbonylContact O-C 3.55Å; Y1853-V1859 WeakPolarHBondContact O-CA 3.38Å; V1859-Y1861 HydrophobicContact CB-CE2 4.1Å; V1859-Y1861 HydrophobicContact CG1-CD2 4.3Å; V1859-Y1861 HydrophobicContact CG1-CE1 4.42Å; V1859-Y1861 HydrophobicContact CG1-CE2 3.49Å; V1859-Y1861 VanDerWaalsContact CG1-CE2 3.49Å; V1859-Y1861 WeakPolarHBondContact CG1-OH 3.4Å
1860	G	89.9	Confident	74.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.3	-179	0	0	0	0	0	113.1	V1716 V1852 Y1853	V1716-G1860 CarbonylContact O-C 3.58Å; V1716-G1860 WeakPolarHBondContact O-CA 3.3Å; V1852-G1860 PolarHBondContact N-O 3.05Å; Y1853-G1860 PolarHBondContact N-O 3.2Å; Y1853-G1860 PolarHBondContact O-N 3.08Å
1861	Y	90.8	Very high	72.1	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	-125.1	137.8	179.4	-61.6	-86.9	0	0	0	110.6	V1716 I1718 V1782 D1783 A1786 I1850 K1851 V1859 F1895	V1716-Y1861 PolarHBondContact N-O 3.24Å; V1716-Y1861 PolarHBondContact O-N 3.15Å; I1718-Y1861 HydrophobicContact CD1-CD2 4.15Å; I1718-Y1861 HydrophobicContact CD1-CE2 4.27Å; V1782-Y1861 HydrophobicContact CG1-CE2 3.6Å; V1782-Y1861 WeakPolarHBondContact CG1-OH 3.38Å; D1783-Y1861 WeakPolarHBondContact OD1-CE1 3.44Å; D1783-Y1861 PolarHBondContact OD1-OH 3.08Å; A1786-Y1861 HydrophobicContact CB-CD1 3.79Å; A1786-Y1861 HydrophobicContact CB-CE1 3.73Å; I1850-Y1861 CarbonylContact O-C 3.54Å; I1850-Y1861 VanDerWaalsContact O-CA 3.32Å; I1850-Y1861 WeakPolarHBondContact O-CA 3.31Å; K1851-Y1861 HydrophobicContact CB-CD1 4.24Å; K1851-Y1861 HydrophobicContact CB-CE1 4.06Å; K1851-Y1861 HydrophobicContact CD-CE1 4.48Å; K1851-Y1861 HydrophobicContact CG-CD1 4.43Å; K1851-Y1861 HydrophobicContact CG-CE1 3.99Å; V1859-Y1861 HydrophobicContact CB-CE2 4.1Å; V1859-Y1861 HydrophobicContact CG1-CD2 4.3Å; V1859-Y1861 HydrophobicContact CG1-CE1 4.42Å; V1859-Y1861 HydrophobicContact CG1-CE2 3.49Å; V1859-Y1861 VanDerWaalsContact CG1-CE2 3.49Å; V1859-Y1861 WeakPolarHBondContact CG1-OH 3.4Å; Y1861-F1895 HydrophobicContact CD1-CZ 4.16Å; Y1861-F1895 AromaticContact CD2-CE1 3.6Å; Y1861-F1895 HydrophobicContact CD2-CE1 3.6Å; Y1861-F1895 AromaticContact CD2-CZ 3.65Å; Y1861-F1895 HydrophobicContact CD2-CZ 3.65Å; 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 3.81Å; Y1861-F1895 HydrophobicContact CG-CE1 3.81Å; Y1861-F1895 AromaticContact CG-CZ 3.8Å; Y1861-F1895 HydrophobicContact CG-CZ 3.8Å
1862	A	88.5	Confident	69.5	Low	0 Å²	0	54.6 Å²	54.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.1	-177.4	0	0	0	0	0	113.9	I1713 G1714 L1715 L1849 I1850 V1852 L1865 F1937	I1713-A1862 HydrophobicContact CG2-CB 4.21Å; G1714-A1862 CarbonylContact O-C 3.58Å; G1714-A1862 VanDerWaalsContact O-CA 3.25Å; G1714-A1862 WeakPolarHBondContact O-CA 3.45Å; L1715-A1862 HydrophobicContact CD1-CB 4.26Å; L1849-A1862 WeakPolarHBondContact CD2-O 3.42Å; I1850-A1862 PolarHBondContact N-O 3.16Å; I1850-A1862 VanDerWaalsContact N-O 3.16Å; I1850-A1862 PolarHBondContact O-N 3.13Å; V1852-A1862 HydrophobicContact CB-CB 4.28Å; V1852-A1862 HydrophobicContact CG1-CB 4.39Å; V1852-A1862 HydrophobicContact CG2-CB 3.66Å; A1862-L1865 HydrophobicContact CB-CD1 4.03Å; A1862-F1937 HydrophobicContact CB-CZ 4.37Å
1863	T	85.9	Confident	67.1	Low	14 Å²	14	59 Å²	59	9%	0.086	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	159.4	171.7	-167	0	0	0	0	110.5	I1713 G1714 Q1888 L1892	I1713-T1863 WeakPolarHBondContact CG1-O 3.37Å; I1713-T1863 WeakPolarHBondContact CG2-O 3.35Å; G1714-T1863 PolarHBondContact N-O 3.17Å; G1714-T1863 PolarHBondContact O-N 3.06Å; T1863-Q1888 HydrophobicContact CG2-CB 3.98Å; T1863-L1892 HydrophobicContact CG2-CB 4.39Å; T1863-L1892 HydrophobicContact CG2-CD1 3.81Å; T1863-L1892 HydrophobicContact CG2-CD2 4.38Å; T1863-L1892 HydrophobicContact CG2-CG 4.46Å
1864	G	75.7	Confident	64.7	Low	20.6 Å²	20.6	64.7 Å²	64.7	21%	0.212	39%	0.391	C	S	.	.			trans	90.7	3.5	-176	0	0	0	0	0	115.2	G1866	G1864-G1866 VanDerWaalsContact C-N 3.3Å; G1864-G1866 PolarHBondContact O-N 3.2Å; G1864-G1866 VanDerWaalsContact O-N 3.09Å
1865	L	68.4	Low	62.4	Low	7.4 Å²	7.4	68.6 Å²	68.6	4%	0.039	40%	0.403	C	S	.	.			trans	-80.4	9.3	177.2	-83.5	165.9	0	0	0	114.9	F1691 I1713 I1850 V1852 A1862 T1867 F1937	F1691-L1865 HydrophobicContact CE2-CD2 4.37Å; F1691-L1865 HydrophobicContact CZ-CB 4.47Å; F1691-L1865 HydrophobicContact CZ-CD1 4.46Å; F1691-L1865 HydrophobicContact CZ-CD2 4.05Å; I1713-L1865 HydrophobicContact CD1-CD2 3.96Å; I1713-L1865 HydrophobicContact CD1-CG 3.91Å; I1850-L1865 HydrophobicContact CB-CD1 3.94Å; I1850-L1865 HydrophobicContact CD1-CB 3.5Å; I1850-L1865 VanDerWaalsContact CD1-CB 3.48Å; I1850-L1865 HydrophobicContact CD1-CD1 3.7Å; I1850-L1865 HydrophobicContact CD1-CG 4.25Å; I1850-L1865 HydrophobicContact CG1-CD1 4.43Å; I1850-L1865 HydrophobicContact CG2-CD1 4.09Å; V1852-L1865 HydrophobicContact CG2-CD1 4.19Å; A1862-L1865 HydrophobicContact CB-CD1 4.03Å; L1865-T1867 PolarHBondContact O-N 3.16Å; L1865-F1937 HydrophobicContact CD1-CD1 4.46Å; L1865-F1937 HydrophobicContact CD1-CE1 3.81Å; L1865-F1937 HydrophobicContact CD1-CE2 4.36Å; L1865-F1937 HydrophobicContact CD1-CZ 3.71Å; L1865-F1937 HydrophobicContact CD2-CD1 4.33Å; L1865-F1937 HydrophobicContact CD2-CD2 3.86Å; L1865-F1937 HydrophobicContact CD2-CE1 4.13Å; L1865-F1937 HydrophobicContact CD2-CE2 3.61Å; L1865-F1937 VanDerWaalsContact CD2-CE2 3.42Å; L1865-F1937 HydrophobicContact CD2-CG 4.24Å; L1865-F1937 HydrophobicContact CD2-CZ 3.74Å; L1865-F1937 HydrophobicContact CG-CE1 4.46Å; L1865-F1937 HydrophobicContact CG-CE2 4.25Å; L1865-F1937 HydrophobicContact CG-CZ 3.99Å
1866	G	59.1	Low	60.2	Low	61.2 Å²	61.2	75.6 Å²	75.6	63%	0.631	43%	0.43	S	S	*	.			trans	-65.3	137.6	-178.7	0	0	0	0	0	112.8	G1864 H1868	G1864-G1866 VanDerWaalsContact C-N 3.3Å; G1864-G1866 PolarHBondContact O-N 3.2Å; G1864-G1866 VanDerWaalsContact O-N 3.09Å; G1866-H1868 PolarHBondContact O-N 3.2Å; G1866-H1868 VanDerWaalsContact O-N 3.08Å
1867	T	46.4	Very low	58.3	Low	78.6 Å²	78.6	76.3 Å²	76.3	48%	0.482	42%	0.415	S	S	.	.			trans	-72.1	95.2	177.1	42.5	0	0	0	0	111.1	F1691 L1865 E1869	F1691-T1867 HydrophobicContact CB-CG2 4.2Å; L1865-T1867 PolarHBondContact O-N 3.16Å; T1867-E1869 PolarHBondContact O-N 3.2Å; T1867-E1869 VanDerWaalsContact O-N 3.15Å
1868	H	42.2	Very low	56.2	Low	129.6 Å²	129.6	78.4 Å²	78.4	60%	0.6	43%	0.432	S	S	*	.			trans	-75.5	40.4	171.3	-159	-56.8	0	0	0	111.9	G1866 S1871 H1877	G1866-H1868 PolarHBondContact O-N 3.2Å; G1866-H1868 VanDerWaalsContact O-N 3.08Å; H1868-S1871 PolarHBondContact CE1-OG 3.34Å; H1868-S1871 PolarHBondContact ND1-OG 3.37Å; H1868-S1871 VanDerWaalsContact ND1-OG 3.13Å; H1868-H1877 AromaticContact CE1-CE1 3.17Å; H1868-H1877 PolarHBondContact CE1-CE1 2.96Å; H1868-H1877 AromaticContact CE1-ND1 3.14Å; H1868-H1877 PolarHBondContact CE1-ND1 2.84Å; H1868-H1877 AromaticContact CE1-NE2 3.44Å; H1868-H1877 PolarHBondContact CE1-NE2 3.2Å; H1868-H1877 AromaticContact ND1-CE1 3.98Å; H1868-H1877 AromaticContact NE2-CE1 3.42Å; H1868-H1877 PolarHBondContact NE2-CE1 3.01Å; H1868-H1877 AromaticContact NE2-ND1 3.11Å; H1868-H1877 PolarHBondContact NE2-ND1 2.92Å; H1868-H1877 VanDerWaalsContact NE2-ND1 3.11Å
1869	E	41.8	Very low	54	Low	123.2 Å²	123.2	83.6 Å²	83.6	58%	0.576	46%	0.459	S	S	*	.			trans	-119.7	12.4	-171.1	-66.1	173.2	-166	0	0	111.7	K1695 K1708 T1867	K1695-E1869 WeakPolarHBondContact CE-OE2 3.46Å; K1695-E1869 VanDerWaalsContact NZ-CD 3.29Å; K1695-E1869 IonicContact NZ-OE1 3.96Å; K1695-E1869 PolarHBondContact NZ-OE1 3.24Å; K1695-E1869 VanDerWaalsContact NZ-OE1 3.13Å; K1695-E1869 IonicContact NZ-OE2 2.98Å; K1695-E1869 PolarHBondContact NZ-OE2 3.22Å; K1708-E1869 IonicContact NZ-OE1 3.05Å; K1708-E1869 PolarHBondContact NZ-OE1 3.2Å; K1708-E1869 IonicContact NZ-OE2 3.35Å; T1867-E1869 PolarHBondContact O-N 3.2Å; T1867-E1869 VanDerWaalsContact O-N 3.15Å
1870	E	36.8	Very low	51.7	Low	182.2 Å²	182.2	89.7 Å²	89.7	85%	0.851	49%	0.486	S	S	*	.	S	Bend	trans	-116.9	37.7	178.2	-159.4	171.4	-140.7	0	0	111.2	R1291	R1291-E1870 IonicContact NH1-OE1 2.9Å; R1291-E1870 PolarHBondContact NH1-OE1 2.71Å
1871	S	31.5	Very low	49.4	Very low	48.4 Å²	48.4	92.1 Å²	92.1	34%	0.338	51%	0.505	S	S	.	.			trans	-145.4	63.2	179	72.5	0	0	0	0	113.2	H1868 C1873	H1868-S1871 PolarHBondContact CE1-OG 3.34Å; H1868-S1871 PolarHBondContact ND1-OG 3.37Å; H1868-S1871 VanDerWaalsContact ND1-OG 3.13Å; S1871-C1873 PolarHBondContact O-N 3.04Å
1872	D	32.5	Very low	47.1	Very low	171.4 Å²	171.4	95.7 Å²	95.7	92%	0.917	53%	0.531	S	S	*	.			trans	-70.4	59.2	160.9	-81.1	-36.3	0	0	0	110.5	Q1874	D1872-Q1874 VanDerWaalsContact C-N 3.31Å; D1872-Q1874 PolarHBondContact O-N 3.16Å
1873	C	34.2	Very low	45.2	Very low	98.2 Å²	98.2	102.2 Å²	102.2	66%	0.664	56%	0.561	S	S	*	*			trans	-131	93.8	176.2	-75	0	0	0	0	108.4	S1871 H1877	S1871-C1873 PolarHBondContact O-N 3.04Å; C1873-H1877 PolarHBondContact O-CD2 3.44Å; C1873-H1877 PolarHBondContact O-NE2 3.3Å
1874	Q	33.2	Very low	43.8	Very low	168.8 Å²	168.8	104.9 Å²	104.9	79%	0.789	58%	0.578	S	S	*	*			trans	-59.3	149.4	-178.9	-65.1	166.7	-15.9	0	0	111.5	D1872 H1876	D1872-Q1874 VanDerWaalsContact C-N 3.31Å; D1872-Q1874 PolarHBondContact O-N 3.16Å; Q1874-H1876 PolarHBondContact O-N 3.39Å
1875	N	32.7	Very low	42.9	Very low	145.8 Å²	145.8	105.6 Å²	105.6	78%	0.78	58%	0.578	S	S	*	*	S	Bend	trans	78.3	24.3	158.7	-50.6	-33.5	0	0	0	120.6
1876	H	34.8	Very low	42.4	Very low	168.6 Å²	168.6	107.6 Å²	107.6	78%	0.781	59%	0.59	S	S	*	*			trans	-139.5	8.4	168	-87.3	-59.3	0	0	0	117	Q1874 S1878	Q1874-H1876 PolarHBondContact O-N 3.39Å; H1876-S1878 PolarHBondContact O-N 2.9Å
1877	H	39.8	Very low	42.7	Very low	82.4 Å²	82.4	109.2 Å²	109.2	38%	0.381	59%	0.585	S	S	.	*	H	α-helix	trans	-88.8	-5	-158.1	-105.1	-97	0	0	0	119.1	H1868 C1873 L1879 K1880 A1881	H1868-H1877 AromaticContact CE1-CE1 3.17Å; H1868-H1877 PolarHBondContact CE1-CE1 2.96Å; H1868-H1877 AromaticContact CE1-ND1 3.14Å; H1868-H1877 PolarHBondContact CE1-ND1 2.84Å; H1868-H1877 AromaticContact CE1-NE2 3.44Å; H1868-H1877 PolarHBondContact CE1-NE2 3.2Å; H1868-H1877 AromaticContact ND1-CE1 3.98Å; H1868-H1877 AromaticContact NE2-CE1 3.42Å; H1868-H1877 PolarHBondContact NE2-CE1 3.01Å; H1868-H1877 AromaticContact NE2-ND1 3.11Å; H1868-H1877 PolarHBondContact NE2-ND1 2.92Å; H1868-H1877 VanDerWaalsContact NE2-ND1 3.11Å; C1873-H1877 PolarHBondContact O-CD2 3.44Å; C1873-H1877 PolarHBondContact O-NE2 3.3Å; H1877-L1879 VanDerWaalsContact C-N 3.3Å; H1877-L1879 PolarHBondContact O-N 3.09Å; H1877-K1880 VanDerWaalsContact CE1-CD 3.45Å; H1877-K1880 WeakPolarHBondContact CE1-CD 3.42Å; H1877-K1880 VanDerWaalsContact NE2-CD 3.29Å; H1877-K1880 WeakPolarHBondContact NE2-CD 3.31Å; H1877-K1880 PolarHBondContact NE2-NZ 3.35Å; H1877-K1880 PolarHBondContact O-N 3.14Å; H1877-K1880 VanDerWaalsContact O-N 3.13Å; H1877-A1881 WeakPolarHBondContact O-CB 3.46Å; H1877-A1881 PolarHBondContact O-N 3.34Å
1878	S	38.9	Very low	44.1	Very low	106 Å²	106	107.6 Å²	107.6	74%	0.741	57%	0.572	S	S	*	*	H	α-helix	trans	-63.4	-40.3	-175	68.4	0	0	0	0	114.4	H1876	H1876-S1878 PolarHBondContact O-N 2.9Å
1879	L	41	Very low	45.9	Very low	147 Å²	147	101.6 Å²	101.6	77%	0.77	54%	0.544	S	S	*	.	H	α-helix	trans	-77.4	-36.7	-179.3	-81	147.3	0	0	0	113.4	H1877 A1881 S1882 Q1883	H1877-L1879 VanDerWaalsContact C-N 3.3Å; H1877-L1879 PolarHBondContact O-N 3.09Å; L1879-A1881 VanDerWaalsContact C-N 3.28Å; L1879-A1881 PolarHBondContact O-N 3.27Å; L1879-S1882 PolarHBondContact O-N 3.11Å; L1879-Q1883 PolarHBondContact O-N 3.42Å
1880	K	41.7	Very low	47.5	Very low	130.2 Å²	130.2	96.6 Å²	96.6	57%	0.566	52%	0.522	S	S	*	.	H	α-helix	trans	-69.1	-27.6	-179.5	-78.2	-179.7	173.8	178.1	0	113.1	H1877 S1882 Q1883 T1884	H1877-K1880 VanDerWaalsContact CE1-CD 3.45Å; H1877-K1880 WeakPolarHBondContact CE1-CD 3.42Å; H1877-K1880 VanDerWaalsContact NE2-CD 3.29Å; H1877-K1880 WeakPolarHBondContact NE2-CD 3.31Å; H1877-K1880 PolarHBondContact NE2-NZ 3.35Å; H1877-K1880 PolarHBondContact O-N 3.14Å; H1877-K1880 VanDerWaalsContact O-N 3.13Å; K1880-S1882 VanDerWaalsContact C-N 3.34Å; K1880-S1882 PolarHBondContact O-N 3.1Å; K1880-Q1883 PolarHBondContact O-N 2.99Å; K1880-T1884 WeakPolarHBondContact O-CG2 3.47Å; K1880-T1884 PolarHBondContact O-N 3.12Å; K1880-T1884 VanDerWaalsContact O-N 3.11Å; K1880-T1884 PolarHBondContact O-OG1 3.2Å; K1880-T1884 VanDerWaalsContact O-OG1 3.12Å
1881	A	42	Very low	49.5	Very low	49.2 Å²	49.2	89 Å²	89	41%	0.407	49%	0.489	S	S	.	.	H	α-helix	trans	-62.8	-39.1	175.8	0	0	0	0	0	112.5	H1877 L1879 T1884 T1885	H1877-A1881 WeakPolarHBondContact O-CB 3.46Å; H1877-A1881 PolarHBondContact O-N 3.34Å; L1879-A1881 VanDerWaalsContact C-N 3.28Å; L1879-A1881 PolarHBondContact O-N 3.27Å; A1881-T1884 PolarHBondContact O-N 2.94Å; A1881-T1884 PolarHBondContact O-OG1 3.27Å; A1881-T1884 VanDerWaalsContact O-OG1 3.04Å; A1881-T1885 PolarHBondContact O-N 3.11Å
1882	S	42.6	Very low	52	Low	77.2 Å²	77.2	86.8 Å²	86.8	54%	0.54	47%	0.473	S	S	.	.	H	α-helix	trans	-67.9	-48.3	177.5	-173.1	0	0	0	0	111.8	L1879 K1880 T1884 T1885 V1886	L1879-S1882 PolarHBondContact O-N 3.11Å; K1880-S1882 VanDerWaalsContact C-N 3.34Å; K1880-S1882 PolarHBondContact O-N 3.1Å; S1882-T1884 VanDerWaalsContact C-N 3.28Å; S1882-T1884 PolarHBondContact O-N 3.18Å; S1882-T1885 PolarHBondContact O-N 3.2Å; S1882-T1885 VanDerWaalsContact O-N 3.11Å; S1882-T1885 PolarHBondContact O-OG1 3.04Å; S1882-V1886 PolarHBondContact O-N 3.31Å; S1882-V1886 VanDerWaalsContact O-N 3.14Å
1883	Q	47.7	Very low	54.4	Low	136.6 Å²	136.6	80 Å²	80	64%	0.638	44%	0.437	S	S	*	.	H	α-helix	trans	-66.5	-27.8	-176.6	-159.9	171	33	0	0	113.4	L1879 K1880 N1887	L1879-Q1883 PolarHBondContact O-N 3.42Å; K1880-Q1883 PolarHBondContact O-N 2.99Å; Q1883-N1887 PolarHBondContact O-N 3.13Å; Q1883-N1887 PolarHBondContact O-ND2 3.08Å; Q1883-N1887 VanDerWaalsContact O-ND2 3.08Å
1884	T	56.7	Low	56.7	Low	69.6 Å²	69.6	79.4 Å²	79.4	43%	0.427	42%	0.423	S	S	.	.	H	α-helix	trans	-71.9	-34.5	174.9	30.9	0	0	0	0	112.8	K1880 A1881 S1882 N1887 Q1888	K1880-T1884 WeakPolarHBondContact O-CG2 3.47Å; K1880-T1884 PolarHBondContact O-N 3.12Å; K1880-T1884 VanDerWaalsContact O-N 3.11Å; K1880-T1884 PolarHBondContact O-OG1 3.2Å; K1880-T1884 VanDerWaalsContact O-OG1 3.12Å; A1881-T1884 PolarHBondContact O-N 2.94Å; A1881-T1884 PolarHBondContact O-OG1 3.27Å; A1881-T1884 VanDerWaalsContact O-OG1 3.04Å; S1882-T1884 VanDerWaalsContact C-N 3.28Å; S1882-T1884 PolarHBondContact O-N 3.18Å; T1884-N1887 PolarHBondContact O-N 3.23Å; T1884-Q1888 VanDerWaalsContact O-CG 3.25Å; T1884-Q1888 WeakPolarHBondContact O-CG 3.36Å; T1884-Q1888 PolarHBondContact O-N 3.18Å; T1884-Q1888 VanDerWaalsContact O-N 3.12Å; T1884-Q1888 PolarHBondContact O-NE2 3.09Å
1885	T	56.9	Low	59.2	Low	35.8 Å²	35.8	71.4 Å²	71.4	22%	0.22	39%	0.386	C	S	.	.	H	α-helix	trans	-69.9	-44.7	176.7	63	0	0	0	0	112.4	A1881 S1882 N1887 Q1888 W1889	A1881-T1885 PolarHBondContact O-N 3.11Å; S1882-T1885 PolarHBondContact O-N 3.2Å; S1882-T1885 VanDerWaalsContact O-N 3.11Å; S1882-T1885 PolarHBondContact O-OG1 3.04Å; T1885-N1887 VanDerWaalsContact C-N 3.25Å; T1885-N1887 PolarHBondContact O-N 3.21Å; T1885-N1887 VanDerWaalsContact O-N 3.14Å; T1885-Q1888 WeakPolarHBondContact O-CA 3.25Å; T1885-Q1888 WeakPolarHBondContact O-CB 3.38Å; T1885-Q1888 PolarHBondContact O-N 3.01Å; T1885-W1889 PolarHBondContact O-N 3.08Å; T1885-W1889 PolarHBondContact O-NE1 3.21Å; T1885-W1889 VanDerWaalsContact O-NE1 3.15Å
1886	V	58.2	Low	61.8	Low	49.2 Å²	49.2	64.6 Å²	64.6	30%	0.298	35%	0.349	S	S	.	.	H	α-helix	trans	-54.2	-39.5	176.8	173.6	0	0	0	0	111.8	S1882 Q1888 W1889 S1890 P1986	S1882-V1886 PolarHBondContact O-N 3.31Å; S1882-V1886 VanDerWaalsContact O-N 3.14Å; V1886-Q1888 PolarHBondContact O-N 3.03Å; V1886-W1889 PolarHBondContact O-N 3.35Å; V1886-S1890 WeakPolarHBondContact O-CB 3.3Å; V1886-S1890 PolarHBondContact O-N 3.04Å; V1886-S1890 VanDerWaalsContact O-N 3.15Å; V1886-S1890 PolarHBondContact O-OG 3.14Å; V1886-P1986 HydrophobicContact CG1-CG 3.93Å
1887	N	66.3	Low	64.1	Low	96 Å²	96	59 Å²	59	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-67.8	-33.5	175.4	-72.7	-24.9	0	0	0	113.1	Q1883 T1884 T1885 S1890 C1891	Q1883-N1887 PolarHBondContact O-N 3.13Å; Q1883-N1887 PolarHBondContact O-ND2 3.08Å; Q1883-N1887 VanDerWaalsContact O-ND2 3.08Å; T1884-N1887 PolarHBondContact O-N 3.23Å; T1885-N1887 VanDerWaalsContact C-N 3.25Å; T1885-N1887 PolarHBondContact O-N 3.21Å; T1885-N1887 VanDerWaalsContact O-N 3.14Å; N1887-S1890 PolarHBondContact O-N 3.2Å; N1887-C1891 VanDerWaalsContact O-CB 3.3Å; N1887-C1891 WeakPolarHBondContact O-CB 3.38Å; N1887-C1891 PolarHBondContact O-N 3.15Å; N1887-C1891 PolarHBondContact O-SG 3.2Å; N1887-C1891 VanDerWaalsContact O-SG 3.36Å
1888	Q	74.2	Confident	66.3	Low	44.2 Å²	44.2	59.4 Å²	59.4	21%	0.207	32%	0.321	C	S	.	.	H	α-helix	trans	-66.8	-45.3	178.4	-69.7	163.2	21.4	0	0	112	T1863 T1884 T1885 V1886 S1890 C1891 L1892	T1863-Q1888 HydrophobicContact CG2-CB 3.98Å; T1884-Q1888 VanDerWaalsContact O-CG 3.25Å; T1884-Q1888 WeakPolarHBondContact O-CG 3.36Å; T1884-Q1888 PolarHBondContact O-N 3.18Å; T1884-Q1888 VanDerWaalsContact O-N 3.12Å; T1884-Q1888 PolarHBondContact O-NE2 3.09Å; T1885-Q1888 WeakPolarHBondContact O-CA 3.25Å; T1885-Q1888 WeakPolarHBondContact O-CB 3.38Å; T1885-Q1888 PolarHBondContact O-N 3.01Å; V1886-Q1888 PolarHBondContact O-N 3.03Å; Q1888-S1890 VanDerWaalsContact C-N 3.34Å; Q1888-S1890 PolarHBondContact O-N 2.98Å; Q1888-C1891 WeakPolarHBondContact O-CB 3.4Å; Q1888-C1891 PolarHBondContact O-N 3.27Å; Q1888-L1892 WeakPolarHBondContact O-CB 3.5Å; Q1888-L1892 PolarHBondContact O-N 3.34Å; Q1888-L1892 VanDerWaalsContact O-N 3.15Å
1889	W	80.1	Confident	68.5	Low	3.2 Å²	3.2	54.3 Å²	54.3	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-41.8	175.6	-44.5	121.8	0	0	0	111.3	N1712 G1714 T1885 V1886 C1891 L1892 I1893 S1932 L1981 L1984 I1985	N1712-W1889 WeakPolarHBondContact O-CH2 3.35Å; G1714-W1889 VanDerWaalsContact CA-CZ3 3.46Å; T1885-W1889 PolarHBondContact O-N 3.08Å; T1885-W1889 PolarHBondContact O-NE1 3.21Å; T1885-W1889 VanDerWaalsContact O-NE1 3.15Å; V1886-W1889 PolarHBondContact O-N 3.35Å; W1889-C1891 VanDerWaalsContact C-N 3.33Å; W1889-C1891 PolarHBondContact O-N 3.26Å; W1889-L1892 HydrophobicContact CE3-CD2 4.36Å; W1889-L1892 HydrophobicContact CZ3-CD2 4.47Å; W1889-L1892 VanDerWaalsContact O-CB 3.26Å; W1889-L1892 WeakPolarHBondContact O-CB 3.36Å; W1889-L1892 PolarHBondContact O-N 3.26Å; W1889-L1892 VanDerWaalsContact O-N 3.11Å; W1889-I1893 WeakPolarHBondContact O-CG1 3.36Å; W1889-I1893 PolarHBondContact O-N 3.21Å; W1889-I1893 VanDerWaalsContact O-N 3.13Å; W1889-S1932 VanDerWaalsContact CH2-CB 3.43Å; W1889-S1932 WeakPolarHBondContact CH2-OG 3.35Å; W1889-S1932 WeakPolarHBondContact CZ2-OG 3.38Å; W1889-S1932 VanDerWaalsContact CZ3-CB 3.44Å; W1889-S1932 WeakPolarHBondContact CZ3-OG 3.37Å; W1889-L1981 HydrophobicContact CD2-CD1 3.93Å; W1889-L1981 HydrophobicContact CE3-CD1 3.69Å; W1889-L1981 HydrophobicContact CE3-CG 4.37Å; W1889-L1981 HydrophobicContact CG-CD1 4.45Å; W1889-L1981 HydrophobicContact CH2-CD1 4.47Å; W1889-L1981 HydrophobicContact CZ3-CD1 4Å; W1889-L1984 VanDerWaalsContact CD1-O 3.31Å; W1889-L1984 HydrophobicContact CD2-CB 4.38Å; W1889-L1984 HydrophobicContact CD2-CD1 4.48Å; W1889-L1984 HydrophobicContact CG-CB 4.29Å; W1889-L1984 HydrophobicContact CH2-CD1 4.36Å; W1889-L1984 HydrophobicContact CZ2-CD1 3.9Å; W1889-I1985 HydrophobicContact CB-CG1 4.11Å
1890	S	76.3	Confident	70.7	Confident	18 Å²	18	47.4 Å²	47.4	13%	0.126	25%	0.25	C	S	.	.	H	α-helix	trans	-60.4	-40.1	176.1	-57.2	0	0	0	0	112.5	V1886 N1887 Q1888 L1892 K1894 L1989	V1886-S1890 WeakPolarHBondContact O-CB 3.3Å; V1886-S1890 PolarHBondContact O-N 3.04Å; V1886-S1890 VanDerWaalsContact O-N 3.15Å; V1886-S1890 PolarHBondContact O-OG 3.14Å; N1887-S1890 PolarHBondContact O-N 3.2Å; Q1888-S1890 VanDerWaalsContact C-N 3.34Å; Q1888-S1890 PolarHBondContact O-N 2.98Å; S1890-L1892 VanDerWaalsContact C-N 3.33Å; S1890-K1894 WeakPolarHBondContact O-CB 3.41Å; S1890-K1894 VanDerWaalsContact O-CG 3.31Å; S1890-K1894 WeakPolarHBondContact O-CG 3.42Å; S1890-K1894 PolarHBondContact O-N 3.2Å; S1890-K1894 VanDerWaalsContact O-N 3.17Å; S1890-L1989 VanDerWaalsContact OG-CD1 3.32Å; S1890-L1989 WeakPolarHBondContact OG-CD1 3.37Å
1891	C	77.6	Confident	72.7	Confident	23.8 Å²	23.8	42.9 Å²	42.9	16%	0.161	23%	0.233	C	C	.	.	H	α-helix	trans	-66.8	-37.4	173.6	-85.1	0	0	0	0	112.3	L1847 N1887 Q1888 W1889 I1893 K1894 F1895	L1847-C1891 HydrophobicContact CD1-CB 4.49Å; L1847-C1891 HydrophobicContact CD2-CB 4.37Å; L1847-C1891 WeakPolarHBondContact CD2-O 3.37Å; N1887-C1891 VanDerWaalsContact O-CB 3.3Å; N1887-C1891 WeakPolarHBondContact O-CB 3.38Å; N1887-C1891 PolarHBondContact O-N 3.15Å; N1887-C1891 PolarHBondContact O-SG 3.2Å; N1887-C1891 VanDerWaalsContact O-SG 3.36Å; Q1888-C1891 WeakPolarHBondContact O-CB 3.4Å; Q1888-C1891 PolarHBondContact O-N 3.27Å; W1889-C1891 VanDerWaalsContact C-N 3.33Å; W1889-C1891 PolarHBondContact O-N 3.26Å; C1891-I1893 PolarHBondContact O-N 3.43Å; C1891-K1894 PolarHBondContact O-N 3.2Å; C1891-F1895 WeakPolarHBondContact O-CB 3.4Å; C1891-F1895 PolarHBondContact O-N 2.97Å
1892	L	84.4	Confident	74.7	Confident	0.8 Å²	0.8	41.7 Å²	41.7	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-42.1	179.1	-160.5	86.8	0	0	0	112	V1716 L1849 T1863 Q1888 W1889 S1890 I1896 L1930 L1981	V1716-L1892 HydrophobicContact CG2-CD1 3.48Å; V1716-L1892 VanDerWaalsContact CG2-CD1 3.46Å; V1716-L1892 HydrophobicContact CG2-CD2 4.11Å; V1716-L1892 HydrophobicContact CG2-CG 3.53Å; V1716-L1892 VanDerWaalsContact CG2-CG 3.44Å; L1849-L1892 HydrophobicContact CD2-CD1 4.15Å; T1863-L1892 HydrophobicContact CG2-CB 4.39Å; T1863-L1892 HydrophobicContact CG2-CD1 3.81Å; T1863-L1892 HydrophobicContact CG2-CD2 4.38Å; T1863-L1892 HydrophobicContact CG2-CG 4.46Å; Q1888-L1892 WeakPolarHBondContact O-CB 3.5Å; Q1888-L1892 PolarHBondContact O-N 3.34Å; Q1888-L1892 VanDerWaalsContact O-N 3.15Å; W1889-L1892 HydrophobicContact CE3-CD2 4.36Å; W1889-L1892 HydrophobicContact CZ3-CD2 4.47Å; W1889-L1892 VanDerWaalsContact O-CB 3.26Å; W1889-L1892 WeakPolarHBondContact O-CB 3.36Å; W1889-L1892 PolarHBondContact O-N 3.26Å; W1889-L1892 VanDerWaalsContact O-N 3.11Å; S1890-L1892 VanDerWaalsContact C-N 3.33Å; L1892-I1896 HydrophobicContact CD2-CD1 4.3Å; L1892-I1896 WeakPolarHBondContact O-CD1 3.18Å; L1892-I1896 WeakPolarHBondContact O-CG1 3.22Å; L1892-I1896 PolarHBondContact O-N 3.14Å; L1892-L1930 HydrophobicContact CD2-CB 4.47Å; L1892-L1930 HydrophobicContact CD2-CD2 3.9Å; L1892-L1930 VanDerWaalsContact CD2-CD2 3.46Å; L1892-L1930 HydrophobicContact CD2-CG 3.85Å; L1892-L1930 HydrophobicContact CG-CD2 4.16Å; L1892-L1981 HydrophobicContact CD2-CD1 4.12Å; L1892-L1981 HydrophobicContact CD2-CD2 4.04Å
1893	I	82.8	Confident	76.7	Confident	29 Å²	29	38 Å²	38	15%	0.149	19%	0.194	C	C	.	.	H	α-helix	trans	-68.4	-50.9	176.4	-58.1	163.2	0	0	0	110.6	W1889 C1891 F1895 I1896 E1897 I1985 L1989 L2014	W1889-I1893 WeakPolarHBondContact O-CG1 3.36Å; W1889-I1893 PolarHBondContact O-N 3.21Å; W1889-I1893 VanDerWaalsContact O-N 3.13Å; C1891-I1893 PolarHBondContact O-N 3.43Å; I1893-F1895 PolarHBondContact O-N 3.18Å; I1893-F1895 VanDerWaalsContact O-N 3.15Å; I1893-I1896 PolarHBondContact O-N 3.18Å; I1893-E1897 PolarHBondContact O-N 3.18Å; I1893-I1985 HydrophobicContact CD1-CB 4.49Å; I1893-I1985 HydrophobicContact CD1-CD1 3.64Å; I1893-I1985 HydrophobicContact CD1-CG1 3.89Å; I1893-I1985 HydrophobicContact CD1-CG2 3.83Å; I1893-I1985 HydrophobicContact CG1-CD1 4.29Å; I1893-L1989 HydrophobicContact CD1-CD1 4.3Å; I1893-L2014 HydrophobicContact CG2-CD1 4.04Å; I1893-L2014 HydrophobicContact CG2-CD2 4.33Å
1894	K	82.5	Confident	78.4	Confident	86 Å²	86	33.2 Å²	33.2	37%	0.374	17%	0.173	S	C	.	.	H	α-helix	trans	-58.3	-29.4	179.3	-74.5	178.7	176.5	-174.5	0	113	S1890 C1891 R1898	S1890-K1894 WeakPolarHBondContact O-CB 3.41Å; S1890-K1894 VanDerWaalsContact O-CG 3.31Å; S1890-K1894 WeakPolarHBondContact O-CG 3.42Å; S1890-K1894 PolarHBondContact O-N 3.2Å; S1890-K1894 VanDerWaalsContact O-N 3.17Å; C1891-K1894 PolarHBondContact O-N 3.2Å; K1894-R1898 WeakPolarHBondContact O-CD 3.38Å; K1894-R1898 VanDerWaalsContact O-CG 3.25Å; K1894-R1898 WeakPolarHBondContact O-CG 3.43Å; K1894-R1898 PolarHBondContact O-N 3.08Å
1895	F	87.1	Confident	79.6	Confident	0.6 Å²	0.6	32.1 Å²	32.1	0%	0.003	16%	0.162	C	C	.	.	H	α-helix	trans	-65.4	-51.9	171.7	175.4	-117.1	0	0	0	111.7	V1716 I1718 V1782 L1785 A1786 L1847 L1849 Y1861 C1891 I1893 E1897 R1898 V1899	V1716-F1895 HydrophobicContact CG2-CD1 4.45Å; I1718-F1895 HydrophobicContact CD1-CE1 3.87Å; I1718-F1895 HydrophobicContact CD1-CZ 4.45Å; V1782-F1895 HydrophobicContact CG1-CE1 4.48Å; V1782-F1895 HydrophobicContact CG1-CE2 4.04Å; V1782-F1895 HydrophobicContact CG1-CZ 3.55Å; L1785-F1895 HydrophobicContact CB-CD2 4.3Å; L1785-F1895 HydrophobicContact CB-CE2 4.02Å; A1786-F1895 HydrophobicContact CB-CE2 3.82Å; A1786-F1895 HydrophobicContact CB-CZ 4.1Å; L1847-F1895 HydrophobicContact CD2-CB 3.74Å; L1847-F1895 HydrophobicContact CD2-CD2 4.32Å; L1847-F1895 HydrophobicContact CD2-CG 4.37Å; L1849-F1895 HydrophobicContact CD1-CB 3.56Å; L1849-F1895 HydrophobicContact CD1-CD1 3.65Å; L1849-F1895 HydrophobicContact CD1-CD2 3.5Å; L1849-F1895 VanDerWaalsContact CD1-CD2 3.49Å; L1849-F1895 HydrophobicContact CD1-CE1 4.14Å; L1849-F1895 HydrophobicContact CD1-CE2 4.02Å; L1849-F1895 HydrophobicContact CD1-CG 3.28Å; L1849-F1895 HydrophobicContact CD1-CZ 4.3Å; Y1861-F1895 HydrophobicContact CD1-CZ 4.16Å; Y1861-F1895 AromaticContact CD2-CE1 3.6Å; Y1861-F1895 HydrophobicContact CD2-CE1 3.6Å; Y1861-F1895 AromaticContact CD2-CZ 3.65Å; Y1861-F1895 HydrophobicContact CD2-CZ 3.65Å; 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 3.81Å; Y1861-F1895 HydrophobicContact CG-CE1 3.81Å; Y1861-F1895 AromaticContact CG-CZ 3.8Å; Y1861-F1895 HydrophobicContact CG-CZ 3.8Å; C1891-F1895 WeakPolarHBondContact O-CB 3.4Å; C1891-F1895 PolarHBondContact O-N 2.97Å; I1893-F1895 PolarHBondContact O-N 3.18Å; I1893-F1895 VanDerWaalsContact O-N 3.15Å; F1895-E1897 VanDerWaalsContact C-N 3.33Å; F1895-E1897 PolarHBondContact O-N 3.34Å; F1895-R1898 WeakPolarHBondContact O-CB 3.41Å; F1895-R1898 PolarHBondContact O-N 3.03Å; F1895-R1898 VanDerWaalsContact O-N 3.15Å; F1895-V1899 HydrophobicContact CD1-CG2 4.49Å; F1895-V1899 HydrophobicContact CD2-CG2 4.25Å; F1895-V1899 HydrophobicContact CE1-CG2 4.28Å; F1895-V1899 HydrophobicContact CE2-CG2 3.97Å; F1895-V1899 HydrophobicContact CZ-CG2 4.01Å; F1895-V1899 WeakPolarHBondContact O-CG2 3.27Å; F1895-V1899 PolarHBondContact O-N 3.08Å
1896	I	87.3	Confident	80.8	Confident	3.6 Å²	3.6	31.3 Å²	31.3	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-64.2	-40.8	-178.2	-63.5	167.3	0	0	0	111.4	V1716 L1892 I1893 R1898 V1899 I1900 A1928 L1930 I1975	V1716-I1896 HydrophobicContact CB-CD1 4.35Å; V1716-I1896 HydrophobicContact CG1-CD1 3.56Å; V1716-I1896 VanDerWaalsContact CG1-CD1 3.49Å; V1716-I1896 HydrophobicContact CG1-CG1 3.86Å; V1716-I1896 HydrophobicContact CG2-CD1 3.79Å; V1716-I1896 HydrophobicContact CG2-CG1 4.16Å; L1892-I1896 HydrophobicContact CD2-CD1 4.3Å; L1892-I1896 WeakPolarHBondContact O-CD1 3.18Å; L1892-I1896 WeakPolarHBondContact O-CG1 3.22Å; L1892-I1896 PolarHBondContact O-N 3.14Å; I1893-I1896 PolarHBondContact O-N 3.18Å; I1896-R1898 VanDerWaalsContact C-N 3.32Å; I1896-R1898 PolarHBondContact O-N 3.2Å; I1896-V1899 PolarHBondContact O-N 3.04Å; I1896-V1899 VanDerWaalsContact O-N 3.14Å; I1896-I1900 HydrophobicContact CG2-CD1 4.02Å; I1896-I1900 HydrophobicContact CG2-CG1 4.44Å; I1896-I1900 WeakPolarHBondContact O-CG1 3.29Å; I1896-I1900 PolarHBondContact O-N 3.16Å; I1896-A1928 HydrophobicContact CD1-CB 4.46Å; I1896-A1928 HydrophobicContact CG2-CB 4.19Å; I1896-L1930 HydrophobicContact CD1-CD1 3.61Å; I1896-L1930 VanDerWaalsContact CD1-CD1 3.45Å; I1896-L1930 HydrophobicContact CD1-CD2 3.6Å; I1896-L1930 VanDerWaalsContact CD1-CD2 3.4Å; I1896-L1930 HydrophobicContact CD1-CG 3.59Å; I1896-I1975 HydrophobicContact CG2-CD1 3.85Å; I1896-I1975 HydrophobicContact CG2-CG1 4.04Å
1897	E	83	Confident	81.9	Confident	51 Å²	51	29.1 Å²	29.1	24%	0.238	14%	0.143	C	C	.	.	H	α-helix	trans	-54.4	-48.9	172.8	-175.9	178.5	-150.3	0	0	111	I1893 F1895 V1899 I1900 V1901 L2013 L2014	I1893-E1897 PolarHBondContact O-N 3.18Å; F1895-E1897 VanDerWaalsContact C-N 3.33Å; F1895-E1897 PolarHBondContact O-N 3.34Å; E1897-V1899 PolarHBondContact O-N 3.05Å; E1897-I1900 PolarHBondContact O-N 3.26Å; E1897-V1901 VanDerWaalsContact O-CG2 3.3Å; E1897-V1901 WeakPolarHBondContact O-CG2 3.37Å; E1897-V1901 PolarHBondContact O-N 3.22Å; E1897-L2013 PolarHBondContact OE1-N 2.94Å; E1897-L2014 HydrophobicContact CB-CD2 4.39Å; E1897-L2014 HydrophobicContact CB-CG 4.38Å; E1897-L2014 HydrophobicContact CG-CD2 4.37Å; E1897-L2014 HydrophobicContact CG-CG 4.28Å; E1897-L2014 WeakPolarHBondContact OE1-CD1 3.27Å; E1897-L2014 WeakPolarHBondContact OE1-CG 3.4Å; E1897-L2014 PolarHBondContact OE1-N 2.75Å
1898	R	84.5	Confident	82.5	Confident	89.6 Å²	89.6	30.2 Å²	30.2	34%	0.338	15%	0.145	S	C	.	.	H	α-helix	trans	-64.2	-37.1	175.6	-71.3	173	175.5	-146.1	-3.6	113.1	L1785 K1894 F1895 I1896 V1901 I1902	L1785-R1898 HydrophobicContact CD1-CB 3.78Å; L1785-R1898 HydrophobicContact CD2-CB 4.32Å; K1894-R1898 WeakPolarHBondContact O-CD 3.38Å; K1894-R1898 VanDerWaalsContact O-CG 3.25Å; K1894-R1898 WeakPolarHBondContact O-CG 3.43Å; K1894-R1898 PolarHBondContact O-N 3.08Å; F1895-R1898 WeakPolarHBondContact O-CB 3.41Å; F1895-R1898 PolarHBondContact O-N 3.03Å; F1895-R1898 VanDerWaalsContact O-N 3.15Å; I1896-R1898 VanDerWaalsContact C-N 3.32Å; I1896-R1898 PolarHBondContact O-N 3.2Å; R1898-V1901 PolarHBondContact O-N 3.1Å; R1898-I1902 WeakPolarHBondContact O-CG1 3.34Å; R1898-I1902 PolarHBondContact O-N 3.05Å
1899	V	86.6	Confident	82.4	Confident	0.4 Å²	0.4	31.3 Å²	31.3	0%	0.002	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-43.3	177.1	171.7	0	0	0	0	111.4	I1718 F1720 V1782 L1785 F1895 I1896 E1897 I1902 C1903 V1926	I1718-V1899 HydrophobicContact CD1-CG1 4.32Å; I1718-V1899 HydrophobicContact CD1-CG2 4.41Å; F1720-V1899 HydrophobicContact CE1-CG1 4.44Å; V1782-V1899 HydrophobicContact CB-CG2 4.43Å; V1782-V1899 HydrophobicContact CG1-CG2 3.7Å; V1782-V1899 HydrophobicContact CG2-CB 4.49Å; V1782-V1899 HydrophobicContact CG2-CG1 3.91Å; V1782-V1899 HydrophobicContact CG2-CG2 4.01Å; L1785-V1899 HydrophobicContact CD1-CG2 3.99Å; F1895-V1899 HydrophobicContact CD1-CG2 4.49Å; F1895-V1899 HydrophobicContact CD2-CG2 4.25Å; F1895-V1899 HydrophobicContact CE1-CG2 4.28Å; F1895-V1899 HydrophobicContact CE2-CG2 3.97Å; F1895-V1899 HydrophobicContact CZ-CG2 4.01Å; F1895-V1899 WeakPolarHBondContact O-CG2 3.27Å; F1895-V1899 PolarHBondContact O-N 3.08Å; I1896-V1899 PolarHBondContact O-N 3.04Å; I1896-V1899 VanDerWaalsContact O-N 3.14Å; E1897-V1899 PolarHBondContact O-N 3.05Å; V1899-I1902 PolarHBondContact O-N 3.15Å; V1899-C1903 PolarHBondContact O-N 3.21Å; V1899-C1903 PolarHBondContact O-SG 3.17Å; V1899-V1926 HydrophobicContact CG1-CG1 4.47Å
1900	I	86	Confident	81.8	Confident	2.4 Å²	2.4	33.3 Å²	33.3	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-64.2	-47.4	176.5	-68	172.3	0	0	0	110	I1896 E1897 I1902 C1903 D1904 V1926 H1973 I1975 Y2017	I1896-I1900 HydrophobicContact CG2-CD1 4.02Å; I1896-I1900 HydrophobicContact CG2-CG1 4.44Å; I1896-I1900 WeakPolarHBondContact O-CG1 3.29Å; I1896-I1900 PolarHBondContact O-N 3.16Å; E1897-I1900 PolarHBondContact O-N 3.26Å; I1900-I1902 VanDerWaalsContact C-N 3.3Å; I1900-I1902 PolarHBondContact O-N 3.17Å; I1900-C1903 CarbonylContact O-C 3.58Å; I1900-C1903 WeakPolarHBondContact O-CA 3.42Å; I1900-C1903 PolarHBondContact O-N 3.12Å; I1900-C1903 VanDerWaalsContact O-N 3.09Å; I1900-D1904 PolarHBondContact O-N 3.17Å; I1900-V1926 HydrophobicContact CG1-CB 4.42Å; I1900-V1926 HydrophobicContact CG1-CG1 4.44Å; I1900-H1973 HydrophobicContact CD1-CB 4.37Å; I1900-H1973 HydrophobicContact CG1-CB 4.43Å; I1900-H1973 HydrophobicContact CG2-CB 4.18Å; I1900-I1975 HydrophobicContact CD1-CD1 3.65Å; I1900-I1975 HydrophobicContact CD1-CG1 3.95Å; I1900-Y2017 HydrophobicContact CG2-CD1 3.8Å; I1900-Y2017 HydrophobicContact CG2-CD2 4.34Å; I1900-Y2017 HydrophobicContact CG2-CE1 3.39Å; I1900-Y2017 VanDerWaalsContact CG2-CE1 3.48Å; I1900-Y2017 HydrophobicContact CG2-CE2 4.07Å; I1900-Y2017 HydrophobicContact CG2-CG 4.3Å; I1900-Y2017 VanDerWaalsContact CG2-CZ 3.45Å
1901	V	84.6	Confident	81.2	Confident	35.4 Å²	35.4	38.9 Å²	38.9	22%	0.215	18%	0.184	C	C	.	.	H	α-helix	trans	-56.9	-40.5	176.4	169.9	0	0	0	0	112.2	E1897 R1898 D1904 Q1905 L2013	E1897-V1901 VanDerWaalsContact O-CG2 3.3Å; E1897-V1901 WeakPolarHBondContact O-CG2 3.37Å; E1897-V1901 PolarHBondContact O-N 3.22Å; R1898-V1901 PolarHBondContact O-N 3.1Å; V1901-D1904 PolarHBondContact O-N 3.13Å; V1901-Q1905 HydrophobicContact CG1-CG 4.47Å; V1901-Q1905 WeakPolarHBondContact O-CB 3.39Å; V1901-Q1905 VanDerWaalsContact O-CG 3.26Å; V1901-Q1905 WeakPolarHBondContact O-CG 3.4Å; V1901-Q1905 PolarHBondContact O-N 3.2Å; V1901-L2013 HydrophobicContact CG2-CD1 4.01Å
1902	I	83.8	Confident	80.3	Confident	22.6 Å²	22.6	42.3 Å²	42.3	12%	0.116	21%	0.208	C	C	.	.	H	α-helix	trans	-64.7	-43.5	173.5	-74.8	-171.6	0	0	0	111.7	L1781 L1785 R1898 V1899 I1900 D1904 Q1905 I1906	L1781-I1902 HydrophobicContact CB-CD1 4.44Å; L1781-I1902 HydrophobicContact CB-CG2 4.27Å; L1781-I1902 HydrophobicContact CD1-CG2 4.06Å; L1785-I1902 HydrophobicContact CD1-CD1 3.6Å; L1785-I1902 HydrophobicContact CD1-CG1 4.38Å; L1785-I1902 HydrophobicContact CD2-CD1 4.14Å; L1785-I1902 HydrophobicContact CG-CD1 3.85Å; R1898-I1902 WeakPolarHBondContact O-CG1 3.34Å; R1898-I1902 PolarHBondContact O-N 3.05Å; V1899-I1902 PolarHBondContact O-N 3.15Å; I1900-I1902 VanDerWaalsContact C-N 3.3Å; I1900-I1902 PolarHBondContact O-N 3.17Å; I1902-D1904 VanDerWaalsContact C-N 3.33Å; I1902-D1904 PolarHBondContact O-N 2.85Å; I1902-Q1905 PolarHBondContact O-N 3.1Å; I1902-I1906 HydrophobicContact CG2-CD1 3.94Å; I1902-I1906 VanDerWaalsContact O-CG1 3.31Å; I1902-I1906 WeakPolarHBondContact O-CG1 3.43Å; I1902-I1906 PolarHBondContact O-N 3.15Å
1903	C	84.8	Confident	78.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-39	179.6	-64.5	0	0	0	0	111.6	V1899 I1900 I1906 N1907 V1926	V1899-C1903 PolarHBondContact O-N 3.21Å; V1899-C1903 PolarHBondContact O-SG 3.17Å; I1900-C1903 CarbonylContact O-C 3.58Å; I1900-C1903 WeakPolarHBondContact O-CA 3.42Å; I1900-C1903 PolarHBondContact O-N 3.12Å; I1900-C1903 VanDerWaalsContact O-N 3.09Å; C1903-I1906 WeakPolarHBondContact O-CB 3.35Å; C1903-I1906 PolarHBondContact O-N 3.15Å; C1903-N1907 WeakPolarHBondContact O-CB 3.28Å; C1903-N1907 VanDerWaalsContact O-CG 3.22Å; C1903-N1907 PolarHBondContact O-N 2.93Å; C1903-N1907 PolarHBondContact O-ND2 3.03Å; C1903-V1926 HydrophobicContact CB-CG2 3.82Å; C1903-V1926 WeakPolarHBondContact SG-CG2 3.33Å
1904	D	83.8	Confident	77	Confident	36.6 Å²	36.6	47.8 Å²	47.8	20%	0.196	25%	0.25	C	C	.	.	H	α-helix	trans	-68.8	-37.2	173.8	-95.3	-36.7	0	0	0	113	I1900 V1901 I1902 I1906 N1907 Q1908 H1973 Y2017	I1900-D1904 PolarHBondContact O-N 3.17Å; V1901-D1904 PolarHBondContact O-N 3.13Å; I1902-D1904 VanDerWaalsContact C-N 3.33Å; I1902-D1904 PolarHBondContact O-N 2.85Å; D1904-I1906 VanDerWaalsContact C-N 3.28Å; D1904-I1906 PolarHBondContact O-N 3.14Å; D1904-N1907 CarbonylContact O-C 3.54Å; D1904-N1907 PolarHBondContact O-N 3.18Å; D1904-N1907 PolarHBondContact OD1-ND2 3.47Å; D1904-Q1908 WeakPolarHBondContact O-CB 3.33Å; D1904-Q1908 VanDerWaalsContact O-CG 3.23Å; D1904-Q1908 WeakPolarHBondContact O-CG 3.36Å; D1904-Q1908 PolarHBondContact O-N 3.16Å; D1904-H1973 IonicContact OD1-CD2 3.16Å; D1904-H1973 IonicContact OD1-CE1 3.99Å; D1904-H1973 IonicContact OD1-NE2 3.08Å; D1904-H1973 PolarHBondContact OD1-NE2 3Å; D1904-H1973 IonicContact OD2-CD2 2.87Å; D1904-H1973 PolarHBondContact OD2-CD2 3.46Å; D1904-H1973 IonicContact OD2-NE2 3.32Å; D1904-H1973 PolarHBondContact OD2-NE2 3.28Å; D1904-Y2017 WeakPolarHBondContact OD2-CE1 3.17Å; D1904-Y2017 PolarHBondContact OD2-OH 3.1Å
1905	Q	81.2	Confident	75.5	Confident	45 Å²	45	50.5 Å²	50.5	21%	0.21	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-36.4	170.9	-74.8	173	5.2	0	0	112.2	L1830 V1901 I1902 Q1908 K1909	L1830-Q1905 HydrophobicContact CD2-CB 4Å; L1830-Q1905 HydrophobicContact CD2-CG 4.31Å; L1830-Q1905 VanDerWaalsContact CD2-OE1 3.27Å; V1901-Q1905 HydrophobicContact CG1-CG 4.47Å; V1901-Q1905 WeakPolarHBondContact O-CB 3.39Å; V1901-Q1905 VanDerWaalsContact O-CG 3.26Å; V1901-Q1905 WeakPolarHBondContact O-CG 3.4Å; V1901-Q1905 PolarHBondContact O-N 3.2Å; I1902-Q1905 PolarHBondContact O-N 3.1Å; Q1905-Q1908 PolarHBondContact O-N 3.12Å; Q1905-K1909 WeakPolarHBondContact O-CB 3.37Å; Q1905-K1909 VanDerWaalsContact O-CG 3.32Å; Q1905-K1909 WeakPolarHBondContact O-CG 3.39Å; Q1905-K1909 PolarHBondContact O-N 3.16Å; Q1905-K1909 VanDerWaalsContact O-N 3.12Å
1906	I	81.2	Confident	73.7	Confident	20.2 Å²	20.2	55.4 Å²	55.4	10%	0.104	31%	0.31	C	S	.	.	H	α-helix	trans	-67	-48	172.4	-66.6	165.7	0	0	0	110.1	V1778 L1781 F1827 L1830 I1902 C1903 D1904 Q1908 K1909 T1910 I1924	V1778-I1906 HydrophobicContact CG2-CD1 4.04Å; L1781-I1906 HydrophobicContact CD1-CD1 3.94Å; F1827-I1906 HydrophobicContact CE1-CD1 3.83Å; F1827-I1906 HydrophobicContact CE1-CG1 3.93Å; F1827-I1906 HydrophobicContact CZ-CD1 4.33Å; F1827-I1906 HydrophobicContact CZ-CG1 4.12Å; L1830-I1906 HydrophobicContact CD1-CG1 4.01Å; I1902-I1906 HydrophobicContact CG2-CD1 3.94Å; I1902-I1906 VanDerWaalsContact O-CG1 3.31Å; I1902-I1906 WeakPolarHBondContact O-CG1 3.43Å; I1902-I1906 PolarHBondContact O-N 3.15Å; C1903-I1906 WeakPolarHBondContact O-CB 3.35Å; C1903-I1906 PolarHBondContact O-N 3.15Å; D1904-I1906 VanDerWaalsContact C-N 3.28Å; D1904-I1906 PolarHBondContact O-N 3.14Å; I1906-Q1908 VanDerWaalsContact C-N 3.27Å; I1906-Q1908 PolarHBondContact O-N 2.91Å; I1906-K1909 PolarHBondContact O-N 3.16Å; I1906-K1909 VanDerWaalsContact O-N 3.12Å; I1906-T1910 WeakPolarHBondContact O-CB 3.41Å; I1906-T1910 PolarHBondContact O-N 3.3Å; I1906-T1910 PolarHBondContact O-OG1 3.07Å; I1906-T1910 VanDerWaalsContact O-OG1 3.1Å; I1906-I1924 HydrophobicContact CG2-CD1 3.95Å
1907	N	82.2	Confident	71.7	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.011	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-28.2	177.1	-69.4	-30	0	0	0	113.3	C1903 D1904 T1910 K1911 I1924	C1903-N1907 WeakPolarHBondContact O-CB 3.28Å; C1903-N1907 VanDerWaalsContact O-CG 3.22Å; C1903-N1907 PolarHBondContact O-N 2.93Å; C1903-N1907 PolarHBondContact O-ND2 3.03Å; D1904-N1907 CarbonylContact O-C 3.54Å; D1904-N1907 PolarHBondContact O-N 3.18Å; D1904-N1907 PolarHBondContact OD1-ND2 3.47Å; N1907-T1910 PolarHBondContact O-OG1 3.43Å; N1907-K1911 VanDerWaalsContact O-CD 3.25Å; N1907-K1911 WeakPolarHBondContact O-CD 3.38Å; N1907-K1911 VanDerWaalsContact O-CE 3.27Å; N1907-K1911 WeakPolarHBondContact O-CE 3.36Å; N1907-K1911 VanDerWaalsContact O-CG 3.26Å; N1907-K1911 WeakPolarHBondContact O-CG 3.4Å; N1907-I1924 PolarHBondContact ND2-O 3.24Å; N1907-I1924 PolarHBondContact OD1-N 3.2Å; N1907-I1924 PolarHBondContact OD1-O 3.32Å
1908	Q	79.2	Confident	69.6	Low	119.2 Å²	119.2	62.7 Å²	62.7	56%	0.557	37%	0.367	S	S	*	.	H	α-helix	trans	-78.9	-43.3	173.9	-72.6	172.1	28	0	0	111.8	D1904 Q1905 I1906 T1910 K1911 S1912	D1904-Q1908 WeakPolarHBondContact O-CB 3.33Å; D1904-Q1908 VanDerWaalsContact O-CG 3.23Å; D1904-Q1908 WeakPolarHBondContact O-CG 3.36Å; D1904-Q1908 PolarHBondContact O-N 3.16Å; Q1905-Q1908 PolarHBondContact O-N 3.12Å; I1906-Q1908 VanDerWaalsContact C-N 3.27Å; I1906-Q1908 PolarHBondContact O-N 2.91Å; Q1908-T1910 VanDerWaalsContact C-N 3.32Å; Q1908-T1910 PolarHBondContact O-N 3.01Å; Q1908-K1911 WeakPolarHBondContact O-CA 3.4Å; Q1908-K1911 WeakPolarHBondContact O-CB 3.39Å; Q1908-K1911 PolarHBondContact O-N 3.02Å; Q1908-S1912 PolarHBondContact O-N 3.14Å; Q1908-S1912 VanDerWaalsContact O-N 3.14Å; Q1908-S1912 PolarHBondContact O-OG 3.01Å
1909	K	71.3	Confident	67.7	Low	68.6 Å²	68.6	63.1 Å²	63.1	30%	0.298	38%	0.384	S	S	.	.	H	α-helix	trans	-65.8	-33.5	178.2	-76.4	180	177.1	-156.4	0	112.7	L1826 S1829 L1830 Q1905 I1906 K1911 S1912 S1913	L1826-K1909 HydrophobicContact CD2-CB 4.08Å; L1826-K1909 HydrophobicContact CD2-CD 4.28Å; L1826-K1909 HydrophobicContact CD2-CG 4.24Å; L1826-K1909 VanDerWaalsContact CD2-NZ 3.29Å; L1826-K1909 HydrophobicContact CG-CD 4.26Å; L1826-K1909 HydrophobicContact CG-CG 4.48Å; L1826-K1909 PolarHBondContact O-NZ 3.17Å; S1829-K1909 PolarHBondContact OG-NZ 3.11Å; L1830-K1909 HydrophobicContact CD1-CD 4.3Å; L1830-K1909 HydrophobicContact CD2-CD 4.05Å; L1830-K1909 VanDerWaalsContact CD2-CE 3.44Å; L1830-K1909 VanDerWaalsContact CD2-NZ 3.34Å; L1830-K1909 HydrophobicContact CG-CD 4Å; Q1905-K1909 WeakPolarHBondContact O-CB 3.37Å; Q1905-K1909 VanDerWaalsContact O-CG 3.32Å; Q1905-K1909 WeakPolarHBondContact O-CG 3.39Å; Q1905-K1909 PolarHBondContact O-N 3.16Å; Q1905-K1909 VanDerWaalsContact O-N 3.12Å; I1906-K1909 PolarHBondContact O-N 3.16Å; I1906-K1909 VanDerWaalsContact O-N 3.12Å; K1909-K1911 VanDerWaalsContact C-N 3.3Å; K1909-K1911 PolarHBondContact O-N 2.92Å; K1909-S1912 WeakPolarHBondContact CA-OG 3.38Å; K1909-S1912 PolarHBondContact O-N 3.21Å; K1909-S1912 PolarHBondContact O-OG 3.35Å; K1909-S1912 VanDerWaalsContact O-OG 3.05Å; K1909-S1913 WeakPolarHBondContact O-CB 3.44Å; K1909-S1913 PolarHBondContact O-N 3.13Å; K1909-S1913 VanDerWaalsContact O-N 3.13Å; K1909-S1913 PolarHBondContact O-OG 3.11Å
1910	T	66.8	Low	65.6	Low	44 Å²	44	65.4 Å²	65.4	27%	0.27	40%	0.399	S	S	.	.	H	α-helix	trans	-69.4	-15.8	171.7	-13.4	0	0	0	0	113.6	I1906 N1907 Q1908 S1913 S1921	I1906-T1910 WeakPolarHBondContact O-CB 3.41Å; I1906-T1910 PolarHBondContact O-N 3.3Å; I1906-T1910 PolarHBondContact O-OG1 3.07Å; I1906-T1910 VanDerWaalsContact O-OG1 3.1Å; N1907-T1910 PolarHBondContact O-OG1 3.43Å; Q1908-T1910 VanDerWaalsContact C-N 3.32Å; Q1908-T1910 PolarHBondContact O-N 3.01Å; T1910-S1913 PolarHBondContact O-OG 3.28Å; T1910-S1921 PolarHBondContact O-OG 3.49Å
1911	K	63.8	Low	64.1	Low	135.6 Å²	135.6	67.7 Å²	67.7	59%	0.59	42%	0.416	S	S	*	.	H	α-helix	trans	-93.5	-23.1	174.1	-68.1	167.7	-171.3	172.4	0	113.5	N1907 Q1908 K1909	N1907-K1911 VanDerWaalsContact O-CD 3.25Å; N1907-K1911 WeakPolarHBondContact O-CD 3.38Å; N1907-K1911 VanDerWaalsContact O-CE 3.27Å; N1907-K1911 WeakPolarHBondContact O-CE 3.36Å; N1907-K1911 VanDerWaalsContact O-CG 3.26Å; N1907-K1911 WeakPolarHBondContact O-CG 3.4Å; Q1908-K1911 WeakPolarHBondContact O-CA 3.4Å; Q1908-K1911 WeakPolarHBondContact O-CB 3.39Å; Q1908-K1911 PolarHBondContact O-N 3.02Å; K1909-K1911 VanDerWaalsContact C-N 3.3Å; K1909-K1911 PolarHBondContact O-N 2.92Å
1912	S	59.1	Low	63.2	Low	94.8 Å²	94.8	67.4 Å²	67.4	66%	0.663	41%	0.411	S	S	*	.	H	α-helix	trans	-98.9	-12.5	-177.9	55.2	0	0	0	0	114.5	Q1908 K1909 S1914	Q1908-S1912 PolarHBondContact O-N 3.14Å; Q1908-S1912 VanDerWaalsContact O-N 3.14Å; Q1908-S1912 PolarHBondContact O-OG 3.01Å; K1909-S1912 WeakPolarHBondContact CA-OG 3.38Å; K1909-S1912 PolarHBondContact O-N 3.21Å; K1909-S1912 PolarHBondContact O-OG 3.35Å; K1909-S1912 VanDerWaalsContact O-OG 3.05Å; S1912-S1914 PolarHBondContact O-N 3.14Å; S1912-S1914 VanDerWaalsContact O-N 3.15Å
1913	S	55.6	Low	62.7	Low	74.8 Å²	74.8	68.4 Å²	68.4	52%	0.523	42%	0.415	S	S	.	.	S	Bend	trans	-74	110.3	171.5	41.3	0	0	0	0	111.4	K1909 T1910	K1909-S1913 WeakPolarHBondContact O-CB 3.44Å; K1909-S1913 PolarHBondContact O-N 3.13Å; K1909-S1913 VanDerWaalsContact O-N 3.13Å; K1909-S1913 PolarHBondContact O-OG 3.11Å; T1910-S1913 PolarHBondContact O-OG 3.28Å
1914	S	42.5	Very low	62.5	Low	72 Å²	72	68.5 Å²	68.5	50%	0.503	42%	0.415	S	S	.	.			trans	-25	137.2	-179	-172.7	0	0	0	0	116.2	S1912 S1916	S1912-S1914 PolarHBondContact O-N 3.14Å; S1912-S1914 VanDerWaalsContact O-N 3.15Å; S1914-S1916 WeakPolarHBondContact CB-OG 3.49Å; S1914-S1916 PolarHBondContact O-N 3.08Å; S1914-S1916 PolarHBondContact OG-OG 3.06Å
1915	P	51.7	Low	62.5	Low	142.2 Å²	142.2	67.6 Å²	67.6	92%	0.923	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	25.3	-177.6	33.3	-39	0	0	0	114.9
1916	S	47.8	Very low	62.7	Low	102.4 Å²	102.4	65.6 Å²	65.6	72%	0.716	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-4.3	-172.1	54.5	0	0	0	0	114.7	S1914	S1914-S1916 WeakPolarHBondContact CB-OG 3.49Å; S1914-S1916 PolarHBondContact O-N 3.08Å; S1914-S1916 PolarHBondContact OG-OG 3.06Å
1917	S	46.3	Very low	62.9	Low	75 Å²	75	65.5 Å²	65.5	52%	0.524	40%	0.399	S	S	.	.	S	Bend	trans	-116.5	125.2	172.2	53.8	0	0	0	0	110.5	S1919	S1917-S1919 PolarHBondContact O-N 3.11Å
1918	S	39.5	Very low	63.1	Low	133.6 Å²	133.6	65.4 Å²	65.4	93%	0.934	40%	0.398	S	S	*	.			trans	-74.2	25.1	-170.1	55.4	0	0	0	0	115.6	C1920	S1918-C1920 PolarHBondContact O-N 3.17Å; S1918-C1920 VanDerWaalsContact O-N 3.12Å
1919	S	43.8	Very low	63.6	Low	98.6 Å²	98.6	59.7 Å²	59.7	69%	0.69	37%	0.372	S	S	*	.			trans	-80.8	107.6	176.9	-43.7	0	0	0	0	110	S1917 S1921	S1917-S1919 PolarHBondContact O-N 3.11Å; S1919-S1921 PolarHBondContact O-N 3.19Å
1920	C	43.3	Very low	64.4	Low	48.4 Å²	48.4	56.7 Å²	56.7	33%	0.327	36%	0.359	S	S	.	.			trans	-40.1	123.2	-177.4	178.7	0	0	0	0	113.3	S1725 S1918 R1922	S1725-C1920 PolarHBondContact O-SG 3.21Å; S1725-C1920 VanDerWaalsContact O-SG 3.42Å; S1918-C1920 PolarHBondContact O-N 3.17Å; S1918-C1920 VanDerWaalsContact O-N 3.12Å; C1920-R1922 VanDerWaalsContact C-N 3.31Å; C1920-R1922 HydrophobicContact CB-CG 4.28Å; C1920-R1922 PolarHBondContact O-N 2.98Å
1921	S	54.6	Low	65.5	Low	51.6 Å²	51.6	54.9 Å²	54.9	36%	0.361	35%	0.348	S	S	.	.			trans	-70.5	74.5	177.9	132.9	0	0	0	0	111.5	S1725 T1910 S1919	S1725-S1921 VanDerWaalsContact CB-O 3.3Å; S1725-S1921 WeakPolarHBondContact CB-O 3.36Å; S1725-S1921 WeakPolarHBondContact CB-OG 3.35Å; S1725-S1921 PolarHBondContact N-O 3.1Å; S1725-S1921 PolarHBondContact OG-O 3.29Å; S1725-S1921 PolarHBondContact OG-OG 3.43Å; T1910-S1921 PolarHBondContact O-OG 3.49Å; S1919-S1921 PolarHBondContact O-N 3.19Å
1922	R	64.4	Low	66.6	Low	28.4 Å²	28.4	48.6 Å²	48.6	11%	0.107	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	136.7	178.9	-58.8	-168.8	-179.1	104	0.4	110.6	V1722 I1723 E1767 L1774 C1920	V1722-R1922 HydrophobicContact CG1-CB 4.2Å; I1723-R1922 WeakPolarHBondContact O-CA 3.34Å; E1767-R1922 IonicContact OE1-CZ 3.47Å; E1767-R1922 VanDerWaalsContact OE1-CZ 3.32Å; E1767-R1922 IonicContact OE1-NE 2.97Å; E1767-R1922 PolarHBondContact OE1-NE 3.19Å; E1767-R1922 VanDerWaalsContact OE1-NE 3.16Å; E1767-R1922 IonicContact OE1-NH2 3.43Å; E1767-R1922 PolarHBondContact OE1-NH2 3.18Å; L1774-R1922 HydrophobicContact CD2-CB 4.02Å; C1920-R1922 VanDerWaalsContact C-N 3.31Å; C1920-R1922 HydrophobicContact CB-CG 4.28Å; C1920-R1922 PolarHBondContact O-N 2.98Å
1923	Q	74.2	Confident	67.9	Low	43.6 Å²	43.6	44.1 Å²	44.1	20%	0.204	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	140.5	177.6	-66.3	175.4	-3.4	0	0	109.3	I1723 Y1925	I1723-Q1923 PolarHBondContact N-O 3.16Å; I1723-Q1923 PolarHBondContact O-N 3.16Å; I1723-Q1923 VanDerWaalsContact O-N 3.16Å; Q1923-Y1925 HydrophobicContact CB-CD2 4.46Å; Q1923-Y1925 HydrophobicContact CB-CE2 3.62Å; Q1923-Y1925 PolarHBondContact OE1-OH 3.14Å; Q1923-Y1925 VanDerWaalsContact OE1-OH 3.08Å
1924	I	80.3	Confident	69.3	Low	1.6 Å²	1.6	43.5 Å²	43.5	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.1	-172.4	-47.5	-177.3	0	0	0	108.8	F1720 V1722 L1774 V1778 I1906 N1907 H1973	F1720-I1924 HydrophobicContact CD1-CG2 4.41Å; V1722-I1924 HydrophobicContact CG2-CG2 4.43Å; L1774-I1924 HydrophobicContact CD1-CD1 3.93Å; L1774-I1924 HydrophobicContact CD2-CD1 3.85Å; L1774-I1924 HydrophobicContact CD2-CG1 4.25Å; L1774-I1924 HydrophobicContact CG-CD1 3.75Å; V1778-I1924 HydrophobicContact CG2-CD1 3.59Å; I1906-I1924 HydrophobicContact CG2-CD1 3.95Å; N1907-I1924 PolarHBondContact ND2-O 3.24Å; N1907-I1924 PolarHBondContact OD1-N 3.2Å; N1907-I1924 PolarHBondContact OD1-O 3.32Å; I1924-H1973 PolarHBondContact O-CE1 3.22Å
1925	Y	83	Confident	71.4	Confident	18.4 Å²	18.4	40.3 Å²	40.3	7%	0.072	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	148.4	178.3	-65.7	-70.6	0	0	0	111.2	I1721 I1723 Q1923 S1971 Q1972 H1973	I1721-Y1925 PolarHBondContact N-O 3.15Å; I1721-Y1925 PolarHBondContact O-N 3.12Å; I1723-Y1925 HydrophobicContact CD1-CD2 3.72Å; I1723-Y1925 HydrophobicContact CD1-CE2 4.01Å; I1723-Y1925 HydrophobicContact CG1-CD2 4.16Å; Q1923-Y1925 HydrophobicContact CB-CD2 4.46Å; Q1923-Y1925 HydrophobicContact CB-CE2 3.62Å; Q1923-Y1925 PolarHBondContact OE1-OH 3.14Å; Q1923-Y1925 VanDerWaalsContact OE1-OH 3.08Å; Y1925-S1971 VanDerWaalsContact CE1-O 3.28Å; Y1925-S1971 WeakPolarHBondContact CE1-O 3.38Å; Y1925-S1971 VanDerWaalsContact CZ-CA 3.43Å; Y1925-S1971 WeakPolarHBondContact OH-CB 3.38Å; Y1925-S1971 PolarHBondContact OH-O 3.35Å; Y1925-Q1972 WeakPolarHBondContact CD1-O 3.28Å; Y1925-H1973 AromaticContact CD1-CD2 3.95Å; Y1925-H1973 AromaticContact CD1-NE2 3.78Å
1926	V	85.4	Confident	73.1	Confident	1.6 Å²	1.6	37.5 Å²	37.5	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.9	-175.1	-177.3	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 4.26Å; F1720-V1926 HydrophobicContact CE1-CG2 4.19Å; V1899-V1926 HydrophobicContact CG1-CG1 4.47Å; I1900-V1926 HydrophobicContact CG1-CB 4.42Å; I1900-V1926 HydrophobicContact CG1-CG1 4.44Å; C1903-V1926 HydrophobicContact CB-CG2 3.82Å; C1903-V1926 WeakPolarHBondContact SG-CG2 3.33Å; V1926-A1928 HydrophobicContact CG1-CB 4.43Å; V1926-H1973 WeakPolarHBondContact CB-ND1 3.31Å; V1926-H1973 WeakPolarHBondContact CG2-ND1 3.39Å; V1926-H1973 PolarHBondContact N-ND1 3.04Å; V1926-H1973 VanDerWaalsContact N-ND1 3.16Å; V1926-H1973 CarbonylContact O-C 3.53Å; V1926-H1973 WeakPolarHBondContact O-CA 3.33Å; V1926-F1974 PolarHBondContact O-N 3.09Å
1927	Q	85.8	Confident	74.9	Confident	18.2 Å²	18.2	32.6 Å²	32.6	9%	0.085	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	109.4	168.5	-160.7	-165.6	9	0	0	107.4	N1719 I1721 L1961 H1964 F1974 L1976	N1719-Q1927 HydrophobicContact CB-CB 4.3Å; N1719-Q1927 PolarHBondContact N-O 3.14Å; N1719-Q1927 PolarHBondContact ND2-OE1 2.9Å; N1719-Q1927 VanDerWaalsContact ND2-OE1 3.17Å; N1719-Q1927 PolarHBondContact O-N 3.31Å; I1721-Q1927 HydrophobicContact CD1-CB 4.33Å; Q1927-L1961 HydrophobicContact CB-CD1 4.21Å; Q1927-L1961 HydrophobicContact CB-CD2 4.22Å; Q1927-L1961 HydrophobicContact CG-CD1 3.66Å; Q1927-L1961 HydrophobicContact CG-CD2 3.62Å; Q1927-L1961 PolarHBondContact NE2-O 2.91Å; Q1927-L1961 WeakPolarHBondContact O-CD2 3.48Å; Q1927-H1964 PolarHBondContact NE2-O 3.14Å; Q1927-F1974 WeakPolarHBondContact CA-O 3.36Å; Q1927-F1974 HydrophobicContact CG-CB 4.4Å; Q1927-L1976 HydrophobicContact CG-CD1 4.15Å
1928	A	87.4	Confident	76.7	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.9	-177.9	0	0	0	0	0	111.4	V1716 L1717 I1718 I1896 V1926 F1974 I1975 L1976	V1716-A1928 HydrophobicContact CG1-CB 4.35Å; L1717-A1928 CarbonylContact O-C 3.57Å; L1717-A1928 WeakPolarHBondContact O-CA 3.34Å; I1718-A1928 HydrophobicContact CG1-CB 4.43Å; I1896-A1928 HydrophobicContact CD1-CB 4.46Å; I1896-A1928 HydrophobicContact CG2-CB 4.19Å; V1926-A1928 HydrophobicContact CG1-CB 4.43Å; A1928-F1974 PolarHBondContact N-O 3Å; A1928-I1975 HydrophobicContact CB-CG1 4.41Å; A1928-I1975 WeakPolarHBondContact O-CA 3.37Å; A1928-L1976 PolarHBondContact O-N 3.26Å
1929	A	88.3	Confident	78.8	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.2	172.6	0	0	0	0	0	111	V1716 L1717 C1957 L1960 L1961 L1976	V1716-A1929 CarbonylContact C-O 3.59Å; V1716-A1929 WeakPolarHBondContact CA-O 3.42Å; L1717-A1929 PolarHBondContact N-O 2.99Å; L1717-A1929 PolarHBondContact O-N 3.35Å; A1929-C1957 HydrophobicContact CB-CB 4.09Å; A1929-C1957 WeakPolarHBondContact CB-O 3.35Å; A1929-C1957 PolarHBondContact O-SG 2.89Å; A1929-L1960 HydrophobicContact CB-CB 3.9Å; A1929-L1960 HydrophobicContact CB-CD1 4.21Å; A1929-L1961 HydrophobicContact CB-CD1 4.4Å; A1929-L1961 HydrophobicContact CB-CD2 3.93Å; A1929-L1961 HydrophobicContact CB-CG 3.78Å; A1929-L1976 CarbonylContact C-O 3.54Å; A1929-L1976 VanDerWaalsContact CA-O 3.31Å; A1929-L1976 WeakPolarHBondContact CA-O 3.39Å; A1929-L1976 HydrophobicContact CB-CB 4.45Å
1930	L	89.5	Confident	80.5	Confident	6.6 Å²	6.6	22.9 Å²	22.9	4%	0.035	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.8	-176.2	-64.1	88.3	0	0	0	111.7	L1715 V1716 L1892 I1896 I1975 L1976 A1977 T1978 L1981	L1715-L1930 WeakPolarHBondContact O-CA 3.39Å; V1716-L1930 HydrophobicContact CG2-CG 4.43Å; L1892-L1930 HydrophobicContact CD2-CB 4.47Å; L1892-L1930 HydrophobicContact CD2-CD2 3.9Å; L1892-L1930 VanDerWaalsContact CD2-CD2 3.46Å; L1892-L1930 HydrophobicContact CD2-CG 3.85Å; L1892-L1930 HydrophobicContact CG-CD2 4.16Å; I1896-L1930 HydrophobicContact CD1-CD1 3.61Å; I1896-L1930 VanDerWaalsContact CD1-CD1 3.45Å; I1896-L1930 HydrophobicContact CD1-CD2 3.6Å; I1896-L1930 VanDerWaalsContact CD1-CD2 3.4Å; I1896-L1930 HydrophobicContact CD1-CG 3.59Å; L1930-I1975 HydrophobicContact CD1-CG2 3.65Å; L1930-L1976 WeakPolarHBondContact CB-O 3.23Å; L1930-L1976 VanDerWaalsContact CD1-O 3.28Å; L1930-L1976 WeakPolarHBondContact CD1-O 3.38Å; L1930-L1976 PolarHBondContact N-O 3.26Å; L1930-A1977 HydrophobicContact CB-CB 4.07Å; L1930-A1977 HydrophobicContact CD1-CB 4.35Å; L1930-A1977 HydrophobicContact CD2-CB 4.33Å; L1930-T1978 PolarHBondContact O-N 3Å; L1930-L1981 HydrophobicContact CB-CD1 4.1Å; L1930-L1981 HydrophobicContact CB-CD2 3.77Å; L1930-L1981 HydrophobicContact CD1-CD2 4.47Å; L1930-L1981 HydrophobicContact CD2-CD1 4.1Å; L1930-L1981 HydrophobicContact CD2-CD2 3.96Å; L1930-L1981 HydrophobicContact CG-CD2 4.26Å
1931	H	88.8	Confident	81.9	Confident	5.4 Å²	5.4	23.7 Å²	23.7	3%	0.025	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	160.8	171.6	-168.2	66.8	0	0	0	112.5	G1714 L1715 E1952 T1956 C1957 T1978 K1980	G1714-H1931 WeakPolarHBondContact CA-O 3.42Å; L1715-H1931 PolarHBondContact N-O 3.29Å; L1715-H1931 PolarHBondContact O-N 3.22Å; L1715-H1931 VanDerWaalsContact O-N 3.14Å; H1931-E1952 IonicContact CE1-OE1 3.3Å; H1931-E1952 IonicContact NE2-OE1 3.47Å; H1931-E1952 PolarHBondContact NE2-OE1 3.45Å; H1931-E1952 IonicContact NE2-OE2 2.81Å; H1931-T1956 HydrophobicContact CB-CG2 4.43Å; H1931-T1956 VanDerWaalsContact CD2-CB 3.48Å; H1931-T1956 WeakPolarHBondContact CD2-CB 3.39Å; H1931-C1957 VanDerWaalsContact CB-SG 3.56Å; H1931-C1957 WeakPolarHBondContact CB-SG 3.36Å; H1931-C1957 PolarHBondContact N-SG 3.22Å; H1931-T1978 HydrophobicContact CB-CG2 4.3Å; H1931-T1978 VanDerWaalsContact ND1-CG2 3.3Å; H1931-T1978 WeakPolarHBondContact ND1-CG2 3.42Å; H1931-T1978 PolarHBondContact ND1-OG1 3.13Å; H1931-K1980 PolarHBondContact NE2-NZ 3.03Å; H1931-K1980 VanDerWaalsContact NE2-NZ 3.16Å
1932	S	88.1	Confident	82.7	Confident	2.4 Å²	2.4	26.3 Å²	26.3	2%	0.017	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.4	175.9	173.5	0	0	0	0	110.3	I1713 W1889 K1980 L1984	I1713-S1932 WeakPolarHBondContact O-CA 3.41Å; W1889-S1932 VanDerWaalsContact CH2-CB 3.43Å; W1889-S1932 WeakPolarHBondContact CH2-OG 3.35Å; W1889-S1932 WeakPolarHBondContact CZ2-OG 3.38Å; W1889-S1932 VanDerWaalsContact CZ3-CB 3.44Å; W1889-S1932 WeakPolarHBondContact CZ3-OG 3.37Å; S1932-K1980 VanDerWaalsContact O-CD 3.28Å; S1932-K1980 WeakPolarHBondContact O-CD 3.44Å; S1932-K1980 WeakPolarHBondContact O-CE 3.4Å; S1932-K1980 PolarHBondContact O-NZ 3Å; S1932-L1984 WeakPolarHBondContact OG-CD1 3.38Å
1933	G	85.1	Confident	83	Confident	2.2 Å²	2.2	31 Å²	31	2%	0.023	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	-173.2	178	0	0	0	0	0	115.3	N1712 I1713	N1712-G1933 PolarHBondContact N-O 2.88Å; I1713-G1933 PolarHBondContact N-O 3.03Å; I1713-G1933 PolarHBondContact O-N 3.1Å
1934	S	85.9	Confident	82.9	Confident	60.8 Å²	60.8	34.4 Å²	34.4	43%	0.425	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	143	177.9	-46.6	0	0	0	0	110.9	H1710 P1953	H1710-S1934 WeakPolarHBondContact O-CA 3.34Å; S1934-P1953 VanDerWaalsContact O-CD 3.27Å; S1934-P1953 WeakPolarHBondContact O-CD 3.37Å
1935	C	87.1	Confident	82.6	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.034	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	168.3	-173.1	55.8	0	0	0	0	112.3	S1709 H1710 F1937 L1949 W1950 P1953	S1709-C1935 CarbonylContact C-O 3.58Å; S1709-C1935 WeakPolarHBondContact CA-O 3.44Å; H1710-C1935 PolarHBondContact N-O 3.19Å; H1710-C1935 PolarHBondContact O-N 2.93Å; H1710-C1935 VanDerWaalsContact O-O 3.1Å; C1935-F1937 VanDerWaalsContact SG-CE2 3.58Å; C1935-L1949 HydrophobicContact CB-CD1 3.64Å; C1935-L1949 VanDerWaalsContact CB-CD1 3.49Å; C1935-L1949 HydrophobicContact CB-CD2 3.87Å; C1935-L1949 HydrophobicContact CB-CG 4Å; C1935-L1949 WeakPolarHBondContact SG-CD1 3.31Å; C1935-W1950 CarbonylContact C-O 3.56Å; C1935-W1950 WeakPolarHBondContact CA-O 3.35Å; C1935-W1950 VanDerWaalsContact CB-O 3.3Å; C1935-W1950 WeakPolarHBondContact CB-O 3.34Å; C1935-P1953 HydrophobicContact CB-CG 4.18Å
1936	I	87.1	Confident	82.3	Confident	83.2 Å²	83.2	40.5 Å²	40.5	43%	0.427	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.2	-179.9	-56.8	175.2	0	0	0	108.5	L1949 W1950	I1936-L1949 CarbonylContact O-C 3.53Å; I1936-L1949 WeakPolarHBondContact O-CA 3.47Å; I1936-L1949 WeakPolarHBondContact O-CD1 3.29Å; I1936-W1950 PolarHBondContact N-O 3.07Å; I1936-W1950 PolarHBondContact O-N 3.06Å
1937	F	86	Confident	82.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	138.6	170.6	-71.5	-93.7	0	0	0	109.9	Y1706 S1707 K1708 H1710 I1713 V1852 A1862 L1865 C1935 F1947 T1948 L1949	Y1706-F1937 HydrophobicContact CE1-CB 4.49Å; S1707-F1937 CarbonylContact C-O 3.55Å; S1707-F1937 VanDerWaalsContact CA-O 3.26Å; S1707-F1937 WeakPolarHBondContact CA-O 3.4Å; K1708-F1937 PolarHBondContact N-O 3.28Å; K1708-F1937 PolarHBondContact O-N 2.97Å; H1710-F1937 HydrophobicContact CB-CE2 4.35Å; H1710-F1937 AromaticContact CD2-CD2 3.9Å; I1713-F1937 HydrophobicContact CD1-CD2 4.4Å; I1713-F1937 HydrophobicContact CD1-CE2 3.45Å; I1713-F1937 VanDerWaalsContact CD1-CE2 3.45Å; I1713-F1937 HydrophobicContact CD1-CZ 4Å; V1852-F1937 HydrophobicContact CB-CE1 4.39Å; V1852-F1937 HydrophobicContact CG1-CE1 3.72Å; V1852-F1937 HydrophobicContact CG1-CZ 4.3Å; V1852-F1937 HydrophobicContact CG2-CE1 3.68Å; V1852-F1937 HydrophobicContact CG2-CZ 4.4Å; A1862-F1937 HydrophobicContact CB-CZ 4.37Å; L1865-F1937 HydrophobicContact CD1-CD1 4.46Å; L1865-F1937 HydrophobicContact CD1-CE1 3.81Å; L1865-F1937 HydrophobicContact CD1-CE2 4.36Å; L1865-F1937 HydrophobicContact CD1-CZ 3.71Å; L1865-F1937 HydrophobicContact CD2-CD1 4.33Å; L1865-F1937 HydrophobicContact CD2-CD2 3.86Å; L1865-F1937 HydrophobicContact CD2-CE1 4.13Å; L1865-F1937 HydrophobicContact CD2-CE2 3.61Å; L1865-F1937 VanDerWaalsContact CD2-CE2 3.42Å; L1865-F1937 HydrophobicContact CD2-CG 4.24Å; L1865-F1937 HydrophobicContact CD2-CZ 3.74Å; L1865-F1937 HydrophobicContact CG-CE1 4.46Å; L1865-F1937 HydrophobicContact CG-CE2 4.25Å; L1865-F1937 HydrophobicContact CG-CZ 3.99Å; C1935-F1937 VanDerWaalsContact SG-CE2 3.58Å; F1937-F1947 HydrophobicContact CB-CE2 4.16Å; F1937-F1947 HydrophobicContact CB-CZ 3.93Å; F1937-F1947 AromaticContact CD1-CE1 3.86Å; F1937-F1947 HydrophobicContact CD1-CE1 3.86Å; F1937-F1947 HydrophobicContact CD1-CE2 4.49Å; F1937-F1947 AromaticContact CD1-CZ 3.65Å; F1937-F1947 HydrophobicContact CD1-CZ 3.65Å; F1937-F1947 HydrophobicContact CE1-CE1 4.48Å; F1937-F1947 AromaticContact CG-CZ 3.94Å; F1937-F1947 HydrophobicContact CG-CZ 4.17Å; F1937-T1948 WeakPolarHBondContact CA-O 3.35Å; F1937-L1949 HydrophobicContact CD1-CB 4.11Å; F1937-L1949 HydrophobicContact CD1-CD1 4.12Å; F1937-L1949 HydrophobicContact CD2-CD1 4.22Å; F1937-L1949 HydrophobicContact CE1-CB 3.92Å; F1937-L1949 HydrophobicContact CE1-CD1 3.99Å; F1937-L1949 HydrophobicContact CE1-CD2 4.45Å; F1937-L1949 HydrophobicContact CE1-CG 4.33Å; F1937-L1949 HydrophobicContact CE2-CD1 3.64Å; F1937-L1949 HydrophobicContact CE2-CG 4.4Å; F1937-L1949 HydrophobicContact CG-CD1 4.14Å; F1937-L1949 HydrophobicContact CZ-CB 4.24Å; F1937-L1949 HydrophobicContact CZ-CD1 3.5Å; F1937-L1949 VanDerWaalsContact CZ-CD1 3.48Å; F1937-L1949 HydrophobicContact CZ-CD2 4.07Å; F1937-L1949 HydrophobicContact CZ-CG 4.24Å
1938	G	84.1	Confident	82.1	Confident	3.4 Å²	3.4	41.6 Å²	41.6	4%	0.035	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172	-179.4	172.6	0	0	0	0	0	114	Y1706 F1947 T1948 W1950	Y1706-G1938 WeakPolarHBondContact O-CA 3.38Å; G1938-F1947 WeakPolarHBondContact O-CA 3.28Å; G1938-T1948 PolarHBondContact N-O 3.22Å; G1938-T1948 VanDerWaalsContact N-O 3.11Å; G1938-T1948 PolarHBondContact O-N 3.03Å; G1938-T1948 VanDerWaalsContact O-N 3.1Å; G1938-W1950 WeakPolarHBondContact O-CH2 3.45Å; G1938-W1950 WeakPolarHBondContact O-CZ3 3.37Å
1939	F	82.8	Confident	82	Confident	35.2 Å²	35.2	41.7 Å²	41.7	15%	0.154	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	142.5	172.1	-65.7	-91.6	0	0	0	111.2	V1688 V1692 I1696 I1705 Y1706 P1945 V1946 F1947	V1688-F1939 HydrophobicContact CB-CZ 4.48Å; V1688-F1939 HydrophobicContact CG1-CE1 4.44Å; V1688-F1939 HydrophobicContact CG1-CZ 3.77Å; V1688-F1939 HydrophobicContact CG2-CE1 3.78Å; V1688-F1939 HydrophobicContact CG2-CZ 3.89Å; V1692-F1939 HydrophobicContact CG1-CE2 3.58Å; V1692-F1939 HydrophobicContact CG1-CZ 3.85Å; I1696-F1939 HydrophobicContact CD1-CE2 3.74Å; I1696-F1939 HydrophobicContact CD1-CZ 3.87Å; I1705-F1939 HydrophobicContact CG2-CB 4.49Å; Y1706-F1939 HydrophobicContact CD1-CD2 4.39Å; Y1706-F1939 HydrophobicContact CD1-CE2 4.27Å; Y1706-F1939 HydrophobicContact CG-CE2 4.38Å; Y1706-F1939 PolarHBondContact O-N 2.89Å; F1939-P1945 HydrophobicContact CB-CB 4.45Å; F1939-P1945 HydrophobicContact CD1-CB 3.99Å; F1939-V1946 CarbonylContact C-O 3.52Å; F1939-V1946 VanDerWaalsContact CA-O 3.31Å; F1939-V1946 WeakPolarHBondContact CA-O 3.37Å; F1939-F1947 HydrophobicContact CD1-CB 4.12Å; F1939-F1947 HydrophobicContact CD2-CD2 4.37Å; F1939-F1947 HydrophobicContact CE1-CB 3.8Å; F1939-F1947 HydrophobicContact CE1-CD2 4.25Å; F1939-F1947 HydrophobicContact CE1-CG 4.46Å; F1939-F1947 AromaticContact CE2-CD2 3.88Å; F1939-F1947 HydrophobicContact CE2-CD2 3.95Å; F1939-F1947 HydrophobicContact CZ-CB 4.25Å; F1939-F1947 AromaticContact CZ-CD2 3.9Å; F1939-F1947 HydrophobicContact CZ-CD2 3.9Å; F1939-F1947 HydrophobicContact CZ-CG 4.43Å
1940	V	78.6	Confident	81.9	Confident	64.4 Å²	64.4	47.5 Å²	47.5	39%	0.39	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	143.9	172.1	179	0	0	0	0	109.5	H1944 P1945 V1946 T1948 W1950	V1940-H1944 VanDerWaalsContact O-O 3.11Å; V1940-P1945 WeakPolarHBondContact O-CA 3.41Å; V1940-V1946 PolarHBondContact N-O 3.2Å; V1940-V1946 VanDerWaalsContact N-O 3.1Å; V1940-V1946 PolarHBondContact O-N 3.32Å; V1940-V1946 VanDerWaalsContact O-N 3.08Å; V1940-T1948 HydrophobicContact CB-CG2 4.43Å; V1940-T1948 HydrophobicContact CG2-CG2 3.72Å; V1940-T1948 WeakPolarHBondContact CG2-OG1 3.33Å; V1940-W1950 HydrophobicContact CB-CH2 3.97Å; V1940-W1950 HydrophobicContact CB-CZ2 4.15Å; V1940-W1950 HydrophobicContact CG1-CH2 4.39Å; V1940-W1950 HydrophobicContact CG1-CZ2 4.08Å; V1940-W1950 HydrophobicContact CG2-CH2 3.63Å; V1940-W1950 VanDerWaalsContact CG2-CH2 3.45Å; V1940-W1950 HydrophobicContact CG2-CZ2 3.48Å; V1940-W1950 HydrophobicContact CG2-CZ3 4.48Å
1941	S	74.3	Confident	81.7	Confident	65.4 Å²	65.4	49 Å²	49	46%	0.457	28%	0.28	S	S	.	.			trans	70.1	143.3	-172.1	177.5	0	0	0	0	115	Q1943 H1944 P1945	S1941-Q1943 PolarHBondContact OG-N 3.31Å; S1941-Q1943 VanDerWaalsContact OG-N 3.13Å; S1941-H1944 WeakPolarHBondContact CB-O 3.31Å; S1941-H1944 PolarHBondContact OG-N 3.18Å; S1941-H1944 PolarHBondContact OG-O 2.82Å; S1941-P1945 WeakPolarHBondContact O-CA 3.41Å
1942	S	70	Confident	81.6	Confident	106 Å²	106	53.4 Å²	53.4	74%	0.741	30%	0.301	S	S	*	.	S	Bend	trans	-90.6	-23.9	174.1	51.6	0	0	0	0	113.1	L2445	S1942-L2445 WeakPolarHBondContact O-CD1 3.21Å
1943	Q	70.7	Confident	81.5	Confident	127.8 Å²	127.8	53.3 Å²	53.3	60%	0.597	30%	0.3	S	S	*	.	S	Bend	trans	-86.7	-41.3	-179.8	-63.4	179.4	-23.9	0	0	111.7	T1024 S1941	T1024-Q1943 HydrophobicContact CG2-CB 3.59Å; T1024-Q1943 HydrophobicContact CG2-CG 3.32Å; S1941-Q1943 PolarHBondContact OG-N 3.31Å; S1941-Q1943 VanDerWaalsContact OG-N 3.13Å
1944	H	72.1	Confident	81.7	Confident	115.2 Å²	115.2	54.3 Å²	54.3	53%	0.533	31%	0.305	S	S	.	.	S	Bend	trans	-132.2	83.4	178.5	-64.2	-51.2	0	0	0	108.7	V1940 S1941 V1946 D2441	V1940-H1944 VanDerWaalsContact O-O 3.11Å; S1941-H1944 WeakPolarHBondContact CB-O 3.31Å; S1941-H1944 PolarHBondContact OG-N 3.18Å; S1941-H1944 PolarHBondContact OG-O 2.82Å; H1944-V1946 WeakPolarHBondContact O-CG2 3.32Å; H1944-V1946 PolarHBondContact O-N 3.11Å; H1944-D2441 IonicContact CE1-OD1 2.69Å; H1944-D2441 PolarHBondContact CE1-OD1 2.88Å
1945	P	73.5	Confident	81.7	Confident	68.8 Å²	68.8	55.8 Å²	55.8	45%	0.447	31%	0.305	S	S	.	.			trans	-69.3	97.1	-173.2	27.2	-34.8	0	0	0	111.4	F1939 V1940 S1941	F1939-P1945 HydrophobicContact CB-CB 4.45Å; F1939-P1945 HydrophobicContact CD1-CB 3.99Å; V1940-P1945 WeakPolarHBondContact O-CA 3.41Å; S1941-P1945 WeakPolarHBondContact O-CA 3.41Å
1946	V	78.2	Confident	81.6	Confident	78.2 Å²	78.2	56.6 Å²	56.6	47%	0.474	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.2	177	-173.6	0	0	0	0	109.3	F1939 V1940 H1944 T1948	F1939-V1946 CarbonylContact C-O 3.52Å; F1939-V1946 VanDerWaalsContact CA-O 3.31Å; F1939-V1946 WeakPolarHBondContact CA-O 3.37Å; V1940-V1946 PolarHBondContact N-O 3.2Å; V1940-V1946 VanDerWaalsContact N-O 3.1Å; V1940-V1946 PolarHBondContact O-N 3.32Å; V1940-V1946 VanDerWaalsContact O-N 3.08Å; H1944-V1946 WeakPolarHBondContact O-CG2 3.32Å; H1944-V1946 PolarHBondContact O-N 3.11Å; V1946-T1948 HydrophobicContact CB-CG2 4.14Å; V1946-T1948 HydrophobicContact CG1-CG2 3.99Å; V1946-T1948 PolarHBondContact O-N 3.13Å; V1946-T1948 PolarHBondContact O-OG1 3.15Å
1947	F	82.4	Confident	81.6	Confident	20 Å²	20	52.6 Å²	52.6	9%	0.088	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	117.5	169.2	-177	-100.9	0	0	0	109.7	P1689 F1691 V1692 Y1706 F1937 G1938 F1939	P1689-F1947 HydrophobicContact CG-CD1 4.12Å; P1689-F1947 HydrophobicContact CG-CE1 3.88Å; P1689-F1947 HydrophobicContact CG-CZ 4.46Å; F1691-F1947 HydrophobicContact CZ-CZ 4.4Å; V1692-F1947 HydrophobicContact CG1-CD2 4.45Å; V1692-F1947 HydrophobicContact CG1-CE2 4.26Å; V1692-F1947 HydrophobicContact CG2-CD2 4.45Å; V1692-F1947 HydrophobicContact CG2-CE2 3.73Å; V1692-F1947 HydrophobicContact CG2-CZ 3.88Å; Y1706-F1947 HydrophobicContact CD1-CE2 4.33Å; Y1706-F1947 HydrophobicContact CE1-CE2 4.16Å; F1937-F1947 HydrophobicContact CB-CE2 4.16Å; F1937-F1947 HydrophobicContact CB-CZ 3.93Å; F1937-F1947 AromaticContact CD1-CE1 3.86Å; F1937-F1947 HydrophobicContact CD1-CE1 3.86Å; F1937-F1947 HydrophobicContact CD1-CE2 4.49Å; F1937-F1947 AromaticContact CD1-CZ 3.65Å; F1937-F1947 HydrophobicContact CD1-CZ 3.65Å; F1937-F1947 HydrophobicContact CE1-CE1 4.48Å; F1937-F1947 AromaticContact CG-CZ 3.94Å; F1937-F1947 HydrophobicContact CG-CZ 4.17Å; G1938-F1947 WeakPolarHBondContact O-CA 3.28Å; F1939-F1947 HydrophobicContact CD1-CB 4.12Å; F1939-F1947 HydrophobicContact CD2-CD2 4.37Å; F1939-F1947 HydrophobicContact CE1-CB 3.8Å; F1939-F1947 HydrophobicContact CE1-CD2 4.25Å; F1939-F1947 HydrophobicContact CE1-CG 4.46Å; F1939-F1947 AromaticContact CE2-CD2 3.88Å; F1939-F1947 HydrophobicContact CE2-CD2 3.95Å; F1939-F1947 HydrophobicContact CZ-CB 4.25Å; F1939-F1947 AromaticContact CZ-CD2 3.9Å; F1939-F1947 HydrophobicContact CZ-CD2 3.9Å; F1939-F1947 HydrophobicContact CZ-CG 4.43Å
1948	T	82.9	Confident	81.6	Confident	23.8 Å²	23.8	56.7 Å²	56.7	15%	0.146	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	164.8	-176.1	82.9	0	0	0	0	112.4	F1937 G1938 V1940 V1946 W1950	F1937-T1948 WeakPolarHBondContact CA-O 3.35Å; G1938-T1948 PolarHBondContact N-O 3.22Å; G1938-T1948 VanDerWaalsContact N-O 3.11Å; G1938-T1948 PolarHBondContact O-N 3.03Å; G1938-T1948 VanDerWaalsContact O-N 3.1Å; V1940-T1948 HydrophobicContact CB-CG2 4.43Å; V1940-T1948 HydrophobicContact CG2-CG2 3.72Å; V1940-T1948 WeakPolarHBondContact CG2-OG1 3.33Å; V1946-T1948 HydrophobicContact CB-CG2 4.14Å; V1946-T1948 HydrophobicContact CG1-CG2 3.99Å; V1946-T1948 PolarHBondContact O-N 3.13Å; V1946-T1948 PolarHBondContact O-OG1 3.15Å; T1948-W1950 HydrophobicContact CG2-CZ2 4.13Å; T1948-W1950 VanDerWaalsContact O-CZ3 3.24Å; T1948-W1950 WeakPolarHBondContact O-CZ3 3.34Å; T1948-W1950 WeakPolarHBondContact OG1-CH2 3.42Å; T1948-W1950 WeakPolarHBondContact OG1-CZ2 3.34Å
1949	L	86.9	Confident	81.6	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140.1	174.2	169.7	119	0	0	0	110.7	I1713 L1715 V1852 C1935 I1936 F1937 P1953 L1954	I1713-L1949 HydrophobicContact CG2-CD1 4.41Å; L1715-L1949 HydrophobicContact CD1-CD1 4.35Å; L1715-L1949 HydrophobicContact CD1-CD2 4.17Å; L1715-L1949 HydrophobicContact CD2-CD2 4.02Å; V1852-L1949 HydrophobicContact CG1-CB 3.31Å; V1852-L1949 VanDerWaalsContact CG1-CB 3.44Å; V1852-L1949 HydrophobicContact CG1-CD1 4.05Å; V1852-L1949 HydrophobicContact CG1-CD2 3.86Å; V1852-L1949 HydrophobicContact CG1-CG 4.17Å; C1935-L1949 HydrophobicContact CB-CD1 3.64Å; C1935-L1949 VanDerWaalsContact CB-CD1 3.49Å; C1935-L1949 HydrophobicContact CB-CD2 3.87Å; C1935-L1949 HydrophobicContact CB-CG 4Å; C1935-L1949 WeakPolarHBondContact SG-CD1 3.31Å; I1936-L1949 CarbonylContact O-C 3.53Å; I1936-L1949 WeakPolarHBondContact O-CA 3.47Å; I1936-L1949 WeakPolarHBondContact O-CD1 3.29Å; F1937-L1949 HydrophobicContact CD1-CB 4.11Å; F1937-L1949 HydrophobicContact CD1-CD1 4.12Å; F1937-L1949 HydrophobicContact CD2-CD1 4.22Å; F1937-L1949 HydrophobicContact CE1-CB 3.92Å; F1937-L1949 HydrophobicContact CE1-CD1 3.99Å; F1937-L1949 HydrophobicContact CE1-CD2 4.45Å; F1937-L1949 HydrophobicContact CE1-CG 4.33Å; F1937-L1949 HydrophobicContact CE2-CD1 3.64Å; F1937-L1949 HydrophobicContact CE2-CG 4.4Å; F1937-L1949 HydrophobicContact CG-CD1 4.14Å; F1937-L1949 HydrophobicContact CZ-CB 4.24Å; F1937-L1949 HydrophobicContact CZ-CD1 3.5Å; F1937-L1949 VanDerWaalsContact CZ-CD1 3.48Å; F1937-L1949 HydrophobicContact CZ-CD2 4.07Å; F1937-L1949 HydrophobicContact CZ-CG 4.24Å; L1949-P1953 HydrophobicContact CD2-CB 4.38Å; L1949-L1954 HydrophobicContact CD2-CB 3.92Å; L1949-L1954 HydrophobicContact CD2-CD1 4.07Å; L1949-L1954 HydrophobicContact CD2-CD2 4.49Å; L1949-L1954 HydrophobicContact CD2-CG 4.28Å; L1949-L1954 HydrophobicContact CG-CB 4.18Å; L1949-L1954 VanDerWaalsContact O-CD2 3.3Å; L1949-L1954 WeakPolarHBondContact O-CD2 3.36Å
1950	W	86	Confident	81.5	Confident	120.8 Å²	120.8	57.9 Å²	57.9	46%	0.458	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	146.9	170.7	-60.8	-47.2	0	0	0	111.2	C1935 I1936 G1938 V1940 T1948	C1935-W1950 CarbonylContact C-O 3.56Å; C1935-W1950 WeakPolarHBondContact CA-O 3.35Å; C1935-W1950 VanDerWaalsContact CB-O 3.3Å; C1935-W1950 WeakPolarHBondContact CB-O 3.34Å; I1936-W1950 PolarHBondContact N-O 3.07Å; I1936-W1950 PolarHBondContact O-N 3.06Å; G1938-W1950 WeakPolarHBondContact O-CH2 3.45Å; G1938-W1950 WeakPolarHBondContact O-CZ3 3.37Å; V1940-W1950 HydrophobicContact CB-CH2 3.97Å; V1940-W1950 HydrophobicContact CB-CZ2 4.15Å; V1940-W1950 HydrophobicContact CG1-CH2 4.39Å; V1940-W1950 HydrophobicContact CG1-CZ2 4.08Å; V1940-W1950 HydrophobicContact CG2-CH2 3.63Å; V1940-W1950 VanDerWaalsContact CG2-CH2 3.45Å; V1940-W1950 HydrophobicContact CG2-CZ2 3.48Å; V1940-W1950 HydrophobicContact CG2-CZ3 4.48Å; T1948-W1950 HydrophobicContact CG2-CZ2 4.13Å; T1948-W1950 VanDerWaalsContact O-CZ3 3.24Å; T1948-W1950 WeakPolarHBondContact O-CZ3 3.34Å; T1948-W1950 WeakPolarHBondContact OG1-CH2 3.42Å; T1948-W1950 WeakPolarHBondContact OG1-CZ2 3.34Å
1951	G	85.6	Confident	81.7	Confident	39.2 Å²	39.2	55.5 Å²	55.5	40%	0.404	30%	0.295	S	S	.	.	S	Bend	trans	131.7	-179.8	174.9	0	0	0	0	0	114	P1953 L1954 E1955	G1951-P1953 VanDerWaalsContact C-CD 3.44Å; G1951-P1953 VanDerWaalsContact C-N 3.31Å; G1951-P1953 VanDerWaalsContact O-N 3.14Å; G1951-L1954 PolarHBondContact O-N 3.08Å; G1951-E1955 PolarHBondContact O-N 3.08Å
1952	E	85.8	Confident	81.9	Confident	97.4 Å²	97.4	55.9 Å²	55.9	46%	0.455	30%	0.298	S	S	.	.	H	α-helix	trans	-44.2	-43.6	179.4	179.3	-164.2	-160.6	0	0	113.8	H1931 L1954 E1955 T1956 K1980	H1931-E1952 IonicContact CE1-OE1 3.3Å; H1931-E1952 IonicContact NE2-OE1 3.47Å; H1931-E1952 PolarHBondContact NE2-OE1 3.45Å; H1931-E1952 IonicContact NE2-OE2 2.81Å; E1952-L1954 PolarHBondContact O-N 3.1Å; E1952-E1955 PolarHBondContact O-N 3.2Å; E1952-T1956 VanDerWaalsContact O-CB 3.29Å; E1952-T1956 WeakPolarHBondContact O-CB 3.35Å; E1952-T1956 PolarHBondContact O-N 3.08Å; E1952-T1956 PolarHBondContact O-OG1 3.25Å; E1952-T1956 VanDerWaalsContact O-OG1 3.1Å; E1952-K1980 IonicContact OE1-NZ 3.27Å; E1952-K1980 PolarHBondContact OE1-NZ 3.35Å; E1952-K1980 IonicContact OE2-NZ 3.13Å; E1952-K1980 PolarHBondContact OE2-NZ 3.12Å
1953	P	87	Confident	81.7	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.3	-40.9	-176.7	-25.6	36.6	0	0	0	114.8	L1715 S1934 C1935 L1949 G1951 C1957	L1715-P1953 HydrophobicContact CB-CB 4.21Å; L1715-P1953 HydrophobicContact CD2-CB 4.25Å; L1715-P1953 WeakPolarHBondContact CD2-O 3.3Å; S1934-P1953 VanDerWaalsContact O-CD 3.27Å; S1934-P1953 WeakPolarHBondContact O-CD 3.37Å; C1935-P1953 HydrophobicContact CB-CG 4.18Å; L1949-P1953 HydrophobicContact CD2-CB 4.38Å; G1951-P1953 VanDerWaalsContact C-CD 3.44Å; G1951-P1953 VanDerWaalsContact C-N 3.31Å; G1951-P1953 VanDerWaalsContact O-N 3.14Å; P1953-C1957 WeakPolarHBondContact O-CB 3.37Å; P1953-C1957 PolarHBondContact O-N 3.19Å; P1953-C1957 VanDerWaalsContact O-N 3.11Å; P1953-C1957 PolarHBondContact O-SG 3.14Å; P1953-C1957 VanDerWaalsContact O-SG 3.41Å
1954	L	87.6	Confident	81.2	Confident	24.2 Å²	24.2	50.9 Å²	50.9	13%	0.127	26%	0.261	C	S	.	.	H	α-helix	trans	-69.9	-45.8	-180	-178.4	62.8	0	0	0	110.8	L1715 L1717 Y1853 L1949 G1951 E1952 C1957 R1958	L1715-L1954 HydrophobicContact CD2-CB 4.16Å; L1715-L1954 HydrophobicContact CD2-CD1 4.11Å; L1717-L1954 HydrophobicContact CD1-CD1 4.06Å; L1717-L1954 HydrophobicContact CD2-CD1 4.06Å; L1717-L1954 HydrophobicContact CG-CD1 4.47Å; Y1853-L1954 HydrophobicContact CD2-CD1 4.37Å; Y1853-L1954 HydrophobicContact CD2-CD2 4.34Å; Y1853-L1954 HydrophobicContact CG-CD1 4.41Å; L1949-L1954 HydrophobicContact CD2-CB 3.92Å; L1949-L1954 HydrophobicContact CD2-CD1 4.07Å; L1949-L1954 HydrophobicContact CD2-CD2 4.49Å; L1949-L1954 HydrophobicContact CD2-CG 4.28Å; L1949-L1954 HydrophobicContact CG-CB 4.18Å; L1949-L1954 VanDerWaalsContact O-CD2 3.3Å; L1949-L1954 WeakPolarHBondContact O-CD2 3.36Å; G1951-L1954 PolarHBondContact O-N 3.08Å; E1952-L1954 PolarHBondContact O-N 3.1Å; L1954-C1957 PolarHBondContact O-N 3.13Å; L1954-R1958 HydrophobicContact CD1-CG 4.2Å; L1954-R1958 HydrophobicContact CG-CG 4.46Å; L1954-R1958 WeakPolarHBondContact O-CB 3.36Å; L1954-R1958 VanDerWaalsContact O-CG 3.27Å; L1954-R1958 WeakPolarHBondContact O-CG 3.25Å; L1954-R1958 PolarHBondContact O-N 3.3Å
1955	E	86.2	Confident	80.3	Confident	91 Å²	91	52.7 Å²	52.7	43%	0.425	27%	0.27	S	S	.	.	H	α-helix	trans	-68.7	-41.2	-177.7	-176.8	51.5	-153	0	0	111.4	G1951 E1952 C1957 R1958 Q1959	G1951-E1955 PolarHBondContact O-N 3.08Å; E1952-E1955 PolarHBondContact O-N 3.2Å; E1955-C1957 PolarHBondContact O-N 3.15Å; E1955-R1958 PolarHBondContact O-N 3.17Å; E1955-R1958 VanDerWaalsContact O-N 3.17Å; E1955-Q1959 WeakPolarHBondContact O-CB 3.36Å; E1955-Q1959 WeakPolarHBondContact O-CG 3.38Å; E1955-Q1959 PolarHBondContact O-N 3.24Å; E1955-Q1959 VanDerWaalsContact OE1-CG 3.29Å; E1955-Q1959 WeakPolarHBondContact OE1-CG 3.39Å; E1955-Q1959 PolarHBondContact OE1-NE2 3.27Å
1956	T	85.5	Confident	79.3	Confident	22.4 Å²	22.4	53 Å²	53	14%	0.137	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-43.6	174.1	-60.3	0	0	0	0	111.8	H1931 E1952 R1958 Q1959 L1960 T1978 I2024	H1931-T1956 HydrophobicContact CB-CG2 4.43Å; H1931-T1956 VanDerWaalsContact CD2-CB 3.48Å; H1931-T1956 WeakPolarHBondContact CD2-CB 3.39Å; E1952-T1956 VanDerWaalsContact O-CB 3.29Å; E1952-T1956 WeakPolarHBondContact O-CB 3.35Å; E1952-T1956 PolarHBondContact O-N 3.08Å; E1952-T1956 PolarHBondContact O-OG1 3.25Å; E1952-T1956 VanDerWaalsContact O-OG1 3.1Å; T1956-R1958 VanDerWaalsContact C-N 3.35Å; T1956-R1958 PolarHBondContact O-N 2.94Å; T1956-Q1959 PolarHBondContact O-N 3.24Å; T1956-L1960 HydrophobicContact CG2-CD1 4.36Å; T1956-L1960 WeakPolarHBondContact O-CG 3.4Å; T1956-L1960 PolarHBondContact O-N 3.19Å; T1956-T1978 HydrophobicContact CG2-CG2 3.87Å; T1956-I2024 HydrophobicContact CG2-CD1 3.56Å
1957	C	87.1	Confident	78	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-37.8	174.7	-74.2	0	0	0	0	112.8	L1715 L1717 A1929 H1931 P1953 L1954 E1955 L1960 L1961	L1715-C1957 HydrophobicContact CD2-CB 4.4Å; L1717-C1957 HydrophobicContact CB-CB 4.01Å; L1717-C1957 HydrophobicContact CD1-CB 3.49Å; L1717-C1957 VanDerWaalsContact CD1-CB 3.46Å; L1717-C1957 HydrophobicContact CD2-CB 4.19Å; L1717-C1957 HydrophobicContact CG-CB 3.63Å; A1929-C1957 HydrophobicContact CB-CB 4.09Å; A1929-C1957 WeakPolarHBondContact CB-O 3.35Å; A1929-C1957 PolarHBondContact O-SG 2.89Å; H1931-C1957 VanDerWaalsContact CB-SG 3.56Å; H1931-C1957 WeakPolarHBondContact CB-SG 3.36Å; H1931-C1957 PolarHBondContact N-SG 3.22Å; P1953-C1957 WeakPolarHBondContact O-CB 3.37Å; P1953-C1957 PolarHBondContact O-N 3.19Å; P1953-C1957 VanDerWaalsContact O-N 3.11Å; P1953-C1957 PolarHBondContact O-SG 3.14Å; P1953-C1957 VanDerWaalsContact O-SG 3.41Å; L1954-C1957 PolarHBondContact O-N 3.13Å; E1955-C1957 PolarHBondContact O-N 3.15Å; C1957-L1960 PolarHBondContact O-N 3.42Å; C1957-L1961 WeakPolarHBondContact O-CB 3.24Å; C1957-L1961 WeakPolarHBondContact O-CG 3.44Å; C1957-L1961 PolarHBondContact O-N 3.15Å; C1957-L1961 VanDerWaalsContact O-N 3.11Å
1958	R	85.8	Confident	76.4	Confident	85.8 Å²	85.8	62.2 Å²	62.2	32%	0.324	31%	0.309	S	S	.	.	H	α-helix	trans	-65.2	-39.7	173.8	-73.7	175.5	69.5	84.8	-0.3	111.9	L1717 Y1853 L1954 E1955 T1956 L1961 S1962	L1717-R1958 HydrophobicContact CD1-CG 3.77Å; L1717-R1958 HydrophobicContact CD2-CB 4.45Å; L1717-R1958 HydrophobicContact CD2-CG 3.66Å; Y1853-R1958 PolarHBondContact OH-NH1 3.22Å; Y1853-R1958 VanDerWaalsContact OH-NH1 3.1Å; L1954-R1958 HydrophobicContact CD1-CG 4.2Å; L1954-R1958 HydrophobicContact CG-CG 4.46Å; L1954-R1958 WeakPolarHBondContact O-CB 3.36Å; L1954-R1958 VanDerWaalsContact O-CG 3.27Å; L1954-R1958 WeakPolarHBondContact O-CG 3.25Å; L1954-R1958 PolarHBondContact O-N 3.3Å; E1955-R1958 PolarHBondContact O-N 3.17Å; E1955-R1958 VanDerWaalsContact O-N 3.17Å; T1956-R1958 VanDerWaalsContact C-N 3.35Å; T1956-R1958 PolarHBondContact O-N 2.94Å; R1958-L1961 PolarHBondContact O-N 3.28Å; R1958-S1962 VanDerWaalsContact O-CB 3.31Å; R1958-S1962 WeakPolarHBondContact O-CB 3.39Å; R1958-S1962 PolarHBondContact O-N 3.13Å; R1958-S1962 PolarHBondContact O-OG 3.26Å; R1958-S1962 VanDerWaalsContact O-OG 3.06Å
1959	Q	84.2	Confident	74.9	Confident	63 Å²	63	64.3 Å²	64.3	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-69.6	-35.9	176.5	-72.5	-172	28.1	0	0	112.9	E1955 T1956 L1961 S1962 K1963 I2031	E1955-Q1959 WeakPolarHBondContact O-CB 3.36Å; E1955-Q1959 WeakPolarHBondContact O-CG 3.38Å; E1955-Q1959 PolarHBondContact O-N 3.24Å; E1955-Q1959 VanDerWaalsContact OE1-CG 3.29Å; E1955-Q1959 WeakPolarHBondContact OE1-CG 3.39Å; E1955-Q1959 PolarHBondContact OE1-NE2 3.27Å; T1956-Q1959 PolarHBondContact O-N 3.24Å; Q1959-L1961 VanDerWaalsContact C-N 3.28Å; Q1959-S1962 WeakPolarHBondContact CA-OG 3.17Å; Q1959-S1962 PolarHBondContact O-OG 3.28Å; Q1959-K1963 HydrophobicContact CB-CD 4.37Å; Q1959-K1963 VanDerWaalsContact O-CB 3.25Å; Q1959-K1963 WeakPolarHBondContact O-CB 3.38Å; Q1959-K1963 WeakPolarHBondContact O-CD 3.39Å; Q1959-K1963 VanDerWaalsContact O-CG 3.26Å; Q1959-K1963 WeakPolarHBondContact O-CG 3.32Å; Q1959-K1963 PolarHBondContact O-N 3.3Å; Q1959-I2031 HydrophobicContact CB-CD1 4.27Å
1960	L	81.2	Confident	73.2	Confident	1.4 Å²	1.4	66.3 Å²	66.3	1%	0.007	34%	0.34	C	S	.	.	H	α-helix	trans	-59.2	-49.5	169.9	-77.5	167	0	0	0	110.9	A1929 T1956 C1957 S1962 H1964 L1976 T1978 C2022 I2024 I2031	A1929-L1960 HydrophobicContact CB-CB 3.9Å; A1929-L1960 HydrophobicContact CB-CD1 4.21Å; T1956-L1960 HydrophobicContact CG2-CD1 4.36Å; T1956-L1960 WeakPolarHBondContact O-CG 3.4Å; T1956-L1960 PolarHBondContact O-N 3.19Å; C1957-L1960 PolarHBondContact O-N 3.42Å; L1960-S1962 PolarHBondContact O-N 3.15Å; L1960-H1964 VanDerWaalsContact O-CB 3.24Å; L1960-H1964 WeakPolarHBondContact O-CB 3.26Å; L1960-H1964 PolarHBondContact O-CD2 3.2Å; L1960-H1964 VanDerWaalsContact O-CD2 3.26Å; L1960-H1964 PolarHBondContact O-N 3.35Å; L1960-L1976 HydrophobicContact CB-CB 4.46Å; L1960-L1976 HydrophobicContact CB-CD1 4.27Å; L1960-L1976 HydrophobicContact CB-CD2 4.39Å; L1960-L1976 HydrophobicContact CD2-CB 4.33Å; L1960-L1976 HydrophobicContact CD2-CD2 4.2Å; L1960-T1978 HydrophobicContact CD1-CG2 3.83Å; L1960-C2022 HydrophobicContact CD2-CB 3.87Å; L1960-I2024 HydrophobicContact CD1-CD1 4.37Å; L1960-I2024 HydrophobicContact CD2-CD1 4Å; L1960-I2024 HydrophobicContact CD2-CG1 3.98Å; L1960-I2024 HydrophobicContact CG-CD1 4.26Å; L1960-I2031 HydrophobicContact CD2-CD1 3.87Å; L1960-I2031 HydrophobicContact CD2-CG1 4.21Å; L1960-I2031 HydrophobicContact CD2-CG2 4.25Å; L1960-I2031 HydrophobicContact CG-CD1 4.14Å
1961	L	82.1	Confident	71.9	Confident	13.6 Å²	13.6	64 Å²	64	7%	0.071	34%	0.342	C	S	.	.	H	α-helix	trans	-65.5	-42.3	179.8	-81	160.5	0	0	0	112.8	L1717 N1719 M1858 Q1927 A1929 C1957 R1958 Q1959 H1964 L1976	L1717-L1961 HydrophobicContact CB-CD1 3.83Å; L1717-L1961 HydrophobicContact CD1-CD1 4.24Å; L1717-L1961 HydrophobicContact CD2-CD1 3.68Å; L1717-L1961 HydrophobicContact CD2-CD2 4.22Å; L1717-L1961 HydrophobicContact CG-CD1 3.63Å; N1719-L1961 HydrophobicContact CB-CD1 4.21Å; N1719-L1961 HydrophobicContact CB-CD2 4.21Å; N1719-L1961 HydrophobicContact CB-CG 4.28Å; M1858-L1961 HydrophobicContact CG-CD2 3.88Å; M1858-L1961 HydrophobicContact SD-CD1 4.06Å; M1858-L1961 HydrophobicContact SD-CD2 3.48Å; M1858-L1961 WeakPolarHBondContact SD-CD2 3.48Å; Q1927-L1961 HydrophobicContact CB-CD1 4.21Å; Q1927-L1961 HydrophobicContact CB-CD2 4.22Å; Q1927-L1961 HydrophobicContact CG-CD1 3.66Å; Q1927-L1961 HydrophobicContact CG-CD2 3.62Å; Q1927-L1961 PolarHBondContact NE2-O 2.91Å; Q1927-L1961 WeakPolarHBondContact O-CD2 3.48Å; A1929-L1961 HydrophobicContact CB-CD1 4.4Å; A1929-L1961 HydrophobicContact CB-CD2 3.93Å; A1929-L1961 HydrophobicContact CB-CG 3.78Å; C1957-L1961 WeakPolarHBondContact O-CB 3.24Å; C1957-L1961 WeakPolarHBondContact O-CG 3.44Å; C1957-L1961 PolarHBondContact O-N 3.15Å; C1957-L1961 VanDerWaalsContact O-N 3.11Å; R1958-L1961 PolarHBondContact O-N 3.28Å; Q1959-L1961 VanDerWaalsContact C-N 3.28Å; L1961-H1964 PolarHBondContact O-N 2.93Å; L1961-L1976 HydrophobicContact CD2-CD1 4.46Å
1962	S	79.2	Confident	71	Confident	73.8 Å²	73.8	66.4 Å²	66.4	52%	0.516	34%	0.343	S	S	.	.	H	α-helix	trans	-79.6	-34.1	-174.2	63.9	0	0	0	0	114.5	R1958 Q1959 L1960 H1964 Q1965	R1958-S1962 VanDerWaalsContact O-CB 3.31Å; R1958-S1962 WeakPolarHBondContact O-CB 3.39Å; R1958-S1962 PolarHBondContact O-N 3.13Å; R1958-S1962 PolarHBondContact O-OG 3.26Å; R1958-S1962 VanDerWaalsContact O-OG 3.06Å; Q1959-S1962 WeakPolarHBondContact CA-OG 3.17Å; Q1959-S1962 PolarHBondContact O-OG 3.28Å; L1960-S1962 PolarHBondContact O-N 3.15Å; S1962-H1964 VanDerWaalsContact C-N 3.27Å; S1962-H1964 PolarHBondContact O-N 3.06Å; S1962-Q1965 WeakPolarHBondContact O-CG 3.24Å
1963	K	66	Low	70.5	Confident	102 Å²	102	62.3 Å²	62.3	44%	0.443	32%	0.324	S	S	.	.	H	α-helix	trans	-70.5	-22.8	174.7	-68.7	169.3	-179.5	169.1	0	111.7	Q1959 Q1965 G2029 I2031	Q1959-K1963 HydrophobicContact CB-CD 4.37Å; Q1959-K1963 VanDerWaalsContact O-CB 3.25Å; Q1959-K1963 WeakPolarHBondContact O-CB 3.38Å; Q1959-K1963 WeakPolarHBondContact O-CD 3.39Å; Q1959-K1963 VanDerWaalsContact O-CG 3.26Å; Q1959-K1963 WeakPolarHBondContact O-CG 3.32Å; Q1959-K1963 PolarHBondContact O-N 3.3Å; K1963-Q1965 VanDerWaalsContact C-N 3.31Å; K1963-Q1965 PolarHBondContact O-N 3.36Å; K1963-Q1965 VanDerWaalsContact O-N 3.16Å; K1963-G2029 PolarHBondContact NZ-O 3.11Å; K1963-I2031 HydrophobicContact CB-CD1 3.98Å; K1963-I2031 HydrophobicContact CD-CD1 3.69Å; K1963-I2031 HydrophobicContact CD-CG1 4Å; K1963-I2031 HydrophobicContact CG-CD1 4.19Å
1964	H	59.9	Low	70.1	Confident	27.2 Å²	27.2	63.3 Å²	63.3	13%	0.126	33%	0.328	C	S	.	.			trans	-89.3	62.6	177.8	-111.2	-84.4	0	0	0	112.7	Q1927 L1960 L1961 S1962 L1966 L1976 C2022	Q1927-H1964 PolarHBondContact NE2-O 3.14Å; L1960-H1964 VanDerWaalsContact O-CB 3.24Å; L1960-H1964 WeakPolarHBondContact O-CB 3.26Å; L1960-H1964 PolarHBondContact O-CD2 3.2Å; L1960-H1964 VanDerWaalsContact O-CD2 3.26Å; L1960-H1964 PolarHBondContact O-N 3.35Å; L1961-H1964 PolarHBondContact O-N 2.93Å; S1962-H1964 VanDerWaalsContact C-N 3.27Å; S1962-H1964 PolarHBondContact O-N 3.06Å; H1964-L1966 HydrophobicContact CB-CD1 4.32Å; H1964-L1966 VanDerWaalsContact ND1-CD1 3.32Å; H1964-L1966 WeakPolarHBondContact ND1-CD1 3.44Å; H1964-L1966 WeakPolarHBondContact NE2-CD1 3.42Å; H1964-L1966 PolarHBondContact O-N 3.09Å; H1964-L1976 HydrophobicContact CB-CD1 4.09Å; H1964-L1976 HydrophobicContact CB-CD2 4.16Å; H1964-C2022 PolarHBondContact CE1-SG 3.24Å; H1964-C2022 PolarHBondContact NE2-SG 3.18Å
1965	Q	53.3	Low	69.9	Low	152.2 Å²	152.2	62.8 Å²	62.8	71%	0.711	33%	0.326	S	S	*	.			trans	-71.6	42.8	171.7	-68.5	-170.3	-24.1	0	0	113.6	S1962 K1963 N1967	S1962-Q1965 WeakPolarHBondContact O-CG 3.24Å; K1963-Q1965 VanDerWaalsContact C-N 3.31Å; K1963-Q1965 PolarHBondContact O-N 3.36Å; K1963-Q1965 VanDerWaalsContact O-N 3.16Å; Q1965-N1967 PolarHBondContact O-N 3.34Å
1966	L	51.5	Low	69.7	Low	74 Å²	74	58.7 Å²	58.7	39%	0.387	31%	0.307	S	S	.	.			trans	-80.6	52.4	-179.3	-77	135.3	0	0	0	112.2	H1964 H1968 L1969	H1964-L1966 HydrophobicContact CB-CD1 4.32Å; H1964-L1966 VanDerWaalsContact ND1-CD1 3.32Å; H1964-L1966 WeakPolarHBondContact ND1-CD1 3.44Å; H1964-L1966 WeakPolarHBondContact NE2-CD1 3.42Å; H1964-L1966 PolarHBondContact O-N 3.09Å; L1966-H1968 PolarHBondContact O-N 3.04Å; L1966-L1969 HydrophobicContact CB-CD1 4.33Å; L1966-L1969 HydrophobicContact CD2-CD1 4Å; L1966-L1969 HydrophobicContact CD2-CG 4.27Å; L1966-L1969 HydrophobicContact CG-CD1 4.38Å; L1966-L1969 PolarHBondContact O-N 2.97Å; L1966-L1969 VanDerWaalsContact O-N 3.11Å
1967	N	51.1	Low	69.6	Low	120.6 Å²	120.6	57.7 Å²	57.7	65%	0.645	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-13.8	170.1	-70.5	-13.5	0	0	0	112.9	Q1965 L1969 G1970 Y2397	Q1965-N1967 PolarHBondContact O-N 3.34Å; N1967-L1969 PolarHBondContact O-N 3.1Å; N1967-G1970 PolarHBondContact O-N 2.94Å; N1967-Y2397 PolarHBondContact OD1-OH 3.24Å
1968	H	49.7	Very low	69.3	Low	171.6 Å²	171.6	57.9 Å²	57.9	79%	0.794	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-14.4	177.6	-63.7	-72.9	0	0	0	114.7	L1966 G1970	L1966-H1968 PolarHBondContact O-N 3.04Å; H1968-G1970 VanDerWaalsContact C-N 3.26Å; H1968-G1970 PolarHBondContact O-N 3.31Å; H1968-G1970 VanDerWaalsContact O-N 3.14Å
1969	L	51.8	Low	68.8	Low	67.6 Å²	67.6	55.7 Å²	55.7	35%	0.354	30%	0.296	S	S	.	.	S	Bend	trans	-98	52.2	172.8	-68.2	160.4	0	0	0	110.9	L1966 N1967 S1971 Q1972 F1974 L2018	L1966-L1969 HydrophobicContact CB-CD1 4.33Å; L1966-L1969 HydrophobicContact CD2-CD1 4Å; L1966-L1969 HydrophobicContact CD2-CG 4.27Å; L1966-L1969 HydrophobicContact CG-CD1 4.38Å; L1966-L1969 PolarHBondContact O-N 2.97Å; L1966-L1969 VanDerWaalsContact O-N 3.11Å; N1967-L1969 PolarHBondContact O-N 3.1Å; L1969-S1971 PolarHBondContact O-N 3.34Å; L1969-Q1972 PolarHBondContact O-N 2.73Å; L1969-F1974 HydrophobicContact CB-CE1 4.32Å; L1969-F1974 HydrophobicContact CB-CE2 4.14Å; L1969-F1974 HydrophobicContact CB-CZ 3.62Å; L1969-F1974 HydrophobicContact CD1-CE1 3.93Å; L1969-F1974 HydrophobicContact CD1-CZ 3.84Å; L1969-F1974 HydrophobicContact CD2-CE1 4.07Å; L1969-F1974 HydrophobicContact CD2-CZ 3.73Å; L1969-F1974 HydrophobicContact CG-CZ 4.32Å; L1969-L2018 HydrophobicContact CD2-CD2 3.89Å
1970	G	50.9	Low	68.4	Low	45 Å²	45	56.5 Å²	56.5	46%	0.464	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	99.8	-176.1	0	0	0	0	0	114.2	I1723 N1967 H1968 Q1972	I1723-G1970 WeakPolarHBondContact CD1-O 3.28Å; N1967-G1970 PolarHBondContact O-N 2.94Å; H1968-G1970 VanDerWaalsContact C-N 3.26Å; H1968-G1970 PolarHBondContact O-N 3.31Å; H1968-G1970 VanDerWaalsContact O-N 3.14Å; G1970-Q1972 PolarHBondContact O-N 3.36Å
1971	S	58.6	Low	68.2	Low	72 Å²	72	56.5 Å²	56.5	50%	0.503	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	122.4	27.5	169.9	-50.4	0	0	0	0	116.1	Y1925 L1969	Y1925-S1971 VanDerWaalsContact CE1-O 3.28Å; Y1925-S1971 WeakPolarHBondContact CE1-O 3.38Å; Y1925-S1971 VanDerWaalsContact CZ-CA 3.43Å; Y1925-S1971 WeakPolarHBondContact OH-CB 3.38Å; Y1925-S1971 PolarHBondContact OH-O 3.35Å; L1969-S1971 PolarHBondContact O-N 3.34Å
1972	Q	67.5	Low	67.9	Low	90.2 Å²	90.2	57.5 Å²	57.5	42%	0.421	30%	0.304	S	S	.	.			trans	-135.5	158.9	178.3	-67.6	-175.5	-4.2	0	0	113.1	Y1925 L1969 G1970 F1974	Y1925-Q1972 WeakPolarHBondContact CD1-O 3.28Å; L1969-Q1972 PolarHBondContact O-N 2.73Å; G1970-Q1972 PolarHBondContact O-N 3.36Å; Q1972-F1974 HydrophobicContact CB-CE1 4.37Å; Q1972-F1974 HydrophobicContact CB-CE2 3.78Å; Q1972-F1974 HydrophobicContact CB-CZ 3.84Å; Q1972-F1974 VanDerWaalsContact O-CD2 3.32Å; Q1972-F1974 WeakPolarHBondContact O-CD2 3.39Å; Q1972-F1974 VanDerWaalsContact O-CE2 3.27Å; Q1972-F1974 WeakPolarHBondContact O-CE2 3.41Å
1973	H	75.1	Confident	67.7	Low	10.2 Å²	10.2	58.5 Å²	58.5	5%	0.047	31%	0.311	C	S	.	.			trans	-90.2	139.1	172.5	-62.7	-85.4	0	0	0	110.3	I1900 D1904 I1924 Y1925 V1926 Y2017	I1900-H1973 HydrophobicContact CD1-CB 4.37Å; I1900-H1973 HydrophobicContact CG1-CB 4.43Å; I1900-H1973 HydrophobicContact CG2-CB 4.18Å; D1904-H1973 IonicContact OD1-CD2 3.16Å; D1904-H1973 IonicContact OD1-CE1 3.99Å; D1904-H1973 IonicContact OD1-NE2 3.08Å; D1904-H1973 PolarHBondContact OD1-NE2 3Å; D1904-H1973 IonicContact OD2-CD2 2.87Å; D1904-H1973 PolarHBondContact OD2-CD2 3.46Å; D1904-H1973 IonicContact OD2-NE2 3.32Å; D1904-H1973 PolarHBondContact OD2-NE2 3.28Å; I1924-H1973 PolarHBondContact O-CE1 3.22Å; Y1925-H1973 AromaticContact CD1-CD2 3.95Å; Y1925-H1973 AromaticContact CD1-NE2 3.78Å; V1926-H1973 WeakPolarHBondContact CB-ND1 3.31Å; V1926-H1973 WeakPolarHBondContact CG2-ND1 3.39Å; V1926-H1973 PolarHBondContact N-ND1 3.04Å; V1926-H1973 VanDerWaalsContact N-ND1 3.16Å; V1926-H1973 CarbonylContact O-C 3.53Å; V1926-H1973 WeakPolarHBondContact O-CA 3.33Å; H1973-Y2017 HydrophobicContact CB-CD1 4.22Å
1974	F	78	Confident	67.8	Low	22 Å²	22	56.9 Å²	56.9	10%	0.096	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.7	-174.7	-69	-81.1	0	0	0	112.1	V1926 Q1927 A1928 L1969 Q1972 L2018	V1926-F1974 PolarHBondContact O-N 3.09Å; Q1927-F1974 WeakPolarHBondContact CA-O 3.36Å; Q1927-F1974 HydrophobicContact CG-CB 4.4Å; A1928-F1974 PolarHBondContact N-O 3Å; L1969-F1974 HydrophobicContact CB-CE1 4.32Å; L1969-F1974 HydrophobicContact CB-CE2 4.14Å; L1969-F1974 HydrophobicContact CB-CZ 3.62Å; L1969-F1974 HydrophobicContact CD1-CE1 3.93Å; L1969-F1974 HydrophobicContact CD1-CZ 3.84Å; L1969-F1974 HydrophobicContact CD2-CE1 4.07Å; L1969-F1974 HydrophobicContact CD2-CZ 3.73Å; L1969-F1974 HydrophobicContact CG-CZ 4.32Å; Q1972-F1974 HydrophobicContact CB-CE1 4.37Å; Q1972-F1974 HydrophobicContact CB-CE2 3.78Å; Q1972-F1974 HydrophobicContact CB-CZ 3.84Å; Q1972-F1974 VanDerWaalsContact O-CD2 3.32Å; Q1972-F1974 WeakPolarHBondContact O-CD2 3.39Å; Q1972-F1974 VanDerWaalsContact O-CE2 3.27Å; Q1972-F1974 WeakPolarHBondContact O-CE2 3.41Å; F1974-L2018 HydrophobicContact CD1-CB 4.15Å; F1974-L2018 HydrophobicContact CD1-CD2 4.07Å; F1974-L2018 HydrophobicContact CE1-CB 4.33Å; F1974-L2018 HydrophobicContact CE1-CD2 3.97Å; F1974-L2018 HydrophobicContact CE1-CG 4.2Å; F1974-L2018 HydrophobicContact CZ-CD2 4.39Å
1975	I	82.4	Confident	68.3	Low	14 Å²	14	56.2 Å²	56.2	7%	0.072	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.4	173.5	-61.3	168.3	0	0	0	108.5	I1896 I1900 A1928 L1930 L2014 F2019 T2020	I1896-I1975 HydrophobicContact CG2-CD1 3.85Å; I1896-I1975 HydrophobicContact CG2-CG1 4.04Å; I1900-I1975 HydrophobicContact CD1-CD1 3.65Å; I1900-I1975 HydrophobicContact CD1-CG1 3.95Å; A1928-I1975 HydrophobicContact CB-CG1 4.41Å; A1928-I1975 WeakPolarHBondContact O-CA 3.37Å; L1930-I1975 HydrophobicContact CD1-CG2 3.65Å; I1975-L2014 HydrophobicContact CD1-CD2 4.46Å; I1975-F2019 HydrophobicContact CB-CD1 4.13Å; I1975-F2019 HydrophobicContact CB-CE1 4.06Å; I1975-F2019 HydrophobicContact CD1-CD1 4.23Å; I1975-F2019 HydrophobicContact CD1-CE1 3.58Å; I1975-F2019 VanDerWaalsContact CD1-CE1 3.42Å; I1975-F2019 HydrophobicContact CD1-CE2 4.28Å; I1975-F2019 HydrophobicContact CD1-CZ 3.82Å; I1975-F2019 HydrophobicContact CG1-CE1 4.36Å; I1975-F2019 HydrophobicContact CG2-CD1 4.27Å; I1975-F2019 HydrophobicContact CG2-CE1 4.16Å; I1975-T2020 PolarHBondContact O-N 3.06Å; I1975-T2020 VanDerWaalsContact O-N 3.1Å
1976	L	83.6	Confident	68.9	Low	4.4 Å²	4.4	50.9 Å²	50.9	2%	0.023	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.9	176.4	-61.2	154.9	0	0	0	108.6	Q1927 A1928 A1929 L1930 L1960 L1961 H1964 T2020 C2022	Q1927-L1976 HydrophobicContact CG-CD1 4.15Å; A1928-L1976 PolarHBondContact O-N 3.26Å; A1929-L1976 CarbonylContact C-O 3.54Å; A1929-L1976 VanDerWaalsContact CA-O 3.31Å; A1929-L1976 WeakPolarHBondContact CA-O 3.39Å; A1929-L1976 HydrophobicContact CB-CB 4.45Å; L1930-L1976 WeakPolarHBondContact CB-O 3.23Å; L1930-L1976 VanDerWaalsContact CD1-O 3.28Å; L1930-L1976 WeakPolarHBondContact CD1-O 3.38Å; L1930-L1976 PolarHBondContact N-O 3.26Å; L1960-L1976 HydrophobicContact CB-CB 4.46Å; L1960-L1976 HydrophobicContact CB-CD1 4.27Å; L1960-L1976 HydrophobicContact CB-CD2 4.39Å; L1960-L1976 HydrophobicContact CD2-CB 4.33Å; L1960-L1976 HydrophobicContact CD2-CD2 4.2Å; L1961-L1976 HydrophobicContact CD2-CD1 4.46Å; H1964-L1976 HydrophobicContact CB-CD1 4.09Å; H1964-L1976 HydrophobicContact CB-CD2 4.16Å; L1976-T2020 HydrophobicContact CD2-CG2 4.21Å; L1976-C2022 HydrophobicContact CD2-CB 3.77Å
1977	A	82.5	Confident	69.3	Low	1.4 Å²	1.4	50.9 Å²	50.9	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	140	178.1	0	0	0	0	0	111.2	L1930 L1981 I1982 W2021 C2022	L1930-A1977 HydrophobicContact CB-CB 4.07Å; L1930-A1977 HydrophobicContact CD1-CB 4.35Å; L1930-A1977 HydrophobicContact CD2-CB 4.33Å; A1977-L1981 HydrophobicContact CB-CD2 4.27Å; A1977-I1982 HydrophobicContact CB-CD1 4.46Å; A1977-I1982 HydrophobicContact CB-CG1 4.36Å; A1977-W2021 HydrophobicContact CB-CE3 4Å; A1977-W2021 HydrophobicContact CB-CZ3 3.83Å; A1977-C2022 PolarHBondContact O-N 3.11Å
1978	T	81.4	Confident	69.5	Low	3.2 Å²	3.2	50.9 Å²	50.9	2%	0.02	29%	0.289	C	S	.	.			trans	-80	146.4	176.7	59.6	0	0	0	0	112.6	L1930 H1931 T1956 L1960 K1980 L1981 I1982 I2024	L1930-T1978 PolarHBondContact O-N 3Å; H1931-T1978 HydrophobicContact CB-CG2 4.3Å; H1931-T1978 VanDerWaalsContact ND1-CG2 3.3Å; H1931-T1978 WeakPolarHBondContact ND1-CG2 3.42Å; H1931-T1978 PolarHBondContact ND1-OG1 3.13Å; T1956-T1978 HydrophobicContact CG2-CG2 3.87Å; L1960-T1978 HydrophobicContact CD1-CG2 3.83Å; T1978-K1980 VanDerWaalsContact C-N 3.25Å; T1978-K1980 PolarHBondContact O-N 3.18Å; T1978-K1980 VanDerWaalsContact O-N 3.12Å; T1978-L1981 WeakPolarHBondContact O-CA 3.36Å; T1978-L1981 WeakPolarHBondContact O-CB 3.31Å; T1978-L1981 PolarHBondContact O-N 3.17Å; T1978-I1982 PolarHBondContact O-N 3.11Å; T1978-I1982 VanDerWaalsContact O-N 3.14Å; T1978-I2024 HydrophobicContact CG2-CD1 3.68Å; T1978-I2024 HydrophobicContact CG2-CG1 4.26Å
1979	D	75.1	Confident	69.8	Low	39.4 Å²	39.4	45.7 Å²	45.7	21%	0.211	27%	0.267	C	S	.	.	H	α-helix	trans	-44.6	-43.7	175.6	-55.4	-8.7	0	0	0	113.8	L1981 I1982 S1983 T2023 I2024 V2063	D1979-L1981 VanDerWaalsContact C-N 3.34Å; D1979-L1981 PolarHBondContact O-N 3.07Å; D1979-L1981 VanDerWaalsContact O-N 3.13Å; D1979-I1982 CarbonylContact O-C 3.55Å; D1979-I1982 WeakPolarHBondContact O-CA 3.31Å; D1979-I1982 WeakPolarHBondContact O-CB 3.39Å; D1979-I1982 PolarHBondContact O-N 3.09Å; D1979-S1983 WeakPolarHBondContact O-CB 3.32Å; D1979-S1983 PolarHBondContact O-N 3.02Å; D1979-S1983 PolarHBondContact O-OG 3.27Å; D1979-T2023 VanDerWaalsContact OD1-CA 3.24Å; D1979-T2023 WeakPolarHBondContact OD1-CA 3.33Å; D1979-T2023 WeakPolarHBondContact OD1-CB 3.43Å; D1979-T2023 VanDerWaalsContact OD1-CG2 3.3Å; D1979-T2023 WeakPolarHBondContact OD1-CG2 3.42Å; D1979-T2023 VanDerWaalsContact OD2-C 3.22Å; D1979-T2023 WeakPolarHBondContact OD2-CA 3.34Å; D1979-T2023 VanDerWaalsContact OD2-CB 3.26Å; D1979-T2023 WeakPolarHBondContact OD2-CB 3.36Å; D1979-T2023 WeakPolarHBondContact OD2-CG2 3.34Å; D1979-I2024 PolarHBondContact OD2-N 3.01Å; D1979-V2063 HydrophobicContact CB-CG2 4.32Å
1980	K	75.4	Confident	70.1	Confident	80.2 Å²	80.2	44.3 Å²	44.3	35%	0.349	26%	0.259	S	S	.	.	H	α-helix	trans	-57.1	-29.2	178.2	-174.4	-176.9	177.5	-161.9	0	113.6	H1931 S1932 E1952 T1978 S1983 L1984	H1931-K1980 PolarHBondContact NE2-NZ 3.03Å; H1931-K1980 VanDerWaalsContact NE2-NZ 3.16Å; S1932-K1980 VanDerWaalsContact O-CD 3.28Å; S1932-K1980 WeakPolarHBondContact O-CD 3.44Å; S1932-K1980 WeakPolarHBondContact O-CE 3.4Å; S1932-K1980 PolarHBondContact O-NZ 3Å; E1952-K1980 IonicContact OE1-NZ 3.27Å; E1952-K1980 PolarHBondContact OE1-NZ 3.35Å; E1952-K1980 IonicContact OE2-NZ 3.13Å; E1952-K1980 PolarHBondContact OE2-NZ 3.12Å; T1978-K1980 VanDerWaalsContact C-N 3.25Å; T1978-K1980 PolarHBondContact O-N 3.18Å; T1978-K1980 VanDerWaalsContact O-N 3.12Å; K1980-S1983 PolarHBondContact O-OG 3.09Å; K1980-L1984 VanDerWaalsContact O-CD1 3.29Å; K1980-L1984 WeakPolarHBondContact O-CD1 3.31Å; K1980-L1984 WeakPolarHBondContact O-CG 3.36Å
1981	L	78.1	Confident	69.8	Low	1.4 Å²	1.4	45.3 Å²	45.3	1%	0.007	25%	0.254	C	S	.	.	H	α-helix	trans	-86.8	-39.9	173.1	179.6	111.9	0	0	0	111	W1889 L1892 L1930 A1977 T1978 D1979 S1983 L1984 I1985	W1889-L1981 HydrophobicContact CD2-CD1 3.93Å; W1889-L1981 HydrophobicContact CE3-CD1 3.69Å; W1889-L1981 HydrophobicContact CE3-CG 4.37Å; W1889-L1981 HydrophobicContact CG-CD1 4.45Å; W1889-L1981 HydrophobicContact CH2-CD1 4.47Å; W1889-L1981 HydrophobicContact CZ3-CD1 4Å; L1892-L1981 HydrophobicContact CD2-CD1 4.12Å; L1892-L1981 HydrophobicContact CD2-CD2 4.04Å; L1930-L1981 HydrophobicContact CB-CD1 4.1Å; L1930-L1981 HydrophobicContact CB-CD2 3.77Å; L1930-L1981 HydrophobicContact CD1-CD2 4.47Å; L1930-L1981 HydrophobicContact CD2-CD1 4.1Å; L1930-L1981 HydrophobicContact CD2-CD2 3.96Å; L1930-L1981 HydrophobicContact CG-CD2 4.26Å; A1977-L1981 HydrophobicContact CB-CD2 4.27Å; T1978-L1981 WeakPolarHBondContact O-CA 3.36Å; T1978-L1981 WeakPolarHBondContact O-CB 3.31Å; T1978-L1981 PolarHBondContact O-N 3.17Å; D1979-L1981 VanDerWaalsContact C-N 3.34Å; D1979-L1981 PolarHBondContact O-N 3.07Å; D1979-L1981 VanDerWaalsContact O-N 3.13Å; L1981-S1983 VanDerWaalsContact C-N 3.3Å; L1981-S1983 PolarHBondContact O-N 3.11Å; L1981-L1984 WeakPolarHBondContact O-CB 3.34Å; L1981-L1984 PolarHBondContact O-N 3.23Å; L1981-L1984 VanDerWaalsContact O-N 3.1Å; L1981-I1985 HydrophobicContact CD2-CD1 3.84Å; L1981-I1985 HydrophobicContact CD2-CG1 4.45Å; L1981-I1985 HydrophobicContact CG-CD1 4.05Å; L1981-I1985 WeakPolarHBondContact O-CD1 3.38Å; L1981-I1985 WeakPolarHBondContact O-CG1 3.35Å; L1981-I1985 PolarHBondContact O-N 3Å
1982	I	74.9	Confident	69.2	Low	35.2 Å²	35.2	43.5 Å²	43.5	18%	0.181	24%	0.243	C	C	.	.	H	α-helix	trans	-58.8	-41.8	176.5	-56.5	171.4	0	0	0	110.7	A1977 T1978 D1979 L1984 I1985 L1990 W2021 T2023	A1977-I1982 HydrophobicContact CB-CD1 4.46Å; A1977-I1982 HydrophobicContact CB-CG1 4.36Å; T1978-I1982 PolarHBondContact O-N 3.11Å; T1978-I1982 VanDerWaalsContact O-N 3.14Å; D1979-I1982 CarbonylContact O-C 3.55Å; D1979-I1982 WeakPolarHBondContact O-CA 3.31Å; D1979-I1982 WeakPolarHBondContact O-CB 3.39Å; D1979-I1982 PolarHBondContact O-N 3.09Å; I1982-L1984 PolarHBondContact O-N 3.06Å; I1982-L1984 VanDerWaalsContact O-N 3.15Å; I1982-I1985 PolarHBondContact O-N 3.23Å; I1982-I1985 VanDerWaalsContact O-N 3.11Å; I1982-L1990 HydrophobicContact CG2-CD1 4.02Å; I1982-L1990 HydrophobicContact CG2-CD2 4.4Å; I1982-W2021 HydrophobicContact CD1-CB 4.46Å; I1982-W2021 HydrophobicContact CD1-CD2 4.3Å; I1982-W2021 HydrophobicContact CD1-CE3 3.58Å; I1982-W2021 HydrophobicContact CD1-CZ3 4.14Å; I1982-W2021 HydrophobicContact CG1-CE3 4.08Å; I1982-W2021 HydrophobicContact CG1-CZ3 4.13Å; I1982-T2023 HydrophobicContact CD1-CG2 4.41Å
1983	S	74	Confident	67.7	Low	95.4 Å²	95.4	42.6 Å²	42.6	67%	0.667	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-10.8	177	63.9	0	0	0	0	115	D1979 K1980 L1981	D1979-S1983 WeakPolarHBondContact O-CB 3.32Å; D1979-S1983 PolarHBondContact O-N 3.02Å; D1979-S1983 PolarHBondContact O-OG 3.27Å; K1980-S1983 PolarHBondContact O-OG 3.09Å; L1981-S1983 VanDerWaalsContact C-N 3.3Å; L1981-S1983 PolarHBondContact O-N 3.11Å
1984	L	69.4	Low	66	Low	67.4 Å²	67.4	46.3 Å²	46.3	35%	0.353	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-6.4	176.1	-63.8	172.4	0	0	0	112.6	W1889 S1932 K1980 L1981 I1982	W1889-L1984 VanDerWaalsContact CD1-O 3.31Å; W1889-L1984 HydrophobicContact CD2-CB 4.38Å; W1889-L1984 HydrophobicContact CD2-CD1 4.48Å; W1889-L1984 HydrophobicContact CG-CB 4.29Å; W1889-L1984 HydrophobicContact CH2-CD1 4.36Å; W1889-L1984 HydrophobicContact CZ2-CD1 3.9Å; S1932-L1984 WeakPolarHBondContact OG-CD1 3.38Å; K1980-L1984 VanDerWaalsContact O-CD1 3.29Å; K1980-L1984 WeakPolarHBondContact O-CD1 3.31Å; K1980-L1984 WeakPolarHBondContact O-CG 3.36Å; L1981-L1984 WeakPolarHBondContact O-CB 3.34Å; L1981-L1984 PolarHBondContact O-N 3.23Å; L1981-L1984 VanDerWaalsContact O-N 3.1Å; I1982-L1984 PolarHBondContact O-N 3.06Å; I1982-L1984 VanDerWaalsContact O-N 3.15Å
1985	I	69.8	Low	64.1	Low	13.8 Å²	13.8	48.3 Å²	48.3	7%	0.071	29%	0.288	C	S	.	.	S	Bend	trans	-90.8	128.6	177.4	-67	162.6	0	0	0	108.3	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 3.64Å; I1893-I1985 HydrophobicContact CD1-CG1 3.89Å; I1893-I1985 HydrophobicContact CD1-CG2 3.83Å; I1893-I1985 HydrophobicContact CG1-CD1 4.29Å; L1981-I1985 HydrophobicContact CD2-CD1 3.84Å; L1981-I1985 HydrophobicContact CD2-CG1 4.45Å; L1981-I1985 HydrophobicContact CG-CD1 4.05Å; L1981-I1985 WeakPolarHBondContact O-CD1 3.38Å; L1981-I1985 WeakPolarHBondContact O-CG1 3.35Å; L1981-I1985 PolarHBondContact O-N 3Å; I1982-I1985 PolarHBondContact O-N 3.23Å; I1982-I1985 VanDerWaalsContact O-N 3.11Å; I1985-L1989 HydrophobicContact CG2-CB 3.9Å; I1985-L1989 HydrophobicContact CG2-CD1 4.36Å; I1985-L1990 HydrophobicContact CB-CD1 4.26Å; I1985-L1990 HydrophobicContact CG2-CD1 4.01Å; I1985-L1990 HydrophobicContact CG2-CD2 4.37Å; I1985-L1990 HydrophobicContact CG2-CG 3.91Å
1986	P	66.7	Low	61.9	Low	40.6 Å²	40.6	50.8 Å²	50.8	26%	0.264	31%	0.311	S	S	.	.			trans	-67.1	138.8	176.9	29.5	-35.3	0	0	0	110.4	V1886 N1988 L1989	V1886-P1986 HydrophobicContact CG1-CG 3.93Å; P1986-N1988 VanDerWaalsContact CB-OD1 3.31Å; P1986-N1988 WeakPolarHBondContact CB-OD1 3.41Å; P1986-N1988 WeakPolarHBondContact CG-OD1 3.33Å; P1986-N1988 PolarHBondContact O-N 3.29Å; P1986-N1988 PolarHBondContact O-OD1 3.18Å; P1986-L1989 HydrophobicContact CG-CD1 4.14Å; P1986-L1989 HydrophobicContact CG-CG 4.45Å; P1986-L1989 PolarHBondContact O-N 3.1Å
1987	S	58.7	Low	59.5	Low	73.2 Å²	73.2	57.6 Å²	57.6	51%	0.512	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-57.5	-25.1	-170.2	-41.5	0	0	0	0	114.2	L1989 L1990 D1991	S1987-L1989 PolarHBondContact O-N 3.12Å; S1987-L1989 VanDerWaalsContact O-N 3.1Å; S1987-L1990 CarbonylContact O-C 3.57Å; S1987-L1990 WeakPolarHBondContact O-CA 3.35Å; S1987-L1990 PolarHBondContact O-N 3.05Å; S1987-D1991 VanDerWaalsContact CB-OD2 3.32Å; S1987-D1991 WeakPolarHBondContact CB-OD2 3.4Å; S1987-D1991 WeakPolarHBondContact O-CB 3.29Å; S1987-D1991 PolarHBondContact O-N 3.19Å
1988	N	55	Low	57.2	Low	121.6 Å²	121.6	64.8 Å²	64.8	65%	0.65	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-63.6	-13.3	175.6	68.3	-21.1	0	0	0	114.8	P1986	P1986-N1988 VanDerWaalsContact CB-OD1 3.31Å; P1986-N1988 WeakPolarHBondContact CB-OD1 3.41Å; P1986-N1988 WeakPolarHBondContact CG-OD1 3.33Å; P1986-N1988 PolarHBondContact O-N 3.29Å; P1986-N1988 PolarHBondContact O-OD1 3.18Å
1989	L	57	Low	54.9	Low	61.8 Å²	61.8	72.4 Å²	72.4	32%	0.324	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-97.1	-5.1	170.4	-66.8	175.8	0	0	0	113.5	S1890 I1893 I1985 P1986 S1987	S1890-L1989 VanDerWaalsContact OG-CD1 3.32Å; S1890-L1989 WeakPolarHBondContact OG-CD1 3.37Å; I1893-L1989 HydrophobicContact CD1-CD1 4.3Å; I1985-L1989 HydrophobicContact CG2-CB 3.9Å; I1985-L1989 HydrophobicContact CG2-CD1 4.36Å; P1986-L1989 HydrophobicContact CG-CD1 4.14Å; P1986-L1989 HydrophobicContact CG-CG 4.45Å; P1986-L1989 PolarHBondContact O-N 3.1Å; S1987-L1989 PolarHBondContact O-N 3.12Å; S1987-L1989 VanDerWaalsContact O-N 3.1Å
1990	L	57.5	Low	52.9	Low	37.2 Å²	37.2	77.5 Å²	77.5	20%	0.195	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-31	-179.6	-65.4	166.2	0	0	0	111.9	I1982 I1985 S1987 A1992 W2021 L2058 F2060	I1982-L1990 HydrophobicContact CG2-CD1 4.02Å; I1982-L1990 HydrophobicContact CG2-CD2 4.4Å; I1985-L1990 HydrophobicContact CB-CD1 4.26Å; I1985-L1990 HydrophobicContact CG2-CD1 4.01Å; I1985-L1990 HydrophobicContact CG2-CD2 4.37Å; I1985-L1990 HydrophobicContact CG2-CG 3.91Å; S1987-L1990 CarbonylContact O-C 3.57Å; S1987-L1990 WeakPolarHBondContact O-CA 3.35Å; S1987-L1990 PolarHBondContact O-N 3.05Å; L1990-A1992 PolarHBondContact O-N 3.26Å; L1990-A1992 VanDerWaalsContact O-N 3.14Å; L1990-W2021 HydrophobicContact CD2-CH2 4.08Å; L1990-W2021 HydrophobicContact CD2-CZ2 4.04Å; L1990-L2058 HydrophobicContact CB-CD2 4.28Å; L1990-L2058 WeakPolarHBondContact O-CD1 3.35Å; L1990-F2060 HydrophobicContact CD1-CE1 4.17Å
1991	D	45.2	Very low	50.9	Low	66.8 Å²	66.8	80.7 Å²	80.7	36%	0.357	47%	0.468	S	S	.	.			trans	-81.5	91.8	-176.4	-75.6	-43	0	0	0	112.8	S1987 S1993 S1994 R2039	S1987-D1991 VanDerWaalsContact CB-OD2 3.32Å; S1987-D1991 WeakPolarHBondContact CB-OD2 3.4Å; S1987-D1991 WeakPolarHBondContact O-CB 3.29Å; S1987-D1991 PolarHBondContact O-N 3.19Å; D1991-S1993 PolarHBondContact O-N 3.3Å; D1991-S1994 PolarHBondContact O-N 3.11Å; D1991-R2039 VanDerWaalsContact CG-NH2 3.3Å; D1991-R2039 IonicContact OD1-CZ 2.73Å; D1991-R2039 IonicContact OD1-NE 3.86Å; D1991-R2039 IonicContact OD1-NH1 3.97Å; D1991-R2039 PolarHBondContact OD1-NH1 2.86Å; D1991-R2039 IonicContact OD1-NH2 2.64Å; D1991-R2039 PolarHBondContact OD1-NH2 3.48Å; D1991-R2039 IonicContact OD2-CZ 3.02Å; D1991-R2039 IonicContact OD2-NH1 3.72Å; D1991-R2039 IonicContact OD2-NH2 3.53Å; D1991-R2039 PolarHBondContact OD2-NH2 2.75Å
1992	A	45.1	Very low	48.8	Very low	33.6 Å²	33.6	85 Å²	85	28%	0.278	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-7.3	173.2	0	0	0	0	0	115	L1990 T1995 N2015 R2056 L2058	L1990-A1992 PolarHBondContact O-N 3.26Å; L1990-A1992 VanDerWaalsContact O-N 3.14Å; A1992-T1995 PolarHBondContact O-OG1 3.21Å; A1992-N2015 VanDerWaalsContact CB-OD1 3.24Å; A1992-N2015 WeakPolarHBondContact CB-OD1 3.49Å; A1992-R2056 PolarHBondContact O-NH1 3.27Å; A1992-L2058 HydrophobicContact CB-CD1 4.14Å
1993	S	37.1	Very low	46.9	Very low	72.2 Å²	72.2	91.2 Å²	91.2	51%	0.505	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-23.4	-177.8	57.2	0	0	0	0	114.4	D1991 T1995 A1996	D1991-S1993 PolarHBondContact O-N 3.3Å; S1993-T1995 VanDerWaalsContact C-N 3.27Å; S1993-T1995 PolarHBondContact O-N 3.26Å; S1993-T1995 VanDerWaalsContact O-N 3.13Å; S1993-A1996 WeakPolarHBondContact O-CB 3.45Å; S1993-A1996 PolarHBondContact O-N 3.3Å; S1993-A1996 VanDerWaalsContact O-N 3.09Å
1994	S	38.3	Very low	45	Very low	87 Å²	87	94.6 Å²	94.6	61%	0.608	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-26.5	-172.6	-170.3	0	0	0	0	113.7	D1991 A1996	D1991-S1994 PolarHBondContact O-N 3.11Å; S1994-A1996 VanDerWaalsContact C-N 3.3Å; S1994-A1996 PolarHBondContact O-N 3Å
1995	T	37.8	Very low	43	Very low	64.2 Å²	64.2	101.7 Å²	101.7	39%	0.394	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	-14.5	176.5	45.5	0	0	0	0	114.2	A1992 S1993 N1997 L1998 N2012	A1992-T1995 PolarHBondContact O-OG1 3.21Å; S1993-T1995 VanDerWaalsContact C-N 3.27Å; S1993-T1995 PolarHBondContact O-N 3.26Å; S1993-T1995 VanDerWaalsContact O-N 3.13Å; T1995-N1997 VanDerWaalsContact C-N 3.32Å; T1995-N1997 PolarHBondContact O-N 3.06Å; T1995-L1998 PolarHBondContact O-N 3.05Å; T1995-N2012 WeakPolarHBondContact CG2-ND2 3.39Å; T1995-N2012 PolarHBondContact OG1-ND2 3.09Å; T1995-N2012 VanDerWaalsContact OG1-ND2 3.15Å
1996	A	36.2	Very low	41.2	Very low	67.2 Å²	67.2	105.8 Å²	105.8	56%	0.555	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-75.9	-25	-178.4	0	0	0	0	0	113.3	S1993 S1994 L1998 H1999	S1993-A1996 WeakPolarHBondContact O-CB 3.45Å; S1993-A1996 PolarHBondContact O-N 3.3Å; S1993-A1996 VanDerWaalsContact O-N 3.09Å; S1994-A1996 VanDerWaalsContact C-N 3.3Å; S1994-A1996 PolarHBondContact O-N 3Å; A1996-L1998 VanDerWaalsContact C-N 3.29Å; A1996-L1998 PolarHBondContact O-N 3.2Å; A1996-H1999 WeakPolarHBondContact O-CB 3.35Å; A1996-H1999 PolarHBondContact O-N 3.47Å
1997	N	34.5	Very low	39.5	Very low	147.6 Å²	147.6	110.4 Å²	110.4	79%	0.789	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-86.4	0.3	-176.7	-69.8	-17	0	0	0	114.2	T1995 H1999	T1995-N1997 VanDerWaalsContact C-N 3.32Å; T1995-N1997 PolarHBondContact O-N 3.06Å; N1997-H1999 VanDerWaalsContact C-N 3.35Å; N1997-H1999 PolarHBondContact O-N 3.2Å
1998	L	33.3	Very low	38.4	Very low	152.6 Å²	152.6	112.2 Å²	112.2	80%	0.799	63%	0.631	S	S	*	*	S	Bend	trans	-85.4	46.8	169.6	-103.4	161.4	0	0	0	110.9	T1995 A1996 L2000	T1995-L1998 PolarHBondContact O-N 3.05Å; A1996-L1998 VanDerWaalsContact C-N 3.29Å; A1996-L1998 PolarHBondContact O-N 3.2Å; L1998-L2000 PolarHBondContact O-N 3.32Å; L1998-L2000 VanDerWaalsContact O-N 3.07Å
1999	H	32.7	Very low	37.4	Very low	161 Å²	161	113.8 Å²	113.8	75%	0.745	64%	0.635	S	S	*	*			trans	-90.5	75.9	-172	-158.5	-69.5	0	0	0	112.4	A1996 N1997 N2001	A1996-H1999 WeakPolarHBondContact O-CB 3.35Å; A1996-H1999 PolarHBondContact O-N 3.47Å; N1997-H1999 VanDerWaalsContact C-N 3.35Å; N1997-H1999 PolarHBondContact O-N 3.2Å; H1999-N2001 PolarHBondContact O-N 2.94Å
2000	L	34.9	Very low	36.3	Very low	148.2 Å²	148.2	116.8 Å²	116.8	78%	0.776	65%	0.651	S	S	*	*			trans	-81.1	75	170.4	-81.9	163.9	0	0	0	112.5	L1998 A2002 V2008	L1998-L2000 PolarHBondContact O-N 3.32Å; L1998-L2000 VanDerWaalsContact O-N 3.07Å; L2000-A2002 HydrophobicContact CD2-CB 4.39Å; L2000-A2002 PolarHBondContact O-N 3.33Å; L2000-V2008 HydrophobicContact CD2-CG2 4.31Å
2001	N	32.4	Very low	35.4	Very low	147.4 Å²	147.4	118.8 Å²	118.8	79%	0.788	67%	0.668	S	S	*	*			trans	-91.1	98.3	160.6	-96.2	-29.6	0	0	0	108.6	H1999 N2003 Q2004	H1999-N2001 PolarHBondContact O-N 2.94Å; N2001-N2003 VanDerWaalsContact C-N 3.31Å; N2001-N2003 PolarHBondContact O-N 3.13Å; N2001-N2003 VanDerWaalsContact O-N 3.07Å; N2001-Q2004 PolarHBondContact O-N 3.34Å
2002	A	34	Very low	35.3	Very low	91.8 Å²	91.8	118.9 Å²	118.9	76%	0.759	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	82.5	-172.3	0	0	0	0	0	112.7	L2000	L2000-A2002 HydrophobicContact CD2-CB 4.39Å; L2000-A2002 PolarHBondContact O-N 3.33Å
2003	N	34.2	Very low	35.2	Very low	163.8 Å²	163.8	120.6 Å²	120.6	88%	0.876	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-163.6	19.4	166	-83	-28.6	0	0	0	115.5	N2001	N2001-N2003 VanDerWaalsContact C-N 3.31Å; N2001-N2003 PolarHBondContact O-N 3.13Å; N2001-N2003 VanDerWaalsContact O-N 3.07Å
2004	Q	34.3	Very low	35.6	Very low	168.6 Å²	168.6	119.5 Å²	119.5	79%	0.788	66%	0.661	S	S	*	*			trans	-124.6	120	166.2	-88.6	179.6	7.6	0	0	111.9	N2001 T2006	N2001-Q2004 PolarHBondContact O-N 3.34Å; Q2004-T2006 PolarHBondContact O-N 3.24Å
2005	K	27.3	Very low	35.8	Very low	216.4 Å²	216.4	119.6 Å²	119.6	94%	0.941	65%	0.654	S	S	*	*			trans	-89.5	71.4	-179.4	-173	-172.8	175.1	-177.8	0	110.3
2006	T	32.6	Very low	36.2	Very low	99.8 Å²	99.8	122.7 Å²	122.7	61%	0.612	67%	0.665	S	S	*	*			trans	-121.1	134	177	44.8	0	0	0	0	110.8	Q2004 V2008	Q2004-T2006 PolarHBondContact O-N 3.24Å; T2006-V2008 VanDerWaalsContact C-N 3.32Å; T2006-V2008 PolarHBondContact O-N 3.23Å; T2006-V2008 VanDerWaalsContact O-N 3.1Å
2007	T	31.2	Very low	36.8	Very low	137 Å²	137	122.6 Å²	122.6	84%	0.84	65%	0.65	S	S	*	*			trans	-66.6	99.9	-177.2	32.7	0	0	0	0	112.6	E2009	T2007-E2009 PolarHBondContact O-N 3.45Å
2008	V	34.9	Very low	37.4	Very low	111.2 Å²	111.2	118.3 Å²	118.3	67%	0.674	63%	0.627	S	S	*	*			trans	-102.9	94	170.6	-175.1	0	0	0	0	109.3	L2000 T2006 N2010	L2000-V2008 HydrophobicContact CD2-CG2 4.31Å; T2006-V2008 VanDerWaalsContact C-N 3.32Å; T2006-V2008 PolarHBondContact O-N 3.23Å; T2006-V2008 VanDerWaalsContact O-N 3.1Å; V2008-N2010 PolarHBondContact O-N 2.96Å
2009	E	33.9	Very low	38.3	Very low	155.4 Å²	155.4	113.2 Å²	113.2	73%	0.726	60%	0.598	S	S	*	*			trans	-95.3	109.1	176	-62.7	-171.2	151.3	0	0	110.3	S1837 T2007 S2011 N2012	S1837-E2009 VanDerWaalsContact CB-OE1 3.23Å; S1837-E2009 WeakPolarHBondContact CB-OE1 3.41Å; S1837-E2009 WeakPolarHBondContact CB-OE2 3.24Å; S1837-E2009 VanDerWaalsContact OG-CD 3.22Å; S1837-E2009 PolarHBondContact OG-OE1 2.84Å; S1837-E2009 PolarHBondContact OG-OE2 3.09Å; T2007-E2009 PolarHBondContact O-N 3.45Å; E2009-S2011 VanDerWaalsContact C-N 3.32Å; E2009-S2011 WeakPolarHBondContact CB-OG 3.28Å; E2009-S2011 PolarHBondContact O-N 3.12Å; E2009-S2011 PolarHBondContact O-OG 3.16Å; E2009-S2011 PolarHBondContact OE2-OG 3.14Å; E2009-N2012 PolarHBondContact O-N 3.1Å; E2009-N2012 VanDerWaalsContact O-N 3.16Å
2010	N	35.5	Very low	39.2	Very low	123.8 Å²	123.8	107 Å²	107	66%	0.662	57%	0.572	S	S	*	*			trans	-134	19.4	176.1	-90.6	-35	0	0	0	114.6	S1837 V2008 N2012 L2013	S1837-N2010 WeakPolarHBondContact CB-ND2 3.34Å; S1837-N2010 PolarHBondContact OG-ND2 3.15Å; V2008-N2010 PolarHBondContact O-N 2.96Å; N2010-N2012 PolarHBondContact O-N 3.24Å; N2010-L2013 PolarHBondContact O-N 3.32Å
2011	S	37.3	Very low	40.1	Very low	80.2 Å²	80.2	101.7 Å²	101.7	56%	0.561	54%	0.541	S	S	*	.	S	Bend	trans	-92.9	93.3	178.7	50.3	0	0	0	0	113.7	E2009 L2013	E2009-S2011 VanDerWaalsContact C-N 3.32Å; E2009-S2011 WeakPolarHBondContact CB-OG 3.28Å; E2009-S2011 PolarHBondContact O-N 3.12Å; E2009-S2011 PolarHBondContact O-OG 3.16Å; E2009-S2011 PolarHBondContact OE2-OG 3.14Å; S2011-L2013 PolarHBondContact O-N 3.44Å
2012	N	43	Very low	41.1	Very low	67.6 Å²	67.6	95.1 Å²	95.1	36%	0.361	51%	0.507	S	S	.	.			trans	69.6	45.5	174.2	-63.1	-29.6	0	0	0	115.1	T1995 E2009 N2010 L2014 N2015 Q2016	T1995-N2012 WeakPolarHBondContact CG2-ND2 3.39Å; T1995-N2012 PolarHBondContact OG1-ND2 3.09Å; T1995-N2012 VanDerWaalsContact OG1-ND2 3.15Å; E2009-N2012 PolarHBondContact O-N 3.1Å; E2009-N2012 VanDerWaalsContact O-N 3.16Å; N2010-N2012 PolarHBondContact O-N 3.24Å; N2012-L2014 PolarHBondContact O-N 3.12Å; N2012-L2014 VanDerWaalsContact O-N 3.15Å; N2012-N2015 VanDerWaalsContact CB-ND2 3.3Å; N2012-N2015 WeakPolarHBondContact CB-ND2 3.37Å; N2012-N2015 PolarHBondContact O-N 3.3Å; N2012-N2015 VanDerWaalsContact O-N 3.1Å; N2012-N2015 PolarHBondContact O-ND2 3.48Å; N2012-N2015 VanDerWaalsContact O-ND2 3.1Å; N2012-Q2016 WeakPolarHBondContact O-CG 3.43Å; N2012-Q2016 PolarHBondContact O-NE2 3.37Å
2013	L	44.6	Very low	41.9	Very low	69.8 Å²	69.8	91.2 Å²	91.2	37%	0.365	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-63.5	-28.4	171.5	-85.5	168.6	0	0	0	112.8	E1897 V1901 N2010 S2011 N2015 Q2016 Y2017	E1897-L2013 PolarHBondContact OE1-N 2.94Å; V1901-L2013 HydrophobicContact CG2-CD1 4.01Å; N2010-L2013 PolarHBondContact O-N 3.32Å; S2011-L2013 PolarHBondContact O-N 3.44Å; L2013-N2015 VanDerWaalsContact C-N 3.29Å; L2013-N2015 PolarHBondContact O-N 3.19Å; L2013-N2015 VanDerWaalsContact O-N 3.12Å; L2013-Q2016 PolarHBondContact O-N 3.17Å; L2013-Q2016 VanDerWaalsContact O-N 3.11Å; L2013-Y2017 HydrophobicContact CB-CE2 4.46Å; L2013-Y2017 VanDerWaalsContact O-CD2 3.3Å; L2013-Y2017 WeakPolarHBondContact O-CD2 3.47Å; L2013-Y2017 VanDerWaalsContact O-CE2 3.27Å; L2013-Y2017 WeakPolarHBondContact O-CE2 3.38Å
2014	L	44.9	Very low	42.9	Very low	48.2 Å²	48.2	85.1 Å²	85.1	25%	0.252	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-45.4	-40.8	172	-76.7	153.4	0	0	0	112.9	I1893 E1897 I1975 N2012 Q2016 Y2017 F2019	I1893-L2014 HydrophobicContact CG2-CD1 4.04Å; I1893-L2014 HydrophobicContact CG2-CD2 4.33Å; E1897-L2014 HydrophobicContact CB-CD2 4.39Å; E1897-L2014 HydrophobicContact CB-CG 4.38Å; E1897-L2014 HydrophobicContact CG-CD2 4.37Å; E1897-L2014 HydrophobicContact CG-CG 4.28Å; E1897-L2014 WeakPolarHBondContact OE1-CD1 3.27Å; E1897-L2014 WeakPolarHBondContact OE1-CG 3.4Å; E1897-L2014 PolarHBondContact OE1-N 2.75Å; I1975-L2014 HydrophobicContact CD1-CD2 4.46Å; N2012-L2014 PolarHBondContact O-N 3.12Å; N2012-L2014 VanDerWaalsContact O-N 3.15Å; L2014-Q2016 VanDerWaalsContact C-N 3.25Å; L2014-Q2016 PolarHBondContact O-N 3.29Å; L2014-Q2016 VanDerWaalsContact O-N 3.11Å; L2014-Y2017 PolarHBondContact O-N 3.03Å; L2014-Y2017 VanDerWaalsContact O-N 3.11Å; L2014-F2019 HydrophobicContact CB-CE2 4.12Å; L2014-F2019 HydrophobicContact CB-CZ 3.99Å; L2014-F2019 HydrophobicContact CD2-CE1 3.9Å; L2014-F2019 HydrophobicContact CD2-CE2 4Å; L2014-F2019 HydrophobicContact CD2-CZ 3.65Å; L2014-F2019 HydrophobicContact CG-CE2 3.96Å; L2014-F2019 HydrophobicContact CG-CZ 4.11Å; L2014-F2019 WeakPolarHBondContact O-CD2 3.42Å; L2014-F2019 VanDerWaalsContact O-CE2 3.26Å; L2014-F2019 WeakPolarHBondContact O-CE2 3.37Å; L2014-F2019 WeakPolarHBondContact O-CZ 3.43Å
2015	N	41.8	Very low	43.5	Very low	89.2 Å²	89.2	78.8 Å²	78.8	48%	0.477	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-65.8	-9.1	-176.6	-72.1	-29.3	0	0	0	115.2	A1992 N2012 L2013	A1992-N2015 VanDerWaalsContact CB-OD1 3.24Å; A1992-N2015 WeakPolarHBondContact CB-OD1 3.49Å; N2012-N2015 VanDerWaalsContact CB-ND2 3.3Å; N2012-N2015 WeakPolarHBondContact CB-ND2 3.37Å; N2012-N2015 PolarHBondContact O-N 3.3Å; N2012-N2015 VanDerWaalsContact O-N 3.1Å; N2012-N2015 PolarHBondContact O-ND2 3.48Å; N2012-N2015 VanDerWaalsContact O-ND2 3.1Å; L2013-N2015 VanDerWaalsContact C-N 3.29Å; L2013-N2015 PolarHBondContact O-N 3.19Å; L2013-N2015 VanDerWaalsContact O-N 3.12Å
2016	Q	47.4	Very low	44.6	Very low	130.4 Å²	130.4	73.4 Å²	73.4	61%	0.609	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-93.9	-13.4	178.4	-78	-178.7	20.5	0	0	113.9	N2012 L2013 L2014	N2012-Q2016 WeakPolarHBondContact O-CG 3.43Å; N2012-Q2016 PolarHBondContact O-NE2 3.37Å; L2013-Q2016 PolarHBondContact O-N 3.17Å; L2013-Q2016 VanDerWaalsContact O-N 3.11Å; L2014-Q2016 VanDerWaalsContact C-N 3.25Å; L2014-Q2016 PolarHBondContact O-N 3.29Å; L2014-Q2016 VanDerWaalsContact O-N 3.11Å
2017	Y	48.9	Very low	45.3	Very low	65.6 Å²	65.6	73 Å²	73	26%	0.257	40%	0.401	S	S	.	.	S	Bend	trans	-106.5	140.3	-175.6	-58.5	-75.5	0	0	0	112.6	I1900 D1904 H1973 L2013 L2014 F2019	I1900-Y2017 HydrophobicContact CG2-CD1 3.8Å; I1900-Y2017 HydrophobicContact CG2-CD2 4.34Å; I1900-Y2017 HydrophobicContact CG2-CE1 3.39Å; I1900-Y2017 VanDerWaalsContact CG2-CE1 3.48Å; I1900-Y2017 HydrophobicContact CG2-CE2 4.07Å; I1900-Y2017 HydrophobicContact CG2-CG 4.3Å; I1900-Y2017 VanDerWaalsContact CG2-CZ 3.45Å; D1904-Y2017 WeakPolarHBondContact OD2-CE1 3.17Å; D1904-Y2017 PolarHBondContact OD2-OH 3.1Å; H1973-Y2017 HydrophobicContact CB-CD1 4.22Å; L2013-Y2017 HydrophobicContact CB-CE2 4.46Å; L2013-Y2017 VanDerWaalsContact O-CD2 3.3Å; L2013-Y2017 WeakPolarHBondContact O-CD2 3.47Å; L2013-Y2017 VanDerWaalsContact O-CE2 3.27Å; L2013-Y2017 WeakPolarHBondContact O-CE2 3.38Å; L2014-Y2017 PolarHBondContact O-N 3.03Å; L2014-Y2017 VanDerWaalsContact O-N 3.11Å; Y2017-F2019 VanDerWaalsContact C-N 3.33Å; Y2017-F2019 WeakPolarHBondContact O-CD2 3.33Å; Y2017-F2019 WeakPolarHBondContact O-CE2 3.49Å; Y2017-F2019 PolarHBondContact O-N 3.44Å; Y2017-F2019 VanDerWaalsContact O-N 3.15Å
2018	L	46.6	Very low	46.4	Very low	56.4 Å²	56.4	71.7 Å²	71.7	30%	0.295	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	74.4	-175.4	-164.6	64.9	0	0	0	112.1	L1969 F1974 T2020 L2057 V2063 N2066	L1969-L2018 HydrophobicContact CD2-CD2 3.89Å; F1974-L2018 HydrophobicContact CD1-CB 4.15Å; F1974-L2018 HydrophobicContact CD1-CD2 4.07Å; F1974-L2018 HydrophobicContact CE1-CB 4.33Å; F1974-L2018 HydrophobicContact CE1-CD2 3.97Å; F1974-L2018 HydrophobicContact CE1-CG 4.2Å; F1974-L2018 HydrophobicContact CZ-CD2 4.39Å; L2018-T2020 PolarHBondContact O-N 3.2Å; L2018-T2020 PolarHBondContact O-OG1 2.91Å; L2018-T2020 VanDerWaalsContact O-OG1 3.1Å; L2018-L2057 HydrophobicContact CD1-CD1 4.13Å; L2018-V2063 HydrophobicContact CG-CG1 4.48Å; L2018-N2066 HydrophobicContact CD1-CB 4.47Å; L2018-N2066 WeakPolarHBondContact CD1-ND2 3.28Å
2019	F	52.6	Low	47.2	Very low	45.8 Å²	45.8	68.3 Å²	68.3	20%	0.201	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	111.3	174	-64.6	-76.6	0	0	0	111.4	I1975 L2014 Y2017 W2021 L2057 C2061 V2063	I1975-F2019 HydrophobicContact CB-CD1 4.13Å; I1975-F2019 HydrophobicContact CB-CE1 4.06Å; I1975-F2019 HydrophobicContact CD1-CD1 4.23Å; I1975-F2019 HydrophobicContact CD1-CE1 3.58Å; I1975-F2019 VanDerWaalsContact CD1-CE1 3.42Å; I1975-F2019 HydrophobicContact CD1-CE2 4.28Å; I1975-F2019 HydrophobicContact CD1-CZ 3.82Å; I1975-F2019 HydrophobicContact CG1-CE1 4.36Å; I1975-F2019 HydrophobicContact CG2-CD1 4.27Å; I1975-F2019 HydrophobicContact CG2-CE1 4.16Å; L2014-F2019 HydrophobicContact CB-CE2 4.12Å; L2014-F2019 HydrophobicContact CB-CZ 3.99Å; L2014-F2019 HydrophobicContact CD2-CE1 3.9Å; L2014-F2019 HydrophobicContact CD2-CE2 4Å; L2014-F2019 HydrophobicContact CD2-CZ 3.65Å; L2014-F2019 HydrophobicContact CG-CE2 3.96Å; L2014-F2019 HydrophobicContact CG-CZ 4.11Å; L2014-F2019 WeakPolarHBondContact O-CD2 3.42Å; L2014-F2019 VanDerWaalsContact O-CE2 3.26Å; L2014-F2019 WeakPolarHBondContact O-CE2 3.37Å; L2014-F2019 WeakPolarHBondContact O-CZ 3.43Å; Y2017-F2019 VanDerWaalsContact C-N 3.33Å; Y2017-F2019 WeakPolarHBondContact O-CD2 3.33Å; Y2017-F2019 WeakPolarHBondContact O-CE2 3.49Å; Y2017-F2019 PolarHBondContact O-N 3.44Å; Y2017-F2019 VanDerWaalsContact O-N 3.15Å; F2019-W2021 HydrophobicContact CB-CD2 4.42Å; F2019-W2021 HydrophobicContact CB-CZ2 3.91Å; F2019-W2021 AromaticContact CD1-CH2 3.75Å; F2019-W2021 HydrophobicContact CD1-CH2 3.92Å; F2019-W2021 AromaticContact CD1-CZ2 3.76Å; F2019-W2021 HydrophobicContact CD1-CZ2 3.76Å; F2019-W2021 VanDerWaalsContact CD1-CZ2 3.41Å; F2019-W2021 HydrophobicContact CD1-CZ3 4.22Å; F2019-W2021 AromaticContact CE1-CH2 3.96Å; F2019-W2021 HydrophobicContact CE1-CH2 3.96Å; F2019-W2021 HydrophobicContact CE1-CZ2 4.32Å; F2019-W2021 HydrophobicContact CG-CH2 4.42Å; F2019-W2021 AromaticContact CG-CZ2 3.87Å; F2019-W2021 HydrophobicContact CG-CZ2 4.02Å; F2019-W2021 PolarHBondContact O-N 3.48Å; F2019-L2057 WeakPolarHBondContact O-CB 3.37Å; F2019-L2057 VanDerWaalsContact O-CD1 3.25Å; F2019-L2057 WeakPolarHBondContact O-CD1 3.38Å; F2019-C2061 WeakPolarHBondContact CA-SG 3.49Å; F2019-V2063 HydrophobicContact CD1-CG2 4.35Å; F2019-V2063 HydrophobicContact CE1-CG1 4.17Å; F2019-V2063 HydrophobicContact CE1-CG2 3.96Å
2020	T	51.2	Low	47.9	Very low	29.6 Å²	29.6	67.7 Å²	67.7	18%	0.182	37%	0.371	C	S	.	.			trans	-105.6	91.3	172.1	-56.4	0	0	0	0	108.6	I1975 L1976 L2018 C2022 L2033 C2061	I1975-T2020 PolarHBondContact O-N 3.06Å; I1975-T2020 VanDerWaalsContact O-N 3.1Å; L1976-T2020 HydrophobicContact CD2-CG2 4.21Å; L2018-T2020 PolarHBondContact O-N 3.2Å; L2018-T2020 PolarHBondContact O-OG1 2.91Å; L2018-T2020 VanDerWaalsContact O-OG1 3.1Å; T2020-C2022 PolarHBondContact O-N 3.26Å; T2020-L2033 HydrophobicContact CG2-CD1 3.71Å; T2020-L2033 HydrophobicContact CG2-CD2 3.78Å; T2020-C2061 PolarHBondContact N-SG 3.19Å; T2020-C2061 PolarHBondContact O-SG 3.13Å
2021	W	54.5	Low	48.7	Very low	36.8 Å²	36.8	63.8 Å²	63.8	14%	0.139	35%	0.35	C	S	.	.			trans	-73.1	121.4	178.7	-56.8	104.3	0	0	0	110.7	A1977 I1982 L1990 F2019 S2034 L2057 L2058 H2059 C2061	A1977-W2021 HydrophobicContact CB-CE3 4Å; A1977-W2021 HydrophobicContact CB-CZ3 3.83Å; I1982-W2021 HydrophobicContact CD1-CB 4.46Å; I1982-W2021 HydrophobicContact CD1-CD2 4.3Å; I1982-W2021 HydrophobicContact CD1-CE3 3.58Å; I1982-W2021 HydrophobicContact CD1-CZ3 4.14Å; I1982-W2021 HydrophobicContact CG1-CE3 4.08Å; I1982-W2021 HydrophobicContact CG1-CZ3 4.13Å; L1990-W2021 HydrophobicContact CD2-CH2 4.08Å; L1990-W2021 HydrophobicContact CD2-CZ2 4.04Å; F2019-W2021 HydrophobicContact CB-CD2 4.42Å; F2019-W2021 HydrophobicContact CB-CZ2 3.91Å; F2019-W2021 AromaticContact CD1-CH2 3.75Å; F2019-W2021 HydrophobicContact CD1-CH2 3.92Å; F2019-W2021 AromaticContact CD1-CZ2 3.76Å; F2019-W2021 HydrophobicContact CD1-CZ2 3.76Å; F2019-W2021 VanDerWaalsContact CD1-CZ2 3.41Å; F2019-W2021 HydrophobicContact CD1-CZ3 4.22Å; F2019-W2021 AromaticContact CE1-CH2 3.96Å; F2019-W2021 HydrophobicContact CE1-CH2 3.96Å; F2019-W2021 HydrophobicContact CE1-CZ2 4.32Å; F2019-W2021 HydrophobicContact CG-CH2 4.42Å; F2019-W2021 AromaticContact CG-CZ2 3.87Å; F2019-W2021 HydrophobicContact CG-CZ2 4.02Å; F2019-W2021 PolarHBondContact O-N 3.48Å; W2021-S2034 WeakPolarHBondContact CB-OG 3.48Å; W2021-S2034 VanDerWaalsContact O-CB 3.29Å; W2021-S2034 WeakPolarHBondContact O-CB 3.46Å; W2021-S2034 PolarHBondContact O-N 2.94Å; W2021-S2034 PolarHBondContact O-OG 2.95Å; W2021-L2057 PolarHBondContact NE1-O 2.97Å; W2021-L2058 HydrophobicContact CZ2-CD2 4.02Å; W2021-H2059 HydrophobicContact CE3-CB 4.46Å; W2021-C2061 HydrophobicContact CD2-CB 3.86Å; W2021-C2061 HydrophobicContact CE3-CB 3.6Å; W2021-C2061 HydrophobicContact CG-CB 4.48Å; W2021-C2061 HydrophobicContact CH2-CB 4.41Å; W2021-C2061 HydrophobicContact CZ3-CB 3.89Å
2022	C	52.8	Low	49.5	Very low	10.2 Å²	10.2	62.2 Å²	62.2	7%	0.069	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.9	-174.8	-74.4	0	0	0	0	110.5	L1960 H1964 L1976 A1977 T2020 I2024 I2031 S2034 H2059 F2060	L1960-C2022 HydrophobicContact CD2-CB 3.87Å; H1964-C2022 PolarHBondContact CE1-SG 3.24Å; H1964-C2022 PolarHBondContact NE2-SG 3.18Å; L1976-C2022 HydrophobicContact CD2-CB 3.77Å; A1977-C2022 PolarHBondContact O-N 3.11Å; T2020-C2022 PolarHBondContact O-N 3.26Å; C2022-I2024 PolarHBondContact O-N 2.89Å; C2022-I2031 HydrophobicContact CB-CG2 3.67Å; C2022-S2034 PolarHBondContact O-OG 3.23Å; C2022-H2059 CarbonylContact O-C 3.58Å; C2022-H2059 VanDerWaalsContact O-CA 3.29Å; C2022-H2059 WeakPolarHBondContact O-CA 3.48Å; C2022-F2060 HydrophobicContact CB-CD1 4.43Å; C2022-F2060 HydrophobicContact CB-CD2 3.96Å; C2022-F2060 HydrophobicContact CB-CE1 4.04Å; C2022-F2060 HydrophobicContact CB-CE2 3.52Å; C2022-F2060 HydrophobicContact CB-CG 4.4Å; C2022-F2060 HydrophobicContact CB-CZ 3.56Å; C2022-F2060 PolarHBondContact N-O 2.94Å; C2022-F2060 PolarHBondContact O-N 2.96Å
2023	T	51.4	Low	49.8	Very low	10.4 Å²	10.4	62.1 Å²	62.1	6%	0.064	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	144.8	176	83.3	0	0	0	0	110.1	D1979 I1982 I2031 I2032 L2037 L2058 C2061	D1979-T2023 VanDerWaalsContact OD1-CA 3.24Å; D1979-T2023 WeakPolarHBondContact OD1-CA 3.33Å; D1979-T2023 WeakPolarHBondContact OD1-CB 3.43Å; D1979-T2023 VanDerWaalsContact OD1-CG2 3.3Å; D1979-T2023 WeakPolarHBondContact OD1-CG2 3.42Å; D1979-T2023 VanDerWaalsContact OD2-C 3.22Å; D1979-T2023 WeakPolarHBondContact OD2-CA 3.34Å; D1979-T2023 VanDerWaalsContact OD2-CB 3.26Å; D1979-T2023 WeakPolarHBondContact OD2-CB 3.36Å; D1979-T2023 WeakPolarHBondContact OD2-CG2 3.34Å; I1982-T2023 HydrophobicContact CD1-CG2 4.41Å; T2023-I2031 CarbonylContact O-C 3.56Å; T2023-I2031 VanDerWaalsContact O-CA 3.28Å; T2023-I2031 WeakPolarHBondContact O-CA 3.33Å; T2023-I2031 WeakPolarHBondContact O-CG2 3.41Å; T2023-I2032 HydrophobicContact CG2-CD1 4.22Å; T2023-I2032 HydrophobicContact CG2-CG1 3.75Å; T2023-I2032 PolarHBondContact N-O 3.24Å; T2023-I2032 PolarHBondContact O-N 3.1Å; T2023-I2032 PolarHBondContact OG1-O 3.13Å; T2023-I2032 VanDerWaalsContact OG1-O 3.07Å; T2023-L2037 HydrophobicContact CG2-CB 4.4Å; T2023-L2037 HydrophobicContact CG2-CD2 4.5Å; T2023-L2058 PolarHBondContact OG1-O 3.35Å; T2023-C2061 HydrophobicContact CG2-CB 4.28Å
2024	I	54	Low	50	Low	35.6 Å²	35.6	59.8 Å²	59.8	18%	0.183	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.9	174	-54.8	-176.9	0	0	0	108	T1956 L1960 T1978 D1979 C2022 P2026 I2031 F2060	T1956-I2024 HydrophobicContact CG2-CD1 3.56Å; L1960-I2024 HydrophobicContact CD1-CD1 4.37Å; L1960-I2024 HydrophobicContact CD2-CD1 4Å; L1960-I2024 HydrophobicContact CD2-CG1 3.98Å; L1960-I2024 HydrophobicContact CG-CD1 4.26Å; T1978-I2024 HydrophobicContact CG2-CD1 3.68Å; T1978-I2024 HydrophobicContact CG2-CG1 4.26Å; D1979-I2024 PolarHBondContact OD2-N 3.01Å; C2022-I2024 PolarHBondContact O-N 2.89Å; I2024-P2026 VanDerWaalsContact O-CD 3.27Å; I2024-P2026 WeakPolarHBondContact O-CD 3.24Å; I2024-I2031 HydrophobicContact CD1-CD1 4.43Å; I2024-I2031 HydrophobicContact CD1-CG1 4.34Å; I2024-I2031 HydrophobicContact CG1-CG1 4.13Å; I2024-I2031 HydrophobicContact CG1-CG2 4.44Å; I2024-F2060 HydrophobicContact CG1-CE1 4.21Å
2025	D	47.9	Very low	50	Low	36.4 Å²	36.4	62 Å²	62	20%	0.195	34%	0.339	C	S	.	.			trans	-72.6	114.4	172.9	177.3	-5	0	0	0	109.7	S2027 N2028 G2029 K2030 I2032	D2025-S2027 VanDerWaalsContact CG-OG 3.26Å; D2025-S2027 PolarHBondContact O-N 3.21Å; D2025-S2027 VanDerWaalsContact O-N 3.11Å; D2025-S2027 VanDerWaalsContact OD1-CB 3.29Å; D2025-S2027 WeakPolarHBondContact OD1-CB 3.38Å; D2025-S2027 PolarHBondContact OD1-N 3.08Å; D2025-S2027 PolarHBondContact OD1-OG 3.05Å; D2025-S2027 PolarHBondContact OD2-OG 3.08Å; D2025-N2028 HydrophobicContact CB-CB 4.45Å; D2025-N2028 PolarHBondContact O-N 3.16Å; D2025-N2028 PolarHBondContact OD2-ND2 3.25Å; D2025-G2029 WeakPolarHBondContact O-CA 3.21Å; D2025-G2029 PolarHBondContact O-N 3.29Å; D2025-K2030 PolarHBondContact N-O 3.11Å; D2025-K2030 VanDerWaalsContact N-O 3.08Å; D2025-I2032 HydrophobicContact CB-CD1 3.89Å; D2025-I2032 VanDerWaalsContact CB-CD1 3.46Å; D2025-I2032 HydrophobicContact CB-CG1 4.27Å; D2025-I2032 HydrophobicContact CB-CG2 3.94Å
2026	P	49.5	Very low	50.1	Low	101.8 Å²	101.8	64.7 Å²	64.7	66%	0.661	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-15.8	-177.2	30.6	-36.8	0	0	0	113.1	I2024 L2057 V2063	I2024-P2026 VanDerWaalsContact O-CD 3.27Å; I2024-P2026 WeakPolarHBondContact O-CD 3.24Å; P2026-L2057 HydrophobicContact CB-CD2 4.25Å; P2026-L2057 HydrophobicContact CG-CD2 4.01Å; P2026-V2063 HydrophobicContact CG-CG1 4.01Å
2027	S	47	Very low	49.8	Very low	92 Å²	92	62.6 Å²	62.6	64%	0.643	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-25.8	178.3	71.2	0	0	0	0	113.4	D2025	D2025-S2027 VanDerWaalsContact CG-OG 3.26Å; D2025-S2027 PolarHBondContact O-N 3.21Å; D2025-S2027 VanDerWaalsContact O-N 3.11Å; D2025-S2027 VanDerWaalsContact OD1-CB 3.29Å; D2025-S2027 WeakPolarHBondContact OD1-CB 3.38Å; D2025-S2027 PolarHBondContact OD1-N 3.08Å; D2025-S2027 PolarHBondContact OD1-OG 3.05Å; D2025-S2027 PolarHBondContact OD2-OG 3.08Å
2028	N	54	Low	49	Very low	109.2 Å²	109.2	68.6 Å²	68.6	58%	0.584	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	-7.7	-172.1	-59.3	-49.8	0	0	0	114.6	D2025 K2030	D2025-N2028 HydrophobicContact CB-CB 4.45Å; D2025-N2028 PolarHBondContact O-N 3.16Å; D2025-N2028 PolarHBondContact OD2-ND2 3.25Å; N2028-K2030 HydrophobicContact CB-CB 4.15Å; N2028-K2030 WeakPolarHBondContact O-CB 3.39Å; N2028-K2030 PolarHBondContact O-N 3.08Å; N2028-K2030 WeakPolarHBondContact OD1-CB 3.26Å; N2028-K2030 WeakPolarHBondContact OD1-CD 3.25Å; N2028-K2030 WeakPolarHBondContact OD1-CG 3.36Å; N2028-K2030 PolarHBondContact OD1-N 2.84Å; N2028-K2030 VanDerWaalsContact OD1-N 3.15Å
2029	G	51.8	Low	48.5	Very low	39.2 Å²	39.2	74.5 Å²	74.5	40%	0.404	39%	0.39	S	S	.	.			trans	64.2	8.2	-175.9	0	0	0	0	0	114.5	K1963 D2025	K1963-G2029 PolarHBondContact NZ-O 3.11Å; D2025-G2029 WeakPolarHBondContact O-CA 3.21Å; D2025-G2029 PolarHBondContact O-N 3.29Å
2030	K	50.4	Low	47.2	Very low	142.6 Å²	142.6	77.9 Å²	77.9	62%	0.62	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	133.6	-175.1	-154	174	-176.9	178.9	0	109.3	D2025 N2028 I2032	D2025-K2030 PolarHBondContact N-O 3.11Å; D2025-K2030 VanDerWaalsContact N-O 3.08Å; N2028-K2030 HydrophobicContact CB-CB 4.15Å; N2028-K2030 WeakPolarHBondContact O-CB 3.39Å; N2028-K2030 PolarHBondContact O-N 3.08Å; N2028-K2030 WeakPolarHBondContact OD1-CB 3.26Å; N2028-K2030 WeakPolarHBondContact OD1-CD 3.25Å; N2028-K2030 WeakPolarHBondContact OD1-CG 3.36Å; N2028-K2030 PolarHBondContact OD1-N 2.84Å; N2028-K2030 VanDerWaalsContact OD1-N 3.15Å; K2030-I2032 PolarHBondContact O-N 3.18Å
2031	I	52.2	Low	46.3	Very low	43 Å²	43	80.3 Å²	80.3	22%	0.221	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	124.2	170.3	-53.2	176.7	0	0	0	107.6	Q1959 L1960 K1963 C2022 T2023 I2024 F2060	Q1959-I2031 HydrophobicContact CB-CD1 4.27Å; L1960-I2031 HydrophobicContact CD2-CD1 3.87Å; L1960-I2031 HydrophobicContact CD2-CG1 4.21Å; L1960-I2031 HydrophobicContact CD2-CG2 4.25Å; L1960-I2031 HydrophobicContact CG-CD1 4.14Å; K1963-I2031 HydrophobicContact CB-CD1 3.98Å; K1963-I2031 HydrophobicContact CD-CD1 3.69Å; K1963-I2031 HydrophobicContact CD-CG1 4Å; K1963-I2031 HydrophobicContact CG-CD1 4.19Å; C2022-I2031 HydrophobicContact CB-CG2 3.67Å; T2023-I2031 CarbonylContact O-C 3.56Å; T2023-I2031 VanDerWaalsContact O-CA 3.28Å; T2023-I2031 WeakPolarHBondContact O-CA 3.33Å; T2023-I2031 WeakPolarHBondContact O-CG2 3.41Å; I2024-I2031 HydrophobicContact CD1-CD1 4.43Å; I2024-I2031 HydrophobicContact CD1-CG1 4.34Å; I2024-I2031 HydrophobicContact CG1-CG1 4.13Å; I2024-I2031 HydrophobicContact CG1-CG2 4.44Å; I2031-F2060 HydrophobicContact CD1-CE2 4.38Å; I2031-F2060 HydrophobicContact CD1-CZ 4.09Å; I2031-F2060 HydrophobicContact CG1-CZ 4.32Å; I2031-F2060 HydrophobicContact CG2-CZ 4.03Å
2032	I	52.6	Low	45.1	Very low	46.8 Å²	46.8	84.4 Å²	84.4	24%	0.24	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.8	173.1	-40.4	-179.1	0	0	0	108.4	T2023 D2025 K2030 S2034 Q2036 L2037	T2023-I2032 HydrophobicContact CG2-CD1 4.22Å; T2023-I2032 HydrophobicContact CG2-CG1 3.75Å; T2023-I2032 PolarHBondContact N-O 3.24Å; T2023-I2032 PolarHBondContact O-N 3.1Å; T2023-I2032 PolarHBondContact OG1-O 3.13Å; T2023-I2032 VanDerWaalsContact OG1-O 3.07Å; D2025-I2032 HydrophobicContact CB-CD1 3.89Å; D2025-I2032 VanDerWaalsContact CB-CD1 3.46Å; D2025-I2032 HydrophobicContact CB-CG1 4.27Å; D2025-I2032 HydrophobicContact CB-CG2 3.94Å; K2030-I2032 PolarHBondContact O-N 3.18Å; I2032-S2034 PolarHBondContact O-N 3.03Å; I2032-Q2036 HydrophobicContact CB-CB 4.16Å; I2032-Q2036 HydrophobicContact CG2-CB 4.26Å; I2032-L2037 HydrophobicContact CB-CD1 3.99Å; I2032-L2037 HydrophobicContact CD1-CB 4.02Å; I2032-L2037 HydrophobicContact CD1-CD1 4.26Å; I2032-L2037 HydrophobicContact CG2-CD1 3.74Å; I2032-L2037 VanDerWaalsContact CG2-CD1 3.49Å
2033	L	49.9	Very low	44.1	Very low	65.4 Å²	65.4	91.2 Å²	91.2	34%	0.342	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	130	172.1	-157.8	78.5	0	0	0	108.9	T2020 T2035 Q2036 T2062	T2020-L2033 HydrophobicContact CG2-CD1 3.71Å; T2020-L2033 HydrophobicContact CG2-CD2 3.78Å; L2033-T2035 VanDerWaalsContact C-N 3.31Å; L2033-T2035 WeakPolarHBondContact CB-OG1 3.5Å; L2033-T2035 HydrophobicContact CD1-CG2 3.7Å; L2033-T2035 HydrophobicContact CD2-CG2 3.97Å; L2033-T2035 VanDerWaalsContact CD2-OG1 3.29Å; L2033-T2035 WeakPolarHBondContact CD2-OG1 3.36Å; L2033-T2035 HydrophobicContact CG-CG2 3.7Å; L2033-T2035 WeakPolarHBondContact CG-OG1 3.14Å; L2033-T2035 PolarHBondContact O-N 3.38Å; L2033-T2035 VanDerWaalsContact O-N 3.17Å; L2033-Q2036 HydrophobicContact CB-CG 4.06Å; L2033-Q2036 WeakPolarHBondContact O-CB 3.49Å; L2033-Q2036 PolarHBondContact O-N 3.06Å; L2033-T2062 HydrophobicContact CB-CG2 3.94Å; L2033-T2062 HydrophobicContact CD1-CG2 3.8Å; L2033-T2062 HydrophobicContact CD2-CG2 4.16Å; L2033-T2062 HydrophobicContact CG-CG2 4.17Å
2034	S	47.8	Very low	43.3	Very low	22 Å²	22	96.4 Å²	96.4	15%	0.154	54%	0.54	C	S	.	.	G	3₁₀ helix	trans	-64.6	-6.7	-176.4	2.5	0	0	0	0	113.9	W2021 C2022 I2032 Q2036 H2059	W2021-S2034 WeakPolarHBondContact CB-OG 3.48Å; W2021-S2034 VanDerWaalsContact O-CB 3.29Å; W2021-S2034 WeakPolarHBondContact O-CB 3.46Å; W2021-S2034 PolarHBondContact O-N 2.94Å; W2021-S2034 PolarHBondContact O-OG 2.95Å; C2022-S2034 PolarHBondContact O-OG 3.23Å; I2032-S2034 PolarHBondContact O-N 3.03Å; S2034-Q2036 VanDerWaalsContact C-N 3.27Å; S2034-Q2036 PolarHBondContact O-N 3.13Å; S2034-H2059 WeakPolarHBondContact CB-ND1 3.31Å; S2034-H2059 PolarHBondContact OG-ND1 3.28Å
2035	T	45.9	Very low	42.2	Very low	93.4 Å²	93.4	103.8 Å²	103.8	57%	0.573	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-77.1	-1.3	174.7	56.7	0	0	0	0	114.4	L2033 L2037	L2033-T2035 VanDerWaalsContact C-N 3.31Å; L2033-T2035 WeakPolarHBondContact CB-OG1 3.5Å; L2033-T2035 HydrophobicContact CD1-CG2 3.7Å; L2033-T2035 HydrophobicContact CD2-CG2 3.97Å; L2033-T2035 VanDerWaalsContact CD2-OG1 3.29Å; L2033-T2035 WeakPolarHBondContact CD2-OG1 3.36Å; L2033-T2035 HydrophobicContact CG-CG2 3.7Å; L2033-T2035 WeakPolarHBondContact CG-OG1 3.14Å; L2033-T2035 PolarHBondContact O-N 3.38Å; L2033-T2035 VanDerWaalsContact O-N 3.17Å; T2035-L2037 VanDerWaalsContact C-N 3.33Å
2036	Q	44.5	Very low	41.7	Very low	145.8 Å²	145.8	109.1 Å²	109.1	68%	0.681	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-106.9	-4.1	176	-79.6	-178.9	-14.4	0	0	114.5	I2032 L2033 S2034 Q2038	I2032-Q2036 HydrophobicContact CB-CB 4.16Å; I2032-Q2036 HydrophobicContact CG2-CB 4.26Å; L2033-Q2036 HydrophobicContact CB-CG 4.06Å; L2033-Q2036 WeakPolarHBondContact O-CB 3.49Å; L2033-Q2036 PolarHBondContact O-N 3.06Å; S2034-Q2036 VanDerWaalsContact C-N 3.27Å; S2034-Q2036 PolarHBondContact O-N 3.13Å; Q2036-Q2038 PolarHBondContact O-N 3.15Å; Q2036-Q2038 VanDerWaalsContact O-N 3.13Å
2037	L	39.7	Very low	40.9	Very low	87.4 Å²	87.4	109.7 Å²	109.7	46%	0.458	60%	0.6	S	S	.	*			trans	-78.6	92.4	172.7	-132.2	79.1	0	0	0	111.1	T2023 I2032 T2035 R2039 L2057 C2061	T2023-L2037 HydrophobicContact CG2-CB 4.4Å; T2023-L2037 HydrophobicContact CG2-CD2 4.5Å; I2032-L2037 HydrophobicContact CB-CD1 3.99Å; I2032-L2037 HydrophobicContact CD1-CB 4.02Å; I2032-L2037 HydrophobicContact CD1-CD1 4.26Å; I2032-L2037 HydrophobicContact CG2-CD1 3.74Å; I2032-L2037 VanDerWaalsContact CG2-CD1 3.49Å; T2035-L2037 VanDerWaalsContact C-N 3.33Å; L2037-R2039 VanDerWaalsContact C-N 3.3Å; L2037-R2039 PolarHBondContact O-N 2.98Å; L2037-R2039 VanDerWaalsContact O-N 3.15Å; L2037-L2057 HydrophobicContact CD1-CD1 3.61Å; L2037-L2057 HydrophobicContact CD2-CD1 3.61Å; L2037-L2057 HydrophobicContact CG-CD1 4.25Å; L2037-C2061 WeakPolarHBondContact CD2-SG 3.44Å
2038	Q	33.6	Very low	40.7	Very low	191 Å²	191	111.8 Å²	111.8	89%	0.893	60%	0.604	S	S	*	*			trans	-69.3	94.4	179.5	-153.6	179.4	8.1	0	0	111.4	Q2036 S2040	Q2036-Q2038 PolarHBondContact O-N 3.15Å; Q2036-Q2038 VanDerWaalsContact O-N 3.13Å; Q2038-S2040 PolarHBondContact O-N 3.43Å
2039	R	34.3	Very low	39.8	Very low	179.4 Å²	179.4	110.4 Å²	110.4	68%	0.677	62%	0.615	S	S	*	*			trans	-98.9	94.7	179.9	-118.1	179.6	-175.1	178	-0.5	112.9	D1991 L2037 A2041 F2060	D1991-R2039 VanDerWaalsContact CG-NH2 3.3Å; D1991-R2039 IonicContact OD1-CZ 2.73Å; D1991-R2039 IonicContact OD1-NE 3.86Å; D1991-R2039 IonicContact OD1-NH1 3.97Å; D1991-R2039 PolarHBondContact OD1-NH1 2.86Å; D1991-R2039 IonicContact OD1-NH2 2.64Å; D1991-R2039 PolarHBondContact OD1-NH2 3.48Å; D1991-R2039 IonicContact OD2-CZ 3.02Å; D1991-R2039 IonicContact OD2-NH1 3.72Å; D1991-R2039 IonicContact OD2-NH2 3.53Å; D1991-R2039 PolarHBondContact OD2-NH2 2.75Å; L2037-R2039 VanDerWaalsContact C-N 3.3Å; L2037-R2039 PolarHBondContact O-N 2.98Å; L2037-R2039 VanDerWaalsContact O-N 3.15Å; R2039-A2041 PolarHBondContact O-N 2.98Å; R2039-A2041 VanDerWaalsContact O-N 3.13Å; R2039-F2060 PolarHBondContact NH1-O 2.61Å; R2039-F2060 VanDerWaalsContact NH1-O 3.08Å; R2039-F2060 PolarHBondContact NH2-O 2.88Å
2040	S	26.8	Very low	38.8	Very low	118.4 Å²	118.4	119 Å²	119	83%	0.828	64%	0.636	S	S	*	*			trans	-73.6	85.6	174	53.1	0	0	0	0	113.6	Q2038	Q2038-S2040 PolarHBondContact O-N 3.43Å
2041	A	31.5	Very low	38	Very low	79.6 Å²	79.6	117.1 Å²	117.1	66%	0.658	64%	0.638	S	S	*	*			trans	-138.3	137.7	163.8	0	0	0	0	0	109.8	R2039 L2043	R2039-A2041 PolarHBondContact O-N 2.98Å; R2039-A2041 VanDerWaalsContact O-N 3.13Å; A2041-L2043 PolarHBondContact O-N 3.1Å
2042	P	30.2	Very low	37	Very low	123.6 Å²	123.6	119.2 Å²	119.2	80%	0.803	65%	0.654	S	S	*	*			trans	-75.1	130.3	-176.8	29.5	-33.8	0	0	0	111.8	V2044	P2042-V2044 PolarHBondContact O-N 3.07Å
2043	L	30.6	Very low	36.1	Very low	151.2 Å²	151.2	126.4 Å²	126.4	79%	0.792	68%	0.684	S	S	*	*			trans	-69.5	110.5	178.1	-168.3	67.5	0	0	0	110.9	A2041 K2045 D2055	A2041-L2043 PolarHBondContact O-N 3.1Å; L2043-K2045 PolarHBondContact O-N 3.13Å; L2043-D2055 HydrophobicContact CD2-CB 3.67Å; L2043-D2055 VanDerWaalsContact CD2-OD1 3.29Å; L2043-D2055 WeakPolarHBondContact CD2-OD1 3.29Å
2044	V	34.4	Very low	35.2	Very low	121.6 Å²	121.6	130 Å²	130	74%	0.737	70%	0.702	S	S	*	*			trans	-70.2	110.3	178.1	179	0	0	0	0	109.9	P2042 M2046	P2042-V2044 PolarHBondContact O-N 3.07Å; V2044-M2046 PolarHBondContact O-N 3.24Å
2045	K	32	Very low	34.4	Very low	190.8 Å²	190.8	134.2 Å²	134.2	83%	0.83	72%	0.723	S	S	*	*			trans	-71.2	114.9	169.2	-79.9	-175.9	173.9	179.9	0	110.1	L2043	L2043-K2045 PolarHBondContact O-N 3.13Å
2046	M	36.3	Very low	33.8	Very low	146.4 Å²	146.4	138.3 Å²	138.3	72%	0.721	73%	0.728	S	S	*	*			trans	-69.3	143.7	161	-78.7	-68.5	-175.4	0	0	110.2	V2044 N2048 P2052	V2044-M2046 PolarHBondContact O-N 3.24Å; M2046-N2048 VanDerWaalsContact C-N 3.29Å; M2046-N2048 PolarHBondContact O-N 2.9Å; M2046-P2052 HydrophobicContact CG-CG 4.33Å
2047	P	34.4	Very low	33.3	Very low	114.2 Å²	114.2	135.2 Å²	135.2	74%	0.742	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-2	-178.1	19.4	-21.6	0	0	0	113.9	G2049	P2047-G2049 PolarHBondContact O-N 2.89Å
2048	N	41.3	Very low	33	Very low	137 Å²	137	133.9 Å²	133.9	73%	0.733	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	19.9	-166.5	-55.5	18.5	0	0	0	114	M2046 R2050	M2046-N2048 VanDerWaalsContact C-N 3.29Å; M2046-N2048 PolarHBondContact O-N 2.9Å; N2048-R2050 VanDerWaalsContact C-N 3.34Å; N2048-R2050 PolarHBondContact O-N 3.15Å
2049	G	36	Very low	33.2	Very low	79.2 Å²	79.2	128.1 Å²	128.1	82%	0.816	68%	0.682	S	S	*	*			trans	55.4	1.1	173.9	0	0	0	0	0	117.4	P2047	P2047-G2049 PolarHBondContact O-N 2.89Å
2050	R	31.4	Very low	33.2	Very low	219.8 Å²	219.8	124.1 Å²	124.1	83%	0.829	67%	0.669	S	S	*	*			trans	-96.1	121.3	177.5	-135.6	-179.8	-169.7	-179.5	3.1	109.9	N2048	N2048-R2050 VanDerWaalsContact C-N 3.34Å; N2048-R2050 PolarHBondContact O-N 3.15Å
2051	P	32.4	Very low	33.6	Very low	102.6 Å²	102.6	120.5 Å²	120.5	67%	0.666	64%	0.643	S	S	*	*			trans	-67.1	135.1	172.3	28.6	-33.2	0	0	0	109.4	F2053	P2051-F2053 HydrophobicContact CG-CE2 4.19Å; P2051-F2053 HydrophobicContact CG-CZ 4.48Å; P2051-F2053 VanDerWaalsContact O-CD2 3.3Å; P2051-F2053 WeakPolarHBondContact O-CD2 3.46Å; P2051-F2053 PolarHBondContact O-N 3.36Å
2052	P	32.4	Very low	33.7	Very low	86.6 Å²	86.6	121.9 Å²	121.9	56%	0.562	64%	0.644	S	S	*	*			trans	-72	129.9	174.3	22	-22.3	0	0	0	109.8	M2046 I2054 D2055	M2046-P2052 HydrophobicContact CG-CG 4.33Å; P2052-I2054 HydrophobicContact CB-CB 4.08Å; P2052-I2054 HydrophobicContact CB-CD1 3.64Å; P2052-I2054 HydrophobicContact CB-CG1 3.61Å; P2052-I2054 HydrophobicContact CG-CB 4.04Å; P2052-I2054 HydrophobicContact CG-CD1 3.93Å; P2052-I2054 HydrophobicContact CG-CG1 4.22Å; P2052-I2054 PolarHBondContact O-N 3.07Å; P2052-I2054 VanDerWaalsContact O-N 3.17Å; P2052-D2055 HydrophobicContact CB-CB 4.35Å; P2052-D2055 WeakPolarHBondContact CB-OD1 3.48Å; P2052-D2055 WeakPolarHBondContact CD-OD2 3.35Å; P2052-D2055 VanDerWaalsContact CG-OD2 3.26Å; P2052-D2055 WeakPolarHBondContact CG-OD2 3.38Å; P2052-D2055 WeakPolarHBondContact O-CB 2.97Å; P2052-D2055 PolarHBondContact O-N 2.76Å; P2052-D2055 VanDerWaalsContact O-N 3.12Å
2053	F	32.5	Very low	33.8	Very low	199.8 Å²	199.8	120.2 Å²	120.2	88%	0.876	63%	0.631	S	S	*	*	S	Bend	trans	-73.4	45.1	164.2	-91.3	-96.8	0	0	0	110.8	P2051	P2051-F2053 HydrophobicContact CG-CE2 4.19Å; P2051-F2053 HydrophobicContact CG-CZ 4.48Å; P2051-F2053 VanDerWaalsContact O-CD2 3.3Å; P2051-F2053 WeakPolarHBondContact O-CD2 3.46Å; P2051-F2053 PolarHBondContact O-N 3.36Å
2054	I	31.6	Very low	33.7	Very low	139.4 Å²	139.4	122.8 Å²	122.8	72%	0.715	63%	0.63	S	S	*	*			trans	-117.8	69.2	-175.3	-59	170.9	0	0	0	110.3	P2052 R2056	P2052-I2054 HydrophobicContact CB-CB 4.08Å; P2052-I2054 HydrophobicContact CB-CD1 3.64Å; P2052-I2054 HydrophobicContact CB-CG1 3.61Å; P2052-I2054 HydrophobicContact CG-CB 4.04Å; P2052-I2054 HydrophobicContact CG-CD1 3.93Å; P2052-I2054 HydrophobicContact CG-CG1 4.22Å; P2052-I2054 PolarHBondContact O-N 3.07Å; P2052-I2054 VanDerWaalsContact O-N 3.17Å; I2054-R2056 PolarHBondContact O-N 3.11Å
2055	D	30.2	Very low	33.5	Very low	110.4 Å²	110.4	121.4 Å²	121.4	59%	0.59	63%	0.626	S	S	*	*			trans	-126.4	106.1	156.7	-98	-20.4	0	0	0	113.2	L2043 P2052 L2057	L2043-D2055 HydrophobicContact CD2-CB 3.67Å; L2043-D2055 VanDerWaalsContact CD2-OD1 3.29Å; L2043-D2055 WeakPolarHBondContact CD2-OD1 3.29Å; P2052-D2055 HydrophobicContact CB-CB 4.35Å; P2052-D2055 WeakPolarHBondContact CB-OD1 3.48Å; P2052-D2055 WeakPolarHBondContact CD-OD2 3.35Å; P2052-D2055 VanDerWaalsContact CG-OD2 3.26Å; P2052-D2055 WeakPolarHBondContact CG-OD2 3.38Å; P2052-D2055 WeakPolarHBondContact O-CB 2.97Å; P2052-D2055 PolarHBondContact O-N 2.76Å; P2052-D2055 VanDerWaalsContact O-N 3.12Å; D2055-L2057 PolarHBondContact O-N 3.17Å
2056	R	33.5	Very low	33.3	Very low	179.6 Å²	179.6	117.8 Å²	117.8	68%	0.678	62%	0.616	S	S	*	*			trans	45.8	93.1	158.6	-62.6	173.4	-173.7	-154.9	-2.4	113.8	A1992 I2054 L2058	A1992-R2056 PolarHBondContact O-NH1 3.27Å; I2054-R2056 PolarHBondContact O-N 3.11Å; R2056-L2058 PolarHBondContact O-N 3.3Å
2057	L	33.9	Very low	33	Very low	80.8 Å²	80.8	116 Å²	116	42%	0.423	61%	0.613	S	S	.	*			trans	-82.3	79	158.6	-76.8	165.4	0	0	0	112.4	L2018 F2019 W2021 P2026 L2037 D2055 H2059	L2018-L2057 HydrophobicContact CD1-CD1 4.13Å; F2019-L2057 WeakPolarHBondContact O-CB 3.37Å; F2019-L2057 VanDerWaalsContact O-CD1 3.25Å; F2019-L2057 WeakPolarHBondContact O-CD1 3.38Å; W2021-L2057 PolarHBondContact NE1-O 2.97Å; P2026-L2057 HydrophobicContact CB-CD2 4.25Å; P2026-L2057 HydrophobicContact CG-CD2 4.01Å; L2037-L2057 HydrophobicContact CD1-CD1 3.61Å; L2037-L2057 HydrophobicContact CD2-CD1 3.61Å; L2037-L2057 HydrophobicContact CG-CD1 4.25Å; D2055-L2057 PolarHBondContact O-N 3.17Å; L2057-H2059 VanDerWaalsContact C-N 3.27Å; L2057-H2059 HydrophobicContact CD2-CB 4.46Å; L2057-H2059 VanDerWaalsContact CD2-CD2 3.48Å; L2057-H2059 WeakPolarHBondContact CD2-CD2 3.3Å; L2057-H2059 PolarHBondContact O-N 3.33Å
2058	L	34.5	Very low	32.7	Very low	61 Å²	61	116 Å²	116	32%	0.319	61%	0.611	S	S	.	*			trans	-84.1	90.7	161	-106.2	149.6	0	0	0	108.4	L1990 A1992 W2021 T2023 R2056 F2060	L1990-L2058 HydrophobicContact CB-CD2 4.28Å; L1990-L2058 WeakPolarHBondContact O-CD1 3.35Å; A1992-L2058 HydrophobicContact CB-CD1 4.14Å; W2021-L2058 HydrophobicContact CZ2-CD2 4.02Å; T2023-L2058 PolarHBondContact OG1-O 3.35Å; R2056-L2058 PolarHBondContact O-N 3.3Å; L2058-F2060 VanDerWaalsContact C-N 3.3Å; L2058-F2060 HydrophobicContact CB-CD2 4.33Å; L2058-F2060 HydrophobicContact CB-CE2 3.86Å; L2058-F2060 HydrophobicContact CB-CZ 4.29Å; L2058-F2060 HydrophobicContact CD1-CE2 4.39Å; L2058-F2060 HydrophobicContact CD1-CZ 4.44Å; L2058-F2060 HydrophobicContact CD2-CE1 4.36Å; L2058-F2060 HydrophobicContact CD2-CE2 4.28Å; L2058-F2060 HydrophobicContact CD2-CZ 4.21Å; L2058-F2060 HydrophobicContact CG-CE2 4.42Å; L2058-F2060 HydrophobicContact CG-CZ 4.44Å; L2058-F2060 WeakPolarHBondContact O-CD2 3.36Å; L2058-F2060 PolarHBondContact O-N 3.41Å
2059	H	36.2	Very low	32.1	Very low	68.6 Å²	68.6	116.2 Å²	116.2	32%	0.318	61%	0.61	S	S	.	*			trans	-88.5	95.5	-180	-104.2	-71.8	0	0	0	111.2	W2021 C2022 S2034 L2057 C2061	W2021-H2059 HydrophobicContact CE3-CB 4.46Å; C2022-H2059 CarbonylContact O-C 3.58Å; C2022-H2059 VanDerWaalsContact O-CA 3.29Å; C2022-H2059 WeakPolarHBondContact O-CA 3.48Å; S2034-H2059 WeakPolarHBondContact CB-ND1 3.31Å; S2034-H2059 PolarHBondContact OG-ND1 3.28Å; L2057-H2059 VanDerWaalsContact C-N 3.27Å; L2057-H2059 HydrophobicContact CD2-CB 4.46Å; L2057-H2059 VanDerWaalsContact CD2-CD2 3.48Å; L2057-H2059 WeakPolarHBondContact CD2-CD2 3.3Å; L2057-H2059 PolarHBondContact O-N 3.33Å; H2059-C2061 VanDerWaalsContact C-N 3.28Å; H2059-C2061 PolarHBondContact ND1-SG 3.27Å; H2059-C2061 VanDerWaalsContact ND1-SG 3.36Å; H2059-C2061 PolarHBondContact O-N 3.22Å
2060	F	36.2	Very low	31.7	Very low	96.4 Å²	96.4	119.2 Å²	119.2	42%	0.423	61%	0.607	S	S	.	*			trans	-85.9	121.7	173.7	-47.8	-83.5	0	0	0	111.3	L1990 C2022 I2024 I2031 R2039 L2058 T2062	L1990-F2060 HydrophobicContact CD1-CE1 4.17Å; C2022-F2060 HydrophobicContact CB-CD1 4.43Å; C2022-F2060 HydrophobicContact CB-CD2 3.96Å; C2022-F2060 HydrophobicContact CB-CE1 4.04Å; C2022-F2060 HydrophobicContact CB-CE2 3.52Å; C2022-F2060 HydrophobicContact CB-CG 4.4Å; C2022-F2060 HydrophobicContact CB-CZ 3.56Å; C2022-F2060 PolarHBondContact N-O 2.94Å; C2022-F2060 PolarHBondContact O-N 2.96Å; I2024-F2060 HydrophobicContact CG1-CE1 4.21Å; I2031-F2060 HydrophobicContact CD1-CE2 4.38Å; I2031-F2060 HydrophobicContact CD1-CZ 4.09Å; I2031-F2060 HydrophobicContact CG1-CZ 4.32Å; I2031-F2060 HydrophobicContact CG2-CZ 4.03Å; R2039-F2060 PolarHBondContact NH1-O 2.61Å; R2039-F2060 VanDerWaalsContact NH1-O 3.08Å; R2039-F2060 PolarHBondContact NH2-O 2.88Å; L2058-F2060 VanDerWaalsContact C-N 3.3Å; L2058-F2060 HydrophobicContact CB-CD2 4.33Å; L2058-F2060 HydrophobicContact CB-CE2 3.86Å; L2058-F2060 HydrophobicContact CB-CZ 4.29Å; L2058-F2060 HydrophobicContact CD1-CE2 4.39Å; L2058-F2060 HydrophobicContact CD1-CZ 4.44Å; L2058-F2060 HydrophobicContact CD2-CE1 4.36Å; L2058-F2060 HydrophobicContact CD2-CE2 4.28Å; L2058-F2060 HydrophobicContact CD2-CZ 4.21Å; L2058-F2060 HydrophobicContact CG-CE2 4.42Å; L2058-F2060 HydrophobicContact CG-CZ 4.44Å; L2058-F2060 WeakPolarHBondContact O-CD2 3.36Å; L2058-F2060 PolarHBondContact O-N 3.41Å; F2060-T2062 PolarHBondContact O-N 3.26Å; F2060-T2062 VanDerWaalsContact O-N 3.14Å
2061	C	35	Very low	31.6	Very low	41.2 Å²	41.2	114.1 Å²	114.1	28%	0.278	60%	0.6	S	S	.	*			trans	-127.2	123.2	172.3	-115.6	0	0	0	0	110.7	F2019 T2020 W2021 T2023 L2037 H2059	F2019-C2061 WeakPolarHBondContact CA-SG 3.49Å; T2020-C2061 PolarHBondContact N-SG 3.19Å; T2020-C2061 PolarHBondContact O-SG 3.13Å; W2021-C2061 HydrophobicContact CD2-CB 3.86Å; W2021-C2061 HydrophobicContact CE3-CB 3.6Å; W2021-C2061 HydrophobicContact CG-CB 4.48Å; W2021-C2061 HydrophobicContact CH2-CB 4.41Å; W2021-C2061 HydrophobicContact CZ3-CB 3.89Å; T2023-C2061 HydrophobicContact CG2-CB 4.28Å; L2037-C2061 WeakPolarHBondContact CD2-SG 3.44Å; H2059-C2061 VanDerWaalsContact C-N 3.28Å; H2059-C2061 PolarHBondContact ND1-SG 3.27Å; H2059-C2061 VanDerWaalsContact ND1-SG 3.36Å; H2059-C2061 PolarHBondContact O-N 3.22Å
2062	T	33	Very low	31.6	Very low	109.8 Å²	109.8	115.6 Å²	115.6	67%	0.674	61%	0.607	S	S	*	*			trans	-101.2	122.4	174.3	48.4	0	0	0	0	110.1	L2033 F2060 R2064	L2033-T2062 HydrophobicContact CB-CG2 3.94Å; L2033-T2062 HydrophobicContact CD1-CG2 3.8Å; L2033-T2062 HydrophobicContact CD2-CG2 4.16Å; L2033-T2062 HydrophobicContact CG-CG2 4.17Å; F2060-T2062 PolarHBondContact O-N 3.26Å; F2060-T2062 VanDerWaalsContact O-N 3.14Å; T2062-R2064 PolarHBondContact O-N 3.22Å
2063	V	32.7	Very low	31.6	Very low	88.6 Å²	88.6	117.7 Å²	117.7	54%	0.537	62%	0.619	S	S	.	*			trans	-85.9	116.3	173.7	-177.7	0	0	0	0	109.1	D1979 L2018 F2019 P2026 S2065	D1979-V2063 HydrophobicContact CB-CG2 4.32Å; L2018-V2063 HydrophobicContact CG-CG1 4.48Å; F2019-V2063 HydrophobicContact CD1-CG2 4.35Å; F2019-V2063 HydrophobicContact CE1-CG1 4.17Å; F2019-V2063 HydrophobicContact CE1-CG2 3.96Å; P2026-V2063 HydrophobicContact CG-CG1 4.01Å; V2063-S2065 PolarHBondContact O-N 3.21Å; V2063-S2065 VanDerWaalsContact O-N 3.14Å
2064	R	28.4	Very low	31.4	Very low	204.4 Å²	204.4	112.5 Å²	112.5	77%	0.771	61%	0.613	S	S	*	*			trans	-75.3	112.9	173	-174	-178.9	-173.8	116.9	-0.7	109.1	T2062 N2066	T2062-R2064 PolarHBondContact O-N 3.22Å; R2064-N2066 PolarHBondContact NE-OD1 3.02Å; R2064-N2066 PolarHBondContact O-N 3.1Å
2065	S	29	Very low	31.4	Very low	92.8 Å²	92.8	111.7 Å²	111.7	65%	0.649	62%	0.617	S	S	*	*			trans	-75.8	106.6	167.7	-176.3	0	0	0	0	109.3	V2063 V2067	V2063-S2065 PolarHBondContact O-N 3.21Å; V2063-S2065 VanDerWaalsContact O-N 3.14Å; S2065-V2067 VanDerWaalsContact C-N 3.31Å; S2065-V2067 PolarHBondContact O-N 3.16Å
2066	N	29.2	Very low	31.5	Very low	114.2 Å²	114.2	110.8 Å²	110.8	61%	0.611	62%	0.624	S	S	*	*			trans	-74.6	91.5	172.2	-76.2	-12.9	0	0	0	109.1	L2018 R2064 T2068	L2018-N2066 HydrophobicContact CD1-CB 4.47Å; L2018-N2066 WeakPolarHBondContact CD1-ND2 3.28Å; R2064-N2066 PolarHBondContact NE-OD1 3.02Å; R2064-N2066 PolarHBondContact O-N 3.1Å; N2066-T2068 VanDerWaalsContact C-N 3.29Å; N2066-T2068 PolarHBondContact O-N 3.23Å; N2066-T2068 VanDerWaalsContact O-N 3.12Å; N2066-T2068 PolarHBondContact O-OG1 3.29Å
2067	V	29.3	Very low	31.4	Very low	109.2 Å²	109.2	108.2 Å²	108.2	66%	0.662	63%	0.629	S	S	*	*			trans	-78.2	102	159.3	-179	0	0	0	0	106.8	S2065 M2069	S2065-V2067 VanDerWaalsContact C-N 3.31Å; S2065-V2067 PolarHBondContact O-N 3.16Å; V2067-M2069 VanDerWaalsContact C-N 3.25Å; V2067-M2069 HydrophobicContact CG1-CE 4.27Å; V2067-M2069 HydrophobicContact CG1-CG 4.39Å; V2067-M2069 HydrophobicContact CG1-SD 4.21Å; V2067-M2069 PolarHBondContact O-N 3.24Å; V2067-M2069 VanDerWaalsContact O-N 3.08Å
2068	T	28.4	Very low	31.3	Very low	114.6 Å²	114.6	112.6 Å²	112.6	70%	0.703	65%	0.647	S	S	*	*			trans	-71	97.5	177.4	-45.1	0	0	0	0	108.7	N2066 N2070	N2066-T2068 VanDerWaalsContact C-N 3.29Å; N2066-T2068 PolarHBondContact O-N 3.23Å; N2066-T2068 VanDerWaalsContact O-N 3.12Å; N2066-T2068 PolarHBondContact O-OG1 3.29Å; T2068-N2070 VanDerWaalsContact C-N 3.28Å; T2068-N2070 WeakPolarHBondContact CG2-OD1 3.41Å; T2068-N2070 PolarHBondContact O-N 3.16Å; T2068-N2070 VanDerWaalsContact O-N 3.11Å
2069	M	27.6	Very low	31.1	Very low	142.2 Å²	142.2	116 Å²	116	70%	0.7	67%	0.67	S	S	*	*			trans	-65.2	106.4	170.5	-77.9	-69.9	-160.2	0	0	108.9	V2067 T2071	V2067-M2069 VanDerWaalsContact C-N 3.25Å; V2067-M2069 HydrophobicContact CG1-CE 4.27Å; V2067-M2069 HydrophobicContact CG1-CG 4.39Å; V2067-M2069 HydrophobicContact CG1-SD 4.21Å; V2067-M2069 PolarHBondContact O-N 3.24Å; V2067-M2069 VanDerWaalsContact O-N 3.08Å; M2069-T2071 HydrophobicContact CB-CG2 4.33Å; M2069-T2071 PolarHBondContact O-N 3.2Å; M2069-T2071 PolarHBondContact O-OG1 2.9Å
2070	N	28.7	Very low	30.8	Very low	141.2 Å²	141.2	116.8 Å²	116.8	76%	0.755	69%	0.689	S	S	*	*			trans	-82.9	76.3	169.1	-79.1	-11.7	0	0	0	109.7	T2068 T2072	T2068-N2070 VanDerWaalsContact C-N 3.28Å; T2068-N2070 WeakPolarHBondContact CG2-OD1 3.41Å; T2068-N2070 PolarHBondContact O-N 3.16Å; T2068-N2070 VanDerWaalsContact O-N 3.11Å; N2070-T2072 VanDerWaalsContact C-N 3.28Å; N2070-T2072 PolarHBondContact O-N 2.93Å; N2070-T2072 PolarHBondContact O-OG1 3.12Å
2071	T	29.5	Very low	30.5	Very low	113.4 Å²	113.4	117.8 Å²	117.8	70%	0.696	70%	0.703	S	S	*	*			trans	-83.9	102.4	173	46.3	0	0	0	0	109.8	M2069 T2073	M2069-T2071 HydrophobicContact CB-CG2 4.33Å; M2069-T2071 PolarHBondContact O-N 3.2Å; M2069-T2071 PolarHBondContact O-OG1 2.9Å; T2071-T2073 PolarHBondContact O-N 3.36Å; T2071-T2073 PolarHBondContact O-OG1 2.96Å
2072	T	30.8	Very low	30.2	Very low	133 Å²	133	122.6 Å²	122.6	82%	0.816	73%	0.726	S	S	*	*			trans	-80.7	109.4	172.8	-37.9	0	0	0	0	109.9	N2070 A2074	N2070-T2072 VanDerWaalsContact C-N 3.28Å; N2070-T2072 PolarHBondContact O-N 2.93Å; N2070-T2072 PolarHBondContact O-OG1 3.12Å; T2072-A2074 PolarHBondContact O-N 3.28Å
2073	T	32.3	Very low	30	Very low	131.4 Å²	131.4	123.2 Å²	123.2	81%	0.806	73%	0.73	S	S	*	*			trans	-74.7	125.7	159.5	47.5	0	0	0	0	111.4	T2071	T2071-T2073 PolarHBondContact O-N 3.36Å; T2071-T2073 PolarHBondContact O-OG1 2.96Å
2074	A	29.5	Very low	29.8	Very low	91 Å²	91	123.5 Å²	123.5	75%	0.752	74%	0.736	S	S	*	*			trans	-102.3	155.3	162	0	0	0	0	0	112	T2072 A2076	T2072-A2074 PolarHBondContact O-N 3.28Å; A2074-A2076 PolarHBondContact O-N 3.13Å
2075	P	31.4	Very low	29.8	Very low	122.8 Å²	122.8	120.6 Å²	120.6	80%	0.797	73%	0.734	S	S	*	*			trans	-99	141.5	-179.1	35.7	-31.6	0	0	0	113.4	T2077	P2075-T2077 VanDerWaalsContact C-N 3.31Å; P2075-T2077 PolarHBondContact O-N 3.42Å
2076	A	31.8	Very low	29.6	Very low	89.6 Å²	89.6	121.3 Å²	121.3	74%	0.74	74%	0.739	S	S	*	*			trans	7.8	123.1	168.4	0	0	0	0	0	115.6	A2074 E2078	A2074-A2076 PolarHBondContact O-N 3.13Å; A2076-E2078 VanDerWaalsContact C-N 3.28Å; A2076-E2078 PolarHBondContact O-N 2.88Å
2077	T	32	Very low	29.6	Very low	125.2 Å²	125.2	120.5 Å²	120.5	77%	0.768	74%	0.743	S	S	*	*				-71.4	148.2	120.9	41	0	0	0	0	113.7	P2075	P2075-T2077 VanDerWaalsContact C-N 3.31Å; P2075-T2077 PolarHBondContact O-N 3.42Å
2078	E	30.9	Very low	29.5	Very low	173.4 Å²	173.4	124.7 Å²	124.7	81%	0.81	75%	0.752	S	S	*	*			cis	-126.3	170.7	46	-115.1	160.1	-140.4	0	0	112.9	A2076 A2080	A2076-E2078 VanDerWaalsContact C-N 3.28Å; A2076-E2078 PolarHBondContact O-N 2.88Å; E2078-A2080 PolarHBondContact O-N 3.03Å
2079	T	30.5	Very low	29.4	Very low	132.6 Å²	132.6	126.8 Å²	126.8	81%	0.813	76%	0.758	S	S	*	*			trans	-100.3	132.8	176	18.2	0	0	0	0	112.7
2080	A	30.5	Very low	29.5	Very low	85.6 Å²	85.6	125.6 Å²	125.6	71%	0.707	76%	0.761	S	S	*	*				139.4	137.3	116.5	0	0	0	0	0	115.3	E2078	E2078-A2080 PolarHBondContact O-N 3.03Å
2081	T	30.3	Very low	29.3	Very low	118.2 Å²	118.2	127.7 Å²	127.7	73%	0.725	76%	0.759	S	S	*	*				175.8	144.1	110.9	39.2	0	0	0	0	117
2082	N	28.4	Very low	29.3	Very low	141.6 Å²	141.6	128.4 Å²	128.4	76%	0.757	76%	0.763	S	S	*	*			trans	38.8	134.9	140.3	-52.9	-12.4	0	0	0	119.2
2083	T	29.5	Very low	29	Very low	123.2 Å²	123.2	128.6 Å²	128.6	76%	0.756	76%	0.755	S	S	*	*			cis	-174.5	155.6	47.7	9.7	0	0	0	0	114.3
2084	S	26.6	Very low	28.8	Very low	93.6 Å²	93.6	127.4 Å²	127.4	66%	0.655	75%	0.752	S	S	*	*			trans	-7.3	147.6	160.8	57.1	0	0	0	0	119.2	L2360 S2361	S2084-L2360 CarbonylContact O-C 3.5Å; S2084-S2361 PolarHBondContact O-N 2.88Å
2085	I	28.4	Very low	28.6	Very low	143.8 Å²	143.8	129.1 Å²	129.1	74%	0.737	75%	0.753	S	S	*	*			trans	113.1	119.2	132.8	-71.4	166.8	0	0	0	117.3
2086	S	26.1	Very low	28.6	Very low	106.6 Å²	106.6	128.7 Å²	128.7	75%	0.745	75%	0.753	S	S	*	*			trans	39.5	133.4	146.8	-147.6	0	0	0	0	121.3
2087	S	28.6	Very low	28.5	Very low	98.6 Å²	98.6	132.8 Å²	132.8	69%	0.69	76%	0.757	S	S	*	*				152.7	149.2	91.4	59.1	0	0	0	0	115.9
2088	K	27.8	Very low	28.4	Very low	196.8 Å²	196.8	131.8 Å²	131.8	86%	0.856	76%	0.755	S	S	*	*			trans	70.9	133.8	159.5	-69.9	173.5	-178.1	177.2	0	115.8
2089	L	26.5	Very low	28.3	Very low	159 Å²	159	130 Å²	130	83%	0.832	75%	0.751	S	S	*	*				-17.5	153.6	115.9	-112.6	75.8	0	0	0	112.4
2090	P	29.5	Very low	28.2	Very low	117.2 Å²	117.2	131.8 Å²	131.8	76%	0.761	75%	0.748	S	S	*	*				-117.3	179.3	115.9	36.3	-24.2	0	0	0	114.1
2091	Y	25.1	Very low	28.1	Very low	185.2 Å²	185.2	136 Å²	136	73%	0.726	75%	0.753	S	S	*	*			trans	69.5	135	159.4	-160.2	-90.8	0	0	0	114.2	E2093	Y2091-E2093 HydrophobicContact CE1-CB 4.03Å; Y2091-E2093 WeakPolarHBondContact CE1-OE1 3.3Å; Y2091-E2093 WeakPolarHBondContact CE1-OE2 3.3Å; Y2091-E2093 PolarHBondContact OH-OE1 3.28Å; Y2091-E2093 PolarHBondContact OH-OE2 3.09Å
2092	V	29	Very low	27.9	Very low	127 Å²	127	136.7 Å²	136.7	77%	0.77	76%	0.756	S	S	*	*			trans	173.1	130.3	151	-179.9	0	0	0	0	110.1
2093	E	25.1	Very low	27.7	Very low	139 Å²	139	135.1 Å²	135.1	65%	0.65	76%	0.755	S	S	*	*			trans	13.9	144.1	160	-154.7	165.4	-156.3	0	0	114.5	Y2091 S2297	Y2091-E2093 HydrophobicContact CE1-CB 4.03Å; Y2091-E2093 WeakPolarHBondContact CE1-OE1 3.3Å; Y2091-E2093 WeakPolarHBondContact CE1-OE2 3.3Å; Y2091-E2093 PolarHBondContact OH-OE1 3.28Å; Y2091-E2093 PolarHBondContact OH-OE2 3.09Å; E2093-S2297 PolarHBondContact OE1-OG 3.38Å
2094	S	27	Very low	27.5	Very low	104.8 Å²	104.8	134.1 Å²	134.1	73%	0.733	75%	0.753	S	S	*	*			trans	179.9	143.3	142.1	53.4	0	0	0	0	113
2095	T	26.6	Very low	27.5	Very low	126.8 Å²	126.8	135.9 Å²	135.9	78%	0.778	76%	0.755	S	S	*	*			trans	14	127.6	154.1	54.8	0	0	0	0	116.8
2096	S	31.5	Very low	27.4	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	76%	0.758	S	S	*	*				-171	143.6	111.9	54.5	0	0	0	0	112.9
2097	E	28.6	Very low	27.4	Very low	175.6 Å²	175.6	139.3 Å²	139.3	82%	0.821	76%	0.758	S	S	*	*			trans	-86.3	153.4	165.8	-73.5	174.4	118.8	0	0	115	K2100	E2097-K2100 WeakPolarHBondContact OE1-CE 3.46Å; E2097-K2100 IonicContact OE1-NZ 2.64Å; E2097-K2100 PolarHBondContact OE1-NZ 2.91Å
2098	S	29.3	Very low	27.3	Very low	104.8 Å²	104.8	139.6 Å²	139.6	73%	0.733	76%	0.755	S	S	*	*				158.7	134.5	115.7	59.4	0	0	0	0	115.5
2099	N	29.5	Very low	27.3	Very low	135.6 Å²	135.6	140.6 Å²	140.6	73%	0.725	76%	0.756	S	S	*	*			trans	-139.4	122.9	167.8	-76.2	-78.3	0	0	0	113
2100	K	28.9	Very low	27.3	Very low	170.4 Å²	170.4	139.2 Å²	139.2	74%	0.741	75%	0.749	S	S	*	*				-175.4	148	96.3	-97.3	168.8	-171.4	146.7	0	112.6	E2097	E2097-K2100 WeakPolarHBondContact OE1-CE 3.46Å; E2097-K2100 IonicContact OE1-NZ 2.64Å; E2097-K2100 PolarHBondContact OE1-NZ 2.91Å
2101	Q	27.7	Very low	27.2	Very low	173.2 Å²	173.2	140.6 Å²	140.6	81%	0.809	75%	0.745	S	S	*	*			trans	56.4	121.4	149.8	-69.7	169.8	-14.9	0	0	116.2
2102	V	26.1	Very low	27.5	Very low	132.2 Å²	132.2	137.2 Å²	137.2	80%	0.801	75%	0.746	S	S	*	*				83	119.3	99.7	177.6	0	0	0	0	114.3
2103	C	25.3	Very low	27.4	Very low	109.4 Å²	109.4	137 Å²	137	74%	0.739	74%	0.744	S	S	*	*			trans	29.5	124.1	165.8	-62.5	0	0	0	0	116.4	R2393	C2103-R2393 PolarHBondContact O-NH2 3.33Å
2104	S	25.5	Very low	27.4	Very low	101.2 Å²	101.2	135.2 Å²	135.2	71%	0.708	75%	0.747	S	S	*	*				151.3	147.9	129.1	58.2	0	0	0	0	113.2
2105	L	25.2	Very low	27.3	Very low	131 Å²	131	138.7 Å²	138.7	69%	0.686	75%	0.754	S	S	*	*				76.4	138.7	122.4	-64.8	169.7	0	0	0	115.7
2106	F	26.8	Very low	27.3	Very low	183.6 Å²	183.6	140.1 Å²	140.1	81%	0.805	76%	0.755	S	S	*	*				-88.6	137.3	125.3	-79.5	-82	0	0	0	113.1
2107	N	26.6	Very low	27	Very low	139 Å²	139	139.4 Å²	139.4	74%	0.743	75%	0.751	S	S	*	*				-168.3	147.9	92.9	-104.1	-9	0	0	0	111.7
2108	T	26	Very low	27	Very low	104.8 Å²	104.8	137.9 Å²	137.9	64%	0.643	75%	0.748	S	S	*	*			trans	41.7	135.2	136.9	17.3	0	0	0	0	116.1
2109	Y	27.7	Very low	26.9	Very low	218.8 Å²	218.8	140.8 Å²	140.8	86%	0.858	76%	0.755	S	S	*	*				-160.2	117.8	122.1	-98.1	-82.3	0	0	0	110.4
2110	D	27.3	Very low	26.8	Very low	128.6 Å²	128.6	138.7 Å²	138.7	69%	0.688	76%	0.757	S	S	*	*				-168.7	140.9	115.1	-118.5	-25.3	0	0	0	112.8
2111	Q	26.8	Very low	26.8	Very low	147.4 Å²	147.4	137 Å²	137	69%	0.689	76%	0.76	S	S	*	*			trans	-118.8	-178.3	160.9	-105	-175.7	56.1	0	0	113	V2113	Q2111-V2113 HydrophobicContact CG-CG2 3.87Å; Q2111-V2113 VanDerWaalsContact OE1-CG2 3.27Å
2112	P	30.6	Very low	26.8	Very low	113 Å²	113	134 Å²	134	73%	0.734	75%	0.754	S	S	*	*			cis	-114.4	164.9	39.3	39.4	-28.1	0	0	0	116.1
2113	V	26.4	Very low	27	Very low	122.2 Å²	122.2	134.9 Å²	134.9	74%	0.741	75%	0.754	S	S	*	*			trans	-133.7	138.3	158.5	171.3	0	0	0	0	111.3	Q2111	Q2111-V2113 HydrophobicContact CG-CG2 3.87Å; Q2111-V2113 VanDerWaalsContact OE1-CG2 3.27Å
2114	S	25.3	Very low	27.1	Very low	102.2 Å²	102.2	132.8 Å²	132.8	72%	0.715	75%	0.751	S	S	*	*			trans	162.1	131.9	162.3	61	0	0	0	0	114.2
2115	M	25.9	Very low	27.2	Very low	178.2 Å²	178.2	134.6 Å²	134.6	88%	0.878	75%	0.752	S	S	*	*				178	125.4	118.3	-81.2	-161	167.9	0	0	112.2
2116	I	26	Very low	27.3	Very low	156.4 Å²	156.4	134.4 Å²	134.4	80%	0.802	75%	0.75	S	S	*	*			trans	111.3	126.5	137.9	-67.9	167.4	0	0	0	112.7
2117	S	26.2	Very low	27.3	Very low	100.6 Å²	100.6	132.5 Å²	132.5	70%	0.703	75%	0.748	S	S	*	*			trans	-42.4	109	164	170.2	0	0	0	0	114.7
2118	N	27.2	Very low	27.3	Very low	143.2 Å²	143.2	130.2 Å²	130.2	77%	0.766	74%	0.742	S	S	*	*				30.9	124.4	127.6	-67.6	-10.8	0	0	0	115.9	A2120	N2118-A2120 PolarHBondContact O-N 3.4Å
2119	N	27.4	Very low	27.3	Very low	165.6 Å²	165.6	133.6 Å²	133.6	89%	0.886	75%	0.751	S	S	*	*			trans	-103	139.1	145.9	-89.1	-28.3	0	0	0	111.5
2120	A	28.4	Very low	27.3	Very low	91.4 Å²	91.4	127.4 Å²	127.4	76%	0.755	75%	0.745	S	S	*	*			trans	-129.8	114	166.5	0	0	0	0	0	110.1	N2118 T2122	N2118-A2120 PolarHBondContact O-N 3.4Å; A2120-T2122 PolarHBondContact O-N 3.02Å
2121	V	27.9	Very low	27.2	Very low	134.6 Å²	134.6	126.8 Å²	126.8	82%	0.816	75%	0.751	S	S	*	*			trans	-132.7	109.5	145.3	170.7	0	0	0	0	109.8
2122	T	29.1	Very low	27.2	Very low	109.6 Å²	109.6	124.7 Å²	124.7	67%	0.672	76%	0.759	S	S	*	*			trans	75.4	121.9	159.5	24	0	0	0	0	116.4	A2120	A2120-T2122 PolarHBondContact O-N 3.02Å
2123	N	29.3	Very low	27.1	Very low	152 Å²	152	122.7 Å²	122.7	81%	0.813	76%	0.759	S	S	*	*			trans	53.8	123.2	142	-52.4	-17.2	0	0	0	118
2124	G	27.6	Very low	27.1	Very low	65 Å²	65	123.2 Å²	123.2	67%	0.67	76%	0.762	S	S	*	*				130.1	119.9	111	0	0	0	0	0	114
2125	L	27.2	Very low	27.2	Very low	139 Å²	139	123.4 Å²	123.4	73%	0.728	76%	0.763	S	S	*	*				123.6	142	114	-76.3	161.9	0	0	0	113.1	T2338 Y2339 K2340	L2125-T2338 HydrophobicContact CB-CG2 4.36Å; L2125-T2338 HydrophobicContact CD2-CG2 4.27Å; L2125-Y2339 VanDerWaalsContact CB-N 3.32Å; L2125-Y2339 WeakPolarHBondContact CB-O 3.43Å; L2125-Y2339 WeakPolarHBondContact CD1-O 3.26Å; L2125-K2340 HydrophobicContact CB-CB 4.21Å; L2125-K2340 HydrophobicContact CB-CG 4.33Å; L2125-K2340 WeakPolarHBondContact O-CB 3.44Å; L2125-K2340 WeakPolarHBondContact O-CD 3.49Å; L2125-K2340 WeakPolarHBondContact O-CE 3.47Å; L2125-K2340 WeakPolarHBondContact O-CG 3.28Å
2126	I	28.5	Very low	27.3	Very low	127.6 Å²	127.6	119.5 Å²	119.5	65%	0.654	75%	0.754	S	S	*	*			trans	64.4	122.6	140.1	-72.9	168.6	0	0	0	117.9	T2338 Y2339 K2340	I2126-T2338 WeakPolarHBondContact CA-O 3.44Å; I2126-T2338 PolarHBondContact N-O 2.89Å; I2126-Y2339 VanDerWaalsContact CB-CA 3.48Å; I2126-Y2339 HydrophobicContact CB-CD1 2.74Å; I2126-Y2339 HydrophobicContact CB-CD2 3.57Å; I2126-Y2339 HydrophobicContact CB-CE1 3.18Å; I2126-Y2339 HydrophobicContact CB-CE2 3.92Å; I2126-Y2339 HydrophobicContact CB-CG 2.95Å; I2126-Y2339 HydrophobicContact CD1-CD1 2.29Å; I2126-Y2339 HydrophobicContact CD1-CD2 2.3Å; I2126-Y2339 HydrophobicContact CD1-CE1 2.3Å; I2126-Y2339 HydrophobicContact CD1-CE2 2.3Å; I2126-Y2339 HydrophobicContact CD1-CG 2.3Å; I2126-Y2339 WeakPolarHBondContact CD1-OH 3.16Å; I2126-Y2339 HydrophobicContact CG1-CD1 2.31Å; I2126-Y2339 HydrophobicContact CG1-CD2 2.31Å; I2126-Y2339 HydrophobicContact CG1-CE1 2.3Å; I2126-Y2339 HydrophobicContact CG1-CE2 2.31Å; I2126-Y2339 HydrophobicContact CG1-CG 2.31Å; I2126-Y2339 WeakPolarHBondContact CG1-OH 3.41Å; I2126-Y2339 HydrophobicContact CG2-CD1 3.23Å; I2126-Y2339 HydrophobicContact CG2-CE1 3.23Å; I2126-Y2339 HydrophobicContact CG2-CG 4.11Å; I2126-K2340 HydrophobicContact CB-CB 4.06Å; I2126-K2340 HydrophobicContact CG2-CB 3.62Å
2127	L	25.9	Very low	27.4	Very low	142.6 Å²	142.6	120.2 Å²	120.2	75%	0.747	75%	0.753	S	S	*	*				176.6	138.6	115.2	-152.5	62.1	0	0	0	112.7	Y2339	L2127-Y2339 HydrophobicContact CB-CE2 4.37Å; L2127-Y2339 PolarHBondContact O-OH 3.17Å; L2127-Y2339 VanDerWaalsContact O-OH 3.08Å
2128	S	26.5	Very low	27.5	Very low	90.8 Å²	90.8	123.1 Å²	123.1	64%	0.635	75%	0.753	S	S	*	*				149.7	138.7	118.2	82.5	0	0	0	0	112.7	Y2339	S2128-Y2339 PolarHBondContact OG-OH 3.27Å
2129	Q	27.1	Very low	27.6	Very low	176.8 Å²	176.8	122.8 Å²	122.8	83%	0.826	75%	0.748	S	S	*	*				-165.4	154.1	113.5	-79.2	169.3	8.9	0	0	113.6
2130	A	26.1	Very low	27.7	Very low	89.4 Å²	89.4	120.7 Å²	120.7	74%	0.739	74%	0.736	S	S	*	*				49.8	144.3	120	0	0	0	0	0	117.9
2131	S	26.6	Very low	27.9	Very low	114.8 Å²	114.8	124.5 Å²	124.5	80%	0.803	74%	0.738	S	S	*	*			cis	172.5	164	8.2	53.9	0	0	0	0	112.9
2132	A	26.5	Very low	27.8	Very low	103.2 Å²	103.2	122.1 Å²	122.1	85%	0.853	73%	0.732	S	S	*	*			trans	56.5	145.1	176.1	0	0	0	0	0	117.6
2133	G	27.3	Very low	27.8	Very low	72 Å²	72	122.7 Å²	122.7	74%	0.742	74%	0.739	S	S	*	*			trans	131.3	151.7	136.6	0	0	0	0	0	117
2134	V	27.6	Very low	27.8	Very low	132.8 Å²	132.8	122.8 Å²	122.8	81%	0.805	74%	0.74	S	S	*	*				111.3	95.7	89.5	-178.9	0	0	0	0	115.4
2135	S	26	Very low	28.2	Very low	105 Å²	105	125.2 Å²	125.2	73%	0.734	74%	0.744	S	S	*	*			trans	65.7	161.1	143.9	84.7	0	0	0	0	117.6
2136	S	28.1	Very low	28.4	Very low	96.6 Å²	96.6	126 Å²	126	68%	0.676	75%	0.747	S	S	*	*			cis	-175.8	148.3	21.1	13.8	0	0	0	0	112.5
2137	Q	28.7	Very low	28.3	Very low	171.2 Å²	171.2	128.5 Å²	128.5	80%	0.8	75%	0.753	S	S	*	*				81.5	135.3	120.1	-102.2	-172.2	9.9	0	0	118.4
2138	K	28.7	Very low	28.5	Very low	161.8 Å²	161.8	131 Å²	131	70%	0.703	76%	0.758	S	S	*	*				148.1	131	98.9	-111.6	179.5	170.2	-159.4	0	116.2
2139	Q	29.6	Very low	28.7	Very low	137.2 Å²	137.2	132.3 Å²	132.3	64%	0.641	76%	0.759	S	S	*	*				68.3	132.1	119.9	-85	-179.5	-49.9	0	0	120
2140	N	29.3	Very low	29	Very low	121.2 Å²	121.2	132.3 Å²	132.3	65%	0.648	76%	0.759	S	S	*	*				125.7	124.7	123.1	-77.9	3.2	0	0	0	116.8
2141	H	31.4	Very low	29.1	Very low	171.8 Å²	171.8	135.4 Å²	135.4	80%	0.795	76%	0.762	S	S	*	*			trans	67.8	138.5	131.1	-65.6	-58.2	0	0	0	119.6
2142	A	27.4	Very low	29.5	Very low	83 Å²	83	135.2 Å²	135.2	69%	0.686	76%	0.758	S	S	*	*			cis	153	163.3	14.7	0	0	0	0	0	115.4
2143	C	29.1	Very low	29.7	Very low	122.6 Å²	122.6	136 Å²	136	83%	0.828	75%	0.752	S	S	*	*			trans	74.8	116.8	161.8	-58.2	0	0	0	0	120.4
2144	D	27.9	Very low	29.8	Very low	153.8 Å²	153.8	139.1 Å²	139.1	82%	0.822	75%	0.752	S	S	*	*				-26.4	157.9	122.6	-84.9	-18.7	0	0	0	116.6
2145	P	36.7	Very low	30.1	Very low	115.4 Å²	115.4	140.2 Å²	140.2	75%	0.749	75%	0.748	S	S	*	*			trans	-125.3	147.9	176.8	40.4	-29.7	0	0	0	116.3
2146	I	31.3	Very low	30.5	Very low	157.4 Å²	157.4	142.6 Å²	142.6	81%	0.807	75%	0.747	S	S	*	*			trans	-173.7	133.6	153.1	-66.5	176	0	0	0	114.5
2147	K	26.5	Very low	30.6	Very low	178.2 Å²	178.2	142.2 Å²	142.2	78%	0.775	74%	0.744	S	S	*	*			trans	-52.3	155.5	169.9	-53.4	170.7	179.3	175.9	0	116.3
2148	F	30.6	Very low	30.9	Very low	195 Å²	195	141.4 Å²	141.4	86%	0.855	74%	0.74	S	S	*	*				-145.6	147.1	125.9	-105.8	-90.5	0	0	0	110.4
2149	N	29.3	Very low	31.1	Very low	119.6 Å²	119.6	140.9 Å²	140.9	64%	0.64	74%	0.74	S	S	*	*			trans	-65.1	154.3	148.5	-64.5	-23.9	0	0	0	113.2
2150	Q	33.3	Very low	31.2	Very low	176.8 Å²	176.8	140.2 Å²	140.2	83%	0.826	74%	0.741	S	S	*	*				-173.9	154.1	64.8	-88.9	150.8	-21.2	0	0	113
2151	L	29.6	Very low	31.3	Very low	155 Å²	155	141.4 Å²	141.4	81%	0.812	75%	0.745	S	S	*	*				-21.1	161.7	98.9	-116.1	70.3	0	0	0	114.5
2152	P	34.9	Very low	31.3	Very low	109.6 Å²	109.6	137.6 Å²	137.6	71%	0.712	74%	0.738	S	S	*	*			cis	-126.8	-173.4	-3.6	37	-18	0	0	0	115.4
2153	T	31.3	Very low	31.5	Very low	120.8 Å²	120.8	144.5 Å²	144.5	74%	0.741	75%	0.747	S	S	*	*			trans	-119.4	166.1	162.3	40.1	0	0	0	0	115.5
2154	D	29.5	Very low	31.5	Very low	137 Å²	137	145.9 Å²	145.9	73%	0.733	75%	0.745	S	S	*	*			trans	-148.4	-170.2	152.2	-99.9	-71.4	0	0	0	113.2
2155	H	33.7	Very low	31.9	Very low	154.6 Å²	154.6	143.7 Å²	143.7	72%	0.716	74%	0.739	S	S	*	*				-167.3	151.2	103.4	-101.5	-27.6	0	0	0	115.1
2156	H	33.9	Very low	31.7	Very low	155.6 Å²	155.6	144.1 Å²	144.1	72%	0.72	74%	0.739	S	S	*	*			trans	67.4	166.6	143.8	-77.9	-48.5	0	0	0	117.9
2157	S	30.5	Very low	31.6	Very low	88.6 Å²	88.6	143 Å²	143	62%	0.62	74%	0.735	S	S	*	*			cis	178	154.8	-1.8	71.1	0	0	0	0	115.1
2158	H	33.6	Very low	31.9	Very low	155.2 Å²	155.2	140.9 Å²	140.9	72%	0.719	73%	0.732	S	S	*	*			trans	101	134.7	151.1	-81.9	-68.8	0	0	0	118.9
2159	H	34.1	Very low	31.9	Very low	151.2 Å²	151.2	138.6 Å²	138.6	70%	0.7	73%	0.729	S	S	*	*				69.8	152.5	129.6	-70.8	-54.6	0	0	0	118.3
2160	N	31.9	Very low	32.1	Very low	122.6 Å²	122.6	137.8 Å²	137.8	66%	0.656	73%	0.733	S	S	*	*			cis	161.6	142.1	9	-97.1	-10.8	0	0	0	112.5
2161	I	31.4	Very low	32.1	Very low	144.8 Å²	144.8	136 Å²	136	74%	0.743	73%	0.729	S	S	*	*				67.6	134.5	103.5	-72.2	166.8	0	0	0	115.2
2162	S	31.1	Very low	32.3	Very low	91.8 Å²	91.8	135 Å²	135	64%	0.642	72%	0.724	S	S	*	*				161.6	155.6	64.6	80.5	0	0	0	0	111.6
2163	R	31.5	Very low	32.2	Very low	229.8 Å²	229.8	136.2 Å²	136.2	87%	0.867	73%	0.725	S	S	*	*				112.1	144.6	90	-84.4	168.8	-178.1	-179.7	0.8	114.5
2164	L	29.4	Very low	32.3	Very low	152 Å²	152	136.8 Å²	136.8	80%	0.796	72%	0.724	S	S	*	*				-111.5	157.9	61.2	-121.6	79.2	0	0	0	113.2	T2166	L2164-T2166 HydrophobicContact CD2-CG2 3.87Å
2165	P	36.3	Very low	32.4	Very low	106.8 Å²	106.8	137.3 Å²	137.3	69%	0.694	73%	0.725	S	S	*	*			trans	-135.9	161.7	152.1	38.4	-22.7	0	0	0	116
2166	T	32.3	Very low	32.1	Very low	123.4 Å²	123.4	136.8 Å²	136.8	76%	0.757	73%	0.727	S	S	*	*			trans	105	132.9	144.9	52.2	0	0	0	0	113.8	L2164	L2164-T2166 HydrophobicContact CD2-CG2 3.87Å
2167	N	29.4	Very low	31.8	Very low	133.8 Å²	133.8	139.8 Å²	139.8	72%	0.716	73%	0.732	S	S	*	*			cis	121.3	131.5	47	-152.7	28.4	0	0	0	114.6
2168	N	33	Very low	31.7	Very low	134.8 Å²	134.8	141.4 Å²	141.4	72%	0.721	74%	0.738	S	S	*	*			trans	105.1	140.1	151.4	-77.2	-12.4	0	0	0	116.9
2169	N	30.1	Very low	31.4	Very low	146 Å²	146	139.7 Å²	139.7	78%	0.781	74%	0.738	S	S	*	*				-136.9	138.7	119.6	-66.4	-25.3	0	0	0	114.8
2170	S	34.1	Very low	31.1	Very low	103.4 Å²	103.4	139.6 Å²	139.6	72%	0.723	74%	0.741	S	S	*	*				175.4	137.2	128.2	53.8	0	0	0	0	112
2171	N	31.8	Very low	30.8	Very low	138.2 Å²	138.2	138.3 Å²	138.3	74%	0.739	74%	0.742	S	S	*	*				48.2	129.9	117.9	-65.6	15.5	0	0	0	115.5
2172	D	34.1	Very low	30.6	Very low	134 Å²	134	138.7 Å²	138.7	72%	0.717	74%	0.744	S	S	*	*				161.8	150.6	94.6	-79.8	-34.1	0	0	0	115.8
2173	N	33.3	Very low	30.5	Very low	135 Å²	135	140.1 Å²	140.1	72%	0.722	75%	0.749	S	S	*	*			trans	-141.6	147	138.4	-71.8	-64.9	0	0	0	114.7
2174	N	32.6	Very low	30.7	Very low	135.2 Å²	135.2	134.2 Å²	134.2	72%	0.723	74%	0.74	S	S	*	*				117.1	146.1	127.9	-74.1	-34.3	0	0	0	115.2
2175	I	31.4	Very low	30.6	Very low	145.8 Å²	145.8	132.9 Å²	132.9	75%	0.748	73%	0.734	S	S	*	*				-178.4	137.9	82.4	-80.7	151.9	0	0	0	112.6
2176	L	29	Very low	30.2	Very low	144.6 Å²	144.6	135 Å²	135	76%	0.757	73%	0.734	S	S	*	*			trans	165.6	138.9	136.5	-97.6	157.7	0	0	0	115.1
2177	R	26.7	Very low	30	Very low	218.8 Å²	218.8	136.5 Å²	136.5	83%	0.826	74%	0.736	S	S	*	*			trans	-139	139.2	141.5	-92.4	166	-176.8	162.8	-0.6	112.1
2178	T	28.3	Very low	29.9	Very low	122.8 Å²	122.8	134.1 Å²	134.1	75%	0.753	74%	0.735	S	S	*	*				115.6	146.4	117.7	-29	0	0	0	0	116
2179	T	27.4	Very low	29.8	Very low	118 Å²	118	135.1 Å²	135.1	72%	0.724	74%	0.739	S	S	*	*			trans	-100.3	134.8	164.6	21.4	0	0	0	0	116.7
2180	I	27.9	Very low	29.7	Very low	149.4 Å²	149.4	134.8 Å²	134.8	77%	0.766	74%	0.738	S	S	*	*			trans	57	121.7	137.4	-63.6	170	0	0	0	116.2	I2182	I2180-I2182 HydrophobicContact CG2-CD1 3.8Å
2181	S	24.9	Very low	29.5	Very low	95.2 Å²	95.2	135.1 Å²	135.1	67%	0.666	74%	0.74	S	S	*	*				147.4	142.9	104.8	82.1	0	0	0	0	114.5
2182	I	28.6	Very low	29.4	Very low	153.2 Å²	153.2	131.9 Å²	131.9	79%	0.786	74%	0.739	S	S	*	*			trans	102.3	127.8	142.5	-71.7	152.7	0	0	0	113.8	I2180	I2180-I2182 HydrophobicContact CG2-CD1 3.8Å
2183	V	28.4	Very low	29.2	Very low	122 Å²	122	132.9 Å²	132.9	74%	0.739	74%	0.744	S	S	*	*				83.4	141.4	125.4	178	0	0	0	0	113.2
2184	P	35.1	Very low	29.1	Very low	105.2 Å²	105.2	132.7 Å²	132.7	68%	0.683	75%	0.748	S	S	*	*			cis	-125.7	-163.9	-14.8	36.3	-17.9	0	0	0	112.2
2185	D	27.2	Very low	29	Very low	125.2 Å²	125.2	131.9 Å²	131.9	67%	0.67	75%	0.748	S	S	*	*			trans	70.7	143.5	154.8	-87.3	-4.7	0	0	0	120.9
2186	Q	28.1	Very low	29	Very low	151.8 Å²	151.8	130.3 Å²	130.3	71%	0.709	75%	0.747	S	S	*	*				110.5	148.4	102.3	-94.2	177.6	70.3	0	0	117.2
2187	I	28.2	Very low	29	Very low	154.2 Å²	154.2	132.7 Å²	132.7	79%	0.791	75%	0.752	S	S	*	*			trans	88.8	128.9	145.1	-68.5	165.3	0	0	0	116.1
2188	A	28.3	Very low	29.1	Very low	82.6 Å²	82.6	129.2 Å²	129.2	68%	0.683	75%	0.749	S	S	*	*			trans	168.8	152	151.3	0	0	0	0	0	114.6
2189	L	30.4	Very low	29.4	Very low	156.2 Å²	156.2	128.6 Å²	128.6	82%	0.818	75%	0.748	S	S	*	*				136.3	139.9	126.6	-84.3	171.8	0	0	0	114.9
2190	N	28.5	Very low	29.5	Very low	139.8 Å²	139.8	130.4 Å²	130.4	75%	0.748	75%	0.752	S	S	*	*			trans	65.5	123.4	161.4	-67.7	-13.5	0	0	0	119.5
2191	S	28.8	Very low	29.6	Very low	110.8 Å²	110.8	131.1 Å²	131.1	78%	0.775	75%	0.751	S	S	*	*				86.2	140.7	95.7	68.8	0	0	0	0	117.6
2192	G	30.7	Very low	29.8	Very low	69.4 Å²	69.4	133.2 Å²	133.2	72%	0.715	76%	0.755	S	S	*	*			trans	142	107	167.3	0	0	0	0	0	114.7
2193	N	29.6	Very low	30.1	Very low	155.2 Å²	155.2	133 Å²	133	83%	0.83	76%	0.756	S	S	*	*			trans	-75.5	149.1	167.6	-62.6	-21.7	0	0	0	114.2
2194	T	30.1	Very low	30.2	Very low	131.2 Å²	131.2	133.3 Å²	133.3	81%	0.805	75%	0.753	S	S	*	*				152.4	137.6	107.3	50.6	0	0	0	0	115.7
2195	V	30.5	Very low	30.2	Very low	118.6 Å²	118.6	134 Å²	134	72%	0.719	76%	0.757	S	S	*	*				-175.8	142.7	125.7	168.3	0	0	0	0	112.3	F2197	V2195-F2197 HydrophobicContact CG1-CD2 3.81Å; V2195-F2197 HydrophobicContact CG1-CE2 4.02Å
2196	P	31.5	Very low	30.3	Very low	112.2 Å²	112.2	136.3 Å²	136.3	73%	0.729	76%	0.761	S	S	*	*			trans	-113.6	175.7	158.1	32.6	-19.4	0	0	0	113.6
2197	F	29.7	Very low	30.4	Very low	194.4 Å²	194.4	135.2 Å²	135.2	85%	0.853	77%	0.765	S	S	*	*			trans	-172.1	146.6	170.8	-90.5	-80.2	0	0	0	115.7	V2195	V2195-F2197 HydrophobicContact CG1-CD2 3.81Å; V2195-F2197 HydrophobicContact CG1-CE2 4.02Å
2198	N	28.8	Very low	30.4	Very low	145 Å²	145	134.6 Å²	134.6	78%	0.775	76%	0.762	S	S	*	*			trans	-129.5	165.2	178.4	-121.1	3.9	0	0	0	111.7
2199	P	34.8	Very low	30.5	Very low	110.4 Å²	110.4	136.7 Å²	136.7	72%	0.717	76%	0.76	S	S	*	*			trans	-120.7	161.7	150.8	35.1	-22.8	0	0	0	113.5
2200	I	29.8	Very low	30.5	Very low	157.4 Å²	157.4	134.3 Å²	134.3	81%	0.807	75%	0.754	S	S	*	*				-159.2	154.1	50.4	-65.9	169.7	0	0	0	108.8
2201	Q	28.9	Very low	30.5	Very low	162.2 Å²	162.2	132.7 Å²	132.7	76%	0.758	75%	0.75	S	S	*	*			trans	-177.8	159.3	160.9	-86.1	177.3	-89	0	0	112.1
2202	D	30.8	Very low	30.6	Very low	139.4 Å²	139.4	133.6 Å²	133.6	75%	0.745	75%	0.751	S	S	*	*				173.8	164.3	120.2	-87.2	-19	0	0	0	111.2
2203	D	33.6	Very low	30.5	Very low	149.6 Å²	149.6	134.4 Å²	134.4	80%	0.8	75%	0.751	S	S	*	*			trans	-177.5	136.2	-164.7	-102.2	-21.3	0	0	0	116.2
2204	L	30.6	Very low	30.4	Very low	128.8 Å²	128.8	132.7 Å²	132.7	67%	0.674	75%	0.746	S	S	*	*			trans	-85.2	155.2	154.9	-125.4	78.4	0	0	0	112.5	K2206	L2204-K2206 HydrophobicContact CD2-CB 4.34Å; L2204-K2206 HydrophobicContact CD2-CD 4.18Å; L2204-K2206 HydrophobicContact CD2-CG 3.92Å
2205	P	35.6	Very low	30.4	Very low	118.6 Å²	118.6	133.9 Å²	133.9	77%	0.77	75%	0.746	S	S	*	*				-142.5	156.8	72	33.3	-13.8	0	0	0	116.2
2206	K	29	Very low	30.3	Very low	174.4 Å²	174.4	131.2 Å²	131.2	76%	0.758	74%	0.742	S	S	*	*				75.1	144.4	76.4	-79.7	173.7	179.8	173.5	0	115.1	L2204	L2204-K2206 HydrophobicContact CD2-CB 4.34Å; L2204-K2206 HydrophobicContact CD2-CD 4.18Å; L2204-K2206 HydrophobicContact CD2-CG 3.92Å
2207	V	29.7	Very low	30.2	Very low	129.8 Å²	129.8	132.1 Å²	132.1	79%	0.787	75%	0.745	S	S	*	*			trans	170.4	135.1	148.3	170.8	0	0	0	0	112.1	P2210	V2207-P2210 HydrophobicContact CG1-CG 4.42Å
2208	L	29.6	Very low	30	Very low	140.6 Å²	140.6	130.9 Å²	130.9	74%	0.736	74%	0.742	S	S	*	*			trans	-105	141.8	159.5	-127.9	65.6	0	0	0	111.8
2209	I	29.9	Very low	30	Very low	126.6 Å²	126.6	131.7 Å²	131.7	65%	0.649	74%	0.741	S	S	*	*			trans	81.6	136	130.3	-24.7	176.8	0	0	0	114	T2211 T2533 T2534 C2535	I2209-T2211 HydrophobicContact CG2-CG2 3.83Å; I2209-T2533 CarbonylContact C-O 3.02Å; I2209-T2533 WeakPolarHBondContact CA-O 3.3Å; I2209-T2533 WeakPolarHBondContact CB-O 3.33Å; I2209-T2533 VanDerWaalsContact CG2-O 3.26Å; I2209-T2533 WeakPolarHBondContact CG2-O 3.48Å; I2209-T2533 WeakPolarHBondContact CG2-OG1 3.32Å; I2209-T2534 WeakPolarHBondContact CB-O 3.37Å; I2209-T2534 WeakPolarHBondContact CD1-O 3.48Å; I2209-T2534 WeakPolarHBondContact CG1-O 3.49Å; I2209-T2534 VanDerWaalsContact CG2-N 3.31Å; I2209-T2534 CarbonylContact O-C 3.22Å; I2209-C2535 WeakPolarHBondContact O-CA 3.38Å; I2209-C2535 PolarHBondContact O-N 3.11Å; I2209-C2535 VanDerWaalsContact O-N 3.13Å
2210	P	30	Very low	29.6	Very low	106.6 Å²	106.6	137.7 Å²	137.7	69%	0.692	75%	0.75	S	S	*	*			trans	-121.4	153.6	147.5	35.6	-22.9	0	0	0	115.9	V2207 T2533	V2207-P2210 HydrophobicContact CG1-CG 4.42Å; P2210-T2533 CarbonylContact C-O 3.19Å; P2210-T2533 VanDerWaalsContact CA-O 3.26Å; P2210-T2533 WeakPolarHBondContact CA-O 3.46Å; P2210-T2533 WeakPolarHBondContact CD-O 3.33Å; P2210-T2533 CarbonylContact O-C 3.59Å; P2210-T2533 VanDerWaalsContact O-O 3.1Å
2211	T	29.5	Very low	29.4	Very low	106.4 Å²	106.4	138 Å²	138	65%	0.653	75%	0.752	S	S	*	*			trans	-62.4	156.2	151.5	22	0	0	0	0	116.5	I2209 A2213 N2532 T2533	I2209-T2211 HydrophobicContact CG2-CG2 3.83Å; T2211-A2213 PolarHBondContact O-N 2.85Å; T2211-N2532 PolarHBondContact OG1-OD1 2.84Å; T2211-T2533 VanDerWaalsContact OG1-C 3.26Å; T2211-T2533 WeakPolarHBondContact OG1-CA 3.39Å; T2211-T2533 PolarHBondContact OG1-N 2.84Å
2212	T	29.7	Very low	29.4	Very low	129.6 Å²	129.6	134 Å²	134	80%	0.795	75%	0.747	S	S	*	*			trans	26.5	138.9	149.4	2.5	0	0	0	0	116.9
2213	A	29.1	Very low	29.1	Very low	86 Å²	86	134.4 Å²	134.4	71%	0.711	75%	0.749	S	S	*	*				112.5	143.1	102.6	0	0	0	0	0	117.8	T2211	T2211-A2213 PolarHBondContact O-N 2.85Å
2214	T	28.3	Very low	28.9	Very low	118.6 Å²	118.6	133.5 Å²	133.5	73%	0.728	75%	0.748	S	S	*	*			trans	134.4	141	168.7	-43.9	0	0	0	0	115.1	H2731	T2214-H2731 PolarHBondContact O-CD2 3.44Å
2215	I	28.3	Very low	28.7	Very low	156.2 Å²	156.2	133.8 Å²	133.8	80%	0.801	75%	0.749	S	S	*	*			trans	95.2	137.8	149.8	-69	161.6	0	0	0	114.6	I2730 H2731	I2215-I2730 CarbonylContact O-C 3.03Å; I2215-I2730 WeakPolarHBondContact O-CA 3.29Å; I2215-I2730 PolarHBondContact O-N 2.9Å; I2215-H2731 PolarHBondContact O-N 2.88Å
2216	G	28.2	Very low	28.3	Very low	63 Å²	63	135.7 Å²	135.7	65%	0.649	75%	0.748	S	S	*	*			trans	146	139.5	158.2	0	0	0	0	0	116.5	I2730	G2216-I2730 WeakPolarHBondContact CA-O 3.36Å
2217	V	29.8	Very low	28.3	Very low	130.8 Å²	130.8	135.2 Å²	135.2	79%	0.793	75%	0.748	S	S	*	*			trans	-21.5	121.8	159.1	-178.8	0	0	0	0	115.6	Q2219	V2217-Q2219 PolarHBondContact O-N 3.34Å
2218	Q	26.3	Very low	28.3	Very low	169.2 Å²	169.2	134.4 Å²	134.4	79%	0.791	74%	0.744	S	S	*	*				61.1	112.5	123.7	-129	176.4	-5.3	0	0	118.2
2219	Q	28.7	Very low	28.3	Very low	161.6 Å²	161.6	134.1 Å²	134.1	76%	0.755	74%	0.743	S	S	*	*			trans	122.6	117.5	134.3	-144	161.8	38.1	0	0	117.1	V2217 L2221	V2217-Q2219 PolarHBondContact O-N 3.34Å; Q2219-L2221 HydrophobicContact CG-CD2 4.47Å
2220	R	25.7	Very low	28.4	Very low	236.8 Å²	236.8	136.5 Å²	136.5	89%	0.894	75%	0.751	S	S	*	*			trans	-152.1	122	137.3	-78.7	-178.6	173.2	170.2	-2.6	111.4
2221	L	26.8	Very low	28.3	Very low	162.4 Å²	162.4	141 Å²	141	85%	0.85	75%	0.754	S	S	*	*				113.4	130.6	101.9	-122.8	92	0	0	0	111.7	Q2219	Q2219-L2221 HydrophobicContact CG-CD2 4.47Å
2222	A	27.5	Very low	28.3	Very low	78.2 Å²	78.2	145.8 Å²	145.8	65%	0.646	76%	0.76	S	S	*	*			trans	62.7	121.9	143.5	0	0	0	0	0	115.1
2223	N	25.7	Very low	28.2	Very low	148.2 Å²	148.2	149.1 Å²	149.1	79%	0.793	76%	0.764	S	S	*	*			trans	106.2	128.9	145.2	-75.3	-14.1	0	0	0	116	I2225	N2223-I2225 HydrophobicContact CB-CD1 3.96Å; N2223-I2225 HydrophobicContact CB-CG1 4.23Å
2224	V	28	Very low	28.1	Very low	130.8 Å²	130.8	149.2 Å²	149.2	79%	0.793	76%	0.76	S	S	*	*			trans	169.8	105.7	160.6	168.8	0	0	0	0	109.5	E2226	V2224-E2226 PolarHBondContact O-N 2.97Å
2225	I	27	Very low	28.2	Very low	134.6 Å²	134.6	151.9 Å²	151.9	69%	0.69	76%	0.764	S	S	*	*				74.3	111.3	87.6	-61.8	175.1	0	0	0	112	N2223 Q2227	N2223-I2225 HydrophobicContact CB-CD1 3.96Å; N2223-I2225 HydrophobicContact CB-CG1 4.23Å; I2225-Q2227 PolarHBondContact O-N 2.82Å
2226	E	27.5	Very low	28.1	Very low	159.4 Å²	159.4	151.4 Å²	151.4	75%	0.745	76%	0.762	S	S	*	*			trans	24.5	119.9	150.4	-113.1	175.4	176.3	0	0	116	V2224	V2224-E2226 PolarHBondContact O-N 2.97Å
2227	Q	28.1	Very low	28.1	Very low	164 Å²	164	155.6 Å²	155.6	77%	0.766	77%	0.768	S	S	*	*			trans	136	146.8	137.8	-78.4	174.6	41.8	0	0	111.1	I2225	I2225-Q2227 PolarHBondContact O-N 2.82Å
2228	T	29.7	Very low	28	Very low	113.8 Å²	113.8	154.2 Å²	154.2	70%	0.698	77%	0.77	S	S	*	*			cis	-165.8	148.5	34	28.5	0	0	0	0	113.4
2229	N	30.2	Very low	28	Very low	133.2 Å²	133.2	149.8 Å²	149.8	71%	0.712	77%	0.77	S	S	*	*			trans	50	132.5	143.7	-73.2	-49.1	0	0	0	116.3
2230	H	31.3	Very low	28.1	Very low	177.4 Å²	177.4	146.4 Å²	146.4	82%	0.821	77%	0.77	S	S	*	*			trans	-160.5	137.5	134.8	-90.1	-21.7	0	0	0	112
2231	R	29.6	Very low	28.3	Very low	201.4 Å²	201.4	142.4 Å²	142.4	76%	0.76	77%	0.766	S	S	*	*				134.5	120.2	107.3	-116.4	175.8	179.9	173.5	0.6	113
2232	R	28.6	Very low	28.4	Very low	206.2 Å²	206.2	140.9 Å²	140.9	78%	0.778	76%	0.763	S	S	*	*				75.3	128.6	109.4	-78.7	175.9	178.5	175.8	-2.1	116.5
2233	K	27	Very low	28.4	Very low	198.6 Å²	198.6	142.8 Å²	142.8	86%	0.863	77%	0.767	S	S	*	*				63.7	140.8	128.1	-73.3	-172.4	176	-172.6	0	115.3
2234	S	28.2	Very low	28.7	Very low	89.4 Å²	89.4	141.7 Å²	141.7	63%	0.625	77%	0.765	S	S	*	*			cis	165	153.8	-30.8	57.2	0	0	0	0	112.7
2235	Q	29.6	Very low	28.8	Very low	174.4 Å²	174.4	141.5 Å²	141.5	82%	0.815	76%	0.76	S	S	*	*			trans	74	146.8	165.1	-61.2	174.9	-18.7	0	0	117.4
2236	L	26.7	Very low	28.9	Very low	145 Å²	145	140.8 Å²	140.8	76%	0.759	76%	0.762	S	S	*	*			cis	144.6	140.6	-35.5	-105.7	103.3	0	0	0	112.2
2237	I	27.2	Very low	29.1	Very low	152.6 Å²	152.6	138 Å²	138	78%	0.783	76%	0.757	S	S	*	*				67.3	128.4	124.7	-63	166	0	0	0	116.1
2238	A	27.7	Very low	29.1	Very low	101.4 Å²	101.4	136.3 Å²	136.3	84%	0.838	76%	0.758	S	S	*	*			trans	73.5	147	148.4	0	0	0	0	0	118.3
2239	G	27.9	Very low	29.2	Very low	75.4 Å²	75.4	136.2 Å²	136.2	78%	0.777	76%	0.762	S	S	*	*			cis	144.9	128.9	-6.3	0	0	0	0	0	113.8
2240	A	30.5	Very low	29	Very low	92 Å²	92	137.7 Å²	137.7	76%	0.76	77%	0.765	S	S	*	*			trans	85.6	123.2	157.7	0	0	0	0	0	115.8
2241	N	28.6	Very low	28.9	Very low	152 Å²	152	138.9 Å²	138.9	81%	0.813	77%	0.768	S	S	*	*				62.4	127.1	126.7	-64.4	-12.5	0	0	0	120
2242	V	30.1	Very low	28.8	Very low	130.4 Å²	130.4	133.9 Å²	133.9	79%	0.79	76%	0.764	S	S	*	*			trans	175.5	128.2	133.9	167	0	0	0	0	112.1	V2244	V2242-V2244 HydrophobicContact CG1-CG2 4.22Å
2243	V	27.9	Very low	28.8	Very low	118.4 Å²	118.4	131.6 Å²	131.6	72%	0.718	77%	0.768	S	S	*	*			trans	-156.1	133.6	157.4	165.4	0	0	0	0	111.8
2244	V	31.8	Very low	28.8	Very low	125.6 Å²	125.6	127.7 Å²	127.7	76%	0.761	77%	0.765	S	S	*	*			trans	-147.1	128.3	151.5	173.1	0	0	0	0	109.5	V2242	V2242-V2244 HydrophobicContact CG1-CG2 4.22Å
2245	N	29	Very low	28.9	Very low	127 Å²	127	131.5 Å²	131.5	68%	0.679	78%	0.777	S	S	*	*			trans	8	147.8	151.5	-62.5	-16.9	0	0	0	116
2246	T	29.2	Very low	29	Very low	119.6 Å²	119.6	128.4 Å²	128.4	73%	0.734	77%	0.774	S	S	*	*				-164.3	173.4	59	16.1	0	0	0	0	111.1
2247	P	32.2	Very low	29.3	Very low	100.4 Å²	100.4	126.6 Å²	126.6	65%	0.652	77%	0.774	S	S	*	*			trans	-114.9	166.4	-167.6	28.2	-15.6	0	0	0	114.7
2248	T	28.2	Very low	29.9	Very low	127.6 Å²	127.6	124.9 Å²	124.9	78%	0.783	77%	0.773	S	S	*	*			trans	40.9	125.4	146.3	16	0	0	0	0	117.7
2249	S	31.6	Very low	30.4	Very low	111.6 Å²	111.6	125.7 Å²	125.7	78%	0.78	77%	0.769	S	S	*	*				-151.1	150.2	107.9	78.8	0	0	0	0	111.8
2250	Q	27.1	Very low	31.1	Very low	166.2 Å²	166.2	127.6 Å²	127.6	78%	0.777	77%	0.768	S	S	*	*			trans	-107.9	161.7	155.7	-78.7	170.8	-19	0	0	112.6
2251	F	28.9	Very low	31.9	Very low	200.8 Å²	200.8	128.9 Å²	128.9	88%	0.881	77%	0.769	S	S	*	*			trans	-173.6	145.2	152.1	-88.5	-72.8	0	0	0	112.9
2252	S	26.4	Very low	32.5	Very low	97.4 Å²	97.4	127.1 Å²	127.1	68%	0.681	77%	0.765	S	S	*	*			trans	-99.6	145.3	164.9	53.3	0	0	0	0	114
2253	N	28.8	Very low	32.9	Very low	158.8 Å²	158.8	126 Å²	126	85%	0.849	76%	0.761	S	S	*	*			trans	-157.4	148	139.8	-80.8	-30.2	0	0	0	113.8
2254	S	28.2	Very low	33.5	Very low	116.4 Å²	116.4	126 Å²	126	81%	0.814	76%	0.763	S	S	*	*			trans	-127.6	127.7	164.6	14	0	0	0	0	112.6
2255	I	30.3	Very low	33.6	Very low	169.2 Å²	169.2	128.7 Å²	128.7	87%	0.868	77%	0.767	S	S	*	*			trans	-128.4	133.7	158.7	-64.4	170.7	0	0	0	110.3
2256	S	30.8	Very low	33.6	Very low	107.6 Å²	107.6	130 Å²	130	75%	0.752	77%	0.769	S	S	*	*			trans	171.7	120.8	163.3	174.1	0	0	0	0	113.7
2257	S	32.5	Very low	33.6	Very low	109.2 Å²	109.2	134.9 Å²	134.9	76%	0.764	77%	0.774	S	S	*	*			trans	-123.4	148.7	160.9	38.1	0	0	0	0	112.7
2258	P	39.6	Very low	33.5	Very low	116.6 Å²	116.6	135.1 Å²	135.1	76%	0.757	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-87.3	155.4	-163.7	25.8	-22	0	0	0	112.6
2259	P	39.2	Very low	33.5	Very low	117.2 Å²	117.2	139 Å²	139	76%	0.761	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-77.8	158.4	179.3	24.4	-24.4	0	0	0	113.2
2260	P	43	Very low	33.5	Very low	115.4 Å²	115.4	139.4 Å²	139.4	75%	0.749	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-70.9	155.2	177.3	21.6	-23.8	0	0	0	113
2261	P	46.1	Very low	33.6	Very low	119.6 Å²	119.6	136.9 Å²	136.9	78%	0.777	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-71.5	146.1	-179.1	29.5	-35.4	0	0	0	113.1
2262	P	42.2	Very low	33.6	Very low	114 Å²	114	134.6 Å²	134.6	74%	0.74	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-75.6	156.4	176.8	22.7	-23.9	0	0	0	113.1
2263	P	38.6	Very low	33.7	Very low	108 Å²	108	137.2 Å²	137.2	70%	0.701	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-68.4	151.9	176.8	10.2	-8.7	0	0	0	112.9	H2265	P2263-H2265 PolarHBondContact O-N 3.33Å
2264	P	40.4	Very low	33.8	Very low	117.2 Å²	117.2	134.2 Å²	134.2	76%	0.761	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-75.1	123.2	-176.3	29.9	-34.8	0	0	0	112.6	Q2266	P2264-Q2266 PolarHBondContact O-N 3.07Å
2265	H	34.2	Very low	33.8	Very low	183.6 Å²	183.6	135.3 Å²	135.3	85%	0.85	77%	0.768	S	S	*	*			trans	-87.9	133.6	168.8	-86.5	-89.2	0	0	0	111.1	P2263 R2267	P2263-H2265 PolarHBondContact O-N 3.33Å; H2265-R2267 PolarHBondContact O-N 3.37Å
2266	Q	28.7	Very low	33.9	Very low	154.4 Å²	154.4	134 Å²	134	72%	0.721	76%	0.763	S	S	*	*			trans	-53.7	127.9	170.1	-63.3	174.1	0.9	0	0	112.4	P2264 T2268	P2264-Q2266 PolarHBondContact O-N 3.07Å; Q2266-T2268 PolarHBondContact O-N 3.45Å
2267	R	29.3	Very low	33.9	Very low	222 Å²	222	135.9 Å²	135.9	84%	0.838	76%	0.764	S	S	*	*			trans	-115.6	121.1	153.7	-94.8	-178.3	-166.7	-141.1	-0.8	110.2	H2265 Y2269 E2904	H2265-R2267 PolarHBondContact O-N 3.37Å; R2267-Y2269 WeakPolarHBondContact O-CD2 3.23Å; R2267-Y2269 PolarHBondContact O-N 3.21Å; R2267-E2904 IonicContact CZ-OE1 3.25Å; R2267-E2904 VanDerWaalsContact CZ-OE1 3.25Å; R2267-E2904 IonicContact CZ-OE2 3.82Å; R2267-E2904 IonicContact NE-OE1 2.92Å; R2267-E2904 PolarHBondContact NE-OE1 2.74Å; R2267-E2904 IonicContact NH2-OE1 2.84Å; R2267-E2904 PolarHBondContact NH2-OE1 3.01Å; R2267-E2904 IonicContact NH2-OE2 2.72Å; R2267-E2904 PolarHBondContact NH2-OE2 3Å
2268	T	28.8	Very low	33.7	Very low	104.8 Å²	104.8	138.8 Å²	138.8	64%	0.643	77%	0.768	S	S	*	*			trans	-125.2	144.1	173.3	-54.1	0	0	0	0	110.2	Q2266	Q2266-T2268 PolarHBondContact O-N 3.45Å
2269	Y	28.7	Very low	33.1	Very low	208.4 Å²	208.4	137.9 Å²	137.9	82%	0.817	76%	0.764	S	S	*	*			trans	29.2	152.4	174.5	-63.3	-73.4	0	0	0	115.5	R2267 S2271	R2267-Y2269 WeakPolarHBondContact O-CD2 3.23Å; R2267-Y2269 PolarHBondContact O-N 3.21Å; Y2269-S2271 PolarHBondContact O-N 2.93Å
2270	P	31.3	Very low	32.8	Very low	121.2 Å²	121.2	138 Å²	138	79%	0.787	76%	0.763	S	S	*	*			trans	-95.9	145.3	-174.5	33.8	-29.5	0	0	0	113.4	N2272	P2270-N2272 VanDerWaalsContact C-N 3.3Å; P2270-N2272 PolarHBondContact O-N 2.94Å
2271	S	28.8	Very low	32.1	Very low	112.4 Å²	112.4	140.6 Å²	140.6	79%	0.786	77%	0.765	S	S	*	*			trans	-104.7	126	163.9	93.8	0	0	0	0	110.3	Y2269 N2273	Y2269-S2271 PolarHBondContact O-N 2.93Å; S2271-N2273 VanDerWaalsContact C-N 3.25Å; S2271-N2273 PolarHBondContact O-N 3.19Å
2272	N	29.2	Very low	31.3	Very low	153 Å²	153	141.9 Å²	141.9	82%	0.818	77%	0.765	S	S	*	*			trans	-108.1	123.9	168	-103.5	-10	0	0	0	111.9	P2270 S2274	P2270-N2272 VanDerWaalsContact C-N 3.3Å; P2270-N2272 PolarHBondContact O-N 2.94Å; N2272-S2274 VanDerWaalsContact C-N 3.27Å; N2272-S2274 PolarHBondContact O-N 3.39Å; N2272-S2274 VanDerWaalsContact O-N 3.12Å
2273	N	28.4	Very low	30.7	Very low	152.6 Å²	152.6	140.9 Å²	140.9	82%	0.816	76%	0.76	S	S	*	*			trans	-99.8	115.2	161.8	-95.6	-12.4	0	0	0	112.6	S2271	S2271-N2273 VanDerWaalsContact C-N 3.25Å; S2271-N2273 PolarHBondContact O-N 3.19Å
2274	S	30.6	Very low	30.3	Very low	95.8 Å²	95.8	141 Å²	141	67%	0.67	76%	0.759	S	S	*	*			trans	-138.3	113.6	146.7	98.4	0	0	0	0	115	N2272 N2276	N2272-S2274 VanDerWaalsContact C-N 3.27Å; N2272-S2274 PolarHBondContact O-N 3.39Å; N2272-S2274 VanDerWaalsContact O-N 3.12Å; S2274-N2276 PolarHBondContact O-N 2.9Å
2275	N	30.1	Very low	29.9	Very low	138.8 Å²	138.8	143.3 Å²	143.3	74%	0.742	76%	0.76	S	S	*	*			trans	-30.3	123.4	147	-71.7	-18.2	0	0	0	114.9
2276	N	32.2	Very low	29.6	Very low	143.2 Å²	143.2	141.3 Å²	141.3	77%	0.766	75%	0.754	S	S	*	*			trans	159.6	125	135.7	-82.4	-24.7	0	0	0	115.2	S2274	S2274-N2276 PolarHBondContact O-N 2.9Å
2277	N	29.9	Very low	29.8	Very low	147.2 Å²	147.2	140.3 Å²	140.3	79%	0.787	75%	0.754	S	S	*	*			trans	-29.3	141.4	152.1	-66.2	-20.5	0	0	0	115
2278	M	28.5	Very low	29.8	Very low	169 Å²	169	135.6 Å²	135.6	83%	0.833	75%	0.75	S	S	*	*				-166.7	123	114.4	-102.3	-135.7	-68.6	0	0	110.1
2279	S	27.5	Very low	30.1	Very low	98.2 Å²	98.2	135.9 Å²	135.9	69%	0.687	75%	0.754	S	S	*	*				-171.1	142.5	83.3	-48.2	0	0	0	0	110.9
2280	T	31.4	Very low	30.1	Very low	118.6 Å²	118.6	131.9 Å²	131.9	73%	0.728	75%	0.751	S	S	*	*			trans	72.7	128.4	146.8	48.4	0	0	0	0	115.5
2281	E	29.5	Very low	30	Very low	171.6 Å²	171.6	130.9 Å²	130.9	80%	0.802	75%	0.747	S	S	*	*				155	148.4	75.8	-101.6	177	-177.4	0	0	112.9
2282	L	28.2	Very low	29.9	Very low	145.8 Å²	145.8	130.5 Å²	130.5	76%	0.763	74%	0.743	S	S	*	*				86.7	135.2	110.3	-113.9	110.5	0	0	0	117.3
2283	S	29.8	Very low	29.9	Very low	93.4 Å²	93.4	130 Å²	130	65%	0.653	74%	0.739	S	S	*	*			trans	35	152.9	134.3	-35.2	0	0	0	0	119.1
2284	T	30.9	Very low	29.8	Very low	110 Å²	110	129.7 Å²	129.7	68%	0.675	73%	0.734	S	S	*	*			cis	149.7	152.4	34.2	33.9	0	0	0	0	113.9
2285	H	30.9	Very low	29.7	Very low	166 Å²	166	130 Å²	130	77%	0.769	73%	0.733	S	S	*	*				154.6	152.9	100.4	-90.8	-49.4	0	0	0	112.5
2286	L	29.1	Very low	29.6	Very low	140.2 Å²	140.2	131.7 Å²	131.7	73%	0.734	74%	0.736	S	S	*	*			trans	81.8	143	142.2	-87.6	97	0	0	0	113.2
2287	N	32.2	Very low	29.3	Very low	134.2 Å²	134.2	129 Å²	129	72%	0.718	73%	0.728	S	S	*	*				176.8	136	57	-98	-16.1	0	0	0	113.8
2288	T	29.3	Very low	29.3	Very low	123.2 Å²	123.2	127.8 Å²	127.8	76%	0.756	73%	0.727	S	S	*	*			trans	23.9	158.5	132.4	50.7	0	0	0	0	116.3
2289	P	34.7	Very low	29.2	Very low	111.4 Å²	111.4	125.7 Å²	125.7	72%	0.723	72%	0.724	S	S	*	*			cis	-126.1	-173.8	-13.3	38.4	-21.9	0	0	0	114.9
2290	T	30.5	Very low	29.3	Very low	125 Å²	125	127.2 Å²	127.2	77%	0.767	73%	0.728	S	S	*	*			trans	116.6	144.1	153.8	-5.6	0	0	0	0	114.8
2291	S	28.1	Very low	29.2	Very low	99.8 Å²	99.8	128 Å²	128	70%	0.698	73%	0.733	S	S	*	*			cis	156.1	142.9	45.7	42.4	0	0	0	0	114.1
2292	C	27.2	Very low	29.2	Very low	104.2 Å²	104.2	122.9 Å²	122.9	70%	0.704	73%	0.727	S	S	*	*				112.6	144.6	54.5	-85	0	0	0	0	114.4
2293	I	28.5	Very low	29.3	Very low	142.6 Å²	142.6	122.3 Å²	122.3	73%	0.731	73%	0.729	S	S	*	*				91.5	136.9	106.9	-81.5	170.3	0	0	0	114.6
2294	M	27.2	Very low	29.3	Very low	145.8 Å²	145.8	124 Å²	124	72%	0.718	74%	0.735	S	S	*	*			cis	152.8	147.8	14	-97.1	-160.1	-105.1	0	0	114.5
2295	T	27.4	Very low	29.2	Very low	102.8 Å²	102.8	125.2 Å²	125.2	63%	0.631	74%	0.738	S	S	*	*				59.6	146.3	118.5	51.1	0	0	0	0	118.7
2296	Q	28.8	Very low	29.1	Very low	172.6 Å²	172.6	124.4 Å²	124.4	81%	0.807	74%	0.736	S	S	*	*				158.6	166.8	54.8	-104.6	169	35.8	0	0	115.8
2297	S	26	Very low	29.1	Very low	87 Å²	87	125.1 Å²	125.1	61%	0.608	74%	0.735	S	S	*	*			trans	16.9	151.1	165.5	22	0	0	0	0	116.6	E2093	E2093-S2297 PolarHBondContact OE1-OG 3.38Å
2298	T	28.6	Very low	29	Very low	122.8 Å²	122.8	125.8 Å²	125.8	75%	0.753	73%	0.734	S	S	*	*				164.7	146.4	91.6	27.3	0	0	0	0	115.2
2299	T	27.6	Very low	29.1	Very low	125.4 Å²	125.4	126.8 Å²	126.8	77%	0.769	73%	0.733	S	S	*	*				-148.2	147.9	124.4	35	0	0	0	0	112.7
2300	V	28.4	Very low	28.8	Very low	128 Å²	128	127.5 Å²	127.5	78%	0.776	73%	0.731	S	S	*	*			trans	119.7	136.9	130	167.1	0	0	0	0	115
2301	T	29.4	Very low	28.8	Very low	136 Å²	136	127.7 Å²	127.7	83%	0.834	73%	0.727	S	S	*	*			trans	106.1	149	-174.3	45.7	0	0	0	0	116.9
2302	G	30.4	Very low	28.9	Very low	65.2 Å²	65.2	129.6 Å²	129.6	67%	0.672	73%	0.73	S	S	*	*				172.1	125	125.1	0	0	0	0	0	115.5
2303	T	29.5	Very low	29.1	Very low	132.6 Å²	132.6	131.3 Å²	131.3	81%	0.813	73%	0.727	S	S	*	*				35.5	132.7	127.3	61.1	0	0	0	0	116.1
2304	V	31	Very low	29.2	Very low	128.2 Å²	128.2	133.5 Å²	133.5	78%	0.777	73%	0.726	S	S	*	*				175.4	128.8	81.1	157.7	0	0	0	0	109.9
2305	N	28.6	Very low	29.2	Very low	136.4 Å²	136.4	134.4 Å²	134.4	73%	0.729	73%	0.726	S	S	*	*				102.7	142.7	106	-116	4.7	0	0	0	119.5
2306	M	29.2	Very low	29.4	Very low	148.2 Å²	148.2	137.5 Å²	137.5	73%	0.73	73%	0.733	S	S	*	*			trans	154.5	132	166.4	-91.2	-77.8	-140.6	0	0	112.9
2307	Q	28.1	Very low	29.4	Very low	154.8 Å²	154.8	136.3 Å²	136.3	72%	0.723	73%	0.732	S	S	*	*				64.8	139.8	121.8	-71.8	177.8	-26.6	0	0	115.3
2308	H	30.3	Very low	29.8	Very low	150.2 Å²	150.2	137 Å²	137	70%	0.695	74%	0.735	S	S	*	*				-178.9	142.7	59.9	-111.9	-85.6	0	0	0	113.2
2309	I	31.2	Very low	29.8	Very low	143.4 Å²	143.4	135.6 Å²	135.6	74%	0.735	74%	0.736	S	S	*	*			trans	63.6	129.9	131.9	-65.7	164.4	0	0	0	116.7
2310	N	28.5	Very low	30.2	Very low	126 Å²	126	134.1 Å²	134.1	67%	0.674	73%	0.728	S	S	*	*			cis	179.1	161.8	0.5	-161	10.1	0	0	0	110.6
2311	N	31.4	Very low	30.2	Very low	130.2 Å²	130.2	138 Å²	138	70%	0.696	73%	0.731	S	S	*	*			trans	64.9	123.7	168.2	-66.6	-38.5	0	0	0	114.4
2312	N	29.6	Very low	30	Very low	139.6 Å²	139.6	138 Å²	138	75%	0.747	73%	0.725	S	S	*	*				110	133.1	99.6	-79.7	-23.9	0	0	0	111.7
2313	E	31.6	Very low	29.9	Very low	139.4 Å²	139.4	141.4 Å²	141.4	65%	0.651	73%	0.727	S	S	*	*				-170	158.4	99.6	-97.6	-161.9	144.2	0	0	110.8
2314	R	29.6	Very low	29.8	Very low	188.2 Å²	188.2	143 Å²	143	71%	0.71	72%	0.722	S	S	*	*			trans	105.2	130.4	151	-90.5	177.4	-170.2	172.4	-1.7	114.3
2315	K	28.3	Very low	29.8	Very low	166.2 Å²	166.2	143.7 Å²	143.7	72%	0.723	72%	0.722	S	S	*	*				69.7	137.3	111.6	-66.3	175.8	178.4	-179	0	116.4
2316	H	32	Very low	29.8	Very low	166.8 Å²	166.8	141.8 Å²	141.8	77%	0.772	72%	0.719	S	S	*	*				152.6	137.7	120.1	-84.9	-70.2	0	0	0	113.8
2317	N	28	Very low	29.8	Very low	146.8 Å²	146.8	143.2 Å²	143.2	79%	0.785	72%	0.724	S	S	*	*			trans	-116.1	160.3	144.4	-118.5	2.4	0	0	0	109
2318	P	33.6	Very low	29.8	Very low	101.8 Å²	101.8	144.2 Å²	144.2	66%	0.661	73%	0.729	S	S	*	*				-128.1	164.1	72.9	33.6	-19	0	0	0	115.2	P2320	P2318-P2320 HydrophobicContact CB-CG 4.45Å
2319	A	29.6	Very low	29.7	Very low	93.4 Å²	93.4	146.1 Å²	146.1	77%	0.772	74%	0.735	S	S	*	*			trans	-52.4	166.3	152.7	0	0	0	0	0	114
2320	P	34.8	Very low	29.5	Very low	95.6 Å²	95.6	144.9 Å²	144.9	62%	0.621	74%	0.738	S	S	*	*			cis	-128.7	179.7	-22.6	33.9	-14.3	0	0	0	113.9	P2318	P2318-P2320 HydrophobicContact CB-CG 4.45Å
2321	Y	28.5	Very low	29.4	Very low	210 Å²	210	142.1 Å²	142.1	82%	0.824	74%	0.739	S	S	*	*			trans	141	137.6	140.1	-78.1	-55.4	0	0	0	117.7
2322	L	26.8	Very low	29.4	Very low	135 Å²	135	143.7 Å²	143.7	71%	0.707	75%	0.746	S	S	*	*				64.1	123.4	112.7	-97.4	157.4	0	0	0	118.5
2323	L	28.2	Very low	29.6	Very low	137.6 Å²	137.6	142.4 Å²	142.4	72%	0.72	75%	0.745	S	S	*	*				103.6	142	126	-116	64.9	0	0	0	114.7
2324	K	27.9	Very low	29.6	Very low	165.2 Å²	165.2	141.6 Å²	141.6	72%	0.718	75%	0.752	S	S	*	*			cis	158.1	138.1	26.5	-125.9	172.7	-169.3	176.6	0	113.5
2325	N	29	Very low	29.6	Very low	143.8 Å²	143.8	137.6 Å²	137.6	77%	0.769	75%	0.753	S	S	*	*			trans	106	151.4	145.9	-78.8	-7.7	0	0	0	113.9
2326	S	28.7	Very low	29.6	Very low	96.4 Å²	96.4	136.6 Å²	136.6	67%	0.674	76%	0.756	S	S	*	*			cis	-177.8	149.7	-3	56.2	0	0	0	0	111
2327	Q	29.8	Very low	29.5	Very low	177.8 Å²	177.8	136.1 Å²	136.1	83%	0.831	76%	0.757	S	S	*	*			trans	48.6	123.9	165.4	-60.8	-165.6	-1.2	0	0	115.2
2328	Q	29.1	Very low	29.5	Very low	175 Å²	175	134 Å²	134	82%	0.818	75%	0.75	S	S	*	*				158.3	121.9	54.4	-135.1	177.5	22.1	0	0	112.5
2329	K	27	Very low	29.3	Very low	190.2 Å²	190.2	138.8 Å²	138.8	83%	0.827	76%	0.756	S	S	*	*			trans	147.9	130.3	130.6	-156.4	176.7	179.8	-176.8	0	113.1
2330	C	26.9	Very low	29.2	Very low	118.6 Å²	118.6	142.7 Å²	142.7	80%	0.801	76%	0.755	S	S	*	*			trans	86.7	136.7	167.5	-68.8	0	0	0	0	114.2
2331	G	27.5	Very low	29	Very low	67.4 Å²	67.4	143.6 Å²	143.6	70%	0.695	76%	0.762	S	S	*	*			cis	171.2	159.1	-12.3	0	0	0	0	0	112.8
2332	I	31.2	Very low	28.9	Very low	162.6 Å²	162.6	139.4 Å²	139.4	83%	0.834	76%	0.761	S	S	*	*			trans	109.8	142	176.5	-41.2	172	0	0	0	112.7
2333	P	33.3	Very low	28.9	Very low	111.8 Å²	111.8	141.5 Å²	141.5	73%	0.726	77%	0.767	S	S	*	*			trans	-109.4	168.6	-132.6	40.2	-29.6	0	0	0	113.3
2334	P	31.5	Very low	29	Very low	122.6 Å²	122.6	141.9 Å²	141.9	80%	0.796	77%	0.768	S	S	*	*			trans	-111.2	157.2	142.5	36.7	-28.9	0	0	0	112.2
2335	S	30.3	Very low	29	Very low	105.8 Å²	105.8	140.2 Å²	140.2	74%	0.74	77%	0.767	S	S	*	*			trans	-120.2	138.7	148.2	51.8	0	0	0	0	111.7
2336	N	27.3	Very low	29	Very low	145 Å²	145	142.8 Å²	142.8	78%	0.775	77%	0.767	S	S	*	*			trans	15	130.2	149	-81.1	-14.9	0	0	0	113.9
2337	I	31	Very low	29	Very low	156.2 Å²	156.2	144.4 Å²	144.4	80%	0.801	77%	0.767	S	S	*	*				-143.9	123.3	122	-77.2	168.9	0	0	0	109.2
2338	T	26.9	Very low	29.1	Very low	103.2 Å²	103.2	143.6 Å²	143.6	63%	0.633	76%	0.763	S	S	*	*			trans	-70.8	113.5	160.4	-53.7	0	0	0	0	111.4	L2125 I2126 K2340	L2125-T2338 HydrophobicContact CB-CG2 4.36Å; L2125-T2338 HydrophobicContact CD2-CG2 4.27Å; I2126-T2338 WeakPolarHBondContact CA-O 3.44Å; I2126-T2338 PolarHBondContact N-O 2.89Å; T2338-K2340 PolarHBondContact O-N 2.85Å
2339	Y	29.3	Very low	29	Very low	201.8 Å²	201.8	143.8 Å²	143.8	79%	0.791	76%	0.761	S	S	*	*			trans	-122.2	128.3	146.5	-101.8	-83.2	0	0	0	114.4	L2125 I2126 L2127 S2128	L2125-Y2339 VanDerWaalsContact CB-N 3.32Å; L2125-Y2339 WeakPolarHBondContact CB-O 3.43Å; L2125-Y2339 WeakPolarHBondContact CD1-O 3.26Å; I2126-Y2339 VanDerWaalsContact CB-CA 3.48Å; I2126-Y2339 HydrophobicContact CB-CD1 2.74Å; I2126-Y2339 HydrophobicContact CB-CD2 3.57Å; I2126-Y2339 HydrophobicContact CB-CE1 3.18Å; I2126-Y2339 HydrophobicContact CB-CE2 3.92Å; I2126-Y2339 HydrophobicContact CB-CG 2.95Å; I2126-Y2339 HydrophobicContact CD1-CD1 2.29Å; I2126-Y2339 HydrophobicContact CD1-CD2 2.3Å; I2126-Y2339 HydrophobicContact CD1-CE1 2.3Å; I2126-Y2339 HydrophobicContact CD1-CE2 2.3Å; I2126-Y2339 HydrophobicContact CD1-CG 2.3Å; I2126-Y2339 WeakPolarHBondContact CD1-OH 3.16Å; I2126-Y2339 HydrophobicContact CG1-CD1 2.31Å; I2126-Y2339 HydrophobicContact CG1-CD2 2.31Å; I2126-Y2339 HydrophobicContact CG1-CE1 2.3Å; I2126-Y2339 HydrophobicContact CG1-CE2 2.31Å; I2126-Y2339 HydrophobicContact CG1-CG 2.31Å; I2126-Y2339 WeakPolarHBondContact CG1-OH 3.41Å; I2126-Y2339 HydrophobicContact CG2-CD1 3.23Å; I2126-Y2339 HydrophobicContact CG2-CE1 3.23Å; I2126-Y2339 HydrophobicContact CG2-CG 4.11Å; L2127-Y2339 HydrophobicContact CB-CE2 4.37Å; L2127-Y2339 PolarHBondContact O-OH 3.17Å; L2127-Y2339 VanDerWaalsContact O-OH 3.08Å; S2128-Y2339 PolarHBondContact OG-OH 3.27Å
2340	K	28.2	Very low	29	Very low	175.2 Å²	175.2	141.5 Å²	141.5	76%	0.762	76%	0.758	S	S	*	*			trans	-104.1	143.7	177.6	-92.6	-173.3	-179.2	-175.6	0	114.1	L2125 I2126 T2338	L2125-K2340 HydrophobicContact CB-CB 4.21Å; L2125-K2340 HydrophobicContact CB-CG 4.33Å; L2125-K2340 WeakPolarHBondContact O-CB 3.44Å; L2125-K2340 WeakPolarHBondContact O-CD 3.49Å; L2125-K2340 WeakPolarHBondContact O-CE 3.47Å; L2125-K2340 WeakPolarHBondContact O-CG 3.28Å; I2126-K2340 HydrophobicContact CB-CB 4.06Å; I2126-K2340 HydrophobicContact CG2-CB 3.62Å; T2338-K2340 PolarHBondContact O-N 2.85Å
2341	P	31.2	Very low	29.1	Very low	115.4 Å²	115.4	143.2 Å²	143.2	75%	0.749	75%	0.754	S	S	*	*			trans	-87.7	167.2	163.1	27.9	-20.6	0	0	0	111.1
2342	C	26.8	Very low	29	Very low	119.8 Å²	119.8	145.3 Å²	145.3	81%	0.809	75%	0.753	S	S	*	*			trans	-84.7	150.5	172	-63.9	0	0	0	0	113
2343	E	26.6	Very low	28.9	Very low	180.4 Å²	180.4	145.3 Å²	145.3	84%	0.843	75%	0.754	S	S	*	*			trans	-125.1	144.7	163.5	-89.4	174.8	159	0	0	113
2344	I	29	Very low	28.6	Very low	145 Å²	145	144.9 Å²	144.9	74%	0.744	75%	0.754	S	S	*	*			trans	-178.2	116.5	153.8	-64.7	167.1	0	0	0	112.4
2345	N	28.3	Very low	28.7	Very low	130.6 Å²	130.6	144.7 Å²	144.7	70%	0.698	75%	0.753	S	S	*	*			trans	-149.2	142.5	144.6	-113.2	-28.3	0	0	0	110.6
2346	R	29.7	Very low	28.6	Very low	199 Å²	199	148 Å²	148	75%	0.751	76%	0.756	S	S	*	*				158.6	134.9	126.9	-87.6	-175.1	176.2	102.7	-2.3	112.6
2347	D	29.1	Very low	28.6	Very low	129.2 Å²	129.2	147.6 Å²	147.6	69%	0.691	75%	0.753	S	S	*	*			trans	164.3	131.8	134.1	-97.3	-39.4	0	0	0	115.9	K2349	D2347-K2349 PolarHBondContact O-N 2.82Å
2348	H	30.5	Very low	28.5	Very low	160.4 Å²	160.4	147.6 Å²	147.6	74%	0.743	75%	0.75	S	S	*	*			trans	166.5	123.2	156	-71.6	-37	0	0	0	115.7	L2350	H2348-L2350 PolarHBondContact O-N 3.37Å
2349	K	27.6	Very low	28.6	Very low	178.6 Å²	178.6	149.6 Å²	149.6	78%	0.777	75%	0.752	S	S	*	*				-170.3	134.3	94.6	-142.9	172.3	-176.6	179.3	0	112.2	D2347 Q2351	D2347-K2349 PolarHBondContact O-N 2.82Å; K2349-Q2351 VanDerWaalsContact NZ-OE1 3.09Å; K2349-Q2351 PolarHBondContact O-N 3.48Å
2350	L	27.8	Very low	28.7	Very low	143.2 Å²	143.2	147 Å²	147	75%	0.75	75%	0.751	S	S	*	*			trans	49.4	132.3	166.6	-73.3	145.1	0	0	0	112.5	H2348	H2348-L2350 PolarHBondContact O-N 3.37Å
2351	Q	27.8	Very low	28.8	Very low	153.2 Å²	153.2	142.4 Å²	142.4	72%	0.716	74%	0.741	S	S	*	*			cis	172	146.4	48.4	-136.9	175.3	-19.8	0	0	111.1	K2349	K2349-Q2351 VanDerWaalsContact NZ-OE1 3.09Å; K2349-Q2351 PolarHBondContact O-N 3.48Å
2352	T	26.6	Very low	28.9	Very low	112.4 Å²	112.4	146 Å²	146	69%	0.69	75%	0.745	S	S	*	*			trans	103.3	142	144	31.5	0	0	0	0	115
2353	L	27.3	Very low	29	Very low	162 Å²	162	148.4 Å²	148.4	85%	0.848	74%	0.742	S	S	*	*				143.8	150.6	109.9	-84.7	160.4	0	0	0	112.6
2354	S	28.3	Very low	29.2	Very low	103.8 Å²	103.8	145.8 Å²	145.8	73%	0.726	73%	0.733	S	S	*	*			trans	-135.6	154.8	153.1	-84.9	0	0	0	0	110.7
2355	P	33.3	Very low	29.3	Very low	118 Å²	118	146.3 Å²	146.3	77%	0.766	73%	0.733	S	S	*	*			trans	-112.3	165.4	153	39.2	-31.8	0	0	0	112.8
2356	Q	28.5	Very low	29.5	Very low	175.2 Å²	175.2	146.5 Å²	146.5	82%	0.819	73%	0.732	S	S	*	*			trans	121.9	152.3	138.6	-92.9	-163.2	-6.2	0	0	112.1
2357	L	27.4	Very low	29.5	Very low	137 Å²	137	145 Å²	145	72%	0.717	73%	0.733	S	S	*	*			cis	-169.8	162.6	-42.4	-151.7	65.6	0	0	0	108.2
2358	E	28.2	Very low	29.4	Very low	157 Å²	157	143.4 Å²	143.4	73%	0.734	73%	0.732	S	S	*	*			trans	135.5	158.2	148.2	-100.7	176.4	-179.5	0	0	114.5
2359	H	29.7	Very low	29.2	Very low	145.2 Å²	145.2	141.9 Å²	141.9	67%	0.672	74%	0.735	S	S	*	*			cis	-171.6	147.4	31	-129	-101.6	0	0	0	114.5
2360	L	30.7	Very low	29.2	Very low	146.2 Å²	146.2	139.1 Å²	139.1	77%	0.765	73%	0.733	S	S	*	*				117.5	154.8	126.9	-97.3	125.2	0	0	0	116.3	S2084	S2084-L2360 CarbonylContact O-C 3.5Å
2361	S	30.4	Very low	29.2	Very low	79.2 Å²	79.2	139.9 Å²	139.9	55%	0.554	74%	0.736	S	S	*	*				-166.9	155.5	-59.8	-163.6	0	0	0	0	112.1	S2084	S2084-S2361 PolarHBondContact O-N 2.88Å
2362	K	32.3	Very low	29	Very low	189.8 Å²	189.8	137.3 Å²	137.3	83%	0.825	74%	0.735	S	S	*	*			trans	80	149.9	161.9	-62.5	159.5	-175.3	170.8	0	116.6
2363	K	30.2	Very low	29	Very low	171.2 Å²	171.2	137.7 Å²	137.7	74%	0.744	74%	0.737	S	S	*	*			cis	-163.9	147.8	1.3	-146.1	-170.6	177.6	-171.5	0	112.2
2364	N	30.8	Very low	28.9	Very low	126 Å²	126	135.9 Å²	135.9	67%	0.674	73%	0.733	S	S	*	*			trans	61.9	151.5	155.5	-60.8	-4.3	0	0	0	116.7
2365	Q	30.8	Very low	28.8	Very low	155.8 Å²	155.8	137.5 Å²	137.5	73%	0.728	73%	0.734	S	S	*	*			cis	177.8	136.3	6.8	-136.5	172.8	-30.7	0	0	110
2366	I	31.7	Very low	28.6	Very low	134.2 Å²	134.2	137.8 Å²	137.8	69%	0.688	73%	0.729	S	S	*	*				-178.5	136.4	90	-101.4	177.1	0	0	0	112.2
2367	H	30.3	Very low	28.7	Very low	166.6 Å²	166.6	135.9 Å²	135.9	77%	0.771	73%	0.725	S	S	*	*			trans	44.5	150	151.3	-65	-33	0	0	0	121.8
2368	S	26.9	Very low	28.8	Very low	96.6 Å²	96.6	135.7 Å²	135.7	68%	0.676	72%	0.724	S	S	*	*			cis	-178	141.7	4.7	-36.5	0	0	0	0	112.6
2369	T	27.4	Very low	29	Very low	128 Å²	128	134.8 Å²	134.8	79%	0.785	72%	0.724	S	S	*	*			trans	24.7	144.3	138.7	3	0	0	0	0	116.6
2370	T	26.3	Very low	28.9	Very low	121.2 Å²	121.2	134.2 Å²	134.2	74%	0.744	73%	0.726	S	S	*	*				27.5	130.6	126.3	-49.3	0	0	0	0	115.3
2371	I	27.9	Very low	28.9	Very low	158.4 Å²	158.4	134.9 Å²	134.9	81%	0.812	73%	0.729	S	S	*	*			trans	-177.7	153.1	139.6	-94.6	157.3	0	0	0	111.7
2372	S	23.7	Very low	28.9	Very low	98.8 Å²	98.8	138.5 Å²	138.5	69%	0.691	74%	0.743	S	S	*	*			trans	-104.2	167.3	-174.4	16.7	0	0	0	0	115.2
2373	T	25.9	Very low	28.7	Very low	121 Å²	121	133.9 Å²	133.9	74%	0.742	74%	0.74	S	S	*	*			trans	86.8	121.5	153.3	38.8	0	0	0	0	119.5
2374	T	25.5	Very low	28.8	Very low	124.2 Å²	124.2	131.9 Å²	131.9	76%	0.762	75%	0.745	S	S	*	*			trans	70.4	125.9	140.9	35.2	0	0	0	0	119.9
2375	N	27.4	Very low	28.6	Very low	138 Å²	138	133.3 Å²	133.3	74%	0.738	75%	0.752	S	S	*	*				121.5	134.9	123.3	-118.2	0.5	0	0	0	118.7
2376	N	28.1	Very low	28.7	Very low	124.4 Å²	124.4	131.7 Å²	131.7	67%	0.665	76%	0.755	S	S	*	*			trans	55	124.5	148.5	-72.5	-15.3	0	0	0	119
2377	N	31.4	Very low	28.6	Very low	135.8 Å²	135.8	130.4 Å²	130.4	73%	0.726	76%	0.758	S	S	*	*				129.4	119.4	115.5	-80	-22	0	0	0	118.3
2378	N	29.2	Very low	28.6	Very low	131.4 Å²	131.4	130.5 Å²	130.5	70%	0.703	76%	0.763	S	S	*	*			trans	6.1	125.1	144.5	-57.5	-18.2	0	0	0	116
2379	N	31.9	Very low	28.7	Very low	138.6 Å²	138.6	133.5 Å²	133.5	74%	0.741	77%	0.771	S	S	*	*				-177	143	91.1	-90.7	-41.3	0	0	0	114.2
2380	N	28.3	Very low	28.7	Very low	132.8 Å²	132.8	136.4 Å²	136.4	71%	0.71	77%	0.773	S	S	*	*			trans	36.7	127.9	151.9	-58.8	-28.2	0	0	0	118
2381	L	31.1	Very low	28.8	Very low	160.2 Å²	160.2	136.5 Å²	136.5	84%	0.839	78%	0.775	S	S	*	*				-170	130.6	94.7	-96.5	148.7	0	0	0	113.6
2382	N	29.3	Very low	28.9	Very low	155 Å²	155	135.4 Å²	135.4	83%	0.829	78%	0.776	S	S	*	*			trans	-70	133.5	167.2	-67.8	-28.7	0	0	0	116.9
2383	A	29.1	Very low	29.1	Very low	94.2 Å²	94.2	140.2 Å²	140.2	78%	0.779	78%	0.779	S	S	*	*			trans	-128.4	145.6	157.3	0	0	0	0	0	111.3
2384	P	32.1	Very low	29.3	Very low	128.6 Å²	128.6	139.8 Å²	139.8	84%	0.835	78%	0.778	S	S	*	*			trans	-96.8	151.6	176.8	34.4	-33.6	0	0	0	114.5
2385	N	27.4	Very low	29.3	Very low	155.2 Å²	155.2	139.2 Å²	139.2	83%	0.83	78%	0.779	S	S	*	*			trans	-88.3	159.4	177.6	-96.3	-31.6	0	0	0	112.2	S2387	N2385-S2387 PolarHBondContact O-N 3.36Å
2386	P	31.8	Very low	29.4	Very low	121.6 Å²	121.6	136.5 Å²	136.5	79%	0.79	77%	0.771	S	S	*	*			trans	-90.9	137.9	179.7	33.6	-29.9	0	0	0	112.5
2387	S	30.3	Very low	29.3	Very low	106.8 Å²	106.8	141.2 Å²	141.2	75%	0.747	78%	0.781	S	S	*	*			trans	-105.9	138.4	172.7	49.5	0	0	0	0	113.8	N2385 L2389	N2385-S2387 PolarHBondContact O-N 3.36Å; S2387-L2389 PolarHBondContact O-N 3.01Å
2388	L	29	Very low	29.1	Very low	170 Å²	170	144.6 Å²	144.6	89%	0.89	78%	0.784	S	S	*	*			trans	-26.3	113.3	164.1	-74.4	128.9	0	0	0	113.7	K2390	L2388-K2390 PolarHBondContact O-N 3.18Å; L2388-K2390 VanDerWaalsContact O-N 3.11Å
2389	L	29	Very low	29.1	Very low	159.2 Å²	159.2	143.4 Å²	143.4	83%	0.834	78%	0.784	S	S	*	*			trans	-90.8	125	145.9	-87.9	164.5	0	0	0	111.8	S2387	S2387-L2389 PolarHBondContact O-N 3.01Å
2390	K	28.2	Very low	29	Very low	189.4 Å²	189.4	142.6 Å²	142.6	82%	0.823	78%	0.783	S	S	*	*			trans	-80.2	137.1	172.1	-70.1	179.2	178.3	178	0	110.6	L2388 V2392	L2388-K2390 PolarHBondContact O-N 3.18Å; L2388-K2390 VanDerWaalsContact O-N 3.11Å; K2390-V2392 PolarHBondContact O-N 3.05Å
2391	P	28.7	Very low	29.2	Very low	122 Å²	122	141.7 Å²	141.7	79%	0.792	79%	0.785	S	S	*	*			trans	-76.3	118.7	173.7	30	-32.4	0	0	0	111.1	R2393	P2391-R2393 PolarHBondContact O-N 3.41Å
2392	V	29.8	Very low	29.1	Very low	136 Å²	136	140.3 Å²	140.3	82%	0.824	78%	0.778	S	S	*	*			trans	-94.9	133.2	168.8	177.7	0	0	0	0	108.6	K2390 P2394	K2390-V2392 PolarHBondContact O-N 3.05Å; V2392-P2394 WeakPolarHBondContact O-CD 3.45Å
2393	R	27	Very low	29.3	Very low	199.4 Å²	199.4	140.8 Å²	140.8	75%	0.752	78%	0.775	S	S	*	*			trans	-73.6	138.7	178.1	-77.4	-175.6	178.1	156.9	-1.9	111.2	C2103 P2391 S2395	C2103-R2393 PolarHBondContact O-NH2 3.33Å; P2391-R2393 PolarHBondContact O-N 3.41Å; R2393-S2395 VanDerWaalsContact C-N 3.34Å; R2393-S2395 PolarHBondContact O-N 3.08Å; R2393-S2395 VanDerWaalsContact O-N 3.1Å
2394	P	30.4	Very low	29.4	Very low	112.2 Å²	112.2	143.5 Å²	143.5	73%	0.729	78%	0.776	S	S	*	*			trans	-76.7	116.8	166.9	25	-23.2	0	0	0	110.3	V2392 S2396	V2392-P2394 WeakPolarHBondContact O-CD 3.45Å; P2394-S2396 PolarHBondContact O-N 3.07Å
2395	S	24.9	Very low	29.4	Very low	112.2 Å²	112.2	144.1 Å²	144.1	79%	0.785	77%	0.771	S	S	*	*			trans	-99.6	91.9	169.2	53.1	0	0	0	0	110	R2393	R2393-S2395 VanDerWaalsContact C-N 3.34Å; R2393-S2395 PolarHBondContact O-N 3.08Å; R2393-S2395 VanDerWaalsContact O-N 3.1Å
2396	S	29.5	Very low	29.5	Very low	82 Å²	82	144.2 Å²	144.2	57%	0.573	77%	0.771	S	S	*	*			trans	-130.6	94.6	177	54.6	0	0	0	0	110.6	P2394 W2398	P2394-S2396 PolarHBondContact O-N 3.07Å; S2396-W2398 PolarHBondContact O-N 3.07Å; S2396-W2398 VanDerWaalsContact O-N 3.1Å; S2396-W2398 VanDerWaalsContact OG-CZ2 3.25Å; S2396-W2398 WeakPolarHBondContact OG-CZ2 3.22Å; S2396-W2398 PolarHBondContact OG-NE1 3.13Å; S2396-W2398 VanDerWaalsContact OG-NE1 3.08Å
2397	Y	26.5	Very low	29.3	Very low	221.6 Å²	221.6	143.6 Å²	143.6	87%	0.869	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-72.9	130.4	160.8	-119.1	-104.4	0	0	0	108.7	N1967 P2399	N1967-Y2397 PolarHBondContact OD1-OH 3.24Å; Y2397-P2399 WeakPolarHBondContact O-CD 3.32Å
2398	W	28	Very low	29.3	Very low	208 Å²	208	144.1 Å²	144.1	79%	0.788	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-82.2	129.7	175.6	-76.6	89	0	0	0	110	E1763 I1768 S2396	E1763-W2398 PolarHBondContact OE2-NE1 3.39Å; I1768-W2398 HydrophobicContact CD1-CH2 4.43Å; I1768-W2398 HydrophobicContact CD1-CZ2 4.09Å; S2396-W2398 PolarHBondContact O-N 3.07Å; S2396-W2398 VanDerWaalsContact O-N 3.1Å; S2396-W2398 VanDerWaalsContact OG-CZ2 3.25Å; S2396-W2398 WeakPolarHBondContact OG-CZ2 3.22Å; S2396-W2398 PolarHBondContact OG-NE1 3.13Å; S2396-W2398 VanDerWaalsContact OG-NE1 3.08Å
2399	P	29.1	Very low	29.4	Very low	107.4 Å²	107.4	143 Å²	143	70%	0.697	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-73.8	149.7	175.6	31	-34	0	0	0	111.2	Y2397	Y2397-P2399 WeakPolarHBondContact O-CD 3.32Å
2400	V	29.6	Very low	29.5	Very low	121 Å²	121	143.3 Å²	143.3	73%	0.733	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-70.8	135.4	165.7	178.9	0	0	0	0	108.3	D2402	V2400-D2402 PolarHBondContact O-N 3.26Å
2401	P	32.4	Very low	29.5	Very low	113.8 Å²	113.8	141.7 Å²	141.7	74%	0.739	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-83.9	123.1	169.3	1.1	14.1	0	0	0	112.2	E2403	P2401-E2403 PolarHBondContact O-N 3.2Å
2402	D	28.8	Very low	29.5	Very low	131.2 Å²	131.2	143.9 Å²	143.9	70%	0.702	76%	0.764	S	S	*	*			trans	-50.8	106	144.1	-64.7	-38.1	0	0	0	112.1	V2400 L2404 L2933	V2400-D2402 PolarHBondContact O-N 3.26Å; D2402-L2404 VanDerWaalsContact C-N 3.29Å; D2402-L2404 HydrophobicContact CB-CG 4.39Å; D2402-L2404 PolarHBondContact O-N 3.13Å; D2402-L2933 HydrophobicContact CB-CD2 4.08Å; D2402-L2933 HydrophobicContact CB-CG 4.32Å; D2402-L2933 WeakPolarHBondContact OD2-CD2 3.46Å
2403	E	34.6	Very low	29.4	Very low	164.6 Å²	164.6	143 Å²	143	77%	0.769	76%	0.759	S	S	*	*			trans	-68.1	88.7	168.3	-75.6	-111.7	146	0	0	112.5	P2401 L2405	P2401-E2403 PolarHBondContact O-N 3.2Å; E2403-L2405 VanDerWaalsContact C-N 3.34Å; E2403-L2405 PolarHBondContact O-N 2.98Å
2404	L	30.5	Very low	29.5	Very low	152.2 Å²	152.2	140 Å²	140	80%	0.797	76%	0.758	S	S	*	*			trans	-90.4	112.3	157.3	-81	174.6	0	0	0	111.9	D2402 L2406	D2402-L2404 VanDerWaalsContact C-N 3.29Å; D2402-L2404 HydrophobicContact CB-CG 4.39Å; D2402-L2404 PolarHBondContact O-N 3.13Å; L2404-L2406 PolarHBondContact O-N 3.35Å; L2404-L2406 VanDerWaalsContact O-N 3.07Å
2405	L	30.8	Very low	29.4	Very low	139.8 Å²	139.8	142.4 Å²	142.4	73%	0.732	76%	0.759	S	S	*	*			trans	-80	108.5	157.1	-73	170.9	0	0	0	114.1	E2403	E2403-L2405 VanDerWaalsContact C-N 3.34Å; E2403-L2405 PolarHBondContact O-N 2.98Å
2406	L	30.3	Very low	29.7	Very low	157.8 Å²	157.8	145.6 Å²	145.6	83%	0.826	76%	0.761	S	S	*	*			trans	-67.4	127.4	158	-79.4	93.2	0	0	0	111.5	L2404	L2404-L2406 PolarHBondContact O-N 3.35Å; L2404-L2406 VanDerWaalsContact O-N 3.07Å
2407	S	28.5	Very low	29.6	Very low	110 Å²	110	148.3 Å²	148.3	77%	0.769	77%	0.769	S	S	*	*			trans	-112.8	131.8	162.8	-70.5	0	0	0	0	112.1	D2409	S2407-D2409 PolarHBondContact O-N 3.16Å
2408	S	30.5	Very low	29.8	Very low	115.8 Å²	115.8	144.5 Å²	144.5	81%	0.81	76%	0.763	S	S	*	*			trans	-127	119.9	162.1	-64.6	0	0	0	0	111.4	Q2410	S2408-Q2410 PolarHBondContact O-N 2.92Å
2409	D	30.8	Very low	29.9	Very low	146.6 Å²	146.6	141.1 Å²	141.1	78%	0.784	76%	0.76	S	S	*	*				-124.2	131.5	111.5	-93.8	-42.4	0	0	0	114.4	S2407	S2407-D2409 PolarHBondContact O-N 3.16Å
2410	Q	29.6	Very low	29.8	Very low	165.8 Å²	165.8	143 Å²	143	78%	0.775	76%	0.764	S	S	*	*			trans	-74	127.3	145.9	-69	175.9	40.3	0	0	115.2	S2408 Q2412	S2408-Q2410 PolarHBondContact O-N 2.92Å; Q2410-Q2412 PolarHBondContact O-N 3.17Å
2411	I	29.2	Very low	29.7	Very low	157.2 Å²	157.2	142.4 Å²	142.4	81%	0.806	77%	0.765	S	S	*	*				160.8	115.5	122.3	-79.6	160.1	0	0	0	112.9
2412	Q	28.2	Very low	29.5	Very low	167.6 Å²	167.6	142.1 Å²	142.1	78%	0.783	77%	0.765	S	S	*	*			trans	22.7	125.2	134.9	-81.5	178	-13.2	0	0	117.4	Q2410	Q2410-Q2412 PolarHBondContact O-N 3.17Å
2413	T	28.5	Very low	29.5	Very low	117.6 Å²	117.6	143.2 Å²	143.2	72%	0.721	77%	0.771	S	S	*	*			trans	85.2	141.4	133.9	48.9	0	0	0	0	116.1
2414	N	28.2	Very low	29.3	Very low	134.8 Å²	134.8	142.6 Å²	142.6	72%	0.721	77%	0.773	S	S	*	*				162.6	130.3	124.9	-99.8	-22	0	0	0	116.4
2415	H	28.3	Very low	29.2	Very low	164.4 Å²	164.4	144.9 Å²	144.9	76%	0.761	78%	0.777	S	S	*	*			trans	16.8	134.6	151.4	-66	-71.1	0	0	0	118.8
2416	Q	31.6	Very low	29.2	Very low	177.6 Å²	177.6	147.5 Å²	147.5	83%	0.83	79%	0.785	S	S	*	*			trans	161.7	121.6	130.6	-83.3	179	14.9	0	0	115.4	I2418	Q2416-I2418 HydrophobicContact CB-CD1 4.39Å; Q2416-I2418 HydrophobicContact CB-CG1 4.32Å; Q2416-I2418 HydrophobicContact CG-CD1 4.42Å; Q2416-I2418 PolarHBondContact O-N 3.17Å
2417	N	27	Very low	29.2	Very low	139 Å²	139	149.6 Å²	149.6	74%	0.743	79%	0.787	S	S	*	*			trans	-25.7	122.6	132.3	-126.2	-6.7	0	0	0	114.1
2418	I	30.9	Very low	29.2	Very low	142.6 Å²	142.6	149.4 Å²	149.4	73%	0.731	79%	0.786	S	S	*	*			trans	-180	110.9	133.8	-73.1	162.6	0	0	0	112.7	Q2416 N2420	Q2416-I2418 HydrophobicContact CB-CD1 4.39Å; Q2416-I2418 HydrophobicContact CB-CG1 4.32Å; Q2416-I2418 HydrophobicContact CG-CD1 4.42Å; Q2416-I2418 PolarHBondContact O-N 3.17Å; I2418-N2420 HydrophobicContact CG2-CB 4.36Å; I2418-N2420 PolarHBondContact O-N 2.88Å
2419	N	29.3	Very low	29.1	Very low	136.6 Å²	136.6	150.7 Å²	150.7	73%	0.73	78%	0.784	S	S	*	*			trans	-92.7	126.2	156.8	-75.2	-26.7	0	0	0	114.2
2420	N	28.6	Very low	29.1	Very low	146.8 Å²	146.8	153.5 Å²	153.5	79%	0.785	78%	0.783	S	S	*	*			trans	110.5	123.6	140.1	-79.4	-20.8	0	0	0	117.6	I2418	I2418-N2420 HydrophobicContact CG2-CB 4.36Å; I2418-N2420 PolarHBondContact O-N 2.88Å
2421	S	27.8	Very low	29.1	Very low	108 Å²	108	150.9 Å²	150.9	76%	0.755	78%	0.781	S	S	*	*			trans	78.7	98.6	140.8	-173.8	0	0	0	0	117.4
2422	C	27.4	Very low	29.1	Very low	108.6 Å²	108.6	150.9 Å²	150.9	73%	0.734	78%	0.781	S	S	*	*				110.2	109.6	118	-85.6	0	0	0	0	115.6	N2424	C2422-N2424 PolarHBondContact O-N 2.82Å
2423	N	28.1	Very low	29.1	Very low	154 Å²	154	148.6 Å²	148.6	82%	0.824	78%	0.783	S	S	*	*			trans	-118.1	123.4	137.4	-95.2	-22.5	0	0	0	111.9
2424	N	31.1	Very low	29.1	Very low	150.8 Å²	150.8	147.5 Å²	147.5	81%	0.806	79%	0.786	S	S	*	*			trans	-155.5	132.4	155	-87.3	-24.5	0	0	0	113.1	C2422	C2422-N2424 PolarHBondContact O-N 2.82Å
2425	K	29.4	Very low	29	Very low	202.4 Å²	202.4	144.2 Å²	144.2	88%	0.88	79%	0.785	S	S	*	*			trans	-112.1	114.2	163	-74	168.7	-178.4	174.6	0	111.7
2426	E	29.9	Very low	29	Very low	193.6 Å²	193.6	144 Å²	144	91%	0.905	79%	0.787	S	S	*	*			trans	-102.5	141.2	152.1	-80.7	172.3	136.8	0	0	111.1
2427	K	29.7	Very low	28.9	Very low	202.6 Å²	202.6	140.7 Å²	140.7	88%	0.881	78%	0.78	S	S	*	*			trans	-127.2	131.4	166.3	-86.2	-176.8	179.5	-178	0	109.2	N2429	K2427-N2429 PolarHBondContact O-N 3.39Å
2428	S	29.3	Very low	29	Very low	105.8 Å²	105.8	142.5 Å²	142.5	74%	0.74	78%	0.78	S	S	*	*			trans	-74.7	121	171	66.7	0	0	0	0	112.5	R2430	S2428-R2430 PolarHBondContact O-N 3.44Å
2429	N	28.7	Very low	29	Very low	141.8 Å²	141.8	141.3 Å²	141.3	76%	0.758	78%	0.776	S	S	*	*			trans	-86.7	128.7	144.3	-88.4	-8.1	0	0	0	108.9	K2427 T2942 E2943	K2427-N2429 PolarHBondContact O-N 3.39Å; N2429-T2942 CarbonylContact C-O 3.55Å; N2429-T2942 WeakPolarHBondContact CB-O 3.38Å; N2429-T2942 PolarHBondContact ND2-O 3.09Å; N2429-T2942 PolarHBondContact OD1-O 3.06Å; N2429-E2943 CarbonylContact C-O 3.46Å; N2429-E2943 VanDerWaalsContact CB-OE2 3.31Å; N2429-E2943 WeakPolarHBondContact CB-OE2 3.45Å; N2429-E2943 VanDerWaalsContact ND2-CD 3.3Å; N2429-E2943 PolarHBondContact ND2-OE1 3.18Å; N2429-E2943 VanDerWaalsContact ND2-OE1 3.14Å; N2429-E2943 PolarHBondContact ND2-OE2 2.75Å
2430	R	29.8	Very low	29.2	Very low	205.6 Å²	205.6	143.3 Å²	143.3	78%	0.776	78%	0.778	S	S	*	*			trans	-116.6	130.9	160.9	-69.3	-159	173.2	-162.4	-2.7	110.2	S2428 I2432 S2940 M2941 T2942 E2943	S2428-R2430 PolarHBondContact O-N 3.44Å; R2430-I2432 PolarHBondContact O-N 3.43Å; R2430-I2432 VanDerWaalsContact O-N 3.16Å; R2430-S2940 VanDerWaalsContact CZ-O 3.27Å; R2430-S2940 PolarHBondContact NH1-O 2.9Å; R2430-S2940 PolarHBondContact NH2-O 3.06Å; R2430-M2941 PolarHBondContact NH1-O 3.22Å; R2430-M2941 CarbonylContact O-C 3.6Å; R2430-T2942 PolarHBondContact N-O 3.06Å; R2430-T2942 CarbonylContact O-C 3.45Å; R2430-T2942 WeakPolarHBondContact O-CA 3.22Å; R2430-E2943 WeakPolarHBondContact CA-O 3.41Å
2431	P	31	Very low	29.3	Very low	112.4 Å²	112.4	142.5 Å²	142.5	73%	0.73	77%	0.774	S	S	*	*			trans	-76.8	160	172.5	27.4	-26.2	0	0	0	111.3	S2433 E2943 D2944	P2431-S2433 PolarHBondContact O-N 2.93Å; P2431-E2943 WeakPolarHBondContact CD-O 3.4Å; P2431-D2944 HydrophobicContact CG-CB 4.45Å; P2431-D2944 WeakPolarHBondContact CG-OD1 3.47Å
2432	I	28.1	Very low	29.5	Very low	155.6 Å²	155.6	140 Å²	140	80%	0.798	77%	0.765	S	S	*	*			trans	-96	112.6	-176.8	-62.1	169.4	0	0	0	110.7	R2430 A2434	R2430-I2432 PolarHBondContact O-N 3.43Å; R2430-I2432 VanDerWaalsContact O-N 3.16Å; I2432-A2434 HydrophobicContact CG2-CB 3.93Å
2433	S	28.8	Very low	29.7	Very low	119.8 Å²	119.8	141 Å²	141	84%	0.838	76%	0.762	S	S	*	*			trans	-100.2	115.8	157.5	-173.6	0	0	0	0	112.1	P2431	P2431-S2433 PolarHBondContact O-N 2.93Å
2434	A	27.9	Very low	30	Very low	94 Å²	94	139.7 Å²	139.7	78%	0.777	75%	0.754	S	S	*	*			trans	-95.6	130.6	174.5	0	0	0	0	0	112.5	I2432	I2432-A2434 HydrophobicContact CG2-CB 3.93Å
2435	G	26	Very low	30.1	Very low	67.2 Å²	67.2	138.4 Å²	138.4	69%	0.693	75%	0.746	S	S	*	*			trans	124.9	89.5	169.7	0	0	0	0	0	114.5
2436	I	28	Very low	30.1	Very low	159.4 Å²	159.4	133.7 Å²	133.7	82%	0.817	73%	0.731	S	S	*	*			trans	-178	107	140.4	-54.5	167.2	0	0	0	107.4	K2438	I2436-K2438 HydrophobicContact CG2-CG 4.44Å; I2436-K2438 PolarHBondContact O-N 3.08Å
2437	T	29.7	Very low	30.4	Very low	109 Å²	109	131 Å²	131	67%	0.669	72%	0.72	S	S	*	*				-114.4	141.9	80.1	17.5	0	0	0	0	111	N2439	T2437-N2439 PolarHBondContact O-N 3.47Å
2438	K	30.2	Very low	30.5	Very low	175 Å²	175	126.7 Å²	126.7	76%	0.761	71%	0.707	S	S	*	*			trans	-93.6	131.1	160.8	-73.1	178.4	177.8	177.4	0	110.6	I2436 F2440	I2436-K2438 HydrophobicContact CG2-CG 4.44Å; I2436-K2438 PolarHBondContact O-N 3.08Å; K2438-F2440 PolarHBondContact O-N 3Å
2439	N	31.1	Very low	30.7	Very low	118.4 Å²	118.4	127.4 Å²	127.4	63%	0.633	70%	0.702	S	S	*	*			trans	-44.5	98	167.7	-66.1	0.7	0	0	0	112.2	T2437 D2441	T2437-N2439 PolarHBondContact O-N 3.47Å; N2439-D2441 PolarHBondContact N-OD2 3.44Å; N2439-D2441 PolarHBondContact ND2-OD2 2.98Å; N2439-D2441 PolarHBondContact O-N 2.97Å
2440	F	32.1	Very low	30.8	Very low	178 Å²	178	129.2 Å²	129.2	78%	0.781	70%	0.703	S	S	*	*			trans	-104.6	59.1	154	-87.5	-82.1	0	0	0	110	K2438 G2442 I2443	K2438-F2440 PolarHBondContact O-N 3Å; F2440-G2442 VanDerWaalsContact C-N 3.33Å; F2440-G2442 PolarHBondContact O-N 2.87Å; F2440-I2443 HydrophobicContact CD1-CB 4.31Å; F2440-I2443 HydrophobicContact CD1-CD1 3.82Å; F2440-I2443 HydrophobicContact CE1-CD1 4.08Å; F2440-I2443 PolarHBondContact O-N 2.88Å; F2440-I2443 VanDerWaalsContact O-N 3.13Å
2441	D	30.9	Very low	30.8	Very low	131 Å²	131	125 Å²	125	70%	0.701	70%	0.703	S	S	*	*			trans	-62.4	118.3	175.1	-73.6	-62.3	0	0	0	110.9	H1944 N2439 I2443	H1944-D2441 IonicContact CE1-OD1 2.69Å; H1944-D2441 PolarHBondContact CE1-OD1 2.88Å; N2439-D2441 PolarHBondContact N-OD2 3.44Å; N2439-D2441 PolarHBondContact ND2-OD2 2.98Å; N2439-D2441 PolarHBondContact O-N 2.97Å; D2441-I2443 PolarHBondContact O-N 2.57Å
2442	G	31.6	Very low	30.9	Very low	54.6 Å²	54.6	126.5 Å²	126.5	56%	0.563	70%	0.704	S	S	*	*			trans	-102.7	96.8	-170.8	0	0	0	0	0	115.1	F2440 I2444 L2445 N2446	F2440-G2442 VanDerWaalsContact C-N 3.33Å; F2440-G2442 PolarHBondContact O-N 2.87Å; G2442-I2444 PolarHBondContact O-N 3.13Å; G2442-L2445 PolarHBondContact O-N 3.25Å; G2442-N2446 WeakPolarHBondContact O-CB 3.35Å; G2442-N2446 PolarHBondContact O-N 3.44Å
2443	I	32.9	Very low	31	Very low	129.6 Å²	129.6	125.1 Å²	125.1	67%	0.665	71%	0.705	S	S	*	*			trans	-76.2	45.8	168.3	-61	179.4	0	0	0	109.3	F2440 D2441 L2445 N2446 I2447	F2440-I2443 HydrophobicContact CD1-CB 4.31Å; F2440-I2443 HydrophobicContact CD1-CD1 3.82Å; F2440-I2443 HydrophobicContact CE1-CD1 4.08Å; F2440-I2443 PolarHBondContact O-N 2.88Å; F2440-I2443 VanDerWaalsContact O-N 3.13Å; D2441-I2443 PolarHBondContact O-N 2.57Å; I2443-L2445 VanDerWaalsContact C-N 3.3Å; I2443-L2445 PolarHBondContact O-N 2.97Å; I2443-N2446 PolarHBondContact O-N 2.94Å; I2443-I2447 HydrophobicContact CG2-CD1 3.6Å; I2443-I2447 HydrophobicContact CG2-CG1 4.06Å; I2443-I2447 WeakPolarHBondContact O-CG1 3.43Å; I2443-I2447 PolarHBondContact O-N 3.35Å
2444	I	33.6	Very low	31	Very low	128 Å²	128	127.1 Å²	127.1	66%	0.656	70%	0.701	S	S	*	*			trans	-72	61.9	177.5	-61.2	176.9	0	0	0	109.7	L1680 G2442 N2446	L1680-I2444 HydrophobicContact CD1-CG1 4.07Å; L1680-I2444 HydrophobicContact CD1-CG2 4.38Å; G2442-I2444 PolarHBondContact O-N 3.13Å; I2444-N2446 VanDerWaalsContact C-N 3.34Å; I2444-N2446 HydrophobicContact CG2-CB 4.03Å; I2444-N2446 PolarHBondContact O-N 3.26Å
2445	L	33.2	Very low	30.9	Very low	123.6 Å²	123.6	130.9 Å²	130.9	65%	0.647	70%	0.702	S	S	*	*			trans	-86.8	50.2	169.8	-80.3	169.6	0	0	0	110.8	S1942 G2442 I2443 I2447 L2448 N2449	S1942-L2445 WeakPolarHBondContact O-CD1 3.21Å; G2442-L2445 PolarHBondContact O-N 3.25Å; I2443-L2445 VanDerWaalsContact C-N 3.3Å; I2443-L2445 PolarHBondContact O-N 2.97Å; L2445-I2447 VanDerWaalsContact C-N 3.29Å; L2445-I2447 PolarHBondContact O-N 3.03Å; L2445-L2448 PolarHBondContact O-N 2.93Å; L2445-N2449 WeakPolarHBondContact O-CB 3.3Å; L2445-N2449 PolarHBondContact O-N 3.3Å; L2445-N2449 VanDerWaalsContact O-N 3.12Å
2446	N	30.3	Very low	31	Very low	103.6 Å²	103.6	133 Å²	133	55%	0.554	71%	0.707	S	S	*	*			trans	-82.9	46.2	-174.3	-165.4	14.6	0	0	0	112.2	G2442 I2443 I2444 L2448 K2450	G2442-N2446 WeakPolarHBondContact O-CB 3.35Å; G2442-N2446 PolarHBondContact O-N 3.44Å; I2443-N2446 PolarHBondContact O-N 2.94Å; I2444-N2446 VanDerWaalsContact C-N 3.34Å; I2444-N2446 HydrophobicContact CG2-CB 4.03Å; I2444-N2446 PolarHBondContact O-N 3.26Å; N2446-L2448 VanDerWaalsContact C-N 3.28Å; N2446-L2448 PolarHBondContact O-N 3.03Å; N2446-L2448 VanDerWaalsContact O-N 3.09Å; N2446-L2448 WeakPolarHBondContact OD1-CG 3.12Å; N2446-K2450 WeakPolarHBondContact O-CD 3.3Å; N2446-K2450 WeakPolarHBondContact O-CG 3.43Å; N2446-K2450 WeakPolarHBondContact OD1-CE 3.49Å
2447	I	35.6	Very low	30.9	Very low	135 Å²	135	133.3 Å²	133.3	69%	0.692	71%	0.709	S	S	*	*			trans	-85.4	39.8	168.8	-61.8	-179.9	0	0	0	109.7	I2443 L2445	I2443-I2447 HydrophobicContact CG2-CD1 3.6Å; I2443-I2447 HydrophobicContact CG2-CG1 4.06Å; I2443-I2447 WeakPolarHBondContact O-CG1 3.43Å; I2443-I2447 PolarHBondContact O-N 3.35Å; L2445-I2447 VanDerWaalsContact C-N 3.29Å; L2445-I2447 PolarHBondContact O-N 3.03Å
2448	L	32.5	Very low	30.7	Very low	113 Å²	113	133.4 Å²	133.4	59%	0.592	71%	0.714	S	S	*	*			trans	-83.4	138.3	174.7	-79.3	141.4	0	0	0	112.4	L2445 N2446 K2450	L2445-L2448 PolarHBondContact O-N 2.93Å; N2446-L2448 VanDerWaalsContact C-N 3.28Å; N2446-L2448 PolarHBondContact O-N 3.03Å; N2446-L2448 VanDerWaalsContact O-N 3.09Å; N2446-L2448 WeakPolarHBondContact OD1-CG 3.12Å; L2448-K2450 PolarHBondContact O-N 3.38Å
2449	N	32.4	Very low	30.5	Very low	120.8 Å²	120.8	130.4 Å²	130.4	65%	0.646	72%	0.716	S	S	*	*			trans	19.2	62.9	166.6	-62.3	-18.8	0	0	0	117.2	L2445 P2451	L2445-N2449 WeakPolarHBondContact O-CB 3.3Å; L2445-N2449 PolarHBondContact O-N 3.3Å; L2445-N2449 VanDerWaalsContact O-N 3.12Å; N2449-P2451 WeakPolarHBondContact O-CD 3.29Å
2450	K	30.9	Very low	30.2	Very low	178.8 Å²	178.8	130.5 Å²	130.5	78%	0.777	73%	0.725	S	S	*	*			trans	-122.3	113	145.9	-83.8	-176.3	-179.4	177.6	0	110.8	N2446 L2448	N2446-K2450 WeakPolarHBondContact O-CD 3.3Å; N2446-K2450 WeakPolarHBondContact O-CG 3.43Å; N2446-K2450 WeakPolarHBondContact OD1-CE 3.49Å; L2448-K2450 PolarHBondContact O-N 3.38Å
2451	P	30.8	Very low	30	Very low	118.2 Å²	118.2	127.6 Å²	127.6	77%	0.768	73%	0.727	S	S	*	*			trans	-72.3	149.2	174.2	31.1	-34.6	0	0	0	111.1	N2449	N2449-P2451 WeakPolarHBondContact O-CD 3.29Å
2452	L	31.7	Very low	29.8	Very low	144.8 Å²	144.8	126.4 Å²	126.4	76%	0.758	73%	0.729	S	S	*	*			trans	-58.2	140	171.2	-87.9	69.7	0	0	0	111.3	E2454	L2452-E2454 HydrophobicContact CB-CG 4.32Å; L2452-E2454 HydrophobicContact CD2-CG 3.8Å; L2452-E2454 PolarHBondContact O-N 3.06Å; L2452-E2454 VanDerWaalsContact O-N 3.07Å
2453	P	30.9	Very low	29.7	Very low	125 Å²	125	133.1 Å²	133.1	81%	0.812	74%	0.743	S	S	*	*			trans	-77.4	115.8	157.3	3.9	4.7	0	0	0	110.5	Q2455	P2453-Q2455 PolarHBondContact O-N 3.2Å
2454	E	27.9	Very low	29.4	Very low	162.2 Å²	162.2	133.8 Å²	133.8	76%	0.758	75%	0.748	S	S	*	*			trans	-73.1	151.8	168.5	-66.5	-171.1	156.4	0	0	111.5	L2452 S2456	L2452-E2454 HydrophobicContact CB-CG 4.32Å; L2452-E2454 HydrophobicContact CD2-CG 3.8Å; L2452-E2454 PolarHBondContact O-N 3.06Å; L2452-E2454 VanDerWaalsContact O-N 3.07Å; E2454-S2456 PolarHBondContact O-N 3.4Å
2455	Q	27.4	Very low	29.2	Very low	172.8 Å²	172.8	135.7 Å²	135.7	81%	0.807	76%	0.757	S	S	*	*			trans	71.4	96.6	167.8	-62.1	179.8	31.4	0	0	114.9	P2453 L2457	P2453-Q2455 PolarHBondContact O-N 3.2Å; Q2455-L2457 PolarHBondContact O-N 2.89Å
2456	S	26.4	Very low	28.9	Very low	111.8 Å²	111.8	133 Å²	133	78%	0.782	76%	0.759	S	S	*	*			trans	-133.9	84.6	136.8	52.4	0	0	0	0	115.3	E2454 S2458	E2454-S2456 PolarHBondContact O-N 3.4Å; S2456-S2458 PolarHBondContact O-N 3.31Å; S2456-S2458 VanDerWaalsContact O-N 3.09Å
2457	L	26.7	Very low	28.8	Very low	166.6 Å²	166.6	133 Å²	133	87%	0.872	77%	0.767	S	S	*	*			trans	-98.5	92.5	154.1	-85.9	166.8	0	0	0	113.2	Q2455 S2459	Q2455-L2457 PolarHBondContact O-N 2.89Å; L2457-S2459 PolarHBondContact O-N 2.94Å
2458	S	25.4	Very low	28.6	Very low	110.4 Å²	110.4	134.3 Å²	134.3	77%	0.772	78%	0.776	S	S	*	*			trans	-107.4	96.5	157.4	22.4	0	0	0	0	114.8	S2456	S2456-S2458 PolarHBondContact O-N 3.31Å; S2456-S2458 VanDerWaalsContact O-N 3.09Å
2459	S	26.7	Very low	28.4	Very low	113.2 Å²	113.2	132.4 Å²	132.4	79%	0.792	78%	0.783	S	S	*	*			trans	-134.5	110.2	157.7	6.1	0	0	0	0	111.3	L2457 S2461	L2457-S2459 PolarHBondContact O-N 2.94Å; S2459-S2461 PolarHBondContact O-N 2.89Å
2460	S	25	Very low	28.2	Very low	118.8 Å²	118.8	135.4 Å²	135.4	83%	0.831	79%	0.793	S	S	*	*				-60.4	110.9	121.2	16.2	0	0	0	0	113.9
2461	S	26.8	Very low	28.1	Very low	117 Å²	117	134.3 Å²	134.3	82%	0.818	79%	0.791	S	S	*	*			trans	-150.7	119.9	152.9	172.2	0	0	0	0	112.9	S2459	S2459-S2461 PolarHBondContact O-N 2.89Å
2462	S	26.7	Very low	28	Very low	106.6 Å²	106.6	136.5 Å²	136.5	75%	0.745	79%	0.791	S	S	*	*			trans	-108.1	138.1	170.1	51.5	0	0	0	0	112.6
2463	K	29.9	Very low	27.8	Very low	195.2 Å²	195.2	136.8 Å²	136.8	85%	0.849	79%	0.788	S	S	*	*			trans	-170.3	115.2	140.4	-105.1	177	-179.6	178.3	0	114.1
2464	N	27.5	Very low	27.8	Very low	144.6 Å²	144.6	139 Å²	139	77%	0.773	79%	0.787	S	S	*	*			trans	-57.8	120.5	157.2	-71	-7.2	0	0	0	115.1
2465	I	28.9	Very low	27.8	Very low	168 Å²	168	141.7 Å²	141.7	86%	0.862	79%	0.79	S	S	*	*				111.8	124.5	126.5	-63.6	162.6	0	0	0	111.4
2466	G	27.6	Very low	28	Very low	65.6 Å²	65.6	138.7 Å²	138.7	68%	0.676	79%	0.786	S	S	*	*			trans	-158.3	139.4	164.6	0	0	0	0	0	111.9
2467	S	27.9	Very low	28.2	Very low	104.6 Å²	104.6	140.4 Å²	140.4	73%	0.731	78%	0.784	S	S	*	*			trans	24.7	127.8	165.5	69.1	0	0	0	0	118.4
2468	D	29.9	Very low	28.4	Very low	162.6 Å²	162.6	137.2 Å²	137.2	87%	0.87	78%	0.776	S	S	*	*				147.2	142.2	99.6	-73.5	-39.1	0	0	0	114.7
2469	G	28.2	Very low	28.7	Very low	72.6 Å²	72.6	138 Å²	138	75%	0.748	77%	0.771	S	S	*	*			trans	139.2	65	165.8	0	0	0	0	0	117.2	H2471	G2469-H2471 PolarHBondContact O-N 3.23Å
2470	Q	28.4	Very low	28.9	Very low	183 Å²	183	137.3 Å²	137.3	86%	0.855	77%	0.766	S	S	*	*			trans	-43.6	114.8	163.5	-67.4	-160.2	-14.4	0	0	115.5	Q2472	Q2470-Q2472 PolarHBondContact O-N 3.02Å
2471	H	28.5	Very low	29.4	Very low	156 Å²	156	135.5 Å²	135.5	72%	0.722	75%	0.754	S	S	*	*			trans	25.9	109.8	146.4	-70.8	-74.5	0	0	0	117	G2469 H2473	G2469-H2471 PolarHBondContact O-N 3.23Å; H2471-H2473 PolarHBondContact O-CD2 3.28Å; H2471-H2473 PolarHBondContact O-N 3.26Å
2472	Q	29.7	Very low	29.9	Very low	164.2 Å²	164.2	135 Å²	135	77%	0.767	75%	0.746	S	S	*	*			trans	-89.4	127.4	143.8	-73.2	-133.9	0.6	0	0	112.3	Q2470 H2474	Q2470-Q2472 PolarHBondContact O-N 3.02Å; Q2472-H2474 PolarHBondContact O-N 3.18Å
2473	H	27.3	Very low	30.4	Very low	152.4 Å²	152.4	135.1 Å²	135.1	71%	0.706	74%	0.738	S	S	*	*			trans	-80.8	116.2	174.8	-85	-87.3	0	0	0	110.6	H2471 R2475	H2471-H2473 PolarHBondContact O-CD2 3.28Å; H2471-H2473 PolarHBondContact O-N 3.26Å; H2473-R2475 PolarHBondContact O-N 2.97Å
2474	H	30.5	Very low	30.8	Very low	171.6 Å²	171.6	129.5 Å²	129.5	79%	0.794	72%	0.723	S	S	*	*			trans	-95.9	129.3	156.8	-84	-76.2	0	0	0	110	Q2472 P2476	Q2472-H2474 PolarHBondContact O-N 3.18Å; H2474-P2476 WeakPolarHBondContact O-CD 3.33Å
2475	R	27.4	Very low	31.3	Very low	218.8 Å²	218.8	129.3 Å²	129.3	83%	0.826	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-78.5	137.3	174.4	-146.6	-176.8	-174.6	-171.3	1.3	108.7	H2473 I2477	H2473-R2475 PolarHBondContact O-N 2.97Å; R2475-I2477 PolarHBondContact O-N 3.12Å; R2475-I2477 VanDerWaalsContact O-N 3.16Å
2476	P	31.6	Very low	31.9	Very low	109.4 Å²	109.4	126.2 Å²	126.2	71%	0.71	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-73.6	139.5	178.5	27.7	-28.8	0	0	0	109.8	H2474 S2478	H2474-P2476 WeakPolarHBondContact O-CD 3.33Å; P2476-S2478 PolarHBondContact O-N 3.16Å; P2476-S2478 VanDerWaalsContact O-N 3.1Å
2477	I	32.5	Very low	32.5	Very low	146.6 Å²	146.6	126.6 Å²	126.6	75%	0.752	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-88.8	121.4	156.4	-65	175.5	0	0	0	107.8	R2475 L2479 S2484	R2475-I2477 PolarHBondContact O-N 3.12Å; R2475-I2477 VanDerWaalsContact O-N 3.16Å; I2477-L2479 VanDerWaalsContact C-N 3.3Å; I2477-L2479 HydrophobicContact CG2-CD1 4.37Å; I2477-L2479 HydrophobicContact CG2-CD2 4.21Å; I2477-L2479 HydrophobicContact CG2-CG 4.43Å; I2477-L2479 PolarHBondContact O-N 3.28Å; I2477-S2484 WeakPolarHBondContact CG2-OG 3.45Å
2478	S	30.8	Very low	33	Very low	99 Å²	99	123.9 Å²	123.9	69%	0.692	68%	0.681	S	S	*	*			trans	-72.5	104.1	175.4	-20.3	0	0	0	0	110.8	P2476 S2480 S2484	P2476-S2478 PolarHBondContact O-N 3.16Å; P2476-S2478 VanDerWaalsContact O-N 3.1Å; S2478-S2480 WeakPolarHBondContact CB-OG 3.33Å; S2478-S2480 PolarHBondContact O-N 3.2Å; S2478-S2484 PolarHBondContact O-OG 2.9Å
2479	L	30.2	Very low	33.4	Very low	127.2 Å²	127.2	122.1 Å²	122.1	67%	0.666	67%	0.668	S	S	*	*			trans	-57.6	91.1	158.2	-67.3	177	0	0	0	111.6	I2477 D2483	I2477-L2479 VanDerWaalsContact C-N 3.3Å; I2477-L2479 HydrophobicContact CG2-CD1 4.37Å; I2477-L2479 HydrophobicContact CG2-CD2 4.21Å; I2477-L2479 HydrophobicContact CG2-CG 4.43Å; I2477-L2479 PolarHBondContact O-N 3.28Å; L2479-D2483 HydrophobicContact CB-CB 4Å; L2479-D2483 HydrophobicContact CD1-CB 3.89Å
2480	S	31.9	Very low	33.9	Very low	98.6 Å²	98.6	127.7 Å²	127.7	69%	0.69	67%	0.666	S	S	*	*			trans	-98	110.6	167.9	53.4	0	0	0	0	110.3	S2478 T2482 D2483	S2478-S2480 WeakPolarHBondContact CB-OG 3.33Å; S2478-S2480 PolarHBondContact O-N 3.2Å; S2480-T2482 PolarHBondContact O-N 3.34Å; S2480-D2483 PolarHBondContact O-N 3.11Å; S2480-D2483 VanDerWaalsContact O-N 3.13Å
2481	S	34.6	Very low	34.3	Very low	82.8 Å²	82.8	122.5 Å²	122.5	58%	0.579	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	72.9	177.4	46.5	0	0	0	0	114.4	D2483 S2484 F2485	S2481-D2483 PolarHBondContact O-N 3.24Å; S2481-S2484 WeakPolarHBondContact O-CB 3.24Å; S2481-S2484 PolarHBondContact O-N 3.15Å; S2481-S2484 PolarHBondContact OG-OG 3.44Å; S2481-S2484 VanDerWaalsContact OG-OG 3.09Å; S2481-F2485 WeakPolarHBondContact O-CD2 3.27Å
2482	T	38.3	Very low	34.6	Very low	104.8 Å²	104.8	119.2 Å²	119.2	64%	0.643	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-24.5	173.2	-4.8	0	0	0	0	114.3	S2480 S2484 F2485 L2486	S2480-T2482 PolarHBondContact O-N 3.34Å; T2482-S2484 VanDerWaalsContact C-N 3.29Å; T2482-S2484 PolarHBondContact O-N 2.95Å; T2482-S2484 VanDerWaalsContact O-N 3.13Å; T2482-F2485 CarbonylContact O-C 3.59Å; T2482-F2485 WeakPolarHBondContact O-CA 3.48Å; T2482-F2485 WeakPolarHBondContact O-CB 3.41Å; T2482-F2485 PolarHBondContact O-N 3.14Å; T2482-L2486 HydrophobicContact CG2-CD1 4.3Å; T2482-L2486 HydrophobicContact CG2-CG 4.38Å; T2482-L2486 PolarHBondContact O-N 3.04Å
2483	D	37.4	Very low	34.8	Very low	109.6 Å²	109.6	114.5 Å²	114.5	59%	0.586	64%	0.637	S	S	*	*	H	α-helix	trans	-76.6	-11.3	-173.7	-64	-31.7	0	0	0	112.6	L2479 S2480 S2481 F2485 L2486 A2487	L2479-D2483 HydrophobicContact CB-CB 4Å; L2479-D2483 HydrophobicContact CD1-CB 3.89Å; S2480-D2483 PolarHBondContact O-N 3.11Å; S2480-D2483 VanDerWaalsContact O-N 3.13Å; S2481-D2483 PolarHBondContact O-N 3.24Å; D2483-F2485 VanDerWaalsContact C-N 3.26Å; D2483-F2485 PolarHBondContact O-N 3Å; D2483-L2486 PolarHBondContact O-N 3.18Å; D2483-A2487 VanDerWaalsContact O-CB 3.29Å; D2483-A2487 WeakPolarHBondContact O-CB 3.4Å; D2483-A2487 PolarHBondContact O-N 3.03Å
2484	S	37.7	Very low	35.2	Very low	76.8 Å²	76.8	116.9 Å²	116.9	54%	0.537	64%	0.641	S	S	.	*	H	α-helix	trans	-81.4	-15.4	172.1	-65.2	0	0	0	0	112.6	I2477 S2478 S2481 T2482 A2488	I2477-S2484 WeakPolarHBondContact CG2-OG 3.45Å; S2478-S2484 PolarHBondContact O-OG 2.9Å; S2481-S2484 WeakPolarHBondContact O-CB 3.24Å; S2481-S2484 PolarHBondContact O-N 3.15Å; S2481-S2484 PolarHBondContact OG-OG 3.44Å; S2481-S2484 VanDerWaalsContact OG-OG 3.09Å; T2482-S2484 VanDerWaalsContact C-N 3.29Å; T2482-S2484 PolarHBondContact O-N 2.95Å; T2482-S2484 VanDerWaalsContact O-N 3.13Å; S2484-A2488 VanDerWaalsContact O-CB 3.29Å; S2484-A2488 WeakPolarHBondContact O-CB 3.4Å; S2484-A2488 PolarHBondContact O-N 3.26Å; S2484-A2488 VanDerWaalsContact O-N 3.13Å
2485	F	37.2	Very low	35.3	Very low	141.4 Å²	141.4	112.5 Å²	112.5	62%	0.62	64%	0.635	S	S	*	*	H	α-helix	trans	-88.5	-51.2	173.5	-92.2	-82.9	0	0	0	111	S2481 T2482 D2483 A2487 A2488 E2489	S2481-F2485 WeakPolarHBondContact O-CD2 3.27Å; T2482-F2485 CarbonylContact O-C 3.59Å; T2482-F2485 WeakPolarHBondContact O-CA 3.48Å; T2482-F2485 WeakPolarHBondContact O-CB 3.41Å; T2482-F2485 PolarHBondContact O-N 3.14Å; D2483-F2485 VanDerWaalsContact C-N 3.26Å; D2483-F2485 PolarHBondContact O-N 3Å; F2485-A2487 VanDerWaalsContact C-N 3.3Å; F2485-A2487 PolarHBondContact O-N 3.16Å; F2485-A2488 PolarHBondContact O-N 3Å; F2485-A2488 VanDerWaalsContact O-N 3.1Å; F2485-E2489 VanDerWaalsContact O-CB 3.23Å; F2485-E2489 WeakPolarHBondContact O-CB 3.37Å; F2485-E2489 PolarHBondContact O-N 2.99Å
2486	L	41.5	Very low	35.7	Very low	102.8 Å²	102.8	107.3 Å²	107.3	54%	0.538	63%	0.628	S	S	.	*	H	α-helix	trans	-51.3	-16.3	177.7	-68	173.8	0	0	0	113.3	T2482 D2483 A2488 E2489 R2490	T2482-L2486 HydrophobicContact CG2-CD1 4.3Å; T2482-L2486 HydrophobicContact CG2-CG 4.38Å; T2482-L2486 PolarHBondContact O-N 3.04Å; D2483-L2486 PolarHBondContact O-N 3.18Å; L2486-A2488 PolarHBondContact O-N 3.27Å; L2486-E2489 WeakPolarHBondContact CD2-OE2 3.44Å; L2486-R2490 VanDerWaalsContact O-CB 3.3Å; L2486-R2490 WeakPolarHBondContact O-CB 3.47Å; L2486-R2490 VanDerWaalsContact O-CG 3.32Å; L2486-R2490 WeakPolarHBondContact O-CG 3.44Å; L2486-R2490 PolarHBondContact O-N 3.27Å
2487	A	41.4	Very low	35.7	Very low	73 Å²	73	109.2 Å²	109.2	60%	0.603	63%	0.632	S	S	*	*	H	α-helix	trans	-73.6	-25.6	166	0	0	0	0	0	111.6	D2483 F2485 R2490 A2491	D2483-A2487 VanDerWaalsContact O-CB 3.29Å; D2483-A2487 WeakPolarHBondContact O-CB 3.4Å; D2483-A2487 PolarHBondContact O-N 3.03Å; F2485-A2487 VanDerWaalsContact C-N 3.3Å; F2485-A2487 PolarHBondContact O-N 3.16Å; A2487-R2490 PolarHBondContact O-N 2.95Å; A2487-A2491 WeakPolarHBondContact O-CB 3.31Å; A2487-A2491 PolarHBondContact O-N 3.27Å; A2487-A2491 VanDerWaalsContact O-N 3.08Å
2488	A	37.3	Very low	35.7	Very low	48.2 Å²	48.2	105.4 Å²	105.4	40%	0.398	63%	0.628	S	S	.	*	H	α-helix	trans	-82.4	-41.1	176	0	0	0	0	0	111.4	S2484 F2485 L2486 R2490 A2491 C2492	S2484-A2488 VanDerWaalsContact O-CB 3.29Å; S2484-A2488 WeakPolarHBondContact O-CB 3.4Å; S2484-A2488 PolarHBondContact O-N 3.26Å; S2484-A2488 VanDerWaalsContact O-N 3.13Å; F2485-A2488 PolarHBondContact O-N 3Å; F2485-A2488 VanDerWaalsContact O-N 3.1Å; L2486-A2488 PolarHBondContact O-N 3.27Å; A2488-R2490 VanDerWaalsContact C-N 3.3Å; A2488-R2490 PolarHBondContact O-N 3.3Å; A2488-A2491 WeakPolarHBondContact O-CA 3.25Å; A2488-A2491 WeakPolarHBondContact O-CB 3.26Å; A2488-A2491 PolarHBondContact O-N 3.21Å; A2488-A2491 VanDerWaalsContact O-N 3.1Å; A2488-C2492 WeakPolarHBondContact O-CB 3.47Å; A2488-C2492 PolarHBondContact O-N 3.14Å; A2488-C2492 VanDerWaalsContact O-N 3.12Å; A2488-C2492 PolarHBondContact O-SG 2.94Å
2489	E	38.6	Very low	35.8	Very low	126 Å²	126	108 Å²	108	59%	0.589	64%	0.635	S	S	*	*	H	α-helix	trans	-50	-44.1	-179	-104.6	-176.3	166.8	0	0	112.1	F2485 L2486 A2491 C2492 A2493	F2485-E2489 VanDerWaalsContact O-CB 3.23Å; F2485-E2489 WeakPolarHBondContact O-CB 3.37Å; F2485-E2489 PolarHBondContact O-N 2.99Å; L2486-E2489 WeakPolarHBondContact CD2-OE2 3.44Å; E2489-A2491 VanDerWaalsContact C-N 3.27Å; E2489-A2491 PolarHBondContact O-N 2.84Å; E2489-C2492 WeakPolarHBondContact O-CA 3.36Å; E2489-C2492 WeakPolarHBondContact O-CB 3.25Å; E2489-C2492 PolarHBondContact O-N 3.09Å; E2489-A2493 WeakPolarHBondContact O-CB 3.47Å; E2489-A2493 PolarHBondContact O-N 3.08Å; E2489-A2493 VanDerWaalsContact O-N 3.08Å
2490	R	38	Very low	35.9	Very low	190.2 Å²	190.2	110.6 Å²	110.6	72%	0.718	64%	0.644	S	S	*	*	H	α-helix	trans	-73.8	-25.6	174.6	-73.9	-176.2	178	-178.8	0.6	112.5	L2486 A2487 A2488 C2492 A2493 Y2494	L2486-R2490 VanDerWaalsContact O-CB 3.3Å; L2486-R2490 WeakPolarHBondContact O-CB 3.47Å; L2486-R2490 VanDerWaalsContact O-CG 3.32Å; L2486-R2490 WeakPolarHBondContact O-CG 3.44Å; L2486-R2490 PolarHBondContact O-N 3.27Å; A2487-R2490 PolarHBondContact O-N 2.95Å; A2488-R2490 VanDerWaalsContact C-N 3.3Å; A2488-R2490 PolarHBondContact O-N 3.3Å; R2490-C2492 VanDerWaalsContact C-N 3.28Å; R2490-C2492 PolarHBondContact O-N 3.33Å; R2490-A2493 PolarHBondContact O-N 3.28Å; R2490-Y2494 HydrophobicContact CB-CD2 4.22Å; R2490-Y2494 HydrophobicContact CB-CE2 4.44Å; R2490-Y2494 HydrophobicContact CG-CE2 4.45Å; R2490-Y2494 VanDerWaalsContact O-CD2 3.24Å; R2490-Y2494 WeakPolarHBondContact O-CD2 3.29Å; R2490-Y2494 PolarHBondContact O-N 3.29Å
2491	A	38.1	Very low	35.9	Very low	73 Å²	73	112.7 Å²	112.7	60%	0.603	65%	0.647	S	S	*	*	H	α-helix	trans	-75.8	-31.8	166.7	0	0	0	0	0	111.8	A2487 A2488 E2489 A2493	A2487-A2491 WeakPolarHBondContact O-CB 3.31Å; A2487-A2491 PolarHBondContact O-N 3.27Å; A2487-A2491 VanDerWaalsContact O-N 3.08Å; A2488-A2491 WeakPolarHBondContact O-CA 3.25Å; A2488-A2491 WeakPolarHBondContact O-CB 3.26Å; A2488-A2491 PolarHBondContact O-N 3.21Å; A2488-A2491 VanDerWaalsContact O-N 3.1Å; E2489-A2491 VanDerWaalsContact C-N 3.27Å; E2489-A2491 PolarHBondContact O-N 2.84Å; A2491-A2493 VanDerWaalsContact C-N 3.35Å
2492	C	35.2	Very low	35.8	Very low	87.2 Å²	87.2	114.7 Å²	114.7	59%	0.589	66%	0.656	S	S	*	*	H	α-helix	trans	-74.8	-23	176.1	-62.9	0	0	0	0	113.5	A2488 E2489 R2490 Y2494 A2495 T2496	A2488-C2492 WeakPolarHBondContact O-CB 3.47Å; A2488-C2492 PolarHBondContact O-N 3.14Å; A2488-C2492 VanDerWaalsContact O-N 3.12Å; A2488-C2492 PolarHBondContact O-SG 2.94Å; E2489-C2492 WeakPolarHBondContact O-CA 3.36Å; E2489-C2492 WeakPolarHBondContact O-CB 3.25Å; E2489-C2492 PolarHBondContact O-N 3.09Å; R2490-C2492 VanDerWaalsContact C-N 3.28Å; R2490-C2492 PolarHBondContact O-N 3.33Å; C2492-Y2494 PolarHBondContact O-N 2.95Å; C2492-A2495 WeakPolarHBondContact O-CB 3.49Å; C2492-A2495 PolarHBondContact O-N 2.87Å; C2492-A2495 VanDerWaalsContact O-N 3.07Å; C2492-T2496 PolarHBondContact O-N 3.1Å
2493	A	34.1	Very low	35.5	Very low	65.8 Å²	65.8	115.2 Å²	115.2	54%	0.544	66%	0.659	S	S	.	*	H	α-helix	trans	-65.1	-5.4	-176.4	0	0	0	0	0	114.2	E2489 R2490 A2491 A2495 T2496	E2489-A2493 WeakPolarHBondContact O-CB 3.47Å; E2489-A2493 PolarHBondContact O-N 3.08Å; E2489-A2493 VanDerWaalsContact O-N 3.08Å; R2490-A2493 PolarHBondContact O-N 3.28Å; A2491-A2493 VanDerWaalsContact C-N 3.35Å; A2493-A2495 VanDerWaalsContact C-N 3.32Å; A2493-A2495 PolarHBondContact O-N 3.42Å; A2493-T2496 PolarHBondContact O-N 2.83Å; A2493-T2496 PolarHBondContact O-OG1 2.83Å
2494	Y	33.9	Very low	35.2	Very low	201.4 Å²	201.4	115.9 Å²	115.9	79%	0.79	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	30.5	174.1	-79.4	-74.6	0	0	0	113.4	R2490 C2492 T2496	R2490-Y2494 HydrophobicContact CB-CD2 4.22Å; R2490-Y2494 HydrophobicContact CB-CE2 4.44Å; R2490-Y2494 HydrophobicContact CG-CE2 4.45Å; R2490-Y2494 VanDerWaalsContact O-CD2 3.24Å; R2490-Y2494 WeakPolarHBondContact O-CD2 3.29Å; R2490-Y2494 PolarHBondContact O-N 3.29Å; C2492-Y2494 PolarHBondContact O-N 2.95Å; Y2494-T2496 PolarHBondContact O-N 2.95Å
2495	A	34.4	Very low	34.8	Very low	80 Å²	80	119.5 Å²	119.5	66%	0.661	68%	0.681	S	S	*	*	S	Bend	trans	-117.6	14.6	175.8	0	0	0	0	0	113.2	C2492 A2493	C2492-A2495 WeakPolarHBondContact O-CB 3.49Å; C2492-A2495 PolarHBondContact O-N 2.87Å; C2492-A2495 VanDerWaalsContact O-N 3.07Å; A2493-A2495 VanDerWaalsContact C-N 3.32Å; A2493-A2495 PolarHBondContact O-N 3.42Å
2496	T	34.9	Very low	34.4	Very low	110.2 Å²	110.2	118.7 Å²	118.7	68%	0.676	69%	0.687	S	S	*	*			trans	-135.3	32.6	-178.2	54.4	0	0	0	0	113.1	C2492 A2493 Y2494 G2498	C2492-T2496 PolarHBondContact O-N 3.1Å; A2493-T2496 PolarHBondContact O-N 2.83Å; A2493-T2496 PolarHBondContact O-OG1 2.83Å; Y2494-T2496 PolarHBondContact O-N 2.95Å; T2496-G2498 PolarHBondContact O-N 2.67Å
2497	D	32.4	Very low	33.9	Very low	148.8 Å²	148.8	119.2 Å²	119.2	80%	0.796	70%	0.695	S	S	*	*			trans	-112.7	91.1	160.9	-79.8	-35.8	0	0	0	108.3
2498	G	31.4	Very low	33.3	Very low	65.8 Å²	65.8	125.2 Å²	125.2	68%	0.678	70%	0.703	S	S	*	*			trans	-161.4	62.8	-171.9	0	0	0	0	0	113.5	T2496 E2500	T2496-G2498 PolarHBondContact O-N 2.67Å; G2498-E2500 PolarHBondContact O-N 3.28Å; G2498-E2500 VanDerWaalsContact O-N 3.13Å
2499	D	32.8	Very low	32.9	Very low	154.4 Å²	154.4	129 Å²	129	83%	0.826	72%	0.717	S	S	*	*			trans	-33.7	79.8	166.6	-68	-35	0	0	0	113.4	D2501	D2499-D2501 VanDerWaalsContact C-N 3.31Å; D2499-D2501 PolarHBondContact O-N 3.37Å; D2499-D2501 VanDerWaalsContact O-N 3.13Å
2500	E	33.1	Very low	32.5	Very low	181.8 Å²	181.8	127.8 Å²	127.8	85%	0.85	72%	0.718	S	S	*	*			trans	-85.7	106.4	157.8	-76.6	-161.6	147.5	0	0	109.9	G2498 T2502	G2498-E2500 PolarHBondContact O-N 3.28Å; G2498-E2500 VanDerWaalsContact O-N 3.13Å; E2500-T2502 HydrophobicContact CB-CG2 4.42Å; E2500-T2502 PolarHBondContact O-N 2.91Å; E2500-T2502 PolarHBondContact O-OG1 3.08Å
2501	D	32.1	Very low	32.1	Very low	142.4 Å²	142.4	122.9 Å²	122.9	76%	0.761	72%	0.718	S	S	*	*			trans	-69.4	79.6	177.3	-117.6	-17.5	0	0	0	112.2	D2499 T2503	D2499-D2501 VanDerWaalsContact C-N 3.31Å; D2499-D2501 PolarHBondContact O-N 3.37Å; D2499-D2501 VanDerWaalsContact O-N 3.13Å; D2501-T2503 PolarHBondContact O-N 3.25Å; D2501-T2503 VanDerWaalsContact O-N 3.08Å; D2501-T2503 PolarHBondContact O-OG1 2.9Å
2502	T	32.7	Very low	31.8	Very low	125 Å²	125	125 Å²	125	77%	0.767	72%	0.724	S	S	*	*			trans	-107.8	73.3	163	31	0	0	0	0	111.3	E2500 T2504	E2500-T2502 HydrophobicContact CB-CG2 4.42Å; E2500-T2502 PolarHBondContact O-N 2.91Å; E2500-T2502 PolarHBondContact O-OG1 3.08Å; T2502-T2504 VanDerWaalsContact C-N 3.29Å; T2502-T2504 PolarHBondContact O-N 3.31Å
2503	T	32.1	Very low	31.6	Very low	114.6 Å²	114.6	126.6 Å²	126.6	70%	0.703	73%	0.731	S	S	*	*			trans	-82.2	98.4	171.8	41.5	0	0	0	0	111	D2501 N2505	D2501-T2503 PolarHBondContact O-N 3.25Å; D2501-T2503 VanDerWaalsContact O-N 3.08Å; D2501-T2503 PolarHBondContact O-OG1 2.9Å; T2503-N2505 PolarHBondContact O-N 3.19Å
2504	T	30.7	Very low	31.3	Very low	125.8 Å²	125.8	129.1 Å²	129.1	77%	0.772	74%	0.74	S	S	*	*			trans	-89.2	103.5	159.6	43	0	0	0	0	112.3	T2502 T2506	T2502-T2504 VanDerWaalsContact C-N 3.29Å; T2502-T2504 PolarHBondContact O-N 3.31Å; T2504-T2506 PolarHBondContact O-N 3.33Å; T2504-T2506 VanDerWaalsContact O-N 3.09Å
2505	N	28.3	Very low	31.1	Very low	151.2 Å²	151.2	125.4 Å²	125.4	81%	0.809	74%	0.739	S	S	*	*			trans	-124.4	89.1	156.2	-85.1	-32	0	0	0	112.1	T2503 T2507	T2503-N2505 PolarHBondContact O-N 3.19Å; N2505-T2507 PolarHBondContact O-N 3.01Å
2506	T	30.1	Very low	30.8	Very low	124.6 Å²	124.6	127.7 Å²	127.7	76%	0.764	75%	0.745	S	S	*	*			trans	-130.3	106.1	150.4	28.4	0	0	0	0	110.3	T2504 Y2508	T2504-T2506 PolarHBondContact O-N 3.33Å; T2504-T2506 VanDerWaalsContact O-N 3.09Å; T2506-Y2508 HydrophobicContact CG2-CE2 4.44Å
2507	T	30.7	Very low	30.6	Very low	113 Å²	113	128.6 Å²	128.6	69%	0.693	75%	0.75	S	S	*	*			trans	-32.3	119.5	150.9	-54.8	0	0	0	0	110.2	N2505 D2509	N2505-T2507 PolarHBondContact O-N 3.01Å; T2507-D2509 HydrophobicContact CG2-CB 4.3Å; T2507-D2509 WeakPolarHBondContact CG2-OD2 3.33Å; T2507-D2509 PolarHBondContact O-N 3.1Å
2508	Y	27.6	Very low	30.4	Very low	199 Å²	199	126.6 Å²	126.6	78%	0.78	74%	0.743	S	S	*	*			trans	-33.9	123	150	-73.2	-83.1	0	0	0	110.9	T2506 K2578	T2506-Y2508 HydrophobicContact CG2-CE2 4.44Å; Y2508-K2578 HydrophobicContact CD1-CD 3.63Å; Y2508-K2578 HydrophobicContact CD1-CG 4.21Å; Y2508-K2578 HydrophobicContact CE1-CD 3.62Å; Y2508-K2578 HydrophobicContact CE1-CG 3.65Å
2509	D	29.8	Very low	30.3	Very low	129.6 Å²	129.6	133.5 Å²	133.5	69%	0.693	75%	0.75	S	S	*	*				-133.2	148.6	122.5	-126.9	-27.4	0	0	0	110.9	T2507 K2578	T2507-D2509 HydrophobicContact CG2-CB 4.3Å; T2507-D2509 WeakPolarHBondContact CG2-OD2 3.33Å; T2507-D2509 PolarHBondContact O-N 3.1Å; D2509-K2578 PolarHBondContact O-NZ 3.46Å
2510	T	29.8	Very low	30	Very low	99.2 Å²	99.2	132.7 Å²	132.7	61%	0.609	75%	0.746	S	S	*	*			trans	-136.9	124.7	169	-24.5	0	0	0	0	112.6	K2578	T2510-K2578 PolarHBondContact OG1-NZ 3.39Å
2511	A	30.2	Very low	29.8	Very low	87.2 Å²	87.2	129.7 Å²	129.7	72%	0.721	74%	0.741	S	S	*	*			trans	-129.6	120.4	166.7	0	0	0	0	0	113.6	T2513	A2511-T2513 PolarHBondContact O-N 3Å
2512	T	31.6	Very low	29.5	Very low	118.2 Å²	118.2	128.4 Å²	128.4	73%	0.725	74%	0.738	S	S	*	*				-133.3	118	124	28.2	0	0	0	0	113.9
2513	T	30.6	Very low	29.2	Very low	119.8 Å²	119.8	130.6 Å²	130.6	74%	0.735	74%	0.741	S	S	*	*			trans	56.1	105.4	150.1	-8.3	0	0	0	0	118.4	A2511 T2515	A2511-T2513 PolarHBondContact O-N 3Å; T2513-T2515 HydrophobicContact CG2-CG2 4.34Å; T2513-T2515 PolarHBondContact O-N 3.06Å
2514	T	28.9	Very low	28.9	Very low	119.6 Å²	119.6	130.1 Å²	130.1	73%	0.734	74%	0.743	S	S	*	*				-157.8	132.6	97.5	-17.3	0	0	0	0	115.6	T2516	T2514-T2516 PolarHBondContact O-N 3.37Å; T2514-T2516 VanDerWaalsContact O-N 3.16Å
2515	T	29.4	Very low	28.8	Very low	123.4 Å²	123.4	131.9 Å²	131.9	76%	0.757	74%	0.744	S	S	*	*			trans	-124.2	133.3	141.4	39.2	0	0	0	0	116.6	T2513 T2517	T2513-T2515 HydrophobicContact CG2-CG2 4.34Å; T2513-T2515 PolarHBondContact O-N 3.06Å; T2515-T2517 PolarHBondContact O-N 3.39Å; T2515-T2517 VanDerWaalsContact O-N 3.12Å
2516	T	28.6	Very low	28.8	Very low	128.8 Å²	128.8	131.2 Å²	131.2	79%	0.79	74%	0.741	S	S	*	*			trans	-63.7	126.3	157.3	39.3	0	0	0	0	115.8	T2514	T2514-T2516 PolarHBondContact O-N 3.37Å; T2514-T2516 VanDerWaalsContact O-N 3.16Å
2517	T	29	Very low	28.7	Very low	129 Å²	129	131.4 Å²	131.4	79%	0.791	74%	0.737	S	S	*	*			trans	-112.8	142.8	151.2	36.5	0	0	0	0	111.2	T2515 Y2519	T2515-T2517 PolarHBondContact O-N 3.39Å; T2515-T2517 VanDerWaalsContact O-N 3.12Å; T2517-Y2519 PolarHBondContact O-N 3.41Å
2518	T	28.8	Very low	28.7	Very low	106.4 Å²	106.4	134.4 Å²	134.4	65%	0.653	74%	0.74	S	S	*	*			trans	-142.9	146.1	153.6	-54.5	0	0	0	0	110.3
2519	Y	29.5	Very low	28.7	Very low	209.6 Å²	209.6	131.6 Å²	131.6	82%	0.822	74%	0.739	S	S	*	*			trans	118.9	125	166.9	-69.7	-68.7	0	0	0	115.9	T2517	T2517-Y2519 PolarHBondContact O-N 3.41Å
2520	N	27.3	Very low	28.6	Very low	138.4 Å²	138.4	130 Å²	130	74%	0.74	74%	0.738	S	S	*	*			trans	-143.4	137.5	166.9	-84.1	-12	0	0	0	111.7
2521	T	27.5	Very low	28.6	Very low	119.8 Å²	119.8	133.7 Å²	133.7	74%	0.735	75%	0.748	S	S	*	*			trans	100.4	119.6	144.2	-58.8	0	0	0	0	112.3	M2523	T2521-M2523 HydrophobicContact CG2-CG 4.13Å; T2521-M2523 PolarHBondContact O-N 3.23Å
2522	T	26.5	Very low	28.4	Very low	115 Å²	115	136 Å²	136	71%	0.706	75%	0.749	S	S	*	*				152.1	136.8	61.2	-15	0	0	0	0	112
2523	M	27	Very low	28.2	Very low	170.2 Å²	170.2	136.3 Å²	136.3	84%	0.838	75%	0.75	S	S	*	*			trans	69.3	124.1	164.6	-70.9	-42	170.3	0	0	115.9	T2521 M2525	T2521-M2523 HydrophobicContact CG2-CG 4.13Å; T2521-M2523 PolarHBondContact O-N 3.23Å; M2523-M2525 PolarHBondContact O-N 3.33Å
2524	S	25.1	Very low	28.1	Very low	104.2 Å²	104.2	135.7 Å²	135.7	73%	0.729	75%	0.747	S	S	*	*				164.5	132.4	52.4	-176	0	0	0	0	112.5
2525	M	28.3	Very low	27.8	Very low	163.8 Å²	163.8	135.2 Å²	135.2	81%	0.807	75%	0.747	S	S	*	*			trans	76.1	109	158.2	-68.2	-64.9	-176.6	0	0	114.7	M2523	M2523-M2525 PolarHBondContact O-N 3.33Å
2526	N	28.4	Very low	27.9	Very low	137.4 Å²	137.4	134.7 Å²	134.7	74%	0.735	75%	0.746	S	S	*	*				114	112.8	112.8	-112.8	-23.5	0	0	0	112.9	K2528	N2526-K2528 VanDerWaalsContact C-N 3.27Å; N2526-K2528 PolarHBondContact O-N 3.03Å
2527	N	28.9	Very low	27.8	Very low	127.2 Å²	127.2	135.7 Å²	135.7	68%	0.68	75%	0.745	S	S	*	*			trans	63.9	105.4	140.6	-138.8	-18.1	0	0	0	115.4
2528	K	29.6	Very low	27.8	Very low	176 Å²	176	134.6 Å²	134.6	77%	0.765	74%	0.742	S	S	*	*			trans	170.5	128.1	143.9	-83.3	175.7	-179.8	169	0	115	N2526 S2530	N2526-K2528 VanDerWaalsContact C-N 3.27Å; N2526-K2528 PolarHBondContact O-N 3.03Å; K2528-S2530 PolarHBondContact O-N 3.34Å
2529	N	28.2	Very low	27.8	Very low	140.8 Å²	140.8	136.3 Å²	136.3	75%	0.753	75%	0.747	S	S	*	*			trans	27.2	126.2	153.3	-92.9	9.3	0	0	0	117.5	Q2531	N2529-Q2531 HydrophobicContact CB-CB 4.43Å; N2529-Q2531 HydrophobicContact CB-CG 4.05Å; N2529-Q2531 PolarHBondContact O-N 2.94Å
2530	S	26.6	Very low	27.8	Very low	97 Å²	97	134 Å²	134	68%	0.678	75%	0.748	S	S	*	*				57.8	110	122.2	68.4	0	0	0	0	116.7	K2528	K2528-S2530 PolarHBondContact O-N 3.34Å
2531	Q	30.9	Very low	27.7	Very low	175 Å²	175	132.8 Å²	132.8	82%	0.818	75%	0.749	S	S	*	*			trans	-164.5	132.9	142	-85.7	-146.8	-0.8	0	0	113.7	N2529 T2533	N2529-Q2531 HydrophobicContact CB-CB 4.43Å; N2529-Q2531 HydrophobicContact CB-CG 4.05Å; N2529-Q2531 PolarHBondContact O-N 2.94Å; Q2531-T2533 PolarHBondContact O-N 3.08Å
2532	N	25	Very low	27.6	Very low	136.6 Å²	136.6	134 Å²	134	73%	0.73	75%	0.751	S	S	*	*			trans	-96.4	123	172.8	-130.7	5.9	0	0	0	111.9	T2211 T2534	T2211-N2532 PolarHBondContact OG1-OD1 2.84Å; N2532-T2534 PolarHBondContact O-N 2.88Å
2533	T	29.1	Very low	27.7	Very low	124.4 Å²	124.4	133.6 Å²	133.6	76%	0.763	75%	0.752	S	S	*	*			trans	-105.4	122.7	155.6	43.2	0	0	0	0	110.9	I2209 P2210 T2211 Q2531 C2535	I2209-T2533 CarbonylContact C-O 3.02Å; I2209-T2533 WeakPolarHBondContact CA-O 3.3Å; I2209-T2533 WeakPolarHBondContact CB-O 3.33Å; I2209-T2533 VanDerWaalsContact CG2-O 3.26Å; I2209-T2533 WeakPolarHBondContact CG2-O 3.48Å; I2209-T2533 WeakPolarHBondContact CG2-OG1 3.32Å; P2210-T2533 CarbonylContact C-O 3.19Å; P2210-T2533 VanDerWaalsContact CA-O 3.26Å; P2210-T2533 WeakPolarHBondContact CA-O 3.46Å; P2210-T2533 WeakPolarHBondContact CD-O 3.33Å; P2210-T2533 CarbonylContact O-C 3.59Å; P2210-T2533 VanDerWaalsContact O-O 3.1Å; T2211-T2533 VanDerWaalsContact OG1-C 3.26Å; T2211-T2533 WeakPolarHBondContact OG1-CA 3.39Å; T2211-T2533 PolarHBondContact OG1-N 2.84Å; Q2531-T2533 PolarHBondContact O-N 3.08Å; T2533-C2535 PolarHBondContact O-N 2.72Å; T2533-C2535 VanDerWaalsContact O-N 3.07Å
2534	T	26.8	Very low	27.9	Very low	107.8 Å²	107.8	132.7 Å²	132.7	66%	0.661	75%	0.746	S	S	*	*			trans	-105.8	125.9	-179.2	-43.8	0	0	0	0	113.4	I2209 N2532 P2536	I2209-T2534 WeakPolarHBondContact CB-O 3.37Å; I2209-T2534 WeakPolarHBondContact CD1-O 3.48Å; I2209-T2534 WeakPolarHBondContact CG1-O 3.49Å; I2209-T2534 VanDerWaalsContact CG2-N 3.31Å; I2209-T2534 CarbonylContact O-C 3.22Å; N2532-T2534 PolarHBondContact O-N 2.88Å; T2534-P2536 WeakPolarHBondContact O-CD 3.26Å
2535	C	24	Very low	28.2	Very low	108.2 Å²	108.2	132.7 Å²	132.7	73%	0.731	75%	0.746	S	S	*	*			trans	-81.6	142.9	154.5	-68.2	0	0	0	0	113.1	I2209 T2533 I2537	I2209-C2535 WeakPolarHBondContact O-CA 3.38Å; I2209-C2535 PolarHBondContact O-N 3.11Å; I2209-C2535 VanDerWaalsContact O-N 3.13Å; T2533-C2535 PolarHBondContact O-N 2.72Å; T2533-C2535 VanDerWaalsContact O-N 3.07Å; C2535-I2537 PolarHBondContact O-N 2.84Å
2536	P	30.6	Very low	28.4	Very low	112.6 Å²	112.6	131.7 Å²	131.7	73%	0.731	74%	0.743	S	S	*	*			trans	-112.4	142.6	159.2	35.1	-27.7	0	0	0	115.2	T2534 S2538	T2534-P2536 WeakPolarHBondContact O-CD 3.26Å; P2536-S2538 PolarHBondContact O-N 2.8Å
2537	I	27.3	Very low	28.8	Very low	150 Å²	150	134.2 Å²	134.2	77%	0.769	74%	0.743	S	S	*	*			trans	0.6	126.9	148.1	-63.9	168.1	0	0	0	114.4	C2535 N2539	C2535-I2537 PolarHBondContact O-N 2.84Å; I2537-N2539 PolarHBondContact O-N 2.9Å
2538	S	29	Very low	29.5	Very low	105.4 Å²	105.4	132.5 Å²	132.5	74%	0.737	73%	0.734	S	S	*	*			trans	-140.5	117.9	146.3	53.8	0	0	0	0	112.7	P2536 I2540	P2536-S2538 PolarHBondContact O-N 2.8Å; S2538-I2540 PolarHBondContact O-N 3.34Å
2539	N	27.4	Very low	30.2	Very low	143.6 Å²	143.6	131.4 Å²	131.4	77%	0.768	73%	0.725	S	S	*	*			trans	-80	139.1	172.7	-71.2	-20.1	0	0	0	111.6	I2537 C2541	I2537-N2539 PolarHBondContact O-N 2.9Å; N2539-C2541 PolarHBondContact O-N 3.27Å
2540	I	29.3	Very low	31.4	Very low	160.8 Å²	160.8	130.7 Å²	130.7	83%	0.825	72%	0.721	S	S	*	*			trans	-168.7	104.2	148.8	-70.1	150.3	0	0	0	110	S2538	S2538-I2540 PolarHBondContact O-N 3.34Å
2541	C	26	Very low	32.6	Very low	112.4 Å²	112.4	132.5 Å²	132.5	76%	0.759	72%	0.719	S	S	*	*			trans	146.7	89.8	161.6	-115.4	0	0	0	0	112.9	N2539 S2543	N2539-C2541 PolarHBondContact O-N 3.27Å; C2541-S2543 PolarHBondContact O-N 2.85Å
2542	N	26.3	Very low	33.7	Very low	145.2 Å²	145.2	127.4 Å²	127.4	78%	0.776	70%	0.7	S	S	*	*			trans	20.8	89.2	144	-108.5	16.9	0	0	0	116.1	Q2544	N2542-Q2544 VanDerWaalsContact C-N 3.3Å; N2542-Q2544 PolarHBondContact O-N 3.22Å; N2542-Q2544 VanDerWaalsContact O-N 3.1Å
2543	S	28.2	Very low	34.9	Very low	106.6 Å²	106.6	124.8 Å²	124.8	75%	0.745	68%	0.683	S	S	*	*			trans	-90	82.9	156	47.6	0	0	0	0	114	C2541 S2545	C2541-S2543 PolarHBondContact O-N 2.85Å; S2543-S2545 VanDerWaalsContact C-N 3.3Å; S2543-S2545 PolarHBondContact O-N 2.97Å
2544	Q	30.4	Very low	35.9	Very low	151.8 Å²	151.8	123.1 Å²	123.1	71%	0.709	67%	0.669	S	S	*	*			trans	-77.9	93.7	170.2	-126.4	71.2	22.9	0	0	113.5	N2542 I2546	N2542-Q2544 VanDerWaalsContact C-N 3.3Å; N2542-Q2544 PolarHBondContact O-N 3.22Å; N2542-Q2544 VanDerWaalsContact O-N 3.1Å; Q2544-I2546 HydrophobicContact CB-CD1 4.25Å; Q2544-I2546 HydrophobicContact CB-CG1 4.26Å; Q2544-I2546 HydrophobicContact CG-CD1 3.85Å; Q2544-I2546 HydrophobicContact CG-CG1 4Å; Q2544-I2546 VanDerWaalsContact NE2-CG1 3.33Å; Q2544-I2546 PolarHBondContact O-N 2.99Å
2545	S	30.8	Very low	37.1	Very low	104 Å²	104	120.3 Å²	120.3	73%	0.727	66%	0.657	S	S	*	*			trans	-89.9	80.2	144.4	57.2	0	0	0	0	112.5	S2543 Y2547	S2543-S2545 VanDerWaalsContact C-N 3.3Å; S2543-S2545 PolarHBondContact O-N 2.97Å; S2545-Y2547 VanDerWaalsContact C-N 3.29Å; S2545-Y2547 PolarHBondContact O-N 3.49Å
2546	I	34.5	Very low	38.4	Very low	142.4 Å²	142.4	119.1 Å²	119.1	73%	0.73	64%	0.643	S	S	*	*			trans	-83.6	124.7	166.9	-64.1	173.3	0	0	0	107.9	Q2544 D2548	Q2544-I2546 HydrophobicContact CB-CD1 4.25Å; Q2544-I2546 HydrophobicContact CB-CG1 4.26Å; Q2544-I2546 HydrophobicContact CG-CD1 3.85Å; Q2544-I2546 HydrophobicContact CG-CG1 4Å; Q2544-I2546 VanDerWaalsContact NE2-CG1 3.33Å; Q2544-I2546 PolarHBondContact O-N 2.99Å; I2546-D2548 VanDerWaalsContact C-N 3.34Å; I2546-D2548 PolarHBondContact O-N 3.15Å
2547	Y	36.8	Very low	39.1	Very low	191.4 Å²	191.4	117.7 Å²	117.7	75%	0.751	63%	0.629	S	S	*	*			trans	-60.1	124.1	169.5	-75.2	-95.6	0	0	0	110.8	S2545 W2549	S2545-Y2547 VanDerWaalsContact C-N 3.29Å; S2545-Y2547 PolarHBondContact O-N 3.49Å; Y2547-W2549 VanDerWaalsContact C-N 3.32Å; Y2547-W2549 AromaticContact CD1-CD1 3.89Å; Y2547-W2549 PolarHBondContact O-N 3.16Å
2548	D	42.1	Very low	40	Very low	90.4 Å²	90.4	116.8 Å²	116.8	48%	0.483	62%	0.621	S	S	.	*			trans	-74.5	83.5	-179.3	-166.6	-5.9	0	0	0	111.4	I2546 D2550 H2551 V2552	I2546-D2548 VanDerWaalsContact C-N 3.34Å; I2546-D2548 PolarHBondContact O-N 3.15Å; D2548-D2550 PolarHBondContact O-N 3.18Å; D2548-D2550 WeakPolarHBondContact OD1-CB 3.05Å; D2548-D2550 PolarHBondContact OD1-N 3.03Å; D2548-H2551 HydrophobicContact CB-CB 4.08Å; D2548-H2551 WeakPolarHBondContact O-CA 3.49Å; D2548-H2551 WeakPolarHBondContact O-CB 3.4Å; D2548-H2551 PolarHBondContact O-N 3.29Å; D2548-H2551 PolarHBondContact OD1-N 2.95Å; D2548-H2551 IonicContact OD1-ND1 3.31Å; D2548-H2551 WeakPolarHBondContact OD2-CB 3.45Å; D2548-H2551 IonicContact OD2-CD2 3.32Å; D2548-H2551 IonicContact OD2-CE1 3.36Å; D2548-H2551 IonicContact OD2-CG 3.63Å; D2548-H2551 IonicContact OD2-ND1 3.16Å; D2548-H2551 PolarHBondContact OD2-ND1 2.98Å; D2548-V2552 HydrophobicContact CB-CG2 4.42Å; D2548-V2552 WeakPolarHBondContact O-CG2 3.48Å; D2548-V2552 PolarHBondContact O-N 3.2Å
2549	W	44.6	Very low	40.6	Very low	153.8 Å²	153.8	117.7 Å²	117.7	58%	0.583	62%	0.617	S	S	*	*	H	α-helix	trans	-76.8	-27.1	175.5	-101.3	100.5	0	0	0	111.9	Y2547 H2551 V2552 Q2553	Y2547-W2549 VanDerWaalsContact C-N 3.32Å; Y2547-W2549 AromaticContact CD1-CD1 3.89Å; Y2547-W2549 PolarHBondContact O-N 3.16Å; W2549-H2551 VanDerWaalsContact C-N 3.33Å; W2549-H2551 PolarHBondContact O-N 3.11Å; W2549-V2552 HydrophobicContact CE3-CB 4.19Å; W2549-V2552 HydrophobicContact CE3-CG1 4.18Å; W2549-V2552 HydrophobicContact CZ3-CB 4.4Å; W2549-V2552 HydrophobicContact CZ3-CG1 4.06Å; W2549-V2552 WeakPolarHBondContact O-CB 3.47Å; W2549-V2552 PolarHBondContact O-N 3.1Å; W2549-Q2553 WeakPolarHBondContact O-CA 3.5Å; W2549-Q2553 VanDerWaalsContact O-CB 3.3Å; W2549-Q2553 WeakPolarHBondContact O-CB 3.36Å; W2549-Q2553 PolarHBondContact O-N 3.14Å
2550	D	52.6	Low	41.3	Very low	124.8 Å²	124.8	114.5 Å²	114.5	67%	0.667	61%	0.606	S	S	*	*	H	α-helix	trans	-69.8	-31.8	176.2	-73.5	-28.2	0	0	0	112	D2548 Q2553 N2554	D2548-D2550 PolarHBondContact O-N 3.18Å; D2548-D2550 WeakPolarHBondContact OD1-CB 3.05Å; D2548-D2550 PolarHBondContact OD1-N 3.03Å; D2550-Q2553 PolarHBondContact O-N 2.99Å; D2550-N2554 WeakPolarHBondContact O-CB 3.44Å; D2550-N2554 VanDerWaalsContact O-CG 3.29Å; D2550-N2554 PolarHBondContact O-N 3.15Å; D2550-N2554 PolarHBondContact O-ND2 3.43Å
2551	H	53.3	Low	41.7	Very low	135.6 Å²	135.6	110.9 Å²	110.9	63%	0.628	60%	0.595	S	S	*	*	H	α-helix	trans	-70.3	-38.2	170.8	-118.5	81.5	0	0	0	112.2	D2548 W2549 Q2553 N2554 A2555	D2548-H2551 HydrophobicContact CB-CB 4.08Å; D2548-H2551 WeakPolarHBondContact O-CA 3.49Å; D2548-H2551 WeakPolarHBondContact O-CB 3.4Å; D2548-H2551 PolarHBondContact O-N 3.29Å; D2548-H2551 PolarHBondContact OD1-N 2.95Å; D2548-H2551 IonicContact OD1-ND1 3.31Å; D2548-H2551 WeakPolarHBondContact OD2-CB 3.45Å; D2548-H2551 IonicContact OD2-CD2 3.32Å; D2548-H2551 IonicContact OD2-CE1 3.36Å; D2548-H2551 IonicContact OD2-CG 3.63Å; D2548-H2551 IonicContact OD2-ND1 3.16Å; D2548-H2551 PolarHBondContact OD2-ND1 2.98Å; W2549-H2551 VanDerWaalsContact C-N 3.33Å; W2549-H2551 PolarHBondContact O-N 3.11Å; H2551-Q2553 VanDerWaalsContact C-N 3.31Å; H2551-N2554 PolarHBondContact O-N 3.14Å; H2551-A2555 WeakPolarHBondContact O-CB 3.36Å; H2551-A2555 PolarHBondContact O-N 3.19Å; H2551-A2555 VanDerWaalsContact O-N 3.11Å
2552	V	53.1	Low	42.2	Very low	68.6 Å²	68.6	111.7 Å²	111.7	42%	0.416	59%	0.591	S	S	.	*	H	α-helix	trans	-65.6	-43.4	173.6	177.9	0	0	0	0	110.4	D2548 W2549 N2554 A2555 I2556	D2548-V2552 HydrophobicContact CB-CG2 4.42Å; D2548-V2552 WeakPolarHBondContact O-CG2 3.48Å; D2548-V2552 PolarHBondContact O-N 3.2Å; W2549-V2552 HydrophobicContact CE3-CB 4.19Å; W2549-V2552 HydrophobicContact CE3-CG1 4.18Å; W2549-V2552 HydrophobicContact CZ3-CB 4.4Å; W2549-V2552 HydrophobicContact CZ3-CG1 4.06Å; W2549-V2552 WeakPolarHBondContact O-CB 3.47Å; W2549-V2552 PolarHBondContact O-N 3.1Å; V2552-N2554 VanDerWaalsContact C-N 3.35Å; V2552-N2554 PolarHBondContact O-N 3.19Å; V2552-A2555 WeakPolarHBondContact O-CB 3.35Å; V2552-A2555 PolarHBondContact O-N 3.2Å; V2552-I2556 HydrophobicContact CG1-CD1 3.94Å; V2552-I2556 HydrophobicContact CG1-CG1 4.47Å; V2552-I2556 WeakPolarHBondContact O-CB 3.44Å; V2552-I2556 VanDerWaalsContact O-CG1 3.31Å; V2552-I2556 WeakPolarHBondContact O-CG1 3.36Å; V2552-I2556 PolarHBondContact O-N 3.14Å
2553	Q	50.7	Low	42.6	Very low	81.2 Å²	81.2	112.7 Å²	112.7	38%	0.379	59%	0.59	S	S	.	*	H	α-helix	trans	-68.1	-36.4	177.8	-149.6	67.8	16.5	0	0	111.9	W2549 D2550 H2551 A2555 I2556 N2557	W2549-Q2553 WeakPolarHBondContact O-CA 3.5Å; W2549-Q2553 VanDerWaalsContact O-CB 3.3Å; W2549-Q2553 WeakPolarHBondContact O-CB 3.36Å; W2549-Q2553 PolarHBondContact O-N 3.14Å; D2550-Q2553 PolarHBondContact O-N 2.99Å; H2551-Q2553 VanDerWaalsContact C-N 3.31Å; Q2553-A2555 VanDerWaalsContact C-N 3.34Å; Q2553-I2556 PolarHBondContact O-N 3.05Å; Q2553-N2557 PolarHBondContact NE2-OD1 3.14Å; Q2553-N2557 VanDerWaalsContact O-CB 3.23Å; Q2553-N2557 WeakPolarHBondContact O-CB 3.36Å; Q2553-N2557 PolarHBondContact O-N 3.08Å; Q2553-N2557 PolarHBondContact O-ND2 3.21Å; Q2553-N2557 PolarHBondContact O-OD1 3.16Å
2554	N	50.8	Low	42.8	Very low	87.8 Å²	87.8	113.9 Å²	113.9	47%	0.47	59%	0.589	S	S	.	*	H	α-helix	trans	-68.8	-32	171.4	-89.7	-47.3	0	0	0	112.9	D2550 H2551 V2552 N2557 Q2558	D2550-N2554 WeakPolarHBondContact O-CB 3.44Å; D2550-N2554 VanDerWaalsContact O-CG 3.29Å; D2550-N2554 PolarHBondContact O-N 3.15Å; D2550-N2554 PolarHBondContact O-ND2 3.43Å; H2551-N2554 PolarHBondContact O-N 3.14Å; V2552-N2554 VanDerWaalsContact C-N 3.35Å; V2552-N2554 PolarHBondContact O-N 3.19Å; N2554-N2557 PolarHBondContact O-N 3.32Å; N2554-Q2558 VanDerWaalsContact O-CB 3.28Å; N2554-Q2558 WeakPolarHBondContact O-CB 3.32Å; N2554-Q2558 VanDerWaalsContact O-CG 3.27Å; N2554-Q2558 WeakPolarHBondContact O-CG 3.29Å; N2554-Q2558 PolarHBondContact O-N 3.26Å; N2554-Q2558 PolarHBondContact O-NE2 3.26Å
2555	A	50.3	Low	42.9	Very low	50.2 Å²	50.2	113.5 Å²	113.5	42%	0.415	59%	0.592	S	S	.	*	H	α-helix	trans	-66.6	-45.2	171.6	0	0	0	0	0	111.2	H2551 V2552 Q2553 N2557 Q2558 L2559	H2551-A2555 WeakPolarHBondContact O-CB 3.36Å; H2551-A2555 PolarHBondContact O-N 3.19Å; H2551-A2555 VanDerWaalsContact O-N 3.11Å; V2552-A2555 WeakPolarHBondContact O-CB 3.35Å; V2552-A2555 PolarHBondContact O-N 3.2Å; Q2553-A2555 VanDerWaalsContact C-N 3.34Å; A2555-N2557 VanDerWaalsContact C-N 3.34Å; A2555-N2557 PolarHBondContact O-N 3.14Å; A2555-Q2558 PolarHBondContact O-N 3Å; A2555-L2559 WeakPolarHBondContact O-CB 3.38Å; A2555-L2559 WeakPolarHBondContact O-CD1 3.47Å; A2555-L2559 VanDerWaalsContact O-CG 3.32Å; A2555-L2559 WeakPolarHBondContact O-CG 3.37Å; A2555-L2559 PolarHBondContact O-N 2.97Å
2556	I	52.8	Low	43	Very low	82.6 Å²	82.6	115.5 Å²	115.5	42%	0.424	59%	0.594	S	S	.	*	H	α-helix	trans	-62.1	-43.3	175	-68.5	167.1	0	0	0	111.1	V2552 Q2553 Q2558 L2559 S2560	V2552-I2556 HydrophobicContact CG1-CD1 3.94Å; V2552-I2556 HydrophobicContact CG1-CG1 4.47Å; V2552-I2556 WeakPolarHBondContact O-CB 3.44Å; V2552-I2556 VanDerWaalsContact O-CG1 3.31Å; V2552-I2556 WeakPolarHBondContact O-CG1 3.36Å; V2552-I2556 PolarHBondContact O-N 3.14Å; Q2553-I2556 PolarHBondContact O-N 3.05Å; I2556-Q2558 VanDerWaalsContact C-N 3.31Å; I2556-Q2558 PolarHBondContact O-N 3.11Å; I2556-L2559 CarbonylContact O-C 3.59Å; I2556-L2559 WeakPolarHBondContact O-CA 3.47Å; I2556-L2559 WeakPolarHBondContact O-CB 3.4Å; I2556-L2559 PolarHBondContact O-N 3.1Å; I2556-L2559 VanDerWaalsContact O-N 3.11Å; I2556-S2560 WeakPolarHBondContact O-CB 3.43Å; I2556-S2560 PolarHBondContact O-N 3.08Å; I2556-S2560 PolarHBondContact O-OG 3.19Å
2557	N	44.6	Very low	43	Very low	83.2 Å²	83.2	117.4 Å²	117.4	45%	0.445	60%	0.6	S	S	.	*	H	α-helix	trans	-67.8	-32.9	178.6	-68.9	-12	0	0	0	112.4	Q2553 N2554 A2555 S2560 S2561	Q2553-N2557 PolarHBondContact NE2-OD1 3.14Å; Q2553-N2557 VanDerWaalsContact O-CB 3.23Å; Q2553-N2557 WeakPolarHBondContact O-CB 3.36Å; Q2553-N2557 PolarHBondContact O-N 3.08Å; Q2553-N2557 PolarHBondContact O-ND2 3.21Å; Q2553-N2557 PolarHBondContact O-OD1 3.16Å; N2554-N2557 PolarHBondContact O-N 3.32Å; A2555-N2557 VanDerWaalsContact C-N 3.34Å; A2555-N2557 PolarHBondContact O-N 3.14Å; N2557-S2560 VanDerWaalsContact C-OG 3.27Å; N2557-S2560 WeakPolarHBondContact CA-OG 3.44Å; N2557-S2560 CarbonylContact O-C 3.04Å; N2557-S2560 PolarHBondContact O-N 3.1Å; N2557-S2560 PolarHBondContact O-OG 3.32Å; N2557-S2561 VanDerWaalsContact O-CB 3.29Å; N2557-S2561 WeakPolarHBondContact O-CB 3.3Å; N2557-S2561 PolarHBondContact O-N 3.18Å; N2557-S2561 VanDerWaalsContact O-N 3.08Å; N2557-S2561 PolarHBondContact O-OG 3.07Å
2558	Q	46.4	Very low	42.7	Very low	130.8 Å²	130.8	115.2 Å²	115.2	61%	0.611	60%	0.6	S	S	*	*	H	α-helix	trans	-72	-39.2	172.2	-76	-179.8	58.1	0	0	111.8	N2554 A2555 I2556 S2560 S2561 I2562	N2554-Q2558 VanDerWaalsContact O-CB 3.28Å; N2554-Q2558 WeakPolarHBondContact O-CB 3.32Å; N2554-Q2558 VanDerWaalsContact O-CG 3.27Å; N2554-Q2558 WeakPolarHBondContact O-CG 3.29Å; N2554-Q2558 PolarHBondContact O-N 3.26Å; N2554-Q2558 PolarHBondContact O-NE2 3.26Å; A2555-Q2558 PolarHBondContact O-N 3Å; I2556-Q2558 VanDerWaalsContact C-N 3.31Å; I2556-Q2558 PolarHBondContact O-N 3.11Å; Q2558-S2560 VanDerWaalsContact C-N 3.28Å; Q2558-S2560 PolarHBondContact O-N 3.15Å; Q2558-S2561 WeakPolarHBondContact CA-OG 3.38Å; Q2558-S2561 PolarHBondContact O-N 2.99Å; Q2558-S2561 VanDerWaalsContact O-N 3.11Å; Q2558-S2561 PolarHBondContact O-OG 2.97Å; Q2558-S2561 VanDerWaalsContact O-OG 3.06Å; Q2558-I2562 WeakPolarHBondContact O-CD1 3.34Å; Q2558-I2562 VanDerWaalsContact O-CG1 3.28Å; Q2558-I2562 WeakPolarHBondContact O-CG1 3.42Å; Q2558-I2562 PolarHBondContact O-N 3.45Å; Q2558-I2562 VanDerWaalsContact O-N 3.11Å
2559	L	40.6	Very low	42.2	Very low	124.8 Å²	124.8	117.2 Å²	117.2	65%	0.653	61%	0.611	S	S	*	*	H	α-helix	trans	-62.4	-37.4	172.5	-73.4	164.9	0	0	0	112.1	A2555 I2556 S2561 I2562 Q2563	A2555-L2559 WeakPolarHBondContact O-CB 3.38Å; A2555-L2559 WeakPolarHBondContact O-CD1 3.47Å; A2555-L2559 VanDerWaalsContact O-CG 3.32Å; A2555-L2559 WeakPolarHBondContact O-CG 3.37Å; A2555-L2559 PolarHBondContact O-N 2.97Å; I2556-L2559 CarbonylContact O-C 3.59Å; I2556-L2559 WeakPolarHBondContact O-CA 3.47Å; I2556-L2559 WeakPolarHBondContact O-CB 3.4Å; I2556-L2559 PolarHBondContact O-N 3.1Å; I2556-L2559 VanDerWaalsContact O-N 3.11Å; L2559-S2561 VanDerWaalsContact C-N 3.3Å; L2559-S2561 PolarHBondContact O-N 3.21Å; L2559-I2562 HydrophobicContact CB-CD1 4.24Å; L2559-I2562 HydrophobicContact CD2-CD1 4.48Å; L2559-I2562 VanDerWaalsContact O-CB 3.25Å; L2559-I2562 WeakPolarHBondContact O-CB 3.45Å; L2559-I2562 VanDerWaalsContact O-CD1 3.26Å; L2559-I2562 WeakPolarHBondContact O-CD1 3.45Å; L2559-I2562 WeakPolarHBondContact O-CG1 3.45Å; L2559-I2562 PolarHBondContact O-N 3.15Å; L2559-Q2563 PolarHBondContact O-N 3.43Å
2560	S	43.2	Very low	41.7	Very low	76.4 Å²	76.4	117.4 Å²	117.4	53%	0.534	62%	0.618	S	S	.	*	H	α-helix	trans	-70.9	-14	174.7	70.6	0	0	0	0	114.4	I2556 N2557 Q2558 I2562 N2564	I2556-S2560 WeakPolarHBondContact O-CB 3.43Å; I2556-S2560 PolarHBondContact O-N 3.08Å; I2556-S2560 PolarHBondContact O-OG 3.19Å; N2557-S2560 VanDerWaalsContact C-OG 3.27Å; N2557-S2560 WeakPolarHBondContact CA-OG 3.44Å; N2557-S2560 CarbonylContact O-C 3.04Å; N2557-S2560 PolarHBondContact O-N 3.1Å; N2557-S2560 PolarHBondContact O-OG 3.32Å; Q2558-S2560 VanDerWaalsContact C-N 3.28Å; Q2558-S2560 PolarHBondContact O-N 3.15Å; S2560-I2562 VanDerWaalsContact C-N 3.32Å; S2560-I2562 PolarHBondContact O-N 3.17Å; S2560-N2564 PolarHBondContact O-ND2 3.47Å
2561	S	37.5	Very low	40.8	Very low	85.4 Å²	85.4	117.4 Å²	117.4	60%	0.597	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-8.6	177	106.4	0	0	0	0	114	N2557 Q2558 L2559 Q2563	N2557-S2561 VanDerWaalsContact O-CB 3.29Å; N2557-S2561 WeakPolarHBondContact O-CB 3.3Å; N2557-S2561 PolarHBondContact O-N 3.18Å; N2557-S2561 VanDerWaalsContact O-N 3.08Å; N2557-S2561 PolarHBondContact O-OG 3.07Å; Q2558-S2561 WeakPolarHBondContact CA-OG 3.38Å; Q2558-S2561 PolarHBondContact O-N 2.99Å; Q2558-S2561 VanDerWaalsContact O-N 3.11Å; Q2558-S2561 PolarHBondContact O-OG 2.97Å; Q2558-S2561 VanDerWaalsContact O-OG 3.06Å; L2559-S2561 VanDerWaalsContact C-N 3.3Å; L2559-S2561 PolarHBondContact O-N 3.21Å; S2561-Q2563 VanDerWaalsContact C-N 3.3Å
2562	I	36.2	Very low	39.9	Very low	128.2 Å²	128.2	119.1 Å²	119.1	66%	0.657	62%	0.624	S	S	*	*	H	α-helix	trans	-88.3	-0.7	177.9	-65.6	171.5	0	0	0	112.1	Q2558 L2559 S2560 N2564	Q2558-I2562 WeakPolarHBondContact O-CD1 3.34Å; Q2558-I2562 VanDerWaalsContact O-CG1 3.28Å; Q2558-I2562 WeakPolarHBondContact O-CG1 3.42Å; Q2558-I2562 PolarHBondContact O-N 3.45Å; Q2558-I2562 VanDerWaalsContact O-N 3.11Å; L2559-I2562 HydrophobicContact CB-CD1 4.24Å; L2559-I2562 HydrophobicContact CD2-CD1 4.48Å; L2559-I2562 VanDerWaalsContact O-CB 3.25Å; L2559-I2562 WeakPolarHBondContact O-CB 3.45Å; L2559-I2562 VanDerWaalsContact O-CD1 3.26Å; L2559-I2562 WeakPolarHBondContact O-CD1 3.45Å; L2559-I2562 WeakPolarHBondContact O-CG1 3.45Å; L2559-I2562 PolarHBondContact O-N 3.15Å; S2560-I2562 VanDerWaalsContact C-N 3.32Å; S2560-I2562 PolarHBondContact O-N 3.17Å; I2562-N2564 VanDerWaalsContact C-N 3.33Å; I2562-N2564 PolarHBondContact O-N 3.21Å
2563	Q	35.2	Very low	38.8	Very low	165.8 Å²	165.8	122.7 Å²	122.7	78%	0.775	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	58.8	171.5	-85.6	177.3	-31.1	0	0	112.9	L2559 S2561	L2559-Q2563 PolarHBondContact O-N 3.43Å; S2561-Q2563 VanDerWaalsContact C-N 3.3Å
2564	N	33.2	Very low	37.9	Very low	132 Å²	132	126.3 Å²	126.3	71%	0.706	66%	0.661	S	S	*	*			trans	-121.5	65.8	160	-83.8	-59.1	0	0	0	113.1	S2560 I2562	S2560-N2564 PolarHBondContact O-ND2 3.47Å; I2562-N2564 VanDerWaalsContact C-N 3.33Å; I2562-N2564 PolarHBondContact O-N 3.21Å
2565	N	32	Very low	36.9	Very low	144.8 Å²	144.8	127 Å²	127	77%	0.774	67%	0.673	S	S	*	*	S	Bend	trans	-162.2	76	153.2	-101.1	-21.8	0	0	0	113.8
2566	D	33.1	Very low	35.9	Very low	146 Å²	146	129.7 Å²	129.7	78%	0.781	69%	0.689	S	S	*	*			trans	-156.7	85.8	146.7	-93.6	-24.3	0	0	0	112.5
2567	H	33.8	Very low	34.9	Very low	182.6 Å²	182.6	133.1 Å²	133.1	85%	0.845	71%	0.708	S	S	*	*			trans	-163.3	94.1	159.6	-87.2	47.4	0	0	0	111.1
2568	N	31.6	Very low	34.2	Very low	143.2 Å²	143.2	136.6 Å²	136.6	77%	0.766	72%	0.719	S	S	*	*				147.4	98.8	126.4	-113.9	-35.4	0	0	0	114.3
2569	N	31.4	Very low	33.5	Very low	133 Å²	133	136.8 Å²	136.8	71%	0.711	72%	0.724	S	S	*	*			trans	75.6	120.3	150.3	-72.9	-44.1	0	0	0	118.3
2570	H	34.4	Very low	32.9	Very low	157.4 Å²	157.4	137.8 Å²	137.8	73%	0.729	72%	0.724	S	S	*	*				108.1	119.7	118.2	-91.6	-47.8	0	0	0	116.7	K2572	H2570-K2572 PolarHBondContact CD2-NZ 3.3Å; H2570-K2572 VanDerWaalsContact CD2-NZ 3.3Å; H2570-K2572 PolarHBondContact CE1-NZ 2.79Å; H2570-K2572 PolarHBondContact ND1-NZ 2.86Å; H2570-K2572 PolarHBondContact NE2-NZ 2.93Å; H2570-K2572 PolarHBondContact O-N 3.13Å; H2570-K2572 VanDerWaalsContact O-N 3.17Å
2571	D	33.2	Very low	32.4	Very low	124.8 Å²	124.8	143.7 Å²	143.7	67%	0.667	74%	0.736	S	S	*	*				62.2	107.7	112.2	-75.1	-42.8	0	0	0	115.5
2572	K	33.7	Very low	32	Very low	171.4 Å²	171.4	144.4 Å²	144.4	75%	0.745	74%	0.736	S	S	*	*			trans	89.4	128	135.8	-70.9	174.9	-175.9	108.9	0	116.3	H2570	H2570-K2572 PolarHBondContact CD2-NZ 3.3Å; H2570-K2572 VanDerWaalsContact CD2-NZ 3.3Å; H2570-K2572 PolarHBondContact CE1-NZ 2.79Å; H2570-K2572 PolarHBondContact ND1-NZ 2.86Å; H2570-K2572 PolarHBondContact NE2-NZ 2.93Å; H2570-K2572 PolarHBondContact O-N 3.13Å; H2570-K2572 VanDerWaalsContact O-N 3.17Å
2573	N	30.3	Very low	31.6	Very low	145.2 Å²	145.2	146.9 Å²	146.9	78%	0.776	74%	0.743	S	S	*	*			trans	81.5	111.7	144.7	-65.4	-21.2	0	0	0	115.9	S2575	N2573-S2575 PolarHBondContact O-N 3.03Å
2574	I	31.3	Very low	31.5	Very low	157 Å²	157	145.6 Å²	145.6	81%	0.805	74%	0.741	S	S	*	*				-119.7	137.5	120.8	-74.1	172	0	0	0	110	S2576	I2574-S2576 WeakPolarHBondContact CG2-OG 3.35Å
2575	S	30.3	Very low	31.4	Very low	101.8 Å²	101.8	142.6 Å²	142.6	71%	0.712	74%	0.741	S	S	*	*			trans	-73.6	127.5	174.5	57.3	0	0	0	0	115.1	N2573 N2577	N2573-S2575 PolarHBondContact O-N 3.03Å; S2575-N2577 PolarHBondContact O-N 3.4Å
2576	S	29.2	Very low	31.5	Very low	106.4 Å²	106.4	142.8 Å²	142.8	74%	0.744	74%	0.741	S	S	*	*			trans	2.9	117.9	134.2	-8.8	0	0	0	0	113.6	I2574	I2574-S2576 WeakPolarHBondContact CG2-OG 3.35Å
2577	N	31.3	Very low	31.7	Very low	154.2 Å²	154.2	142.6 Å²	142.6	83%	0.825	74%	0.74	S	S	*	*			trans	-149	107.6	150.4	-121.6	-3.8	0	0	0	112	S2575 N2579	S2575-N2577 PolarHBondContact O-N 3.4Å; N2577-N2579 PolarHBondContact O-N 2.9Å
2578	K	30	Very low	32	Very low	157 Å²	157	140.5 Å²	140.5	68%	0.683	74%	0.735	S	S	*	*			trans	16	124.9	133	-109.2	172.6	164.1	180	0	115.1	Y2508 D2509 T2510	Y2508-K2578 HydrophobicContact CD1-CD 3.63Å; Y2508-K2578 HydrophobicContact CD1-CG 4.21Å; Y2508-K2578 HydrophobicContact CE1-CD 3.62Å; Y2508-K2578 HydrophobicContact CE1-CG 3.65Å; D2509-K2578 PolarHBondContact O-NZ 3.46Å; T2510-K2578 PolarHBondContact OG1-NZ 3.39Å
2579	N	32.1	Very low	32.5	Very low	134.6 Å²	134.6	141.9 Å²	141.9	72%	0.72	74%	0.737	S	S	*	*			trans	179.5	124.8	143.8	-76.9	-13.2	0	0	0	111.9	N2577	N2577-N2579 PolarHBondContact O-N 2.9Å
2580	F	28.5	Very low	33	Very low	147.6 Å²	147.6	142.5 Å²	142.5	65%	0.647	74%	0.74	S	S	*	*				85.4	125.1	112.7	-103.8	-66.8	0	0	0	113.1	T2582 T2955 E2956 D2957 D2958	F2580-T2582 HydrophobicContact CD1-CG2 4.23Å; F2580-T2582 HydrophobicContact CE1-CG2 4.29Å; F2580-T2955 WeakPolarHBondContact CA-O 3.17Å; F2580-T2955 PolarHBondContact N-O 3.46Å; F2580-E2956 HydrophobicContact CB-CG 3.67Å; F2580-E2956 HydrophobicContact CD2-CG 4.49Å; F2580-E2956 HydrophobicContact CG-CG 4.18Å; F2580-D2957 HydrophobicContact CD1-CB 4.18Å; F2580-D2957 WeakPolarHBondContact CD1-O 3.47Å; F2580-D2957 WeakPolarHBondContact CD2-O 3.25Å; F2580-D2957 HydrophobicContact CE1-CB 3.58Å; F2580-D2957 WeakPolarHBondContact CE1-O 3.29Å; F2580-D2957 WeakPolarHBondContact CE1-OD2 3.15Å; F2580-D2957 WeakPolarHBondContact CE2-O 3.34Å; F2580-D2957 WeakPolarHBondContact CG-O 3.41Å; F2580-D2957 HydrophobicContact CZ-CB 4.05Å; F2580-D2957 WeakPolarHBondContact CZ-O 2.99Å; F2580-D2958 WeakPolarHBondContact CD2-OD1 3.48Å; F2580-D2958 HydrophobicContact CE2-CB 4.49Å; F2580-D2958 WeakPolarHBondContact CE2-OD1 3.48Å
2581	Y	31.6	Very low	33.5	Very low	199.6 Å²	199.6	142.1 Å²	142.1	78%	0.783	74%	0.743	S	S	*	*			trans	177.1	115.7	163.1	-82.3	-67.5	0	0	0	114.2	L2954 T2955 E2956	Y2581-L2954 VanDerWaalsContact CB-CD2 3.48Å; Y2581-L2954 HydrophobicContact CG-CD2 4.14Å; Y2581-L2954 CarbonylContact O-C 3.29Å; Y2581-L2954 WeakPolarHBondContact O-CA 3.28Å; Y2581-L2954 WeakPolarHBondContact O-CB 3.26Å; Y2581-T2955 PolarHBondContact N-O 3.08Å; Y2581-T2955 CarbonylContact O-C 3.53Å; Y2581-T2955 VanDerWaalsContact O-CA 3.23Å; Y2581-T2955 WeakPolarHBondContact O-CA 3.25Å; Y2581-T2955 PolarHBondContact O-N 2.94Å; Y2581-E2956 WeakPolarHBondContact CD1-OE1 3.33Å; Y2581-E2956 VanDerWaalsContact N-CG 3.34Å; Y2581-E2956 PolarHBondContact O-N 3.38Å
2582	T	29.7	Very low	34	Very low	100.2 Å²	100.2	143.1 Å²	143.1	62%	0.615	75%	0.748	S	S	*	*			trans	-66.4	121.2	154.6	37.8	0	0	0	0	114.5	F2580 L2954 E2956	F2580-T2582 HydrophobicContact CD1-CG2 4.23Å; F2580-T2582 HydrophobicContact CE1-CG2 4.29Å; T2582-L2954 WeakPolarHBondContact O-CD1 3.27Å; T2582-E2956 VanDerWaalsContact CB-OE2 3.25Å; T2582-E2956 WeakPolarHBondContact CB-OE2 3.5Å; T2582-E2956 PolarHBondContact N-OE2 2.76Å; T2582-E2956 WeakPolarHBondContact OG1-CB 3.35Å; T2582-E2956 PolarHBondContact OG1-OE2 3.42Å
2583	F	28.1	Very low	34.5	Very low	180.6 Å²	180.6	141.8 Å²	141.8	79%	0.792	75%	0.75	S	S	*	*			trans	10.3	128.6	144.8	-129.6	-103.1	0	0	0	115	E2952 L2954	F2583-E2952 HydrophobicContact CD2-CB 4.46Å; F2583-E2952 HydrophobicContact CE2-CB 3.91Å; F2583-L2954 HydrophobicContact CB-CB 4.11Å; F2583-L2954 HydrophobicContact CB-CD1 4.35Å; F2583-L2954 HydrophobicContact CD2-CB 3.78Å; F2583-L2954 HydrophobicContact CD2-CD1 3.27Å; F2583-L2954 HydrophobicContact CD2-CG 3.52Å; F2583-L2954 HydrophobicContact CE2-CD1 3.44Å; F2583-L2954 VanDerWaalsContact CE2-CD1 3.44Å; F2583-L2954 HydrophobicContact CE2-CG 3.88Å; F2583-L2954 HydrophobicContact CG-CB 4.35Å; F2583-L2954 HydrophobicContact CG-CD1 3.88Å; F2583-L2954 HydrophobicContact CG-CG 4.39Å; F2583-L2954 HydrophobicContact CZ-CD1 4.21Å
2584	N	32.1	Very low	35.2	Very low	138.6 Å²	138.6	142 Å²	142	74%	0.741	75%	0.751	S	S	*	*			trans	-162	150.1	151.9	-77.2	-5.5	0	0	0	114.7
2585	G	30.9	Very low	35.6	Very low	68.4 Å²	68.4	142.7 Å²	142.7	71%	0.705	75%	0.751	S	S	*	*			trans	152.5	140.5	158.9	0	0	0	0	0	113.1
2586	I	34.5	Very low	36.3	Very low	148.4 Å²	148.4	143.5 Å²	143.5	76%	0.761	75%	0.751	S	S	*	*				119.7	118.6	128.9	-55.9	178.4	0	0	0	110.4	D2588	I2586-D2588 VanDerWaalsContact CG2-OD1 3.25Å; I2586-D2588 WeakPolarHBondContact CG2-OD1 3.45Å
2587	D	37.1	Very low	36.7	Very low	141.8 Å²	141.8	144.4 Å²	144.4	76%	0.758	75%	0.747	S	S	*	*			trans	49.3	138.2	149.3	-53.4	-37.9	0	0	0	113.4	E2589	D2587-E2589 PolarHBondContact O-N 2.88Å
2588	D	40.5	Very low	37.1	Very low	138.6 Å²	138.6	142.7 Å²	142.7	74%	0.741	74%	0.742	S	S	*	*			trans	-168.2	132.4	141.5	-70.8	-37.2	0	0	0	114.2	I2586	I2586-D2588 VanDerWaalsContact CG2-OD1 3.25Å; I2586-D2588 WeakPolarHBondContact CG2-OD1 3.45Å
2589	E	42	Very low	37.3	Very low	173 Å²	173	144.2 Å²	144.2	81%	0.808	74%	0.744	S	S	*	*			trans	20.6	131.1	153.7	-65.7	-179.8	174.4	0	0	116.4	D2587 D2591	D2587-E2589 PolarHBondContact O-N 2.88Å; E2589-D2591 PolarHBondContact O-N 2.95Å
2590	D	42.8	Very low	37.4	Very low	145.4 Å²	145.4	148.1 Å²	148.1	78%	0.778	75%	0.748	S	S	*	*				-140.3	148.6	-51.1	-95.8	-21	0	0	0	108.9
2591	D	43.9	Very low	37.6	Very low	148.8 Å²	148.8	149.8 Å²	149.8	80%	0.796	76%	0.758	S	S	*	*			trans	29.4	125.7	168.2	-78.5	-5.6	0	0	0	115.4	E2589	E2589-D2591 PolarHBondContact O-N 2.95Å
2592	D	44.7	Very low	37.8	Very low	145.6 Å²	145.6	144.6 Å²	144.6	78%	0.779	76%	0.756	S	S	*	*			trans	-174.7	153.1	150.2	-104.6	-20	0	0	0	113.5	D2594	D2592-D2594 VanDerWaalsContact C-N 3.35Å; D2592-D2594 PolarHBondContact O-N 2.76Å; D2592-D2594 VanDerWaalsContact O-N 3.1Å
2593	D	43.3	Very low	38	Very low	145 Å²	145	148.6 Å²	148.6	78%	0.775	77%	0.765	S	S	*	*			trans	51.5	107.8	152.3	-88.6	-20.3	0	0	0	118.1	E2595	D2593-E2595 PolarHBondContact O-N 3.03Å; D2593-E2595 VanDerWaalsContact O-N 3.16Å
2594	D	44.9	Very low	38.4	Very low	148.8 Å²	148.8	145.9 Å²	145.9	80%	0.796	76%	0.763	S	S	*	*			trans	55.1	132.6	145.5	-102.5	-7.1	0	0	0	120.6	D2592 V2596	D2592-D2594 VanDerWaalsContact C-N 3.35Å; D2592-D2594 PolarHBondContact O-N 2.76Å; D2592-D2594 VanDerWaalsContact O-N 3.1Å; D2594-V2596 PolarHBondContact O-N 3.22Å
2595	E	40.8	Very low	38.5	Very low	172.8 Å²	172.8	145 Å²	145	81%	0.807	76%	0.759	S	S	*	*			trans	-119.7	126.7	-158.1	-141.9	-157.5	177.1	0	0	114	D2593 D2597	D2593-E2595 PolarHBondContact O-N 3.03Å; D2593-E2595 VanDerWaalsContact O-N 3.16Å; E2595-D2597 PolarHBondContact O-N 3.49Å
2596	V	43.7	Very low	38.7	Very low	118.8 Å²	118.8	149.6 Å²	149.6	72%	0.72	76%	0.761	S	S	*	*			trans	-145	122.1	143.8	-146.2	0	0	0	0	116.6	D2594 V2598	D2594-V2596 PolarHBondContact O-N 3.22Å; V2596-V2598 HydrophobicContact CB-CG2 3.83Å; V2596-V2598 HydrophobicContact CG2-CG2 4.11Å; V2596-V2598 PolarHBondContact O-N 3.18Å
2597	D	37.3	Very low	38.6	Very low	124.6 Å²	124.6	149.8 Å²	149.8	67%	0.666	76%	0.764	S	S	*	*			trans	-90.5	113.5	159.3	-138.7	-7.4	0	0	0	113.7	E2595 R2599	E2595-D2597 PolarHBondContact O-N 3.49Å; D2597-R2599 PolarHBondContact O-N 2.85Å; D2597-R2599 VanDerWaalsContact O-N 3.12Å; D2597-R2599 PolarHBondContact OD1-N 2.99Å; D2597-R2599 IonicContact OD2-NH2 3.83Å; D2597-R2599 PolarHBondContact OD2-NH2 3.05Å
2598	V	41.4	Very low	38.4	Very low	117.8 Å²	117.8	145.9 Å²	145.9	71%	0.714	76%	0.757	S	S	*	*				-145.4	110.4	113.2	172.9	0	0	0	0	112.8	V2596 R2600	V2596-V2598 HydrophobicContact CB-CG2 3.83Å; V2596-V2598 HydrophobicContact CG2-CG2 4.11Å; V2596-V2598 PolarHBondContact O-N 3.18Å; V2598-R2600 HydrophobicContact CB-CG 4.43Å; V2598-R2600 HydrophobicContact CG1-CG 3.71Å; V2598-R2600 PolarHBondContact O-N 3.14Å
2599	R	32.4	Very low	37.9	Very low	188.8 Å²	188.8	145.7 Å²	145.7	71%	0.712	76%	0.761	S	S	*	*			trans	-15.7	113.2	158.8	-105.6	179.3	-128.7	177.1	4.4	117.4	D2597 H2601	D2597-R2599 PolarHBondContact O-N 2.85Å; D2597-R2599 VanDerWaalsContact O-N 3.12Å; D2597-R2599 PolarHBondContact OD1-N 2.99Å; D2597-R2599 IonicContact OD2-NH2 3.83Å; D2597-R2599 PolarHBondContact OD2-NH2 3.05Å; R2599-H2601 PolarHBondContact O-N 2.92Å
2600	R	34	Very low	37.4	Very low	216 Å²	216	141.4 Å²	141.4	82%	0.815	75%	0.751	S	S	*	*			trans	153.5	118.3	143	-76.1	175.2	-175.2	166.8	1.6	114.2	V2598 A2602	V2598-R2600 HydrophobicContact CB-CG 4.43Å; V2598-R2600 HydrophobicContact CG1-CG 3.71Å; V2598-R2600 PolarHBondContact O-N 3.14Å; R2600-A2602 PolarHBondContact O-N 2.92Å
2601	H	34.4	Very low	37.1	Very low	183.6 Å²	183.6	142.9 Å²	142.9	85%	0.85	75%	0.752	S	S	*	*			trans	-105	105.7	143.7	-69.6	-76.5	0	0	0	111.9	R2599 K2603	R2599-H2601 PolarHBondContact O-N 2.92Å; H2601-K2603 PolarHBondContact O-N 3.27Å
2602	A	34.1	Very low	36.6	Very low	91 Å²	91	143.8 Å²	143.8	75%	0.752	75%	0.752	S	S	*	*			trans	-108.5	121	153.8	0	0	0	0	0	110.3	R2600 V2604	R2600-A2602 PolarHBondContact O-N 2.92Å; A2602-V2604 PolarHBondContact O-N 3.09Å
2603	K	35.5	Very low	36	Very low	184.2 Å²	184.2	142.6 Å²	142.6	80%	0.801	75%	0.745	S	S	*	*			trans	-76.6	105.7	151.1	-88.9	177.6	179.9	-174.6	0	110.7	H2601 N2605	H2601-K2603 PolarHBondContact O-N 3.27Å; K2603-N2605 PolarHBondContact O-N 3.2Å
2604	V	35.8	Very low	35.8	Very low	123.2 Å²	123.2	140.9 Å²	140.9	75%	0.747	74%	0.742	S	S	*	*			trans	-49	121.6	145.4	179.9	0	0	0	0	110.8	A2602 E2606	A2602-V2604 PolarHBondContact O-N 3.09Å; V2604-E2606 HydrophobicContact CG1-CG 4.4Å; V2604-E2606 PolarHBondContact O-N 3.11Å; V2604-E2606 VanDerWaalsContact O-N 3.11Å
2605	N	33.3	Very low	35.5	Very low	121.2 Å²	121.2	140.5 Å²	140.5	65%	0.648	74%	0.739	S	S	*	*			trans	-105.7	95.8	163.9	169.1	-5	0	0	0	110.4	K2603 N2607	K2603-N2605 PolarHBondContact O-N 3.2Å; N2605-N2607 PolarHBondContact O-N 3.41Å; N2605-N2607 WeakPolarHBondContact OD1-CB 3.43Å; N2605-N2607 PolarHBondContact OD1-N 3.08Å; N2605-N2607 PolarHBondContact OD1-ND2 3.03Å; N2605-N2607 PolarHBondContact OD1-OD1 3.09Å
2606	E	36.2	Very low	35.3	Very low	163.8 Å²	163.8	142.5 Å²	142.5	77%	0.765	74%	0.74	S	S	*	*			trans	-101.6	78.3	174.7	-66.8	-167.4	166.7	0	0	111.7	V2604 G2608	V2604-E2606 HydrophobicContact CG1-CG 4.4Å; V2604-E2606 PolarHBondContact O-N 3.11Å; V2604-E2606 VanDerWaalsContact O-N 3.11Å; E2606-G2608 PolarHBondContact O-N 3.05Å
2607	N	31.6	Very low	35.2	Very low	153.6 Å²	153.6	141.8 Å²	141.8	82%	0.821	74%	0.737	S	S	*	*			trans	-83.5	81.3	169.2	-82.9	-10.5	0	0	0	110.5	N2605 T2609	N2605-N2607 PolarHBondContact O-N 3.41Å; N2605-N2607 WeakPolarHBondContact OD1-CB 3.43Å; N2605-N2607 PolarHBondContact OD1-N 3.08Å; N2605-N2607 PolarHBondContact OD1-ND2 3.03Å; N2605-N2607 PolarHBondContact OD1-OD1 3.09Å; N2607-T2609 PolarHBondContact O-N 2.9Å; N2607-T2609 VanDerWaalsContact O-N 3.12Å
2608	G	32.4	Very low	35.4	Very low	59.2 Å²	59.2	142.4 Å²	142.4	61%	0.61	74%	0.74	S	S	*	*			trans	-109	93.1	177.1	0	0	0	0	0	113.6	E2606 S2610	E2606-G2608 PolarHBondContact O-N 3.05Å; G2608-S2610 PolarHBondContact O-N 3.26Å
2609	T	31.7	Very low	35.4	Very low	134.6 Å²	134.6	143.3 Å²	143.3	83%	0.826	74%	0.741	S	S	*	*			trans	-99.5	96	177.6	36.5	0	0	0	0	112.4	N2607 H2611	N2607-T2609 PolarHBondContact O-N 2.9Å; N2607-T2609 VanDerWaalsContact O-N 3.12Å; T2609-H2611 PolarHBondContact O-N 3.16Å
2610	S	31.5	Very low	36	Very low	83.2 Å²	83.2	142.4 Å²	142.4	58%	0.582	75%	0.745	S	S	*	*			trans	-146.3	104.8	165.7	150.3	0	0	0	0	115.2	G2608 H2612	G2608-S2610 PolarHBondContact O-N 3.26Å; S2610-H2612 PolarHBondContact O-N 3.2Å; S2610-H2612 PolarHBondContact OG-CD2 3.23Å; S2610-H2612 PolarHBondContact OG-NE2 3.39Å
2611	H	35.1	Very low	36.2	Very low	175.4 Å²	175.4	141.2 Å²	141.2	81%	0.812	74%	0.741	S	S	*	*			trans	-41.9	98	167.5	-61.8	-69.8	0	0	0	114.6	T2609 N2613	T2609-H2611 PolarHBondContact O-N 3.16Å; H2611-N2613 VanDerWaalsContact C-N 3.25Å; H2611-N2613 PolarHBondContact O-N 3.43Å
2612	H	34.4	Very low	36.7	Very low	169 Å²	169	140.4 Å²	140.4	78%	0.782	74%	0.738	S	S	*	*			trans	-94.8	112.4	158.5	-79.1	-70	0	0	0	110.4	S2610 P2614	S2610-H2612 PolarHBondContact O-N 3.2Å; S2610-H2612 PolarHBondContact OG-CD2 3.23Å; S2610-H2612 PolarHBondContact OG-NE2 3.39Å; H2612-P2614 WeakPolarHBondContact O-CD 3.29Å; H2612-P2614 VanDerWaalsContact O-N 3.16Å
2613	N	32.6	Very low	36.8	Very low	120.6 Å²	120.6	141 Å²	141	65%	0.645	74%	0.737	S	S	*	*			trans	-34	110.4	133.4	-161.3	30.6	0	0	0	111.8	H2611 L2615 Y2616	H2611-N2613 VanDerWaalsContact C-N 3.25Å; H2611-N2613 PolarHBondContact O-N 3.43Å; N2613-L2615 VanDerWaalsContact C-N 3.3Å; N2613-L2615 PolarHBondContact O-N 3.02Å; N2613-L2615 VanDerWaalsContact O-N 3.09Å; N2613-Y2616 PolarHBondContact O-N 2.89Å
2614	P	39	Very low	36.8	Very low	109.4 Å²	109.4	138.9 Å²	138.9	71%	0.71	73%	0.731	S	S	*	*			trans	-90.9	83.4	-177.7	33.9	-31.6	0	0	0	113.1	H2612 Y2616	H2612-P2614 WeakPolarHBondContact O-CD 3.29Å; H2612-P2614 VanDerWaalsContact O-N 3.16Å; P2614-Y2616 VanDerWaalsContact C-N 3.27Å
2615	L	38.4	Very low	37.2	Very low	138.8 Å²	138.8	136.8 Å²	136.8	73%	0.727	73%	0.727	S	S	*	*			trans	-134.9	65.2	169.5	-86.8	173.1	0	0	0	114	N2613 T2617	N2613-L2615 VanDerWaalsContact C-N 3.3Å; N2613-L2615 PolarHBondContact O-N 3.02Å; N2613-L2615 VanDerWaalsContact O-N 3.09Å; L2615-T2617 HydrophobicContact CD2-CG2 4Å
2616	Y	36.8	Very low	37.4	Very low	215 Å²	215	139.4 Å²	139.4	84%	0.843	74%	0.736	S	S	*	*			trans	-157.8	101.5	158.4	-88.4	-78.6	0	0	0	109.3	N2613 P2614	N2613-Y2616 PolarHBondContact O-N 2.89Å; P2614-Y2616 VanDerWaalsContact C-N 3.27Å
2617	T	41.3	Very low	37.5	Very low	105.4 Å²	105.4	136 Å²	136	65%	0.647	73%	0.73	S	S	*	*			trans	-105.1	113.4	151.4	55.8	0	0	0	0	109.2	L2615 N2619	L2615-T2617 HydrophobicContact CD2-CG2 4Å; T2617-N2619 VanDerWaalsContact C-N 3.26Å; T2617-N2619 WeakPolarHBondContact CB-ND2 3.46Å; T2617-N2619 PolarHBondContact O-N 3.03Å; T2617-N2619 VanDerWaalsContact O-N 3.17Å; T2617-N2619 PolarHBondContact OG1-ND2 2.88Å
2618	D	40.9	Very low	37.7	Very low	137.2 Å²	137.2	136.5 Å²	136.5	73%	0.734	73%	0.727	S	S	*	*			trans	-97.8	36.8	172.6	7	-25	0	0	0	114	E2620 Y2621	D2618-E2620 PolarHBondContact O-N 2.93Å; D2618-Y2621 PolarHBondContact O-N 3.06Å
2619	N	42.6	Very low	37.8	Very low	135.2 Å²	135.2	138 Å²	138	72%	0.723	73%	0.728	S	S	*	*			trans	-55	47	170.2	-68.5	-12	0	0	0	113.9	T2617 Y2621 S2623	T2617-N2619 VanDerWaalsContact C-N 3.26Å; T2617-N2619 WeakPolarHBondContact CB-ND2 3.46Å; T2617-N2619 PolarHBondContact O-N 3.03Å; T2617-N2619 VanDerWaalsContact O-N 3.17Å; T2617-N2619 PolarHBondContact OG1-ND2 2.88Å; N2619-Y2621 VanDerWaalsContact C-N 3.34Å; N2619-Y2621 PolarHBondContact O-N 3.15Å; N2619-S2623 WeakPolarHBondContact O-CB 3.49Å; N2619-S2623 PolarHBondContact O-N 3.15Å; N2619-S2623 PolarHBondContact O-OG 2.89Å
2620	E	43.4	Very low	37.8	Very low	170.6 Å²	170.6	138.8 Å²	138.8	80%	0.797	73%	0.727	S	S	*	*			trans	-105.5	28.7	157.8	-74.9	-172.8	178.5	0	0	113.8	D2618 S2623 M2624	D2618-E2620 PolarHBondContact O-N 2.93Å; E2620-S2623 PolarHBondContact O-OG 3.34Å; E2620-M2624 WeakPolarHBondContact O-CE 3.27Å; E2620-M2624 PolarHBondContact O-N 3.5Å
2621	Y	39.2	Very low	37.9	Very low	190.6 Å²	190.6	142.3 Å²	142.3	75%	0.747	74%	0.739	S	S	*	*	H	α-helix	trans	-118	4.2	174.3	-127.3	-83.8	0	0	0	115.6	D2618 N2619 S2623 M2624	D2618-Y2621 PolarHBondContact O-N 3.06Å; N2619-Y2621 VanDerWaalsContact C-N 3.34Å; N2619-Y2621 PolarHBondContact O-N 3.15Å; Y2621-S2623 VanDerWaalsContact C-N 3.3Å; Y2621-S2623 PolarHBondContact O-N 3.14Å; Y2621-M2624 HydrophobicContact CD2-CE 4.04Å; Y2621-M2624 HydrophobicContact CE1-CB 4.32Å; Y2621-M2624 HydrophobicContact CE1-CE 3.7Å; Y2621-M2624 HydrophobicContact CE2-CE 4.12Å; Y2621-M2624 HydrophobicContact CG-CE 4.3Å; Y2621-M2624 PolarHBondContact O-N 2.9Å; Y2621-M2624 VanDerWaalsContact OH-CE 3.25Å; Y2621-M2624 WeakPolarHBondContact OH-CE 3.36Å
2622	E	44	Very low	37.9	Very low	168.2 Å²	168.2	138.5 Å²	138.5	79%	0.786	73%	0.732	S	S	*	*	S	Bend	trans	-98.4	-14.5	172.5	-137.2	133.1	-144.7	0	0	112.2	M2624 A2625 E2626	E2622-M2624 VanDerWaalsContact C-N 3.32Å; E2622-M2624 PolarHBondContact O-N 3.12Å; E2622-A2625 WeakPolarHBondContact O-CA 3.47Å; E2622-A2625 WeakPolarHBondContact O-CB 3.32Å; E2622-A2625 PolarHBondContact O-N 3.17Å; E2622-E2626 PolarHBondContact O-N 2.9Å
2623	S	36.8	Very low	38	Very low	102.8 Å²	102.8	137.2 Å²	137.2	72%	0.719	73%	0.731	S	S	*	*	H	α-helix	trans	-64.9	9.8	-178.7	-33.2	0	0	0	0	115.3	N2619 E2620 Y2621 A2625 S2627	N2619-S2623 WeakPolarHBondContact O-CB 3.49Å; N2619-S2623 PolarHBondContact O-N 3.15Å; N2619-S2623 PolarHBondContact O-OG 2.89Å; E2620-S2623 PolarHBondContact O-OG 3.34Å; Y2621-S2623 VanDerWaalsContact C-N 3.3Å; Y2621-S2623 PolarHBondContact O-N 3.14Å; S2623-A2625 VanDerWaalsContact C-N 3.31Å; S2623-S2627 PolarHBondContact O-N 3.03Å; S2623-S2627 PolarHBondContact O-OG 2.78Å
2624	M	36.6	Very low	38.1	Very low	139.8 Å²	139.8	137.4 Å²	137.4	69%	0.689	74%	0.736	S	S	*	*	H	α-helix	trans	-112.7	-0.6	168.6	-77.7	-157.7	-66.1	0	0	113.6	E2620 Y2621 E2622 E2626 S2627	E2620-M2624 WeakPolarHBondContact O-CE 3.27Å; E2620-M2624 PolarHBondContact O-N 3.5Å; Y2621-M2624 HydrophobicContact CD2-CE 4.04Å; Y2621-M2624 HydrophobicContact CE1-CB 4.32Å; Y2621-M2624 HydrophobicContact CE1-CE 3.7Å; Y2621-M2624 HydrophobicContact CE2-CE 4.12Å; Y2621-M2624 HydrophobicContact CG-CE 4.3Å; Y2621-M2624 PolarHBondContact O-N 2.9Å; Y2621-M2624 VanDerWaalsContact OH-CE 3.25Å; Y2621-M2624 WeakPolarHBondContact OH-CE 3.36Å; E2622-M2624 VanDerWaalsContact C-N 3.32Å; E2622-M2624 PolarHBondContact O-N 3.12Å; M2624-E2626 VanDerWaalsContact C-N 3.33Å; M2624-E2626 PolarHBondContact O-N 3.2Å; M2624-S2627 WeakPolarHBondContact CA-OG 3.47Å; M2624-S2627 PolarHBondContact O-OG 3.02Å
2625	A	43.9	Very low	37.9	Very low	80.2 Å²	80.2	137.5 Å²	137.5	66%	0.663	74%	0.735	S	S	*	*	H	α-helix	trans	-64.6	-32.1	179.1	0	0	0	0	0	113.4	E2622 S2623 S2627 Q2628	E2622-A2625 WeakPolarHBondContact O-CA 3.47Å; E2622-A2625 WeakPolarHBondContact O-CB 3.32Å; E2622-A2625 PolarHBondContact O-N 3.17Å; S2623-A2625 VanDerWaalsContact C-N 3.31Å; A2625-S2627 VanDerWaalsContact C-N 3.29Å; A2625-S2627 PolarHBondContact O-N 3.3Å; A2625-Q2628 PolarHBondContact O-N 3.36Å
2626	E	37.4	Very low	37.6	Very low	175 Å²	175	137.3 Å²	137.3	82%	0.818	73%	0.734	S	S	*	*	H	α-helix	trans	-74.8	40.6	179.8	-79.5	-171.8	176.4	0	0	113.9	E2622 M2624 Q2628 S2629	E2622-E2626 PolarHBondContact O-N 2.9Å; M2624-E2626 VanDerWaalsContact C-N 3.33Å; M2624-E2626 PolarHBondContact O-N 3.2Å; E2626-Q2628 PolarHBondContact O-N 3.38Å; E2626-S2629 VanDerWaalsContact O-CB 3.3Å; E2626-S2629 WeakPolarHBondContact O-CB 3.44Å; E2626-S2629 PolarHBondContact O-N 3.21Å; E2626-S2629 PolarHBondContact O-OG 3.14Å
2627	S	37.2	Very low	37.4	Very low	92.2 Å²	92.2	133.4 Å²	133.4	65%	0.645	73%	0.728	S	S	*	*			trans	-112	75.6	168.8	58.7	0	0	0	0	114.9	S2623 M2624 A2625 S2629	S2623-S2627 PolarHBondContact O-N 3.03Å; S2623-S2627 PolarHBondContact O-OG 2.78Å; M2624-S2627 WeakPolarHBondContact CA-OG 3.47Å; M2624-S2627 PolarHBondContact O-OG 3.02Å; A2625-S2627 VanDerWaalsContact C-N 3.29Å; A2625-S2627 PolarHBondContact O-N 3.3Å; S2627-S2629 VanDerWaalsContact C-N 3.25Å; S2627-S2629 PolarHBondContact O-N 3.09Å
2628	Q	36.6	Very low	36.9	Very low	164.8 Å²	164.8	133.6 Å²	133.6	77%	0.77	73%	0.734	S	S	*	*			trans	93.4	47.2	163.1	-62.4	-135.5	4.7	0	0	115.4	A2625 E2626 N2630	A2625-Q2628 PolarHBondContact O-N 3.36Å; E2626-Q2628 PolarHBondContact O-N 3.38Å; Q2628-N2630 PolarHBondContact O-N 2.86Å
2629	S	34.2	Very low	36.5	Very low	90.6 Å²	90.6	130.4 Å²	130.4	63%	0.634	73%	0.733	S	S	*	*			trans	-114.7	50.1	159.2	60.9	0	0	0	0	113.2	E2626 S2627 L2631 S2632	E2626-S2629 VanDerWaalsContact O-CB 3.3Å; E2626-S2629 WeakPolarHBondContact O-CB 3.44Å; E2626-S2629 PolarHBondContact O-N 3.21Å; E2626-S2629 PolarHBondContact O-OG 3.14Å; S2627-S2629 VanDerWaalsContact C-N 3.25Å; S2627-S2629 PolarHBondContact O-N 3.09Å; S2629-L2631 VanDerWaalsContact C-N 3.35Å; S2629-L2631 PolarHBondContact O-N 3.45Å; S2629-L2631 VanDerWaalsContact O-N 3.09Å; S2629-S2632 PolarHBondContact O-N 3.36Å; S2629-S2632 PolarHBondContact O-OG 2.95Å
2630	N	32.2	Very low	36.1	Very low	150.6 Å²	150.6	130.9 Å²	130.9	81%	0.805	73%	0.734	S	S	*	*			trans	-61.8	50.2	160.1	-81.4	-26.4	0	0	0	115.3	Q2628 S2632	Q2628-N2630 PolarHBondContact O-N 2.86Å; N2630-S2632 VanDerWaalsContact C-N 3.31Å; N2630-S2632 PolarHBondContact O-N 3.42Å
2631	L	32.5	Very low	35.5	Very low	156.8 Å²	156.8	129.5 Å²	129.5	82%	0.821	73%	0.731	S	S	*	*			trans	-92.5	76.6	163.6	-83.9	156.2	0	0	0	110.4	S2629	S2629-L2631 VanDerWaalsContact C-N 3.35Å; S2629-L2631 PolarHBondContact O-N 3.45Å; S2629-L2631 VanDerWaalsContact O-N 3.09Å
2632	S	35.7	Very low	35.2	Very low	95.6 Å²	95.6	129.1 Å²	129.1	67%	0.669	73%	0.733	S	S	*	*			trans	-67.1	55.1	151.6	-53.2	0	0	0	0	113.3	S2629 N2630	S2629-S2632 PolarHBondContact O-N 3.36Å; S2629-S2632 PolarHBondContact O-OG 2.95Å; N2630-S2632 VanDerWaalsContact C-N 3.31Å; N2630-S2632 PolarHBondContact O-N 3.42Å
2633	D	36.3	Very low	34.6	Very low	142.6 Å²	142.6	128.2 Å²	128.2	76%	0.763	73%	0.733	S	S	*	*	S	Bend	trans	-109.1	111.5	157.6	-125.2	-14.8	0	0	0	112.3	V2635	D2633-V2635 VanDerWaalsContact C-N 3.3Å; D2633-V2635 PolarHBondContact O-N 3.18Å
2634	V	34.1	Very low	34.3	Very low	123.6 Å²	123.6	127.6 Å²	127.6	75%	0.749	74%	0.735	S	S	*	*			trans	-106.4	73.5	176.6	-169.5	0	0	0	0	110.6	N2636	V2634-N2636 VanDerWaalsContact C-N 3.26Å; V2634-N2636 PolarHBondContact O-N 2.84Å
2635	V	35	Very low	34	Very low	112 Å²	112	127.1 Å²	127.1	68%	0.679	74%	0.735	S	S	*	*			trans	-122.8	95.1	162.7	176.6	0	0	0	0	111.3	D2633 N2637 K3264	D2633-V2635 VanDerWaalsContact C-N 3.3Å; D2633-V2635 PolarHBondContact O-N 3.18Å; V2635-N2637 PolarHBondContact O-N 2.84Å; V2635-K3264 WeakPolarHBondContact CG2-O 3.39Å
2636	N	33	Very low	33.4	Very low	134.4 Å²	134.4	134.2 Å²	134.2	72%	0.719	74%	0.744	S	S	*	*			trans	-106.8	137	155.6	-86	-37.4	0	0	0	116	V2634	V2634-N2636 VanDerWaalsContact C-N 3.26Å; V2634-N2636 PolarHBondContact O-N 2.84Å
2637	N	32.9	Very low	33	Very low	133.6 Å²	133.6	132.8 Å²	132.8	71%	0.714	74%	0.743	S	S	*	*			trans	-106.7	108.6	148.6	-56.7	-76.5	0	0	0	116	V2635 G2639 T3062 T3063 P3064	V2635-N2637 PolarHBondContact O-N 2.84Å; N2637-G2639 PolarHBondContact O-N 3.06Å; N2637-G2639 VanDerWaalsContact O-N 3.15Å; N2637-T3062 WeakPolarHBondContact OD1-CA 3.03Å; N2637-T3063 HydrophobicContact CB-CG2 3.95Å; N2637-T3063 VanDerWaalsContact CG-N 3.33Å; N2637-T3063 PolarHBondContact OD1-N 2.87Å; N2637-P3064 HydrophobicContact CB-CG 3.98Å; N2637-P3064 WeakPolarHBondContact ND2-CD 3.31Å; N2637-P3064 VanDerWaalsContact ND2-CG 3.32Å; N2637-P3064 WeakPolarHBondContact ND2-CG 3.38Å; N2637-P3064 WeakPolarHBondContact O-CG 3.1Å
2638	S	31.3	Very low	32.7	Very low	109 Å²	109	133.9 Å²	133.9	76%	0.762	75%	0.75	S	S	*	*			trans	-113.5	110.5	159.1	57.6	0	0	0	0	113.7	I2640	S2638-I2640 PolarHBondContact O-N 2.97Å
2639	G	32.2	Very low	32.4	Very low	69.8 Å²	69.8	137.4 Å²	137.4	72%	0.72	76%	0.756	S	S	*	*			trans	-122.1	105.4	175.6	0	0	0	0	0	115.5	N2637 I2641	N2637-G2639 PolarHBondContact O-N 3.06Å; N2637-G2639 VanDerWaalsContact O-N 3.15Å; G2639-I2641 PolarHBondContact O-N 2.66Å
2640	I	34.4	Very low	32.3	Very low	146.8 Å²	146.8	138.4 Å²	138.4	75%	0.753	76%	0.761	S	S	*	*			trans	69.7	102.6	145.6	-68.4	178.4	0	0	0	115.2	S2638 K2642	S2638-I2640 PolarHBondContact O-N 2.97Å; I2640-K2642 HydrophobicContact CG2-CB 4.32Å; I2640-K2642 HydrophobicContact CG2-CD 4.31Å; I2640-K2642 HydrophobicContact CG2-CG 4.1Å; I2640-K2642 PolarHBondContact O-N 3.36Å
2641	I	30.4	Very low	32.3	Very low	141 Å²	141	134.4 Å²	134.4	72%	0.723	75%	0.754	S	S	*	*			trans	23.2	114.8	147.6	-44.8	168.4	0	0	0	116.6	G2639 N2643	G2639-I2641 PolarHBondContact O-N 2.66Å; I2641-N2643 HydrophobicContact CG2-CB 4.02Å
2642	K	32.8	Very low	32.2	Very low	181.6 Å²	181.6	133.7 Å²	133.7	79%	0.79	75%	0.751	S	S	*	*			trans	-170.4	102.2	135.7	-83.2	170.5	-174.1	168.1	0	116.2	I2640 A2644	I2640-K2642 HydrophobicContact CG2-CB 4.32Å; I2640-K2642 HydrophobicContact CG2-CD 4.31Å; I2640-K2642 HydrophobicContact CG2-CG 4.1Å; I2640-K2642 PolarHBondContact O-N 3.36Å; K2642-A2644 PolarHBondContact O-N 2.89Å; K2642-A2644 VanDerWaalsContact O-N 3.09Å
2643	N	30.7	Very low	31.9	Very low	149.8 Å²	149.8	137.8 Å²	137.8	80%	0.801	76%	0.757	S	S	*	*			trans	43.6	114.2	141.8	-65.2	-8.6	0	0	0	118.6	I2641	I2641-N2643 HydrophobicContact CG2-CB 4.02Å
2644	A	31.3	Very low	31.6	Very low	90.8 Å²	90.8	134.8 Å²	134.8	75%	0.75	75%	0.752	S	S	*	*				156.7	106.8	119.6	0	0	0	0	0	114.1	K2642	K2642-A2644 PolarHBondContact O-N 2.89Å; K2642-A2644 VanDerWaalsContact O-N 3.09Å
2645	N	29.4	Very low	31.4	Very low	128.8 Å²	128.8	134.4 Å²	134.4	69%	0.689	75%	0.75	S	S	*	*				-99.2	120.7	126.8	-140.1	-15.8	0	0	0	114.2	N2647	N2645-N2647 PolarHBondContact OD1-ND2 3.46Å
2646	R	31.3	Very low	31.1	Very low	228.4 Å²	228.4	133.7 Å²	133.7	86%	0.862	75%	0.751	S	S	*	*				-140.4	123.4	122	-86.8	174.3	-171.1	-168.2	0.2	111.6	S2648	R2646-S2648 PolarHBondContact O-N 3.27Å
2647	N	30.6	Very low	31	Very low	147 Å²	147	131.7 Å²	131.7	79%	0.786	75%	0.747	S	S	*	*			trans	-68.5	140.7	167.6	-72.8	-31.7	0	0	0	112.9	N2645	N2645-N2647 PolarHBondContact OD1-ND2 3.46Å
2648	S	29.7	Very low	31	Very low	113.4 Å²	113.4	133.3 Å²	133.3	79%	0.793	75%	0.75	S	S	*	*			trans	-121.4	138.8	142.7	36.5	0	0	0	0	111.3	R2646 P2650	R2646-S2648 PolarHBondContact O-N 3.27Å; S2648-P2650 WeakPolarHBondContact O-CD 3.16Å
2649	R	29.4	Very low	31.1	Very low	239.8 Å²	239.8	135.4 Å²	135.4	91%	0.905	75%	0.751	S	S	*	*			trans	-143.4	132.9	164.8	-158.7	-174.4	174.1	-151.1	-1.7	109.4	G2651	R2649-G2651 PolarHBondContact O-N 3.18Å
2650	P	34.1	Very low	31.2	Very low	111.2 Å²	111.2	137 Å²	137	72%	0.722	74%	0.743	S	S	*	*			trans	-94.5	152.4	-162	34.7	-28.9	0	0	0	112.5	S2648 T2955	S2648-P2650 WeakPolarHBondContact O-CD 3.16Å; P2650-T2955 HydrophobicContact CG-CG2 3.59Å
2651	G	31.4	Very low	31.3	Very low	65.4 Å²	65.4	135.6 Å²	135.6	67%	0.674	74%	0.744	S	S	*	*			trans	-149.8	133.4	160.7	0	0	0	0	0	110.9	R2649 F2653 E2953	R2649-G2651 PolarHBondContact O-N 3.18Å; G2651-F2653 PolarHBondContact O-N 3.13Å; G2651-E2953 WeakPolarHBondContact CA-OE1 3.16Å; G2651-E2953 PolarHBondContact N-OE1 3.01Å
2652	L	30.2	Very low	31.4	Very low	143.4 Å²	143.4	138.2 Å²	138.2	75%	0.751	75%	0.745	S	S	*	*			cis	-118.6	119.9	46	-97.2	153.7	0	0	0	110.3	E2953	L2652-E2953 HydrophobicContact CB-CB 4.11Å; L2652-E2953 VanDerWaalsContact CB-CD 3.45Å; L2652-E2953 HydrophobicContact CB-CG 3.98Å; L2652-E2953 WeakPolarHBondContact CB-OE2 3.31Å; L2652-E2953 HydrophobicContact CD1-CB 4Å; L2652-E2953 HydrophobicContact CD1-CG 4.2Å; L2652-E2953 PolarHBondContact N-OE1 3.23Å; L2652-E2953 PolarHBondContact N-OE2 2.9Å; L2652-E2953 VanDerWaalsContact N-OE2 3.13Å
2653	F	29.7	Very low	31.7	Very low	180.6 Å²	180.6	136.1 Å²	136.1	79%	0.792	74%	0.742	S	S	*	*			trans	-153.4	137.5	147.4	-74.8	-66.3	0	0	0	114.2	G2651 G2951 E2953 M3096	G2651-F2653 PolarHBondContact O-N 3.13Å; F2653-G2951 WeakPolarHBondContact CE2-O 3.06Å; F2653-G2951 WeakPolarHBondContact CZ-O 3.48Å; F2653-E2953 HydrophobicContact CD2-CB 3.97Å; F2653-E2953 HydrophobicContact CE2-CB 3.94Å; F2653-M3096 HydrophobicContact CD1-CE 4.2Å; F2653-M3096 HydrophobicContact CD1-SD 4.25Å
2654	A	29.5	Very low	31.7	Very low	80.6 Å²	80.6	138 Å²	138	67%	0.666	74%	0.738	S	S	*	*				-127.2	148.3	128.1	0	0	0	0	0	112.7	N3093	A2654-N3093 PolarHBondContact O-ND2 3.03Å
2655	T	30.4	Very low	31.7	Very low	115.6 Å²	115.6	142.2 Å²	142.2	71%	0.709	74%	0.739	S	S	*	*			trans	176.2	136.6	136.7	47.3	0	0	0	0	115.6	R3094 Q3095 M3096	T2655-R3094 WeakPolarHBondContact CA-O 3.35Å; T2655-R3094 PolarHBondContact N-O 3.35Å; T2655-Q3095 HydrophobicContact CG2-CB 4.45Å; T2655-Q3095 HydrophobicContact CG2-CG 3.95Å; T2655-M3096 HydrophobicContact CG2-CB 4.31Å; T2655-M3096 HydrophobicContact CG2-CE 3.81Å; T2655-M3096 HydrophobicContact CG2-CG 3.63Å; T2655-M3096 VanDerWaalsContact CG2-N 3.31Å; T2655-M3096 HydrophobicContact CG2-SD 3.57Å; T2655-M3096 VanDerWaalsContact CG2-SD 3.57Å
2656	S	29	Very low	31.8	Very low	97.2 Å²	97.2	141.5 Å²	141.5	68%	0.68	74%	0.74	S	S	*	*			trans	-143.1	138.8	149.4	-60.7	0	0	0	0	115.3	D2944	S2656-D2944 PolarHBondContact OG-OD2 2.92Å
2657	S	30.7	Very low	31.7	Very low	91.8 Å²	91.8	140.4 Å²	140.4	64%	0.642	74%	0.737	S	S	*	*			trans	79.3	124	155.5	80	0	0	0	0	117.3
2658	Q	33.1	Very low	31.6	Very low	168.2 Å²	168.2	141 Å²	141	79%	0.786	74%	0.735	S	S	*	*			trans	61.4	110.3	144.6	-72.1	179.6	-28.5	0	0	115.2
2659	I	32.5	Very low	31.7	Very low	153 Å²	153	140.3 Å²	140.3	79%	0.785	73%	0.726	S	S	*	*			trans	-139.5	139.4	147	-92.5	137	0	0	0	108.2
2660	D	35.7	Very low	31.9	Very low	101.6 Å²	101.6	134.6 Å²	134.6	54%	0.543	72%	0.721	S	S	.	*			trans	-70.8	138.4	-177.6	-156.9	-42.6	0	0	0	112	R2662 D2663	D2660-R2662 PolarHBondContact O-N 3.1Å; D2660-R2662 VanDerWaalsContact O-N 3.1Å; D2660-R2662 VanDerWaalsContact OD1-CB 3.3Å; D2660-R2662 WeakPolarHBondContact OD1-CB 3.34Å; D2660-R2662 WeakPolarHBondContact OD1-CG 3.26Å; D2660-R2662 IonicContact OD1-CZ 3.38Å; D2660-R2662 PolarHBondContact OD1-N 2.95Å; D2660-R2662 IonicContact OD1-NE 3.4Å; D2660-R2662 PolarHBondContact OD1-NE 3.01Å; D2660-R2662 IonicContact OD1-NH2 3.82Å; D2660-R2662 IonicContact OD2-CZ 3.23Å; D2660-R2662 IonicContact OD2-NE 3.18Å; D2660-R2662 PolarHBondContact OD2-NE 3.17Å; D2660-R2662 IonicContact OD2-NH2 2.97Å; D2660-R2662 PolarHBondContact OD2-NH2 3.35Å; D2660-D2663 PolarHBondContact O-N 2.75Å
2661	P	35.7	Very low	31.6	Very low	119 Å²	119	136.2 Å²	136.2	77%	0.773	72%	0.721	S	S	*	*	S	Bend	trans	-71	44	172.3	21.9	-23.8	0	0	0	114.2	S2852	P2661-S2852 WeakPolarHBondContact O-CB 3.02Å; P2661-S2852 PolarHBondContact O-OG 2.93Å
2662	R	33.3	Very low	31.7	Very low	195.4 Å²	195.4	139.1 Å²	139.1	74%	0.737	73%	0.726	S	S	*	*			trans	-128.1	49.3	172.4	-83.6	-175.5	-138.2	-164.3	-0.9	114.3	D2660 R2664 Q2851 Q2853	D2660-R2662 PolarHBondContact O-N 3.1Å; D2660-R2662 VanDerWaalsContact O-N 3.1Å; D2660-R2662 VanDerWaalsContact OD1-CB 3.3Å; D2660-R2662 WeakPolarHBondContact OD1-CB 3.34Å; D2660-R2662 WeakPolarHBondContact OD1-CG 3.26Å; D2660-R2662 IonicContact OD1-CZ 3.38Å; D2660-R2662 PolarHBondContact OD1-N 2.95Å; D2660-R2662 IonicContact OD1-NE 3.4Å; D2660-R2662 PolarHBondContact OD1-NE 3.01Å; D2660-R2662 IonicContact OD1-NH2 3.82Å; D2660-R2662 IonicContact OD2-CZ 3.23Å; D2660-R2662 IonicContact OD2-NE 3.18Å; D2660-R2662 PolarHBondContact OD2-NE 3.17Å; D2660-R2662 IonicContact OD2-NH2 2.97Å; D2660-R2662 PolarHBondContact OD2-NH2 3.35Å; R2662-R2664 PolarHBondContact O-N 2.91Å; R2662-Q2851 VanDerWaalsContact CA-NE2 3.25Å; R2662-Q2853 HydrophobicContact CG-CG 3.8Å
2663	D	37.2	Very low	31.6	Very low	136.2 Å²	136.2	139.8 Å²	139.8	73%	0.728	73%	0.725	S	S	*	*			trans	-133.2	115.1	166.4	-114.8	-3.5	0	0	0	113	D2660 Q2851	D2660-D2663 PolarHBondContact O-N 2.75Å; D2663-Q2851 WeakPolarHBondContact O-CG 3.28Å; D2663-Q2851 PolarHBondContact O-NE2 3.5Å; D2663-Q2851 VanDerWaalsContact O-NE2 3.12Å
2664	R	31.4	Very low	31.6	Very low	189.8 Å²	189.8	138.1 Å²	138.1	72%	0.716	72%	0.72	S	S	*	*			trans	-146.8	111.4	-168.1	-155.8	173.3	-69.2	-147.2	-1	112.3	R2662 Q2851 S2852	R2662-R2664 PolarHBondContact O-N 2.91Å; R2664-Q2851 HydrophobicContact CB-CB 4.43Å; R2664-Q2851 VanDerWaalsContact CZ-OE1 3.22Å; R2664-S2852 PolarHBondContact NH2-O 3.43Å; R2664-S2852 VanDerWaalsContact NH2-O 3.11Å
2665	F	30.7	Very low	31.5	Very low	178.8 Å²	178.8	142.4 Å²	142.4	78%	0.784	73%	0.726	S	S	*	*			trans	-112.8	123.6	159.2	-84	-82.7	0	0	0	114	G2849 Q2851	F2665-G2849 WeakPolarHBondContact CE1-O 2.87Å; F2665-G2849 WeakPolarHBondContact CZ-O 3.44Å; F2665-Q2851 HydrophobicContact CD2-CB 4.2Å; F2665-Q2851 HydrophobicContact CE2-CB 4.34Å
2666	V	31.3	Very low	31.4	Very low	115.4 Å²	115.4	141.3 Å²	141.3	70%	0.699	72%	0.724	S	S	*	*			trans	93.6	117.3	157.1	-156.1	0	0	0	0	113.3
2667	Y	30.7	Very low	31.5	Very low	204.2 Å²	204.2	144 Å²	144	80%	0.801	73%	0.73	S	S	*	*			trans	175.6	135.8	157.4	-84.4	-77.7	0	0	0	114	T2669 Q2848	Y2667-T2669 HydrophobicContact CD1-CG2 4.3Å; Y2667-Q2848 VanDerWaalsContact C-CD 3.44Å; Y2667-Q2848 VanDerWaalsContact N-OE1 3.08Å; Y2667-Q2848 VanDerWaalsContact O-CD 3.3Å; Y2667-Q2848 PolarHBondContact O-NE2 3.19Å; Y2667-Q2848 PolarHBondContact O-OE1 2.84Å
2668	Q	29	Very low	31.4	Very low	160.2 Å²	160.2	145.5 Å²	145.5	75%	0.749	73%	0.73	S	S	*	*			trans	-129.2	141.7	138.7	-160.4	151.8	24.3	0	0	112.4
2669	T	31	Very low	31.5	Very low	99.2 Å²	99.2	142 Å²	142	61%	0.609	72%	0.721	S	S	*	*			trans	-32	147	167.8	49.3	0	0	0	0	115.5	Y2667 I2671	Y2667-T2669 HydrophobicContact CD1-CG2 4.3Å; T2669-I2671 PolarHBondContact O-N 3.23Å
2670	P	33.6	Very low	31.3	Very low	120.8 Å²	120.8	140.3 Å²	140.3	78%	0.784	71%	0.713	S	S	*	*				-113.5	151	85.1	17.3	-1.6	0	0	0	112.6
2671	I	28.7	Very low	31.2	Very low	144 Å²	144	142.2 Å²	142.2	74%	0.738	72%	0.719	S	S	*	*			trans	-125.2	109.6	142.2	-64.3	166.9	0	0	0	110.7	T2669	T2669-I2671 PolarHBondContact O-N 3.23Å
2672	T	31.8	Very low	31	Very low	125.2 Å²	125.2	142.2 Å²	142.2	77%	0.768	72%	0.717	S	S	*	*			trans	-167.9	130.3	149.3	20.5	0	0	0	0	112
2673	Q	28.6	Very low	30.9	Very low	159.2 Å²	159.2	141.9 Å²	141.9	74%	0.744	72%	0.721	S	S	*	*			trans	-142.2	133	130.2	-97.6	176	71.7	0	0	110
2674	Q	29.9	Very low	30.7	Very low	145.2 Å²	145.2	139 Å²	139	68%	0.679	72%	0.723	S	S	*	*				106.5	135.3	78.9	-101.2	173.1	43.3	0	0	114.9
2675	Q	27.8	Very low	30.7	Very low	169.6 Å²	169.6	137.4 Å²	137.4	79%	0.793	73%	0.729	S	S	*	*			trans	63.2	129	144.2	-64.4	172.8	19.9	0	0	116.3
2676	S	27.2	Very low	30.8	Very low	93.8 Å²	93.8	133.1 Å²	133.1	66%	0.656	72%	0.719	S	S	*	*			cis	157.7	144.7	27.3	151.3	0	0	0	0	112.3
2677	L	31.5	Very low	30.7	Very low	154.2 Å²	154.2	134.5 Å²	134.5	81%	0.807	72%	0.722	S	S	*	*				165.7	123.7	127.5	-124.7	72.6	0	0	0	113.6
2678	D	29.5	Very low	30.8	Very low	122.8 Å²	122.8	129.9 Å²	129.9	66%	0.657	72%	0.72	S	S	*	*			trans	-58.8	146.8	137.9	-81.2	-34.6	0	0	0	117.5	K2830	D2678-K2830 WeakPolarHBondContact O-CD 3.15Å
2679	T	33.7	Very low	30.8	Very low	95.4 Å²	95.4	128.9 Å²	128.9	59%	0.585	72%	0.72	S	S	*	*				133.6	125.6	121.8	-10.7	0	0	0	0	116.5	Q2681 K2830	T2679-Q2681 HydrophobicContact CG2-CG 4.27Å; T2679-K2830 WeakPolarHBondContact O-CD 3.37Å; T2679-K2830 WeakPolarHBondContact O-CE 2.98Å; T2679-K2830 WeakPolarHBondContact O-CG 3.41Å
2680	N	29.5	Very low	30.8	Very low	116.4 Å²	116.4	132.3 Å²	132.3	62%	0.622	73%	0.731	S	S	*	*			trans	155.1	118.7	135.2	-81.1	-47.8	0	0	0	115.1	K2830 M3098	N2680-K2830 WeakPolarHBondContact O-CE 3.43Å; N2680-M3098 VanDerWaalsContact O-SD 3.41Å
2681	Q	32.3	Very low	30.6	Very low	141.2 Å²	141.2	133.1 Å²	133.1	66%	0.66	73%	0.728	S	S	*	*				74.1	115.9	110.9	-65	-162.8	50.5	0	0	116.3	T2679 M3098 Y3100	T2679-Q2681 HydrophobicContact CG2-CG 4.27Å; Q2681-M3098 VanDerWaalsContact O-CE 3.25Å; Q2681-M3098 WeakPolarHBondContact O-CE 3.46Å; Q2681-Y3100 WeakPolarHBondContact CA-OH 3.37Å; Q2681-Y3100 WeakPolarHBondContact CB-OH 3.48Å; Q2681-Y3100 HydrophobicContact CG-CE1 3.67Å; Q2681-Y3100 VanDerWaalsContact CG-OH 3.31Å; Q2681-Y3100 WeakPolarHBondContact CG-OH 3.07Å; Q2681-Y3100 PolarHBondContact OE1-OH 2.92Å
2682	T	31.9	Very low	30.7	Very low	119.4 Å²	119.4	133.1 Å²	133.1	73%	0.733	73%	0.728	S	S	*	*				179.5	124.4	85.4	-60.1	0	0	0	0	113.3
2683	K	31.9	Very low	30.5	Very low	189.4 Å²	189.4	131.1 Å²	131.1	82%	0.823	72%	0.72	S	S	*	*				80.1	133.1	124.1	-74.6	170.9	-179.4	169.4	0	116.3
2684	G	32.5	Very low	30.6	Very low	75.4 Å²	75.4	132.3 Å²	132.3	78%	0.777	72%	0.722	S	S	*	*			trans	106.8	120.1	155.4	0	0	0	0	0	115.6
2685	N	30.9	Very low	30.7	Very low	156 Å²	156	134.3 Å²	134.3	83%	0.834	73%	0.729	S	S	*	*			cis	173.5	152.3	24.7	-154	54	0	0	0	112.3
2686	P	34.1	Very low	30.8	Very low	88.6 Å²	88.6	133.7 Å²	133.7	58%	0.575	73%	0.73	S	S	*	*			trans	-110.1	-179.7	-151.7	40.1	-31.5	0	0	0	114.5
2687	N	29.6	Very low	31.1	Very low	144.8 Å²	144.8	135.6 Å²	135.6	77%	0.774	73%	0.732	S	S	*	*			trans	75.2	134.1	162.8	-52.9	-12.5	0	0	0	117.3
2688	S	32.4	Very low	31.2	Very low	107.6 Å²	107.6	137.5 Å²	137.5	75%	0.752	73%	0.733	S	S	*	*				-165.8	144.1	105.1	26.8	0	0	0	0	111
2689	D	28.6	Very low	31.3	Very low	139.4 Å²	139.4	137.2 Å²	137.2	75%	0.745	73%	0.732	S	S	*	*				17.8	123.3	125.2	-63.2	-48.5	0	0	0	115.8	N3084 Q3085	D2689-N3084 PolarHBondContact OD2-ND2 2.91Å; D2689-Q3085 VanDerWaalsContact CG-NE2 3.34Å; D2689-Q3085 PolarHBondContact OD2-NE2 2.87Å
2690	M	31	Very low	31.1	Very low	169 Å²	169	137.5 Å²	137.5	83%	0.833	74%	0.738	S	S	*	*			trans	109.2	124.1	142.2	-139	177.1	-79.5	0	0	116.1	I2692	M2690-I2692 HydrophobicContact CE-CD1 4.42Å; M2690-I2692 HydrophobicContact SD-CD1 4.26Å
2691	D	30.1	Very low	31.2	Very low	138.2 Å²	138.2	142 Å²	142	74%	0.739	75%	0.746	S	S	*	*			trans	17.8	136.3	140	-83.5	-29.3	0	0	0	117.3
2692	I	30.6	Very low	31.1	Very low	143.4 Å²	143.4	142.4 Å²	142.4	74%	0.735	75%	0.752	S	S	*	*				-179.8	122.3	116.7	-76.6	163	0	0	0	112.8	M2690	M2690-I2692 HydrophobicContact CE-CD1 4.42Å; M2690-I2692 HydrophobicContact SD-CD1 4.26Å
2693	S	28	Very low	30.9	Very low	85 Å²	85	145.6 Å²	145.6	59%	0.594	76%	0.756	S	S	*	*			trans	80.6	125.8	146.4	-71.4	0	0	0	0	120
2694	K	30.1	Very low	30.6	Very low	183.4 Å²	183.4	141.7 Å²	141.7	80%	0.797	75%	0.753	S	S	*	*			trans	56.7	114	132.1	-59.7	161.6	-170	163.2	0	117.4
2695	K	31.1	Very low	30.5	Very low	187.8 Å²	187.8	143.7 Å²	143.7	82%	0.817	75%	0.749	S	S	*	*				103.1	127.3	93.4	-126.2	175.2	-178.5	177.4	0	112.5	I2697	K2695-I2697 HydrophobicContact CG-CD1 4.46Å
2696	L	31.3	Very low	30.3	Very low	155.6 Å²	155.6	143.5 Å²	143.5	82%	0.815	75%	0.747	S	S	*	*				-171.5	109.1	118	-123.4	96.9	0	0	0	110.8
2697	I	31.9	Very low	30.2	Very low	134.4 Å²	134.4	146 Å²	146	69%	0.689	76%	0.756	S	S	*	*				36.5	120.6	112.1	-68.3	168.2	0	0	0	111.9	K2695	K2695-I2697 HydrophobicContact CG-CD1 4.46Å
2698	K	33.3	Very low	30.3	Very low	193.4 Å²	193.4	144.1 Å²	144.1	84%	0.841	75%	0.751	S	S	*	*			trans	-171.1	127.2	154.8	-88.2	168.2	-177.7	179.2	0	110.7
2699	D	32.1	Very low	30.2	Very low	116.8 Å²	116.8	143.9 Å²	143.9	63%	0.625	75%	0.75	S	S	*	*				-111	134.5	51	-117.6	-37.9	0	0	0	112.7	R2701	D2699-R2701 VanDerWaalsContact CG-NH2 3.27Å; D2699-R2701 PolarHBondContact O-N 2.9Å; D2699-R2701 IonicContact OD1-CZ 2.87Å; D2699-R2701 IonicContact OD1-NE 3.61Å; D2699-R2701 PolarHBondContact OD1-NE 3.44Å; D2699-R2701 IonicContact OD1-NH2 3.39Å; D2699-R2701 PolarHBondContact OD1-NH2 2.87Å; D2699-R2701 IonicContact OD2-NH2 3.04Å; D2699-R2701 PolarHBondContact OD2-NH2 2.99Å
2700	S	29.5	Very low	30.2	Very low	101.6 Å²	101.6	142.2 Å²	142.2	71%	0.71	75%	0.749	S	S	*	*			trans	-136.7	82.4	149.6	56.9	0	0	0	0	111.9
2701	R	32.7	Very low	30.2	Very low	211.6 Å²	211.6	139.8 Å²	139.8	80%	0.798	74%	0.743	S	S	*	*			trans	-152.4	91.4	160.3	-93.1	176.4	-102.9	172	5	112.1	D2699 F2703	D2699-R2701 VanDerWaalsContact CG-NH2 3.27Å; D2699-R2701 PolarHBondContact O-N 2.9Å; D2699-R2701 IonicContact OD1-CZ 2.87Å; D2699-R2701 IonicContact OD1-NE 3.61Å; D2699-R2701 PolarHBondContact OD1-NE 3.44Å; D2699-R2701 IonicContact OD1-NH2 3.39Å; D2699-R2701 PolarHBondContact OD1-NH2 2.87Å; D2699-R2701 IonicContact OD2-NH2 3.04Å; D2699-R2701 PolarHBondContact OD2-NH2 2.99Å; R2701-F2703 HydrophobicContact CG-CE2 4.48Å
2702	L	29.5	Very low	30.1	Very low	149 Å²	149	139.8 Å²	139.8	78%	0.78	74%	0.744	S	S	*	*			trans	-172.1	95.6	140.5	-90.1	168.2	0	0	0	109.3
2703	F	28.6	Very low	30.1	Very low	186.6 Å²	186.6	140.2 Å²	140.2	82%	0.818	75%	0.745	S	S	*	*				104.5	110.6	126.3	-88	-75.2	0	0	0	113.1	R2701 V2705	R2701-F2703 HydrophobicContact CG-CE2 4.48Å; F2703-V2705 HydrophobicContact CD1-CG2 3.65Å; F2703-V2705 HydrophobicContact CE1-CG2 4.35Å; F2703-V2705 HydrophobicContact CG-CG2 4.48Å
2704	S	25.3	Very low	30.1	Very low	108 Å²	108	142.1 Å²	142.1	76%	0.755	75%	0.748	S	S	*	*				-165.9	144	111.3	172.7	0	0	0	0	111
2705	V	28.9	Very low	30	Very low	116.6 Å²	116.6	141 Å²	141	71%	0.707	75%	0.745	S	S	*	*			trans	42.8	114.5	159.8	-170.5	0	0	0	0	111.5	F2703	F2703-V2705 HydrophobicContact CD1-CG2 3.65Å; F2703-V2705 HydrophobicContact CE1-CG2 4.35Å; F2703-V2705 HydrophobicContact CG-CG2 4.48Å
2706	I	27.8	Very low	29.8	Very low	151.8 Å²	151.8	137.8 Å²	137.8	78%	0.778	74%	0.737	S	S	*	*				151	131	118.5	-67.4	167	0	0	0	112.1	P2708	I2706-P2708 HydrophobicContact CG2-CG 4.44Å
2707	D	31.2	Very low	29.6	Very low	142.8 Å²	142.8	139.5 Å²	139.5	76%	0.764	74%	0.738	S	S	*	*			trans	-119.2	158	133.2	-163.5	33.7	0	0	0	109	S2709	D2707-S2709 PolarHBondContact O-N 2.88Å
2708	P	33.1	Very low	29.4	Very low	103.4 Å²	103.4	138.5 Å²	138.5	67%	0.671	74%	0.738	S	S	*	*			trans	-109.4	142.6	-170.8	32.1	-22.9	0	0	0	114.7	I2706	I2706-P2708 HydrophobicContact CG2-CG 4.44Å
2709	S	28.8	Very low	29.2	Very low	104.6 Å²	104.6	137.6 Å²	137.6	73%	0.731	74%	0.737	S	S	*	*			trans	-118.6	121.3	157.8	63.6	0	0	0	0	114.7	D2707	D2707-S2709 PolarHBondContact O-N 2.88Å
2710	S	29.8	Very low	29	Very low	103 Å²	103	137.4 Å²	137.4	72%	0.72	74%	0.74	S	S	*	*			trans	56	122.5	155.6	63.8	0	0	0	0	115
2711	T	30.3	Very low	29	Very low	118.4 Å²	118.4	140.3 Å²	140.3	73%	0.726	75%	0.747	S	S	*	*			cis	167.5	130.6	38.4	30.5	0	0	0	0	112.4	I2713	T2711-I2713 PolarHBondContact O-N 3.07Å
2712	N	28.3	Very low	28.8	Very low	138.6 Å²	138.6	133.9 Å²	133.9	74%	0.741	75%	0.747	S	S	*	*			trans	35.7	123.5	150.8	-65	-19.5	0	0	0	117.7	I2714	N2712-I2714 HydrophobicContact CB-CD1 4.1Å; N2712-I2714 HydrophobicContact CB-CG1 4.22Å
2713	I	30.3	Very low	28.7	Very low	151 Å²	151	135.7 Å²	135.7	77%	0.774	75%	0.752	S	S	*	*				131.2	116.8	110	-77.9	162.8	0	0	0	111.3	T2711	T2711-I2713 PolarHBondContact O-N 3.07Å
2714	I	27.2	Very low	28.6	Very low	125.4 Å²	125.4	134.1 Å²	134.1	64%	0.643	75%	0.751	S	S	*	*			trans	88.2	121.4	143.5	-57.5	175.4	0	0	0	115.9	N2712 N2716	N2712-I2714 HydrophobicContact CB-CD1 4.1Å; N2712-I2714 HydrophobicContact CB-CG1 4.22Å; I2714-N2716 HydrophobicContact CG2-CB 4.17Å
2715	H	29	Very low	28.8	Very low	160.6 Å²	160.6	135.9 Å²	135.9	74%	0.744	75%	0.75	S	S	*	*			trans	111.2	115.8	139.3	-92.2	-72.6	0	0	0	117
2716	N	27	Very low	28.7	Very low	119.6 Å²	119.6	136.7 Å²	136.7	64%	0.64	75%	0.751	S	S	*	*				66.4	113.9	102.6	-70	0.5	0	0	0	119.7	I2714	I2714-N2716 HydrophobicContact CG2-CB 4.17Å
2717	F	26.6	Very low	28.8	Very low	192.2 Å²	192.2	134.9 Å²	134.9	84%	0.843	75%	0.748	S	S	*	*			trans	152.8	117.1	131.7	-84.9	-78	0	0	0	112.5
2718	V	27.7	Very low	28.7	Very low	114 Å²	114	135.6 Å²	135.6	69%	0.691	75%	0.751	S	S	*	*				82.5	116.8	74.8	168.2	0	0	0	0	113.6
2719	E	28.8	Very low	28.4	Very low	173.8 Å²	173.8	133.7 Å²	133.7	81%	0.812	75%	0.751	S	S	*	*			trans	-109.1	145.1	151.4	-74.7	171.6	154.1	0	0	114.1
2720	T	29.6	Very low	28.4	Very low	112.8 Å²	112.8	136.5 Å²	136.5	69%	0.692	76%	0.756	S	S	*	*			trans	157.7	128.7	148.1	34.4	0	0	0	0	116.5
2721	N	28.9	Very low	28.3	Very low	162 Å²	162	138.7 Å²	138.7	87%	0.866	75%	0.754	S	S	*	*			trans	49.7	114.6	144.9	-55.1	-18.8	0	0	0	120.3
2722	G	28.8	Very low	28.2	Very low	77.2 Å²	77.2	139.8 Å²	139.8	80%	0.796	76%	0.755	S	S	*	*			trans	-179.8	92.1	163.2	0	0	0	0	0	115.2
2723	Q	25.8	Very low	28.2	Very low	187 Å²	187	140.3 Å²	140.3	87%	0.874	75%	0.752	S	S	*	*			trans	-84.6	137.4	-174.6	-102.7	171.2	-44.6	0	0	111.8
2724	L	27.4	Very low	28.1	Very low	154.2 Å²	154.2	138.4 Å²	138.4	81%	0.807	75%	0.753	S	S	*	*				-155.4	153.3	126.4	-122.3	90	0	0	0	112.2
2725	I	29.1	Very low	28.2	Very low	144 Å²	144	139.2 Å²	139.2	74%	0.738	76%	0.758	S	S	*	*			trans	74.5	108.6	161.2	-57.6	170.3	0	0	0	114	T2727	I2725-T2727 HydrophobicContact CG2-CG2 4.46Å
2726	N	26.9	Very low	28.2	Very low	133.8 Å²	133.8	136.4 Å²	136.4	72%	0.716	76%	0.757	S	S	*	*				48.6	138.1	95.9	-149	13.4	0	0	0	112.1	N2728	N2726-N2728 PolarHBondContact ND2-OD1 3.48Å; N2726-N2728 PolarHBondContact OD1-N 3.18Å; N2726-N2728 PolarHBondContact OD1-OD1 3.09Å
2727	T	30.5	Very low	28.2	Very low	115.4 Å²	115.4	139.3 Å²	139.3	71%	0.708	77%	0.766	S	S	*	*			trans	-151.5	140.4	149.7	29.2	0	0	0	0	112.9	I2725	I2725-T2727 HydrophobicContact CG2-CG2 4.46Å
2728	N	28.5	Very low	28.5	Very low	155.6 Å²	155.6	135.7 Å²	135.7	83%	0.832	76%	0.762	S	S	*	*			trans	-23.1	141.9	163	-53.3	-31.3	0	0	0	114.3	N2726	N2726-N2728 PolarHBondContact ND2-OD1 3.48Å; N2726-N2728 PolarHBondContact OD1-N 3.18Å; N2726-N2728 PolarHBondContact OD1-OD1 3.09Å
2729	G	27.1	Very low	28.5	Very low	65 Å²	65	137.8 Å²	137.8	67%	0.67	77%	0.766	S	S	*	*				133.4	99.3	110.1	0	0	0	0	0	115.2
2730	I	29.9	Very low	28.7	Very low	163.8 Å²	163.8	137.2 Å²	137.2	84%	0.84	76%	0.763	S	S	*	*			trans	98.6	126.8	142.8	-67.3	166.8	0	0	0	112.2	I2215 G2216 L2732	I2215-I2730 CarbonylContact O-C 3.03Å; I2215-I2730 WeakPolarHBondContact O-CA 3.29Å; I2215-I2730 PolarHBondContact O-N 2.9Å; G2216-I2730 WeakPolarHBondContact CA-O 3.36Å; I2730-L2732 HydrophobicContact CG2-CD1 4.12Å; I2730-L2732 HydrophobicContact CG2-CG 4.07Å
2731	H	27.2	Very low	28.9	Very low	148.4 Å²	148.4	140.7 Å²	140.7	69%	0.687	77%	0.769	S	S	*	*			trans	-92.1	144.2	-178.8	-171.3	45.5	0	0	0	110.7	T2214 I2215 H2733	T2214-H2731 PolarHBondContact O-CD2 3.44Å; I2215-H2731 PolarHBondContact O-N 2.88Å; H2731-H2733 AromaticContact CE1-CD2 3.55Å; H2731-H2733 PolarHBondContact CE1-CD2 3.31Å; H2731-H2733 AromaticContact CE1-NE2 3.38Å; H2731-H2733 PolarHBondContact CE1-NE2 3.36Å; H2731-H2733 AromaticContact NE2-CD2 3.31Å; H2731-H2733 PolarHBondContact NE2-CD2 3.06Å; H2731-H2733 VanDerWaalsContact NE2-CD2 3.31Å; H2731-H2733 AromaticContact NE2-NE2 3.53Å
2732	L	28.3	Very low	29.1	Very low	141.2 Å²	141.2	140 Å²	140	74%	0.739	77%	0.765	S	S	*	*			trans	-113.7	139.4	170.9	-76.5	152.3	0	0	0	110.3	I2730 S2734	I2730-L2732 HydrophobicContact CG2-CD1 4.12Å; I2730-L2732 HydrophobicContact CG2-CG 4.07Å; L2732-S2734 PolarHBondContact O-N 2.72Å
2733	H	27.3	Very low	29.5	Very low	148.8 Å²	148.8	142.2 Å²	142.2	69%	0.689	76%	0.758	S	S	*	*			trans	18.2	114.6	155.7	-82.2	-79.2	0	0	0	115.6	H2731 D2735	H2731-H2733 AromaticContact CE1-CD2 3.55Å; H2731-H2733 PolarHBondContact CE1-CD2 3.31Å; H2731-H2733 AromaticContact CE1-NE2 3.38Å; H2731-H2733 PolarHBondContact CE1-NE2 3.36Å; H2731-H2733 AromaticContact NE2-CD2 3.31Å; H2731-H2733 PolarHBondContact NE2-CD2 3.06Å; H2731-H2733 VanDerWaalsContact NE2-CD2 3.31Å; H2731-H2733 AromaticContact NE2-NE2 3.53Å; H2733-D2735 IonicContact CE1-OD1 3.7Å; H2733-D2735 IonicContact CE1-OD2 3.69Å; H2733-D2735 IonicContact CG-OD1 3.89Å; H2733-D2735 IonicContact CG-OD2 3.68Å; H2733-D2735 IonicContact ND1-OD1 3.4Å; H2733-D2735 PolarHBondContact ND1-OD1 3.02Å; H2733-D2735 IonicContact ND1-OD2 3.21Å; H2733-D2735 PolarHBondContact ND1-OD2 2.78Å
2734	S	28.5	Very low	30	Very low	111.2 Å²	111.2	140 Å²	140	78%	0.778	75%	0.751	S	S	*	*			trans	-135.2	108.4	142.5	-65.2	0	0	0	0	109.4	L2732	L2732-S2734 PolarHBondContact O-N 2.72Å
2735	D	29.5	Very low	30.3	Very low	141.8 Å²	141.8	139.5 Å²	139.5	76%	0.758	75%	0.749	S	S	*	*			trans	-52.6	114.8	154.7	-63.6	-42.3	0	0	0	112.8	H2733	H2733-D2735 IonicContact CE1-OD1 3.7Å; H2733-D2735 IonicContact CE1-OD2 3.69Å; H2733-D2735 IonicContact CG-OD1 3.89Å; H2733-D2735 IonicContact CG-OD2 3.68Å; H2733-D2735 IonicContact ND1-OD1 3.4Å; H2733-D2735 PolarHBondContact ND1-OD1 3.02Å; H2733-D2735 IonicContact ND1-OD2 3.21Å; H2733-D2735 PolarHBondContact ND1-OD2 2.78Å
2736	S	28.8	Very low	30.8	Very low	102.6 Å²	102.6	140.8 Å²	140.8	72%	0.717	75%	0.75	S	S	*	*			trans	-147.9	129.7	146	48.6	0	0	0	0	115.5
2737	H	27.5	Very low	31.4	Very low	180.8 Å²	180.8	139.1 Å²	139.1	84%	0.837	75%	0.746	S	S	*	*			trans	-72.8	129.7	165.8	-66.1	-61.1	0	0	0	115.4
2738	P	31.6	Very low	31.8	Very low	117.2 Å²	117.2	141.1 Å²	141.1	76%	0.761	75%	0.752	S	S	*	*			trans	-95.3	143	137.4	34.3	-28	0	0	0	110.8	Q2740	P2738-Q2740 PolarHBondContact O-N 2.84Å
2739	M	28.9	Very low	32.2	Very low	156.6 Å²	156.6	144.2 Å²	144.2	77%	0.771	75%	0.754	S	S	*	*			trans	37.6	110.5	151.1	-69.1	-168.6	84.9	0	0	114.7	K2741	M2739-K2741 PolarHBondContact O-N 3.28Å
2740	Q	31.6	Very low	32.5	Very low	161.4 Å²	161.4	149.3 Å²	149.3	75%	0.754	76%	0.761	S	S	*	*				-105.7	126.1	121.1	-85.8	178.7	-28.9	0	0	110.9	P2738 N2742 F3237	P2738-Q2740 PolarHBondContact O-N 2.84Å; Q2740-N2742 PolarHBondContact O-N 3.12Å; Q2740-N2742 VanDerWaalsContact O-N 3.13Å; Q2740-F3237 VanDerWaalsContact OE1-CZ 3.27Å
2741	K	33.9	Very low	32.6	Very low	185.8 Å²	185.8	152.3 Å²	152.3	81%	0.808	76%	0.761	S	S	*	*			trans	-95.2	102.6	155.5	-113.4	-175.9	-175.6	-175	0	109.2	M2739 I2743	M2739-K2741 PolarHBondContact O-N 3.28Å; K2741-I2743 VanDerWaalsContact C-N 3.26Å; K2741-I2743 HydrophobicContact CD-CD1 4.04Å; K2741-I2743 HydrophobicContact CD-CG1 4.31Å; K2741-I2743 HydrophobicContact CG-CD1 4.22Å; K2741-I2743 HydrophobicContact CG-CG1 4.23Å; K2741-I2743 PolarHBondContact O-N 2.97Å
2742	N	34.1	Very low	33	Very low	147.2 Å²	147.2	150.3 Å²	150.3	79%	0.787	76%	0.762	S	S	*	*			trans	-79.5	103.6	153.9	-91.2	-7.6	0	0	0	110	Q2740 L2744	Q2740-N2742 PolarHBondContact O-N 3.12Å; Q2740-N2742 VanDerWaalsContact O-N 3.13Å; N2742-L2744 PolarHBondContact O-N 3.07Å
2743	I	36.4	Very low	33.2	Very low	125.2 Å²	125.2	147.6 Å²	147.6	64%	0.642	75%	0.754	S	S	*	*			trans	-81	112.9	169.4	-60.4	164.7	0	0	0	105.9	K2741 D2745 K3238	K2741-I2743 VanDerWaalsContact C-N 3.26Å; K2741-I2743 HydrophobicContact CD-CD1 4.04Å; K2741-I2743 HydrophobicContact CD-CG1 4.31Å; K2741-I2743 HydrophobicContact CG-CD1 4.22Å; K2741-I2743 HydrophobicContact CG-CG1 4.23Å; K2741-I2743 PolarHBondContact O-N 2.97Å; I2743-D2745 HydrophobicContact CG2-CB 4.44Å; I2743-D2745 VanDerWaalsContact CG2-OD1 3.28Å; I2743-D2745 WeakPolarHBondContact CG2-OD1 3.35Å; I2743-D2745 VanDerWaalsContact CG2-OD2 3.22Å; I2743-D2745 WeakPolarHBondContact CG2-OD2 3.42Å; I2743-D2745 PolarHBondContact O-N 2.81Å; I2743-K3238 HydrophobicContact CG1-CD 4.23Å
2744	L	36.7	Very low	33.4	Very low	140.4 Å²	140.4	145.7 Å²	145.7	74%	0.735	76%	0.758	S	S	*	*				-81.5	84.8	129.2	-151.6	81.2	0	0	0	109.5	N2742 F2746	N2742-L2744 PolarHBondContact O-N 3.07Å; L2744-F2746 HydrophobicContact CD2-CE2 4.18Å; L2744-F2746 HydrophobicContact CD2-CZ 4.1Å; L2744-F2746 HydrophobicContact CG-CE2 4.16Å; L2744-F2746 WeakPolarHBondContact O-CD2 3.48Å; L2744-F2746 PolarHBondContact O-N 3.29Å
2745	D	34.7	Very low	33.7	Very low	143.2 Å²	143.2	146 Å²	146	77%	0.766	76%	0.757	S	S	*	*			trans	-89.7	142.7	172.4	-141.5	-16	0	0	0	110	I2743	I2743-D2745 HydrophobicContact CG2-CB 4.44Å; I2743-D2745 VanDerWaalsContact CG2-OD1 3.28Å; I2743-D2745 WeakPolarHBondContact CG2-OD1 3.35Å; I2743-D2745 VanDerWaalsContact CG2-OD2 3.22Å; I2743-D2745 WeakPolarHBondContact CG2-OD2 3.42Å; I2743-D2745 PolarHBondContact O-N 2.81Å
2746	F	38.1	Very low	33.7	Very low	171 Å²	171	142.4 Å²	142.4	75%	0.75	75%	0.753	S	S	*	*			trans	-103.5	140.2	-179.3	-79.2	-89.8	0	0	0	110.3	L2744 D2748	L2744-F2746 HydrophobicContact CD2-CE2 4.18Å; L2744-F2746 HydrophobicContact CD2-CZ 4.1Å; L2744-F2746 HydrophobicContact CG-CE2 4.16Å; L2744-F2746 WeakPolarHBondContact O-CD2 3.48Å; L2744-F2746 PolarHBondContact O-N 3.29Å; F2746-D2748 PolarHBondContact O-N 3.2Å
2747	P	40.3	Very low	33.8	Very low	99.2 Å²	99.2	148.1 Å²	148.1	64%	0.644	76%	0.761	S	S	*	*			trans	-70.3	128.4	-167	17.8	-22.5	0	0	0	112.5	Y2749	P2747-Y2749 HydrophobicContact CB-CD2 4.2Å; P2747-Y2749 HydrophobicContact CB-CE2 4.39Å; P2747-Y2749 HydrophobicContact CG-CD2 4.32Å; P2747-Y2749 HydrophobicContact CG-CE2 4.45Å; P2747-Y2749 PolarHBondContact O-N 3.25Å; P2747-Y2749 VanDerWaalsContact O-N 3.09Å
2748	D	38.9	Very low	34	Very low	156 Å²	156	145.3 Å²	145.3	83%	0.834	76%	0.757	S	S	*	*			trans	-59.4	121.6	166.9	-91	-44.6	0	0	0	110.4	F2746 Q2750	F2746-D2748 PolarHBondContact O-N 3.2Å; D2748-Q2750 PolarHBondContact O-N 2.93Å
2749	Y	36	Very low	34	Very low	221.4 Å²	221.4	148.2 Å²	148.2	87%	0.868	76%	0.76	S	S	*	*			trans	-89.5	95.9	169.6	-84.1	-82.8	0	0	0	109.8	P2747 R2751	P2747-Y2749 HydrophobicContact CB-CD2 4.2Å; P2747-Y2749 HydrophobicContact CB-CE2 4.39Å; P2747-Y2749 HydrophobicContact CG-CD2 4.32Å; P2747-Y2749 HydrophobicContact CG-CE2 4.45Å; P2747-Y2749 PolarHBondContact O-N 3.25Å; P2747-Y2749 VanDerWaalsContact O-N 3.09Å; Y2749-R2751 PolarHBondContact O-N 3.32Å; Y2749-R2751 VanDerWaalsContact O-N 3.11Å
2750	Q	33.4	Very low	34.2	Very low	172.4 Å²	172.4	149.5 Å²	149.5	81%	0.806	76%	0.764	S	S	*	*			trans	-59.2	120.2	179.5	-71	-177.8	-30.7	0	0	111.3	D2748 P2752	D2748-Q2750 PolarHBondContact O-N 2.93Å; Q2750-P2752 WeakPolarHBondContact O-CD 3.36Å; Q2750-P2752 VanDerWaalsContact O-N 3.16Å
2751	R	33.4	Very low	34.2	Very low	225.6 Å²	225.6	151.2 Å²	151.2	85%	0.851	77%	0.769	S	S	*	*			trans	-61.4	128.5	166.3	-169.9	-179.8	-157.2	-131.3	1.4	110.4	Y2749 S2753	Y2749-R2751 PolarHBondContact O-N 3.32Å; Y2749-R2751 VanDerWaalsContact O-N 3.11Å; R2751-S2753 PolarHBondContact O-N 3.09Å
2752	P	35.2	Very low	34	Very low	107.8 Å²	107.8	151.5 Å²	151.5	70%	0.7	77%	0.773	S	S	*	*			trans	-74.4	135.6	-173.4	-10.4	20.6	0	0	0	113.7	Q2750 Q2853 N2855	Q2750-P2752 WeakPolarHBondContact O-CD 3.36Å; Q2750-P2752 VanDerWaalsContact O-N 3.16Å; P2752-Q2853 HydrophobicContact CB-CG 4.31Å; P2752-N2855 WeakPolarHBondContact CA-OD1 3.36Å
2753	S	32.1	Very low	33.7	Very low	83.4 Å²	83.4	153.1 Å²	153.1	58%	0.583	78%	0.776	S	S	*	*			trans	-68.5	130.8	165	-58.7	0	0	0	0	112.3	R2751 N2855 L2857	R2751-S2753 PolarHBondContact O-N 3.09Å; S2753-N2855 PolarHBondContact N-OD1 2.95Å; S2753-N2855 WeakPolarHBondContact O-CA 3.33Å; S2753-N2855 PolarHBondContact O-OD1 3.27Å; S2753-N2855 VanDerWaalsContact O-OD1 3.08Å; S2753-L2857 PolarHBondContact OG-N 3.21Å
2754	S	31.8	Very low	33.3	Very low	109 Å²	109	152.1 Å²	152.1	76%	0.762	78%	0.78	S	S	*	*			trans	-66.9	140.5	171	-49.2	0	0	0	0	112.6	G2756	S2754-G2756 VanDerWaalsContact C-N 3.27Å; S2754-G2756 PolarHBondContact O-N 3.24Å
2755	P	33.8	Very low	33	Very low	117.6 Å²	117.6	151 Å²	151	76%	0.764	78%	0.78	S	S	*	*			trans	-82.1	128.1	-169	14	-9.5	0	0	0	113.6	S2854	P2755-S2854 WeakPolarHBondContact CB-O 3.3Å
2756	G	29.5	Very low	32.6	Very low	66 Å²	66	154.4 Å²	154.4	68%	0.68	78%	0.783	S	S	*	*			trans	-110.3	126	162.8	0	0	0	0	0	114.6	S2754 T2758	S2754-G2756 VanDerWaalsContact C-N 3.27Å; S2754-G2756 PolarHBondContact O-N 3.24Å; G2756-T2758 PolarHBondContact O-N 2.96Å
2757	Y	30.9	Very low	32.3	Very low	222.4 Å²	222.4	151.9 Å²	151.9	87%	0.872	78%	0.784	S	S	*	*			trans	-67.7	119.9	161	-92.5	-94.3	0	0	0	113.5	H2759	Y2757-H2759 PolarHBondContact O-N 3.26Å
2758	T	32.3	Very low	31.7	Very low	122.2 Å²	122.2	153.1 Å²	153.1	75%	0.75	79%	0.79	S	S	*	*			trans	-77.7	130.1	163.4	50.7	0	0	0	0	113.8	G2756	G2756-T2758 PolarHBondContact O-N 2.96Å
2759	H	32.6	Very low	31.3	Very low	177.8 Å²	177.8	154 Å²	154	82%	0.823	79%	0.789	S	S	*	*			trans	-131.4	110.2	162.9	-82.3	-59.4	0	0	0	112.5	Y2757 K2761	Y2757-H2759 PolarHBondContact O-N 3.26Å; H2759-K2761 PolarHBondContact O-N 3.02Å
2760	E	32.1	Very low	31.1	Very low	184.4 Å²	184.4	150.7 Å²	150.7	86%	0.862	79%	0.785	S	S	*	*			trans	-71.6	133.8	177.7	-64.3	-174.6	108.5	0	0	112.7
2761	K	31.7	Very low	30.9	Very low	197.2 Å²	197.2	145.9 Å²	145.9	86%	0.857	78%	0.781	S	S	*	*			trans	-118.3	123.8	149.6	-123.2	175.3	-177.1	175.3	0	112.3	H2759 Q2763	H2759-K2761 PolarHBondContact O-N 3.02Å; K2761-Q2763 VanDerWaalsContact CE-OE1 3.28Å; K2761-Q2763 PolarHBondContact O-N 3.23Å
2762	Q	29	Very low	30.9	Very low	191.2 Å²	191.2	144.5 Å²	144.5	89%	0.893	78%	0.781	S	S	*	*			trans	-84.3	138.9	167.3	-65	179.4	-3.9	0	0	111
2763	Q	29.2	Very low	30.5	Very low	181 Å²	181	144.1 Å²	144.1	85%	0.846	78%	0.781	S	S	*	*			trans	-155.9	116	162.7	-120.2	174.6	6.6	0	0	111.4	K2761	K2761-Q2763 VanDerWaalsContact CE-OE1 3.28Å; K2761-Q2763 PolarHBondContact O-N 3.23Å
2764	S	28.2	Very low	30.6	Very low	105 Å²	105	146.9 Å²	146.9	73%	0.734	79%	0.79	S	S	*	*			trans	-122.8	131.6	161.7	110	0	0	0	0	111.4
2765	T	29.9	Very low	30.5	Very low	118.2 Å²	118.2	150.5 Å²	150.5	73%	0.725	79%	0.794	S	S	*	*			trans	116.7	112.6	145.3	-56.9	0	0	0	0	113.3	P2767	T2765-P2767 WeakPolarHBondContact O-CD 3.13Å
2766	Y	25.3	Very low	30.3	Very low	213.4 Å²	213.4	150 Å²	150	84%	0.837	79%	0.794	S	S	*	*			trans	-86.4	143.9	162.7	-77.8	-81.8	0	0	0	113.8
2767	P	31.8	Very low	30.3	Very low	119 Å²	119	152.4 Å²	152.4	77%	0.773	80%	0.795	S	S	*	*			trans	-99.7	142.8	169.5	23.4	-11.8	0	0	0	112.7	T2765	T2765-P2767 WeakPolarHBondContact O-CD 3.13Å
2768	T	28.2	Very low	30.3	Very low	123.6 Å²	123.6	150.4 Å²	150.4	76%	0.758	79%	0.791	S	S	*	*			trans	-114.6	131.6	173.8	-47.3	0	0	0	0	111
2769	E	31.7	Very low	30.2	Very low	176.4 Å²	176.4	152 Å²	152	82%	0.824	79%	0.789	S	S	*	*			trans	163.8	134.3	135.8	-77.6	-166.6	177.6	0	0	112.9
2770	I	30.5	Very low	30.1	Very low	151 Å²	151	150.6 Å²	150.6	77%	0.774	78%	0.783	S	S	*	*				66.6	96	120.7	-55	165.9	0	0	0	114.9
2771	G	30.5	Very low	29.9	Very low	71.4 Å²	71.4	149.7 Å²	149.7	74%	0.736	78%	0.779	S	S	*	*			trans	-170.1	101.2	157	0	0	0	0	0	116.4
2772	K	33.2	Very low	29.9	Very low	196.2 Å²	196.2	147.4 Å²	147.4	85%	0.853	77%	0.774	S	S	*	*			trans	31.1	129.5	140	-69.9	169.7	-176.4	172.9	0	114.2
2773	S	27.1	Very low	30	Very low	99.6 Å²	99.6	145.4 Å²	145.4	70%	0.697	77%	0.768	S	S	*	*			trans	25.7	150	143.9	70.6	0	0	0	0	116
2774	D	32.9	Very low	30.1	Very low	142 Å²	142	141.7 Å²	141.7	76%	0.759	76%	0.762	S	S	*	*			trans	168.5	131.1	135.5	-86.9	-41.4	0	0	0	115.2
2775	H	30.7	Very low	30.3	Very low	184.6 Å²	184.6	142.6 Å²	142.6	86%	0.855	76%	0.763	S	S	*	*			trans	-115.5	141.6	147.5	-80.5	-25.2	0	0	0	112.6
2776	S	28.2	Very low	30.3	Very low	108.4 Å²	108.4	147.7 Å²	147.7	76%	0.758	77%	0.769	S	S	*	*				90.6	124.8	127.6	-169.4	0	0	0	0	116.2
2777	V	29.5	Very low	30.4	Very low	115.8 Å²	115.8	144.5 Å²	144.5	70%	0.702	77%	0.767	S	S	*	*				18	129.9	105.2	174.7	0	0	0	0	114.2
2778	K	31.7	Very low	30.4	Very low	180.4 Å²	180.4	143.5 Å²	143.5	78%	0.784	76%	0.758	S	S	*	*				141.3	139.1	129.3	-87.1	163.6	-167.3	169.1	0	115.4
2779	Q	30	Very low	30.4	Very low	155.8 Å²	155.8	143.6 Å²	143.6	73%	0.728	75%	0.754	S	S	*	*			trans	71.9	126.1	131.6	-111	178.9	-26.6	0	0	116.2
2780	H	29.8	Very low	30.3	Very low	147.2 Å²	147.2	142 Å²	142	68%	0.681	75%	0.747	S	S	*	*				112.4	124.5	102.3	-92.9	-54.8	0	0	0	115.4
2781	Q	29.3	Very low	30.3	Very low	166.6 Å²	166.6	144 Å²	144	78%	0.779	75%	0.746	S	S	*	*				74.1	148.2	116.2	-150.8	177.5	20.6	0	0	112.5	I2783	Q2781-I2783 HydrophobicContact CG-CD1 4.31Å
2782	I	31.9	Very low	30.3	Very low	148.6 Å²	148.6	148.3 Å²	148.3	76%	0.762	75%	0.746	S	S	*	*			trans	-160.6	128	153.6	-75	165.1	0	0	0	110.7
2783	I	31.3	Very low	30.1	Very low	149.8 Å²	149.8	143.9 Å²	143.9	77%	0.768	74%	0.74	S	S	*	*			trans	-65.8	129.1	148.9	-59.1	165.9	0	0	0	111.4	Q2781	Q2781-I2783 HydrophobicContact CG-CD1 4.31Å
2784	S	29.9	Very low	30.2	Very low	102 Å²	102	144.1 Å²	144.1	71%	0.713	74%	0.741	S	S	*	*			trans	168.6	133.1	136.1	-152.3	0	0	0	0	113.9
2785	T	33.1	Very low	30	Very low	124.8 Å²	124.8	142.5 Å²	142.5	77%	0.766	74%	0.741	S	S	*	*			trans	-86	133.2	158.6	47	0	0	0	0	112.2
2786	R	29	Very low	30.3	Very low	225.2 Å²	225.2	139.2 Å²	139.2	85%	0.85	74%	0.736	S	S	*	*				-47.2	99.8	113.5	-171.2	-177	-104.7	167	0.6	112	V2788	R2786-V2788 HydrophobicContact CB-CG2 4.5Å; R2786-V2788 HydrophobicContact CG-CG2 3.76Å
2787	N	28.7	Very low	30.3	Very low	145.8 Å²	145.8	140.3 Å²	140.3	78%	0.78	74%	0.738	S	S	*	*			trans	-160.4	137.3	134	-119.4	-1.9	0	0	0	112.3	N2789	N2787-N2789 PolarHBondContact OD1-ND2 3.05Å
2788	V	30.4	Very low	30.3	Very low	98.2 Å²	98.2	140.4 Å²	140.4	60%	0.595	74%	0.744	S	S	*	*			trans	120.7	122.9	141.8	171.7	0	0	0	0	113.9	R2786	R2786-V2788 HydrophobicContact CB-CG2 4.5Å; R2786-V2788 HydrophobicContact CG-CG2 3.76Å
2789	N	28.4	Very low	30.2	Very low	125 Å²	125	135.2 Å²	135.2	67%	0.668	74%	0.741	S	S	*	*			trans	86.7	125.5	150	-69.5	-24.4	0	0	0	117.7	N2787	N2787-N2789 PolarHBondContact OD1-ND2 3.05Å
2790	H	29.4	Very low	30	Very low	144.6 Å²	144.6	133.4 Å²	133.4	67%	0.669	75%	0.747	S	S	*	*				84.1	139.6	89	-84.6	54.8	0	0	0	115.2
2791	Y	32	Very low	29.9	Very low	191.8 Å²	191.8	131.9 Å²	131.9	75%	0.752	75%	0.752	S	S	*	*			trans	157.2	119.9	152	-84.9	-64.6	0	0	0	114.6
2792	H	29.9	Very low	29.9	Very low	161.6 Å²	161.6	128.8 Å²	128.8	75%	0.748	75%	0.749	S	S	*	*			trans	45.1	134.9	138.3	-60.3	-88.4	0	0	0	121
2793	S	28.1	Very low	29.8	Very low	104.6 Å²	104.6	128.1 Å²	128.1	73%	0.731	75%	0.752	S	S	*	*			trans	105.5	122.8	136.7	156.1	0	0	0	0	115.3
2794	S	29.4	Very low	29.6	Very low	102.4 Å²	102.4	124.1 Å²	124.1	72%	0.716	75%	0.747	S	S	*	*				86.1	128.2	52	44.7	0	0	0	0	115.9
2795	S	30	Very low	29.4	Very low	108.4 Å²	108.4	127.8 Å²	127.8	76%	0.758	75%	0.753	S	S	*	*			trans	65.6	156.4	150	-55.1	0	0	0	0	117.8
2796	P	35.8	Very low	29.1	Very low	116.4 Å²	116.4	127 Å²	127	76%	0.756	75%	0.752	S	S	*	*				-120.3	176.5	-81.7	38.1	-26.8	0	0	0	114.5
2797	V	29	Very low	29.1	Very low	131.2 Å²	131.2	124.2 Å²	124.2	80%	0.795	75%	0.754	S	S	*	*				95.1	147.1	116	-172.5	0	0	0	0	115.6
2798	S	28.8	Very low	29.1	Very low	117.6 Å²	117.6	121.6 Å²	121.6	82%	0.822	75%	0.752	S	S	*	*			trans	-109.1	142.2	-176.7	-29.3	0	0	0	0	113.5
2799	G	29.6	Very low	29	Very low	70.8 Å²	70.8	123 Å²	123	73%	0.73	77%	0.766	S	S	*	*			cis	179	120.9	-9.7	0	0	0	0	0	114.2
2800	S	27.4	Very low	29	Very low	119.8 Å²	119.8	120.5 Å²	120.5	84%	0.838	77%	0.77	S	S	*	*			trans	86.7	113.9	152.2	-46.9	0	0	0	0	117.6	S2802	S2800-S2802 PolarHBondContact O-N 3.45Å
2801	S	27.3	Very low	29	Very low	114 Å²	114	118.6 Å²	118.6	80%	0.797	77%	0.773	S	S	*	*			trans	91.6	111.8	145.1	156.3	0	0	0	0	115.4
2802	S	29.1	Very low	28.9	Very low	101.4 Å²	101.4	120.4 Å²	120.4	71%	0.709	78%	0.779	S	S	*	*				90.1	130.5	123	63.3	0	0	0	0	114.7	S2800	S2800-S2802 PolarHBondContact O-N 3.45Å
2803	T	29.6	Very low	29	Very low	135.2 Å²	135.2	121.7 Å²	121.7	83%	0.829	78%	0.782	S	S	*	*			trans	68.4	106.6	153	-39.2	0	0	0	0	115
2804	G	26	Very low	29	Very low	64.6 Å²	64.6	121.2 Å²	121.2	67%	0.666	78%	0.779	S	S	*	*			trans	-170.2	118.9	150	0	0	0	0	0	113.5
2805	H	27.2	Very low	29.1	Very low	180.2 Å²	180.2	122.8 Å²	122.8	83%	0.834	78%	0.779	S	S	*	*			trans	22.9	125.4	151.2	-63.6	-73.6	0	0	0	114.3
2806	S	27.1	Very low	29.4	Very low	107.4 Å²	107.4	125.6 Å²	125.6	75%	0.751	78%	0.78	S	S	*	*				-174.9	148.3	122.3	-81.7	0	0	0	0	113.2
2807	L	28.3	Very low	29.2	Very low	168 Å²	168	127.4 Å²	127.4	88%	0.88	78%	0.778	S	S	*	*			trans	-151.2	144.4	142.7	-71.5	167.7	0	0	0	111.8
2808	A	28.3	Very low	29.5	Very low	89.8 Å²	89.8	129 Å²	129	74%	0.742	78%	0.777	S	S	*	*			trans	-147.7	138.5	146.2	0	0	0	0	0	113.2
2809	S	29.3	Very low	29.5	Very low	127.6 Å²	127.6	127.5 Å²	127.5	89%	0.892	77%	0.766	S	S	*	*			trans	141.1	130.9	157	-83.6	0	0	0	0	113.1
2810	G	27.6	Very low	29.5	Very low	72.6 Å²	72.6	134.2 Å²	134.2	75%	0.748	77%	0.771	S	S	*	*				143.4	137.2	116.8	0	0	0	0	0	113.2
2811	S	29.9	Very low	29.5	Very low	106.2 Å²	106.2	133.8 Å²	133.8	74%	0.743	77%	0.767	S	S	*	*				118.5	127.7	120.2	-139.5	0	0	0	0	115.1
2812	R	28.9	Very low	29.6	Very low	228.4 Å²	228.4	135.1 Å²	135.1	86%	0.862	77%	0.765	S	S	*	*			trans	78.6	120.2	149.8	-60.7	169.5	-174.7	-165	-0.1	112.8
2813	K	31.4	Very low	29.7	Very low	189.2 Å²	189.2	137.5 Å²	137.5	82%	0.823	77%	0.77	S	S	*	*				146.8	124.3	96.1	-89.3	166.9	-178.2	-176.2	0	108.8	D3198	K2813-D3198 IonicContact NZ-OD2 2.99Å; K2813-D3198 PolarHBondContact NZ-OD2 3.35Å
2814	S	29.7	Very low	29.7	Very low	94.2 Å²	94.2	134.5 Å²	134.5	66%	0.659	77%	0.766	S	S	*	*			trans	88.3	121.8	130.5	159.6	0	0	0	0	112.3
2815	D	31.5	Very low	29.9	Very low	136 Å²	136	140.1 Å²	140.1	73%	0.727	78%	0.777	S	S	*	*				125.7	133.9	54.3	-76.9	-50.2	0	0	0	111.9
2816	Q	34.9	Very low	29.9	Very low	167 Å²	167	138.8 Å²	138.8	78%	0.78	77%	0.773	S	S	*	*				118.1	113.8	105.9	-96.2	170.5	2.5	0	0	115.8
2817	H	32.7	Very low	30.3	Very low	153.4 Å²	153.4	141.1 Å²	141.1	71%	0.71	77%	0.774	S	S	*	*				93	135	129.5	-90.8	-111.6	0	0	0	115.4
2818	H	34	Very low	30.5	Very low	165.4 Å²	165.4	138.6 Å²	138.6	77%	0.766	76%	0.76	S	S	*	*			trans	80.6	126.8	133.7	-68.2	-61.5	0	0	0	116.9
2819	S	29	Very low	30.7	Very low	86.6 Å²	86.6	140 Å²	140	61%	0.606	76%	0.759	S	S	*	*			cis	120.4	139.7	47.6	178.8	0	0	0	0	115.6
2820	Y	31.1	Very low	30.8	Very low	211 Å²	211	141 Å²	141	83%	0.827	75%	0.747	S	S	*	*			trans	69.6	133.7	151.3	-79.2	-89.7	0	0	0	118
2821	C	25.8	Very low	31.2	Very low	111.6 Å²	111.6	143.3 Å²	143.3	75%	0.754	75%	0.747	S	S	*	*				50.2	142.4	125.8	-73.6	0	0	0	0	115.3	N2823	C2821-N2823 PolarHBondContact O-N 3.04Å
2822	N	29.2	Very low	31.2	Very low	140.6 Å²	140.6	144.6 Å²	144.6	75%	0.752	75%	0.746	S	S	*	*				102.7	129.4	126	-153.6	4.9	0	0	0	115.9	G2824	N2822-G2824 PolarHBondContact OD1-N 2.87Å
2823	N	32.9	Very low	31.4	Very low	151.8 Å²	151.8	139.4 Å²	139.4	81%	0.812	74%	0.739	S	S	*	*			trans	-128.9	129	150.2	-80.6	-34.1	0	0	0	114.2	C2821 M2825	C2821-N2823 PolarHBondContact O-N 3.04Å; N2823-M2825 PolarHBondContact O-N 3.28Å
2824	G	29.5	Very low	31.5	Very low	72 Å²	72	136.4 Å²	136.4	74%	0.742	73%	0.732	S	S	*	*			trans	-160.9	115.1	161.5	0	0	0	0	0	113.8	N2822	N2822-G2824 PolarHBondContact OD1-N 2.87Å
2825	M	29	Very low	31.6	Very low	183.4 Å²	183.4	139.1 Å²	139.1	90%	0.903	74%	0.739	S	S	*	*			trans	74.7	121.6	144.8	-95.6	-170.9	-173.9	0	0	114.7	N2823 M2827	N2823-M2825 PolarHBondContact O-N 3.28Å; M2825-M2827 PolarHBondContact O-N 3.34Å
2826	M	28.2	Very low	31.5	Very low	153.6 Å²	153.6	137 Å²	137	76%	0.757	74%	0.735	S	S	*	*				-115.4	131.1	105.3	-169.7	-175	-130.7	0	0	113	I2828	M2826-I2828 HydrophobicContact CE-CD1 3.8Å; M2826-I2828 HydrophobicContact CG-CD1 4.2Å; M2826-I2828 HydrophobicContact CG-CG1 4.11Å; M2826-I2828 HydrophobicContact SD-CD1 3.8Å; M2826-I2828 HydrophobicContact SD-CG1 4.28Å
2827	M	34.8	Very low	31.3	Very low	154 Å²	154	138.4 Å²	138.4	76%	0.759	74%	0.739	S	S	*	*			trans	-157.6	114.7	147.3	-76.8	-63.7	-86.8	0	0	112.6	M2825 V2829 Q3095	M2825-M2827 PolarHBondContact O-N 3.34Å; M2827-V2829 HydrophobicContact CE-CG2 4.24Å; M2827-V2829 HydrophobicContact SD-CG2 4.19Å; M2827-Q3095 PolarHBondContact O-NE2 3.13Å
2828	I	32.6	Very low	31.3	Very low	115.6 Å²	115.6	140.2 Å²	140.2	59%	0.593	75%	0.748	S	S	*	*			trans	-120	122.1	137.5	-73.1	166.4	0	0	0	109.6	M2826 K2830 M3098 N3099	M2826-I2828 HydrophobicContact CE-CD1 3.8Å; M2826-I2828 HydrophobicContact CG-CD1 4.2Å; M2826-I2828 HydrophobicContact CG-CG1 4.11Å; M2826-I2828 HydrophobicContact SD-CD1 3.8Å; M2826-I2828 HydrophobicContact SD-CG1 4.28Å; I2828-K2830 HydrophobicContact CG2-CG 3.99Å; I2828-M3098 VanDerWaalsContact CG2-C 3.41Å; I2828-M3098 WeakPolarHBondContact CG2-O 3.47Å; I2828-N3099 PolarHBondContact O-ND2 3.18Å; I2828-N3099 PolarHBondContact O-OD1 3.21Å
2829	V	33	Very low	31	Very low	119.2 Å²	119.2	137.4 Å²	137.4	72%	0.722	75%	0.746	S	S	*	*			trans	-122.1	128.2	154.7	179.2	0	0	0	0	110.7	M2827	M2827-V2829 HydrophobicContact CE-CG2 4.24Å; M2827-V2829 HydrophobicContact SD-CG2 4.19Å
2830	K	31.8	Very low	31.2	Very low	148.8 Å²	148.8	138.7 Å²	138.7	65%	0.647	76%	0.756	S	S	*	*			trans	-105.9	148.7	164.7	-80.7	152.8	-179.4	172.5	0	110.7	D2678 T2679 N2680 I2828 N3097 N3099 L3101	D2678-K2830 WeakPolarHBondContact O-CD 3.15Å; T2679-K2830 WeakPolarHBondContact O-CD 3.37Å; T2679-K2830 WeakPolarHBondContact O-CE 2.98Å; T2679-K2830 WeakPolarHBondContact O-CG 3.41Å; N2680-K2830 WeakPolarHBondContact O-CE 3.43Å; I2828-K2830 HydrophobicContact CG2-CG 3.99Å; K2830-N3097 WeakPolarHBondContact CA-OD1 3.32Å; K2830-N3099 HydrophobicContact CD-CB 3.57Å; K2830-N3099 WeakPolarHBondContact CE-O 2.98Å; K2830-N3099 HydrophobicContact CG-CB 3.59Å; K2830-N3099 PolarHBondContact NZ-O 2.94Å; K2830-L3101 HydrophobicContact CD-CD1 4.37Å
2831	T	34.4	Very low	31	Very low	122.2 Å²	122.2	136.4 Å²	136.4	75%	0.75	76%	0.757	S	S	*	*				157.1	134.6	107.9	50.2	0	0	0	0	113.9	V2833	T2831-V2833 HydrophobicContact CG2-CG2 3.86Å
2832	N	30.1	Very low	31.1	Very low	133.2 Å²	133.2	136.2 Å²	136.2	71%	0.712	76%	0.758	S	S	*	*			trans	-112	144.6	152.5	-168.4	17	0	0	0	111	N2834	N2832-N2834 VanDerWaalsContact OD1-CG 3.3Å; N2832-N2834 PolarHBondContact OD1-N 3.01Å; N2832-N2834 PolarHBondContact OD1-ND2 3.49Å; N2832-N2834 PolarHBondContact OD1-OD1 2.82Å
2833	V	34	Very low	31.1	Very low	119.2 Å²	119.2	134.7 Å²	134.7	72%	0.722	76%	0.758	S	S	*	*			trans	-165.1	127.1	152.4	155.8	0	0	0	0	109.7	T2831	T2831-V2833 HydrophobicContact CG2-CG2 3.86Å
2834	N	32.5	Very low	30.9	Very low	126 Å²	126	138.9 Å²	138.9	67%	0.674	76%	0.762	S	S	*	*			trans	15	124.6	142.7	-64.1	-18.6	0	0	0	116.6	N2832	N2832-N2834 VanDerWaalsContact OD1-CG 3.3Å; N2832-N2834 PolarHBondContact OD1-N 3.01Å; N2832-N2834 PolarHBondContact OD1-ND2 3.49Å; N2832-N2834 PolarHBondContact OD1-OD1 2.82Å
2835	D	32.4	Very low	30.7	Very low	151.2 Å²	151.2	140.5 Å²	140.5	81%	0.809	76%	0.763	S	S	*	*				-124.9	149.4	126.7	-87	-51.1	0	0	0	112.4	K2837	D2835-K2837 PolarHBondContact O-N 3.42Å
2836	S	29.5	Very low	30.6	Very low	92.2 Å²	92.2	138.7 Å²	138.7	65%	0.645	76%	0.757	S	S	*	*				174.5	120.1	72.1	102.6	0	0	0	0	115.4	Q2838	S2836-Q2838 PolarHBondContact O-N 3.08Å
2837	K	31.5	Very low	30.5	Very low	195.8 Å²	195.8	135.5 Å²	135.5	85%	0.851	75%	0.749	S	S	*	*			trans	48.8	112.4	151.6	-57.6	171	-175.4	171.1	0	117.3	D2835	D2835-K2837 PolarHBondContact O-N 3.42Å
2838	Q	31.3	Very low	30.2	Very low	191.8 Å²	191.8	136.7 Å²	136.7	90%	0.896	75%	0.753	S	S	*	*				-132	149.9	117.1	-110.5	170.9	-0.7	0	0	112.2	S2836	S2836-Q2838 PolarHBondContact O-N 3.08Å
2839	S	28.8	Very low	29.9	Very low	105.8 Å²	105.8	134.3 Å²	134.3	74%	0.74	76%	0.756	S	S	*	*			trans	-72.5	142.9	172.7	55.6	0	0	0	0	114.7
2840	S	32.2	Very low	29.8	Very low	114.2 Å²	114.2	136.6 Å²	136.6	80%	0.799	76%	0.764	S	S	*	*			trans	-150.9	150.7	155.2	-78.4	0	0	0	0	111.6	S2842	S2840-S2842 PolarHBondContact O-N 2.83Å
2841	N	28.5	Very low	29.7	Very low	161.4 Å²	161.4	137.2 Å²	137.2	86%	0.863	77%	0.769	S	S	*	*			trans	-34.4	129.2	170.9	-60.1	-20.6	0	0	0	113.8	S2843	N2841-S2843 PolarHBondContact O-N 3.42Å
2842	S	28.2	Very low	29.5	Very low	108.8 Å²	108.8	136.3 Å²	136.3	76%	0.761	77%	0.767	S	S	*	*				159.3	108.7	129.2	-176	0	0	0	0	112.6	S2840 R2844	S2840-S2842 PolarHBondContact O-N 2.83Å; S2842-R2844 PolarHBondContact O-N 2.98Å
2843	S	28.6	Very low	29.6	Very low	108.6 Å²	108.6	136.8 Å²	136.8	76%	0.759	77%	0.765	S	S	*	*			trans	-1.5	115.2	141.4	37.6	0	0	0	0	112.8	N2841	N2841-S2843 PolarHBondContact O-N 3.42Å
2844	R	28.4	Very low	29.4	Very low	239.2 Å²	239.2	136.3 Å²	136.3	90%	0.903	77%	0.767	S	S	*	*			trans	-175.1	110.9	143.7	-150.2	169.3	170.3	154.2	2.5	112.2	S2842	S2842-R2844 PolarHBondContact O-N 2.98Å
2845	S	25.6	Very low	29.3	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	77%	0.769	S	S	*	*			trans	-112.6	145.6	166.2	-57.3	0	0	0	0	110.4
2846	N	25.8	Very low	29.1	Very low	145.4 Å²	145.4	139.9 Å²	139.9	78%	0.778	77%	0.77	S	S	*	*			trans	71.6	131	147	-119.1	11.9	0	0	0	118.4
2847	S	27	Very low	29	Very low	86.8 Å²	86.8	143 Å²	143	61%	0.607	78%	0.778	S	S	*	*				140.5	134.7	120.8	59.1	0	0	0	0	116.5
2848	Q	29.1	Very low	29	Very low	179 Å²	179	139.1 Å²	139.1	84%	0.836	77%	0.771	S	S	*	*			trans	53	141.4	159.4	-50.8	-161.2	-1.8	0	0	117.8	Y2667	Y2667-Q2848 VanDerWaalsContact C-CD 3.44Å; Y2667-Q2848 VanDerWaalsContact N-OE1 3.08Å; Y2667-Q2848 VanDerWaalsContact O-CD 3.3Å; Y2667-Q2848 PolarHBondContact O-NE2 3.19Å; Y2667-Q2848 PolarHBondContact O-OE1 2.84Å
2849	G	25.8	Very low	28.7	Very low	63.6 Å²	63.6	138.3 Å²	138.3	66%	0.656	77%	0.77	S	S	*	*			cis	166.4	148.3	26.4	0	0	0	0	0	113.4	F2665	F2665-G2849 WeakPolarHBondContact CE1-O 2.87Å; F2665-G2849 WeakPolarHBondContact CZ-O 3.44Å
2850	L	30.9	Very low	28.7	Very low	168.8 Å²	168.8	140.2 Å²	140.2	88%	0.884	77%	0.77	S	S	*	*			trans	57.7	113.6	162.4	-59.6	175.4	0	0	0	114.8
2851	Q	29.4	Very low	28.6	Very low	161 Å²	161	142.7 Å²	142.7	75%	0.752	77%	0.769	S	S	*	*				-147.5	136.3	122.6	-108.5	171.4	-22.9	0	0	112	R2662 D2663 R2664 F2665	R2662-Q2851 VanDerWaalsContact CA-NE2 3.25Å; D2663-Q2851 WeakPolarHBondContact O-CG 3.28Å; D2663-Q2851 PolarHBondContact O-NE2 3.5Å; D2663-Q2851 VanDerWaalsContact O-NE2 3.12Å; R2664-Q2851 HydrophobicContact CB-CB 4.43Å; R2664-Q2851 VanDerWaalsContact CZ-OE1 3.22Å; F2665-Q2851 HydrophobicContact CD2-CB 4.2Å; F2665-Q2851 HydrophobicContact CE2-CB 4.34Å
2852	S	29.8	Very low	28.7	Very low	102.4 Å²	102.4	140.8 Å²	140.8	72%	0.716	76%	0.764	S	S	*	*				-127.9	145.1	128.8	-168.9	0	0	0	0	113.2	P2661 R2664	P2661-S2852 WeakPolarHBondContact O-CB 3.02Å; P2661-S2852 PolarHBondContact O-OG 2.93Å; R2664-S2852 PolarHBondContact NH2-O 3.43Å; R2664-S2852 VanDerWaalsContact NH2-O 3.11Å
2853	Q	32.1	Very low	28.6	Very low	143.8 Å²	143.8	140.8 Å²	140.8	67%	0.672	76%	0.759	S	S	*	*			trans	76.6	126.3	176.6	-67.1	-174.3	1.3	0	0	114.7	R2662 P2752	R2662-Q2853 HydrophobicContact CG-CG 3.8Å; P2752-Q2853 HydrophobicContact CB-CG 4.31Å
2854	S	30.9	Very low	28.6	Very low	108.8 Å²	108.8	140.7 Å²	140.7	76%	0.761	76%	0.758	S	S	*	*			trans	-152.2	118.2	143.6	-79.6	0	0	0	0	111.7	P2755 R2856	P2755-S2854 WeakPolarHBondContact CB-O 3.3Å; S2854-R2856 PolarHBondContact O-N 3.01Å
2855	N	30.4	Very low	28.7	Very low	134.8 Å²	134.8	139 Å²	139	72%	0.721	75%	0.752	S	S	*	*			trans	-82.2	116	174.3	-68.8	-25.3	0	0	0	110.7	P2752 S2753	P2752-N2855 WeakPolarHBondContact CA-OD1 3.36Å; S2753-N2855 PolarHBondContact N-OD1 2.95Å; S2753-N2855 WeakPolarHBondContact O-CA 3.33Å; S2753-N2855 PolarHBondContact O-OD1 3.27Å; S2753-N2855 VanDerWaalsContact O-OD1 3.08Å
2856	R	27.8	Very low	28.9	Very low	218.8 Å²	218.8	138.9 Å²	138.9	83%	0.826	75%	0.75	S	S	*	*			trans	-144.4	104.6	146.1	-95.1	-178.8	86.6	176.8	0.1	109.9	S2854 T2858	S2854-R2856 PolarHBondContact O-N 3.01Å; R2856-T2858 WeakPolarHBondContact CG-OG1 3.26Å; R2856-T2858 PolarHBondContact NE-OG1 3.44Å; R2856-T2858 PolarHBondContact O-N 3.4Å
2857	L	27.1	Very low	29.1	Very low	156.4 Å²	156.4	137 Å²	137	82%	0.819	74%	0.744	S	S	*	*			trans	-36.1	108.4	135.1	-68.4	169.9	0	0	0	110.5	S2753	S2753-L2857 PolarHBondContact OG-N 3.21Å
2858	T	31.1	Very low	29.4	Very low	114.2 Å²	114.2	138.9 Å²	138.9	70%	0.701	75%	0.747	S	S	*	*			trans	-144.9	122.1	138.9	31.1	0	0	0	0	108.5	R2856 I2860	R2856-T2858 WeakPolarHBondContact CG-OG1 3.26Å; R2856-T2858 PolarHBondContact NE-OG1 3.44Å; R2856-T2858 PolarHBondContact O-N 3.4Å; T2858-I2860 PolarHBondContact O-N 3.5Å
2859	M	26	Very low	29.5	Very low	176.4 Å²	176.4	138.2 Å²	138.2	87%	0.869	74%	0.743	S	S	*	*			trans	-68.6	138.9	169.4	-59.6	-165.3	-55.9	0	0	109.6	E2861	M2859-E2861 HydrophobicContact CE-CG 4.06Å; M2859-E2861 PolarHBondContact O-N 3.3Å
2860	I	28.8	Very low	29.9	Very low	145.8 Å²	145.8	142.2 Å²	142.2	75%	0.748	75%	0.748	S	S	*	*			trans	-111.5	112.3	146.9	-67.3	172.9	0	0	0	108	T2858 T2862	T2858-I2860 PolarHBondContact O-N 3.5Å; I2860-T2862 HydrophobicContact CG2-CG2 4.11Å; I2860-T2862 PolarHBondContact O-N 3.08Å
2861	E	28.7	Very low	30	Very low	165 Å²	165	141 Å²	141	77%	0.771	74%	0.741	S	S	*	*			trans	-78.9	116.8	172.2	-151	177	163.1	0	0	111.2	M2859 T2863	M2859-E2861 HydrophobicContact CE-CG 4.06Å; M2859-E2861 PolarHBondContact O-N 3.3Å; E2861-T2863 VanDerWaalsContact C-N 3.3Å; E2861-T2863 HydrophobicContact CB-CG2 4.07Å; E2861-T2863 VanDerWaalsContact CD-OG1 3.26Å; E2861-T2863 HydrophobicContact CG-CG2 4.15Å; E2861-T2863 WeakPolarHBondContact CG-OG1 3.01Å; E2861-T2863 PolarHBondContact O-N 2.84Å; E2861-T2863 PolarHBondContact OE1-OG1 2.98Å
2862	T	30.3	Very low	30.2	Very low	123.2 Å²	123.2	140.6 Å²	140.6	76%	0.756	74%	0.742	S	S	*	*			trans	-87.7	90.9	167.6	54.3	0	0	0	0	111.4	I2860	I2860-T2862 HydrophobicContact CG2-CG2 4.11Å; I2860-T2862 PolarHBondContact O-N 3.08Å
2863	T	27.8	Very low	30.3	Very low	108.6 Å²	108.6	140.5 Å²	140.5	67%	0.666	74%	0.74	S	S	*	*			trans	-154.6	114.7	138.1	51.7	0	0	0	0	113.8	E2861 R2865	E2861-T2863 VanDerWaalsContact C-N 3.3Å; E2861-T2863 HydrophobicContact CB-CG2 4.07Å; E2861-T2863 VanDerWaalsContact CD-OG1 3.26Å; E2861-T2863 HydrophobicContact CG-CG2 4.15Å; E2861-T2863 WeakPolarHBondContact CG-OG1 3.01Å; E2861-T2863 PolarHBondContact O-N 2.84Å; E2861-T2863 PolarHBondContact OE1-OG1 2.98Å; T2863-R2865 PolarHBondContact O-N 3.08Å
2864	S	28.3	Very low	30.2	Very low	105.2 Å²	105.2	140.5 Å²	140.5	74%	0.736	74%	0.744	S	S	*	*			trans	175.4	121.7	132.8	47	0	0	0	0	113.6	C2866	S2864-C2866 PolarHBondContact O-N 3.31Å
2865	R	29.6	Very low	30.4	Very low	204.6 Å²	204.6	142.6 Å²	142.6	77%	0.772	75%	0.745	S	S	*	*			trans	-78.8	108.4	152.3	-60.2	179.1	-174.6	-159	0.9	112.7	T2863 V2867	T2863-R2865 PolarHBondContact O-N 3.08Å; R2865-V2867 VanDerWaalsContact C-N 3.32Å; R2865-V2867 HydrophobicContact CB-CG2 4.26Å; R2865-V2867 PolarHBondContact O-N 3.36Å
2866	C	30.4	Very low	30.4	Very low	104.8 Å²	104.8	140.4 Å²	140.4	71%	0.708	74%	0.74	S	S	*	*			trans	-104.9	126.4	135.8	-63.1	0	0	0	0	110.9	S2864 D2868	S2864-C2866 PolarHBondContact O-N 3.31Å; C2866-D2868 VanDerWaalsContact C-N 3.27Å; C2866-D2868 PolarHBondContact O-N 3.42Å
2867	V	30.6	Very low	30.6	Very low	105.4 Å²	105.4	136.7 Å²	136.7	64%	0.639	74%	0.737	S	S	*	*			trans	-117.4	101	176.1	178.3	0	0	0	0	108.7	R2865 H2869	R2865-V2867 VanDerWaalsContact C-N 3.32Å; R2865-V2867 HydrophobicContact CB-CG2 4.26Å; R2865-V2867 PolarHBondContact O-N 3.36Å; V2867-H2869 VanDerWaalsContact C-N 3.26Å; V2867-H2869 WeakPolarHBondContact CG1-NE2 3.12Å; V2867-H2869 PolarHBondContact O-N 3.36Å; V2867-H2869 PolarHBondContact O-ND1 3.24Å
2868	D	33.1	Very low	30.9	Very low	127.2 Å²	127.2	135.1 Å²	135.1	68%	0.68	73%	0.734	S	S	*	*			trans	-102.9	108.7	173.7	-72.6	-49.4	0	0	0	110	C2866 I2870	C2866-D2868 VanDerWaalsContact C-N 3.27Å; C2866-D2868 PolarHBondContact O-N 3.42Å; D2868-I2870 VanDerWaalsContact C-N 3.3Å; D2868-I2870 HydrophobicContact CB-CD1 4.46Å; D2868-I2870 HydrophobicContact CB-CG1 4.05Å; D2868-I2870 PolarHBondContact O-N 3.29Å
2869	H	31.5	Very low	30.8	Very low	163 Å²	163	140.4 Å²	140.4	76%	0.755	74%	0.741	S	S	*	*			trans	-76.5	100.2	151	-70.5	45.4	0	0	0	111.6	V2867 I2871	V2867-H2869 VanDerWaalsContact C-N 3.26Å; V2867-H2869 WeakPolarHBondContact CG1-NE2 3.12Å; V2867-H2869 PolarHBondContact O-N 3.36Å; V2867-H2869 PolarHBondContact O-ND1 3.24Å; H2869-I2871 HydrophobicContact CB-CG1 4.24Å; H2869-I2871 PolarHBondContact O-N 3.1Å
2870	I	32.5	Very low	31.1	Very low	147.4 Å²	147.4	142.8 Å²	142.8	76%	0.756	74%	0.74	S	S	*	*			trans	-84.8	112.2	157.4	-59.8	179.9	0	0	0	108.1	D2868 I2872	D2868-I2870 VanDerWaalsContact C-N 3.3Å; D2868-I2870 HydrophobicContact CB-CD1 4.46Å; D2868-I2870 HydrophobicContact CB-CG1 4.05Å; D2868-I2870 PolarHBondContact O-N 3.29Å; I2870-I2872 HydrophobicContact CG2-CB 4.31Å; I2870-I2872 HydrophobicContact CG2-CD1 4.27Å; I2870-I2872 HydrophobicContact CG2-CG1 4.13Å; I2870-I2872 PolarHBondContact O-N 3.14Å
2871	I	33.6	Very low	31.4	Very low	144.8 Å²	144.8	141.6 Å²	141.6	74%	0.743	74%	0.739	S	S	*	*			trans	-53.5	102.1	170.6	-54.9	172.9	0	0	0	110.1	H2869 P2873	H2869-I2871 HydrophobicContact CB-CG1 4.24Å; H2869-I2871 PolarHBondContact O-N 3.1Å; I2871-P2873 WeakPolarHBondContact O-CD 3.17Å
2872	I	34.5	Very low	31.4	Very low	151.2 Å²	151.2	141.6 Å²	141.6	78%	0.775	74%	0.74	S	S	*	*			trans	-85.7	121.3	149.1	-60.7	173.7	0	0	0	107.9	I2870 N2874	I2870-I2872 HydrophobicContact CG2-CB 4.31Å; I2870-I2872 HydrophobicContact CG2-CD1 4.27Å; I2870-I2872 HydrophobicContact CG2-CG1 4.13Å; I2870-I2872 PolarHBondContact O-N 3.14Å; I2872-N2874 PolarHBondContact O-N 3.41Å; I2872-N2874 VanDerWaalsContact O-N 3.16Å
2873	P	31.6	Very low	31.5	Very low	101.4 Å²	101.4	142.4 Å²	142.4	66%	0.658	74%	0.738	S	S	*	*			trans	-85.6	134.5	160.6	21	-18	0	0	0	112.1	I2871 I2875	I2871-P2873 WeakPolarHBondContact O-CD 3.17Å; P2873-I2875 PolarHBondContact O-N 3.15Å; P2873-I2875 VanDerWaalsContact O-N 3.08Å
2874	N	29.2	Very low	31.6	Very low	143.4 Å²	143.4	143.9 Å²	143.9	77%	0.767	74%	0.742	S	S	*	*			trans	-82.2	123.2	162	-138.9	-4.8	0	0	0	111.9	I2872 S2876	I2872-N2874 PolarHBondContact O-N 3.41Å; I2872-N2874 VanDerWaalsContact O-N 3.16Å; N2874-S2876 PolarHBondContact O-N 3.06Å; N2874-S2876 PolarHBondContact O-OG 3.09Å; N2874-S2876 PolarHBondContact OD1-N 3.17Å; N2874-S2876 VanDerWaalsContact OD1-N 3.15Å; N2874-S2876 PolarHBondContact OD1-OG 3.04Å
2875	I	34.7	Very low	31.8	Very low	153.8 Å²	153.8	145.6 Å²	145.6	79%	0.789	74%	0.743	S	S	*	*			trans	-101.3	100.7	164.8	-15.4	178.4	0	0	0	109	P2873 D2877	P2873-I2875 PolarHBondContact O-N 3.15Å; P2873-I2875 VanDerWaalsContact O-N 3.08Å; I2875-D2877 HydrophobicContact CG2-CB 4.25Å
2876	S	31	Very low	31.8	Very low	87.2 Å²	87.2	143.4 Å²	143.4	61%	0.61	74%	0.741	S	S	*	*			trans	-47.9	115.6	149.2	-64.5	0	0	0	0	113.3	N2874 T2878	N2874-S2876 PolarHBondContact O-N 3.06Å; N2874-S2876 PolarHBondContact O-OG 3.09Å; N2874-S2876 PolarHBondContact OD1-N 3.17Å; N2874-S2876 VanDerWaalsContact OD1-N 3.15Å; N2874-S2876 PolarHBondContact OD1-OG 3.04Å; S2876-T2878 PolarHBondContact O-N 2.64Å; S2876-T2878 PolarHBondContact O-OG1 2.73Å
2877	D	31.7	Very low	31.7	Very low	142.4 Å²	142.4	143.7 Å²	143.7	76%	0.761	74%	0.743	S	S	*	*			trans	-63.5	129.7	167.9	-99.6	-50.5	0	0	0	113.5	I2875 R2879	I2875-D2877 HydrophobicContact CG2-CB 4.25Å; D2877-R2879 VanDerWaalsContact CG-NE 3.3Å; D2877-R2879 IonicContact OD1-CZ 3.41Å; D2877-R2879 IonicContact OD1-NE 2.66Å; D2877-R2879 PolarHBondContact OD1-NE 3.25Å; D2877-R2879 IonicContact OD1-NH2 3.41Å; D2877-R2879 VanDerWaalsContact OD2-CD 3.29Å; D2877-R2879 WeakPolarHBondContact OD2-CD 3.43Å; D2877-R2879 IonicContact OD2-CZ 3.82Å; D2877-R2879 IonicContact OD2-NE 3.2Å; D2877-R2879 PolarHBondContact OD2-NE 3.12Å
2878	T	33	Very low	31.8	Very low	122.4 Å²	122.4	145.1 Å²	145.1	75%	0.751	75%	0.746	S	S	*	*			trans	176.3	87.6	130.6	32.3	0	0	0	0	115.9	S2876	S2876-T2878 PolarHBondContact O-N 2.64Å; S2876-T2878 PolarHBondContact O-OG1 2.73Å
2879	R	30.4	Very low	31.8	Very low	224.6 Å²	224.6	145.5 Å²	145.5	85%	0.848	75%	0.747	S	S	*	*			trans	-138.9	111.8	152.4	-81.4	174.8	-157.6	-146.8	-1.7	113.8	D2877 V2881	D2877-R2879 VanDerWaalsContact CG-NE 3.3Å; D2877-R2879 IonicContact OD1-CZ 3.41Å; D2877-R2879 IonicContact OD1-NE 2.66Å; D2877-R2879 PolarHBondContact OD1-NE 3.25Å; D2877-R2879 IonicContact OD1-NH2 3.41Å; D2877-R2879 VanDerWaalsContact OD2-CD 3.29Å; D2877-R2879 WeakPolarHBondContact OD2-CD 3.43Å; D2877-R2879 IonicContact OD2-CZ 3.82Å; D2877-R2879 IonicContact OD2-NE 3.2Å; D2877-R2879 PolarHBondContact OD2-NE 3.12Å; R2879-V2881 PolarHBondContact O-N 2.77Å
2880	R	30.9	Very low	31.9	Very low	226.8 Å²	226.8	144.7 Å²	144.7	86%	0.856	75%	0.748	S	S	*	*				163.3	100.2	93.5	-127.8	-175.6	-175.5	-151.2	2.4	112.7	Q2882	R2880-Q2882 VanDerWaalsContact CZ-OE1 3.3Å; R2880-Q2882 VanDerWaalsContact NH2-OE1 3.12Å; R2880-Q2882 PolarHBondContact O-N 3.42Å
2881	V	34.8	Very low	32	Very low	120.8 Å²	120.8	145.5 Å²	145.5	73%	0.732	75%	0.749	S	S	*	*			trans	-92.1	118.9	154.4	178.9	0	0	0	0	109	R2879 I2883	R2879-V2881 PolarHBondContact O-N 2.77Å; V2881-I2883 HydrophobicContact CG1-CD1 4.03Å; V2881-I2883 HydrophobicContact CG1-CG1 3.89Å
2882	Q	30.5	Very low	32.2	Very low	166.2 Å²	166.2	143.9 Å²	143.9	78%	0.777	75%	0.748	S	S	*	*			trans	-158.3	77.8	144.9	-150.4	179.7	-4.8	0	0	112.1	R2880	R2880-Q2882 VanDerWaalsContact CZ-OE1 3.3Å; R2880-Q2882 VanDerWaalsContact NH2-OE1 3.12Å; R2880-Q2882 PolarHBondContact O-N 3.42Å
2883	I	32.1	Very low	32	Very low	139 Å²	139	143.8 Å²	143.8	71%	0.713	75%	0.746	S	S	*	*			trans	-98.2	121.7	158.6	-55.4	168.8	0	0	0	108.8	V2881 N2885	V2881-I2883 HydrophobicContact CG1-CD1 4.03Å; V2881-I2883 HydrophobicContact CG1-CG1 3.89Å; I2883-N2885 HydrophobicContact CG2-CB 4.45Å; I2883-N2885 WeakPolarHBondContact CG2-OD1 3.4Å
2884	N	30.1	Very low	32.3	Very low	141.2 Å²	141.2	146.7 Å²	146.7	76%	0.755	75%	0.751	S	S	*	*			trans	-121.1	105.9	151.5	-148.2	27.1	0	0	0	111.9
2885	N	31	Very low	32.6	Very low	140.4 Å²	140.4	150.2 Å²	150.2	75%	0.751	75%	0.753	S	S	*	*			trans	-104.7	124.1	157.3	-66.8	-28.3	0	0	0	110.1	I2883	I2883-N2885 HydrophobicContact CG2-CB 4.45Å; I2883-N2885 WeakPolarHBondContact CG2-OD1 3.4Å
2886	Q	31.1	Very low	32.6	Very low	159 Å²	159	151.8 Å²	151.8	74%	0.743	75%	0.75	S	S	*	*			trans	174.8	93.6	134.5	-151.4	69.5	56.4	0	0	113.1	L2888	Q2886-L2888 HydrophobicContact CG-CD1 3.97Å
2887	C	27.8	Very low	32.8	Very low	109.4 Å²	109.4	153.8 Å²	153.8	74%	0.739	75%	0.754	S	S	*	*			trans	-111.2	120.2	152.3	-154	0	0	0	0	111.6
2888	L	32.3	Very low	33	Very low	136.2 Å²	136.2	153.2 Å²	153.2	71%	0.713	76%	0.756	S	S	*	*			trans	-154.4	135.5	135	-97.3	151.7	0	0	0	109.4	Q2886	Q2886-L2888 HydrophobicContact CG-CD1 3.97Å
2889	I	34.3	Very low	33.2	Very low	135 Å²	135	153.1 Å²	153.1	69%	0.692	76%	0.757	S	S	*	*			trans	-131.5	130.9	165.5	-62.7	166.7	0	0	0	109.3	E2891	I2889-E2891 HydrophobicContact CG2-CG 4.38Å; I2889-E2891 PolarHBondContact O-N 3.16Å
2890	D	33.6	Very low	33.3	Very low	145.4 Å²	145.4	152 Å²	152	78%	0.778	76%	0.755	S	S	*	*			trans	-89.6	108.2	159.1	-65.8	-49.1	0	0	0	113.1	P2892	D2890-P2892 WeakPolarHBondContact O-CD 3.33Å
2891	E	33.7	Very low	33.6	Very low	165.2 Å²	165.2	148.1 Å²	148.1	77%	0.772	75%	0.749	S	S	*	*			trans	-78.7	134.9	149.2	-88.1	-74.6	147.7	0	0	109	I2889 M2893	I2889-E2891 HydrophobicContact CG2-CG 4.38Å; I2889-E2891 PolarHBondContact O-N 3.16Å; E2891-M2893 PolarHBondContact O-N 3.47Å; E2891-M2893 WeakPolarHBondContact OE2-CB 3.47Å; E2891-M2893 PolarHBondContact OE2-N 3.16Å
2892	P	37.3	Very low	33.6	Very low	111 Å²	111	146.2 Å²	146.2	72%	0.721	74%	0.739	S	S	*	*				-121.6	138.7	124.3	35.3	-26.9	0	0	0	115	D2890 E2894	D2890-P2892 WeakPolarHBondContact O-CD 3.33Å; P2892-E2894 PolarHBondContact O-N 3.28Å
2893	M	30.6	Very low	33.7	Very low	149.6 Å²	149.6	146 Å²	146	74%	0.737	74%	0.738	S	S	*	*			trans	-61.4	111.9	152.6	174.9	175.1	55.8	0	0	112.5	E2891 R2895	E2891-M2893 PolarHBondContact O-N 3.47Å; E2891-M2893 WeakPolarHBondContact OE2-CB 3.47Å; E2891-M2893 PolarHBondContact OE2-N 3.16Å; M2893-R2895 PolarHBondContact O-N 3.43Å
2894	E	38.9	Very low	33.8	Very low	162.6 Å²	162.6	146.6 Å²	146.6	76%	0.76	74%	0.737	S	S	*	*			trans	-52.7	136.8	165.3	-66	-169.6	133.9	0	0	113	P2892 Y2896	P2892-E2894 PolarHBondContact O-N 3.28Å; E2894-Y2896 HydrophobicContact CB-CD2 4Å; E2894-Y2896 HydrophobicContact CB-CE2 4.06Å; E2894-Y2896 HydrophobicContact CG-CD2 4.26Å; E2894-Y2896 HydrophobicContact CG-CE2 4.21Å; E2894-Y2896 PolarHBondContact O-N 3.14Å; E2894-Y2896 VanDerWaalsContact O-N 3.12Å; E2894-Y2896 WeakPolarHBondContact OE1-CE2 3.21Å; E2894-Y2896 PolarHBondContact OE1-OH 2.95Å; E2894-Y2896 WeakPolarHBondContact OE2-CD2 3.29Å; E2894-Y2896 WeakPolarHBondContact OE2-CE2 3.19Å
2895	R	35.6	Very low	34.1	Very low	216.4 Å²	216.4	147.7 Å²	147.7	82%	0.817	74%	0.738	S	S	*	*			trans	-97.9	117	173.4	-63.1	-176.5	-177.2	-154.1	-0	110	M2893 D2897	M2893-R2895 PolarHBondContact O-N 3.43Å; R2895-D2897 PolarHBondContact O-N 3.37Å
2896	Y	35	Very low	34.2	Very low	187.2 Å²	187.2	148 Å²	148	73%	0.734	74%	0.738	S	S	*	*			trans	-97.4	126.4	152.5	-84.8	-78.1	0	0	0	110.4	E2894 T2898 R3423	E2894-Y2896 HydrophobicContact CB-CD2 4Å; E2894-Y2896 HydrophobicContact CB-CE2 4.06Å; E2894-Y2896 HydrophobicContact CG-CD2 4.26Å; E2894-Y2896 HydrophobicContact CG-CE2 4.21Å; E2894-Y2896 PolarHBondContact O-N 3.14Å; E2894-Y2896 VanDerWaalsContact O-N 3.12Å; E2894-Y2896 WeakPolarHBondContact OE1-CE2 3.21Å; E2894-Y2896 PolarHBondContact OE1-OH 2.95Å; E2894-Y2896 WeakPolarHBondContact OE2-CD2 3.29Å; E2894-Y2896 WeakPolarHBondContact OE2-CE2 3.19Å; Y2896-T2898 PolarHBondContact O-N 3.03Å; Y2896-T2898 PolarHBondContact O-OG1 3.16Å; Y2896-R3423 VanDerWaalsContact CD1-CZ 3.47Å
2897	D	34.9	Very low	34.2	Very low	128.8 Å²	128.8	148.9 Å²	148.9	69%	0.689	74%	0.74	S	S	*	*			trans	-72.3	105.7	174.9	-62	-55.9	0	0	0	113.9	R2895 P2899 S3422 R3423	R2895-D2897 PolarHBondContact O-N 3.37Å; D2897-P2899 WeakPolarHBondContact O-CD 3.16Å; D2897-S3422 VanDerWaalsContact OD1-CB 3.28Å; D2897-S3422 WeakPolarHBondContact OD1-CB 3.46Å; D2897-R3423 PolarHBondContact O-NH1 3.25Å; D2897-R3423 WeakPolarHBondContact OD2-CD 3.46Å; D2897-R3423 WeakPolarHBondContact OD2-CG 3.35Å; D2897-R3423 IonicContact OD2-CZ 3.86Å; D2897-R3423 IonicContact OD2-NE 3.14Å; D2897-R3423 PolarHBondContact OD2-NE 2.76Å; D2897-R3423 VanDerWaalsContact OD2-NE 3.1Å; D2897-R3423 IonicContact OD2-NH1 3Å; D2897-R3423 PolarHBondContact OD2-NH1 3.29Å
2898	T	36.3	Very low	34.5	Very low	129.8 Å²	129.8	150.7 Å²	150.7	80%	0.796	74%	0.741	S	S	*	*			trans	-98.4	128.3	157.6	14.9	0	0	0	0	110.8	Y2896 Y2900	Y2896-T2898 PolarHBondContact O-N 3.03Å; Y2896-T2898 PolarHBondContact O-OG1 3.16Å; T2898-Y2900 PolarHBondContact O-N 3.19Å; T2898-Y2900 VanDerWaalsContact O-N 3.13Å
2899	P	36.6	Very low	34.4	Very low	120.2 Å²	120.2	151.4 Å²	151.4	78%	0.781	75%	0.746	S	S	*	*			trans	-81.6	113.3	176	5.4	4.1	0	0	0	111.8	D2897 I2901	D2897-P2899 WeakPolarHBondContact O-CD 3.16Å; P2899-I2901 PolarHBondContact O-N 3.09Å
2900	Y	31.5	Very low	34.1	Very low	202.6 Å²	202.6	150.2 Å²	150.2	80%	0.795	75%	0.749	S	S	*	*			trans	-72.9	114.6	163.2	-169.6	-106.5	0	0	0	112.4	T2898 P2902	T2898-Y2900 PolarHBondContact O-N 3.19Å; T2898-Y2900 VanDerWaalsContact O-N 3.13Å; Y2900-P2902 HydrophobicContact CD1-CB 4.38Å; Y2900-P2902 HydrophobicContact CD1-CG 4.23Å; Y2900-P2902 HydrophobicContact CE1-CB 3.9Å; Y2900-P2902 HydrophobicContact CE1-CG 4.1Å; Y2900-P2902 WeakPolarHBondContact O-CD 3.24Å
2901	I	37	Very low	33.9	Very low	145 Å²	145	148.5 Å²	148.5	74%	0.744	75%	0.749	S	S	*	*			trans	-109.9	130.4	152.7	-66.7	173.5	0	0	0	107.2	P2899 H2903	P2899-I2901 PolarHBondContact O-N 3.09Å; I2901-H2903 PolarHBondContact O-N 3.37Å; I2901-H2903 VanDerWaalsContact O-N 3.17Å
2902	P	34.8	Very low	33.8	Very low	79.6 Å²	79.6	146.1 Å²	146.1	52%	0.517	75%	0.75	S	S	.	*			trans	-93	143.1	176.1	26.4	-20.6	0	0	0	113.2	Y2900 E2904	Y2900-P2902 HydrophobicContact CD1-CB 4.38Å; Y2900-P2902 HydrophobicContact CD1-CG 4.23Å; Y2900-P2902 HydrophobicContact CE1-CB 3.9Å; Y2900-P2902 HydrophobicContact CE1-CG 4.1Å; Y2900-P2902 WeakPolarHBondContact O-CD 3.24Å; P2902-E2904 HydrophobicContact CB-CG 4.06Å; P2902-E2904 HydrophobicContact CG-CG 4.4Å; P2902-E2904 PolarHBondContact O-N 3.21Å
2903	H	32.7	Very low	33.3	Very low	163 Å²	163	146.8 Å²	146.8	76%	0.755	76%	0.756	S	S	*	*			trans	-120.8	98.9	155.8	-80.4	-57	0	0	0	111.7	I2901 H2905	I2901-H2903 PolarHBondContact O-N 3.37Å; I2901-H2903 VanDerWaalsContact O-N 3.17Å; H2903-H2905 PolarHBondContact O-CD2 3.24Å; H2903-H2905 PolarHBondContact O-N 3.04Å; H2903-H2905 VanDerWaalsContact O-N 3.15Å
2904	E	35.1	Very low	33.3	Very low	150 Å²	150	150.7 Å²	150.7	70%	0.701	76%	0.762	S	S	*	*			trans	-51.4	105	145.1	-66.6	-176.4	-144.1	0	0	113.4	R2267 P2902 I2906	R2267-E2904 IonicContact CZ-OE1 3.25Å; R2267-E2904 VanDerWaalsContact CZ-OE1 3.25Å; R2267-E2904 IonicContact CZ-OE2 3.82Å; R2267-E2904 IonicContact NE-OE1 2.92Å; R2267-E2904 PolarHBondContact NE-OE1 2.74Å; R2267-E2904 IonicContact NH2-OE1 2.84Å; R2267-E2904 PolarHBondContact NH2-OE1 3.01Å; R2267-E2904 IonicContact NH2-OE2 2.72Å; R2267-E2904 PolarHBondContact NH2-OE2 3Å; P2902-E2904 HydrophobicContact CB-CG 4.06Å; P2902-E2904 HydrophobicContact CG-CG 4.4Å; P2902-E2904 PolarHBondContact O-N 3.21Å; E2904-I2906 HydrophobicContact CB-CD1 4.17Å; E2904-I2906 HydrophobicContact CB-CG1 3.78Å; E2904-I2906 PolarHBondContact O-N 3.1Å
2905	H	35.3	Very low	32.8	Very low	165 Å²	165	151.1 Å²	151.1	76%	0.764	77%	0.765	S	S	*	*			trans	-42.8	94.1	154.2	-65.6	-79.2	0	0	0	114.1	H2903 K2907	H2903-H2905 PolarHBondContact O-CD2 3.24Å; H2903-H2905 PolarHBondContact O-N 3.04Å; H2903-H2905 VanDerWaalsContact O-N 3.15Å; H2905-K2907 VanDerWaalsContact C-N 3.27Å; H2905-K2907 PolarHBondContact O-N 3.43Å
2906	I	34.9	Very low	33	Very low	147 Å²	147	146.7 Å²	146.7	75%	0.754	76%	0.764	S	S	*	*			trans	-91.8	106.4	165.6	-58.1	177.5	0	0	0	109.2	E2904 L2908 Y3349	E2904-I2906 HydrophobicContact CB-CD1 4.17Å; E2904-I2906 HydrophobicContact CB-CG1 3.78Å; E2904-I2906 PolarHBondContact O-N 3.1Å; I2906-L2908 HydrophobicContact CG2-CD1 4.38Å; I2906-L2908 HydrophobicContact CG2-CD2 3.65Å; I2906-L2908 HydrophobicContact CG2-CG 3.73Å; I2906-L2908 PolarHBondContact O-N 3.04Å; I2906-Y3349 HydrophobicContact CD1-CE2 4.05Å; I2906-Y3349 WeakPolarHBondContact CD1-OH 3.48Å
2907	K	31.1	Very low	32.9	Very low	178.2 Å²	178.2	142.6 Å²	142.6	78%	0.775	76%	0.763	S	S	*	*			trans	-78.3	114.2	171.8	-140	-179	-177.7	177	0	112.1	H2905 N2909	H2905-K2907 VanDerWaalsContact C-N 3.27Å; H2905-K2907 PolarHBondContact O-N 3.43Å; K2907-N2909 VanDerWaalsContact C-N 3.31Å; K2907-N2909 PolarHBondContact O-N 3.43Å
2908	L	32.8	Very low	32.9	Very low	147.4 Å²	147.4	145.1 Å²	145.1	77%	0.772	77%	0.77	S	S	*	*			trans	-44.2	110.5	161.4	-64.4	177.2	0	0	0	113.9	I2906 S2910	I2906-L2908 HydrophobicContact CG2-CD1 4.38Å; I2906-L2908 HydrophobicContact CG2-CD2 3.65Å; I2906-L2908 HydrophobicContact CG2-CG 3.73Å; I2906-L2908 PolarHBondContact O-N 3.04Å; L2908-S2910 VanDerWaalsContact C-N 3.29Å; L2908-S2910 PolarHBondContact O-N 3.41Å
2909	N	30.9	Very low	32.6	Very low	151.2 Å²	151.2	144.7 Å²	144.7	81%	0.809	77%	0.771	S	S	*	*			trans	-102.2	110.6	155.7	-72.4	-19.7	0	0	0	110.3	K2907 S2911	K2907-N2909 VanDerWaalsContact C-N 3.31Å; K2907-N2909 PolarHBondContact O-N 3.43Å; N2909-S2911 PolarHBondContact O-N 3.27Å
2910	S	27.6	Very low	32.7	Very low	108.6 Å²	108.6	144.3 Å²	144.3	76%	0.759	77%	0.769	S	S	*	*			trans	-95.7	116	173.2	-61.3	0	0	0	0	111.2	L2908 S2912	L2908-S2910 VanDerWaalsContact C-N 3.29Å; L2908-S2910 PolarHBondContact O-N 3.41Å; S2910-S2912 PolarHBondContact O-N 3.39Å
2911	S	29.5	Very low	32.9	Very low	110.2 Å²	110.2	141.9 Å²	141.9	77%	0.771	77%	0.77	S	S	*	*			trans	147.8	123.4	142.6	60.6	0	0	0	0	113	N2909	N2909-S2911 PolarHBondContact O-N 3.27Å
2912	S	30.6	Very low	33	Very low	114.8 Å²	114.8	139.7 Å²	139.7	80%	0.803	77%	0.773	S	S	*	*			trans	84.2	112.2	166.1	-177.3	0	0	0	0	114.5	S2910	S2910-S2912 PolarHBondContact O-N 3.39Å
2913	C	27.4	Very low	33.1	Very low	126 Å²	126	144.4 Å²	144.4	85%	0.851	79%	0.788	S	S	*	*			trans	-92.8	137	170.6	-59.2	0	0	0	0	110.8
2914	R	30.4	Very low	33.1	Very low	230.2 Å²	230.2	146.3 Å²	146.3	87%	0.869	79%	0.79	S	S	*	*				162.8	125.5	125.1	-147	173.1	-175.5	164.9	1.2	113.7
2915	E	29.8	Very low	33.2	Very low	172.4 Å²	172.4	144.9 Å²	144.9	81%	0.806	79%	0.792	S	S	*	*			trans	-74	154.6	172.4	-74.7	152.3	135	0	0	113.6	S2917	E2915-S2917 PolarHBondContact O-N 2.95Å
2916	P	38.9	Very low	33.2	Very low	123.6 Å²	123.6	139.7 Å²	139.7	80%	0.803	78%	0.782	S	S	*	*			trans	-98.3	150.4	-160.6	20.6	-7.9	0	0	0	111.6
2917	S	33.8	Very low	33.2	Very low	101.8 Å²	101.8	138.7 Å²	138.7	71%	0.712	78%	0.784	S	S	*	*			trans	-93.2	131.8	166.6	167.1	0	0	0	0	112.3	E2915	E2915-S2917 PolarHBondContact O-N 2.95Å
2918	E	34.1	Very low	33.3	Very low	179.6 Å²	179.6	135.1 Å²	135.1	84%	0.839	79%	0.787	S	S	*	*			trans	23.9	113.4	151	-63.5	161.9	175.7	0	0	116.6
2919	C	30.5	Very low	33.4	Very low	121.6 Å²	121.6	133 Å²	133	82%	0.822	78%	0.784	S	S	*	*			trans	-106.4	156.3	154.1	-90.1	0	0	0	0	110.2
2920	P	37.7	Very low	33.6	Very low	112.6 Å²	112.6	133.6 Å²	133.6	73%	0.731	79%	0.787	S	S	*	*			trans	-117.1	160.9	166.1	28	-14.5	0	0	0	114	A2922	P2920-A2922 PolarHBondContact O-N 2.79Å
2921	D	35.3	Very low	33.9	Very low	152 Å²	152	136.2 Å²	136.2	81%	0.813	79%	0.787	S	S	*	*			trans	17.6	120.5	159.6	-55.9	-45.8	0	0	0	117.2
2922	A	39.9	Very low	34.6	Very low	98.8 Å²	98.8	136.4 Å²	136.4	82%	0.817	79%	0.785	S	S	*	*			trans	-117.8	92.8	163.3	0	0	0	0	0	111.3	P2920 Y2924	P2920-A2922 PolarHBondContact O-N 2.79Å; A2922-Y2924 PolarHBondContact O-N 3.05Å
2923	E	36	Very low	34.7	Very low	177.8 Å²	177.8	138.4 Å²	138.4	83%	0.831	79%	0.786	S	S	*	*			trans	-59.3	122.3	169.8	-64.2	-171.9	136.4	0	0	114.1	V2925	E2923-V2925 HydrophobicContact CB-CG2 3.99Å; E2923-V2925 PolarHBondContact O-N 3.29Å
2924	Y	33.7	Very low	34.9	Very low	203 Å²	203	137.3 Å²	137.3	80%	0.796	78%	0.781	S	S	*	*			trans	-84.3	109.7	150.9	-169.4	-107	0	0	0	113.1	A2922 G2926 T2927	A2922-Y2924 PolarHBondContact O-N 3.05Å; Y2924-G2926 VanDerWaalsContact CE1-O 3.22Å; Y2924-G2926 WeakPolarHBondContact CE1-O 3.3Å; Y2924-G2926 PolarHBondContact O-N 2.91Å; Y2924-T2927 HydrophobicContact CE1-CG2 3.96Å
2925	V	36.3	Very low	35	Very low	121.6 Å²	121.6	134.6 Å²	134.6	74%	0.737	78%	0.78	S	S	*	*			trans	-72.4	117.8	170.2	-175.9	0	0	0	0	112.7	E2923 T2927	E2923-V2925 HydrophobicContact CB-CG2 3.99Å; E2923-V2925 PolarHBondContact O-N 3.29Å; V2925-T2927 PolarHBondContact O-N 3.05Å
2926	G	35.8	Very low	35	Very low	54.8 Å²	54.8	130.8 Å²	130.8	57%	0.565	78%	0.777	S	S	*	*			trans	108.5	99.8	166.6	0	0	0	0	0	115.9	Y2924 A2928	Y2924-G2926 VanDerWaalsContact CE1-O 3.22Å; Y2924-G2926 WeakPolarHBondContact CE1-O 3.3Å; Y2924-G2926 PolarHBondContact O-N 2.91Å; G2926-A2928 PolarHBondContact O-N 2.93Å; G2926-A2928 VanDerWaalsContact O-N 3.08Å
2927	T	34.6	Very low	34.6	Very low	127 Å²	127	130.3 Å²	130.3	78%	0.779	77%	0.772	S	S	*	*			trans	-74.5	116.4	133.6	51.2	0	0	0	0	111.2	Y2924 V2925 S2929	Y2924-T2927 HydrophobicContact CE1-CG2 3.96Å; V2925-T2927 PolarHBondContact O-N 3.05Å; T2927-S2929 PolarHBondContact O-N 3.12Å
2928	A	34.4	Very low	34.5	Very low	101.6 Å²	101.6	132.9 Å²	132.9	84%	0.84	78%	0.777	S	S	*	*			trans	-106.6	104.2	164.7	0	0	0	0	0	110.1	G2926	G2926-A2928 PolarHBondContact O-N 2.93Å; G2926-A2928 VanDerWaalsContact O-N 3.08Å
2929	S	34.8	Very low	34.4	Very low	102.8 Å²	102.8	130 Å²	130	72%	0.719	77%	0.772	S	S	*	*			trans	-74.4	126.4	154.8	-173.4	0	0	0	0	110.6	T2927 E2931	T2927-S2929 PolarHBondContact O-N 3.12Å; S2929-E2931 PolarHBondContact O-N 3.26Å; S2929-E2931 VanDerWaalsContact O-N 3.15Å
2930	L	34.9	Very low	34.4	Very low	164.6 Å²	164.6	129 Å²	129	86%	0.862	77%	0.767	S	S	*	*			trans	-114.3	118.8	167.3	-66.8	176.2	0	0	0	109.5	P2932	L2930-P2932 WeakPolarHBondContact O-CD 3.29Å
2931	E	33.9	Very low	34.1	Very low	163.6 Å²	163.6	130.9 Å²	130.9	76%	0.764	77%	0.767	S	S	*	*			trans	-71.7	144.8	164	-62.7	-172.4	133	0	0	111.1	S2929 L2933	S2929-E2931 PolarHBondContact O-N 3.26Å; S2929-E2931 VanDerWaalsContact O-N 3.15Å; E2931-L2933 PolarHBondContact O-N 3.34Å; E2931-L2933 VanDerWaalsContact O-N 3.16Å
2932	P	43.6	Very low	34.2	Very low	113.4 Å²	113.4	129.1 Å²	129.1	74%	0.736	76%	0.762	S	S	*	*			trans	-92.9	148.2	178.5	15.6	-5.4	0	0	0	111.4	L2930 S2934	L2930-P2932 WeakPolarHBondContact O-CD 3.29Å; P2932-S2934 PolarHBondContact O-N 3.18Å
2933	L	32	Very low	34.3	Very low	156.8 Å²	156.8	131.8 Å²	131.8	82%	0.821	76%	0.758	S	S	*	*			trans	-61.1	124.2	164.7	-76.8	166.8	0	0	0	112.7	D2402 E2931 M2935	D2402-L2933 HydrophobicContact CB-CD2 4.08Å; D2402-L2933 HydrophobicContact CB-CG 4.32Å; D2402-L2933 WeakPolarHBondContact OD2-CD2 3.46Å; E2931-L2933 PolarHBondContact O-N 3.34Å; E2931-L2933 VanDerWaalsContact O-N 3.16Å; L2933-M2935 PolarHBondContact O-N 3.36Å
2934	S	32.8	Very low	34.5	Very low	104.6 Å²	104.6	130.4 Å²	130.4	73%	0.731	76%	0.756	S	S	*	*			trans	-47.5	136.2	165.3	-63.5	0	0	0	0	114.9	P2932 A2936	P2932-S2934 PolarHBondContact O-N 3.18Å; S2934-A2936 VanDerWaalsContact C-N 3.29Å; S2934-A2936 PolarHBondContact O-N 3.17Å
2935	M	31.7	Very low	34.8	Very low	172.8 Å²	172.8	124.1 Å²	124.1	85%	0.851	75%	0.753	S	S	*	*			trans	40.4	117.5	146.2	-67.7	177.4	18	0	0	114.4	L2933 V2937	L2933-M2935 PolarHBondContact O-N 3.36Å; M2935-V2937 HydrophobicContact CE-CG2 4.41Å; M2935-V2937 PolarHBondContact O-N 3Å
2936	A	30.6	Very low	34.7	Very low	91.4 Å²	91.4	126 Å²	126	76%	0.755	76%	0.758	S	S	*	*			trans	-68.7	116.8	142.1	0	0	0	0	0	111.3	S2934 L2938	S2934-A2936 VanDerWaalsContact C-N 3.29Å; S2934-A2936 PolarHBondContact O-N 3.17Å; A2936-L2938 PolarHBondContact O-N 3.31Å
2937	V	30.4	Very low	34.9	Very low	115 Å²	115	129.4 Å²	129.4	70%	0.697	77%	0.768	S	S	*	*			trans	-64.6	101.2	149.5	178.4	0	0	0	0	110.7	M2935 T2939	M2935-V2937 HydrophobicContact CE-CG2 4.41Å; M2935-V2937 PolarHBondContact O-N 3Å; V2937-T2939 HydrophobicContact CG1-CG2 4.09Å; V2937-T2939 PolarHBondContact O-N 3.16Å
2938	L	32.4	Very low	35.1	Very low	155.8 Å²	155.8	128.2 Å²	128.2	82%	0.816	77%	0.765	S	S	*	*			trans	-127.2	108.4	145.6	-69.1	176	0	0	0	112.9	A2936 S2940	A2936-L2938 PolarHBondContact O-N 3.31Å; L2938-S2940 PolarHBondContact O-N 3.07Å
2939	T	30.8	Very low	35.5	Very low	119.2 Å²	119.2	129 Å²	129	73%	0.731	76%	0.763	S	S	*	*			trans	-104.8	130.2	158.4	50	0	0	0	0	112.9	V2937	V2937-T2939 HydrophobicContact CG1-CG2 4.09Å; V2937-T2939 PolarHBondContact O-N 3.16Å
2940	S	30.8	Very low	35.9	Very low	100.8 Å²	100.8	131.3 Å²	131.3	71%	0.705	77%	0.767	S	S	*	*			trans	78.9	120.4	157.5	55.1	0	0	0	0	116.1	R2430 L2938	R2430-S2940 VanDerWaalsContact CZ-O 3.27Å; R2430-S2940 PolarHBondContact NH1-O 2.9Å; R2430-S2940 PolarHBondContact NH2-O 3.06Å; L2938-S2940 PolarHBondContact O-N 3.07Å
2941	M	32.2	Very low	36.2	Very low	151.8 Å²	151.8	126.5 Å²	126.5	75%	0.748	76%	0.757	S	S	*	*			trans	-158.4	116.3	158.4	-58.2	-167.9	-51.3	0	0	114.2	R2430 E2943	R2430-M2941 PolarHBondContact NH1-O 3.22Å; R2430-M2941 CarbonylContact O-C 3.6Å; M2941-E2943 VanDerWaalsContact C-N 3.34Å; M2941-E2943 HydrophobicContact CB-CG 4.41Å; M2941-E2943 PolarHBondContact O-N 3.02Å; M2941-E2943 VanDerWaalsContact O-N 3.08Å
2942	T	37.1	Very low	36.9	Very low	114.4 Å²	114.4	126.5 Å²	126.5	70%	0.702	76%	0.757	S	S	*	*			trans	-90.8	111.2	158.3	44.5	0	0	0	0	111.1	N2429 R2430	N2429-T2942 CarbonylContact C-O 3.55Å; N2429-T2942 WeakPolarHBondContact CB-O 3.38Å; N2429-T2942 PolarHBondContact ND2-O 3.09Å; N2429-T2942 PolarHBondContact OD1-O 3.06Å; R2430-T2942 PolarHBondContact N-O 3.06Å; R2430-T2942 CarbonylContact O-C 3.45Å; R2430-T2942 WeakPolarHBondContact O-CA 3.22Å
2943	E	40.9	Very low	36.9	Very low	154.6 Å²	154.6	127.9 Å²	127.9	72%	0.722	75%	0.754	S	S	*	*				-131.4	141.8	122.5	-64.9	165.7	-144.1	0	0	110.1	N2429 R2430 P2431 M2941 G2945	N2429-E2943 CarbonylContact C-O 3.46Å; N2429-E2943 VanDerWaalsContact CB-OE2 3.31Å; N2429-E2943 WeakPolarHBondContact CB-OE2 3.45Å; N2429-E2943 VanDerWaalsContact ND2-CD 3.3Å; N2429-E2943 PolarHBondContact ND2-OE1 3.18Å; N2429-E2943 VanDerWaalsContact ND2-OE1 3.14Å; N2429-E2943 PolarHBondContact ND2-OE2 2.75Å; R2430-E2943 WeakPolarHBondContact CA-O 3.41Å; P2431-E2943 WeakPolarHBondContact CD-O 3.4Å; M2941-E2943 VanDerWaalsContact C-N 3.34Å; M2941-E2943 HydrophobicContact CB-CG 4.41Å; M2941-E2943 PolarHBondContact O-N 3.02Å; M2941-E2943 VanDerWaalsContact O-N 3.08Å; E2943-G2945 PolarHBondContact O-N 2.97Å
2944	D	40.4	Very low	37.7	Very low	148.2 Å²	148.2	126.5 Å²	126.5	79%	0.793	75%	0.746	S	S	*	*			trans	-53.7	119.9	-172.9	-70.5	-44	0	0	0	114.3	P2431 S2656 L2946	P2431-D2944 HydrophobicContact CG-CB 4.45Å; P2431-D2944 WeakPolarHBondContact CG-OD1 3.47Å; S2656-D2944 PolarHBondContact OG-OD2 2.92Å; D2944-L2946 HydrophobicContact CB-CD1 4.47Å; D2944-L2946 HydrophobicContact CB-CG 4.35Å; D2944-L2946 PolarHBondContact O-N 3.13Å
2945	G	39.7	Very low	38.4	Very low	71.6 Å²	71.6	126.2 Å²	126.2	74%	0.738	74%	0.741	S	S	*	*			trans	-113.5	91.3	177.5	0	0	0	0	0	114.8	E2943 T2947	E2943-G2945 PolarHBondContact O-N 2.97Å; G2945-T2947 PolarHBondContact O-N 2.9Å
2946	L	35.1	Very low	39.1	Very low	160.4 Å²	160.4	125 Å²	125	84%	0.84	73%	0.733	S	S	*	*			trans	-105.8	112.1	166.8	-66	176.9	0	0	0	111.4	D2944 S2948	D2944-L2946 HydrophobicContact CB-CD1 4.47Å; D2944-L2946 HydrophobicContact CB-CG 4.35Å; D2944-L2946 PolarHBondContact O-N 3.13Å; L2946-S2948 PolarHBondContact O-N 3.31Å; L2946-S2948 VanDerWaalsContact O-N 3.17Å
2947	T	40.4	Very low	40	Very low	128 Å²	128	127.6 Å²	127.6	79%	0.785	73%	0.734	S	S	*	*			trans	39.1	93.9	149	57.8	0	0	0	0	113.9	G2945 C2949	G2945-T2947 PolarHBondContact O-N 2.9Å; T2947-C2949 VanDerWaalsContact C-N 3.29Å; T2947-C2949 PolarHBondContact O-N 3.46Å
2948	S	37.5	Very low	41	Very low	100.6 Å²	100.6	129.2 Å²	129.2	70%	0.703	74%	0.739	S	S	*	*			trans	-74.5	122.9	154.2	56.9	0	0	0	0	111.6	L2946 D2950	L2946-S2948 PolarHBondContact O-N 3.31Å; L2946-S2948 VanDerWaalsContact O-N 3.17Å; S2948-D2950 VanDerWaalsContact C-N 3.29Å; S2948-D2950 WeakPolarHBondContact CB-OD1 3.13Å; S2948-D2950 PolarHBondContact O-N 2.94Å; S2948-D2950 VanDerWaalsContact O-N 3.1Å; S2948-D2950 PolarHBondContact OG-OD1 3.29Å
2949	C	42.6	Very low	41.8	Very low	119.2 Å²	119.2	129.5 Å²	129.5	81%	0.805	74%	0.741	S	S	*	*			trans	-95	108.5	146.2	-60.8	0	0	0	0	107.9	T2947 G2951	T2947-C2949 VanDerWaalsContact C-N 3.29Å; T2947-C2949 PolarHBondContact O-N 3.46Å; C2949-G2951 WeakPolarHBondContact O-CA 3.12Å; C2949-G2951 PolarHBondContact O-N 3.12Å
2950	D	44.7	Very low	42.5	Very low	151.2 Å²	151.2	127.7 Å²	127.7	81%	0.809	74%	0.738	S	S	*	*				21.4	123.4	115.9	-71.1	-21.2	0	0	0	111.7	S2948 E2952	S2948-D2950 VanDerWaalsContact C-N 3.29Å; S2948-D2950 WeakPolarHBondContact CB-OD1 3.13Å; S2948-D2950 PolarHBondContact O-N 2.94Å; S2948-D2950 VanDerWaalsContact O-N 3.1Å; S2948-D2950 PolarHBondContact OG-OD1 3.29Å; D2950-E2952 PolarHBondContact O-N 3.47Å
2951	G	40.9	Very low	42.9	Very low	62.4 Å²	62.4	130.3 Å²	130.3	64%	0.643	74%	0.744	S	S	*	*			trans	153.4	64.2	178.7	0	0	0	0	0	113.7	F2653 C2949 E2953	F2653-G2951 WeakPolarHBondContact CE2-O 3.06Å; F2653-G2951 WeakPolarHBondContact CZ-O 3.48Å; C2949-G2951 WeakPolarHBondContact O-CA 3.12Å; C2949-G2951 PolarHBondContact O-N 3.12Å; G2951-E2953 PolarHBondContact O-N 2.83Å
2952	E	48.8	Very low	43.5	Very low	163.6 Å²	163.6	130.3 Å²	130.3	76%	0.764	75%	0.747	S	S	*	*			trans	-83.6	116.4	163.9	-45.3	-72.2	131.9	0	0	112.6	F2583 D2950 L2954	F2583-E2952 HydrophobicContact CD2-CB 4.46Å; F2583-E2952 HydrophobicContact CE2-CB 3.91Å; D2950-E2952 PolarHBondContact O-N 3.47Å; E2952-L2954 HydrophobicContact CB-CB 4.47Å; E2952-L2954 HydrophobicContact CB-CG 4.15Å; E2952-L2954 HydrophobicContact CG-CB 4.45Å; E2952-L2954 HydrophobicContact CG-CD1 4.43Å; E2952-L2954 HydrophobicContact CG-CG 4.4Å; E2952-L2954 PolarHBondContact O-N 3.09Å
2953	E	42.5	Very low	43.4	Very low	143.2 Å²	143.2	128.5 Å²	128.5	67%	0.669	75%	0.752	S	S	*	*			trans	-74.1	102.6	160.6	-178.9	-179.6	-179.7	0	0	110.1	G2651 L2652 F2653 G2951 T2955 G3459 D3460	G2651-E2953 WeakPolarHBondContact CA-OE1 3.16Å; G2651-E2953 PolarHBondContact N-OE1 3.01Å; L2652-E2953 HydrophobicContact CB-CB 4.11Å; L2652-E2953 VanDerWaalsContact CB-CD 3.45Å; L2652-E2953 HydrophobicContact CB-CG 3.98Å; L2652-E2953 WeakPolarHBondContact CB-OE2 3.31Å; L2652-E2953 HydrophobicContact CD1-CB 4Å; L2652-E2953 HydrophobicContact CD1-CG 4.2Å; L2652-E2953 PolarHBondContact N-OE1 3.23Å; L2652-E2953 PolarHBondContact N-OE2 2.9Å; L2652-E2953 VanDerWaalsContact N-OE2 3.13Å; F2653-E2953 HydrophobicContact CD2-CB 3.97Å; F2653-E2953 HydrophobicContact CE2-CB 3.94Å; G2951-E2953 PolarHBondContact O-N 2.83Å; E2953-T2955 HydrophobicContact CG-CG2 4.18Å; E2953-T2955 PolarHBondContact O-N 3.28Å; E2953-G3459 VanDerWaalsContact OE1-CA 3.23Å; E2953-G3459 WeakPolarHBondContact OE1-CA 2.88Å; E2953-D3460 PolarHBondContact OE1-N 3.43Å
2954	L	49.8	Very low	43.2	Very low	127 Å²	127	128.6 Å²	128.6	67%	0.665	76%	0.756	S	S	*	*			trans	-103.7	98.8	162.3	-70.7	-177	0	0	0	109.4	Y2581 T2582 F2583 E2952 E2956	Y2581-L2954 VanDerWaalsContact CB-CD2 3.48Å; Y2581-L2954 HydrophobicContact CG-CD2 4.14Å; Y2581-L2954 CarbonylContact O-C 3.29Å; Y2581-L2954 WeakPolarHBondContact O-CA 3.28Å; Y2581-L2954 WeakPolarHBondContact O-CB 3.26Å; T2582-L2954 WeakPolarHBondContact O-CD1 3.27Å; F2583-L2954 HydrophobicContact CB-CB 4.11Å; F2583-L2954 HydrophobicContact CB-CD1 4.35Å; F2583-L2954 HydrophobicContact CD2-CB 3.78Å; F2583-L2954 HydrophobicContact CD2-CD1 3.27Å; F2583-L2954 HydrophobicContact CD2-CG 3.52Å; F2583-L2954 HydrophobicContact CE2-CD1 3.44Å; F2583-L2954 VanDerWaalsContact CE2-CD1 3.44Å; F2583-L2954 HydrophobicContact CE2-CG 3.88Å; F2583-L2954 HydrophobicContact CG-CB 4.35Å; F2583-L2954 HydrophobicContact CG-CD1 3.88Å; F2583-L2954 HydrophobicContact CG-CG 4.39Å; F2583-L2954 HydrophobicContact CZ-CD1 4.21Å; E2952-L2954 HydrophobicContact CB-CB 4.47Å; E2952-L2954 HydrophobicContact CB-CG 4.15Å; E2952-L2954 HydrophobicContact CG-CB 4.45Å; E2952-L2954 HydrophobicContact CG-CD1 4.43Å; E2952-L2954 HydrophobicContact CG-CG 4.4Å; E2952-L2954 PolarHBondContact O-N 3.09Å; L2954-E2956 VanDerWaalsContact C-N 3.28Å; L2954-E2956 HydrophobicContact CB-CG 4.48Å; L2954-E2956 PolarHBondContact O-N 3.1Å
2955	T	47.3	Very low	43.2	Very low	99.2 Å²	99.2	129.5 Å²	129.5	61%	0.609	76%	0.756	S	S	*	*			trans	-63.4	99.8	156.2	37	0	0	0	0	113.5	F2580 Y2581 P2650 E2953 D2957	F2580-T2955 WeakPolarHBondContact CA-O 3.17Å; F2580-T2955 PolarHBondContact N-O 3.46Å; Y2581-T2955 PolarHBondContact N-O 3.08Å; Y2581-T2955 CarbonylContact O-C 3.53Å; Y2581-T2955 VanDerWaalsContact O-CA 3.23Å; Y2581-T2955 WeakPolarHBondContact O-CA 3.25Å; Y2581-T2955 PolarHBondContact O-N 2.94Å; P2650-T2955 HydrophobicContact CG-CG2 3.59Å; E2953-T2955 HydrophobicContact CG-CG2 4.18Å; E2953-T2955 PolarHBondContact O-N 3.28Å; T2955-D2957 PolarHBondContact O-N 3.17Å; T2955-D2957 VanDerWaalsContact O-N 3.13Å
2956	E	46.3	Very low	42.9	Very low	148.2 Å²	148.2	131 Å²	131	69%	0.693	76%	0.755	S	S	*	*			trans	-62.8	112.1	155.2	-73.5	166.8	177.2	0	0	110.7	F2580 Y2581 T2582 L2954 D2958	F2580-E2956 HydrophobicContact CB-CG 3.67Å; F2580-E2956 HydrophobicContact CD2-CG 4.49Å; F2580-E2956 HydrophobicContact CG-CG 4.18Å; Y2581-E2956 WeakPolarHBondContact CD1-OE1 3.33Å; Y2581-E2956 VanDerWaalsContact N-CG 3.34Å; Y2581-E2956 PolarHBondContact O-N 3.38Å; T2582-E2956 VanDerWaalsContact CB-OE2 3.25Å; T2582-E2956 WeakPolarHBondContact CB-OE2 3.5Å; T2582-E2956 PolarHBondContact N-OE2 2.76Å; T2582-E2956 WeakPolarHBondContact OG1-CB 3.35Å; T2582-E2956 PolarHBondContact OG1-OE2 3.42Å; L2954-E2956 VanDerWaalsContact C-N 3.28Å; L2954-E2956 HydrophobicContact CB-CG 4.48Å; L2954-E2956 PolarHBondContact O-N 3.1Å; E2956-D2958 HydrophobicContact CG-CB 4.2Å; E2956-D2958 PolarHBondContact O-N 2.87Å
2957	D	48.8	Very low	43.1	Very low	145.6 Å²	145.6	130.8 Å²	130.8	78%	0.779	75%	0.751	S	S	*	*			trans	-83.4	125.3	149.1	-69.8	-43.7	0	0	0	111	F2580 T2955 D2959	F2580-D2957 HydrophobicContact CD1-CB 4.18Å; F2580-D2957 WeakPolarHBondContact CD1-O 3.47Å; F2580-D2957 WeakPolarHBondContact CD2-O 3.25Å; F2580-D2957 HydrophobicContact CE1-CB 3.58Å; F2580-D2957 WeakPolarHBondContact CE1-O 3.29Å; F2580-D2957 WeakPolarHBondContact CE1-OD2 3.15Å; F2580-D2957 WeakPolarHBondContact CE2-O 3.34Å; F2580-D2957 WeakPolarHBondContact CG-O 3.41Å; F2580-D2957 HydrophobicContact CZ-CB 4.05Å; F2580-D2957 WeakPolarHBondContact CZ-O 2.99Å; T2955-D2957 PolarHBondContact O-N 3.17Å; T2955-D2957 VanDerWaalsContact O-N 3.13Å; D2957-D2959 PolarHBondContact O-N 3.09Å
2958	D	51.6	Low	43	Very low	148.2 Å²	148.2	130.4 Å²	130.4	79%	0.793	75%	0.749	S	S	*	*			trans	-93.2	77.8	167.2	-123.7	-5.1	0	0	0	112.3	F2580 E2956 A2960	F2580-D2958 WeakPolarHBondContact CD2-OD1 3.48Å; F2580-D2958 HydrophobicContact CE2-CB 4.49Å; F2580-D2958 WeakPolarHBondContact CE2-OD1 3.48Å; E2956-D2958 HydrophobicContact CG-CB 4.2Å; E2956-D2958 PolarHBondContact O-N 2.87Å; D2958-A2960 HydrophobicContact CB-CB 4.2Å; D2958-A2960 PolarHBondContact O-N 2.92Å; D2958-A2960 VanDerWaalsContact O-N 3.16Å
2959	D	49.6	Very low	43	Very low	162.6 Å²	162.6	132.6 Å²	132.6	87%	0.87	75%	0.753	S	S	*	*			trans	-95.5	78.8	168.3	-122.2	-12	0	0	0	111.6	D2957 N2961	D2957-D2959 PolarHBondContact O-N 3.09Å; D2959-N2961 PolarHBondContact O-N 3.21Å
2960	A	44.4	Very low	42.6	Very low	80.6 Å²	80.6	132.1 Å²	132.1	67%	0.666	75%	0.751	S	S	*	*			trans	-93	95.3	-179.3	0	0	0	0	0	113.9	D2958 D2962	D2958-A2960 HydrophobicContact CB-CB 4.2Å; D2958-A2960 PolarHBondContact O-N 2.92Å; D2958-A2960 VanDerWaalsContact O-N 3.16Å; A2960-D2962 PolarHBondContact O-N 2.89Å
2961	N	40.3	Very low	42.1	Very low	155.4 Å²	155.4	131.8 Å²	131.8	83%	0.831	75%	0.749	S	S	*	*			trans	-75.5	96.5	165.7	-124	-10.1	0	0	0	114.9	D2959	D2959-N2961 PolarHBondContact O-N 3.21Å
2962	D	44.1	Very low	41.8	Very low	152.8 Å²	152.8	134.9 Å²	134.9	82%	0.817	76%	0.755	S	S	*	*			trans	-154.2	101.2	141.5	-103.1	-20.3	0	0	0	113.9	A2960 L2964	A2960-D2962 PolarHBondContact O-N 2.89Å; D2962-L2964 VanDerWaalsContact C-N 3.34Å; D2962-L2964 PolarHBondContact O-N 3.16Å
2963	G	35.5	Very low	41	Very low	76.6 Å²	76.6	134.2 Å²	134.2	79%	0.79	76%	0.756	S	S	*	*			trans	76.4	63	161	0	0	0	0	0	116.3	E2965	G2963-E2965 PolarHBondContact O-N 3.3Å
2964	L	36.9	Very low	40.6	Very low	156.4 Å²	156.4	134.2 Å²	134.2	82%	0.819	76%	0.76	S	S	*	*			trans	-63.7	127.8	168.8	-122.2	153.7	0	0	0	112.9	D2962 S2966	D2962-L2964 VanDerWaalsContact C-N 3.34Å; D2962-L2964 PolarHBondContact O-N 3.16Å; L2964-S2966 PolarHBondContact O-N 2.9Å
2965	E	39.8	Very low	39.7	Very low	166.8 Å²	166.8	135.8 Å²	135.8	78%	0.779	76%	0.764	S	S	*	*			trans	-82	105	162	-77.8	-174.3	177.7	0	0	115.2	G2963 M2967	G2963-E2965 PolarHBondContact O-N 3.3Å; E2965-M2967 PolarHBondContact O-N 3.21Å
2966	S	34.5	Very low	39	Very low	103.2 Å²	103.2	138.6 Å²	138.6	72%	0.722	77%	0.77	S	S	*	*			trans	-96.3	116.3	138.5	157.1	0	0	0	0	111.5	L2964 T2968	L2964-S2966 PolarHBondContact O-N 2.9Å; S2966-T2968 VanDerWaalsContact C-N 3.3Å; S2966-T2968 PolarHBondContact O-N 2.81Å; S2966-T2968 VanDerWaalsContact O-N 3.13Å; S2966-T2968 WeakPolarHBondContact OG-CG2 3.44Å; S2966-T2968 PolarHBondContact OG-OG1 2.94Å; S2966-T2968 VanDerWaalsContact OG-OG1 3.11Å
2967	M	38	Very low	38.2	Very low	155.2 Å²	155.2	138.6 Å²	138.6	77%	0.765	77%	0.77	S	S	*	*			trans	-118.9	113.7	165.8	-77.1	-174.8	-136.3	0	0	113.7	E2965 D2969	E2965-M2967 PolarHBondContact O-N 3.21Å; M2967-D2969 PolarHBondContact O-N 3.06Å
2968	T	39.3	Very low	37.5	Very low	121 Å²	121	138 Å²	138	74%	0.742	77%	0.767	S	S	*	*			trans	-34.7	113	151.8	39.4	0	0	0	0	113.8	S2966 S2970	S2966-T2968 VanDerWaalsContact C-N 3.3Å; S2966-T2968 PolarHBondContact O-N 2.81Å; S2966-T2968 VanDerWaalsContact O-N 3.13Å; S2966-T2968 WeakPolarHBondContact OG-CG2 3.44Å; S2966-T2968 PolarHBondContact OG-OG1 2.94Å; S2966-T2968 VanDerWaalsContact OG-OG1 3.11Å; T2968-S2970 VanDerWaalsContact C-N 3.26Å; T2968-S2970 PolarHBondContact O-N 3.05Å; T2968-S2970 PolarHBondContact O-OG 2.91Å
2969	D	37.3	Very low	36.6	Very low	145.8 Å²	145.8	137.6 Å²	137.6	78%	0.78	76%	0.763	S	S	*	*			trans	-83.6	113	155.7	-104.6	-16.2	0	0	0	113.2	M2967 N2971	M2967-D2969 PolarHBondContact O-N 3.06Å; D2969-N2971 PolarHBondContact O-N 3.28Å; D2969-N2971 PolarHBondContact OD2-ND2 3.25Å
2970	S	34.8	Very low	35.9	Very low	108.8 Å²	108.8	137.1 Å²	137.1	76%	0.761	76%	0.759	S	S	*	*			trans	-122.8	89.9	165.8	-71.4	0	0	0	0	113.1	T2968	T2968-S2970 VanDerWaalsContact C-N 3.26Å; T2968-S2970 PolarHBondContact O-N 3.05Å; T2968-S2970 PolarHBondContact O-OG 2.91Å
2971	N	33.6	Very low	35.2	Very low	145.2 Å²	145.2	141.4 Å²	141.4	78%	0.776	77%	0.765	S	S	*	*			trans	-119.4	119	161.6	-95.7	-49.2	0	0	0	113.1	D2969 L2973	D2969-N2971 PolarHBondContact O-N 3.28Å; D2969-N2971 PolarHBondContact OD2-ND2 3.25Å; N2971-L2973 PolarHBondContact O-N 3.18Å
2972	V	34.7	Very low	34.8	Very low	127.4 Å²	127.4	140.1 Å²	140.1	77%	0.772	76%	0.758	S	S	*	*			trans	-82.2	124.3	161.3	-179	0	0	0	0	111.6	L2974	V2972-L2974 HydrophobicContact CG1-CD1 4.33Å; V2972-L2974 HydrophobicContact CG1-CG 4.11Å
2973	L	31.1	Very low	34	Very low	148.4 Å²	148.4	140.3 Å²	140.3	78%	0.777	76%	0.758	S	S	*	*			trans	-146.1	124.2	154	-156.2	99.9	0	0	0	112.8	N2971 Q2975	N2971-L2973 PolarHBondContact O-N 3.18Å; L2973-Q2975 HydrophobicContact CD2-CB 4.15Å; L2973-Q2975 HydrophobicContact CD2-CG 3.77Å; L2973-Q2975 HydrophobicContact CG-CB 4.49Å; L2973-Q2975 HydrophobicContact CG-CG 4.41Å; L2973-Q2975 PolarHBondContact O-N 3.39Å
2974	L	34.2	Very low	33.9	Very low	144 Å²	144	144.4 Å²	144.4	75%	0.754	76%	0.757	S	S	*	*			trans	-83.6	109	168.5	-69.8	168.8	0	0	0	112.3	V2972	V2972-L2974 HydrophobicContact CG1-CD1 4.33Å; V2972-L2974 HydrophobicContact CG1-CG 4.11Å
2975	Q	32.2	Very low	33.6	Very low	161.2 Å²	161.2	144.5 Å²	144.5	75%	0.753	75%	0.753	S	S	*	*			trans	-161.5	122.9	141	-108.6	168.4	39.5	0	0	110.9	L2973	L2973-Q2975 HydrophobicContact CD2-CB 4.15Å; L2973-Q2975 HydrophobicContact CD2-CG 3.77Å; L2973-Q2975 HydrophobicContact CG-CB 4.49Å; L2973-Q2975 HydrophobicContact CG-CG 4.41Å; L2973-Q2975 PolarHBondContact O-N 3.39Å
2976	H	32.9	Very low	33.1	Very low	157.4 Å²	157.4	143.7 Å²	143.7	73%	0.729	75%	0.753	S	S	*	*			trans	-11.3	136.2	131.8	-63.7	-85.6	0	0	0	115.1	D2978	H2976-D2978 IonicContact CG-OD2 3.62Å; H2976-D2978 IonicContact ND1-OD2 3.64Å; H2976-D2978 PolarHBondContact ND1-OD2 3.31Å
2977	Q	29.5	Very low	32.8	Very low	148.6 Å²	148.6	145 Å²	145	69%	0.694	75%	0.752	S	S	*	*				-164.5	116.4	117	-172.9	61.9	71.1	0	0	111.4	I2979	Q2977-I2979 HydrophobicContact CG-CB 3.85Å; Q2977-I2979 HydrophobicContact CG-CD1 3.84Å; Q2977-I2979 HydrophobicContact CG-CG1 3.71Å; Q2977-I2979 PolarHBondContact O-N 3.16Å
2978	D	33.4	Very low	32.4	Very low	133 Å²	133	143.4 Å²	143.4	71%	0.711	75%	0.746	S	S	*	*			trans	-48	123.9	161.8	-74.6	-41.3	0	0	0	112	H2976 I2980	H2976-D2978 IonicContact CG-OD2 3.62Å; H2976-D2978 IonicContact ND1-OD2 3.64Å; H2976-D2978 PolarHBondContact ND1-OD2 3.31Å; D2978-I2980 PolarHBondContact O-N 2.91Å
2979	I	33.4	Very low	32.1	Very low	139 Å²	139	145.7 Å²	145.7	71%	0.713	75%	0.748	S	S	*	*			trans	-94.2	126.6	157.6	-67.1	168.4	0	0	0	110.2	Q2977	Q2977-I2979 HydrophobicContact CG-CB 3.85Å; Q2977-I2979 HydrophobicContact CG-CD1 3.84Å; Q2977-I2979 HydrophobicContact CG-CG1 3.71Å; Q2977-I2979 PolarHBondContact O-N 3.16Å
2980	I	34.6	Very low	31.6	Very low	151.8 Å²	151.8	143.5 Å²	143.5	78%	0.778	74%	0.744	S	S	*	*			trans	87.1	115.9	158.7	-66.9	168.9	0	0	0	113.3	D2978 N2982	D2978-I2980 PolarHBondContact O-N 2.91Å; I2980-N2982 PolarHBondContact O-N 3.27Å; I2980-N2982 VanDerWaalsContact O-N 3.1Å
2981	E	29.8	Very low	31.3	Very low	172.2 Å²	172.2	142.7 Å²	142.7	81%	0.805	74%	0.739	S	S	*	*			trans	-99.8	140.8	153.8	-77.4	175.7	150.5	0	0	109.6
2982	N	30.4	Very low	31.1	Very low	126.8 Å²	126.8	141.8 Å²	141.8	68%	0.678	73%	0.734	S	S	*	*			trans	-162	115.7	131.7	-124.8	-45.7	0	0	0	111.8	I2980 Q2984	I2980-N2982 PolarHBondContact O-N 3.27Å; I2980-N2982 VanDerWaalsContact O-N 3.1Å; N2982-Q2984 VanDerWaalsContact C-N 3.32Å; N2982-Q2984 PolarHBondContact O-N 2.92Å; N2982-Q2984 PolarHBondContact OD1-NE2 2.93Å
2983	L	29.1	Very low	30.8	Very low	157.4 Å²	157.4	146.2 Å²	146.2	82%	0.824	74%	0.737	S	S	*	*			trans	-93.2	106.7	161.5	-104.3	73.3	0	0	0	110.3
2984	Q	32	Very low	30.8	Very low	162 Å²	162	145.4 Å²	145.4	76%	0.757	73%	0.733	S	S	*	*			trans	-127.4	118.7	145.5	-63.9	-163.2	11.3	0	0	111.2	N2982	N2982-Q2984 VanDerWaalsContact C-N 3.32Å; N2982-Q2984 PolarHBondContact O-N 2.92Å; N2982-Q2984 PolarHBondContact OD1-NE2 2.93Å
2985	H	32.2	Very low	30.5	Very low	159.6 Å²	159.6	145.8 Å²	145.8	74%	0.739	74%	0.735	S	S	*	*			trans	55.9	134.6	163	-77.2	-89.5	0	0	0	114.9
2986	L	27.8	Very low	30.2	Very low	150.4 Å²	150.4	142.7 Å²	142.7	79%	0.787	73%	0.731	S	S	*	*				55	113.4	108.7	-81.1	83.4	0	0	0	115.2
2987	N	28.2	Very low	29.9	Very low	129.4 Å²	129.4	140.4 Å²	140.4	69%	0.692	73%	0.733	S	S	*	*				94.3	146.4	102.6	-151.7	32.9	0	0	0	115.2
2988	N	29.9	Very low	29.9	Very low	122 Å²	122	144.9 Å²	144.9	65%	0.652	74%	0.743	S	S	*	*			trans	118.4	137.2	165	-75.9	-18.7	0	0	0	113.6
2989	H	33.1	Very low	29.6	Very low	169 Å²	169	144 Å²	144	78%	0.782	75%	0.748	S	S	*	*				99.1	115.9	119.8	-74.3	-69	0	0	0	114.2
2990	S	26.4	Very low	29.3	Very low	99.4 Å²	99.4	140.7 Å²	140.7	70%	0.695	75%	0.747	S	S	*	*				175.8	127.1	87.9	66.7	0	0	0	0	112
2991	S	28.3	Very low	28.9	Very low	93.2 Å²	93.2	141.1 Å²	141.1	65%	0.652	75%	0.746	S	S	*	*			trans	107.6	148.1	156.8	-41.4	0	0	0	0	113.8
2992	N	31	Very low	28.9	Very low	126 Å²	126	139.3 Å²	139.3	67%	0.674	74%	0.741	S	S	*	*			trans	145.7	122.1	149.6	-76	-10.4	0	0	0	111.7	L2994	N2992-L2994 HydrophobicContact CB-CG 4.32Å; N2992-L2994 VanDerWaalsContact OD1-CD2 3.23Å; N2992-L2994 WeakPolarHBondContact OD1-CD2 3.21Å; N2992-L2994 WeakPolarHBondContact OD1-CG 3.19Å
2993	W	28.1	Very low	29	Very low	218.8 Å²	218.8	138.9 Å²	138.9	83%	0.829	74%	0.743	S	S	*	*				-130.3	144.4	114.2	-69	30.2	0	0	0	111.3
2994	L	30.3	Very low	29	Very low	132.2 Å²	132.2	138.7 Å²	138.7	69%	0.692	74%	0.743	S	S	*	*			trans	-134.3	137.4	-164.1	-94.4	172.7	0	0	0	112.5	N2992	N2992-L2994 HydrophobicContact CB-CG 4.32Å; N2992-L2994 VanDerWaalsContact OD1-CD2 3.23Å; N2992-L2994 WeakPolarHBondContact OD1-CD2 3.21Å; N2992-L2994 WeakPolarHBondContact OD1-CG 3.19Å
2995	L	28.4	Very low	28.9	Very low	151.8 Å²	151.8	134.4 Å²	134.4	80%	0.795	74%	0.742	S	S	*	*			trans	-5.9	134.4	151.3	-79.6	132	0	0	0	114.1
2996	S	25	Very low	28.8	Very low	97.2 Å²	97.2	132.6 Å²	132.6	68%	0.68	74%	0.738	S	S	*	*				80.4	117.4	84.9	-149.5	0	0	0	0	116.3
2997	S	27.9	Very low	28.9	Very low	108.8 Å²	108.8	129.8 Å²	129.8	76%	0.761	73%	0.731	S	S	*	*			trans	75.5	130.6	130.7	-64.7	0	0	0	0	119.4
2998	R	28.5	Very low	28.9	Very low	242 Å²	242	130.2 Å²	130.2	91%	0.913	73%	0.733	S	S	*	*			trans	115	118.5	136.9	-128.8	174.1	-180	-125.8	-0.1	115.7	G3000	R2998-G3000 PolarHBondContact O-N 3.32Å; R2998-G3000 VanDerWaalsContact O-N 3.15Å
2999	S	27.3	Very low	28.9	Very low	115.6 Å²	115.6	131.4 Å²	131.4	81%	0.808	74%	0.739	S	S	*	*			cis	133.8	127.4	47.1	-173.3	0	0	0	0	111.8
3000	G	27.4	Very low	28.8	Very low	68.2 Å²	68.2	132.1 Å²	132.1	70%	0.703	74%	0.743	S	S	*	*			trans	-159.2	96.4	173.3	0	0	0	0	0	113.9	R2998 L3002	R2998-G3000 PolarHBondContact O-N 3.32Å; R2998-G3000 VanDerWaalsContact O-N 3.15Å; G3000-L3002 PolarHBondContact O-N 2.74Å
3001	H	26.9	Very low	29	Very low	161.6 Å²	161.6	138.2 Å²	138.2	75%	0.748	75%	0.75	S	S	*	*			trans	25.9	110.7	140.1	-152.8	61.9	0	0	0	114.7
3002	L	29.5	Very low	29.1	Very low	134.2 Å²	134.2	139.2 Å²	139.2	70%	0.703	75%	0.752	S	S	*	*				86.1	124.9	129.3	-74.4	173.2	0	0	0	116.2	G3000 N3004	G3000-L3002 PolarHBondContact O-N 2.74Å; L3002-N3004 PolarHBondContact O-N 3.07Å
3003	V	32.5	Very low	29.1	Very low	119 Å²	119	138 Å²	138	72%	0.721	75%	0.754	S	S	*	*			trans	-22.9	129.7	154.5	179.6	0	0	0	0	113.4	T3479	V3003-T3479 HydrophobicContact CG1-CG2 3.63Å
3004	N	28.2	Very low	29.2	Very low	152.6 Å²	152.6	135.9 Å²	135.9	82%	0.816	75%	0.753	S	S	*	*			trans	-72.8	137.3	170.9	-172.1	14.1	0	0	0	113.9	L3002 N3006	L3002-N3004 PolarHBondContact O-N 3.07Å; N3004-N3006 PolarHBondContact OD1-N 3.11Å
3005	G	30.2	Very low	29.2	Very low	71 Å²	71	134.7 Å²	134.7	73%	0.732	76%	0.755	S	S	*	*			trans	-154.1	53.3	-174.7	0	0	0	0	0	116.5	S3007	G3005-S3007 PolarHBondContact O-N 2.97Å
3006	N	29.1	Very low	29.2	Very low	122.4 Å²	122.4	133.9 Å²	133.9	66%	0.655	76%	0.757	S	S	*	*			trans	-34.6	119.3	164.2	-174.7	17.9	0	0	0	115.3	N3004	N3004-N3006 PolarHBondContact OD1-N 3.11Å
3007	S	30	Very low	29.6	Very low	92.4 Å²	92.4	134.3 Å²	134.3	65%	0.646	76%	0.759	S	S	*	*			trans	148.8	132.8	150.1	49.9	0	0	0	0	116.2	G3005	G3005-S3007 PolarHBondContact O-N 2.97Å
3008	N	28.6	Very low	29.8	Very low	137.4 Å²	137.4	134.2 Å²	134.2	74%	0.735	75%	0.754	S	S	*	*			trans	-107.3	122.4	151.8	-82.9	-50.2	0	0	0	114.2	H3010	N3008-H3010 PolarHBondContact O-N 3.22Å
3009	N	30.7	Very low	30	Very low	147.6 Å²	147.6	129 Å²	129	79%	0.789	75%	0.745	S	S	*	*			trans	-41.8	124.9	145.2	-75.6	-55.7	0	0	0	113.8
3010	H	30.7	Very low	30.5	Very low	183 Å²	183	131.3 Å²	131.3	85%	0.847	75%	0.748	S	S	*	*			trans	-143.4	129.5	137.8	-102.2	61.7	0	0	0	112	N3008	N3008-H3010 PolarHBondContact O-N 3.22Å
3011	R	29.8	Very low	31	Very low	226.6 Å²	226.6	134.1 Å²	134.1	86%	0.855	75%	0.751	S	S	*	*			trans	-164.8	127.5	133.9	-159.2	-172.7	-173.2	-146.6	2.3	112
3012	V	31.6	Very low	31.4	Very low	115.2 Å²	115.2	133.7 Å²	133.7	70%	0.698	75%	0.754	S	S	*	*			trans	72	115.1	166.5	-173.5	0	0	0	0	112.5
3013	S	29.9	Very low	31.8	Very low	100.4 Å²	100.4	133.5 Å²	133.5	70%	0.702	76%	0.759	S	S	*	*				-179.4	126.6	115.6	-57.1	0	0	0	0	114.2
3014	H	30.9	Very low	31.6	Very low	175.6 Å²	175.6	134.7 Å²	134.7	81%	0.813	76%	0.761	S	S	*	*			trans	-121.2	125.1	161.2	-69.7	-69.9	0	0	0	111.5
3015	S	29.8	Very low	31.6	Very low	106 Å²	106	137.3 Å²	137.3	74%	0.741	76%	0.761	S	S	*	*			trans	-162.1	124.2	130.6	46.5	0	0	0	0	110.6
3016	V	29.6	Very low	31.6	Very low	135.4 Å²	135.4	141 Å²	141	82%	0.821	76%	0.764	S	S	*	*				102.7	126.7	110.8	178.8	0	0	0	0	112.8
3017	S	32.8	Very low	31.6	Very low	105.2 Å²	105.2	140.7 Å²	140.7	74%	0.736	77%	0.766	S	S	*	*			trans	43.9	136.2	171	-105.4	0	0	0	0	115.9
3018	T	32.8	Very low	31.7	Very low	107.4 Å²	107.4	144.6 Å²	144.6	66%	0.659	77%	0.774	S	S	*	*				-101	155.5	66	59.6	0	0	0	0	111.9
3019	D	31.3	Very low	31.8	Very low	133.2 Å²	133.2	143.7 Å²	143.7	71%	0.712	78%	0.779	S	S	*	*			trans	72.8	109.5	147.1	-43	-45.4	0	0	0	116.7	V3021	D3019-V3021 HydrophobicContact CB-CG2 4.18Å
3020	D	38	Very low	31.7	Very low	162.6 Å²	162.6	143.9 Å²	143.9	87%	0.87	78%	0.779	S	S	*	*			trans	-148.8	117.8	134.1	-79.8	-43	0	0	0	110.7
3021	V	37.8	Very low	31.6	Very low	127 Å²	127	141.3 Å²	141.3	77%	0.77	77%	0.772	S	S	*	*				-176.7	116.1	123.7	177.3	0	0	0	0	110.4	D3019	D3019-V3021 HydrophobicContact CB-CG2 4.18Å
3022	D	34.7	Very low	31.7	Very low	153 Å²	153	138.2 Å²	138.2	82%	0.818	77%	0.767	S	S	*	*			trans	-90.3	121.8	170.9	-83.6	-48.7	0	0	0	112.7	N3024	D3022-N3024 VanDerWaalsContact C-N 3.25Å; D3022-N3024 PolarHBondContact O-N 3.36Å
3023	T	38.3	Very low	31.6	Very low	130.6 Å²	130.6	141 Å²	141	80%	0.801	77%	0.771	S	S	*	*			trans	-127.5	113.2	152.9	7.5	0	0	0	0	111.6	Y3025	T3023-Y3025 PolarHBondContact O-N 2.95Å
3024	N	29.7	Very low	31.6	Very low	144.6 Å²	144.6	142.2 Å²	142.2	77%	0.773	77%	0.769	S	S	*	*			trans	-122.8	129.1	154.4	-173.4	19.6	0	0	0	109.4	D3022 N3026	D3022-N3024 VanDerWaalsContact C-N 3.25Å; D3022-N3024 PolarHBondContact O-N 3.36Å; N3024-N3026 PolarHBondContact O-N 3.45Å; N3024-N3026 VanDerWaalsContact O-N 3.07Å
3025	Y	26.9	Very low	31.6	Very low	206.4 Å²	206.4	140.7 Å²	140.7	81%	0.809	76%	0.763	S	S	*	*			trans	-98	123.7	162	-95.6	-94.9	0	0	0	109.5	T3023 V3027	T3023-Y3025 PolarHBondContact O-N 2.95Å; Y3025-V3027 HydrophobicContact CD1-CG2 4.11Å; Y3025-V3027 PolarHBondContact O-N 3.25Å
3026	N	30.6	Very low	31.8	Very low	148 Å²	148	142.5 Å²	142.5	79%	0.791	76%	0.759	S	S	*	*			trans	-108.1	118.9	156.8	-168.2	22.2	0	0	0	110.6	N3024	N3024-N3026 PolarHBondContact O-N 3.45Å; N3024-N3026 VanDerWaalsContact O-N 3.07Å
3027	V	28.2	Very low	31.8	Very low	116.8 Å²	116.8	144.4 Å²	144.4	71%	0.708	76%	0.759	S	S	*	*			trans	-130.3	113.3	178	-179.6	0	0	0	0	109	Y3025 S3029	Y3025-V3027 HydrophobicContact CD1-CG2 4.11Å; Y3025-V3027 PolarHBondContact O-N 3.25Å; V3027-S3029 VanDerWaalsContact C-N 3.34Å; V3027-S3029 PolarHBondContact O-N 3Å
3028	E	32.4	Very low	31.9	Very low	174.2 Å²	174.2	147.2 Å²	147.2	81%	0.814	76%	0.762	S	S	*	*			trans	-135.3	108.8	161	-80.6	172.9	173.1	0	0	110.9	L3030	E3028-L3030 PolarHBondContact O-N 3.18Å
3029	S	30.3	Very low	32	Very low	118.8 Å²	118.8	147.2 Å²	147.2	83%	0.831	76%	0.762	S	S	*	*			trans	-82.2	82.6	151.3	-176.5	0	0	0	0	110.9	V3027 D3031	V3027-S3029 VanDerWaalsContact C-N 3.34Å; V3027-S3029 PolarHBondContact O-N 3Å; S3029-D3031 PolarHBondContact O-N 3.43Å
3030	L	30.1	Very low	32.2	Very low	151.6 Å²	151.6	147.9 Å²	147.9	79%	0.794	77%	0.766	S	S	*	*			trans	-104.3	116.6	149.9	-174.8	66.8	0	0	0	110.7	E3028 H3032	E3028-L3030 PolarHBondContact O-N 3.18Å; L3030-H3032 HydrophobicContact CD1-CB 3.97Å
3031	D	28.5	Very low	32.1	Very low	129 Å²	129	145.1 Å²	145.1	69%	0.69	76%	0.759	S	S	*	*			trans	-100.2	115.5	161.2	-121.1	-7.1	0	0	0	114.5	S3029	S3029-D3031 PolarHBondContact O-N 3.43Å
3032	H	31.1	Very low	32.4	Very low	161.6 Å²	161.6	147 Å²	147	75%	0.748	76%	0.764	S	S	*	*			trans	71.8	102	146.3	-66.4	-42.4	0	0	0	115.5	L3030	L3030-H3032 HydrophobicContact CD1-CB 3.97Å
3033	H	29.4	Very low	33	Very low	172.6 Å²	172.6	148.1 Å²	148.1	80%	0.799	77%	0.769	S	S	*	*				-140.9	112.4	107.6	-144.7	75.1	0	0	0	110.8	H3035	H3033-H3035 PolarHBondContact O-N 2.86Å
3034	L	30.4	Very low	33	Very low	125.6 Å²	125.6	145.4 Å²	145.4	66%	0.658	76%	0.76	S	S	*	*			trans	-118.8	100	156.7	-162.8	72.3	0	0	0	112.8	H3036	L3034-H3036 VanDerWaalsContact C-N 3.26Å; L3034-H3036 PolarHBondContact O-N 3.15Å
3035	H	31.4	Very low	33.3	Very low	145 Å²	145	145.6 Å²	145.6	67%	0.671	76%	0.761	S	S	*	*			trans	-90.5	93.6	159.1	-139.9	67.6	0	0	0	113.9	H3033 Q3037 M3038	H3033-H3035 PolarHBondContact O-N 2.86Å; H3035-Q3037 PolarHBondContact NE2-NE2 3.43Å; H3035-Q3037 PolarHBondContact O-N 2.95Å; H3035-M3038 WeakPolarHBondContact NE2-CG 3.27Å
3036	H	34.3	Very low	34.2	Very low	143.2 Å²	143.2	141 Å²	141	66%	0.663	76%	0.757	S	S	*	*			trans	-81.7	104.7	160.9	-72.4	-60.7	0	0	0	112.6	L3034 M3038	L3034-H3036 VanDerWaalsContact C-N 3.26Å; L3034-H3036 PolarHBondContact O-N 3.15Å; H3036-M3038 VanDerWaalsContact C-N 3.27Å; H3036-M3038 WeakPolarHBondContact ND1-CE 3.39Å; H3036-M3038 PolarHBondContact O-N 3.12Å
3037	Q	29.8	Very low	34.9	Very low	175.2 Å²	175.2	140.9 Å²	140.9	82%	0.819	76%	0.756	S	S	*	*			trans	-98.2	112.2	149.6	-77.6	174.7	-3.4	0	0	109.5	H3035	H3035-Q3037 PolarHBondContact NE2-NE2 3.43Å; H3035-Q3037 PolarHBondContact O-N 2.95Å
3038	M	34.1	Very low	35.6	Very low	164.2 Å²	164.2	142.4 Å²	142.4	81%	0.809	76%	0.759	S	S	*	*			trans	-131.1	110	164.4	-81.8	-169	-70.5	0	0	109.2	H3035 H3036	H3035-M3038 WeakPolarHBondContact NE2-CG 3.27Å; H3036-M3038 VanDerWaalsContact C-N 3.27Å; H3036-M3038 WeakPolarHBondContact ND1-CE 3.39Å; H3036-M3038 PolarHBondContact O-N 3.12Å
3039	T	34.7	Very low	36.2	Very low	107.6 Å²	107.6	141.4 Å²	141.4	66%	0.66	76%	0.759	S	S	*	*			trans	-108.5	120.1	158.3	49.6	0	0	0	0	110.5	S3041	T3039-S3041 WeakPolarHBondContact CB-OG 3.36Å; T3039-S3041 WeakPolarHBondContact CG2-OG 3.3Å
3040	D	35.1	Very low	36.9	Very low	148.4 Å²	148.4	139.5 Å²	139.5	79%	0.794	75%	0.751	S	S	*	*				46	80.3	121.3	-50.6	-30.8	0	0	0	114.7
3041	S	37.1	Very low	37.5	Very low	103.8 Å²	103.8	142.1 Å²	142.1	73%	0.726	75%	0.75	S	S	*	*			trans	-137.4	44	164.6	-65.7	0	0	0	0	113.2	T3039 L3043 A3044	T3039-S3041 WeakPolarHBondContact CB-OG 3.36Å; T3039-S3041 WeakPolarHBondContact CG2-OG 3.3Å; S3041-L3043 PolarHBondContact O-N 3.22Å; S3041-A3044 WeakPolarHBondContact O-CB 3.49Å; S3041-A3044 PolarHBondContact O-N 2.84Å
3042	L	43.7	Very low	38.5	Very low	167.6 Å²	167.6	142.5 Å²	142.5	88%	0.877	75%	0.753	S	S	*	*			trans	-105.7	48.1	167.9	-67.7	-179.5	0	0	0	112.3	A3044	L3042-A3044 HydrophobicContact CD2-CB 4.09Å; L3042-A3044 PolarHBondContact O-N 3.4Å
3043	L	46.4	Very low	39.1	Very low	176 Å²	176	139.9 Å²	139.9	92%	0.921	75%	0.753	S	S	*	*	S	Bend	trans	-122.5	39	168.8	-98.6	129.3	0	0	0	112.9	S3041 N3045	S3041-L3043 PolarHBondContact O-N 3.22Å; L3043-N3045 PolarHBondContact O-N 2.97Å; L3043-N3045 VanDerWaalsContact O-N 3.15Å
3044	A	38.5	Very low	40	Very low	73.4 Å²	73.4	139.9 Å²	139.9	61%	0.607	75%	0.753	S	S	*	*			trans	-119	87.6	166.6	0	0	0	0	0	110.2	S3041 L3042 P3046	S3041-A3044 WeakPolarHBondContact O-CB 3.49Å; S3041-A3044 PolarHBondContact O-N 2.84Å; L3042-A3044 HydrophobicContact CD2-CB 4.09Å; L3042-A3044 PolarHBondContact O-N 3.4Å; A3044-P3046 WeakPolarHBondContact O-CD 3.22Å
3045	N	36.2	Very low	40.7	Very low	148.2 Å²	148.2	142.2 Å²	142.2	79%	0.793	77%	0.765	S	S	*	*			trans	-98.3	106.1	173.3	-67.6	-38	0	0	0	110.1	L3043 D3047	L3043-N3045 PolarHBondContact O-N 2.97Å; L3043-N3045 VanDerWaalsContact O-N 3.15Å; N3045-D3047 PolarHBondContact O-N 3.25Å
3046	P	46.7	Very low	41.3	Very low	110.4 Å²	110.4	138 Å²	138	72%	0.717	76%	0.761	S	S	*	*			trans	-116.4	96.7	132.3	36.9	-27.4	0	0	0	113.3	A3044 L3048	A3044-P3046 WeakPolarHBondContact O-CD 3.22Å; P3046-L3048 PolarHBondContact O-N 3.21Å
3047	D	45.5	Very low	42.2	Very low	145.4 Å²	145.4	139.5 Å²	139.5	78%	0.778	77%	0.768	S	S	*	*			trans	-100.6	56.7	170.7	-74.4	-39.9	0	0	0	113.1	N3045 D3049 A3050	N3045-D3047 PolarHBondContact O-N 3.25Å; D3047-D3049 PolarHBondContact O-N 3.24Å; D3047-A3050 HydrophobicContact CB-CB 4.18Å; D3047-A3050 VanDerWaalsContact O-CB 3.26Å; D3047-A3050 WeakPolarHBondContact O-CB 3.19Å; D3047-A3050 PolarHBondContact O-N 3.05Å
3048	L	42.9	Very low	43.2	Very low	148 Å²	148	138.7 Å²	138.7	78%	0.775	77%	0.77	S	S	*	*			trans	-92.1	5	171	-69.8	-179.1	0	0	0	113.5	P3046 A3050 R3051	P3046-L3048 PolarHBondContact O-N 3.21Å; L3048-A3050 PolarHBondContact O-N 3.26Å; L3048-A3050 VanDerWaalsContact O-N 3.14Å; L3048-R3051 PolarHBondContact O-N 2.87Å
3049	D	45	Very low	43.5	Very low	153.4 Å²	153.4	138.5 Å²	138.5	82%	0.82	77%	0.765	S	S	*	*			trans	-73.3	12.8	174.6	-82.8	-2.2	0	0	0	112.3	D3047 R3051 D3052 S3053	D3047-D3049 PolarHBondContact O-N 3.24Å; D3049-R3051 PolarHBondContact O-N 3.04Å; D3049-D3052 PolarHBondContact O-N 2.62Å; D3049-S3053 PolarHBondContact O-N 2.99Å
3050	A	44.8	Very low	43.8	Very low	80 Å²	80	140.3 Å²	140.3	66%	0.661	77%	0.77	S	S	*	*			trans	-82.7	64.4	175.1	0	0	0	0	0	112.6	D3047 L3048 D3052 S3254	D3047-A3050 HydrophobicContact CB-CB 4.18Å; D3047-A3050 VanDerWaalsContact O-CB 3.26Å; D3047-A3050 WeakPolarHBondContact O-CB 3.19Å; D3047-A3050 PolarHBondContact O-N 3.05Å; L3048-A3050 PolarHBondContact O-N 3.26Å; L3048-A3050 VanDerWaalsContact O-N 3.14Å; A3050-D3052 PolarHBondContact O-N 2.72Å; A3050-S3254 WeakPolarHBondContact O-CB 2.87Å; A3050-S3254 PolarHBondContact O-OG 2.99Å
3051	R	42.3	Very low	43.9	Very low	205.2 Å²	205.2	142.2 Å²	142.2	77%	0.774	77%	0.768	S	S	*	*			trans	-107.5	57.9	144	-68.5	-166.3	73.6	168.8	3.4	114	L3048 D3049 S3053 E3054	L3048-R3051 PolarHBondContact O-N 2.87Å; D3049-R3051 PolarHBondContact O-N 3.04Å; R3051-S3053 PolarHBondContact O-N 3.32Å; R3051-E3054 IonicContact NH2-OE2 2.75Å; R3051-E3054 PolarHBondContact NH2-OE2 3.18Å
3052	D	49	Very low	43.9	Very low	137.2 Å²	137.2	142.9 Å²	142.9	73%	0.734	77%	0.768	S	S	*	*			trans	-122.9	44.6	165.7	-74.7	-8.4	0	0	0	112.4	D3049 A3050 E3054 Q3255 R3256	D3049-D3052 PolarHBondContact O-N 2.62Å; A3050-D3052 PolarHBondContact O-N 2.72Å; D3052-E3054 VanDerWaalsContact C-N 3.31Å; D3052-E3054 PolarHBondContact O-N 3.2Å; D3052-Q3255 WeakPolarHBondContact OD2-CA 3.44Å; D3052-Q3255 PolarHBondContact OD2-N 3.36Å; D3052-R3256 PolarHBondContact OD2-N 2.85Å; D3052-R3256 VanDerWaalsContact OD2-N 3.08Å
3053	S	43.9	Very low	43.7	Very low	108.4 Å²	108.4	140.6 Å²	140.6	76%	0.758	76%	0.761	S	S	*	*			trans	-116.2	69.8	161.9	-70.9	0	0	0	0	111.7	D3049 R3051 L3055	D3049-S3053 PolarHBondContact O-N 2.99Å; R3051-S3053 PolarHBondContact O-N 3.32Å; S3053-L3055 PolarHBondContact O-N 3.22Å
3054	E	47.8	Very low	43.2	Very low	171 Å²	171	137.3 Å²	137.3	80%	0.799	75%	0.75	S	S	*	*			trans	-131.2	58.9	160.1	-158.7	170.2	-168.5	0	0	113.6	R3051 D3052 G3056	R3051-E3054 IonicContact NH2-OE2 2.75Å; R3051-E3054 PolarHBondContact NH2-OE2 3.18Å; D3052-E3054 VanDerWaalsContact C-N 3.31Å; D3052-E3054 PolarHBondContact O-N 3.2Å; E3054-G3056 PolarHBondContact O-N 3.2Å; E3054-G3056 VanDerWaalsContact O-N 3.12Å
3055	L	45.7	Very low	43.3	Very low	174.8 Å²	174.8	142.1 Å²	142.1	92%	0.915	76%	0.76	S	S	*	*			trans	-124.6	84.4	157.2	-72.7	179.3	0	0	0	110	S3053	S3053-L3055 PolarHBondContact O-N 3.22Å
3056	G	44	Very low	43.3	Very low	57 Å²	57	143.4 Å²	143.4	59%	0.588	76%	0.761	S	S	*	*			trans	-137.6	103.7	173	0	0	0	0	0	110.9	E3054 D3058	E3054-G3056 PolarHBondContact O-N 3.2Å; E3054-G3056 VanDerWaalsContact O-N 3.12Å; G3056-D3058 VanDerWaalsContact C-N 3.28Å; G3056-D3058 PolarHBondContact O-N 3.23Å
3057	E	52.4	Low	42.7	Very low	174 Å²	174	145.5 Å²	145.5	81%	0.813	77%	0.765	S	S	*	*			trans	-59.9	87.4	166.4	-65.5	-165.1	-167.8	0	0	112.2	F3059	E3057-F3059 HydrophobicContact CB-CD2 4.2Å; E3057-F3059 WeakPolarHBondContact O-CD2 3.46Å; E3057-F3059 PolarHBondContact O-N 3.31Å; E3057-F3059 WeakPolarHBondContact OE2-CD2 3.35Å; E3057-F3059 WeakPolarHBondContact OE2-CE2 3.42Å
3058	D	52.1	Low	42	Very low	158 Å²	158	147.1 Å²	147.1	85%	0.845	77%	0.768	S	S	*	*			trans	-93.3	67.9	168.2	-91.4	-26.3	0	0	0	111.4	G3056 D3060	G3056-D3058 VanDerWaalsContact C-N 3.28Å; G3056-D3058 PolarHBondContact O-N 3.23Å; D3058-D3060 PolarHBondContact O-N 3.16Å
3059	F	39.6	Very low	41.5	Very low	159.8 Å²	159.8	145.2 Å²	145.2	70%	0.701	77%	0.767	S	S	*	*			trans	-57.6	97.4	160.3	-92.6	-89.2	0	0	0	113.2	E3057 Y3061	E3057-F3059 HydrophobicContact CB-CD2 4.2Å; E3057-F3059 WeakPolarHBondContact O-CD2 3.46Å; E3057-F3059 PolarHBondContact O-N 3.31Å; E3057-F3059 WeakPolarHBondContact OE2-CD2 3.35Å; E3057-F3059 WeakPolarHBondContact OE2-CE2 3.42Å; F3059-Y3061 VanDerWaalsContact C-N 3.3Å; F3059-Y3061 HydrophobicContact CB-CE2 4.49Å; F3059-Y3061 AromaticContact CD1-CD2 3.98Å; F3059-Y3061 HydrophobicContact CD1-CD2 4.2Å; F3059-Y3061 AromaticContact CD1-CE2 3.6Å; F3059-Y3061 HydrophobicContact CD1-CE2 3.6Å; F3059-Y3061 HydrophobicContact CE1-CD2 4.41Å; F3059-Y3061 AromaticContact CE1-CE2 3.65Å; F3059-Y3061 HydrophobicContact CE1-CE2 3.82Å; F3059-Y3061 AromaticContact CE1-CZ 3.82Å; F3059-Y3061 HydrophobicContact CG-CE2 4.34Å; F3059-Y3061 WeakPolarHBondContact O-CD2 3.28Å; F3059-Y3061 PolarHBondContact O-N 3.44Å
3060	D	41.8	Very low	40.9	Very low	146.8 Å²	146.8	146.1 Å²	146.1	79%	0.785	77%	0.768	S	S	*	*			trans	-111.1	100.1	149.4	-114.2	-20.6	0	0	0	112.7	D3058 T3062	D3058-D3060 PolarHBondContact O-N 3.16Å; D3060-T3062 VanDerWaalsContact C-N 3.3Å; D3060-T3062 PolarHBondContact O-N 3.12Å; D3060-T3062 PolarHBondContact O-OG1 2.85Å
3061	Y	36.3	Very low	40.3	Very low	188.4 Å²	188.4	150.1 Å²	150.1	74%	0.739	77%	0.772	S	S	*	*			trans	-36.1	113.7	160.3	-72.2	-84.6	0	0	0	115.6	F3059 T3063	F3059-Y3061 VanDerWaalsContact C-N 3.3Å; F3059-Y3061 HydrophobicContact CB-CE2 4.49Å; F3059-Y3061 AromaticContact CD1-CD2 3.98Å; F3059-Y3061 HydrophobicContact CD1-CD2 4.2Å; F3059-Y3061 AromaticContact CD1-CE2 3.6Å; F3059-Y3061 HydrophobicContact CD1-CE2 3.6Å; F3059-Y3061 HydrophobicContact CE1-CD2 4.41Å; F3059-Y3061 AromaticContact CE1-CE2 3.65Å; F3059-Y3061 HydrophobicContact CE1-CE2 3.82Å; F3059-Y3061 AromaticContact CE1-CZ 3.82Å; F3059-Y3061 HydrophobicContact CG-CE2 4.34Å; F3059-Y3061 WeakPolarHBondContact O-CD2 3.28Å; F3059-Y3061 PolarHBondContact O-N 3.44Å; Y3061-T3063 PolarHBondContact O-N 2.84Å
3062	T	37.6	Very low	39.6	Very low	118.4 Å²	118.4	145.2 Å²	145.2	73%	0.726	77%	0.769	S	S	*	*			trans	-90	118.5	151.4	53.1	0	0	0	0	113.7	N2637 D3060 P3064	N2637-T3062 WeakPolarHBondContact OD1-CA 3.03Å; D3060-T3062 VanDerWaalsContact C-N 3.3Å; D3060-T3062 PolarHBondContact O-N 3.12Å; D3060-T3062 PolarHBondContact O-OG1 2.85Å; T3062-P3064 WeakPolarHBondContact O-CD 3.32Å; T3062-P3064 VanDerWaalsContact O-N 3.1Å
3063	T	38.8	Very low	38.9	Very low	118.6 Å²	118.6	147 Å²	147	73%	0.728	77%	0.772	S	S	*	*			trans	-107.3	119.5	165.1	42	0	0	0	0	112.1	N2637 Y3061 E3065	N2637-T3063 HydrophobicContact CB-CG2 3.95Å; N2637-T3063 VanDerWaalsContact CG-N 3.33Å; N2637-T3063 PolarHBondContact OD1-N 2.87Å; Y3061-T3063 PolarHBondContact O-N 2.84Å; T3063-E3065 PolarHBondContact O-N 3.26Å
3064	P	35.7	Very low	38.2	Very low	106.2 Å²	106.2	146.9 Å²	146.9	69%	0.69	77%	0.769	S	S	*	*			trans	-94.8	100	179.5	20.7	-9.7	0	0	0	112.4	N2637 T3062 Q3066	N2637-P3064 HydrophobicContact CB-CG 3.98Å; N2637-P3064 WeakPolarHBondContact ND2-CD 3.31Å; N2637-P3064 VanDerWaalsContact ND2-CG 3.32Å; N2637-P3064 WeakPolarHBondContact ND2-CG 3.38Å; N2637-P3064 WeakPolarHBondContact O-CG 3.1Å; T3062-P3064 WeakPolarHBondContact O-CD 3.32Å; T3062-P3064 VanDerWaalsContact O-N 3.1Å; P3064-Q3066 PolarHBondContact O-N 2.93Å
3065	E	40.5	Very low	37.5	Very low	174 Å²	174	145 Å²	145	81%	0.813	77%	0.769	S	S	*	*			trans	-122	121.6	169.2	-78	-167.6	172.7	0	0	110	T3063	T3063-E3065 PolarHBondContact O-N 3.26Å
3066	Q	36.4	Very low	36.8	Very low	176.8 Å²	176.8	143.5 Å²	143.5	83%	0.826	76%	0.762	S	S	*	*			trans	-131.6	122.9	162.1	-78.6	175.2	-2.6	0	0	109.6	P3064	P3064-Q3066 PolarHBondContact O-N 2.93Å
3067	I	34.3	Very low	36.2	Very low	153.8 Å²	153.8	147.9 Å²	147.9	79%	0.789	77%	0.772	S	S	*	*			trans	-100.4	122.5	162.5	-67.2	169.7	0	0	0	110.2
3068	E	31.9	Very low	35.1	Very low	180 Å²	180	144.4 Å²	144.4	84%	0.841	77%	0.767	S	S	*	*			trans	-19.6	141.7	158	-143.6	171.1	-161.5	0	0	114.3	M3070	E3068-M3070 PolarHBondContact O-N 3.27Å
3069	S	32.7	Very low	34.2	Very low	108 Å²	108	145 Å²	145	76%	0.755	77%	0.77	S	S	*	*			trans	-102	128.6	170	-147	0	0	0	0	115	H3071	S3069-H3071 PolarHBondContact O-N 3.24Å
3070	M	32.5	Very low	33.8	Very low	172.2 Å²	172.2	140.7 Å²	140.7	85%	0.848	77%	0.771	S	S	*	*			trans	-53.6	109.4	142.5	-76	-90.1	-75	0	0	113.8	E3068	E3068-M3070 PolarHBondContact O-N 3.27Å
3071	H	32.2	Very low	33.4	Very low	162.8 Å²	162.8	142.6 Å²	142.6	75%	0.754	78%	0.775	S	S	*	*			trans	-106.9	133.8	163.9	-148	80.8	0	0	0	113.9	S3069 H3073	S3069-H3071 PolarHBondContact O-N 3.24Å; H3071-H3073 AromaticContact CE1-CD2 3.17Å; H3071-H3073 PolarHBondContact CE1-CD2 3.09Å; H3071-H3073 AromaticContact CE1-NE2 3.29Å; H3071-H3073 PolarHBondContact CE1-NE2 2.76Å; H3071-H3073 VanDerWaalsContact CE1-NE2 3.29Å; H3071-H3073 AromaticContact NE2-CD2 3.26Å; H3071-H3073 PolarHBondContact NE2-CD2 3.17Å; H3071-H3073 VanDerWaalsContact NE2-CD2 3.26Å; H3071-H3073 AromaticContact NE2-CG 3.98Å; H3071-H3073 AromaticContact NE2-NE2 3.9Å
3072	C	27.1	Very low	33	Very low	102.6 Å²	102.6	139.9 Å²	139.9	69%	0.693	77%	0.773	S	S	*	*			trans	-62	136.6	173.2	-63.1	0	0	0	0	114.8
3073	H	32.9	Very low	32.6	Very low	175.2 Å²	175.2	141.4 Å²	141.4	81%	0.811	78%	0.776	S	S	*	*				-136.1	148.4	128	-95.1	-67.5	0	0	0	113.1	H3071	H3071-H3073 AromaticContact CE1-CD2 3.17Å; H3071-H3073 PolarHBondContact CE1-CD2 3.09Å; H3071-H3073 AromaticContact CE1-NE2 3.29Å; H3071-H3073 PolarHBondContact CE1-NE2 2.76Å; H3071-H3073 VanDerWaalsContact CE1-NE2 3.29Å; H3071-H3073 AromaticContact NE2-CD2 3.26Å; H3071-H3073 PolarHBondContact NE2-CD2 3.17Å; H3071-H3073 VanDerWaalsContact NE2-CD2 3.26Å; H3071-H3073 AromaticContact NE2-CG 3.98Å; H3071-H3073 AromaticContact NE2-NE2 3.9Å
3074	P	31.1	Very low	32.2	Very low	105.6 Å²	105.6	141.7 Å²	141.7	69%	0.686	77%	0.774	S	S	*	*			trans	-99.8	162	-172.6	28.4	-22	0	0	0	115
3075	T	33	Very low	32	Very low	132.4 Å²	132.4	143.2 Å²	143.2	81%	0.812	77%	0.771	S	S	*	*			trans	-144.4	128.5	160.3	50.7	0	0	0	0	111.4
3076	N	29.5	Very low	31.6	Very low	142.2 Å²	142.2	141.4 Å²	141.4	76%	0.76	77%	0.767	S	S	*	*				162.8	131.7	97.4	-84.3	-18.8	0	0	0	113.4
3077	N	31.8	Very low	31.3	Very low	149.6 Å²	149.6	139.9 Å²	139.9	80%	0.8	77%	0.765	S	S	*	*			trans	109.4	118.6	132.9	-81.8	-11.5	0	0	0	118.6
3078	S	29.2	Very low	31	Very low	100.4 Å²	100.4	137.8 Å²	137.8	70%	0.702	76%	0.764	S	S	*	*			trans	-14.4	134.9	139.2	58.1	0	0	0	0	116.8
3079	N	34.3	Very low	30.9	Very low	170.2 Å²	170.2	134.3 Å²	134.3	91%	0.91	76%	0.759	S	S	*	*			trans	154.4	137.1	148.6	-78.5	-22.3	0	0	0	113.4
3080	G	30.6	Very low	30.8	Very low	69.6 Å²	69.6	134.5 Å²	134.5	72%	0.718	76%	0.76	S	S	*	*			trans	124.3	120.6	133.6	0	0	0	0	0	112.9
3081	E	32.6	Very low	30.7	Very low	186.6 Å²	186.6	136.1 Å²	136.1	87%	0.872	76%	0.763	S	S	*	*			trans	66.1	138.5	152.6	-57.9	-169.2	166.1	0	0	117.1
3082	N	28.2	Very low	30.7	Very low	131.8 Å²	131.8	133.3 Å²	133.3	71%	0.705	76%	0.761	S	S	*	*				96.8	115.9	111.7	-110.3	-32.5	0	0	0	116.7
3083	L	30.4	Very low	30.8	Very low	151.4 Å²	151.4	134.4 Å²	134.4	79%	0.793	76%	0.761	S	S	*	*			trans	71.6	122.5	134.7	-88.5	155.4	0	0	0	116.4
3084	N	29.8	Very low	31	Very low	124.6 Å²	124.6	136.9 Å²	136.9	67%	0.666	76%	0.763	S	S	*	*				179.4	143.5	123.1	-146	5	0	0	0	114.9	D2689	D2689-N3084 PolarHBondContact OD2-ND2 2.91Å
3085	Q	32.1	Very low	30.9	Very low	138.4 Å²	138.4	139.5 Å²	139.5	65%	0.647	77%	0.766	S	S	*	*			trans	-63.5	136.4	158.7	-69.5	174.5	30.4	0	0	114.3	D2689	D2689-Q3085 VanDerWaalsContact CG-NE2 3.34Å; D2689-Q3085 PolarHBondContact OD2-NE2 2.87Å
3086	N	31.9	Very low	31	Very low	135.6 Å²	135.6	141.3 Å²	141.3	73%	0.725	77%	0.767	S	S	*	*				161.2	135.7	127.1	-85.2	-38.2	0	0	0	116.3
3087	N	29.7	Very low	31	Very low	144.8 Å²	144.8	139.6 Å²	139.6	77%	0.774	76%	0.758	S	S	*	*			trans	9	119.1	155.4	-77.4	-37.6	0	0	0	116.5	S3089	N3087-S3089 PolarHBondContact O-N 3.44Å
3088	S	27.3	Very low	31.1	Very low	109.6 Å²	109.6	139.5 Å²	139.5	77%	0.766	76%	0.755	S	S	*	*			trans	-163.4	119.5	137.2	-63.1	0	0	0	0	114.8
3089	S	29.4	Very low	31.3	Very low	106.2 Å²	106.2	140.5 Å²	140.5	74%	0.743	75%	0.752	S	S	*	*			trans	76.2	138	132.8	73.1	0	0	0	0	115.3	N3087	N3087-S3089 PolarHBondContact O-N 3.44Å
3090	S	31.2	Very low	31	Very low	112 Å²	112	141.7 Å²	141.7	78%	0.783	75%	0.745	S	S	*	*			trans	155.2	127.1	158.8	-66.4	0	0	0	0	114.3
3091	K	31	Very low	31.1	Very low	206.6 Å²	206.6	145.2 Å²	145.2	90%	0.898	75%	0.746	S	S	*	*			trans	-120.4	120.9	153.7	-84.2	171	-175.1	164.5	0	110.6
3092	S	31.4	Very low	30.9	Very low	103.2 Å²	103.2	143.7 Å²	143.7	72%	0.722	74%	0.743	S	S	*	*			trans	-151.1	113.6	152.8	-161.5	0	0	0	0	111.2	R3094	S3092-R3094 PolarHBondContact O-N 3.36Å
3093	N	30.3	Very low	31.2	Very low	126.6 Å²	126.6	143.1 Å²	143.1	68%	0.677	75%	0.746	S	S	*	*			trans	-17.3	106	137.2	-177	21.2	0	0	0	112.7	A2654	A2654-N3093 PolarHBondContact O-ND2 3.03Å
3094	R	35.4	Very low	31.2	Very low	228 Å²	228	140.7 Å²	140.7	86%	0.86	74%	0.742	S	S	*	*			trans	-138.2	120.5	149.2	-84.5	179.3	-160.8	-151.2	1.6	111.4	T2655 S3092 M3096	T2655-R3094 WeakPolarHBondContact CA-O 3.35Å; T2655-R3094 PolarHBondContact N-O 3.35Å; S3092-R3094 PolarHBondContact O-N 3.36Å; R3094-M3096 PolarHBondContact O-N 2.98Å
3095	Q	29.9	Very low	31.2	Very low	160 Å²	160	141.6 Å²	141.6	75%	0.748	75%	0.747	S	S	*	*			trans	-78.6	139.9	167.2	-76.1	158.6	-51.3	0	0	110.5	T2655 M2827	T2655-Q3095 HydrophobicContact CG2-CB 4.45Å; T2655-Q3095 HydrophobicContact CG2-CG 3.95Å; M2827-Q3095 PolarHBondContact O-NE2 3.13Å
3096	M	33.7	Very low	31.3	Very low	169 Å²	169	142.3 Å²	142.3	83%	0.833	76%	0.755	S	S	*	*			trans	-98.5	132.1	154.4	-72.9	-60.4	-96.8	0	0	108.7	F2653 T2655 R3094	F2653-M3096 HydrophobicContact CD1-CE 4.2Å; F2653-M3096 HydrophobicContact CD1-SD 4.25Å; T2655-M3096 HydrophobicContact CG2-CB 4.31Å; T2655-M3096 HydrophobicContact CG2-CE 3.81Å; T2655-M3096 HydrophobicContact CG2-CG 3.63Å; T2655-M3096 VanDerWaalsContact CG2-N 3.31Å; T2655-M3096 HydrophobicContact CG2-SD 3.57Å; T2655-M3096 VanDerWaalsContact CG2-SD 3.57Å; R3094-M3096 PolarHBondContact O-N 2.98Å
3097	N	30.3	Very low	31.3	Very low	106.6 Å²	106.6	143 Å²	143	57%	0.57	76%	0.759	S	S	*	*			trans	-115.5	134.3	169.6	-175.7	26.8	0	0	0	110	K2830 N3099	K2830-N3097 WeakPolarHBondContact CA-OD1 3.32Å; N3097-N3099 PolarHBondContact OD1-N 3.16Å; N3097-N3099 PolarHBondContact OD1-OD1 2.8Å
3098	M	34.4	Very low	31.3	Very low	149 Å²	149	143.8 Å²	143.8	73%	0.734	76%	0.762	S	S	*	*			trans	-106.1	123.1	154.6	-72.8	-66.3	-164.1	0	0	113.9	N2680 Q2681 I2828 Y3100	N2680-M3098 VanDerWaalsContact O-SD 3.41Å; Q2681-M3098 VanDerWaalsContact O-CE 3.25Å; Q2681-M3098 WeakPolarHBondContact O-CE 3.46Å; I2828-M3098 VanDerWaalsContact CG2-C 3.41Å; I2828-M3098 WeakPolarHBondContact CG2-O 3.47Å; M3098-Y3100 PolarHBondContact O-N 3.49Å
3099	N	33.2	Very low	31.4	Very low	120 Å²	120	145.9 Å²	145.9	64%	0.642	76%	0.764	S	S	*	*			trans	-111	128.2	164.1	-102.5	-25.6	0	0	0	111.4	I2828 K2830 N3097 L3101	I2828-N3099 PolarHBondContact O-ND2 3.18Å; I2828-N3099 PolarHBondContact O-OD1 3.21Å; K2830-N3099 HydrophobicContact CD-CB 3.57Å; K2830-N3099 WeakPolarHBondContact CE-O 2.98Å; K2830-N3099 HydrophobicContact CG-CB 3.59Å; K2830-N3099 PolarHBondContact NZ-O 2.94Å; N3097-N3099 PolarHBondContact OD1-N 3.16Å; N3097-N3099 PolarHBondContact OD1-OD1 2.8Å; N3099-L3101 PolarHBondContact OD1-N 3.08Å
3100	Y	28.9	Very low	31.3	Very low	196.8 Å²	196.8	146.8 Å²	146.8	77%	0.772	77%	0.765	S	S	*	*			trans	-113.8	136	155.9	-78.3	-86	0	0	0	110.1	Q2681 M3098	Q2681-Y3100 WeakPolarHBondContact CA-OH 3.37Å; Q2681-Y3100 WeakPolarHBondContact CB-OH 3.48Å; Q2681-Y3100 HydrophobicContact CG-CE1 3.67Å; Q2681-Y3100 VanDerWaalsContact CG-OH 3.31Å; Q2681-Y3100 WeakPolarHBondContact CG-OH 3.07Å; Q2681-Y3100 PolarHBondContact OE1-OH 2.92Å; M3098-Y3100 PolarHBondContact O-N 3.49Å
3101	L	30.8	Very low	31.1	Very low	142.6 Å²	142.6	148.2 Å²	148.2	75%	0.747	76%	0.764	S	S	*	*			trans	-95.1	141.5	141	-118.6	64.3	0	0	0	114	K2830 N3099 P3103	K2830-L3101 HydrophobicContact CD-CD1 4.37Å; N3099-L3101 PolarHBondContact OD1-N 3.08Å; L3101-P3103 WeakPolarHBondContact O-CD 3.43Å
3102	I	29.2	Very low	31.1	Very low	155 Å²	155	145.4 Å²	145.4	80%	0.795	75%	0.754	S	S	*	*			trans	-100.5	152.6	164	-49.8	172.1	0	0	0	110.1
3103	P	35.6	Very low	31.2	Very low	118.4 Å²	118.4	147.4 Å²	147.4	77%	0.769	76%	0.756	S	S	*	*			trans	-112.3	160	-145.1	25.1	-8.6	0	0	0	113.6	L3101	L3101-P3103 WeakPolarHBondContact O-CD 3.43Å
3104	S	30.4	Very low	31	Very low	101.8 Å²	101.8	150.1 Å²	150.1	71%	0.712	76%	0.762	S	S	*	*			trans	-150	146.1	164.2	63.5	0	0	0	0	114.4
3105	N	29.5	Very low	30.9	Very low	143.4 Å²	143.4	147.4 Å²	147.4	77%	0.767	76%	0.762	S	S	*	*			trans	43.8	123.1	133.5	-74.8	-28.5	0	0	0	114.9
3106	N	33.1	Very low	30.8	Very low	153.4 Å²	153.4	147.7 Å²	147.7	82%	0.82	76%	0.761	S	S	*	*				-143.1	126.4	127.8	-90.8	-41.2	0	0	0	111.2
3107	N	31.9	Very low	30.6	Very low	149.2 Å²	149.2	147.7 Å²	147.7	80%	0.798	76%	0.758	S	S	*	*			trans	-127.2	103.4	169	-79.4	-44.1	0	0	0	111.6	L3109	N3107-L3109 HydrophobicContact CB-CD1 4.26Å
3108	L	30	Very low	30.5	Very low	161.4 Å²	161.4	149.5 Å²	149.5	85%	0.845	77%	0.768	S	S	*	*			trans	-166.4	98	132.6	-152.3	76.3	0	0	0	111.4
3109	L	29.2	Very low	30.2	Very low	155.2 Å²	155.2	149.3 Å²	149.3	81%	0.813	77%	0.77	S	S	*	*			trans	84.8	109.2	149.4	-99.8	105.8	0	0	0	115.1	N3107	N3107-L3109 HydrophobicContact CB-CD1 4.26Å
3110	T	28.3	Very low	30	Very low	125.2 Å²	125.2	149 Å²	149	77%	0.768	77%	0.772	S	S	*	*			trans	-104.3	122	148.2	42.1	0	0	0	0	113.2
3111	N	27.3	Very low	30	Very low	140.4 Å²	140.4	145.1 Å²	145.1	75%	0.751	77%	0.769	S	S	*	*				93.5	137.6	129.1	-132.7	-19.8	0	0	0	114.7
3112	Q	30.9	Very low	29.8	Very low	148.6 Å²	148.6	148.7 Å²	148.7	69%	0.694	77%	0.774	S	S	*	*			trans	77.9	102.7	154.6	-59.9	-72.1	-21.9	0	0	116.6
3113	N	31.8	Very low	29.7	Very low	144.4 Å²	144.4	148.5 Å²	148.5	77%	0.772	78%	0.775	S	S	*	*			trans	-164	128.6	135.3	-89.2	-45.7	0	0	0	112.4
3114	F	26.7	Very low	29.4	Very low	182.8 Å²	182.8	146.1 Å²	146.1	80%	0.802	77%	0.772	S	S	*	*			trans	47.5	113.5	139.8	-72.8	-82.2	0	0	0	116.6
3115	M	32.9	Very low	29.2	Very low	171.6 Å²	171.6	148.5 Å²	148.5	85%	0.845	78%	0.777	S	S	*	*			trans	-136.4	133.6	140.9	-92.1	-106.8	169.3	0	0	110
3116	K	28.9	Very low	29.4	Very low	167.4 Å²	167.4	149.1 Å²	149.1	73%	0.728	78%	0.779	S	S	*	*			trans	175.2	127.1	144.4	-125.1	-179	178	-177.9	0	112.9
3117	H	28.7	Very low	29.1	Very low	167.8 Å²	167.8	147.6 Å²	147.6	78%	0.777	77%	0.771	S	S	*	*			trans	173.2	140.1	145.9	-83.7	-82.4	0	0	0	112.9
3118	N	29.4	Very low	29.1	Very low	144.4 Å²	144.4	148.2 Å²	148.2	77%	0.772	77%	0.767	S	S	*	*			trans	51.9	142	156.6	-71.8	-11.4	0	0	0	116.5
3119	N	26.8	Very low	29	Very low	146 Å²	146	147.5 Å²	147.5	78%	0.781	76%	0.764	S	S	*	*			trans	85	126	142.8	-123.1	6.9	0	0	0	115
3120	T	29	Very low	29	Very low	112.8 Å²	112.8	146.8 Å²	146.8	69%	0.692	76%	0.761	S	S	*	*				116.3	117.1	103.2	-41.8	0	0	0	0	114.4
3121	T	29.5	Very low	29	Very low	114.8 Å²	114.8	147.2 Å²	147.2	70%	0.704	76%	0.759	S	S	*	*			trans	100.1	116.5	134.7	-57.4	0	0	0	0	116.6	N3123	T3121-N3123 HydrophobicContact CG2-CB 3.84Å
3122	Y	26.8	Very low	29.2	Very low	218.6 Å²	218.6	147.1 Å²	147.1	86%	0.857	76%	0.758	S	S	*	*			trans	43.5	125.2	138.6	-90.5	-106.2	0	0	0	114.5
3123	N	28.1	Very low	29	Very low	150.2 Å²	150.2	146.9 Å²	146.9	80%	0.803	76%	0.761	S	S	*	*				117.3	125.5	90.2	-127.7	-5.7	0	0	0	114.1	T3121	T3121-N3123 HydrophobicContact CG2-CB 3.84Å
3124	G	29.3	Very low	29	Very low	69 Å²	69	146.4 Å²	146.4	71%	0.711	76%	0.757	S	S	*	*			trans	156.9	103.5	-170	0	0	0	0	0	112.1	L3126	G3124-L3126 PolarHBondContact O-N 3.19Å
3125	N	25.6	Very low	29	Very low	152 Å²	152	142.3 Å²	142.3	81%	0.813	75%	0.751	S	S	*	*			trans	79.7	119.3	131	-124.6	-9.5	0	0	0	113.2
3126	L	33.3	Very low	28.9	Very low	156.2 Å²	156.2	139.3 Å²	139.3	82%	0.818	75%	0.747	S	S	*	*			trans	149.2	105.7	160.7	-80.9	164.2	0	0	0	112.4	G3124	G3124-L3126 PolarHBondContact O-N 3.19Å
3127	N	27.6	Very low	28.8	Very low	121.6 Å²	121.6	136.6 Å²	136.6	65%	0.65	75%	0.749	S	S	*	*				111.6	118.9	72.2	-144.4	19.3	0	0	0	114.1
3128	K	31.3	Very low	28.9	Very low	161.6 Å²	161.6	133.5 Å²	133.5	70%	0.703	75%	0.747	S	S	*	*			trans	69	115.9	137.4	-66.5	175.3	-174.8	159.1	0	117.5
3129	N	28.8	Very low	29	Very low	147.4 Å²	147.4	134.1 Å²	134.1	79%	0.788	75%	0.75	S	S	*	*				76	121.5	107.3	-61	0.1	0	0	0	111.9
3130	N	27.4	Very low	29.1	Very low	140.4 Å²	140.4	134.9 Å²	134.9	75%	0.751	75%	0.751	S	S	*	*				173	143.7	55.7	-150.2	14.3	0	0	0	113.3	N3132	N3130-N3132 PolarHBondContact OD1-OD1 3.41Å
3131	N	28.8	Very low	29.3	Very low	134 Å²	134	136.7 Å²	136.7	72%	0.717	76%	0.755	S	S	*	*			trans	-38.8	143.5	157.8	-78	-22	0	0	0	111.9
3132	N	32.2	Very low	29.4	Very low	138.4 Å²	138.4	141.3 Å²	141.3	74%	0.74	76%	0.759	S	S	*	*				-146.2	149.9	91.5	-86.1	-31.8	0	0	0	111.8	N3130	N3130-N3132 PolarHBondContact OD1-OD1 3.41Å
3133	N	25.7	Very low	29.7	Very low	142.8 Å²	142.8	137.1 Å²	137.1	76%	0.764	75%	0.75	S	S	*	*				38.3	149.5	123.8	-100.9	-4.7	0	0	0	113.6
3134	I	31.5	Very low	29.9	Very low	134 Å²	134	136 Å²	136	69%	0.687	74%	0.744	S	S	*	*			trans	151.8	119.4	143	-78.6	160.3	0	0	0	111.3	S3171 S3172 S3173 N3174	I3134-S3171 CarbonylContact O-C 3.59Å; I3134-S3172 CarbonylContact C-O 3.29Å; I3134-S3172 VanDerWaalsContact O-O 3.07Å; I3134-S3173 WeakPolarHBondContact CB-O 3.04Å; I3134-S3173 WeakPolarHBondContact CG2-O 3.19Å; I3134-N3174 HydrophobicContact CD1-CB 3.74Å
3135	S	27.5	Very low	30.3	Very low	96.6 Å²	96.6	138.9 Å²	138.9	68%	0.676	74%	0.744	S	S	*	*			trans	89.6	123.3	132	-52.3	0	0	0	0	116.4	S3171	S3135-S3171 VanDerWaalsContact CA-O 3.25Å; S3135-S3171 WeakPolarHBondContact CA-O 3.12Å; S3135-S3171 WeakPolarHBondContact CB-O 3.12Å; S3135-S3171 PolarHBondContact OG-O 3.04Å
3136	S	30.2	Very low	30.7	Very low	109.2 Å²	109.2	138 Å²	138	76%	0.764	74%	0.739	S	S	*	*			trans	151.3	123.8	148.1	-66.8	0	0	0	0	114.5	S3172 S3173	S3136-S3172 VanDerWaalsContact C-OG 3.3Å; S3136-S3172 PolarHBondContact N-OG 2.98Å; S3136-S3172 PolarHBondContact O-OG 3.08Å; S3136-S3173 WeakPolarHBondContact O-CB 3.23Å
3137	S	27.2	Very low	30.7	Very low	110 Å²	110	139.1 Å²	139.1	77%	0.769	74%	0.74	S	S	*	*			trans	-127.2	128.1	146	41.2	0	0	0	0	114.4
3138	S	31.2	Very low	31.1	Very low	103.8 Å²	103.8	140.9 Å²	140.9	73%	0.726	75%	0.746	S	S	*	*			trans	116.8	130	138	-10.9	0	0	0	0	117.2
3139	N	30.7	Very low	31.2	Very low	156.6 Å²	156.6	140.3 Å²	140.3	84%	0.837	75%	0.75	S	S	*	*			trans	109.6	115.9	136.8	-79.5	-13.3	0	0	0	118	I3141	N3139-I3141 PolarHBondContact O-N 3.4Å
3140	M	28.9	Very low	31.3	Very low	162.8 Å²	162.8	140.6 Å²	140.6	80%	0.802	75%	0.75	S	S	*	*			trans	-31.5	132.3	153.1	-66.5	-176.7	176.4	0	0	115.8	R3142	M3140-R3142 HydrophobicContact CB-CG 4.42Å; M3140-R3142 PolarHBondContact SD-NE 3.4Å; M3140-R3142 VanDerWaalsContact SD-NE 3.4Å; M3140-R3142 PolarHBondContact SD-NH2 3.14Å; M3140-R3142 VanDerWaalsContact SD-NH2 3.38Å
3141	I	33.2	Very low	31.4	Very low	150.8 Å²	150.8	142.9 Å²	142.9	77%	0.773	76%	0.757	S	S	*	*			trans	-157.3	115.5	138.8	-67.7	166.3	0	0	0	110.7	N3139 I3143	N3139-I3141 PolarHBondContact O-N 3.4Å; I3141-I3143 HydrophobicContact CG2-CD1 3.56Å; I3141-I3143 HydrophobicContact CG2-CG1 3.92Å
3142	R	32.8	Very low	31.4	Very low	211 Å²	211	140.4 Å²	140.4	80%	0.796	76%	0.755	S	S	*	*			trans	-113.2	126.4	147.4	-80.9	-179	-98.8	-155.7	-2	110.4	M3140	M3140-R3142 HydrophobicContact CB-CG 4.42Å; M3140-R3142 PolarHBondContact SD-NE 3.4Å; M3140-R3142 VanDerWaalsContact SD-NE 3.4Å; M3140-R3142 PolarHBondContact SD-NH2 3.14Å; M3140-R3142 VanDerWaalsContact SD-NH2 3.38Å
3143	I	32.5	Very low	31.2	Very low	130.8 Å²	130.8	138.2 Å²	138.2	67%	0.671	76%	0.756	S	S	*	*			trans	54.2	120.9	131.5	-60.7	170.8	0	0	0	110.7	I3141 D3145 Y3177	I3141-I3143 HydrophobicContact CG2-CD1 3.56Å; I3141-I3143 HydrophobicContact CG2-CG1 3.92Å; I3143-D3145 VanDerWaalsContact CG2-OD2 3.27Å; I3143-D3145 WeakPolarHBondContact CG2-OD2 3.43Å; I3143-Y3177 HydrophobicContact CD1-CE2 4Å; I3143-Y3177 HydrophobicContact CG2-CD1 4.1Å; I3143-Y3177 HydrophobicContact CG2-CD2 3.28Å; I3143-Y3177 HydrophobicContact CG2-CE1 4.37Å; I3143-Y3177 HydrophobicContact CG2-CE2 3.62Å; I3143-Y3177 HydrophobicContact CG2-CG 3.56Å
3144	N	32.6	Very low	31.5	Very low	126.4 Å²	126.4	139.4 Å²	139.4	68%	0.676	76%	0.761	S	S	*	*			trans	-143.2	108.7	153.3	-100.9	22.7	0	0	0	111.4	N3146	N3144-N3146 VanDerWaalsContact C-N 3.32Å; N3144-N3146 PolarHBondContact O-N 3.45Å; N3144-N3146 VanDerWaalsContact O-N 3.16Å
3145	D	37.3	Very low	31.3	Very low	130.8 Å²	130.8	140.7 Å²	140.7	70%	0.699	77%	0.769	S	S	*	*				-106	126.1	119.2	-72.7	-55.1	0	0	0	111.7	I3143 H3147	I3143-D3145 VanDerWaalsContact CG2-OD2 3.27Å; I3143-D3145 WeakPolarHBondContact CG2-OD2 3.43Å; D3145-H3147 VanDerWaalsContact C-N 3.33Å; D3145-H3147 PolarHBondContact O-N 3.19Å
3146	N	34.3	Very low	31.2	Very low	133.6 Å²	133.6	141.1 Å²	141.1	71%	0.714	77%	0.771	S	S	*	*			trans	-126.1	104.5	176.7	-85	-42.8	0	0	0	111.6	N3144	N3144-N3146 VanDerWaalsContact C-N 3.32Å; N3144-N3146 PolarHBondContact O-N 3.45Å; N3144-N3146 VanDerWaalsContact O-N 3.16Å
3147	H	34.1	Very low	31	Very low	178.8 Å²	178.8	142.1 Å²	142.1	83%	0.828	77%	0.773	S	S	*	*			trans	-81.4	106.3	153.1	-72.2	-72.4	0	0	0	114.4	D3145 L3149	D3145-H3147 VanDerWaalsContact C-N 3.33Å; D3145-H3147 PolarHBondContact O-N 3.19Å; H3147-L3149 VanDerWaalsContact C-N 3.27Å; H3147-L3149 PolarHBondContact O-N 3.45Å
3148	M	35.5	Very low	31	Very low	160 Å²	160	142.2 Å²	142.2	79%	0.788	77%	0.774	S	S	*	*			trans	-32.7	122.7	156.6	-72.1	-80.2	-75.1	0	0	113.9	L3150	M3148-L3150 HydrophobicContact CE-CD1 4.11Å; M3148-L3150 HydrophobicContact CE-CG 4.36Å; M3148-L3150 PolarHBondContact O-N 3.47Å
3149	L	32.8	Very low	30.9	Very low	148.8 Å²	148.8	143.4 Å²	143.4	78%	0.779	78%	0.777	S	S	*	*			trans	11	99.2	153.9	-59.7	175.2	0	0	0	115.4	H3147 A3152	H3147-L3149 VanDerWaalsContact C-N 3.27Å; H3147-L3149 PolarHBondContact O-N 3.45Å; L3149-A3152 HydrophobicContact CB-CB 4.48Å; L3149-A3152 HydrophobicContact CD1-CB 4.32Å; L3149-A3152 HydrophobicContact CD2-CB 4.03Å
3150	L	31.7	Very low	30.8	Very low	152.8 Å²	152.8	142.3 Å²	142.3	80%	0.8	78%	0.776	S	S	*	*			trans	-125	110.9	131.4	-98.8	129.6	0	0	0	110.4	M3148 A3152	M3148-L3150 HydrophobicContact CE-CD1 4.11Å; M3148-L3150 HydrophobicContact CE-CG 4.36Å; M3148-L3150 PolarHBondContact O-N 3.47Å; L3150-A3152 VanDerWaalsContact C-N 3.34Å; L3150-A3152 HydrophobicContact CD2-CB 4.24Å; L3150-A3152 PolarHBondContact O-N 2.94Å
3151	E	29.1	Very low	30.9	Very low	188.4 Å²	188.4	140.4 Å²	140.4	88%	0.88	78%	0.776	S	S	*	*				-99.6	116.9	127	-73.6	-136.2	158.2	0	0	110.8
3152	A	28.2	Very low	30.5	Very low	81.6 Å²	81.6	138.8 Å²	138.8	67%	0.674	78%	0.778	S	S	*	*			trans	-145	108.6	169.6	0	0	0	0	0	114.1	L3149 L3150	L3149-A3152 HydrophobicContact CB-CB 4.48Å; L3149-A3152 HydrophobicContact CD1-CB 4.32Å; L3149-A3152 HydrophobicContact CD2-CB 4.03Å; L3150-A3152 VanDerWaalsContact C-N 3.34Å; L3150-A3152 HydrophobicContact CD2-CB 4.24Å; L3150-A3152 PolarHBondContact O-N 2.94Å
3153	A	28.8	Very low	30.3	Very low	92.8 Å²	92.8	133.9 Å²	133.9	77%	0.767	78%	0.776	S	S	*	*			trans	54.4	105.6	161.3	0	0	0	0	0	115.1	L3155	A3153-L3155 PolarHBondContact O-N 2.88Å
3154	L	30.3	Very low	30.1	Very low	167.2 Å²	167.2	135.8 Å²	135.8	88%	0.875	78%	0.782	S	S	*	*			trans	-118.1	108.6	132.6	-65.9	175.4	0	0	0	114.1
3155	L	28.3	Very low	29.9	Very low	162.2 Å²	162.2	139.5 Å²	139.5	85%	0.849	79%	0.793	S	S	*	*			trans	-115.6	134	154.4	-75.7	173.6	0	0	0	113.6	A3153	A3153-L3155 PolarHBondContact O-N 2.88Å
3156	S	24.9	Very low	29.4	Very low	104.6 Å²	104.6	136.8 Å²	136.8	73%	0.731	80%	0.796	S	S	*	*			trans	-49.7	115.4	173.1	-58.1	0	0	0	0	114.5
3157	T	27.2	Very low	29.1	Very low	130.4 Å²	130.4	135.3 Å²	135.3	80%	0.8	80%	0.802	S	S	*	*			trans	62.3	118.5	132.9	56.6	0	0	0	0	115.8
3158	S	26.1	Very low	28.9	Very low	112.4 Å²	112.4	131.4 Å²	131.4	79%	0.786	80%	0.8	S	S	*	*			trans	-169.7	138.9	152.6	59.7	0	0	0	0	114.8
3159	T	29.9	Very low	28.6	Very low	128.6 Å²	128.6	129.7 Å²	129.7	79%	0.789	80%	0.799	S	S	*	*				100.1	119.2	109.7	51.4	0	0	0	0	116
3160	T	27.4	Very low	28.5	Very low	133 Å²	133	129.9 Å²	129.9	82%	0.816	80%	0.801	S	S	*	*			trans	-99.6	157.9	147.3	25.3	0	0	0	0	111.3
3161	P	31.5	Very low	28.4	Very low	122.6 Å²	122.6	127.2 Å²	127.2	80%	0.796	80%	0.795	S	S	*	*				-124.5	154.5	125.5	38.4	-28	0	0	0	115.5
3162	S	25.1	Very low	28.4	Very low	118.2 Å²	118.2	123.4 Å²	123.4	83%	0.827	79%	0.789	S	S	*	*			trans	-105.7	127.3	163.1	-72.6	0	0	0	0	114
3163	S	28.5	Very low	28.6	Very low	108.2 Å²	108.2	124.5 Å²	124.5	76%	0.757	79%	0.792	S	S	*	*			trans	-156.8	146.6	134.1	67.9	0	0	0	0	112.2
3164	Q	28.1	Very low	28.6	Very low	169.6 Å²	169.6	126.3 Å²	126.3	79%	0.793	79%	0.788	S	S	*	*				113.6	124.1	109.4	-133.8	172.4	20.9	0	0	115.3
3165	F	29.2	Very low	28.8	Very low	204.8 Å²	204.8	124.4 Å²	124.4	90%	0.898	78%	0.779	S	S	*	*			trans	-55.9	145	144.9	-78.7	-87.8	0	0	0	113.5
3166	G	25.5	Very low	29	Very low	74 Å²	74	122.7 Å²	122.7	76%	0.763	77%	0.771	S	S	*	*			cis	-169.7	133.1	-18.1	0	0	0	0	0	113
3167	A	28.8	Very low	29.2	Very low	101.6 Å²	101.6	127.5 Å²	127.5	84%	0.84	77%	0.774	S	S	*	*			trans	-150.2	129.2	164.9	0	0	0	0	0	111.6
3168	A	29.2	Very low	29.3	Very low	96.6 Å²	96.6	126 Å²	126	80%	0.798	77%	0.77	S	S	*	*			trans	-124.1	130.9	148.6	0	0	0	0	0	111.5
3169	V	30.7	Very low	29.6	Very low	126.2 Å²	126.2	126.3 Å²	126.3	77%	0.765	77%	0.766	S	S	*	*			trans	-143.8	110	165.5	171.8	0	0	0	0	110.5
3170	D	30.9	Very low	29.5	Very low	151.4 Å²	151.4	126.4 Å²	126.4	81%	0.81	76%	0.762	S	S	*	*			trans	-141.7	130.8	152.2	-76.1	-31.7	0	0	0	115.9
3171	S	29.1	Very low	29.7	Very low	97.8 Å²	97.8	127.1 Å²	127.1	68%	0.684	76%	0.755	S	S	*	*			trans	-126.6	119.5	175.7	-61.4	0	0	0	0	113.8	I3134 S3135 S3173	I3134-S3171 CarbonylContact O-C 3.59Å; S3135-S3171 VanDerWaalsContact CA-O 3.25Å; S3135-S3171 WeakPolarHBondContact CA-O 3.12Å; S3135-S3171 WeakPolarHBondContact CB-O 3.12Å; S3135-S3171 PolarHBondContact OG-O 3.04Å; S3171-S3173 PolarHBondContact O-N 3.49Å; S3171-S3173 VanDerWaalsContact O-N 3.17Å
3172	S	29.2	Very low	29.7	Very low	107 Å²	107	127.2 Å²	127.2	75%	0.748	75%	0.75	S	S	*	*			trans	66.4	111.7	139.9	74.3	0	0	0	0	118.2	I3134 S3136	I3134-S3172 CarbonylContact C-O 3.29Å; I3134-S3172 VanDerWaalsContact O-O 3.07Å; S3136-S3172 VanDerWaalsContact C-OG 3.3Å; S3136-S3172 PolarHBondContact N-OG 2.98Å; S3136-S3172 PolarHBondContact O-OG 3.08Å
3173	S	31.7	Very low	30.2	Very low	104.6 Å²	104.6	130.5 Å²	130.5	73%	0.731	75%	0.752	S	S	*	*			trans	-164.8	130.3	135.6	95.7	0	0	0	0	112.9	I3134 S3136 S3171	I3134-S3173 WeakPolarHBondContact CB-O 3.04Å; I3134-S3173 WeakPolarHBondContact CG2-O 3.19Å; S3136-S3173 WeakPolarHBondContact O-CB 3.23Å; S3171-S3173 PolarHBondContact O-N 3.49Å; S3171-S3173 VanDerWaalsContact O-N 3.17Å
3174	N	28.8	Very low	30.3	Very low	131.2 Å²	131.2	128.8 Å²	128.8	70%	0.702	75%	0.751	S	S	*	*			trans	-143.9	127.7	158.3	-164.7	56.9	0	0	0	111.9	I3134	I3134-N3174 HydrophobicContact CD1-CB 3.74Å
3175	D	35.5	Very low	30.4	Very low	126.8 Å²	126.8	130.7 Å²	130.7	68%	0.678	76%	0.757	S	S	*	*			trans	33	132	153.2	-62.3	-38.4	0	0	0	117.1
3176	N	31.4	Very low	30.5	Very low	127.2 Å²	127.2	129.8 Å²	129.8	68%	0.68	76%	0.755	S	S	*	*				121.3	123.5	129.3	-89.8	-48.1	0	0	0	115.8
3177	Y	29.4	Very low	30.7	Very low	204.8 Å²	204.8	133.6 Å²	133.6	80%	0.803	76%	0.757	S	S	*	*			trans	48.4	135.5	149.1	-67.4	-80.6	0	0	0	116.6	I3143	I3143-Y3177 HydrophobicContact CD1-CE2 4Å; I3143-Y3177 HydrophobicContact CG2-CD1 4.1Å; I3143-Y3177 HydrophobicContact CG2-CD2 3.28Å; I3143-Y3177 HydrophobicContact CG2-CE1 4.37Å; I3143-Y3177 HydrophobicContact CG2-CE2 3.62Å; I3143-Y3177 HydrophobicContact CG2-CG 3.56Å
3178	S	29.9	Very low	30.8	Very low	99.8 Å²	99.8	135.2 Å²	135.2	70%	0.698	75%	0.75	S	S	*	*			trans	-146.9	129.6	130.8	-157.3	0	0	0	0	111.4
3179	V	31.1	Very low	30.9	Very low	117.6 Å²	117.6	137.4 Å²	137.4	71%	0.713	75%	0.748	S	S	*	*			trans	40.3	104.1	151.6	179.6	0	0	0	0	114.8	H3181	V3179-H3181 VanDerWaalsContact CG1-ND1 3.32Å; V3179-H3181 WeakPolarHBondContact CG1-ND1 3.37Å
3180	N	29.4	Very low	30.8	Very low	131.2 Å²	131.2	138.4 Å²	138.4	70%	0.702	75%	0.75	S	S	*	*			trans	95.8	128	136.9	-152.1	2.7	0	0	0	117.5	N3182	N3180-N3182 PolarHBondContact O-N 2.83Å; N3180-N3182 PolarHBondContact OD1-ND2 2.87Å
3181	H	31.7	Very low	30.8	Very low	147 Å²	147	136.2 Å²	136.2	68%	0.681	75%	0.747	S	S	*	*			trans	-161.6	122.4	152.6	-95.8	48.4	0	0	0	116.5	V3179	V3179-H3181 VanDerWaalsContact CG1-ND1 3.32Å; V3179-H3181 WeakPolarHBondContact CG1-ND1 3.37Å
3182	N	30.5	Very low	30.9	Very low	125.8 Å²	125.8	136.9 Å²	136.9	67%	0.673	75%	0.751	S	S	*	*			trans	46.9	119.3	141.4	-75.1	-41.6	0	0	0	117.9	N3180 G3184	N3180-N3182 PolarHBondContact O-N 2.83Å; N3180-N3182 PolarHBondContact OD1-ND2 2.87Å; N3182-G3184 PolarHBondContact O-N 3.13Å
3183	H	35.3	Very low	31.1	Very low	187.6 Å²	187.6	136.7 Å²	136.7	87%	0.869	75%	0.749	S	S	*	*			trans	-143.1	131.7	141.7	-72.1	-57.4	0	0	0	112.5
3184	G	30.3	Very low	31.2	Very low	72.2 Å²	72.2	139.3 Å²	139.3	74%	0.744	76%	0.755	S	S	*	*			trans	175	101.9	160.9	0	0	0	0	0	114.1	N3182 Q3186	N3182-G3184 PolarHBondContact O-N 3.13Å; G3184-Q3186 PolarHBondContact O-N 3.08Å; G3184-Q3186 VanDerWaalsContact O-N 3.14Å
3185	K	31.9	Very low	31.7	Very low	209.8 Å²	209.8	139.3 Å²	139.3	91%	0.912	75%	0.754	S	S	*	*			trans	-42	112.7	177.7	-60.8	177.3	180	-178.8	0	112.3
3186	Q	29.6	Very low	31.8	Very low	185.4 Å²	185.4	139.8 Å²	139.8	87%	0.866	76%	0.757	S	S	*	*				-160.9	132.6	126.8	-109.1	-173.3	13.9	0	0	110.8	G3184 I3188	G3184-Q3186 PolarHBondContact O-N 3.08Å; G3184-Q3186 VanDerWaalsContact O-N 3.14Å; Q3186-I3188 VanDerWaalsContact C-N 3.31Å; Q3186-I3188 HydrophobicContact CB-CG1 4.19Å; Q3186-I3188 PolarHBondContact O-N 2.99Å; Q3186-I3188 VanDerWaalsContact O-N 3.16Å
3187	L	31.3	Very low	32.2	Very low	154.8 Å²	154.8	139.5 Å²	139.5	81%	0.81	75%	0.754	S	S	*	*			trans	-118.1	125.6	173.5	-155.9	73.1	0	0	0	107.7	N3189	L3187-N3189 VanDerWaalsContact C-N 3.27Å; L3187-N3189 PolarHBondContact O-N 3.23Å
3188	I	29.7	Very low	33.2	Very low	133.4 Å²	133.4	136.8 Å²	136.8	68%	0.684	75%	0.754	S	S	*	*			trans	-50.1	108.6	168.4	-54.8	176.6	0	0	0	111.1	Q3186 N3190	Q3186-I3188 VanDerWaalsContact C-N 3.31Å; Q3186-I3188 HydrophobicContact CB-CG1 4.19Å; Q3186-I3188 PolarHBondContact O-N 2.99Å; Q3186-I3188 VanDerWaalsContact O-N 3.16Å; I3188-N3190 VanDerWaalsContact C-N 3.34Å; I3188-N3190 WeakPolarHBondContact CG2-OD1 3.23Å; I3188-N3190 PolarHBondContact O-N 2.82Å; I3188-N3190 VanDerWaalsContact O-N 3.12Å
3189	N	30.7	Very low	34.1	Very low	142.8 Å²	142.8	139.2 Å²	139.2	76%	0.764	76%	0.759	S	S	*	*			trans	-121.5	108.9	146.5	-95.9	-6.3	0	0	0	108.6	L3187 S3191	L3187-N3189 VanDerWaalsContact C-N 3.27Å; L3187-N3189 PolarHBondContact O-N 3.23Å; N3189-S3191 PolarHBondContact O-N 3.18Å
3190	N	29.6	Very low	34.6	Very low	148 Å²	148	139.5 Å²	139.5	79%	0.791	76%	0.756	S	S	*	*			trans	-70.3	119.2	172.4	-75.7	-5.6	0	0	0	109.1	I3188 S3192	I3188-N3190 VanDerWaalsContact C-N 3.34Å; I3188-N3190 WeakPolarHBondContact CG2-OD1 3.23Å; I3188-N3190 PolarHBondContact O-N 2.82Å; I3188-N3190 VanDerWaalsContact O-N 3.12Å; N3190-S3192 PolarHBondContact O-N 2.95Å
3191	S	30.1	Very low	35.6	Very low	106.4 Å²	106.4	138.7 Å²	138.7	74%	0.744	76%	0.756	S	S	*	*			trans	-77.3	126.7	159.5	-59.5	0	0	0	0	110.3	N3189 S3193	N3189-S3191 PolarHBondContact O-N 3.18Å; S3191-S3193 PolarHBondContact O-N 3.07Å; S3191-S3193 VanDerWaalsContact O-N 3.16Å
3192	S	31.1	Very low	36.3	Very low	111 Å²	111	136.2 Å²	136.2	78%	0.776	76%	0.755	S	S	*	*			trans	-68.5	123.8	159.2	48.9	0	0	0	0	112.6	N3190 N3194	N3190-S3192 PolarHBondContact O-N 2.95Å; S3192-N3194 PolarHBondContact O-N 2.89Å
3193	S	34.5	Very low	37.2	Very low	102.4 Å²	102.4	138.3 Å²	138.3	72%	0.716	76%	0.761	S	S	*	*			trans	-66.9	104.3	157.7	56	0	0	0	0	111.8	S3191 I3195	S3191-S3193 PolarHBondContact O-N 3.07Å; S3191-S3193 VanDerWaalsContact O-N 3.16Å; S3193-I3195 PolarHBondContact O-N 3.03Å; S3193-I3195 VanDerWaalsContact O-N 3.1Å
3194	N	34	Very low	37.8	Very low	159.8 Å²	159.8	137.1 Å²	137.1	86%	0.855	76%	0.756	S	S	*	*			trans	-87.5	121.3	149.1	-112.6	15.7	0	0	0	107	S3192 D3196	S3192-N3194 PolarHBondContact O-N 2.89Å; N3194-D3196 PolarHBondContact O-N 2.89Å
3195	I	38.8	Very low	38.3	Very low	132.2 Å²	132.2	140.3 Å²	140.3	68%	0.678	76%	0.755	S	S	*	*			trans	-102.1	118.5	170.7	-65	175.4	0	0	0	105.6	S3193 L3197 L3200	S3193-I3195 PolarHBondContact O-N 3.03Å; S3193-I3195 VanDerWaalsContact O-N 3.1Å; I3195-L3197 HydrophobicContact CG2-CD1 4.09Å; I3195-L3197 HydrophobicContact CG2-CG 4.12Å; I3195-L3197 PolarHBondContact O-N 3.17Å; I3195-L3197 VanDerWaalsContact O-N 3.16Å; I3195-L3200 HydrophobicContact CG2-CD1 4.11Å
3196	D	38.1	Very low	38.7	Very low	136.2 Å²	136.2	139 Å²	139	73%	0.728	75%	0.749	S	S	*	*			trans	-75.6	125	178.6	-134.8	-22.3	0	0	0	109.1	N3194 D3198 D3199	N3194-D3196 PolarHBondContact O-N 2.89Å; D3196-D3198 PolarHBondContact O-N 3.08Å; D3196-D3199 PolarHBondContact O-N 3.5Å
3197	L	39.2	Very low	39.2	Very low	120.8 Å²	120.8	133.9 Å²	133.9	63%	0.632	74%	0.739	S	S	*	*			trans	-111	12.1	-168	-96.9	120.5	0	0	0	113.8	I3195 D3199 L3200	I3195-L3197 HydrophobicContact CG2-CD1 4.09Å; I3195-L3197 HydrophobicContact CG2-CG 4.12Å; I3195-L3197 PolarHBondContact O-N 3.17Å; I3195-L3197 VanDerWaalsContact O-N 3.16Å; L3197-D3199 PolarHBondContact O-N 3.11Å; L3197-L3200 HydrophobicContact CD2-CD1 4.12Å; L3197-L3200 HydrophobicContact CG-CD1 4.3Å; L3197-L3200 VanDerWaalsContact O-CB 3.3Å; L3197-L3200 WeakPolarHBondContact O-CB 3.37Å; L3197-L3200 PolarHBondContact O-N 3.26Å
3198	D	50.9	Low	39.2	Very low	148.4 Å²	148.4	136.5 Å²	136.5	79%	0.794	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-5.2	177.5	-80.2	-9.9	0	0	0	114.1	K2813 D3196 L3200	K2813-D3198 IonicContact NZ-OD2 2.99Å; K2813-D3198 PolarHBondContact NZ-OD2 3.35Å; D3196-D3198 PolarHBondContact O-N 3.08Å; D3198-L3200 VanDerWaalsContact C-N 3.34Å; D3198-L3200 PolarHBondContact O-N 3.36Å
3199	D	48.6	Very low	39.4	Very low	150.6 Å²	150.6	138.4 Å²	138.4	81%	0.805	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-1.8	-179.5	-101.6	-12.2	0	0	0	114.2	D3196 L3197 T3201	D3196-D3199 PolarHBondContact O-N 3.5Å; L3197-D3199 PolarHBondContact O-N 3.11Å; D3199-T3201 VanDerWaalsContact C-N 3.28Å; D3199-T3201 PolarHBondContact O-N 3.04Å
3200	L	41.8	Very low	39.4	Very low	124.6 Å²	124.6	134.9 Å²	134.9	65%	0.652	74%	0.743	S	S	*	*			trans	-92	83.9	176.6	-65.9	-177.1	0	0	0	112.1	I3195 L3197 D3198	I3195-L3200 HydrophobicContact CG2-CD1 4.11Å; L3197-L3200 HydrophobicContact CD2-CD1 4.12Å; L3197-L3200 HydrophobicContact CG-CD1 4.3Å; L3197-L3200 VanDerWaalsContact O-CB 3.3Å; L3197-L3200 WeakPolarHBondContact O-CB 3.37Å; L3197-L3200 PolarHBondContact O-N 3.26Å; D3198-L3200 VanDerWaalsContact C-N 3.34Å; D3198-L3200 PolarHBondContact O-N 3.36Å
3201	T	49.9	Very low	39.5	Very low	113 Å²	113	136.9 Å²	136.9	69%	0.693	75%	0.748	S	S	*	*			trans	-63.9	145.8	174.9	54.8	0	0	0	0	112.2	D3199 E3203 E3204	D3199-T3201 VanDerWaalsContact C-N 3.28Å; D3199-T3201 PolarHBondContact O-N 3.04Å; T3201-E3203 VanDerWaalsContact C-N 3.32Å; T3201-E3203 PolarHBondContact O-N 3.02Å; T3201-E3204 PolarHBondContact O-N 2.98Å; T3201-E3204 VanDerWaalsContact O-N 3.11Å
3202	S	47.3	Very low	39.5	Very low	95.6 Å²	95.6	139.7 Å²	139.7	67%	0.669	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	7.3	-164.6	50.6	0	0	0	0	117.6	L3205 F3206	S3202-L3205 VanDerWaalsContact O-CB 3.28Å; S3202-L3205 WeakPolarHBondContact O-CB 3.25Å; S3202-L3205 WeakPolarHBondContact O-CG 3.11Å; S3202-L3205 PolarHBondContact O-N 3.38Å; S3202-F3206 WeakPolarHBondContact O-CD2 3.01Å
3203	E	47.7	Very low	39.4	Very low	168.6 Å²	168.6	137.5 Å²	137.5	79%	0.788	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-19.2	179.2	-66	-165.4	-170.5	0	0	113.8	T3201 L3205 F3206 A3207	T3201-E3203 VanDerWaalsContact C-N 3.32Å; T3201-E3203 PolarHBondContact O-N 3.02Å; E3203-L3205 VanDerWaalsContact C-N 3.33Å; E3203-L3205 PolarHBondContact O-N 3.12Å; E3203-F3206 PolarHBondContact O-N 3.06Å; E3203-A3207 PolarHBondContact O-N 3.1Å
3204	E	47.9	Very low	39.3	Very low	163.2 Å²	163.2	142 Å²	142	76%	0.763	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	5.4	170.6	-69.3	-162.8	146.2	0	0	113.1	T3201 F3206 A3207	T3201-E3204 PolarHBondContact O-N 2.98Å; T3201-E3204 VanDerWaalsContact O-N 3.11Å; E3204-F3206 VanDerWaalsContact C-N 3.29Å; E3204-F3206 PolarHBondContact O-N 3.26Å; E3204-A3207 PolarHBondContact O-N 3.06Å
3205	L	42.2	Very low	39.1	Very low	138.8 Å²	138.8	143.7 Å²	143.7	73%	0.727	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	9.6	161.1	-80.9	170	0	0	0	113.2	S3202 E3203 A3207	S3202-L3205 VanDerWaalsContact O-CB 3.28Å; S3202-L3205 WeakPolarHBondContact O-CB 3.25Å; S3202-L3205 WeakPolarHBondContact O-CG 3.11Å; S3202-L3205 PolarHBondContact O-N 3.38Å; E3203-L3205 VanDerWaalsContact C-N 3.33Å; E3203-L3205 PolarHBondContact O-N 3.12Å; L3205-A3207 PolarHBondContact O-N 3.41Å
3206	F	39	Very low	38.9	Very low	182.4 Å²	182.4	144.6 Å²	144.6	80%	0.8	76%	0.762	S	S	*	*	S	Bend	trans	-125.6	46.5	167.4	-74.3	-70.2	0	0	0	113.7	S3202 E3203 E3204 Y3208 H3209	S3202-F3206 WeakPolarHBondContact O-CD2 3.01Å; E3203-F3206 PolarHBondContact O-N 3.06Å; E3204-F3206 VanDerWaalsContact C-N 3.29Å; E3204-F3206 PolarHBondContact O-N 3.26Å; F3206-Y3208 PolarHBondContact O-N 3.13Å; F3206-Y3208 VanDerWaalsContact O-N 3.08Å; F3206-H3209 PolarHBondContact O-N 3.01Å
3207	A	41.1	Very low	38.5	Very low	79.2 Å²	79.2	144.9 Å²	144.9	66%	0.655	76%	0.764	S	S	*	*			trans	-93.1	42.5	174.4	0	0	0	0	0	114.4	E3203 E3204 L3205	E3203-A3207 PolarHBondContact O-N 3.1Å; E3204-A3207 PolarHBondContact O-N 3.06Å; L3205-A3207 PolarHBondContact O-N 3.41Å
3208	Y	31.8	Very low	37.9	Very low	208.4 Å²	208.4	146.5 Å²	146.5	82%	0.817	77%	0.773	S	S	*	*	S	Bend	trans	-127.9	86	165.4	-97.7	-92.6	0	0	0	112.7	F3206	F3206-Y3208 PolarHBondContact O-N 3.13Å; F3206-Y3208 VanDerWaalsContact O-N 3.08Å
3209	H	33.2	Very low	36.8	Very low	174.4 Å²	174.4	144.9 Å²	144.9	81%	0.807	77%	0.769	S	S	*	*			trans	-140.2	120.5	130.2	-75.2	4.6	0	0	0	111.4	F3206 Q3211	F3206-H3209 PolarHBondContact O-N 3.01Å; H3209-Q3211 PolarHBondContact O-N 3.01Å
3210	G	30.9	Very low	36	Very low	69.8 Å²	69.8	142.9 Å²	142.9	72%	0.72	77%	0.767	S	S	*	*			trans	145.8	101.9	160.2	0	0	0	0	0	114.9	I3212	G3210-I3212 PolarHBondContact O-N 2.94Å; G3210-I3212 VanDerWaalsContact O-N 3.1Å
3211	Q	31.2	Very low	35.4	Very low	189.2 Å²	189.2	142.8 Å²	142.8	88%	0.884	77%	0.771	S	S	*	*			trans	-20.8	118	174.3	-69.8	-177.1	-3.4	0	0	112.7	H3209	H3209-Q3211 PolarHBondContact O-N 3.01Å
3212	I	30	Very low	34.4	Very low	165.4 Å²	165.4	143.4 Å²	143.4	85%	0.848	77%	0.77	S	S	*	*				83.4	106.7	118.6	-66.8	173.2	0	0	0	111	G3210	G3210-I3212 PolarHBondContact O-N 2.94Å; G3210-I3212 VanDerWaalsContact O-N 3.1Å
3213	G	29	Very low	33.6	Very low	65.4 Å²	65.4	144.4 Å²	144.4	67%	0.674	77%	0.772	S	S	*	*			trans	98.6	80.3	157.5	0	0	0	0	0	115.4	K3215	G3213-K3215 PolarHBondContact O-N 3.12Å
3214	Q	33.4	Very low	32.6	Very low	195.2 Å²	195.2	141.4 Å²	141.4	91%	0.912	76%	0.762	S	S	*	*				-129.9	105.6	118.4	-75.7	-173.6	40.7	0	0	113.3	L3216	Q3214-L3216 PolarHBondContact O-N 2.9Å
3215	K	30.1	Very low	31.7	Very low	196.2 Å²	196.2	140.1 Å²	140.1	85%	0.853	76%	0.76	S	S	*	*			trans	-110.5	125.7	151.2	-154.3	176.4	-178.5	180	0	111	G3213	G3213-K3215 PolarHBondContact O-N 3.12Å
3216	L	34.3	Very low	31.2	Very low	150.2 Å²	150.2	140.4 Å²	140.4	79%	0.786	76%	0.763	S	S	*	*			trans	14.6	127.7	163	-60.7	167.6	0	0	0	115.4	Q3214	Q3214-L3216 PolarHBondContact O-N 2.9Å
3217	N	28.3	Very low	30.8	Very low	143.6 Å²	143.6	140.2 Å²	140.2	77%	0.768	76%	0.764	S	S	*	*			trans	-127.3	124.1	142.5	-75.2	-34.5	0	0	0	114.7
3218	N	27.8	Very low	30.5	Very low	153.4 Å²	153.4	142.1 Å²	142.1	82%	0.82	77%	0.769	S	S	*	*			trans	-125.4	127	143.8	-77	-22.8	0	0	0	111.5
3219	T	27.9	Very low	30.3	Very low	116 Å²	116	137.3 Å²	137.3	71%	0.712	77%	0.766	S	S	*	*			trans	85.3	108.6	147.8	-48.3	0	0	0	0	113.7	V3221	T3219-V3221 VanDerWaalsContact C-N 3.32Å; T3219-V3221 HydrophobicContact CG2-CG2 3.96Å; T3219-V3221 VanDerWaalsContact CG2-CG2 3.49Å; T3219-V3221 PolarHBondContact O-N 2.87Å; T3219-V3221 VanDerWaalsContact O-N 3.08Å
3220	S	30.4	Very low	30.1	Very low	107.8 Å²	107.8	139.2 Å²	139.2	75%	0.754	77%	0.768	S	S	*	*			trans	-56.7	100	161.5	141.7	0	0	0	0	112.3	N3222	S3220-N3222 VanDerWaalsContact CA-N 3.34Å
3221	V	29.7	Very low	30	Very low	123.6 Å²	123.6	143.2 Å²	143.2	75%	0.749	77%	0.772	S	S	*	*			trans	-81.2	101.7	148.2	-163.5	0	0	0	0	112	T3219 T3223	T3219-V3221 VanDerWaalsContact C-N 3.32Å; T3219-V3221 HydrophobicContact CG2-CG2 3.96Å; T3219-V3221 VanDerWaalsContact CG2-CG2 3.49Å; T3219-V3221 PolarHBondContact O-N 2.87Å; T3219-V3221 VanDerWaalsContact O-N 3.08Å; V3221-T3223 HydrophobicContact CG1-CG2 3.53Å; V3221-T3223 VanDerWaalsContact CG1-OG1 3.28Å; V3221-T3223 WeakPolarHBondContact CG1-OG1 3.17Å; V3221-T3223 PolarHBondContact O-N 3.08Å
3222	N	28.3	Very low	29.8	Very low	126 Å²	126	143.9 Å²	143.9	67%	0.674	77%	0.768	S	S	*	*				63.8	101.4	121.4	-158.3	13.8	0	0	0	113.3	S3220 N3224	S3220-N3222 VanDerWaalsContact CA-N 3.34Å; N3222-N3224 PolarHBondContact OD1-ND2 3.27Å; N3222-N3224 PolarHBondContact OD1-OD1 3.32Å
3223	T	32	Very low	29.8	Very low	114.8 Å²	114.8	141.7 Å²	141.7	70%	0.704	76%	0.758	S	S	*	*				-127	132.8	123.4	40.2	0	0	0	0	110.5	V3221	V3221-T3223 HydrophobicContact CG1-CG2 3.53Å; V3221-T3223 VanDerWaalsContact CG1-OG1 3.28Å; V3221-T3223 WeakPolarHBondContact CG1-OG1 3.17Å; V3221-T3223 PolarHBondContact O-N 3.08Å
3224	N	25.4	Very low	29.8	Very low	107.4 Å²	107.4	145.2 Å²	145.2	57%	0.574	76%	0.76	S	S	*	*				111	123.1	70.6	-76.1	-15.8	0	0	0	112.8	N3222	N3222-N3224 PolarHBondContact OD1-ND2 3.27Å; N3222-N3224 PolarHBondContact OD1-OD1 3.32Å
3225	N	29	Very low	29.6	Very low	134.4 Å²	134.4	143.6 Å²	143.6	72%	0.719	75%	0.752	S	S	*	*			trans	81.8	111.1	134.7	-51.2	-28.7	0	0	0	115.6
3226	N	32.3	Very low	29.7	Very low	146.6 Å²	146.6	141.8 Å²	141.8	78%	0.784	75%	0.747	S	S	*	*				-177.6	128.7	107.9	-70.9	-17	0	0	0	112	P3228	N3226-P3228 VanDerWaalsContact O-CD 3.26Å; N3226-P3228 WeakPolarHBondContact O-CD 3.17Å
3227	E	30.4	Very low	29.4	Very low	177.8 Å²	177.8	143.6 Å²	143.6	83%	0.831	75%	0.749	S	S	*	*				-125.6	135.9	100.4	-77.4	-176	139.7	0	0	111.1	S3229	E3227-S3229 PolarHBondContact O-N 2.92Å
3228	P	34.2	Very low	29.4	Very low	117.6 Å²	117.6	144.9 Å²	144.9	76%	0.764	75%	0.747	S	S	*	*			trans	-99.5	124.1	156.3	34.2	-27.3	0	0	0	110.8	N3226 Y3230	N3226-P3228 VanDerWaalsContact O-CD 3.26Å; N3226-P3228 WeakPolarHBondContact O-CD 3.17Å; P3228-Y3230 PolarHBondContact O-N 3.17Å
3229	S	28.6	Very low	29.5	Very low	107.8 Å²	107.8	142.9 Å²	142.9	75%	0.754	74%	0.741	S	S	*	*			trans	-108.9	116.1	155.3	-69.6	0	0	0	0	112	E3227 L3231	E3227-S3229 PolarHBondContact O-N 2.92Å; S3229-L3231 PolarHBondContact O-N 2.8Å
3230	Y	29	Very low	29.5	Very low	215.6 Å²	215.6	144.6 Å²	144.6	85%	0.845	74%	0.741	S	S	*	*			trans	-87.8	122.6	156.4	-93.5	-92	0	0	0	112.5	P3228 Y3232	P3228-Y3230 PolarHBondContact O-N 3.17Å; Y3230-Y3232 PolarHBondContact O-N 2.89Å
3231	L	28.7	Very low	29.3	Very low	153.6 Å²	153.6	147.4 Å²	147.4	80%	0.804	74%	0.739	S	S	*	*			trans	33.6	97	151.6	-61.4	169.2	0	0	0	115.4	S3229	S3229-L3231 PolarHBondContact O-N 2.8Å
3232	Y	26.8	Very low	29.2	Very low	202.8 Å²	202.8	146.8 Å²	146.8	80%	0.795	74%	0.736	S	S	*	*			trans	-121.6	122.2	132.7	-162.2	-111.2	0	0	0	110.8	Y3230 I3234	Y3230-Y3232 PolarHBondContact O-N 2.89Å; Y3232-I3234 WeakPolarHBondContact CE1-O 3.41Å
3233	N	29.7	Very low	29.3	Very low	119 Å²	119	148.2 Å²	148.2	64%	0.636	74%	0.739	S	S	*	*			trans	-131.2	112.7	164.6	-104.6	-9.2	0	0	0	114.1	H3235	N3233-H3235 VanDerWaalsContact C-N 3.29Å; N3233-H3235 PolarHBondContact O-N 3.15Å
3234	I	29.6	Very low	29.2	Very low	140.2 Å²	140.2	149.1 Å²	149.1	72%	0.719	74%	0.74	S	S	*	*			trans	-108	120.5	143.2	-65.8	164	0	0	0	110.9	Y3232 Q3236	Y3232-I3234 WeakPolarHBondContact CE1-O 3.41Å; I3234-Q3236 HydrophobicContact CG2-CG 4.24Å
3235	H	28.8	Very low	29.6	Very low	162.2 Å²	162.2	150 Å²	150	75%	0.751	74%	0.744	S	S	*	*			trans	-79.5	116	162.5	-85	-66.3	0	0	0	112.4	N3233	N3233-H3235 VanDerWaalsContact C-N 3.29Å; N3233-H3235 PolarHBondContact O-N 3.15Å
3236	Q	31.6	Very low	29.6	Very low	158.2 Å²	158.2	151.9 Å²	151.9	74%	0.739	75%	0.749	S	S	*	*			trans	-98.8	140.4	139.1	-71.4	177	12.4	0	0	112.2	I3234	I3234-Q3236 HydrophobicContact CG2-CG 4.24Å
3237	F	29.8	Very low	29.6	Very low	187.4 Å²	187.4	152.6 Å²	152.6	82%	0.822	75%	0.751	S	S	*	*			trans	-106.3	130.8	145.7	-72.5	-83.7	0	0	0	110.9	Q2740 T3239	Q2740-F3237 VanDerWaalsContact OE1-CZ 3.27Å; F3237-T3239 PolarHBondContact O-N 2.91Å
3238	K	27.4	Very low	29.6	Very low	169.8 Å²	169.8	150.2 Å²	150.2	74%	0.738	74%	0.744	S	S	*	*				150.1	115	128.2	-158.6	178.1	177.7	179.2	0	112	I2743 Q3240	I2743-K3238 HydrophobicContact CG1-CD 4.23Å; K3238-Q3240 HydrophobicContact CG-CG 4.45Å
3239	T	30.2	Very low	29.4	Very low	113 Å²	113	151.2 Å²	151.2	69%	0.693	74%	0.744	S	S	*	*			trans	97.2	106.9	144.4	62.1	0	0	0	0	112.7	F3237	F3237-T3239 PolarHBondContact O-N 2.91Å
3240	Q	28.5	Very low	29.7	Very low	150 Å²	150	153.2 Å²	153.2	70%	0.701	75%	0.745	S	S	*	*				176.6	135.8	89.8	-81.8	-88.3	-11.9	0	0	110.9	K3238	K3238-Q3240 HydrophobicContact CG-CG 4.45Å
3241	F	25	Very low	29.7	Very low	166.6 Å²	166.6	147.2 Å²	147.2	73%	0.731	74%	0.736	S	S	*	*				103.3	153.6	69.6	-106.4	-80.8	0	0	0	114.5
3242	T	28.6	Very low	29.8	Very low	111 Å²	111	148.2 Å²	148.2	68%	0.681	74%	0.736	S	S	*	*			trans	105.6	137	142.9	28.2	0	0	0	0	115.1
3243	Q	29.8	Very low	29.9	Very low	157.4 Å²	157.4	146.3 Å²	146.3	74%	0.736	73%	0.734	S	S	*	*				161.6	128.8	74	-163	176.6	-23.9	0	0	111.4
3244	N	29.6	Very low	29.8	Very low	133.6 Å²	133.6	144.2 Å²	144.2	71%	0.714	73%	0.728	S	S	*	*			trans	-10.1	140.3	150.3	-64	0.3	0	0	0	114.4
3245	D	33.4	Very low	29.9	Very low	126.4 Å²	126.4	145.1 Å²	145.1	68%	0.676	73%	0.729	S	S	*	*				-119.3	146.4	117.2	-74.2	-36.7	0	0	0	110.6
3246	E	30.1	Very low	29.7	Very low	172.6 Å²	172.6	148.2 Å²	148.2	81%	0.807	73%	0.734	S	S	*	*				71.8	122.7	126.8	-70.5	-173.5	169.8	0	0	117.3	N3248	E3246-N3248 PolarHBondContact O-N 3.18Å
3247	L	32.8	Very low	29.6	Very low	161.2 Å²	161.2	147.3 Å²	147.3	84%	0.844	73%	0.733	S	S	*	*				164.5	101.6	99.6	-81	179.7	0	0	0	114.3
3248	N	28.8	Very low	29.5	Very low	127.2 Å²	127.2	144.7 Å²	144.7	68%	0.68	73%	0.733	S	S	*	*			trans	69.9	101.6	135.5	-169.7	26.2	0	0	0	116.6	E3246 N3250	E3246-N3248 PolarHBondContact O-N 3.18Å; N3248-N3250 PolarHBondContact O-N 3.21Å
3249	N	31.1	Very low	29.5	Very low	140 Å²	140	141.6 Å²	141.6	75%	0.749	73%	0.733	S	S	*	*			trans	141.1	117.9	137.9	-84.3	-34.4	0	0	0	116.4
3250	N	33.8	Very low	29.5	Very low	148.4 Å²	148.4	141.4 Å²	141.4	79%	0.794	74%	0.736	S	S	*	*			trans	-145.7	112.5	155.7	-79.4	-30.4	0	0	0	116.3	N3248	N3248-N3250 PolarHBondContact O-N 3.21Å
3251	S	30.1	Very low	29.5	Very low	91.2 Å²	91.2	141.4 Å²	141.4	64%	0.638	74%	0.736	S	S	*	*				100.4	114.5	107.9	-156.8	0	0	0	0	119.4
3252	H	29.9	Very low	29.7	Very low	173.4 Å²	173.4	142.4 Å²	142.4	80%	0.803	74%	0.735	S	S	*	*			trans	53.8	107.3	144.7	-61.2	-64.3	0	0	0	117.7
3253	H	28.8	Very low	29.9	Very low	163.4 Å²	163.4	143.2 Å²	143.2	76%	0.756	74%	0.735	S	S	*	*				95.4	127.2	101.4	-150.3	74.2	0	0	0	117.3	Q3255	H3253-Q3255 WeakPolarHBondContact CE1-CB 3.07Å; H3253-Q3255 WeakPolarHBondContact NE2-CB 3.03Å
3254	S	29.1	Very low	30	Very low	74 Å²	74	144.6 Å²	144.6	52%	0.517	74%	0.739	S	S	.	*				87	103.5	129.2	-158.1	0	0	0	0	120.4	A3050	A3050-S3254 WeakPolarHBondContact O-CB 2.87Å; A3050-S3254 PolarHBondContact O-OG 2.99Å
3255	Q	30.3	Very low	30	Very low	160.2 Å²	160.2	143.4 Å²	143.4	75%	0.749	74%	0.74	S	S	*	*			trans	60.7	110.3	132.5	-75.2	176.7	28.2	0	0	120.1	D3052 H3253 I3257	D3052-Q3255 WeakPolarHBondContact OD2-CA 3.44Å; D3052-Q3255 PolarHBondContact OD2-N 3.36Å; H3253-Q3255 WeakPolarHBondContact CE1-CB 3.07Å; H3253-Q3255 WeakPolarHBondContact NE2-CB 3.03Å; Q3255-I3257 HydrophobicContact CB-CD1 4.39Å; Q3255-I3257 HydrophobicContact CB-CG1 4.3Å; Q3255-I3257 HydrophobicContact CG-CD1 4.2Å; Q3255-I3257 HydrophobicContact CG-CG1 4.01Å; Q3255-I3257 PolarHBondContact O-N 2.88Å
3256	R	25.2	Very low	29.9	Very low	227 Å²	227	143.4 Å²	143.4	86%	0.857	75%	0.745	S	S	*	*			trans	97.6	118.5	135.3	-158.6	179.2	-166.9	172.7	5.1	116.4	D3052	D3052-R3256 PolarHBondContact OD2-N 2.85Å; D3052-R3256 VanDerWaalsContact OD2-N 3.08Å
3257	I	29.1	Very low	30.2	Very low	139.2 Å²	139.2	144.5 Å²	144.5	71%	0.714	75%	0.747	S	S	*	*			trans	75.8	123.5	165.4	-61.2	172.9	0	0	0	114.1	Q3255	Q3255-I3257 HydrophobicContact CB-CD1 4.39Å; Q3255-I3257 HydrophobicContact CB-CG1 4.3Å; Q3255-I3257 HydrophobicContact CG-CD1 4.2Å; Q3255-I3257 HydrophobicContact CG-CG1 4.01Å; Q3255-I3257 PolarHBondContact O-N 2.88Å
3258	T	27.5	Very low	30.3	Very low	132.4 Å²	132.4	144.3 Å²	144.3	81%	0.812	75%	0.747	S	S	*	*			trans	-97.4	132.4	158.3	42.4	0	0	0	0	113
3259	S	27.7	Very low	30.6	Very low	105.6 Å²	105.6	146.1 Å²	146.1	74%	0.738	76%	0.755	S	S	*	*			trans	-163.6	136.3	133.8	52.5	0	0	0	0	113.4
3260	S	29.4	Very low	30.8	Very low	107.8 Å²	107.8	144.5 Å²	144.5	75%	0.754	76%	0.755	S	S	*	*			trans	82.2	134	165.1	60.3	0	0	0	0	116
3261	E	29.3	Very low	30.8	Very low	149.8 Å²	149.8	148.8 Å²	148.8	70%	0.7	76%	0.76	S	S	*	*				147.8	155.1	70.4	-117.4	-170.2	26.6	0	0	116
3262	R	29.9	Very low	31.3	Very low	189.2 Å²	189.2	150.2 Å²	150.2	71%	0.714	77%	0.767	S	S	*	*			trans	109.2	128.8	169.8	-132.6	-179.8	-73.5	151	3.5	115.8
3263	D	32.8	Very low	31.8	Very low	128 Å²	128	147.4 Å²	147.4	68%	0.684	77%	0.767	S	S	*	*				-145.4	141.7	117.6	-86.2	-36.3	0	0	0	117.8	S3265	D3263-S3265 PolarHBondContact O-N 3Å; D3263-S3265 VanDerWaalsContact O-N 3.07Å
3264	K	30.4	Very low	32.2	Very low	186.8 Å²	186.8	147.3 Å²	147.3	81%	0.812	77%	0.771	S	S	*	*			trans	-47.6	125.1	153.4	-76.5	169.6	-178.7	166.1	0	114.2	V2635 T3266	V2635-K3264 WeakPolarHBondContact CG2-O 3.39Å; K3264-T3266 PolarHBondContact O-N 3.16Å
3265	S	30.9	Very low	33	Very low	106.6 Å²	106.6	148.9 Å²	148.9	75%	0.745	78%	0.78	S	S	*	*			trans	-118.4	127.5	152.2	72.4	0	0	0	0	112.6	D3263 K3267	D3263-S3265 PolarHBondContact O-N 3Å; D3263-S3265 VanDerWaalsContact O-N 3.07Å; S3265-K3267 PolarHBondContact O-N 3.12Å; S3265-K3267 VanDerWaalsContact O-N 3.09Å
3266	T	31.8	Very low	33.6	Very low	128 Å²	128	150.5 Å²	150.5	79%	0.785	79%	0.787	S	S	*	*			trans	-105.5	113.8	165.3	12.1	0	0	0	0	110.6	K3264 N3268	K3264-T3266 PolarHBondContact O-N 3.16Å; T3266-N3268 VanDerWaalsContact C-N 3.27Å; T3266-N3268 PolarHBondContact O-N 3.44Å
3267	K	35.6	Very low	34.6	Very low	195.4 Å²	195.4	146.9 Å²	146.9	85%	0.85	78%	0.784	S	S	*	*			trans	-80.4	106.9	142.7	-82.9	178.9	178.1	176.1	0	110.7	S3265 I3269	S3265-K3267 PolarHBondContact O-N 3.12Å; S3265-K3267 VanDerWaalsContact O-N 3.09Å; K3267-I3269 PolarHBondContact O-N 3.08Å; K3267-I3269 VanDerWaalsContact O-N 3.16Å
3268	N	35.5	Very low	35.3	Very low	157 Å²	157	143.7 Å²	143.7	84%	0.84	78%	0.778	S	S	*	*			trans	-74.2	124.5	165.2	-84.2	-33.1	0	0	0	110.2	T3266 S3270	T3266-N3268 VanDerWaalsContact C-N 3.27Å; T3266-N3268 PolarHBondContact O-N 3.44Å; N3268-S3270 PolarHBondContact O-N 2.73Å
3269	I	35.5	Very low	36.3	Very low	165 Å²	165	143.5 Å²	143.5	85%	0.846	78%	0.779	S	S	*	*			trans	-96.6	106.1	163.2	-64.1	175	0	0	0	107	K3267 R3271	K3267-I3269 PolarHBondContact O-N 3.08Å; K3267-I3269 VanDerWaalsContact O-N 3.16Å; I3269-R3271 PolarHBondContact O-N 2.92Å
3270	S	34.7	Very low	36.9	Very low	107 Å²	107	144.7 Å²	144.7	75%	0.748	78%	0.781	S	S	*	*			trans	-82.3	123.9	177.3	51.6	0	0	0	0	111.2	N3268	N3268-S3270 PolarHBondContact O-N 2.73Å
3271	R	34	Very low	37.7	Very low	237.2 Å²	237.2	144.9 Å²	144.9	90%	0.895	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-91.3	147.6	162.9	-87.1	-171.8	171.6	-174	-2.2	110.1	I3269 S3273	I3269-R3271 PolarHBondContact O-N 2.92Å; R3271-S3273 PolarHBondContact O-N 2.87Å
3272	P	39.1	Very low	38.4	Very low	121.6 Å²	121.6	145.5 Å²	145.5	79%	0.79	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-74.9	143.1	-167.5	20.6	-23.2	0	0	0	112.8
3273	S	41.7	Very low	39.1	Very low	114.4 Å²	114.4	140.8 Å²	140.8	80%	0.8	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70.9	139.8	170	46.6	0	0	0	0	111.6	R3271	R3271-S3273 PolarHBondContact O-N 2.87Å
3274	L	37.7	Very low	39.3	Very low	160.4 Å²	160.4	141 Å²	141	84%	0.84	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-80.3	157.3	164.1	-113.4	79.4	0	0	0	110.3	E3276	L3274-E3276 PolarHBondContact O-N 3.38Å
3275	P	45.1	Very low	39.8	Very low	108.8 Å²	108.8	140.6 Å²	140.6	71%	0.706	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70	145.9	-171.1	-10.7	21	0	0	0	114	I3277	P3275-I3277 PolarHBondContact O-N 3.1Å; P3275-I3277 VanDerWaalsContact O-N 3.08Å
3276	E	43.7	Very low	40.1	Very low	193 Å²	193	140 Å²	140	90%	0.902	78%	0.779	S	S	*	*			trans	-65.6	110.7	170	-175.8	-179.5	-179.5	0	0	110.5	L3274 A3278	L3274-E3276 PolarHBondContact O-N 3.38Å; E3276-A3278 PolarHBondContact O-N 2.98Å
3277	I	45.3	Very low	40.4	Very low	151.8 Å²	151.8	138.5 Å²	138.5	78%	0.778	77%	0.774	S	S	*	*			trans	-98.2	112.2	172.4	-60.3	175	0	0	0	107.6	P3275	P3275-I3277 PolarHBondContact O-N 3.1Å; P3275-I3277 VanDerWaalsContact O-N 3.08Å
3278	A	43.5	Very low	40.3	Very low	72.2 Å²	72.2	137.5 Å²	137.5	60%	0.597	77%	0.772	S	S	*	*			trans	-60.4	145.6	179.5	0	0	0	0	0	112.1	E3276 V3280	E3276-A3278 PolarHBondContact O-N 2.98Å; A3278-V3280 PolarHBondContact O-N 2.97Å
3279	P	48.6	Very low	40.4	Very low	127.2 Å²	127.2	135.7 Å²	135.7	83%	0.826	77%	0.769	S	S	*	*			trans	-65.7	118.7	-175.7	26.1	-34.4	0	0	0	111.7	S3281	P3279-S3281 PolarHBondContact O-N 3.14Å; P3279-S3281 VanDerWaalsContact O-N 3.13Å
3280	V	40.9	Very low	40.4	Very low	130.8 Å²	130.8	136 Å²	136	79%	0.793	77%	0.767	S	S	*	*			trans	-79.2	117.8	173	179.7	0	0	0	0	108.4	A3278 L3282	A3278-V3280 PolarHBondContact O-N 2.97Å; V3280-L3282 PolarHBondContact O-N 2.93Å; V3280-L3282 VanDerWaalsContact O-N 3.11Å
3281	S	45.7	Very low	40.4	Very low	112.8 Å²	112.8	136.5 Å²	136.5	79%	0.789	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-61	125.2	-178.4	-49.5	0	0	0	0	111.4	P3279	P3279-S3281 PolarHBondContact O-N 3.14Å; P3279-S3281 VanDerWaalsContact O-N 3.13Å
3282	L	44.9	Very low	40.3	Very low	161.6 Å²	161.6	132.8 Å²	132.8	85%	0.846	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-69.6	145.5	171.4	-71	169.8	0	0	0	110.2	V3280 D3284	V3280-L3282 PolarHBondContact O-N 2.93Å; V3280-L3282 VanDerWaalsContact O-N 3.11Å; L3282-D3284 PolarHBondContact O-N 2.97Å
3283	P	43.6	Very low	39.9	Very low	91.6 Å²	91.6	135.4 Å²	135.4	60%	0.595	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-64	135.6	-179.1	-20.4	32.5	0	0	0	112.4	F3285	P3283-F3285 HydrophobicContact CB-CD2 4.25Å; P3283-F3285 HydrophobicContact CB-CE2 3.96Å; P3283-F3285 HydrophobicContact CB-CZ 4.09Å; P3283-F3285 HydrophobicContact CG-CE2 4.21Å; P3283-F3285 HydrophobicContact CG-CZ 4.26Å; P3283-F3285 VanDerWaalsContact O-CD2 3.28Å; P3283-F3285 WeakPolarHBondContact O-CD2 3.29Å; P3283-F3285 WeakPolarHBondContact O-CE2 3.05Å; P3283-F3285 PolarHBondContact O-N 2.93Å; P3283-F3285 VanDerWaalsContact O-N 3.17Å
3284	D	38	Very low	39.4	Very low	131.2 Å²	131.2	138.5 Å²	138.5	70%	0.702	77%	0.769	S	S	*	*			trans	-76.8	110.1	176.8	-172.3	-13.2	0	0	0	110.5	L3282 S3286	L3282-D3284 PolarHBondContact O-N 2.97Å; D3284-S3286 VanDerWaalsContact C-N 3.29Å; D3284-S3286 VanDerWaalsContact CG-OG 3.23Å; D3284-S3286 PolarHBondContact O-N 3.25Å; D3284-S3286 VanDerWaalsContact OD1-CB 3.3Å; D3284-S3286 WeakPolarHBondContact OD1-CB 3.38Å; D3284-S3286 PolarHBondContact OD1-N 3.17Å; D3284-S3286 PolarHBondContact OD1-OG 2.97Å; D3284-S3286 PolarHBondContact OD2-OG 3.14Å
3285	F	39.7	Very low	39.1	Very low	178.2 Å²	178.2	135 Å²	135	78%	0.782	76%	0.764	S	S	*	*			trans	-90.7	25.3	-179.6	-73.7	-78.2	0	0	0	113.6	P3283 S3287	P3283-F3285 HydrophobicContact CB-CD2 4.25Å; P3283-F3285 HydrophobicContact CB-CE2 3.96Å; P3283-F3285 HydrophobicContact CB-CZ 4.09Å; P3283-F3285 HydrophobicContact CG-CE2 4.21Å; P3283-F3285 HydrophobicContact CG-CZ 4.26Å; P3283-F3285 VanDerWaalsContact O-CD2 3.28Å; P3283-F3285 WeakPolarHBondContact O-CD2 3.29Å; P3283-F3285 WeakPolarHBondContact O-CE2 3.05Å; P3283-F3285 PolarHBondContact O-N 2.93Å; P3283-F3285 VanDerWaalsContact O-N 3.17Å; F3285-S3287 VanDerWaalsContact C-N 3.31Å; F3285-S3287 PolarHBondContact O-N 3.2Å
3286	S	38.3	Very low	38.5	Very low	93.8 Å²	93.8	137.7 Å²	137.7	66%	0.656	77%	0.771	S	S	*	*			trans	-79	28.2	177.6	61.7	0	0	0	0	115.1	D3284 H3288	D3284-S3286 VanDerWaalsContact C-N 3.29Å; D3284-S3286 VanDerWaalsContact CG-OG 3.23Å; D3284-S3286 PolarHBondContact O-N 3.25Å; D3284-S3286 VanDerWaalsContact OD1-CB 3.3Å; D3284-S3286 WeakPolarHBondContact OD1-CB 3.38Å; D3284-S3286 PolarHBondContact OD1-N 3.17Å; D3284-S3286 PolarHBondContact OD1-OG 2.97Å; D3284-S3286 PolarHBondContact OD2-OG 3.14Å; S3286-H3288 PolarHBondContact O-N 3.34Å; S3286-H3288 VanDerWaalsContact O-N 3.12Å
3287	S	38.2	Very low	38	Very low	97 Å²	97	135.9 Å²	135.9	68%	0.678	77%	0.768	S	S	*	*			trans	-121.1	104.6	170.6	61.8	0	0	0	0	112.4	F3285 P3289	F3285-S3287 VanDerWaalsContact C-N 3.31Å; F3285-S3287 PolarHBondContact O-N 3.2Å; S3287-P3289 VanDerWaalsContact O-CD 3.3Å; S3287-P3289 WeakPolarHBondContact O-CD 3.1Å
3288	H	33.2	Very low	37.2	Very low	174.4 Å²	174.4	139.8 Å²	139.8	81%	0.807	77%	0.773	S	S	*	*			trans	-76.8	124.4	168.7	-80.6	38.5	0	0	0	110.1	S3286 H3290	S3286-H3288 PolarHBondContact O-N 3.34Å; S3286-H3288 VanDerWaalsContact O-N 3.12Å; H3288-H3290 PolarHBondContact O-N 3.18Å
3289	P	36.2	Very low	36.5	Very low	120.2 Å²	120.2	143.8 Å²	143.8	78%	0.781	78%	0.781	S	S	*	*			trans	-85.6	112.8	168.6	12.4	-3.6	0	0	0	110.7	S3287	S3287-P3289 VanDerWaalsContact O-CD 3.3Å; S3287-P3289 WeakPolarHBondContact O-CD 3.1Å
3290	H	35.7	Very low	35.8	Very low	170.4 Å²	170.4	142.6 Å²	142.6	79%	0.789	77%	0.773	S	S	*	*			trans	-58.9	140	163.5	-79	-66.5	0	0	0	113.2	H3288 I3292	H3288-H3290 PolarHBondContact O-N 3.18Å; H3290-I3292 PolarHBondContact O-N 2.95Å
3291	P	35.4	Very low	35.1	Very low	118.8 Å²	118.8	147.4 Å²	147.4	77%	0.771	78%	0.778	S	S	*	*			trans	-71.7	126.8	-175.9	28	-33.8	0	0	0	111.6	Q3293	P3291-Q3293 VanDerWaalsContact C-N 3.3Å; P3291-Q3293 PolarHBondContact O-N 3.4Å
3292	I	32.5	Very low	34.4	Very low	159.6 Å²	159.6	152.2 Å²	152.2	82%	0.818	78%	0.78	S	S	*	*			trans	-87.8	111.9	171	-64.4	176.8	0	0	0	108.5	H3290 M3294	H3290-I3292 PolarHBondContact O-N 2.95Å; I3292-M3294 PolarHBondContact O-N 3.45Å
3293	Q	30.9	Very low	33.5	Very low	175 Å²	175	149.6 Å²	149.6	82%	0.818	78%	0.775	S	S	*	*			trans	-55	142.5	169.2	-65.7	175.9	-12.9	0	0	111.1	P3291 A3295	P3291-Q3293 VanDerWaalsContact C-N 3.3Å; P3291-Q3293 PolarHBondContact O-N 3.4Å; Q3293-A3295 PolarHBondContact O-N 2.91Å
3294	M	29.6	Very low	32.9	Very low	178.8 Å²	178.8	151.1 Å²	151.1	88%	0.881	79%	0.787	S	S	*	*			trans	-91.3	102.2	156.2	-69.7	173.8	87.7	0	0	110.7	I3292 L3296	I3292-M3294 PolarHBondContact O-N 3.45Å; M3294-L3296 VanDerWaalsContact C-N 3.34Å; M3294-L3296 PolarHBondContact O-N 3.2Å
3295	A	32.4	Very low	32.4	Very low	88 Å²	88	150.3 Å²	150.3	73%	0.727	79%	0.792	S	S	*	*			trans	-41	112.2	145.4	0	0	0	0	0	111.9	Q3293 N3297	Q3293-A3295 PolarHBondContact O-N 2.91Å; A3295-N3297 PolarHBondContact O-N 3.17Å
3296	L	32.7	Very low	32.2	Very low	164.4 Å²	164.4	147.9 Å²	147.9	86%	0.861	79%	0.794	S	S	*	*			trans	-51.3	126.7	169.9	-72.4	166.3	0	0	0	110.6	M3294 R3298	M3294-L3296 VanDerWaalsContact C-N 3.34Å; M3294-L3296 PolarHBondContact O-N 3.2Å; L3296-R3298 VanDerWaalsContact C-N 3.27Å; L3296-R3298 PolarHBondContact O-N 3.27Å
3297	N	32.8	Very low	31.8	Very low	155.8 Å²	155.8	149.3 Å²	149.3	83%	0.833	81%	0.805	S	S	*	*			trans	-70.5	115.5	160.5	-81.5	-49.7	0	0	0	113.4	A3295 M3299	A3295-N3297 PolarHBondContact O-N 3.17Å; N3297-M3299 PolarHBondContact O-N 2.95Å; N3297-M3299 VanDerWaalsContact O-N 3.08Å
3298	R	27.6	Very low	31.3	Very low	234.8 Å²	234.8	147.8 Å²	147.8	89%	0.886	80%	0.804	S	S	*	*			trans	-70.8	113.9	154.1	-87	176.7	168.5	-175.1	-3.1	110.7	L3296	L3296-R3298 VanDerWaalsContact C-N 3.27Å; L3296-R3298 PolarHBondContact O-N 3.27Å
3299	M	30.2	Very low	31.1	Very low	154.8 Å²	154.8	144.8 Å²	144.8	76%	0.763	80%	0.803	S	S	*	*			trans	-109.3	125.1	138.2	-164.6	76.6	77.2	0	0	108.2	N3297 W3301	N3297-M3299 PolarHBondContact O-N 2.95Å; N3297-M3299 VanDerWaalsContact O-N 3.08Å; M3299-W3301 VanDerWaalsContact CG-NE1 3.33Å; M3299-W3301 PolarHBondContact O-N 3.44Å
3300	P	32.6	Very low	30.8	Very low	102.4 Å²	102.4	149.9 Å²	149.9	67%	0.665	81%	0.806	S	S	*	*			trans	-91.9	136.7	172.4	32	-30.9	0	0	0	112.4
3301	W	26.8	Very low	30.7	Very low	232.6 Å²	232.6	148.6 Å²	148.6	88%	0.881	81%	0.805	S	S	*	*			trans	-96.2	126.6	169.1	-74.5	78.5	0	0	0	110.9	M3299	M3299-W3301 VanDerWaalsContact CG-NE1 3.33Å; M3299-W3301 PolarHBondContact O-N 3.44Å
3302	Y	32.1	Very low	30.5	Very low	213.2 Å²	213.2	149.9 Å²	149.9	84%	0.836	81%	0.806	S	S	*	*			trans	-85.5	129.5	162.6	-86.9	-91.1	0	0	0	112.7	S3304	Y3302-S3304 PolarHBondContact O-N 2.95Å
3303	S	24.5	Very low	30.5	Very low	106.4 Å²	106.4	151.4 Å²	151.4	74%	0.744	81%	0.807	S	S	*	*			trans	-66.7	132.5	167.6	46.5	0	0	0	0	112.6
3304	S	31.2	Very low	30.4	Very low	122.4 Å²	122.4	149.1 Å²	149.1	86%	0.856	80%	0.804	S	S	*	*			trans	-153.6	127.6	153.2	-79.1	0	0	0	0	110.3	Y3302	Y3302-S3304 PolarHBondContact O-N 2.95Å
3305	S	27.6	Very low	30.5	Very low	115 Å²	115	147.9 Å²	147.9	80%	0.804	80%	0.8	S	S	*	*			trans	-88	168.3	179.9	-54.9	0	0	0	0	113.7
3306	P	35.7	Very low	30.5	Very low	127.6 Å²	127.6	148.7 Å²	148.7	83%	0.829	80%	0.8	S	S	*	*			trans	-97	162.1	-146.8	35.9	-33.6	0	0	0	114.3
3307	S	29.4	Very low	30.3	Very low	124.6 Å²	124.6	146.8 Å²	146.8	87%	0.871	80%	0.795	S	S	*	*			trans	-153.3	123.2	158.5	-176	0	0	0	0	111.3
3308	G	28.1	Very low	30.2	Very low	64.6 Å²	64.6	150.7 Å²	150.7	67%	0.666	80%	0.798	S	S	*	*			trans	122.8	138.1	143.8	0	0	0	0	0	114.6
3309	S	29	Very low	30.5	Very low	111 Å²	111	144.7 Å²	144.7	78%	0.776	79%	0.789	S	S	*	*			trans	46.8	142.4	163.1	48.4	0	0	0	0	115.5	D3311	S3309-D3311 PolarHBondContact O-N 3Å
3310	R	29.2	Very low	30.4	Very low	227.2 Å²	227.2	146.6 Å²	146.6	86%	0.857	79%	0.794	S	S	*	*				102.2	124.7	99.8	-89	-179	167.8	158.6	-2.8	112.8
3311	D	33.7	Very low	30.4	Very low	144.2 Å²	144.2	148 Å²	148	77%	0.771	80%	0.8	S	S	*	*			trans	84	132.4	135.1	-62.3	-32.9	0	0	0	115.6	S3309	S3309-D3311 PolarHBondContact O-N 3Å
3312	D	31.8	Very low	30.5	Very low	146.2 Å²	146.2	144.2 Å²	144.2	78%	0.782	80%	0.796	S	S	*	*			trans	-123	128.9	161	-89.9	-36.7	0	0	0	113.3
3313	K	31.6	Very low	30.5	Very low	190.8 Å²	190.8	139.5 Å²	139.5	83%	0.83	79%	0.792	S	S	*	*				108.9	106.7	128.2	-138.2	177.7	-175.7	175.4	0	115.4
3314	V	30.4	Very low	30.6	Very low	125.6 Å²	125.6	139.2 Å²	139.2	76%	0.761	79%	0.79	S	S	*	*			trans	48.9	137.5	140.2	-171.6	0	0	0	0	114.3
3315	I	30.6	Very low	30.5	Very low	155 Å²	155	139.7 Å²	139.7	80%	0.795	79%	0.788	S	S	*	*			trans	91.1	123.5	155.2	-59.5	167.6	0	0	0	113.7	T3317	I3315-T3317 HydrophobicContact CG2-CG2 3.96Å
3316	S	32.2	Very low	30.6	Very low	103.8 Å²	103.8	140.5 Å²	140.5	73%	0.726	79%	0.788	S	S	*	*			trans	-156.8	127.2	130.5	-173.1	0	0	0	0	111.2
3317	T	29.6	Very low	30.1	Very low	124.6 Å²	124.6	141.8 Å²	141.8	76%	0.764	79%	0.786	S	S	*	*			trans	-65.2	124.9	156.8	38.1	0	0	0	0	115.5	I3315	I3315-T3317 HydrophobicContact CG2-CG2 3.96Å
3318	R	30.1	Very low	29.9	Very low	238.2 Å²	238.2	141 Å²	141	90%	0.899	78%	0.78	S	S	*	*			trans	-148.9	136.7	135.3	-104	179.5	-174.3	-157.1	1.8	109
3319	P	34.6	Very low	29.8	Very low	107.6 Å²	107.6	142.4 Å²	142.4	70%	0.699	78%	0.78	S	S	*	*			trans	-98.8	169.4	-168.6	36	-29.3	0	0	0	111.6	V3321	P3319-V3321 PolarHBondContact O-N 3.4Å; P3319-V3321 VanDerWaalsContact O-N 3.17Å
3320	F	28.5	Very low	29.7	Very low	196.6 Å²	196.6	144.3 Å²	144.3	86%	0.862	78%	0.78	S	S	*	*			trans	-147.1	145.3	154.9	-94.7	-88.6	0	0	0	112.8	L3322	F3320-L3322 HydrophobicContact CD1-CD1 4.49Å; F3320-L3322 PolarHBondContact O-N 3.4Å
3321	V	32.2	Very low	29.6	Very low	130.6 Å²	130.6	140.3 Å²	140.3	79%	0.792	77%	0.774	S	S	*	*			trans	-154.3	127.4	160.8	-176.4	0	0	0	0	112.1	P3319	P3319-V3321 PolarHBondContact O-N 3.4Å; P3319-V3321 VanDerWaalsContact O-N 3.17Å
3322	L	28.7	Very low	29.3	Very low	152 Å²	152	139.1 Å²	139.1	80%	0.796	77%	0.772	S	S	*	*			trans	-118	148.3	169.5	-73.9	167.7	0	0	0	108.9	F3320 S3324	F3320-L3322 HydrophobicContact CD1-CD1 4.49Å; F3320-L3322 PolarHBondContact O-N 3.4Å; L3322-S3324 VanDerWaalsContact C-N 3.33Å; L3322-S3324 PolarHBondContact O-N 3.41Å; L3322-S3324 PolarHBondContact O-OG 3Å
3323	P	32.2	Very low	29.1	Very low	115 Å²	115	139.4 Å²	139.4	75%	0.747	77%	0.774	S	S	*	*			trans	-108.2	143.6	-169.6	32.7	-22.7	0	0	0	110.3	T3325	P3323-T3325 PolarHBondContact O-N 3.5Å
3324	S	25.4	Very low	28.9	Very low	101 Å²	101	138.6 Å²	138.6	71%	0.706	77%	0.77	S	S	*	*				86.4	103.9	125	-60	0	0	0	0	113.8	L3322 V3326	L3322-S3324 VanDerWaalsContact C-N 3.33Å; L3322-S3324 PolarHBondContact O-N 3.41Å; L3322-S3324 PolarHBondContact O-OG 3Å; S3324-V3326 PolarHBondContact O-N 3.13Å; S3324-V3326 VanDerWaalsContact O-N 3.1Å
3325	T	29.2	Very low	29	Very low	131.6 Å²	131.6	139.3 Å²	139.3	81%	0.807	77%	0.77	S	S	*	*			trans	-2.1	121.7	159.3	51.7	0	0	0	0	112	P3323 I3327	P3323-T3325 PolarHBondContact O-N 3.5Å; T3325-I3327 PolarHBondContact O-N 3.11Å
3326	V	30.2	Very low	29	Very low	132.6 Å²	132.6	140 Å²	140	80%	0.804	77%	0.77	S	S	*	*				-69.6	109.7	75.4	-168.9	0	0	0	0	111.5	S3324 S3328	S3324-V3326 PolarHBondContact O-N 3.13Å; S3324-V3326 VanDerWaalsContact O-N 3.1Å; V3326-S3328 PolarHBondContact O-N 3.38Å
3327	I	26	Very low	29	Very low	155.8 Å²	155.8	143.5 Å²	143.5	80%	0.799	77%	0.774	S	S	*	*			trans	-110.8	112.5	163.5	-63.1	175.3	0	0	0	107.4	T3325	T3325-I3327 PolarHBondContact O-N 3.11Å
3328	S	25.3	Very low	29.2	Very low	107.2 Å²	107.2	145.5 Å²	145.5	75%	0.75	78%	0.775	S	S	*	*			trans	-165.4	126	148.9	-67.9	0	0	0	0	109.5	V3326	V3326-S3328 PolarHBondContact O-N 3.38Å
3329	S	25.5	Very low	29.5	Very low	93.8 Å²	93.8	141.5 Å²	141.5	66%	0.656	77%	0.771	S	S	*	*				166.3	130.6	117	68.4	0	0	0	0	113.1
3330	I	26.2	Very low	29.5	Very low	151 Å²	151	144.4 Å²	144.4	77%	0.774	78%	0.778	S	S	*	*			trans	-174.1	112.7	132.6	-82.6	160.5	0	0	0	108.8
3331	I	28.1	Very low	29.8	Very low	142.2 Å²	142.2	141.6 Å²	141.6	73%	0.729	77%	0.773	S	S	*	*				63.9	116	115.5	-58.1	171.7	0	0	0	113.3
3332	T	27.9	Very low	30	Very low	120.6 Å²	120.6	146.4 Å²	146.4	74%	0.74	78%	0.776	S	S	*	*				44.3	127.4	125.8	-11.8	0	0	0	0	114.8
3333	N	27.1	Very low	30.4	Very low	152.4 Å²	152.4	147.2 Å²	147.2	82%	0.815	78%	0.778	S	S	*	*			trans	-139.8	121.3	143.5	-132.3	-10.9	0	0	0	111.2
3334	K	27.7	Very low	30.8	Very low	172.8 Å²	172.8	147.7 Å²	147.7	75%	0.751	78%	0.775	S	S	*	*			trans	-91.9	143.9	147.3	-97.6	-177.8	175.8	-178.2	0	109.7	Q3336	K3334-Q3336 PolarHBondContact O-N 3.04Å
3335	N	31	Very low	31.5	Very low	141 Å²	141	149.9 Å²	149.9	75%	0.754	78%	0.778	S	S	*	*			trans	80.5	108.8	159.3	-59.1	-8.9	0	0	0	115.5
3336	Q	32	Very low	31.9	Very low	169.8 Å²	169.8	148.3 Å²	148.3	79%	0.793	77%	0.772	S	S	*	*			trans	172.1	108.4	139.5	-68.1	178.1	-11.9	0	0	110.6	K3334 Q3338	K3334-Q3336 PolarHBondContact O-N 3.04Å; Q3336-Q3338 PolarHBondContact O-N 2.96Å
3337	H	32.5	Very low	32.3	Very low	176.6 Å²	176.6	146.2 Å²	146.2	82%	0.818	76%	0.763	S	S	*	*				-100.2	133.5	80.4	-76.8	-96	0	0	0	111.4	L3339	H3337-L3339 PolarHBondContact O-N 2.94Å; H3337-L3339 VanDerWaalsContact O-N 3.15Å
3338	Q	31.9	Very low	33.1	Very low	167.4 Å²	167.4	145.8 Å²	145.8	78%	0.782	76%	0.762	S	S	*	*			trans	-72.7	132.8	164.1	-83.7	172.5	0.9	0	0	110.6	Q3336 I3340	Q3336-Q3338 PolarHBondContact O-N 2.96Å; Q3338-I3340 PolarHBondContact O-N 3.05Å
3339	L	37	Very low	33.6	Very low	154.2 Å²	154.2	150.1 Å²	150.1	81%	0.807	76%	0.763	S	S	*	*			trans	-10.2	120.6	151.1	-72.2	160.5	0	0	0	112.2	H3337 D3341	H3337-L3339 PolarHBondContact O-N 2.94Å; H3337-L3339 VanDerWaalsContact O-N 3.15Å; L3339-D3341 PolarHBondContact O-N 3.4Å; L3339-D3341 VanDerWaalsContact O-N 3.11Å
3340	I	34.8	Very low	34.4	Very low	168 Å²	168	152.9 Å²	152.9	86%	0.862	77%	0.771	S	S	*	*			trans	-101.1	124.1	151.8	-70.3	168.7	0	0	0	106.6	Q3338 R3342	Q3338-I3340 PolarHBondContact O-N 3.05Å; I3340-R3342 PolarHBondContact O-N 3.24Å; I3340-R3342 VanDerWaalsContact O-N 3.13Å
3341	D	35.9	Very low	35	Very low	139 Å²	139	152.7 Å²	152.7	74%	0.743	77%	0.772	S	S	*	*			trans	-72.4	142.2	178.6	-82.3	-56.8	0	0	0	111.9	L3339 M3343	L3339-D3341 PolarHBondContact O-N 3.4Å; L3339-D3341 VanDerWaalsContact O-N 3.11Å; D3341-M3343 PolarHBondContact O-N 3.1Å; D3341-M3343 VanDerWaalsContact O-N 3.16Å
3342	R	34.6	Very low	35.3	Very low	230 Å²	230	153 Å²	153	87%	0.868	77%	0.774	S	S	*	*			trans	-60.8	119	160.9	-71.2	172.9	-178.8	-167.3	-2.3	110.4	I3340 D3344	I3340-R3342 PolarHBondContact O-N 3.24Å; I3340-R3342 VanDerWaalsContact O-N 3.13Å; R3342-D3344 PolarHBondContact O-N 3.02Å; R3342-D3344 VanDerWaalsContact O-N 3.08Å
3343	M	38.9	Very low	35.6	Very low	168.8 Å²	168.8	157.1 Å²	157.1	83%	0.832	78%	0.777	S	S	*	*			trans	-82.3	112.6	155.9	-119.1	-178.9	-66.9	0	0	109.1	D3341 L3345	D3341-M3343 PolarHBondContact O-N 3.1Å; D3341-M3343 VanDerWaalsContact O-N 3.16Å; M3343-L3345 HydrophobicContact CB-CD2 4.42Å; M3343-L3345 HydrophobicContact CB-CG 4.47Å; M3343-L3345 HydrophobicContact CG-CD2 4.2Å; M3343-L3345 PolarHBondContact O-N 3.12Å; M3343-L3345 HydrophobicContact SD-CD2 4.44Å
3344	D	40.3	Very low	35.9	Very low	126.8 Å²	126.8	155.2 Å²	155.2	68%	0.678	77%	0.773	S	S	*	*			trans	-78.5	110.7	176.6	-167.8	-5.1	0	0	0	108.9	R3342 S3346	R3342-D3344 PolarHBondContact O-N 3.02Å; R3342-D3344 VanDerWaalsContact O-N 3.08Å; D3344-S3346 VanDerWaalsContact C-N 3.31Å; D3344-S3346 PolarHBondContact O-N 3.14Å; D3344-S3346 VanDerWaalsContact O-N 3.09Å; D3344-S3346 WeakPolarHBondContact OD1-CB 3.13Å; D3344-S3346 PolarHBondContact OD1-N 3.08Å; D3344-S3346 VanDerWaalsContact OD1-N 3.15Å; D3344-S3346 PolarHBondContact OD1-OG 3.17Å; D3344-S3346 PolarHBondContact OD2-OG 3.28Å
3345	L	39.8	Very low	36	Very low	146.8 Å²	146.8	154 Å²	154	77%	0.769	78%	0.775	S	S	*	*			trans	-104.9	27.1	-179.1	-68.1	176.1	0	0	0	112	M3343 S3347	M3343-L3345 HydrophobicContact CB-CD2 4.42Å; M3343-L3345 HydrophobicContact CB-CG 4.47Å; M3343-L3345 HydrophobicContact CG-CD2 4.2Å; M3343-L3345 PolarHBondContact O-N 3.12Å; M3343-L3345 HydrophobicContact SD-CD2 4.44Å; L3345-S3347 VanDerWaalsContact C-N 3.31Å; L3345-S3347 PolarHBondContact O-N 3.23Å
3346	S	36.6	Very low	35.9	Very low	97.8 Å²	97.8	151.9 Å²	151.9	68%	0.684	77%	0.771	S	S	*	*			trans	-89.6	52.5	172	67.5	0	0	0	0	112.4	D3344	D3344-S3346 VanDerWaalsContact C-N 3.31Å; D3344-S3346 PolarHBondContact O-N 3.14Å; D3344-S3346 VanDerWaalsContact O-N 3.09Å; D3344-S3346 WeakPolarHBondContact OD1-CB 3.13Å; D3344-S3346 PolarHBondContact OD1-N 3.08Å; D3344-S3346 VanDerWaalsContact OD1-N 3.15Å; D3344-S3346 PolarHBondContact OD1-OG 3.17Å; D3344-S3346 PolarHBondContact OD2-OG 3.28Å
3347	S	39.5	Very low	35.8	Very low	88.8 Å²	88.8	153.7 Å²	153.7	62%	0.621	78%	0.777	S	S	*	*			trans	-136.5	29.1	178.6	62.9	0	0	0	0	114.9	L3345	L3345-S3347 VanDerWaalsContact C-N 3.31Å; L3345-S3347 PolarHBondContact O-N 3.23Å
3348	D	42.8	Very low	35.6	Very low	145.8 Å²	145.8	154.2 Å²	154.2	78%	0.78	78%	0.78	S	S	*	*	S	Bend	trans	-128.6	12.8	172.6	-87.1	-17.7	0	0	0	112	D3350	D3348-D3350 VanDerWaalsContact C-N 3.25Å; D3348-D3350 PolarHBondContact O-N 3.24Å
3349	Y	34.7	Very low	35.5	Very low	197.8 Å²	197.8	151.4 Å²	151.4	78%	0.776	78%	0.778	S	S	*	*	S	Bend	trans	-104.6	55.2	165.8	-89.2	-90.3	0	0	0	113.8	I2906 N3351 L3352	I2906-Y3349 HydrophobicContact CD1-CE2 4.05Å; I2906-Y3349 WeakPolarHBondContact CD1-OH 3.48Å; Y3349-N3351 PolarHBondContact O-N 3.13Å; Y3349-L3352 HydrophobicContact CD1-CD1 4.5Å; Y3349-L3352 HydrophobicContact CE1-CD1 4.09Å
3350	D	42.7	Very low	35.3	Very low	152.8 Å²	152.8	149.2 Å²	149.2	82%	0.817	77%	0.774	S	S	*	*	S	Bend	trans	-126.9	39.6	171.7	-103.3	-9.9	0	0	0	114.6	D3348 L3352	D3348-D3350 VanDerWaalsContact C-N 3.25Å; D3348-D3350 PolarHBondContact O-N 3.24Å; D3350-L3352 PolarHBondContact O-N 2.83Å
3351	N	39.1	Very low	35	Very low	147.6 Å²	147.6	148 Å²	148	79%	0.789	77%	0.769	S	S	*	*			trans	-131.8	35.4	172	-91.1	-59.2	0	0	0	114.2	Y3349 Y3353 P3354	Y3349-N3351 PolarHBondContact O-N 3.13Å; N3351-Y3353 PolarHBondContact O-N 2.89Å; N3351-P3354 VanDerWaalsContact OD1-CD 3.24Å; N3351-P3354 WeakPolarHBondContact OD1-CD 3.09Å; N3351-P3354 WeakPolarHBondContact OD1-CG 3.36Å
3352	L	35.1	Very low	34.8	Very low	147.6 Å²	147.6	148 Å²	148	77%	0.773	77%	0.769	S	S	*	*	S	Bend	trans	-98.1	75.5	165.9	-73.1	177.1	0	0	0	111.7	Y3349 D3350	Y3349-L3352 HydrophobicContact CD1-CD1 4.5Å; Y3349-L3352 HydrophobicContact CE1-CD1 4.09Å; D3350-L3352 PolarHBondContact O-N 2.83Å
3353	Y	32.5	Very low	34.7	Very low	207.8 Å²	207.8	145.6 Å²	145.6	82%	0.815	76%	0.764	S	S	*	*			trans	168.7	108.2	158.5	-85.9	-81.6	0	0	0	115.2	N3351 N3355	N3351-Y3353 PolarHBondContact O-N 2.89Å; Y3353-N3355 HydrophobicContact CD1-CB 4.08Å; Y3353-N3355 WeakPolarHBondContact CD1-O 3.39Å; Y3353-N3355 PolarHBondContact O-N 3.11Å; Y3353-N3355 VanDerWaalsContact O-N 3.16Å
3354	P	33.4	Very low	34.3	Very low	112.6 Å²	112.6	147.8 Å²	147.8	73%	0.731	77%	0.765	S	S	*	*			trans	-83.2	102.1	169.5	33.1	-32.6	0	0	0	111.4	N3351 S3356	N3351-P3354 VanDerWaalsContact OD1-CD 3.24Å; N3351-P3354 WeakPolarHBondContact OD1-CD 3.09Å; N3351-P3354 WeakPolarHBondContact OD1-CG 3.36Å; P3354-S3356 PolarHBondContact O-N 3.06Å
3355	N	29.9	Very low	33.7	Very low	148 Å²	148	150.7 Å²	150.7	79%	0.791	77%	0.768	S	S	*	*			trans	-84.3	129.6	169.7	-86.5	-47.5	0	0	0	113.5	Y3353	Y3353-N3355 HydrophobicContact CD1-CB 4.08Å; Y3353-N3355 WeakPolarHBondContact CD1-O 3.39Å; Y3353-N3355 PolarHBondContact O-N 3.11Å; Y3353-N3355 VanDerWaalsContact O-N 3.16Å
3356	S	30.1	Very low	33.4	Very low	95.2 Å²	95.2	149 Å²	149	67%	0.666	77%	0.766	S	S	*	*			trans	-162.1	100.4	171.4	-79.8	0	0	0	0	112.7	P3354 Q3358	P3354-S3356 PolarHBondContact O-N 3.06Å; S3356-Q3358 PolarHBondContact O-N 3.16Å
3357	F	29.6	Very low	33.4	Very low	208.8 Å²	208.8	151.1 Å²	151.1	92%	0.916	77%	0.77	S	S	*	*			trans	-134.4	122.6	147.6	-75	-72.4	0	0	0	112.8	S3359	F3357-S3359 PolarHBondContact O-N 3.21Å
3358	Q	29.2	Very low	32.9	Very low	186.8 Å²	186.8	152.7 Å²	152.7	87%	0.873	78%	0.779	S	S	*	*			trans	-95.8	131	174.4	-145.8	151.4	16.2	0	0	112	S3356	S3356-Q3358 PolarHBondContact O-N 3.16Å
3359	S	29.4	Very low	32.4	Very low	107.8 Å²	107.8	152.7 Å²	152.7	75%	0.754	78%	0.779	S	S	*	*			trans	-97.6	143.6	173	-127.3	0	0	0	0	112.7	F3357 N3361	F3357-S3359 PolarHBondContact O-N 3.21Å; S3359-N3361 PolarHBondContact O-N 3.14Å
3360	P	32.3	Very low	32.3	Very low	109 Å²	109	150.6 Å²	150.6	71%	0.708	78%	0.781	S	S	*	*			trans	-92.4	153.3	-173.5	33	-29.1	0	0	0	112.1
3361	N	29.1	Very low	31.6	Very low	142.8 Å²	142.8	152.4 Å²	152.4	76%	0.764	78%	0.784	S	S	*	*			trans	159.5	111.3	164	-86.6	-41.7	0	0	0	114.9	S3359	S3359-N3361 PolarHBondContact O-N 3.14Å
3362	N	31.1	Very low	31.1	Very low	139 Å²	139	149.9 Å²	149.9	74%	0.743	78%	0.784	S	S	*	*				159.8	126.7	122.3	-98.1	-26.5	0	0	0	114.5
3363	K	31.8	Very low	31.1	Very low	178.2 Å²	178.2	148.4 Å²	148.4	78%	0.775	79%	0.786	S	S	*	*				28.7	117	124	-70.4	177.6	178.9	176.5	0	113.5
3364	Y	31	Very low	30.9	Very low	215 Å²	215	145.6 Å²	145.6	84%	0.843	79%	0.785	S	S	*	*			trans	-154.9	134	141.1	-119.5	-109.2	0	0	0	111.9
3365	Y	28.6	Very low	30.7	Very low	188 Å²	188	150.9 Å²	150.9	74%	0.737	79%	0.79	S	S	*	*			trans	-46.5	139.5	171.3	-90.7	-101	0	0	0	114.4	D3367	Y3365-D3367 WeakPolarHBondContact CE1-OD2 3.35Å
3366	P	33.6	Very low	30.8	Very low	112 Å²	112	150.8 Å²	150.8	73%	0.727	79%	0.789	S	S	*	*				-117.7	145.5	120.6	36.3	-26.5	0	0	0	111.8	C3368	P3366-C3368 PolarHBondContact O-N 3.1Å
3367	D	34.8	Very low	30.8	Very low	142.6 Å²	142.6	152.2 Å²	152.2	76%	0.763	79%	0.788	S	S	*	*			trans	-144.9	133.4	148.7	-89.1	-43	0	0	0	111.3	Y3365 N3369	Y3365-D3367 WeakPolarHBondContact CE1-OD2 3.35Å; D3367-N3369 PolarHBondContact O-N 2.88Å; D3367-N3369 VanDerWaalsContact O-N 3.12Å
3368	C	30	Very low	30.9	Very low	121.4 Å²	121.4	148.1 Å²	148.1	82%	0.82	78%	0.776	S	S	*	*			trans	-106.6	95.3	170.1	-70.5	0	0	0	0	112.4	P3366 L3370	P3366-C3368 PolarHBondContact O-N 3.1Å; C3368-L3370 PolarHBondContact O-N 3.03Å
3369	N	31.3	Very low	31	Very low	146 Å²	146	146 Å²	146	78%	0.781	77%	0.771	S	S	*	*			trans	-82.7	140.9	168.7	-124.4	-33.3	0	0	0	111	D3367 Q3371	D3367-N3369 PolarHBondContact O-N 2.88Å; D3367-N3369 VanDerWaalsContact O-N 3.12Å; N3369-Q3371 PolarHBondContact O-N 3.43Å
3370	L	33	Very low	31.1	Very low	154.2 Å²	154.2	147.6 Å²	147.6	81%	0.807	77%	0.771	S	S	*	*			trans	81	103	173.9	-63	171.7	0	0	0	115.1	C3368 A3372	C3368-L3370 PolarHBondContact O-N 3.03Å; L3370-A3372 PolarHBondContact O-N 2.89Å
3371	Q	28.8	Very low	31.1	Very low	189 Å²	189	150.9 Å²	150.9	88%	0.883	77%	0.774	S	S	*	*			trans	-62.6	102.9	146.3	-69.8	-179.3	1.9	0	0	112.7	N3369 S3373	N3369-Q3371 PolarHBondContact O-N 3.43Å; Q3371-S3373 PolarHBondContact O-N 3.44Å
3372	A	29.4	Very low	31.2	Very low	97 Å²	97	152.7 Å²	152.7	80%	0.802	78%	0.778	S	S	*	*			trans	-102.4	143	141.4	0	0	0	0	0	112.3	L3370 N3374	L3370-A3372 PolarHBondContact O-N 2.89Å; A3372-N3374 PolarHBondContact O-N 3.39Å
3373	S	33.7	Very low	31.2	Very low	114.8 Å²	114.8	151.1 Å²	151.1	80%	0.803	78%	0.777	S	S	*	*			trans	-117	123.5	162.3	-153.9	0	0	0	0	112.1	Q3371 R3375	Q3371-S3373 PolarHBondContact O-N 3.44Å; S3373-R3375 PolarHBondContact O-N 3.22Å
3374	N	29.7	Very low	31.1	Very low	148.8 Å²	148.8	147.3 Å²	147.3	80%	0.796	77%	0.773	S	S	*	*			trans	-101.7	120.4	154.9	-90	-35.6	0	0	0	112.5	A3372 I3376	A3372-N3374 PolarHBondContact O-N 3.39Å; N3374-I3376 PolarHBondContact O-N 2.79Å
3375	R	27.8	Very low	31	Very low	224.4 Å²	224.4	142.5 Å²	142.5	85%	0.847	77%	0.766	S	S	*	*			trans	-131.1	121.9	149.3	-94.1	179.6	177.4	-173.7	0.7	115.1	S3373	S3373-R3375 PolarHBondContact O-N 3.22Å
3376	I	33.2	Very low	31.2	Very low	147 Å²	147	141.1 Å²	141.1	75%	0.754	77%	0.771	S	S	*	*			trans	112.4	107.6	139.9	-49.9	175.8	0	0	0	113.5	N3374	N3374-I3376 PolarHBondContact O-N 2.79Å
3377	N	29.3	Very low	30.9	Very low	122.8 Å²	122.8	143.4 Å²	143.4	66%	0.657	77%	0.772	S	S	*	*				91.2	119.7	116.8	-141.5	15.7	0	0	0	116.6
3378	N	31.4	Very low	30.6	Very low	124.2 Å²	124.2	147.6 Å²	147.6	66%	0.664	78%	0.777	S	S	*	*			trans	77.3	120.5	142.4	-79.8	-18.2	0	0	0	120.4
3379	N	31.5	Very low	30.6	Very low	141.2 Å²	141.2	147.5 Å²	147.5	76%	0.755	77%	0.773	S	S	*	*				56.1	121.7	128.1	-70.5	-37.2	0	0	0	117.5
3380	N	32.3	Very low	30.6	Very low	142.4 Å²	142.4	146.6 Å²	146.6	76%	0.761	77%	0.773	S	S	*	*			trans	139.1	129.1	134.1	-136.1	-5.4	0	0	0	116.1
3381	K	31	Very low	30.5	Very low	178.2 Å²	178.2	143.7 Å²	143.7	78%	0.775	77%	0.771	S	S	*	*			trans	-89.1	145.5	153.8	-73	168.6	-179.7	175.4	0	112
3382	H	32.4	Very low	30.8	Very low	181.2 Å²	181.2	142.3 Å²	142.3	84%	0.839	77%	0.769	S	S	*	*			trans	166.5	133.5	159.7	-68.7	-73.5	0	0	0	113.3
3383	S	29.7	Very low	30.7	Very low	104 Å²	104	146.2 Å²	146.2	73%	0.727	77%	0.771	S	S	*	*			trans	-177.5	142.5	145.6	-164	0	0	0	0	111.7
3384	S	31.2	Very low	30.5	Very low	98.4 Å²	98.4	148.7 Å²	148.7	69%	0.688	77%	0.774	S	S	*	*				100.4	115.5	113.8	58.1	0	0	0	0	114.7
3385	T	28.4	Very low	30.3	Very low	115.2 Å²	115.2	147.5 Å²	147.5	71%	0.707	77%	0.772	S	S	*	*				59.2	109.3	106.5	-38.3	0	0	0	0	116.9	Q3387	T3385-Q3387 HydrophobicContact CG2-CG 3.93Å
3386	L	31.7	Very low	30.2	Very low	158 Å²	158	141 Å²	141	83%	0.827	77%	0.766	S	S	*	*				-163	120.4	129.5	-94.9	164.2	0	0	0	111.5
3387	Q	28.4	Very low	30	Very low	160.6 Å²	160.6	140.4 Å²	140.4	75%	0.75	77%	0.769	S	S	*	*			trans	21.6	119.9	147.7	-67	177.6	-5.8	0	0	115.6	T3385	T3385-Q3387 HydrophobicContact CG2-CG 3.93Å
3388	R	28.3	Very low	29.8	Very low	231.8 Å²	231.8	139.5 Å²	139.5	88%	0.875	77%	0.772	S	S	*	*				151.2	99.6	97.6	-143.2	171.7	161	-168.7	-2.1	112.8
3389	T	30.3	Very low	29.7	Very low	118.4 Å²	118.4	138.4 Å²	138.4	73%	0.726	77%	0.774	S	S	*	*				-49.5	134.2	127.6	47.5	0	0	0	0	113.1
3390	T	30.9	Very low	29.5	Very low	127.8 Å²	127.8	139.2 Å²	139.2	78%	0.784	78%	0.779	S	S	*	*			trans	53.6	106.3	142.9	53.4	0	0	0	0	117.7
3391	A	30.6	Very low	29.5	Very low	93 Å²	93	138.5 Å²	138.5	77%	0.769	78%	0.78	S	S	*	*				115.3	115.4	105.1	0	0	0	0	0	112.5
3392	N	34.8	Very low	29.3	Very low	158.4 Å²	158.4	135.7 Å²	135.7	85%	0.847	78%	0.783	S	S	*	*			trans	-162.8	120.5	152.5	-88.4	3.2	0	0	0	111
3393	E	27.2	Very low	29.2	Very low	180.6 Å²	180.6	132.3 Å²	132.3	84%	0.844	78%	0.779	S	S	*	*			trans	-50.4	143.3	155.8	-66	174.7	120.7	0	0	113.9
3394	I	30.5	Very low	29.1	Very low	166.8 Å²	166.8	134.2 Å²	134.2	86%	0.855	79%	0.787	S	S	*	*			trans	-122.2	128.4	155.6	-59.4	178.2	0	0	0	110.4
3395	T	25.9	Very low	28.9	Very low	124 Å²	124	133.9 Å²	133.9	76%	0.761	79%	0.79	S	S	*	*			trans	-117.4	133.8	-173.1	-70.5	0	0	0	0	111.3
3396	A	25.9	Very low	29.1	Very low	87.2 Å²	87.2	133 Å²	133	72%	0.721	80%	0.795	S	S	*	*			trans	-64.1	139.5	168.7	0	0	0	0	0	114.5
3397	T	28.1	Very low	28.9	Very low	134.6 Å²	134.6	132.1 Å²	132.1	83%	0.826	80%	0.795	S	S	*	*			trans	-155.4	127.3	134.5	-42.1	0	0	0	0	110.3
3398	S	25.4	Very low	29.2	Very low	102.8 Å²	102.8	131 Å²	131	72%	0.719	80%	0.799	S	S	*	*			trans	-94.3	148	-179.6	53.6	0	0	0	0	113.3
3399	S	28.9	Very low	29.2	Very low	101 Å²	101	123.1 Å²	123.1	71%	0.706	79%	0.79	S	S	*	*			trans	92	111.8	136.7	64.7	0	0	0	0	115.7
3400	N	28.1	Very low	29.3	Very low	158.8 Å²	158.8	128.6 Å²	128.6	85%	0.849	80%	0.797	S	S	*	*			trans	-139.2	127.7	142.5	-79.8	-27.7	0	0	0	111
3401	T	32	Very low	29.5	Very low	126.75 Å²	126.75	128.2 Å²	128.2	78%	0.778	80%	0.797	S	S	*	*			trans	-151.5	116.5	156.3	48.3	0	0	0	0	112.6	S3403	T3401-S3403 PolarHBondContact O-N 3.02Å; T3401-S3403 VanDerWaalsContact O-N 3.16Å
3402	S	25.8	Very low	29.7	Very low	120 Å²	120	128.1 Å²	128.1	84%	0.839	80%	0.796	S	S	*	*			trans	-54.9	107.5	159.2	59.7	0	0	0	0	112.6
3403	S	31.9	Very low	29.6	Very low	109.25 Å²	109.25	128.5 Å²	128.5	76%	0.764	80%	0.797	S	S	*	*			trans	-140.1	102.9	164.2	45.3	0	0	0	0	111.4	T3401 A3405	T3401-S3403 PolarHBondContact O-N 3.02Å; T3401-S3403 VanDerWaalsContact O-N 3.16Å; S3403-A3405 PolarHBondContact O-N 3.03Å; S3403-A3405 VanDerWaalsContact O-N 3.12Å
3404	T	26.6	Very low	29.8	Very low	144.5 Å²	144.5	131.1 Å²	131.1	89%	0.887	80%	0.8	S	S	*	*			trans	-54.9	127.8	173.1	-45.5	0	0	0	0	113.4
3405	A	27.6	Very low	30	Very low	92.5 Å²	92.5	132.8 Å²	132.8	76%	0.764	80%	0.801	S	S	*	*			trans	169.5	140.2	158.4	0	0	0	0	0	115.2	S3403	S3403-A3405 PolarHBondContact O-N 3.03Å; S3403-A3405 VanDerWaalsContact O-N 3.12Å
3406	A	31.6	Very low	30.2	Very low	96.25 Å²	96.25	134.8 Å²	134.8	80%	0.795	81%	0.806	S	S	*	*			trans	59.3	105.9	163.4	0	0	0	0	0	116.3
3407	V	29.1	Very low	30.5	Very low	139 Å²	139	134.8 Å²	134.8	84%	0.842	81%	0.806	S	S	*	*			trans	-67.1	113.5	153.6	175.7	0	0	0	0	111.1	G3409	V3407-G3409 PolarHBondContact O-N 3.05Å; V3407-G3409 VanDerWaalsContact O-N 3.11Å
3408	V	32.9	Very low	30.6	Very low	137.25 Å²	137.25	137.9 Å²	137.9	83%	0.832	81%	0.808	S	S	*	*			trans	-109.3	105.8	154.9	179.3	0	0	0	0	107.8	R3410	V3408-R3410 PolarHBondContact O-N 3.31Å
3409	G	29.4	Very low	30.8	Very low	66.25 Å²	66.25	138.9 Å²	138.9	68%	0.683	81%	0.809	S	S	*	*			trans	-75	127	-177.8	0	0	0	0	0	112.2	V3407 P3411	V3407-G3409 PolarHBondContact O-N 3.05Å; V3407-G3409 VanDerWaalsContact O-N 3.11Å; G3409-P3411 WeakPolarHBondContact O-CD 3.47Å
3410	R	31.4	Very low	30.9	Very low	233.25 Å²	233.25	139.3 Å²	139.3	88%	0.88	81%	0.812	S	S	*	*			trans	-80.8	135.3	157.7	-71.7	-176.1	174.3	-170.3	-2.2	108.8	V3408 A3412	V3408-R3410 PolarHBondContact O-N 3.31Å; R3410-A3412 PolarHBondContact O-N 3.16Å; R3410-A3412 VanDerWaalsContact O-N 3.13Å
3411	P	36.6	Very low	31.1	Very low	119.75 Å²	119.75	143.1 Å²	143.1	78%	0.778	82%	0.815	S	S	*	*			trans	-71	112.6	171.6	12.8	-14.4	0	0	0	110.1	G3409 L3413	G3409-P3411 WeakPolarHBondContact O-CD 3.47Å; P3411-L3413 VanDerWaalsContact C-N 3.31Å; P3411-L3413 PolarHBondContact O-N 3Å; P3411-L3413 VanDerWaalsContact O-N 3.14Å
3412	A	33.4	Very low	31	Very low	90.25 Å²	90.25	141.8 Å²	141.8	75%	0.746	81%	0.811	S	S	*	*			trans	-74.4	109.2	173.8	0	0	0	0	0	110	R3410 R3414	R3410-A3412 PolarHBondContact O-N 3.16Å; R3410-A3412 VanDerWaalsContact O-N 3.13Å; A3412-R3414 PolarHBondContact O-N 2.97Å
3413	L	33.7	Very low	31.3	Very low	167.5 Å²	167.5	146.2 Å²	146.2	88%	0.877	81%	0.809	S	S	*	*			trans	-70.8	113.6	170.1	-71.3	173	0	0	0	109.9	P3411 K3415	P3411-L3413 VanDerWaalsContact C-N 3.31Å; P3411-L3413 PolarHBondContact O-N 3Å; P3411-L3413 VanDerWaalsContact O-N 3.14Å; L3413-K3415 PolarHBondContact O-N 3Å
3414	R	31.3	Very low	31.4	Very low	235.25 Å²	235.25	147 Å²	147	89%	0.888	81%	0.81	S	S	*	*			trans	-68.7	107.3	170.9	-64.5	-178.8	-162.8	173.9	5.8	108.3	A3412 L3416	A3412-R3414 PolarHBondContact O-N 2.97Å; R3414-L3416 PolarHBondContact O-N 3.27Å; R3414-L3416 VanDerWaalsContact O-N 3.15Å
3415	K	33.8	Very low	31.7	Very low	203 Å²	203	147.6 Å²	147.6	88%	0.883	81%	0.807	S	S	*	*			trans	-62.2	112.5	160.1	-76.1	-177.3	175.8	-179.8	0	108	L3413 A3417	L3413-K3415 PolarHBondContact O-N 3Å; K3415-A3417 PolarHBondContact O-N 3.1Å
3416	L	31.2	Very low	31.6	Very low	165 Å²	165	148.9 Å²	148.9	86%	0.864	81%	0.81	S	S	*	*			trans	-70.3	124	173.2	-72	169.9	0	0	0	108.6	R3414 K3418	R3414-L3416 PolarHBondContact O-N 3.27Å; R3414-L3416 VanDerWaalsContact O-N 3.15Å; L3416-K3418 PolarHBondContact O-N 3.05Å; L3416-K3418 VanDerWaalsContact O-N 3.15Å
3417	A	31.8	Very low	31.8	Very low	87.5 Å²	87.5	149.9 Å²	149.9	72%	0.723	81%	0.808	S	S	*	*			trans	-47.2	133.6	172.8	0	0	0	0	0	112.3	K3415 V3419	K3415-A3417 PolarHBondContact O-N 3.1Å; A3417-V3419 VanDerWaalsContact C-N 3.29Å; A3417-V3419 PolarHBondContact O-N 3.33Å; A3417-V3419 VanDerWaalsContact O-N 3.12Å
3418	K	30	Very low	31.8	Very low	200 Å²	200	151 Å²	151	87%	0.87	81%	0.808	S	S	*	*			trans	-85.7	110.5	157.9	-166.1	171.4	-177.5	176.2	0	108.9	L3416 S3420	L3416-K3418 PolarHBondContact O-N 3.05Å; L3416-K3418 VanDerWaalsContact O-N 3.15Å; K3418-S3420 PolarHBondContact O-N 3.09Å
3419	V	29.8	Very low	32	Very low	123.5 Å²	123.5	151.9 Å²	151.9	75%	0.748	81%	0.807	S	S	*	*			trans	-65.2	112.4	176.9	-179.5	0	0	0	0	109.8	A3417 R3421	A3417-V3419 VanDerWaalsContact C-N 3.29Å; A3417-V3419 PolarHBondContact O-N 3.33Å; A3417-V3419 VanDerWaalsContact O-N 3.12Å; V3419-R3421 VanDerWaalsContact C-N 3.34Å; V3419-R3421 PolarHBondContact O-N 3.01Å
3420	S	31.8	Very low	32.3	Very low	110 Å²	110	154.2 Å²	154.2	77%	0.769	81%	0.807	S	S	*	*			trans	-73.4	112.5	170	-54.1	0	0	0	0	111.2	K3418 S3422	K3418-S3420 PolarHBondContact O-N 3.09Å; S3420-S3422 VanDerWaalsContact C-N 3.3Å; S3420-S3422 PolarHBondContact O-N 3.38Å; S3420-S3422 VanDerWaalsContact O-N 3.15Å
3421	R	31.5	Very low	32.5	Very low	238 Å²	238	148.9 Å²	148.9	90%	0.898	80%	0.804	S	S	*	*			trans	-85.1	118.1	165.9	-87.2	-173.2	170.6	-170.5	-2.7	109.5	V3419 R3423	V3419-R3421 VanDerWaalsContact C-N 3.34Å; V3419-R3421 PolarHBondContact O-N 3.01Å; R3421-R3423 PolarHBondContact O-N 2.85Å
3422	S	30	Very low	32.4	Very low	99.5 Å²	99.5	146.6 Å²	146.6	70%	0.696	80%	0.802	S	S	*	*			trans	-70.8	150.9	178	54.6	0	0	0	0	112.1	D2897 S3420 T3424	D2897-S3422 VanDerWaalsContact OD1-CB 3.28Å; D2897-S3422 WeakPolarHBondContact OD1-CB 3.46Å; S3420-S3422 VanDerWaalsContact C-N 3.3Å; S3420-S3422 PolarHBondContact O-N 3.38Å; S3420-S3422 VanDerWaalsContact O-N 3.15Å; S3422-T3424 PolarHBondContact O-N 2.94Å
3423	R	31.8	Very low	32.6	Very low	211.75 Å²	211.75	151.4 Å²	151.4	80%	0.799	81%	0.809	S	S	*	*			trans	-29.7	133.4	173.9	-59.9	175.2	178.4	-173.3	-7	112.7	Y2896 D2897 R3421	Y2896-R3423 VanDerWaalsContact CD1-CZ 3.47Å; D2897-R3423 PolarHBondContact O-NH1 3.25Å; D2897-R3423 WeakPolarHBondContact OD2-CD 3.46Å; D2897-R3423 WeakPolarHBondContact OD2-CG 3.35Å; D2897-R3423 IonicContact OD2-CZ 3.86Å; D2897-R3423 IonicContact OD2-NE 3.14Å; D2897-R3423 PolarHBondContact OD2-NE 2.76Å; D2897-R3423 VanDerWaalsContact OD2-NE 3.1Å; D2897-R3423 IonicContact OD2-NH1 3Å; D2897-R3423 PolarHBondContact OD2-NH1 3.29Å; R3421-R3423 PolarHBondContact O-N 2.85Å
3424	T	35.3	Very low	32.9	Very low	126.75 Å²	126.75	151.9 Å²	151.9	78%	0.778	81%	0.806	S	S	*	*			trans	-120.4	137.1	134.8	9	0	0	0	0	112.5	S3422 C3426	S3422-T3424 PolarHBondContact O-N 2.94Å; T3424-C3426 PolarHBondContact O-N 3.16Å
3425	N	32.1	Very low	33.3	Very low	156.5 Å²	156.5	145.9 Å²	145.9	84%	0.837	80%	0.801	S	S	*	*			trans	-25	116.4	175	-63.6	-19.5	0	0	0	115.4
3426	C	26.1	Very low	33.8	Very low	120.75 Å²	120.75	143.6 Å²	143.6	82%	0.816	80%	0.798	S	S	*	*			trans	-104.5	138.3	145.4	-78.8	0	0	0	0	108.8	T3424	T3424-C3426 PolarHBondContact O-N 3.16Å
3427	P	35.9	Very low	34.2	Very low	116.25 Å²	116.25	141.7 Å²	141.7	76%	0.755	79%	0.793	S	S	*	*			trans	-77.9	145.1	-175.6	22.3	-20.4	0	0	0	112.2	I3429	P3427-I3429 PolarHBondContact O-N 3.33Å
3428	L	29	Very low	34.4	Very low	162.75 Å²	162.75	146.4 Å²	146.4	85%	0.852	80%	0.802	S	S	*	*			trans	-51	109.9	168.8	-173.2	71.2	0	0	0	111.6	T3430	L3428-T3430 PolarHBondContact O-N 2.9Å
3429	I	36.4	Very low	34.9	Very low	156.75 Å²	156.75	142.2 Å²	142.2	80%	0.804	80%	0.798	S	S	*	*			trans	-103.6	117.3	158	-68	168	0	0	0	106.5	P3427	P3427-I3429 PolarHBondContact O-N 3.33Å
3430	T	35.9	Very low	35.2	Very low	113.5 Å²	113.5	139.5 Å²	139.5	70%	0.696	80%	0.796	S	S	*	*			trans	-63.9	141.6	176.5	-31.3	0	0	0	0	110.3	L3428 G3432	L3428-T3430 PolarHBondContact O-N 2.9Å; T3430-G3432 PolarHBondContact O-N 3.24Å; T3430-G3432 VanDerWaalsContact O-N 3.14Å
3431	P	35.6	Very low	35.5	Very low	123.5 Å²	123.5	142.7 Å²	142.7	80%	0.802	79%	0.792	S	S	*	*			trans	-75	132.1	156.5	-10.9	25.3	0	0	0	111.6
3432	G	34.4	Very low	36	Very low	71 Å²	71	138.3 Å²	138.3	73%	0.732	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-86.1	130.8	167.5	0	0	0	0	0	110	T3430 E3434	T3430-G3432 PolarHBondContact O-N 3.24Å; T3430-G3432 VanDerWaalsContact O-N 3.14Å; G3432-E3434 PolarHBondContact O-N 3.04Å; G3432-E3434 VanDerWaalsContact O-N 3.14Å
3433	E	38.2	Very low	36.4	Very low	191.25 Å²	191.25	136.1 Å²	136.1	89%	0.894	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-52.6	126.4	171.8	-69.3	163.4	160.1	0	0	112.9
3434	E	38.6	Very low	37.1	Very low	176.75 Å²	176.75	132.4 Å²	132.4	83%	0.826	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-79.3	130.4	165.3	58.2	-140.4	140.8	0	0	112.1	G3432	G3432-E3434 PolarHBondContact O-N 3.04Å; G3432-E3434 VanDerWaalsContact O-N 3.14Å
3435	S	40.7	Very low	37.2	Very low	110.75 Å²	110.75	131.3 Å²	131.3	77%	0.774	78%	0.778	S	S	*	*			trans	128.1	107.5	152.8	-63.7	0	0	0	0	115.6	T3437	S3435-T3437 PolarHBondContact O-N 3.45Å
3436	D	44.1	Very low	37.5	Very low	153 Å²	153	128.3 Å²	128.3	82%	0.818	78%	0.775	S	S	*	*			trans	25.8	132.6	142.1	-86	-19.7	0	0	0	116.8	M3438	D3436-M3438 VanDerWaalsContact C-N 3.26Å; D3436-M3438 PolarHBondContact O-N 3.3Å
3437	T	39.8	Very low	38	Very low	125.25 Å²	125.25	127.5 Å²	127.5	77%	0.768	77%	0.771	S	S	*	*			trans	-9.5	105.9	161.2	54.7	0	0	0	0	115.9	S3435 S3439	S3435-T3437 PolarHBondContact O-N 3.45Å; T3437-S3439 VanDerWaalsContact C-N 3.28Å; T3437-S3439 PolarHBondContact O-N 3.31Å
3438	M	35.2	Very low	38.3	Very low	186 Å²	186	126.7 Å²	126.7	92%	0.916	77%	0.768	S	S	*	*			trans	-124.5	83.3	148.4	-167.9	132.1	57.2	0	0	110	D3436 G3440	D3436-M3438 VanDerWaalsContact C-N 3.26Å; D3436-M3438 PolarHBondContact O-N 3.3Å; M3438-G3440 PolarHBondContact O-N 3.19Å; M3438-G3440 VanDerWaalsContact O-N 3.17Å
3439	S	41.5	Very low	39.2	Very low	111.75 Å²	111.75	124.5 Å²	124.5	78%	0.781	76%	0.761	S	S	*	*			trans	-74.1	93.9	171.2	-60.4	0	0	0	0	110.4	T3437 Y3441	T3437-S3439 VanDerWaalsContact C-N 3.28Å; T3437-S3439 PolarHBondContact O-N 3.31Å; S3439-Y3441 VanDerWaalsContact C-N 3.28Å; S3439-Y3441 PolarHBondContact O-N 3.06Å
3440	G	36.3	Very low	39.6	Very low	68.5 Å²	68.5	126.6 Å²	126.6	71%	0.706	76%	0.76	S	S	*	*			trans	-82.1	97.3	166.6	0	0	0	0	0	110	M3438 I3442	M3438-G3440 PolarHBondContact O-N 3.19Å; M3438-G3440 VanDerWaalsContact O-N 3.17Å; G3440-I3442 VanDerWaalsContact C-N 3.25Å; G3440-I3442 PolarHBondContact O-N 2.99Å
3441	Y	37	Very low	40.4	Very low	176.25 Å²	176.25	127.5 Å²	127.5	69%	0.691	76%	0.761	S	S	*	*			trans	-93.7	102.3	-177.6	-152.3	-93.3	0	0	0	110.8	S3439	S3439-Y3441 VanDerWaalsContact C-N 3.28Å; S3439-Y3441 PolarHBondContact O-N 3.06Å
3442	I	42.5	Very low	41.1	Very low	146.5 Å²	146.5	127.5 Å²	127.5	75%	0.751	76%	0.759	S	S	*	*			trans	-113.7	123.4	161.1	-75.6	75.5	0	0	0	108.5	G3440 D3444	G3440-I3442 VanDerWaalsContact C-N 3.25Å; G3440-I3442 PolarHBondContact O-N 2.99Å; I3442-D3444 HydrophobicContact CG2-CB 4.01Å; I3442-D3444 WeakPolarHBondContact CG2-OD2 3.09Å
3443	G	39	Very low	41.9	Very low	53.5 Å²	53.5	130.6 Å²	130.6	55%	0.552	76%	0.758	S	S	*	*				-151.4	116.2	51.8	0	0	0	0	0	111.1	A3445	G3443-A3445 PolarHBondContact O-N 3.1Å
3444	D	45.5	Very low	42.7	Very low	133.25 Å²	133.25	128.3 Å²	128.3	71%	0.713	75%	0.752	S	S	*	*			trans	-63.5	113.8	-173.6	-58.1	-57.7	0	0	0	112.5	I3442 A3446	I3442-D3444 HydrophobicContact CG2-CB 4.01Å; I3442-D3444 WeakPolarHBondContact CG2-OD2 3.09Å; D3444-A3446 VanDerWaalsContact C-N 3.33Å; D3444-A3446 PolarHBondContact O-N 2.99Å
3445	A	38.2	Very low	43.8	Very low	102.75 Å²	102.75	127.3 Å²	127.3	85%	0.849	75%	0.753	S	S	*	*			trans	-85.2	93.2	166.6	0	0	0	0	0	109.2	G3443 S3447	G3443-A3445 PolarHBondContact O-N 3.1Å; A3445-S3447 VanDerWaalsContact C-N 3.26Å; A3445-S3447 PolarHBondContact O-N 3.12Å
3446	A	38.1	Very low	44.6	Very low	94.75 Å²	94.75	128.9 Å²	128.9	78%	0.783	75%	0.753	S	S	*	*			trans	-74.4	138.9	174.8	0	0	0	0	0	111	D3444 S3448	D3444-A3446 VanDerWaalsContact C-N 3.33Å; D3444-A3446 PolarHBondContact O-N 2.99Å; A3446-S3448 VanDerWaalsContact C-N 3.29Å; A3446-S3448 PolarHBondContact O-N 2.91Å
3447	S	37	Very low	45.1	Very low	104 Å²	104	129.4 Å²	129.4	73%	0.727	76%	0.755	S	S	*	*			trans	48.6	120.1	157.2	-162.9	0	0	0	0	114.7	A3445 V3449	A3445-S3447 VanDerWaalsContact C-N 3.26Å; A3445-S3447 PolarHBondContact O-N 3.12Å; S3447-V3449 PolarHBondContact O-N 3.21Å; S3447-V3449 WeakPolarHBondContact OG-CG2 3.3Å
3448	S	40.7	Very low	45.7	Very low	98.75 Å²	98.75	132.2 Å²	132.2	69%	0.691	76%	0.76	S	S	*	*			trans	-58.2	92.1	156	59.1	0	0	0	0	111.2	A3446 Y3450	A3446-S3448 VanDerWaalsContact C-N 3.29Å; A3446-S3448 PolarHBondContact O-N 2.91Å; S3448-Y3450 PolarHBondContact O-N 3.16Å
3449	V	49.5	Very low	46.2	Very low	115.75 Å²	115.75	126.3 Å²	126.3	70%	0.702	75%	0.747	S	S	*	*			trans	-80.7	113.4	152.4	178.3	0	0	0	0	106.3	S3447 D3451	S3447-V3449 PolarHBondContact O-N 3.21Å; S3447-V3449 WeakPolarHBondContact OG-CG2 3.3Å; V3449-D3451 HydrophobicContact CG1-CB 4.42Å; V3449-D3451 PolarHBondContact O-N 2.91Å
3450	Y	44.5	Very low	46.6	Very low	201 Å²	201	127.8 Å²	127.8	79%	0.788	75%	0.746	S	S	*	*			trans	-78.5	100.3	157.3	-81.9	-86.6	0	0	0	109.4	S3448 T3452	S3448-Y3450 PolarHBondContact O-N 3.16Å; Y3450-T3452 VanDerWaalsContact C-N 3.33Å; Y3450-T3452 PolarHBondContact O-N 2.86Å; Y3450-T3452 VanDerWaalsContact O-N 3.11Å
3451	D	51.1	Low	47	Very low	134 Å²	134	131.1 Å²	131.1	72%	0.717	75%	0.747	S	S	*	*			trans	-89.8	109.5	150.8	-107.4	-12.9	0	0	0	106.5	V3449 D3453	V3449-D3451 HydrophobicContact CG1-CB 4.42Å; V3449-D3451 PolarHBondContact O-N 2.91Å; D3451-D3453 PolarHBondContact O-N 3Å
3452	T	52	Low	47.6	Very low	123 Å²	123	130.1 Å²	130.1	76%	0.755	75%	0.754	S	S	*	*			trans	-123.6	90.8	163	18.8	0	0	0	0	105	Y3450 D3454	Y3450-T3452 VanDerWaalsContact C-N 3.33Å; Y3450-T3452 PolarHBondContact O-N 2.86Å; Y3450-T3452 VanDerWaalsContact O-N 3.11Å; T3452-D3454 VanDerWaalsContact C-N 3.25Å; T3452-D3454 PolarHBondContact O-N 3.05Å
3453	D	50.8	Low	48	Very low	135.5 Å²	135.5	130.4 Å²	130.4	73%	0.725	76%	0.757	S	S	*	*			trans	-68.9	119.3	169.5	-60.4	-60	0	0	0	108.5	D3451 D3455	D3451-D3453 PolarHBondContact O-N 3Å; D3453-D3455 PolarHBondContact O-N 2.95Å
3454	D	54.9	Low	48.4	Very low	142.75 Å²	142.75	135 Å²	135	76%	0.763	77%	0.769	S	S	*	*			trans	-102.2	106.5	168.1	-95.2	-24.4	0	0	0	107.8	T3452 D3456	T3452-D3454 VanDerWaalsContact C-N 3.25Å; T3452-D3454 PolarHBondContact O-N 3.05Å; D3454-D3456 PolarHBondContact O-N 3.17Å; D3454-D3456 VanDerWaalsContact O-N 3.11Å
3455	D	62.1	Low	48.4	Very low	155.75 Å²	155.75	136.2 Å²	136.2	83%	0.833	78%	0.775	S	S	*	*			trans	-103.3	84.3	169	-81.2	-43.6	0	0	0	109.1	D3453 D3457	D3453-D3455 PolarHBondContact O-N 2.95Å; D3455-D3457 VanDerWaalsContact C-N 3.35Å; D3455-D3457 PolarHBondContact O-N 3.07Å; D3455-D3457 VanDerWaalsContact O-N 3.11Å
3456	D	57.5	Low	49	Very low	145.5 Å²	145.5	138.8 Å²	138.8	78%	0.778	78%	0.775	S	S	*	*			trans	-65.6	101.7	169.2	-77.6	-41.6	0	0	0	109.6	D3454 E3458	D3454-D3456 PolarHBondContact O-N 3.17Å; D3454-D3456 VanDerWaalsContact O-N 3.11Å; D3456-E3458 PolarHBondContact O-N 3.01Å
3457	D	54	Low	49.2	Very low	162.25 Å²	162.25	141.8 Å²	141.8	87%	0.868	78%	0.778	S	S	*	*			trans	-64.8	97.4	163.9	-89	-32.2	0	0	0	111.3	D3455 G3459	D3455-D3457 VanDerWaalsContact C-N 3.35Å; D3455-D3457 PolarHBondContact O-N 3.07Å; D3455-D3457 VanDerWaalsContact O-N 3.11Å; D3457-G3459 PolarHBondContact O-N 3.18Å; D3457-G3459 VanDerWaalsContact O-N 3.12Å
3458	E	52.5	Low	49.1	Very low	184.75 Å²	184.75	140.4 Å²	140.4	86%	0.863	78%	0.78	S	S	*	*			trans	-70.7	105.9	171.8	-69	-168.2	165.4	0	0	110	D3456 D3460	D3456-E3458 PolarHBondContact O-N 3.01Å; E3458-D3460 PolarHBondContact O-N 3.05Å; E3458-D3460 VanDerWaalsContact O-N 3.08Å
3459	G	45	Very low	48.9	Very low	62.5 Å²	62.5	138.3 Å²	138.3	64%	0.644	77%	0.774	S	S	*	*			trans	-78.4	111.6	167.5	0	0	0	0	0	110.3	E2953 D3457 N3461	E2953-G3459 VanDerWaalsContact OE1-CA 3.23Å; E2953-G3459 WeakPolarHBondContact OE1-CA 2.88Å; D3457-G3459 PolarHBondContact O-N 3.18Å; D3457-G3459 VanDerWaalsContact O-N 3.12Å; G3459-N3461 PolarHBondContact O-N 2.96Å; G3459-N3461 PolarHBondContact O-ND2 3.46Å
3460	D	49.4	Very low	48.3	Very low	141.75 Å²	141.75	140.2 Å²	140.2	76%	0.758	78%	0.778	S	S	*	*			trans	-75.7	125.2	178.9	-99.1	-31.8	0	0	0	112	E2953 E3458 D3462	E2953-D3460 PolarHBondContact OE1-N 3.43Å; E3458-D3460 PolarHBondContact O-N 3.05Å; E3458-D3460 VanDerWaalsContact O-N 3.08Å; D3460-D3462 PolarHBondContact O-N 3.46Å; D3460-D3462 VanDerWaalsContact O-N 3.08Å
3461	N	44.6	Very low	48	Very low	139.75 Å²	139.75	138.5 Å²	138.5	75%	0.747	78%	0.775	S	S	*	*			trans	-68.6	99	162.5	-61.1	-92	0	0	0	111.2	G3459 D3463	G3459-N3461 PolarHBondContact O-N 2.96Å; G3459-N3461 PolarHBondContact O-ND2 3.46Å; N3461-D3463 PolarHBondContact O-N 3.11Å; N3461-D3463 VanDerWaalsContact O-N 3.15Å
3462	D	51.1	Low	47.6	Very low	154.75 Å²	154.75	138.7 Å²	138.7	83%	0.828	78%	0.776	S	S	*	*			trans	-77.5	105.6	163.3	-85.8	-32.6	0	0	0	109.8	D3460 D3464	D3460-D3462 PolarHBondContact O-N 3.46Å; D3460-D3462 VanDerWaalsContact O-N 3.08Å; D3462-D3464 PolarHBondContact O-N 3.31Å; D3462-D3464 VanDerWaalsContact O-N 3.12Å
3463	D	50	Low	46.9	Very low	152 Å²	152	142.3 Å²	142.3	81%	0.813	78%	0.781	S	S	*	*			trans	-76.3	119.1	169.8	-74.4	-48.7	0	0	0	110.5	N3461	N3461-D3463 PolarHBondContact O-N 3.11Å; N3461-D3463 VanDerWaalsContact O-N 3.15Å
3464	D	47	Very low	46.3	Very low	150 Å²	150	142.6 Å²	142.6	80%	0.802	78%	0.783	S	S	*	*			trans	-83.1	121.9	154.4	-87.6	-36	0	0	0	113.5	D3462 D3466	D3462-D3464 PolarHBondContact O-N 3.31Å; D3462-D3464 VanDerWaalsContact O-N 3.12Å; D3464-D3466 PolarHBondContact O-N 3.19Å
3465	D	46.7	Very low	45.4	Very low	159.25 Å²	159.25	141.5 Å²	141.5	85%	0.852	78%	0.781	S	S	*	*			trans	-43.6	113.7	155.9	-81.9	-32.2	0	0	0	115.5
3466	D	49.5	Very low	44.2	Very low	158 Å²	158	142.6 Å²	142.6	85%	0.845	78%	0.779	S	S	*	*			trans	-132.6	93.1	155	-127.8	-13	0	0	0	114.2	D3464 G3468	D3464-D3466 PolarHBondContact O-N 3.19Å; D3466-G3468 VanDerWaalsContact C-N 3.26Å; D3466-G3468 PolarHBondContact O-N 3.09Å
3467	D	42.8	Very low	43	Very low	157.75 Å²	157.75	144.7 Å²	144.7	84%	0.844	78%	0.781	S	S	*	*			trans	-64.4	85.7	169	-132.3	-16	0	0	0	112.2	G3469 K3471	D3467-G3469 PolarHBondContact O-N 2.98Å; D3467-K3471 IonicContact OD1-NZ 2.73Å; D3467-K3471 PolarHBondContact OD1-NZ 3.18Å; D3467-K3471 IonicContact OD2-NZ 2.62Å; D3467-K3471 PolarHBondContact OD2-NZ 3.31Å
3468	G	36.2	Very low	42.1	Very low	73.5 Å²	73.5	144.2 Å²	144.2	76%	0.758	78%	0.777	S	S	*	*			trans	-68.7	66.3	179.6	0	0	0	0	0	116.5	D3466	D3466-G3468 VanDerWaalsContact C-N 3.26Å; D3466-G3468 PolarHBondContact O-N 3.09Å
3469	G	34.7	Very low	41.1	Very low	55.5 Å²	55.5	140.3 Å²	140.3	57%	0.572	77%	0.766	S	S	*	*			trans	-78.5	116.3	176	0	0	0	0	0	117.7	D3467 K3471	D3467-G3469 PolarHBondContact O-N 2.98Å; G3469-K3471 PolarHBondContact O-N 2.85Å; G3469-K3471 PolarHBondContact O-NZ 2.97Å
3470	I	37.2	Very low	40.6	Very low	154.25 Å²	154.25	142.4 Å²	142.4	79%	0.791	77%	0.77	S	S	*	*			trans	-5.8	96	161.9	-56.3	175.9	0	0	0	112.7	N3472	I3470-N3472 VanDerWaalsContact C-N 3.25Å; I3470-N3472 PolarHBondContact O-N 2.89Å
3471	K	39	Very low	39.7	Very low	165.25 Å²	165.25	142.2 Å²	142.2	72%	0.718	77%	0.768	S	S	*	*			trans	-77.9	96.8	140.3	-72.3	155.3	-173.2	134.9	0	112.2	D3467 G3469 K3473	D3467-K3471 IonicContact OD1-NZ 2.73Å; D3467-K3471 PolarHBondContact OD1-NZ 3.18Å; D3467-K3471 IonicContact OD2-NZ 2.62Å; D3467-K3471 PolarHBondContact OD2-NZ 3.31Å; G3469-K3471 PolarHBondContact O-N 2.85Å; G3469-K3471 PolarHBondContact O-NZ 2.97Å; K3471-K3473 PolarHBondContact O-N 2.95Å
3472	N	41.9	Very low	39	Very low	139.25 Å²	139.25	142.9 Å²	142.9	75%	0.745	77%	0.772	S	S	*	*			trans	-142.6	76.1	147.3	-84.6	-28	0	0	0	114.7	I3470 N3474	I3470-N3472 VanDerWaalsContact C-N 3.25Å; I3470-N3472 PolarHBondContact O-N 2.89Å; N3472-N3474 PolarHBondContact O-N 3.18Å
3473	K	37.7	Very low	38.2	Very low	198.75 Å²	198.75	141.6 Å²	141.6	86%	0.864	77%	0.769	S	S	*	*			trans	-49.7	79.1	145.5	-70.1	-180	-179.8	172.5	0	111.9	K3471 T3475	K3471-K3473 PolarHBondContact O-N 2.95Å; K3473-T3475 VanDerWaalsContact C-N 3.28Å; K3473-T3475 PolarHBondContact O-N 3.08Å
3474	N	37.4	Very low	37.2	Very low	141.5 Å²	141.5	137.4 Å²	137.4	76%	0.757	76%	0.762	S	S	*	*			trans	-91.8	93.2	172.6	-143	-15.5	0	0	0	112	N3472 K3476	N3472-N3474 PolarHBondContact O-N 3.18Å; N3474-K3476 PolarHBondContact O-N 2.92Å
3475	T	36	Very low	36.7	Very low	119 Å²	119	137.9 Å²	137.9	73%	0.73	76%	0.763	S	S	*	*			trans	-109.2	110.4	177.7	49.9	0	0	0	0	112.4	K3473 K3477	K3473-T3475 VanDerWaalsContact C-N 3.28Å; K3473-T3475 PolarHBondContact O-N 3.08Å; T3475-K3477 PolarHBondContact O-N 3.33Å
3476	K	36.9	Very low	35.9	Very low	180.25 Å²	180.25	135.8 Å²	135.8	78%	0.784	76%	0.758	S	S	*	*			trans	36.3	104.8	155.1	-62.2	167.4	-176.5	170.8	0	113.5	N3474 I3478	N3474-K3476 PolarHBondContact O-N 2.92Å; K3476-I3478 VanDerWaalsContact C-N 3.3Å; K3476-I3478 HydrophobicContact CB-CD1 4.5Å; K3476-I3478 HydrophobicContact CB-CG1 4.28Å; K3476-I3478 PolarHBondContact O-N 2.83Å
3477	K	32.6	Very low	35	Very low	189 Å²	189	135.9 Å²	135.9	82%	0.822	75%	0.753	S	S	*	*				-158.4	107.9	91	-136.6	176.2	-175.8	179.4	0	112.2	T3475	T3475-K3477 PolarHBondContact O-N 3.33Å
3478	I	35.1	Very low	34.5	Very low	151 Å²	151	136 Å²	136	77%	0.774	75%	0.748	S	S	*	*			trans	-83.9	109.4	156.5	-57.7	172.8	0	0	0	108.9	K3476	K3476-I3478 VanDerWaalsContact C-N 3.3Å; K3476-I3478 HydrophobicContact CB-CD1 4.5Å; K3476-I3478 HydrophobicContact CB-CG1 4.28Å; K3476-I3478 PolarHBondContact O-N 2.83Å
3479	T	31.8	Very low	34.3	Very low	104.25 Å²	104.25	137.8 Å²	137.8	64%	0.64	75%	0.745	S	S	*	*				74	111.3	117.5	-50.4	0	0	0	0	112.7	V3003 I3481	V3003-T3479 HydrophobicContact CG1-CG2 3.63Å; T3479-I3481 HydrophobicContact CG2-CD1 3.71Å; T3479-I3481 HydrophobicContact CG2-CG1 4.02Å; T3479-I3481 PolarHBondContact O-N 2.92Å
3480	S	34.5	Very low	34.3	Very low	105.25 Å²	105.25	143.3 Å²	143.3	74%	0.736	76%	0.755	S	S	*	*			trans	-62.8	119.4	162.9	38.8	0	0	0	0	112.1
3481	I	30.8	Very low	34.1	Very low	138.75 Å²	138.75	141.5 Å²	141.5	71%	0.712	75%	0.752	S	S	*	*				78.8	111.8	89.5	-64.7	174.1	0	0	0	111.4	T3479 V3483	T3479-I3481 HydrophobicContact CG2-CD1 3.71Å; T3479-I3481 HydrophobicContact CG2-CG1 4.02Å; T3479-I3481 PolarHBondContact O-N 2.92Å; I3481-V3483 HydrophobicContact CG2-CG2 3.78Å
3482	N	30.8	Very low	33.7	Very low	153.25 Å²	153.25	140.1 Å²	140.1	82%	0.82	75%	0.752	S	S	*	*			trans	134.5	108.4	164.9	-114.9	8.2	0	0	0	113.9
3483	V	33.2	Very low	33.1	Very low	128.25 Å²	128.25	143.7 Å²	143.7	78%	0.777	76%	0.755	S	S	*	*			trans	-154	120	142.7	164.8	0	0	0	0	107.4	I3481 I3485	I3481-V3483 HydrophobicContact CG2-CG2 3.78Å; V3483-I3485 PolarHBondContact O-N 2.9Å
3484	G	29.7	Very low	32.8	Very low	64 Å²	64	140.9 Å²	140.9	66%	0.66	75%	0.749	S	S	*	*			trans	-115.1	134.5	158.1	0	0	0	0	0	112.9
3485	I	35.8	Very low	32.6	Very low	159.25 Å²	159.25	141.1 Å²	141.1	82%	0.817	75%	0.75	S	S	*	*			trans	66.3	107.5	145.6	-52.3	176.7	0	0	0	114	V3483	V3483-I3485 PolarHBondContact O-N 2.9Å
3486	P	31.3	Very low	32.4	Very low	116 Å²	116	143.8 Å²	143.8	75%	0.753	75%	0.752	S	S	*	*			trans	-93.9	147.4	146.3	34.3	-29.8	0	0	0	112.5
3487	H	30.2	Very low	32.1	Very low	159 Å²	159	141.4 Å²	141.4	74%	0.736	75%	0.748	S	S	*	*			trans	-144.4	125.3	157.7	-136.4	-85.5	0	0	0	112.1
3488	E	31.5	Very low	32.1	Very low	159.75 Å²	159.75	138.1 Å²	138.1	75%	0.746	75%	0.749	S	S	*	*			trans	-60.3	145.9	150.6	-78.7	169.9	171.8	0	0	110.8
3489	V	32.4	Very low	32	Very low	112.5 Å²	112.5	136 Å²	136	68%	0.682	75%	0.748	S	S	*	*				-170.7	133.8	84.8	160.6	0	0	0	0	110	T3491	V3489-T3491 HydrophobicContact CG1-CG2 4.14Å; V3489-T3491 PolarHBondContact O-N 2.85Å
3490	E	33.5	Very low	32	Very low	170.5 Å²	170.5	136.7 Å²	136.7	80%	0.797	75%	0.752	S	S	*	*			trans	-2.5	137.9	169	-66.2	175.4	162.9	0	0	115.5	N3492	E3490-N3492 PolarHBondContact O-N 3Å
3491	T	33.6	Very low	32.1	Very low	117.25 Å²	117.25	139 Å²	139	72%	0.719	75%	0.754	S	S	*	*				106.8	107.1	115.8	57.2	0	0	0	0	111.7	V3489 R3493	V3489-T3491 HydrophobicContact CG1-CG2 4.14Å; V3489-T3491 PolarHBondContact O-N 2.85Å; T3491-R3493 PolarHBondContact O-N 3.1Å
3492	N	31.9	Very low	32.2	Very low	134.5 Å²	134.5	139.2 Å²	139.2	72%	0.719	76%	0.757	S	S	*	*			trans	84.8	119.6	132.6	-119.9	-24.5	0	0	0	113.5	E3490	E3490-N3492 PolarHBondContact O-N 3Å
3493	R	29.1	Very low	32.2	Very low	215.75 Å²	215.75	140.3 Å²	140.3	81%	0.814	76%	0.757	S	S	*	*				174.2	108.5	98.5	-94.6	179.6	-178.5	165.3	0.8	110.9	T3491	T3491-R3493 PolarHBondContact O-N 3.1Å
3494	N	31.7	Very low	32.1	Very low	139 Å²	139	142.1 Å²	142.1	74%	0.743	76%	0.759	S	S	*	*			trans	131.8	112.6	130.8	-73.1	-19.4	0	0	0	114.5
3495	N	32.2	Very low	32.3	Very low	145.75 Å²	145.75	147.3 Å²	147.3	78%	0.779	77%	0.766	S	S	*	*				43.9	112	111.5	-70.5	-17.5	0	0	0	114.4
3496	K	31.1	Very low	32.1	Very low	177.25 Å²	177.25	146.7 Å²	146.7	77%	0.771	76%	0.763	S	S	*	*				-179	137.2	102.3	-92.3	-175.7	161.9	-146.4	0	113.6
3497	D	32.1	Very low	32.2	Very low	129.25 Å²	129.25	148.3 Å²	148.3	69%	0.691	77%	0.766	S	S	*	*			trans	53.8	104.4	139.9	-54.5	-34.2	0	0	0	117	S3499	D3497-S3499 VanDerWaalsContact C-N 3.26Å; D3497-S3499 PolarHBondContact O-N 3.18Å
3498	S	32	Very low	32.3	Very low	120.25 Å²	120.25	147.1 Å²	147.1	84%	0.841	77%	0.77	S	S	*	*			trans	-144.5	107.7	138.1	61.7	0	0	0	0	112.9	T3500	S3498-T3500 PolarHBondContact O-N 3.01Å
3499	S	32	Very low	32.5	Very low	107 Å²	107	145 Å²	145	75%	0.748	77%	0.77	S	S	*	*			trans	-98	134	175	72.1	0	0	0	0	112.6	D3497	D3497-S3499 VanDerWaalsContact C-N 3.26Å; D3497-S3499 PolarHBondContact O-N 3.18Å
3500	T	33.7	Very low	32.3	Very low	118.75 Å²	118.75	146.1 Å²	146.1	73%	0.729	78%	0.777	S	S	*	*			trans	-157.6	113	140.8	-56.1	0	0	0	0	110.2	S3498 N3502	S3498-T3500 PolarHBondContact O-N 3.01Å; T3500-N3502 PolarHBondContact O-N 2.92Å
3501	I	35.4	Very low	32.1	Very low	153.75 Å²	153.75	143.1 Å²	143.1	79%	0.788	77%	0.774	S	S	*	*			trans	-20.1	119.9	153	-69.3	168.3	0	0	0	113.1
3502	N	32.3	Very low	32	Very low	143 Å²	143	145.3 Å²	145.3	77%	0.765	78%	0.778	S	S	*	*			trans	-128.9	135.4	150.4	-88.9	-43.9	0	0	0	111.4	T3500	T3500-N3502 PolarHBondContact O-N 2.92Å
3503	H	31.9	Very low	32	Very low	175.25 Å²	175.25	145 Å²	145	81%	0.811	78%	0.777	S	S	*	*			trans	-82	123.5	152.4	-92.1	-87.1	0	0	0	113.5
3504	M	31.7	Very low	32.2	Very low	167 Å²	167	145 Å²	145	82%	0.823	78%	0.777	S	S	*	*			trans	142.7	113.7	140.3	-95.8	-171.7	3.2	0	0	114.3
3505	Q	33.2	Very low	32.2	Very low	172.25 Å²	172.25	145.8 Å²	145.8	81%	0.805	78%	0.781	S	S	*	*			trans	120.7	132.8	131.2	-122.8	170.4	-6	0	0	114.3
3506	L	31.8	Very low	32	Very low	147.25 Å²	147.25	144.7 Å²	144.7	77%	0.771	78%	0.784	S	S	*	*				-148.9	131.3	112.3	-96.5	83.2	0	0	0	113.8
3507	N	33.4	Very low	31.9	Very low	149 Å²	149	147.5 Å²	147.5	80%	0.797	79%	0.789	S	S	*	*			trans	120.2	120.7	142	-75.9	-8.7	0	0	0	116.8
3508	T	31.5	Very low	31.7	Very low	133.75 Å²	133.75	148.7 Å²	148.7	82%	0.821	80%	0.795	S	S	*	*			trans	-107.8	162.8	147	28.9	0	0	0	0	114.7
3509	P	35.2	Very low	31.6	Very low	115 Å²	115	149.2 Å²	149.2	75%	0.747	79%	0.793	S	S	*	*				-128.6	172	-80.9	36.5	-18.3	0	0	0	115.4
3510	V	28.8	Very low	31.5	Very low	136.75 Å²	136.75	149.9 Å²	149.9	83%	0.829	79%	0.793	S	S	*	*			trans	-170.3	123.2	153.5	-176	0	0	0	0	111.2
3511	S	29.5	Very low	31.4	Very low	106.75 Å²	106.75	150.2 Å²	150.2	75%	0.747	80%	0.795	S	S	*	*				-178.9	128.2	97.9	-173.8	0	0	0	0	111
3512	M	32	Very low	31.1	Very low	163 Å²	163	150.1 Å²	150.1	80%	0.803	79%	0.794	S	S	*	*			trans	-122.3	146.3	160.9	-69.6	-95.9	-108.4	0	0	112.9
3513	D	31.6	Very low	31.1	Very low	129.75 Å²	129.75	148.6 Å²	148.6	69%	0.694	79%	0.79	S	S	*	*				-145	141	125	-156.8	-7.2	0	0	0	112.7
3514	R	34	Very low	30.9	Very low	216.25 Å²	216.25	146 Å²	146	82%	0.816	79%	0.787	S	S	*	*			trans	143.4	104.8	161.4	-80.1	167.5	-165.6	-168.1	3.6	114.9	C3516	R3514-C3516 PolarHBondContact O-N 3.33Å; R3514-C3516 VanDerWaalsContact O-N 3.17Å
3515	N	31.5	Very low	30.9	Very low	153.75 Å²	153.75	148.6 Å²	148.6	82%	0.822	79%	0.787	S	S	*	*				-14.1	113.6	129.1	-81.9	-40.4	0	0	0	115	R3517	N3515-R3517 PolarHBondContact O-N 3.02Å
3516	C	27.7	Very low	30.7	Very low	124 Å²	124	149 Å²	149	84%	0.838	79%	0.789	S	S	*	*			trans	-168.8	108.1	154	-82.3	0	0	0	0	112	R3514	R3514-C3516 PolarHBondContact O-N 3.33Å; R3514-C3516 VanDerWaalsContact O-N 3.17Å
3517	R	28.3	Very low	30.6	Very low	235.5 Å²	235.5	147.8 Å²	147.8	89%	0.889	79%	0.791	S	S	*	*				70.1	125.1	116.5	-150.4	178.5	-167.4	-169.5	3.9	114.6	N3515 T3519	N3515-R3517 PolarHBondContact O-N 3.02Å; R3517-T3519 PolarHBondContact O-N 3.11Å
3518	L	28.5	Very low	30.4	Very low	153.75 Å²	153.75	149.3 Å²	149.3	81%	0.805	79%	0.794	S	S	*	*			trans	-45.4	122.8	174.1	-71.5	99.7	0	0	0	112.4
3519	T	30.3	Very low	30.3	Very low	132 Å²	132	151.6 Å²	151.6	81%	0.81	80%	0.795	S	S	*	*			trans	-145.7	106.1	132	-55.1	0	0	0	0	110.1	R3517 T3521	R3517-T3519 PolarHBondContact O-N 3.11Å; T3519-T3521 PolarHBondContact O-N 2.94Å
3520	T	28.9	Very low	30.1	Very low	121.75 Å²	121.75	151.6 Å²	151.6	75%	0.747	80%	0.798	S	S	*	*			trans	-55.3	120.5	166.1	-48	0	0	0	0	113.2	I3522	T3520-I3522 PolarHBondContact O-N 3.46Å
3521	T	32.2	Very low	30.3	Very low	124.75 Å²	124.75	151.2 Å²	151.2	77%	0.765	80%	0.796	S	S	*	*			trans	-124	115.4	161	-58.6	0	0	0	0	110.9	T3519 V3523	T3519-T3521 PolarHBondContact O-N 2.94Å; T3521-V3523 HydrophobicContact CG2-CG2 4.16Å
3522	I	29.5	Very low	30.2	Very low	151.25 Å²	151.25	152.6 Å²	152.6	78%	0.776	80%	0.795	S	S	*	*			trans	-94.5	136	162.8	-59.6	171.8	0	0	0	107.6	T3520	T3520-I3522 PolarHBondContact O-N 3.46Å
3523	V	31.5	Very low	30.2	Very low	112.75 Å²	112.75	151.2 Å²	151.2	68%	0.683	79%	0.79	S	S	*	*			trans	-170.3	101.5	161.4	178.3	0	0	0	0	111.6	T3521 R3525	T3521-V3523 HydrophobicContact CG2-CG2 4.16Å; V3523-R3525 HydrophobicContact CG1-CG 4.45Å
3524	T	28.2	Very low	30.1	Very low	119.5 Å²	119.5	151.4 Å²	151.4	73%	0.733	79%	0.791	S	S	*	*			trans	-91.4	120.9	146	16	0	0	0	0	113	Q3526	T3524-Q3526 PolarHBondContact O-N 3.13Å
3525	R	30.5	Very low	29.9	Very low	222.25 Å²	222.25	151.6 Å²	151.6	84%	0.839	79%	0.794	S	S	*	*			trans	-131.3	118.4	153	-71.8	177.6	-147.7	-114	2.4	110.7	V3523 C3527	V3523-R3525 HydrophobicContact CG1-CG 4.45Å; R3525-C3527 PolarHBondContact O-N 3.44Å
3526	Q	29.3	Very low	29.9	Very low	179.75 Å²	179.75	148.9 Å²	148.9	84%	0.84	79%	0.793	S	S	*	*				-83.8	126.6	111.7	-93	175.8	-32.6	0	0	111.2	T3524	T3524-Q3526 PolarHBondContact O-N 3.13Å
3527	C	30.1	Very low	30.1	Very low	121.5 Å²	121.5	149.8 Å²	149.8	82%	0.821	79%	0.79	S	S	*	*			trans	-132.6	114.1	158.2	-79.4	0	0	0	0	108.9	R3525	R3525-C3527 PolarHBondContact O-N 3.44Å
3528	Q	29.2	Very low	30.2	Very low	181 Å²	181	146.4 Å²	146.4	85%	0.846	79%	0.788	S	S	*	*			trans	122.3	108.7	138.5	-84.2	177.6	-35.1	0	0	113.4
3529	Q	28.5	Very low	30.4	Very low	183.25 Å²	183.25	146 Å²	146	86%	0.856	79%	0.786	S	S	*	*			trans	-118.3	132.5	152.5	-103.5	169.6	-17.6	0	0	111.7	V3531	Q3529-V3531 HydrophobicContact CB-CG2 4.25Å; Q3529-V3531 PolarHBondContact O-N 3.21Å
3530	S	31.3	Very low	30.5	Very low	114.25 Å²	114.25	148.1 Å²	148.1	80%	0.799	79%	0.786	S	S	*	*			trans	-110.4	136.4	169.6	58.8	0	0	0	0	110.1
3531	V	33	Very low	30.8	Very low	128.75 Å²	128.75	149.2 Å²	149.2	78%	0.78	79%	0.786	S	S	*	*			trans	-82.4	122.1	176.1	-150	0	0	0	0	112.6	Q3529	Q3529-V3531 HydrophobicContact CB-CG2 4.25Å; Q3529-V3531 PolarHBondContact O-N 3.21Å
3532	N	28.9	Very low	30.8	Very low	135.5 Å²	135.5	149.3 Å²	149.3	73%	0.725	78%	0.782	S	S	*	*			trans	-91.5	127.5	157.6	-158.9	13.8	0	0	0	114.2	N3534	N3532-N3534 PolarHBondContact OD1-ND2 2.84Å
3533	N	31.3	Very low	31	Very low	133.25 Å²	133.25	150.8 Å²	150.8	71%	0.713	79%	0.786	S	S	*	*			trans	77.1	109.1	152.2	-69.2	-25	0	0	0	117.7
3534	N	28.9	Very low	31.1	Very low	133.75 Å²	133.75	154.7 Å²	154.7	72%	0.715	79%	0.788	S	S	*	*			trans	1	132.1	146.2	-70.3	-41.3	0	0	0	115.1	N3532	N3532-N3534 PolarHBondContact OD1-ND2 2.84Å
3535	Y	30.1	Very low	31.3	Very low	220.75 Å²	220.75	156.1 Å²	156.1	87%	0.866	79%	0.791	S	S	*	*			trans	143.6	107.2	154.1	-74.5	-72.7	0	0	0	114.2	N3537	Y3535-N3537 PolarHBondContact O-N 3.27Å; Y3535-N3537 PolarHBondContact O-ND2 3.31Å
3536	A	32	Very low	31.3	Very low	98 Å²	98	151.3 Å²	151.3	81%	0.81	79%	0.791	S	S	*	*			trans	-175.6	100.6	147.3	0	0	0	0	0	113.2
3537	N	32.6	Very low	31.2	Very low	143.5 Å²	143.5	150.1 Å²	150.1	77%	0.767	79%	0.789	S	S	*	*			trans	-104.4	115.5	158.2	-72.6	-66.5	0	0	0	108.4	Y3535 L3539	Y3535-N3537 PolarHBondContact O-N 3.27Å; Y3535-N3537 PolarHBondContact O-ND2 3.31Å; N3537-L3539 VanDerWaalsContact C-N 3.26Å; N3537-L3539 PolarHBondContact O-N 3.38Å
3538	L	30.4	Very low	31.1	Very low	163.25 Å²	163.25	152.8 Å²	152.8	86%	0.855	79%	0.789	S	S	*	*				-169.4	108.1	122	-97.9	137.1	0	0	0	110.8
3539	L	32.5	Very low	31.1	Very low	144.5 Å²	144.5	149.5 Å²	149.5	76%	0.757	79%	0.787	S	S	*	*			trans	170.3	116.5	156.6	-118.4	80	0	0	0	113.6	N3537 I3541	N3537-L3539 VanDerWaalsContact C-N 3.26Å; N3537-L3539 PolarHBondContact O-N 3.38Å; L3539-I3541 HydrophobicContact CD2-CD1 4.37Å
3540	Q	31.1	Very low	31.3	Very low	176.25 Å²	176.25	146.2 Å²	146.2	82%	0.824	78%	0.778	S	S	*	*			trans	-135.9	134.4	153.3	-147.9	170.6	5.3	0	0	110.2
3541	I	36.5	Very low	31.3	Very low	144.5 Å²	144.5	147.3 Å²	147.3	74%	0.741	78%	0.776	S	S	*	*			trans	-138.2	123.2	149.4	-65.3	173	0	0	0	110.6	L3539 E3543	L3539-I3541 HydrophobicContact CD2-CD1 4.37Å; I3541-E3543 PolarHBondContact O-N 3.31Å; I3541-E3543 VanDerWaalsContact O-N 3.12Å
3542	D	31.8	Very low	31.2	Very low	128.25 Å²	128.25	147.3 Å²	147.3	69%	0.686	77%	0.771	S	S	*	*			trans	-49	129.6	171.9	-73.1	-64.3	0	0	0	114.4	R3544	D3542-R3544 HydrophobicContact CB-CG 4.18Å; D3542-R3544 VanDerWaalsContact CG-NE 3.29Å; D3542-R3544 PolarHBondContact O-N 3.2Å; D3542-R3544 VanDerWaalsContact O-N 3.09Å; D3542-R3544 IonicContact OD1-CZ 3.14Å; D3542-R3544 IonicContact OD1-NE 2.72Å; D3542-R3544 PolarHBondContact OD1-NE 2.84Å; D3542-R3544 IonicContact OD1-NH2 2.75Å; D3542-R3544 PolarHBondContact OD1-NH2 3.08Å; D3542-R3544 IonicContact OD2-CZ 3.57Å; D3542-R3544 IonicContact OD2-NE 3.73Å; D3542-R3544 IonicContact OD2-NH2 2.92Å; D3542-R3544 PolarHBondContact OD2-NH2 3.34Å
3543	E	33.6	Very low	31.3	Very low	181.5 Å²	181.5	147.7 Å²	147.7	85%	0.848	77%	0.773	S	S	*	*			trans	-98.5	109.9	144.5	-78.7	-171.6	159.7	0	0	110.9	I3541 N3545	I3541-E3543 PolarHBondContact O-N 3.31Å; I3541-E3543 VanDerWaalsContact O-N 3.12Å; E3543-N3545 PolarHBondContact O-N 3.32Å; E3543-N3545 VanDerWaalsContact O-N 3.1Å
3544	R	32.6	Very low	31.3	Very low	195 Å²	195	148.9 Å²	148.9	74%	0.736	78%	0.775	S	S	*	*			trans	-69.1	123.6	160.2	-64.2	-178.1	-167.7	147.9	10.1	113.6	D3542	D3542-R3544 HydrophobicContact CB-CG 4.18Å; D3542-R3544 VanDerWaalsContact CG-NE 3.29Å; D3542-R3544 PolarHBondContact O-N 3.2Å; D3542-R3544 VanDerWaalsContact O-N 3.09Å; D3542-R3544 IonicContact OD1-CZ 3.14Å; D3542-R3544 IonicContact OD1-NE 2.72Å; D3542-R3544 PolarHBondContact OD1-NE 2.84Å; D3542-R3544 IonicContact OD1-NH2 2.75Å; D3542-R3544 PolarHBondContact OD1-NH2 3.08Å; D3542-R3544 IonicContact OD2-CZ 3.57Å; D3542-R3544 IonicContact OD2-NE 3.73Å; D3542-R3544 IonicContact OD2-NH2 2.92Å; D3542-R3544 PolarHBondContact OD2-NH2 3.34Å
3545	N	33.3	Very low	31.4	Very low	148.75 Å²	148.75	151.3 Å²	151.3	80%	0.795	78%	0.781	S	S	*	*			trans	85.9	104.6	146.4	-66.7	-19.1	0	0	0	116.1	E3543	E3543-N3545 PolarHBondContact O-N 3.32Å; E3543-N3545 VanDerWaalsContact O-N 3.1Å
3546	C	30.1	Very low	31.4	Very low	122.5 Å²	122.5	145 Å²	145	83%	0.828	78%	0.775	S	S	*	*			trans	-134.9	117	137.2	-75.2	0	0	0	0	111.5	H3548	C3546-H3548 PolarHBondContact O-N 3.27Å
3547	L	27.1	Very low	31.4	Very low	153.25 Å²	153.25	145.1 Å²	145.1	80%	0.802	77%	0.77	S	S	*	*			trans	-9.4	119.9	157.5	-105	118.6	0	0	0	114.8	S3549	L3547-S3549 PolarHBondContact O-N 2.98Å
3548	H	28.2	Very low	31.2	Very low	178.25 Å²	178.25	147.6 Å²	147.6	83%	0.825	77%	0.774	S	S	*	*			trans	-86.8	137.4	137.2	-89	50.3	0	0	0	113.3	C3546	C3546-H3548 PolarHBondContact O-N 3.27Å
3549	S	30	Very low	31.2	Very low	113.25 Å²	113.25	144.9 Å²	144.9	79%	0.792	77%	0.769	S	S	*	*			trans	-135	129	150.4	-169.6	0	0	0	0	110.2	L3547	L3547-S3549 PolarHBondContact O-N 2.98Å
3550	V	32.8	Very low	31.2	Very low	112.75 Å²	112.75	143.8 Å²	143.8	68%	0.683	77%	0.768	S	S	*	*			trans	-135.4	118.4	170	-178.7	0	0	0	0	110.4	N3552	V3550-N3552 PolarHBondContact O-N 3.01Å
3551	N	29.8	Very low	31	Very low	138.75 Å²	138.75	142.9 Å²	142.9	74%	0.742	76%	0.763	S	S	*	*			trans	-139.9	109.8	161.3	-147	12	0	0	0	114	N3553	N3551-N3553 PolarHBondContact O-N 2.89Å
3552	N	31.1	Very low	30.8	Very low	128.5 Å²	128.5	145.2 Å²	145.2	69%	0.687	77%	0.768	S	S	*	*			trans	-16.7	127	142.3	-63.8	-20.9	0	0	0	115.6	V3550 E3554	V3550-N3552 PolarHBondContact O-N 3.01Å; N3552-E3554 PolarHBondContact O-N 3.26Å
3553	N	32.4	Very low	30.5	Very low	143.75 Å²	143.75	143.7 Å²	143.7	77%	0.769	77%	0.768	S	S	*	*			trans	-179.1	130.1	143.8	-92.2	3.6	0	0	0	110.4	N3551	N3551-N3553 PolarHBondContact O-N 2.89Å
3554	E	31.2	Very low	30.4	Very low	158.25 Å²	158.25	141.7 Å²	141.7	74%	0.739	77%	0.768	S	S	*	*			cis	-147.7	134.3	30.1	-111.2	173.8	-178	0	0	110.5	N3552	N3552-E3554 PolarHBondContact O-N 3.26Å
3555	H	31.1	Very low	30.2	Very low	183.25 Å²	183.25	136.5 Å²	136.5	85%	0.848	77%	0.767	S	S	*	*			trans	2.6	130.1	153.9	-74.4	-70	0	0	0	115.2
3556	A	28.4	Very low	30.1	Very low	88.5 Å²	88.5	136.7 Å²	136.7	73%	0.731	77%	0.768	S	S	*	*			trans	-137.6	143.7	147.6	0	0	0	0	0	111.7
3557	S	32	Very low	30.1	Very low	101 Å²	101	138 Å²	138	71%	0.706	77%	0.765	S	S	*	*			trans	142	120.4	146.8	-72.3	0	0	0	0	114.4
3558	K	29.1	Very low	30.3	Very low	196 Å²	196	137.8 Å²	137.8	85%	0.852	77%	0.765	S	S	*	*				76.8	115.9	98.1	-75.2	170.1	-173.9	176.4	0	115
3559	S	29.8	Very low	30.3	Very low	106.75 Å²	106.75	134.7 Å²	134.7	75%	0.747	76%	0.764	S	S	*	*				-109.4	119.2	123.4	-172.5	0	0	0	0	111.8
3560	T	32.3	Very low	30.2	Very low	121 Å²	121	134.2 Å²	134.2	74%	0.742	76%	0.76	S	S	*	*				-168.5	127.5	116.9	-25.3	0	0	0	0	113.9
3561	H	28.8	Very low	30	Very low	157.25 Å²	157.25	133.6 Å²	133.6	73%	0.728	76%	0.761	S	S	*	*			trans	-2.9	131.7	149.2	-87.7	-84.7	0	0	0	117.3
3562	F	30.9	Very low	29.9	Very low	192.25 Å²	192.25	137.9 Å²	137.9	84%	0.843	77%	0.768	S	S	*	*			trans	84.9	141.1	141.5	-77.7	-74.9	0	0	0	117
3563	S	27	Very low	29.8	Very low	97.25 Å²	97.25	137.2 Å²	137.2	68%	0.68	77%	0.773	S	S	*	*			trans	-138.6	159.7	-171.8	-72.1	0	0	0	0	112.7
3564	T	29.9	Very low	29.5	Very low	139.25 Å²	139.25	137.7 Å²	137.7	85%	0.854	78%	0.775	S	S	*	*			trans	68.1	133.1	156	40.4	0	0	0	0	115.6
3565	A	29.5	Very low	29.3	Very low	86.5 Å²	86.5	135.9 Å²	135.9	72%	0.715	78%	0.775	S	S	*	*			trans	-97.9	141.8	171	0	0	0	0	0	113.2
3566	D	30.5	Very low	29.2	Very low	151.75 Å²	151.75	133 Å²	133	81%	0.811	77%	0.77	S	S	*	*			trans	-142.4	132.4	137.3	-78.8	-42.9	0	0	0	109.5
3567	I	31.4	Very low	29.3	Very low	151 Å²	151	135.4 Å²	135.4	77%	0.774	77%	0.77	S	S	*	*			trans	138.9	109.7	135.8	-57.6	174.8	0	0	0	112.2
3568	D	29.7	Very low	29.1	Very low	148.5 Å²	148.5	138 Å²	138	79%	0.794	78%	0.776	S	S	*	*			trans	-110.8	129	155	-90.9	-42.5	0	0	0	113.9	S3570	D3568-S3570 PolarHBondContact O-N 3.37Å; D3568-S3570 VanDerWaalsContact O-N 3.13Å
3569	S	29.1	Very low	28.9	Very low	113.75 Å²	113.75	133.2 Å²	133.2	80%	0.795	77%	0.768	S	S	*	*			trans	-138.1	105.6	149.5	-68.6	0	0	0	0	112.3
3570	S	27.9	Very low	28.9	Very low	101.5 Å²	101.5	136.4 Å²	136.4	71%	0.71	77%	0.771	S	S	*	*				76.8	111	103.8	-175.4	0	0	0	0	114.6	D3568	D3568-S3570 PolarHBondContact O-N 3.37Å; D3568-S3570 VanDerWaalsContact O-N 3.13Å
3571	S	28.1	Very low	28.7	Very low	100.5 Å²	100.5	136.4 Å²	136.4	70%	0.703	77%	0.77	S	S	*	*			trans	79.5	118	140.7	-53.9	0	0	0	0	117.3	S3573	S3571-S3573 PolarHBondContact O-N 3.01Å; S3571-S3573 VanDerWaalsContact O-N 3.15Å
3572	Y	27.6	Very low	28.6	Very low	230 Å²	230	133.8 Å²	133.8	90%	0.902	77%	0.77	S	S	*	*			trans	14.2	123.5	148.5	-72.6	-85	0	0	0	112.5
3573	S	28.5	Very low	28.5	Very low	112.25 Å²	112.25	131.2 Å²	131.2	79%	0.785	77%	0.77	S	S	*	*				-178.5	117.3	105.8	-148.8	0	0	0	0	111.1	S3571	S3571-S3573 PolarHBondContact O-N 3.01Å; S3571-S3573 VanDerWaalsContact O-N 3.15Å
3574	L	27.3	Very low	28.6	Very low	155.75 Å²	155.75	131 Å²	131	82%	0.815	77%	0.773	S	S	*	*			trans	-162.7	101.8	169.4	-152.3	70.6	0	0	0	112.7
3575	T	26.5	Very low	28.7	Very low	119.5 Å²	119.5	131.1 Å²	131.1	73%	0.733	77%	0.774	S	S	*	*				60.1	116.5	118.4	-40.8	0	0	0	0	115.8
3576	V	29.3	Very low	28.5	Very low	122.25 Å²	122.25	130.1 Å²	130.1	74%	0.741	77%	0.772	S	S	*	*			trans	146.1	118.3	153.3	-165.5	0	0	0	0	114.2
3577	N	29.6	Very low	28.4	Very low	139.5 Å²	139.5	129.7 Å²	129.7	75%	0.746	77%	0.77	S	S	*	*			trans	-179.8	129	134.7	-79.5	-35.8	0	0	0	113.6	S3579	N3577-S3579 PolarHBondContact O-N 3.42Å
3578	N	27.4	Very low	28.3	Very low	155.75 Å²	155.75	131.2 Å²	131.2	83%	0.833	77%	0.771	S	S	*	*			trans	-70.7	139.7	136.3	-90.4	-26	0	0	0	114.7
3579	S	25.8	Very low	28.3	Very low	95.5 Å²	95.5	132.9 Å²	132.9	67%	0.668	77%	0.774	S	S	*	*			trans	-70.7	157.5	165.4	52.5	0	0	0	0	114	N3577	N3577-S3579 PolarHBondContact O-N 3.42Å
3580	H	29.5	Very low	28.3	Very low	174.25 Å²	174.25	134 Å²	134	81%	0.807	77%	0.771	S	S	*	*			trans	104.1	115.7	171.6	-73.2	-82.3	0	0	0	114.7
3581	T	28.5	Very low	28.5	Very low	119.25 Å²	119.25	136.1 Å²	136.1	73%	0.732	77%	0.774	S	S	*	*				-90.4	128.5	68.8	23.9	0	0	0	0	114
3582	S	26.4	Very low	28.6	Very low	102.75 Å²	102.75	137.7 Å²	137.7	72%	0.719	78%	0.775	S	S	*	*				77.3	111.5	101.6	64.2	0	0	0	0	112.5
3583	V	29.8	Very low	28.8	Very low	139 Å²	139	134 Å²	134	84%	0.842	77%	0.771	S	S	*	*				-154.7	122.3	105.1	178	0	0	0	0	108.4
3584	A	28.8	Very low	28.8	Very low	91.5 Å²	91.5	135.7 Å²	135.7	76%	0.756	77%	0.771	S	S	*	*			trans	-151.5	86.3	143.5	0	0	0	0	0	112.7
3585	T	31.3	Very low	29	Very low	143 Å²	143	136.3 Å²	136.3	88%	0.877	77%	0.774	S	S	*	*			trans	-169.9	132.3	160.6	12.9	0	0	0	0	108.3
3586	G	25.9	Very low	29.1	Very low	65 Å²	65	137.8 Å²	137.8	67%	0.67	78%	0.777	S	S	*	*			cis	168.5	116.1	-0.9	0	0	0	0	0	111.6
3587	N	27.6	Very low	29.1	Very low	143.75 Å²	143.75	137.5 Å²	137.5	77%	0.769	78%	0.78	S	S	*	*			trans	122.2	124.4	146.3	-91.4	-5.4	0	0	0	115.5
3588	F	30.5	Very low	29.1	Very low	181.75 Å²	181.75	136.5 Å²	136.5	80%	0.797	78%	0.779	S	S	*	*				29.9	134.9	129.4	-70.7	-77.6	0	0	0	118
3589	H	28.9	Very low	29.3	Very low	183.5 Å²	183.5	134.7 Å²	134.7	85%	0.85	77%	0.773	S	S	*	*			trans	-73.2	128.4	136.2	-78.9	48.4	0	0	0	110.1
3590	N	29.6	Very low	29.5	Very low	137.75 Å²	137.75	138.3 Å²	138.3	74%	0.737	78%	0.779	S	S	*	*				-152	136.8	92.4	-165.7	3.6	0	0	0	110
3591	N	30.8	Very low	29.4	Very low	145.25 Å²	145.25	135.6 Å²	135.6	78%	0.777	78%	0.775	S	S	*	*			trans	-124.9	121.2	163.8	-122.2	-15.6	0	0	0	109.2	N3593	N3591-N3593 PolarHBondContact O-N 3.24Å
3592	N	32	Very low	29.5	Very low	134.5 Å²	134.5	139.8 Å²	139.8	72%	0.719	78%	0.783	S	S	*	*			trans	-88.8	125.2	151.1	-74.8	-38.3	0	0	0	113.5
3593	N	30.7	Very low	29.5	Very low	152.5 Å²	152.5	142.6 Å²	142.6	82%	0.816	79%	0.79	S	S	*	*			trans	-119.2	115.3	154.5	-70.7	-29.7	0	0	0	112.6	N3591 L3595	N3591-N3593 PolarHBondContact O-N 3.24Å; N3593-L3595 PolarHBondContact O-N 3.13Å
3594	N	29.3	Very low	29.4	Very low	147.75 Å²	147.75	140.6 Å²	140.6	79%	0.79	78%	0.783	S	S	*	*			trans	-97	115.2	159.1	-108.5	-26.1	0	0	0	111.5
3595	L	30.6	Very low	29.5	Very low	167.75 Å²	167.75	141.8 Å²	141.8	88%	0.878	78%	0.781	S	S	*	*			trans	-119.6	107	153.4	-92.5	163.4	0	0	0	111	N3593 S3597	N3593-L3595 PolarHBondContact O-N 3.13Å; L3595-S3597 PolarHBondContact O-N 2.99Å
3596	L	28.9	Very low	29.6	Very low	151.5 Å²	151.5	141.3 Å²	141.3	79%	0.793	78%	0.777	S	S	*	*			trans	-67.5	130	166.8	-88.1	77.4	0	0	0	109.3	V3598	L3596-V3598 HydrophobicContact CD2-CG2 4.41Å
3597	S	29.9	Very low	29.8	Very low	115.5 Å²	115.5	145 Å²	145	81%	0.808	78%	0.782	S	S	*	*			trans	-137.6	112.8	153.9	-173	0	0	0	0	109.6	L3595 V3599	L3595-S3597 PolarHBondContact O-N 2.99Å; S3597-V3599 PolarHBondContact O-N 3.34Å
3598	V	29.3	Very low	30.1	Very low	119.25 Å²	119.25	147.1 Å²	147.1	72%	0.723	78%	0.784	S	S	*	*			trans	-99.3	120.6	-177.4	176.6	0	0	0	0	107.7	L3596	L3596-V3598 HydrophobicContact CD2-CG2 4.41Å
3599	V	30.9	Very low	30.2	Very low	117.75 Å²	117.75	145.5 Å²	145.5	71%	0.714	78%	0.782	S	S	*	*			trans	-127.4	128.7	136.3	-176.5	0	0	0	0	109.6	S3597 T3601	S3597-V3599 PolarHBondContact O-N 3.34Å; V3599-T3601 PolarHBondContact O-N 3Å; V3599-T3601 VanDerWaalsContact O-N 3.16Å
3600	H	30.2	Very low	30.3	Very low	171 Å²	171	143.8 Å²	143.8	79%	0.792	78%	0.779	S	S	*	*			trans	-110.1	105.8	163.6	-75.8	-73.5	0	0	0	115.4
3601	T	28.4	Very low	30.7	Very low	118 Å²	118	142.8 Å²	142.8	72%	0.724	78%	0.78	S	S	*	*			trans	-48.4	110.4	150.7	1.8	0	0	0	0	114.1	V3599 N3603	V3599-T3601 PolarHBondContact O-N 3Å; V3599-T3601 VanDerWaalsContact O-N 3.16Å; T3601-N3603 PolarHBondContact O-N 3.21Å
3602	K	29.3	Very low	30.8	Very low	206 Å²	206	143.2 Å²	143.2	90%	0.896	78%	0.781	S	S	*	*			trans	-128.8	116.6	151.6	-83.3	177.3	179.7	178.8	0	108.5
3603	N	27.9	Very low	30.7	Very low	161.667 Å²	161.667	147 Å²	147	87%	0.865	79%	0.787	S	S	*	*			trans	-89.4	128.5	147.4	-90.7	-21.5	0	0	0	112.9	T3601	T3601-N3603 PolarHBondContact O-N 3.21Å
3604	S	26.9	Very low	30.7	Very low	98.3333 Å²	98.3333	146.2 Å²	146.2	69%	0.688	78%	0.782	S	S	*	*			trans	-95.7	137	162.3	-167.6	0	0	0	0	112.7
3605	T	30.7	Very low	30.7	Very low	116.667 Å²	116.667	149.7 Å²	149.7	72%	0.716	78%	0.784	S	S	*	*				71.1	123	123.1	50.5	0	0	0	0	117.6
3606	V	33.9	Very low	30.8	Very low	132.667 Å²	132.667	146.7 Å²	146.7	80%	0.804	78%	0.777	S	S	*	*				177.6	121.6	129.5	167.5	0	0	0	0	112.6
3607	N	29.9	Very low	30.9	Very low	142 Å²	142	145.5 Å²	145.5	76%	0.759	77%	0.772	S	S	*	*			trans	-99	145	175.5	-91.3	-32.5	0	0	0	110.2
3608	K	33.7	Very low	31.2	Very low	188.333 Å²	188.333	146.1 Å²	146.1	82%	0.819	77%	0.766	S	S	*	*			trans	-152.6	120.4	146.1	-82.4	-175.9	174.5	-178.4	0	112.8
3609	I	32.7	Very low	31.3	Very low	148.333 Å²	148.333	147.1 Å²	147.1	76%	0.761	77%	0.767	S	S	*	*			trans	67.4	114.4	137.7	-65	167.7	0	0	0	113.7
3610	D	31.4	Very low	31.5	Very low	146.667 Å²	146.667	150.4 Å²	150.4	78%	0.784	78%	0.775	S	S	*	*			trans	-40.1	158.4	146.7	-54	-57.8	0	0	0	114.3
3611	P	37.7	Very low	31.5	Very low	117 Å²	117	146.9 Å²	146.9	76%	0.76	77%	0.77	S	S	*	*				-141.1	153.1	53.9	38.3	-21.4	0	0	0	116.6
3612	I	31.7	Very low	31.8	Very low	153.333 Å²	153.333	148.6 Å²	148.6	79%	0.786	77%	0.773	S	S	*	*			trans	-49.7	133	156.9	-61.5	163.7	0	0	0	112.8
3613	Y	31.2	Very low	32	Very low	215.333 Å²	215.333	144.3 Å²	144.3	84%	0.844	76%	0.764	S	S	*	*			trans	-124.3	140.1	149.8	-119.4	-95.9	0	0	0	112.4
3614	N	30.5	Very low	32.3	Very low	135 Å²	135	142.4 Å²	142.4	72%	0.722	75%	0.754	S	S	*	*			trans	-58.4	129	171.7	-78	-46.3	0	0	0	115.4
3615	R	29.7	Very low	32.6	Very low	222 Å²	222	145.2 Å²	145.2	84%	0.838	75%	0.753	S	S	*	*				56.6	105.2	120.2	-163.1	-177.3	-156.8	-179.8	7.1	114.8
3616	S	32.8	Very low	32.8	Very low	104 Å²	104	146.2 Å²	146.2	73%	0.727	75%	0.754	S	S	*	*			trans	-135.9	135.3	149.5	-175.1	0	0	0	0	109.2
3617	N	30.8	Very low	32.7	Very low	127.667 Å²	127.667	148.1 Å²	148.1	68%	0.683	75%	0.754	S	S	*	*			trans	162.4	122.8	139.8	-75	-7.1	0	0	0	109.4
3618	N	35.3	Very low	32.7	Very low	128 Å²	128	146.5 Å²	146.5	68%	0.684	75%	0.749	S	S	*	*				106.1	127.7	108.5	-88.9	31.3	0	0	0	114.2
3619	D	32.7	Very low	32.5	Very low	140 Å²	140	144.1 Å²	144.1	75%	0.749	75%	0.745	S	S	*	*				61.1	108.1	124.8	-52.9	-31.8	0	0	0	117.5
3620	E	35.2	Very low	32.4	Very low	187 Å²	187	146.1 Å²	146.1	87%	0.874	75%	0.749	S	S	*	*				153.4	124.6	110.4	-135.1	178.5	-162.1	0	0	112.6
3621	S	29.5	Very low	32.3	Very low	97 Å²	97	144.3 Å²	144.3	68%	0.678	75%	0.747	S	S	*	*				63.2	121.8	129.3	171.4	0	0	0	0	118.9
3622	I	35	Very low	31.9	Very low	154 Å²	154	147.6 Å²	147.6	79%	0.79	75%	0.75	S	S	*	*			trans	-154.8	127.3	148.6	-71.3	145.6	0	0	0	112.3
3623	T	31.8	Very low	31.8	Very low	115.333 Å²	115.333	147.5 Å²	147.5	71%	0.708	75%	0.751	S	S	*	*			trans	-120.2	123.5	152.7	33.2	0	0	0	0	114.3
3624	D	35.4	Very low	31.7	Very low	122.333 Å²	122.333	146.3 Å²	146.3	65%	0.654	75%	0.753	S	S	*	*				166.7	133.1	127.9	-93.4	-17.3	0	0	0	116.5
3625	K	33.7	Very low	31.7	Very low	157 Å²	157	144.6 Å²	144.6	68%	0.683	75%	0.752	S	S	*	*				87.1	129.1	78.8	-87.6	-178.9	-168.9	115.9	0	113.9
3626	N	33.5	Very low	31.6	Very low	137.333 Å²	137.333	140.7 Å²	140.7	73%	0.734	75%	0.748	S	S	*	*			trans	72.6	131.7	147.4	-52.7	-22.8	0	0	0	117.1
3627	H	32.3	Very low	31.3	Very low	172.667 Å²	172.667	141.7 Å²	141.7	80%	0.799	75%	0.75	S	S	*	*			cis	-158.6	137.1	26.1	-135.1	-102.3	0	0	0	110.2
3628	V	31.1	Very low	31.3	Very low	108.333 Å²	108.333	142 Å²	142	66%	0.657	76%	0.756	S	S	*	*			trans	41.3	115.8	150.2	-176.6	0	0	0	0	115.9	F3630	V3628-F3630 HydrophobicContact CG1-CD2 4.14Å; V3628-F3630 HydrophobicContact CG1-CE2 4.48Å
3629	N	29.4	Very low	31.1	Very low	138 Å²	138	141.4 Å²	141.4	74%	0.738	76%	0.762	S	S	*	*				-158.6	149.7	116.7	-106.1	-32.8	0	0	0	114.5
3630	F	30.5	Very low	31.1	Very low	190.333 Å²	190.333	142.4 Å²	142.4	84%	0.835	77%	0.767	S	S	*	*			trans	-167.7	125	151.8	-76.4	-71.6	0	0	0	113.9	V3628	V3628-F3630 HydrophobicContact CG1-CD2 4.14Å; V3628-F3630 HydrophobicContact CG1-CE2 4.48Å
3631	S	29.1	Very low	31	Very low	107.667 Å²	107.667	138.7 Å²	138.7	75%	0.753	76%	0.762	S	S	*	*				117	136.9	121	76.3	0	0	0	0	116.4
3632	K	29.6	Very low	31	Very low	186.667 Å²	186.667	141.9 Å²	141.9	81%	0.812	77%	0.772	S	S	*	*			trans	100.6	117.9	175.6	-100.8	174.2	177.8	176	0	114.3
3633	N	28	Very low	30.8	Very low	151.333 Å²	151.333	139.6 Å²	139.6	81%	0.809	77%	0.769	S	S	*	*				55.4	114.8	92.6	-69.7	-1.9	0	0	0	116
3634	Q	30	Very low	30.8	Very low	190.333 Å²	190.333	142.7 Å²	142.7	89%	0.889	78%	0.775	S	S	*	*			trans	-173.2	120.9	148.3	-109.4	171.6	12.3	0	0	110.9
3635	S	29.6	Very low	30.8	Very low	98.6667 Å²	98.6667	143.4 Å²	143.4	69%	0.69	78%	0.779	S	S	*	*				159.9	129.1	129.1	58.7	0	0	0	0	111.5
3636	N	27.3	Very low	30.8	Very low	141 Å²	141	144.3 Å²	144.3	75%	0.754	79%	0.786	S	S	*	*				75.1	111.9	129.4	-65.2	6.1	0	0	0	116.3
3637	T	28	Very low	30.8	Very low	125.667 Å²	125.667	145.6 Å²	145.6	77%	0.771	79%	0.792	S	S	*	*				79.1	100.4	124.3	51.9	0	0	0	0	115.5
3638	T	29.7	Very low	30.8	Very low	133.667 Å²	133.667	144.8 Å²	144.8	82%	0.82	79%	0.793	S	S	*	*			trans	-148.4	106.1	132.3	38.8	0	0	0	0	110.5
3639	S	30.9	Very low	30.7	Very low	114.667 Å²	114.667	145.1 Å²	145.1	80%	0.802	80%	0.799	S	S	*	*			trans	-148.6	87.8	167.1	-69.1	0	0	0	0	108.6	S3641	S3639-S3641 PolarHBondContact O-N 3.48Å
3640	D	32.6	Very low	30.8	Very low	160.667 Å²	160.667	144.8 Å²	144.8	86%	0.859	80%	0.802	S	S	*	*			trans	-129.3	93.4	159.4	-76.3	-39.4	0	0	0	112.1	N3642	D3640-N3642 PolarHBondContact O-N 3.25Å
3641	S	33	Very low	30.9	Very low	109 Å²	109	143.1 Å²	143.1	76%	0.762	80%	0.8	S	S	*	*			trans	-124.1	100.8	167.3	60.8	0	0	0	0	113.9	S3639 S3643	S3639-S3641 PolarHBondContact O-N 3.48Å; S3641-S3643 PolarHBondContact O-N 2.89Å
3642	N	31.5	Very low	31	Very low	165.333 Å²	165.333	145 Å²	145	88%	0.884	80%	0.801	S	S	*	*			trans	-55.5	109.1	144.9	-86.7	-18.9	0	0	0	113.6	D3640	D3640-N3642 PolarHBondContact O-N 3.25Å
3643	S	30.4	Very low	31.2	Very low	105 Å²	105	144.6 Å²	144.6	73%	0.734	80%	0.804	S	S	*	*			trans	-105	123.1	159.6	55.4	0	0	0	0	111	S3641	S3641-S3643 PolarHBondContact O-N 2.89Å
3644	H	31.7	Very low	31.4	Very low	180.333 Å²	180.333	146.3 Å²	146.3	84%	0.835	81%	0.807	S	S	*	*			trans	-134.4	121.5	149.6	-120.5	-63.8	0	0	0	112.6	Q3646	H3644-Q3646 PolarHBondContact O-N 3.37Å; H3644-Q3646 VanDerWaalsContact O-N 3.11Å
3645	D	35.8	Very low	31.4	Very low	138.333 Å²	138.333	145.4 Å²	145.4	74%	0.74	80%	0.803	S	S	*	*			trans	-33.1	102.9	161.8	-62.9	-46	0	0	0	114.7
3646	Q	32.6	Very low	31.7	Very low	175.667 Å²	175.667	146.9 Å²	146.9	82%	0.821	80%	0.803	S	S	*	*			trans	-172.4	82.1	143.9	-103.8	-178.3	27	0	0	113	H3644 N3648	H3644-Q3646 PolarHBondContact O-N 3.37Å; H3644-Q3646 VanDerWaalsContact O-N 3.11Å; Q3646-N3648 PolarHBondContact O-N 2.95Å; Q3646-N3648 VanDerWaalsContact O-N 3.11Å
3647	L	34.2	Very low	31.9	Very low	164.667 Å²	164.667	149 Å²	149	86%	0.862	81%	0.805	S	S	*	*			trans	-73.8	94.2	158.9	-66.8	173.2	0	0	0	112	C3649	L3647-C3649 PolarHBondContact O-N 3.37Å
3648	N	32.8	Very low	32	Very low	155.333 Å²	155.333	149.4 Å²	149.4	83%	0.831	80%	0.803	S	S	*	*			trans	-88	108.6	160	-120.3	-15.4	0	0	0	108.9	Q3646 T3650	Q3646-N3648 PolarHBondContact O-N 2.95Å; Q3646-N3648 VanDerWaalsContact O-N 3.11Å; N3648-T3650 PolarHBondContact O-N 2.94Å; N3648-T3650 VanDerWaalsContact O-N 3.11Å
3649	C	28.4	Very low	32.1	Very low	114.667 Å²	114.667	151.7 Å²	151.7	78%	0.775	80%	0.804	S	S	*	*			trans	-82.3	104.3	177.5	-70.1	0	0	0	0	110.7	L3647 I3651	L3647-C3649 PolarHBondContact O-N 3.37Å; C3649-I3651 PolarHBondContact O-N 2.93Å
3650	T	30.9	Very low	32	Very low	131.333 Å²	131.333	153.9 Å²	153.9	81%	0.806	80%	0.802	S	S	*	*			trans	-73.7	127.4	168.7	-59.4	0	0	0	0	109.3	N3648 I3652	N3648-T3650 PolarHBondContact O-N 2.94Å; N3648-T3650 VanDerWaalsContact O-N 3.11Å; T3650-I3652 PolarHBondContact O-N 3.2Å; T3650-I3652 VanDerWaalsContact O-N 3.16Å
3651	I	32.5	Very low	31.9	Very low	155.667 Å²	155.667	154.7 Å²	154.7	80%	0.798	80%	0.8	S	S	*	*			trans	-72.5	124.2	-178	-62.8	172.1	0	0	0	109.7	C3649 M3653	C3649-I3651 PolarHBondContact O-N 2.93Å; I3651-M3653 PolarHBondContact O-N 3.4Å
3652	I	32.3	Very low	31.8	Very low	148 Å²	148	158.2 Å²	158.2	76%	0.759	81%	0.805	S	S	*	*			trans	-70.6	123.4	177.3	-62	166.5	0	0	0	108.9	T3650 E3654	T3650-I3652 PolarHBondContact O-N 3.2Å; T3650-I3652 VanDerWaalsContact O-N 3.16Å; I3652-E3654 PolarHBondContact O-N 3.11Å; I3652-E3654 VanDerWaalsContact O-N 3.1Å
3653	M	33.9	Very low	31.7	Very low	177.667 Å²	177.667	155.5 Å²	155.5	88%	0.875	80%	0.798	S	S	*	*			trans	-88.1	121.3	165.2	-65.4	-162.2	-62.5	0	0	108.9	I3651 Q3655	I3651-M3653 PolarHBondContact O-N 3.4Å; M3653-Q3655 PolarHBondContact O-N 3.39Å
3654	E	32.1	Very low	31.8	Very low	187 Å²	187	155.1 Å²	155.1	87%	0.874	80%	0.802	S	S	*	*			trans	-89.4	131.4	-179.9	-117.5	171.4	176.3	0	0	111.2	I3652	I3652-E3654 PolarHBondContact O-N 3.11Å; I3652-E3654 VanDerWaalsContact O-N 3.1Å
3655	Q	29.9	Very low	31.8	Very low	171.667 Å²	171.667	152.3 Å²	152.3	80%	0.802	80%	0.797	S	S	*	*			trans	-92.2	134.5	177.3	-143.5	170.6	-18.4	0	0	108.2	M3653	M3653-Q3655 PolarHBondContact O-N 3.39Å
3656	D	35.2	Very low	31.7	Very low	130.333 Å²	130.333	149.9 Å²	149.9	70%	0.697	80%	0.797	S	S	*	*			trans	154.9	115.8	149.2	-80.8	-32.6	0	0	0	115.4
3657	F	32	Very low	31.8	Very low	184.333 Å²	184.333	148 Å²	148	81%	0.808	79%	0.792	S	S	*	*			trans	36.9	119.5	131.7	-91.2	-89.2	0	0	0	117.7
3658	N	30.2	Very low	31.7	Very low	135 Å²	135	147 Å²	147	72%	0.722	79%	0.787	S	S	*	*				-129.6	127.5	127.3	-82.9	-61.9	0	0	0	115.1
3659	Q	31	Very low	31.7	Very low	181 Å²	181	146.3 Å²	146.3	85%	0.846	78%	0.778	S	S	*	*			trans	-130.7	123.2	141.7	-93.3	171.6	71.3	0	0	109.9
3660	H	28.7	Very low	31.7	Very low	160.333 Å²	160.333	151.2 Å²	151.2	74%	0.742	78%	0.78	S	S	*	*				-171.4	111.3	76.2	-153	76	0	0	0	110.3
3661	Q	30	Very low	31.7	Very low	179 Å²	179	150.3 Å²	150.3	84%	0.836	78%	0.775	S	S	*	*			trans	172.5	111.1	156.6	-78.4	-174.8	69.4	0	0	112.4
3662	Q	31	Very low	31.7	Very low	181.333 Å²	181.333	148.7 Å²	148.7	85%	0.847	77%	0.772	S	S	*	*			trans	-107.7	133.8	146.2	-71.2	174.1	0.4	0	0	111.4	A3664	Q3662-A3664 PolarHBondContact O-N 3.47Å
3663	S	29.2	Very low	31.6	Very low	108 Å²	108	146.6 Å²	146.6	76%	0.755	77%	0.771	S	S	*	*			trans	-113.2	94.1	150.6	-175	0	0	0	0	112.8	V3665	S3663-V3665 PolarHBondContact O-N 3.31Å; S3663-V3665 WeakPolarHBondContact OG-CG2 3.43Å
3664	A	32.6	Very low	31.6	Very low	97 Å²	97	144.4 Å²	144.4	80%	0.802	76%	0.761	S	S	*	*			trans	-95.1	87.7	158.4	0	0	0	0	0	109.1	Q3662 A3666	Q3662-A3664 PolarHBondContact O-N 3.47Å; A3664-A3666 PolarHBondContact O-N 2.97Å
3665	V	32.8	Very low	31.6	Very low	121.333 Å²	121.333	139.5 Å²	139.5	74%	0.735	75%	0.753	S	S	*	*			trans	-82.5	98.8	164.5	-179.8	0	0	0	0	107.3	S3663 N3667	S3663-V3665 PolarHBondContact O-N 3.31Å; S3663-V3665 WeakPolarHBondContact OG-CG2 3.43Å; V3665-N3667 VanDerWaalsContact C-N 3.26Å; V3665-N3667 PolarHBondContact O-N 2.87Å
3666	A	34	Very low	31.7	Very low	89 Å²	89	137.3 Å²	137.3	74%	0.736	75%	0.746	S	S	*	*			trans	-64.8	104.1	174.6	0	0	0	0	0	109.7	A3664 L3668	A3664-A3666 PolarHBondContact O-N 2.97Å; A3666-L3668 PolarHBondContact O-N 3.14Å; A3666-L3668 VanDerWaalsContact O-N 3.12Å
3667	N	33.9	Very low	31.5	Very low	135 Å²	135	136 Å²	136	72%	0.722	75%	0.747	S	S	*	*			trans	-63.9	102.5	162.6	-80.9	-23.4	0	0	0	107.8	V3665 H3669	V3665-N3667 VanDerWaalsContact C-N 3.26Å; V3665-N3667 PolarHBondContact O-N 2.87Å; N3667-H3669 PolarHBondContact O-N 3.01Å
3668	L	32.2	Very low	31.4	Very low	143 Å²	143	135.1 Å²	135.1	75%	0.749	75%	0.745	S	S	*	*			trans	-67.9	83.3	176	-172.3	71.1	0	0	0	109.2	A3666 R3670	A3666-L3668 PolarHBondContact O-N 3.14Å; A3666-L3668 VanDerWaalsContact O-N 3.12Å; L3668-R3670 VanDerWaalsContact C-N 3.31Å; L3668-R3670 HydrophobicContact CD2-CG 3.84Å; L3668-R3670 HydrophobicContact CG-CG 4.04Å; L3668-R3670 PolarHBondContact O-N 3.14Å
3669	H	32.2	Very low	31.4	Very low	141.333 Å²	141.333	135 Å²	135	65%	0.654	75%	0.75	S	S	*	*			trans	-60.2	101.6	160.5	-77.4	-148.6	0	0	0	106.6	N3667 T3671	N3667-H3669 PolarHBondContact O-N 3.01Å; H3669-T3671 PolarHBondContact O-N 3.19Å
3670	R	29.2	Very low	31.5	Very low	217 Å²	217	132 Å²	132	82%	0.819	75%	0.749	S	S	*	*			trans	-69.3	81.9	161.4	-75.2	-172.2	179.1	-167.8	0.9	107.2	L3668 V3672	L3668-R3670 VanDerWaalsContact C-N 3.31Å; L3668-R3670 HydrophobicContact CD2-CG 3.84Å; L3668-R3670 HydrophobicContact CG-CG 4.04Å; L3668-R3670 PolarHBondContact O-N 3.14Å; R3670-V3672 VanDerWaalsContact C-N 3.29Å; R3670-V3672 PolarHBondContact O-N 3.36Å
3671	T	31.3	Very low	31.5	Very low	114.333 Å²	114.333	128.2 Å²	128.2	70%	0.701	75%	0.753	S	S	*	*			trans	-62	100.5	153.7	36.9	0	0	0	0	106.6	H3669 S3673	H3669-T3671 PolarHBondContact O-N 3.19Å; T3671-S3673 VanDerWaalsContact C-N 3.3Å; T3671-S3673 PolarHBondContact O-N 2.9Å
3672	V	32.3	Very low	31.4	Very low	120.333 Å²	120.333	123 Å²	123	73%	0.729	75%	0.748	S	S	*	*			trans	-63.6	98.5	164.9	-179	0	0	0	0	105.1	R3670 I3674	R3670-V3672 VanDerWaalsContact C-N 3.29Å; R3670-V3672 PolarHBondContact O-N 3.36Å; V3672-I3674 VanDerWaalsContact C-N 3.35Å; V3672-I3674 HydrophobicContact CG1-CG1 4.06Å; V3672-I3674 PolarHBondContact O-N 3.11Å; V3672-I3674 VanDerWaalsContact O-N 3.09Å
3673	S	30.7	Very low	31.3	Very low	105.333 Å²	105.333	125.1 Å²	125.1	74%	0.737	75%	0.748	S	S	*	*			trans	-69.4	86.9	169.8	-59.8	0	0	0	0	107	T3671 A3675	T3671-S3673 VanDerWaalsContact C-N 3.3Å; T3671-S3673 PolarHBondContact O-N 2.9Å; S3673-A3675 VanDerWaalsContact C-N 3.32Å; S3673-A3675 PolarHBondContact O-N 3.07Å; S3673-A3675 VanDerWaalsContact O-N 3.1Å
3674	I	33.5	Very low	31.6	Very low	130.333 Å²	130.333	125.1 Å²	125.1	67%	0.668	75%	0.748	S	S	*	*			trans	-64.8	98.1	158.9	-58.3	178.9	0	0	0	104.4	V3672 D3676	V3672-I3674 VanDerWaalsContact C-N 3.35Å; V3672-I3674 HydrophobicContact CG1-CG1 4.06Å; V3672-I3674 PolarHBondContact O-N 3.11Å; V3672-I3674 VanDerWaalsContact O-N 3.09Å; I3674-D3676 VanDerWaalsContact C-N 3.26Å; I3674-D3676 PolarHBondContact O-N 2.95Å
3675	A	31.9	Very low	31.7	Very low	84.6667 Å²	84.6667	128.6 Å²	128.6	70%	0.7	75%	0.748	S	S	*	*			trans	-69.6	93.3	171.8	0	0	0	0	0	106.7	S3673 S3677	S3673-A3675 VanDerWaalsContact C-N 3.32Å; S3673-A3675 PolarHBondContact O-N 3.07Å; S3673-A3675 VanDerWaalsContact O-N 3.1Å; A3675-S3677 VanDerWaalsContact C-N 3.27Å; A3675-S3677 PolarHBondContact O-N 2.92Å; A3675-S3677 PolarHBondContact O-OG 3.28Å; A3675-S3677 VanDerWaalsContact O-OG 3.07Å
3676	D	32.3	Very low	31.9	Very low	124.333 Å²	124.333	132.4 Å²	132.4	67%	0.665	75%	0.75	S	S	*	*			trans	-64.6	88.9	167.4	-78.4	-34.8	0	0	0	108.9	I3674 H3678	I3674-D3676 VanDerWaalsContact C-N 3.26Å; I3674-D3676 PolarHBondContact O-N 2.95Å; D3676-H3678 VanDerWaalsContact C-N 3.32Å; D3676-H3678 PolarHBondContact O-CE1 2.97Å; D3676-H3678 PolarHBondContact O-N 3.08Å; D3676-H3678 PolarHBondContact O-ND1 2.86Å; D3676-H3678 PolarHBondContact O-NE2 3.21Å; D3676-H3678 IonicContact OD1-CE1 3.41Å; D3676-H3678 PolarHBondContact OD1-CE1 3.17Å
3677	S	29.6	Very low	32.2	Very low	103 Å²	103	135.1 Å²	135.1	72%	0.72	75%	0.752	S	S	*	*			trans	-63.4	90.8	171.7	43.7	0	0	0	0	109.5	A3675 T3679	A3675-S3677 VanDerWaalsContact C-N 3.27Å; A3675-S3677 PolarHBondContact O-N 2.92Å; A3675-S3677 PolarHBondContact O-OG 3.28Å; A3675-S3677 VanDerWaalsContact O-OG 3.07Å; S3677-T3679 VanDerWaalsContact C-N 3.3Å; S3677-T3679 PolarHBondContact O-N 3.12Å
3678	H	31.6	Very low	32.4	Very low	165.667 Å²	165.667	135.1 Å²	135.1	77%	0.767	75%	0.752	S	S	*	*			trans	-55.6	98.7	167.3	-42.2	-58.5	0	0	0	109.4	D3676 S3680	D3676-H3678 VanDerWaalsContact C-N 3.32Å; D3676-H3678 PolarHBondContact O-CE1 2.97Å; D3676-H3678 PolarHBondContact O-N 3.08Å; D3676-H3678 PolarHBondContact O-ND1 2.86Å; D3676-H3678 PolarHBondContact O-NE2 3.21Å; D3676-H3678 IonicContact OD1-CE1 3.41Å; D3676-H3678 PolarHBondContact OD1-CE1 3.17Å; H3678-S3680 PolarHBondContact O-N 3.45Å
3679	T	30.5	Very low	32.7	Very low	134 Å²	134	134 Å²	134	82%	0.822	75%	0.751	S	S	*	*			trans	-112.9	111.2	147.8	39.6	0	0	0	0	109.1	S3677 G3681	S3677-T3679 VanDerWaalsContact C-N 3.3Å; S3677-T3679 PolarHBondContact O-N 3.12Å; T3679-G3681 PolarHBondContact O-N 3.05Å
3680	S	31.7	Very low	33	Very low	118.333 Å²	118.333	134.2 Å²	134.2	83%	0.828	76%	0.757	S	S	*	*			trans	-32	126.6	166.5	58.4	0	0	0	0	112.5	H3678 G3682	H3678-S3680 PolarHBondContact O-N 3.45Å; S3680-G3682 PolarHBondContact O-N 2.76Å; S3680-G3682 VanDerWaalsContact O-N 3.09Å
3681	G	28.5	Very low	33.3	Very low	80.3333 Å²	80.3333	133.6 Å²	133.6	83%	0.828	76%	0.76	S	S	*	*			trans	-168.2	89.1	173.3	0	0	0	0	0	112.5	T3679	T3679-G3681 PolarHBondContact O-N 3.05Å
3682	G	29.1	Very low	33.4	Very low	70 Å²	70	132.6 Å²	132.6	72%	0.722	76%	0.758	S	S	*	*			trans	-152.2	80.9	163.5	0	0	0	0	0	114.5	S3680 S3684	S3680-G3682 PolarHBondContact O-N 2.76Å; S3680-G3682 VanDerWaalsContact O-N 3.09Å; G3682-S3684 PolarHBondContact O-N 2.9Å; G3682-S3684 VanDerWaalsContact O-N 3.16Å
3683	R	28.2	Very low	33.2	Very low	224 Å²	224	130.2 Å²	130.2	85%	0.845	76%	0.758	S	S	*	*			trans	6.3	96.8	158.1	-59.6	171.4	81	-152.2	2.3	113.8	E3685	R3683-E3685 IonicContact CZ-OE1 3.69Å; R3683-E3685 IonicContact CZ-OE2 3.55Å; R3683-E3685 IonicContact NH1-OE1 3.6Å; R3683-E3685 IonicContact NH1-OE2 2.75Å; R3683-E3685 PolarHBondContact NH1-OE2 2.96Å; R3683-E3685 IonicContact NH2-OE1 2.9Å; R3683-E3685 PolarHBondContact NH2-OE1 2.67Å; R3683-E3685 IonicContact NH2-OE2 3.53Å; R3683-E3685 PolarHBondContact O-N 3.08Å
3684	S	36.1	Very low	33.1	Very low	108.333 Å²	108.333	134 Å²	134	76%	0.758	76%	0.762	S	S	*	*			trans	-72.2	93.1	155	-53.6	0	0	0	0	108.2	G3682 Y3686	G3682-S3684 PolarHBondContact O-N 2.9Å; G3682-S3684 VanDerWaalsContact O-N 3.16Å; S3684-Y3686 VanDerWaalsContact C-N 3.35Å; S3684-Y3686 VanDerWaalsContact O-CD2 3.3Å; S3684-Y3686 WeakPolarHBondContact O-CD2 3.47Å; S3684-Y3686 PolarHBondContact O-N 3.16Å
3685	E	34.8	Very low	33	Very low	170.667 Å²	170.667	136.3 Å²	136.3	80%	0.798	77%	0.769	S	S	*	*			trans	-66.1	116.9	167.6	-167.9	151.8	-142.5	0	0	107.3	R3683 D3687	R3683-E3685 IonicContact CZ-OE1 3.69Å; R3683-E3685 IonicContact CZ-OE2 3.55Å; R3683-E3685 IonicContact NH1-OE1 3.6Å; R3683-E3685 IonicContact NH1-OE2 2.75Å; R3683-E3685 PolarHBondContact NH1-OE2 2.96Å; R3683-E3685 IonicContact NH2-OE1 2.9Å; R3683-E3685 PolarHBondContact NH2-OE1 2.67Å; R3683-E3685 IonicContact NH2-OE2 3.53Å; R3683-E3685 PolarHBondContact O-N 3.08Å; E3685-D3687 PolarHBondContact O-N 3.02Å; E3685-D3687 VanDerWaalsContact O-N 3.17Å
3686	Y	36.1	Very low	33	Very low	202.333 Å²	202.333	137.7 Å²	137.7	79%	0.793	77%	0.769	S	S	*	*			trans	-68.6	120.2	-174.5	-77.6	-102.3	0	0	0	109.3	S3684 N3688	S3684-Y3686 VanDerWaalsContact C-N 3.35Å; S3684-Y3686 VanDerWaalsContact O-CD2 3.3Å; S3684-Y3686 WeakPolarHBondContact O-CD2 3.47Å; S3684-Y3686 PolarHBondContact O-N 3.16Å; Y3686-N3688 VanDerWaalsContact C-N 3.33Å; Y3686-N3688 PolarHBondContact O-N 3.33Å; Y3686-N3688 PolarHBondContact O-ND2 3.07Å
3687	D	41.2	Very low	33.2	Very low	144.333 Å²	144.333	140 Å²	140	77%	0.772	78%	0.776	S	S	*	*			trans	-79.8	90.1	166.2	-167.3	14.2	0	0	0	109	E3685 V3689	E3685-D3687 PolarHBondContact O-N 3.02Å; E3685-D3687 VanDerWaalsContact O-N 3.17Å; D3687-V3689 VanDerWaalsContact C-N 3.29Å; D3687-V3689 PolarHBondContact O-N 2.87Å; D3687-V3689 WeakPolarHBondContact OD1-CG2 3.39Å
3688	N	36.9	Very low	33.2	Very low	136 Å²	136	141.6 Å²	141.6	73%	0.727	78%	0.777	S	S	*	*			trans	-84.7	87.1	172.7	-79.8	-54.8	0	0	0	107.5	Y3686 D3690	Y3686-N3688 VanDerWaalsContact C-N 3.33Å; Y3686-N3688 PolarHBondContact O-N 3.33Å; Y3686-N3688 PolarHBondContact O-ND2 3.07Å; N3688-D3690 VanDerWaalsContact C-N 3.29Å; N3688-D3690 PolarHBondContact O-N 2.91Å
3689	V	38.8	Very low	33	Very low	118.333 Å²	118.333	140.6 Å²	140.6	72%	0.717	78%	0.777	S	S	*	*			trans	-65.2	103.4	172.1	-178.6	0	0	0	0	108.8	D3687 K3691	D3687-V3689 VanDerWaalsContact C-N 3.29Å; D3687-V3689 PolarHBondContact O-N 2.87Å; D3687-V3689 WeakPolarHBondContact OD1-CG2 3.39Å; V3689-K3691 PolarHBondContact O-N 3.27Å
3690	D	39.2	Very low	33.1	Very low	146.333 Å²	146.333	139.5 Å²	139.5	78%	0.783	78%	0.775	S	S	*	*			trans	-55	103.9	176.7	-79.7	-44.9	0	0	0	110.6	N3688 S3692	N3688-D3690 VanDerWaalsContact C-N 3.29Å; N3688-D3690 PolarHBondContact O-N 2.91Å; D3690-S3692 PolarHBondContact O-N 3.21Å
3691	K	35.5	Very low	32.9	Very low	204.667 Å²	204.667	141.8 Å²	141.8	89%	0.89	78%	0.777	S	S	*	*			trans	-71.5	84.5	161.9	-80.8	-173.4	176	180	0	108.6	V3689 G3693	V3689-K3691 PolarHBondContact O-N 3.27Å; K3691-G3693 VanDerWaalsContact C-N 3.3Å; K3691-G3693 PolarHBondContact O-N 3.33Å
3692	S	33.2	Very low	33.1	Very low	92.6667 Å²	92.6667	145.3 Å²	145.3	65%	0.648	78%	0.776	S	S	*	*			trans	-47.1	102.6	166.3	51.5	0	0	0	0	111.5	D3690 F3694	D3690-S3692 PolarHBondContact O-N 3.21Å; S3692-F3694 WeakPolarHBondContact O-CD2 3.38Å; S3692-F3694 PolarHBondContact O-N 3.37Å; S3692-F3694 VanDerWaalsContact O-N 3.09Å
3693	G	27.3	Very low	33	Very low	70.6667 Å²	70.6667	153.2 Å²	153.2	73%	0.729	78%	0.784	S	S	*	*			trans	-69.5	113.8	170.5	0	0	0	0	0	111.1	K3691 Q3695	K3691-G3693 VanDerWaalsContact C-N 3.3Å; K3691-G3693 PolarHBondContact O-N 3.33Å; G3693-Q3695 PolarHBondContact O-N 3.45Å
3694	F	29.7	Very low	33.1	Very low	186 Å²	186	148.9 Å²	148.9	82%	0.816	78%	0.783	S	S	*	*			trans	-90.9	123.6	165	-80.3	-91.2	0	0	0	109.5	S3692	S3692-F3694 WeakPolarHBondContact O-CD2 3.38Å; S3692-F3694 PolarHBondContact O-N 3.37Å; S3692-F3694 VanDerWaalsContact O-N 3.09Å
3695	Q	30.5	Very low	32.9	Very low	177.333 Å²	177.333	149 Å²	149	83%	0.829	78%	0.783	S	S	*	*			trans	-95.6	116.2	154.5	-68.2	-157.6	-38	0	0	112.8	G3693 E3697	G3693-Q3695 PolarHBondContact O-N 3.45Å; Q3695-E3697 PolarHBondContact O-N 3.25Å; Q3695-E3697 VanDerWaalsContact O-N 3.11Å
3696	T	31.5	Very low	32.7	Very low	114.333 Å²	114.333	150.8 Å²	150.8	70%	0.701	78%	0.784	S	S	*	*			trans	-68.1	98.6	172.1	-45.9	0	0	0	0	111	N3698	T3696-N3698 VanDerWaalsContact C-N 3.31Å; T3696-N3698 HydrophobicContact CG2-CB 4.02Å; T3696-N3698 PolarHBondContact O-N 3.07Å
3697	E	36.9	Very low	32.5	Very low	173 Å²	173	148.4 Å²	148.4	81%	0.808	79%	0.785	S	S	*	*			trans	-88.1	76.7	165.6	-70.1	-163.1	176.6	0	0	110.6	Q3695 N3699	Q3695-E3697 PolarHBondContact O-N 3.25Å; Q3695-E3697 VanDerWaalsContact O-N 3.11Å; E3697-N3699 VanDerWaalsContact C-N 3.3Å; E3697-N3699 PolarHBondContact O-N 3.24Å
3698	N	29.6	Very low	32	Very low	136.333 Å²	136.333	151.7 Å²	151.7	73%	0.729	79%	0.788	S	S	*	*			trans	-70.7	98.4	160.2	-82.4	-36.5	0	0	0	108.8	T3696 S3700	T3696-N3698 VanDerWaalsContact C-N 3.31Å; T3696-N3698 HydrophobicContact CG2-CB 4.02Å; T3696-N3698 PolarHBondContact O-N 3.07Å; N3698-S3700 PolarHBondContact O-N 2.86Å
3699	N	28.8	Very low	31.7	Very low	144 Å²	144	152.2 Å²	152.2	77%	0.77	79%	0.786	S	S	*	*			trans	-133.4	117.6	152.4	-88.3	-46	0	0	0	111.6	E3697 L3701	E3697-N3699 VanDerWaalsContact C-N 3.3Å; E3697-N3699 PolarHBondContact O-N 3.24Å; N3699-L3701 VanDerWaalsContact C-N 3.34Å; N3699-L3701 PolarHBondContact O-N 3.46Å
3700	S	30.7	Very low	31.3	Very low	112.333 Å²	112.333	152.2 Å²	152.2	79%	0.786	78%	0.782	S	S	*	*			trans	-112.7	87.4	164.3	-56.6	0	0	0	0	113.3	N3698 L3702	N3698-S3700 PolarHBondContact O-N 2.86Å; S3700-L3702 VanDerWaalsContact C-N 3.35Å; S3700-L3702 PolarHBondContact O-N 2.96Å; S3700-L3702 VanDerWaalsContact O-N 3.13Å
3701	L	29.4	Very low	30.8	Very low	165.667 Å²	165.667	153.3 Å²	153.3	87%	0.867	78%	0.783	S	S	*	*			trans	-38.8	93.7	154.2	-76	162.9	0	0	0	113.6	N3699	N3699-L3701 VanDerWaalsContact C-N 3.34Å; N3699-L3701 PolarHBondContact O-N 3.46Å
3702	L	31.1	Very low	30.6	Very low	153.333 Å²	153.333	150.9 Å²	150.9	80%	0.803	78%	0.779	S	S	*	*			trans	-125	104.4	143	-74.4	178.3	0	0	0	112.7	S3700	S3700-L3702 VanDerWaalsContact C-N 3.35Å; S3700-L3702 PolarHBondContact O-N 2.96Å; S3700-L3702 VanDerWaalsContact O-N 3.13Å
3703	R	27.7	Very low	30.5	Very low	236.333 Å²	236.333	154.3 Å²	154.3	89%	0.892	78%	0.784	S	S	*	*			trans	-179.9	88.4	150.7	-91.5	174.5	177	-109.5	-0.2	113.4	S3705	R3703-S3705 PolarHBondContact O-N 3.18Å
3704	T	29.8	Very low	30.7	Very low	134 Å²	134	157.5 Å²	157.5	82%	0.822	78%	0.784	S	S	*	*			trans	-93	112.5	147	47.9	0	0	0	0	108.2
3705	S	31.8	Very low	30.6	Very low	110 Å²	110	154 Å²	154	77%	0.769	78%	0.778	S	S	*	*			trans	-144.3	135.4	158.5	-166.7	0	0	0	0	109.3	R3703	R3703-S3705 PolarHBondContact O-N 3.18Å
3706	Y	30.5	Very low	30.4	Very low	209.333 Å²	209.333	151.4 Å²	151.4	82%	0.821	77%	0.77	S	S	*	*			trans	-77.4	149.4	-177.7	-67.1	-96	0	0	0	111.8
3707	D	32.4	Very low	30.3	Very low	151 Å²	151	155.7 Å²	155.7	81%	0.807	78%	0.775	S	S	*	*			trans	-95.7	150.9	143.3	-83.5	-48.5	0	0	0	112.5
3708	Y	31.3	Very low	29.8	Very low	213 Å²	213	151.9 Å²	151.9	84%	0.835	77%	0.767	S	S	*	*			trans	-131.3	138.1	161.7	-102.8	-89.9	0	0	0	113.4
3709	H	30.4	Very low	29.8	Very low	147 Å²	147	153.2 Å²	153.2	68%	0.681	77%	0.773	S	S	*	*			trans	1.7	141.4	161.3	-82.4	-83	0	0	0	118
3710	D	29.8	Very low	29.9	Very low	119.667 Å²	119.667	153.1 Å²	153.1	64%	0.64	77%	0.772	S	S	*	*				84.1	127.3	104	-79.1	-32.6	0	0	0	118.5
3711	Q	28.6	Very low	29.6	Very low	169.333 Å²	169.333	158.1 Å²	158.1	79%	0.791	78%	0.776	S	S	*	*			trans	86.2	135.8	140.7	-77.2	157.1	68.1	0	0	116.4
3712	L	32.2	Very low	29.5	Very low	154 Å²	154	157.2 Å²	157.2	81%	0.806	77%	0.772	S	S	*	*				99.4	105.7	118.3	-68.3	169.6	0	0	0	112.5
3713	E	29.8	Very low	29.3	Very low	163.667 Å²	163.667	155.2 Å²	155.2	77%	0.765	77%	0.765	S	S	*	*				172	126.9	114.7	-84.4	-163.4	160.3	0	0	109.8
3714	L	31.4	Very low	29.3	Very low	137.667 Å²	137.667	149.9 Å²	149.9	72%	0.721	76%	0.759	S	S	*	*				93.8	131.5	123.9	-83.2	83.2	0	0	0	116.8
3715	T	28.4	Very low	29.2	Very low	113.333 Å²	113.333	149.3 Å²	149.3	70%	0.695	76%	0.756	S	S	*	*				48.4	126.9	110.2	60.3	0	0	0	0	116.9
3716	N	27.3	Very low	29	Very low	122 Å²	122	151.1 Å²	151.1	65%	0.652	76%	0.757	S	S	*	*				-144.5	159.2	73.4	-90.9	-34	0	0	0	110.1
3717	Y	28.8	Very low	29	Very low	205.667 Å²	205.667	149.7 Å²	149.7	81%	0.807	76%	0.758	S	S	*	*				155.4	136.4	98.8	-87.7	-45.9	0	0	0	112.2
3718	S	27	Very low	28.8	Very low	92.3333 Å²	92.3333	149.9 Å²	149.9	65%	0.646	75%	0.754	S	S	*	*				-176.7	133.2	75.7	-84.1	0	0	0	0	112.2
3719	L	29.2	Very low	28.6	Very low	163 Å²	163	146.7 Å²	146.7	85%	0.853	75%	0.75	S	S	*	*			trans	171.3	142	136.2	-78.1	165.2	0	0	0	112.6
3720	N	29.8	Very low	28.5	Very low	142.667 Å²	142.667	147.2 Å²	147.2	76%	0.763	76%	0.756	S	S	*	*			trans	-84.7	147.1	-178.8	-99.6	-30.7	0	0	0	113.6
3721	Y	24.8	Very low	28.2	Very low	217 Å²	217	146.9 Å²	146.9	85%	0.851	76%	0.763	S	S	*	*			trans	-97.2	152	156.2	-80.7	-95.8	0	0	0	110.5
3722	N	28.4	Very low	28.2	Very low	146.667 Å²	146.667	143.4 Å²	143.4	78%	0.784	76%	0.764	S	S	*	*				-173	128.6	101.6	-136.9	4.9	0	0	0	109.3
3723	V	25.3	Very low	27.9	Very low	110.667 Å²	110.667	141.6 Å²	141.6	67%	0.671	76%	0.764	S	S	*	*			trans	82	132.8	138.6	171.4	0	0	0	0	114.5
3724	T	27.5	Very low	28	Very low	125 Å²	125	139.6 Å²	139.6	77%	0.767	77%	0.765	S	S	*	*			trans	146.5	118.6	144	26.1	0	0	0	0	114.4
3725	T	29.3	Very low	27.8	Very low	121.667 Å²	121.667	138.2 Å²	138.2	75%	0.746	77%	0.767	S	S	*	*				170.9	122.6	128.1	46.9	0	0	0	0	111.6
3726	N	26.4	Very low	27.8	Very low	147.667 Å²	147.667	138 Å²	138	79%	0.79	77%	0.77	S	S	*	*				97.8	138.3	116.5	-79.8	-2.2	0	0	0	114.3
3727	E	30.8	Very low	27.9	Very low	181 Å²	181	137.6 Å²	137.6	85%	0.846	78%	0.777	S	S	*	*			trans	-170.5	157.5	153.6	-58.4	-144.3	145.9	0	0	115.5
3728	H	28.7	Very low	28	Very low	155.333 Å²	155.333	133.2 Å²	133.2	72%	0.719	77%	0.774	S	S	*	*			trans	78.3	137.3	168.2	-119	-88.9	0	0	0	115.9
3729	L	26.9	Very low	28.3	Very low	145.333 Å²	145.333	134.6 Å²	134.6	76%	0.761	78%	0.781	S	S	*	*			trans	75.5	103.4	131.3	-58.9	162.7	0	0	0	117.9
3730	I	27.4	Very low	28.6	Very low	156.667 Å²	156.667	132.5 Å²	132.5	80%	0.803	78%	0.777	S	S	*	*				134.9	109.5	120	-71.3	164	0	0	0	110.6
3731	S	24.6	Very low	28.7	Very low	113.333 Å²	113.333	131 Å²	131	79%	0.793	78%	0.775	S	S	*	*			trans	169.8	124.7	133.6	97.2	0	0	0	0	112.3
3732	A	28.4	Very low	28.7	Very low	96.6667 Å²	96.6667	128.2 Å²	128.2	80%	0.799	77%	0.773	S	S	*	*			trans	-154.7	127.6	142.9	0	0	0	0	0	109.5
3733	S	26.2	Very low	28.8	Very low	116.333 Å²	116.333	126.6 Å²	126.6	81%	0.814	77%	0.773	S	S	*	*			trans	-74	170.3	174.6	-54	0	0	0	0	113
3734	P	32.3	Very low	28.9	Very low	122 Å²	122	128.4 Å²	128.4	79%	0.792	78%	0.779	S	S	*	*			trans	-125.7	149.1	-164.2	36.5	-24	0	0	0	113.7
3735	S	27.4	Very low	28.8	Very low	108.333 Å²	108.333	130 Å²	130	76%	0.758	78%	0.782	S	S	*	*			trans	-123.3	119.3	156.9	63.6	0	0	0	0	116.3
3736	S	28.4	Very low	28.7	Very low	108 Å²	108	130 Å²	130	76%	0.755	79%	0.787	S	S	*	*				92.4	128.4	124.7	55.6	0	0	0	0	118.2
3737	S	28.4	Very low	28.8	Very low	114 Å²	114	128.8 Å²	128.8	80%	0.797	79%	0.785	S	S	*	*			trans	120.9	159	145.7	63.1	0	0	0	0	116.3
3738	P	31	Very low	28.7	Very low	113.667 Å²	113.667	126.4 Å²	126.4	74%	0.738	78%	0.783	S	S	*	*				-112.4	171.9	-117.8	24.6	-7.1	0	0	0	114.4
3739	P	33.4	Very low	28.6	Very low	122.333 Å²	122.333	125.2 Å²	125.2	79%	0.794	79%	0.786	S	S	*	*			trans	-90.1	163	176.6	37.2	-34.8	0	0	0	113.2
3740	P	34.7	Very low	28.6	Very low	118 Å²	118	125.2 Å²	125.2	77%	0.766	79%	0.785	S	S	*	*				-128.2	177.2	122.3	41.8	-28.6	0	0	0	112.1
3741	P	33.6	Very low	28.6	Very low	112 Å²	112	125.8 Å²	125.8	73%	0.727	79%	0.785	S	S	*	*				-125.6	161.9	-110.5	37.5	-23.4	0	0	0	116
3742	I	24.3	Very low	28.8	Very low	157.333 Å²	157.333	129.6 Å²	129.6	81%	0.807	79%	0.787	S	S	*	*			trans	-1.6	120	152.2	-50.4	165.2	0	0	0	116.7
3743	S	30.3	Very low	28.9	Very low	113 Å²	113	132.3 Å²	132.3	79%	0.79	79%	0.787	S	S	*	*			trans	-148.1	125.5	146.1	38.6	0	0	0	0	112.1
3744	N	28.3	Very low	28.9	Very low	148.333 Å²	148.333	133.8 Å²	133.8	79%	0.793	79%	0.786	S	S	*	*			trans	-42.7	141.9	171.8	-63.8	-26.8	0	0	0	116.9
3745	L	24.7	Very low	28.7	Very low	159 Å²	159	133.1 Å²	133.1	83%	0.832	79%	0.785	S	S	*	*			trans	-81.1	131.8	166.1	-89.7	85.3	0	0	0	113.4
3746	S	27.5	Very low	28.6	Very low	121 Å²	121	133.5 Å²	133.5	85%	0.846	79%	0.787	S	S	*	*			trans	-138.8	85.2	159.7	-69	0	0	0	0	111.2
3747	T	27.5	Very low	28.6	Very low	122.667 Å²	122.667	136.4 Å²	136.4	75%	0.753	79%	0.793	S	S	*	*			trans	-115.6	117.8	165.5	34.9	0	0	0	0	108.3	V3749	T3747-V3749 PolarHBondContact O-N 3.33Å
3748	T	29.2	Very low	28.5	Very low	132 Å²	132	136.6 Å²	136.6	81%	0.81	79%	0.794	S	S	*	*			trans	-52.8	117.5	140.5	55.6	0	0	0	0	110.9	I3750	T3748-I3750 PolarHBondContact O-N 3.36Å
3749	V	26.8	Very low	28.2	Very low	129.333 Å²	129.333	140.2 Å²	140.2	78%	0.784	80%	0.795	S	S	*	*			trans	-104.2	150.7	134	-176.9	0	0	0	0	108.4	T3747	T3747-V3749 PolarHBondContact O-N 3.33Å
3750	I	27.4	Very low	27.9	Very low	144.333 Å²	144.333	140.2 Å²	140.2	74%	0.74	79%	0.792	S	S	*	*			trans	123.4	105.9	165.2	-54.6	175.5	0	0	0	112	T3748	T3748-I3750 PolarHBondContact O-N 3.36Å
3751	E	27.4	Very low	27.6	Very low	169.333 Å²	169.333	141.8 Å²	141.8	79%	0.791	79%	0.79	S	S	*	*				-104.1	127.4	112.1	-79.9	165.4	158.2	0	0	113.1	L3753	E3751-L3753 PolarHBondContact O-N 2.93Å
3752	K	27.8	Very low	27.2	Very low	194 Å²	194	141 Å²	141	84%	0.843	79%	0.787	S	S	*	*			trans	-85.6	106.6	150.1	-168	173.8	-175.8	177	0	112.1
3753	L	29.5	Very low	27.4	Very low	153.333 Å²	153.333	141.7 Å²	141.7	80%	0.803	79%	0.789	S	S	*	*			trans	-94.7	125.6	171.7	-70.2	171	0	0	0	111.1	E3751	E3751-L3753 PolarHBondContact O-N 2.93Å
3754	N	27.6	Very low	27.4	Very low	148 Å²	148	144.8 Å²	144.8	79%	0.791	79%	0.788	S	S	*	*			trans	-108.3	110.8	157.2	-76.9	-22.9	0	0	0	108.4
3755	S	26.9	Very low	27.3	Very low	108 Å²	108	143 Å²	143	76%	0.755	79%	0.787	S	S	*	*			trans	-155.7	95.2	136.9	64.8	0	0	0	0	111.6	L3757	S3755-L3757 PolarHBondContact O-N 2.81Å
3756	S	25.3	Very low	27.5	Very low	115.333 Å²	115.333	142.6 Å²	142.6	81%	0.807	79%	0.785	S	S	*	*			trans	-64	124.2	161.6	46	0	0	0	0	110.5
3757	L	29.3	Very low	27.5	Very low	168.667 Å²	168.667	141.6 Å²	141.6	88%	0.883	78%	0.778	S	S	*	*			trans	-151.9	112.8	158.1	-145.2	74.5	0	0	0	111.4	S3755	S3755-L3757 PolarHBondContact O-N 2.81Å
3758	S	26.3	Very low	27.7	Very low	118 Å²	118	142.3 Å²	142.3	83%	0.825	78%	0.777	S	S	*	*			trans	-72.8	128.1	171.1	-46.8	0	0	0	0	109.9
3759	Y	24.9	Very low	27.7	Very low	189.667 Å²	189.667	144.7 Å²	144.7	74%	0.744	78%	0.776	S	S	*	*			trans	-139.1	120.2	158.1	-158.5	-101.6	0	0	0	111.2	Q3761	Y3759-Q3761 HydrophobicContact CD1-CB 4.32Å; Y3759-Q3761 HydrophobicContact CE1-CB 3.94Å; Y3759-Q3761 PolarHBondContact OH-OE1 2.83Å
3760	T	26.1	Very low	27.9	Very low	122.333 Å²	122.333	144.9 Å²	144.9	75%	0.751	77%	0.772	S	S	*	*			trans	-85.4	128.7	174.3	46.7	0	0	0	0	110.3
3761	Q	27.8	Very low	28	Very low	151.667 Å²	151.667	144.6 Å²	144.6	71%	0.709	77%	0.771	S	S	*	*			trans	-163.1	131.5	149.4	-154.4	171.7	38.7	0	0	112.6	Y3759	Y3759-Q3761 HydrophobicContact CD1-CB 4.32Å; Y3759-Q3761 HydrophobicContact CE1-CB 3.94Å; Y3759-Q3761 PolarHBondContact OH-OE1 2.83Å
3762	S	27.2	Very low	28.1	Very low	96.6667 Å²	96.6667	143.5 Å²	143.5	68%	0.676	77%	0.771	S	S	*	*			trans	52.2	133.9	163.8	76.7	0	0	0	0	115.2
3763	M	27.5	Very low	28.2	Very low	172 Å²	172	140.3 Å²	140.3	85%	0.847	77%	0.768	S	S	*	*			trans	-124.5	141.7	138.5	-83.6	-72.5	-178.6	0	0	109.5
3764	K	30.3	Very low	28	Very low	178 Å²	178	139.9 Å²	139.9	77%	0.774	77%	0.766	S	S	*	*			trans	-126.9	142.2	170.6	-64.5	165.3	-179.7	171.8	0	111.8
3765	S	25.7	Very low	28.1	Very low	108.667 Å²	108.667	140.7 Å²	140.7	76%	0.76	77%	0.771	S	S	*	*				-146.2	145.6	120.6	-165.7	0	0	0	0	115
3766	L	29.7	Very low	28.1	Very low	152.333 Å²	152.333	138.7 Å²	138.7	80%	0.798	77%	0.767	S	S	*	*			trans	58.4	116.8	167.1	-83.5	116	0	0	0	113.6	N3768	L3766-N3768 PolarHBondContact O-N 2.8Å; L3766-N3768 VanDerWaalsContact O-N 3.1Å
3767	S	27.4	Very low	28.2	Very low	98.3333 Å²	98.3333	142.6 Å²	142.6	69%	0.688	77%	0.773	S	S	*	*				-143.2	127.7	66.2	-177.3	0	0	0	0	108.3
3768	N	31.9	Very low	28.1	Very low	137.667 Å²	137.667	140 Å²	140	74%	0.736	77%	0.768	S	S	*	*			trans	88.8	109.8	135.6	-77.4	-9.7	0	0	0	112.7	L3766	L3766-N3768 PolarHBondContact O-N 2.8Å; L3766-N3768 VanDerWaalsContact O-N 3.1Å
3769	K	29.1	Very low	28.2	Very low	182.333 Å²	182.333	145.6 Å²	145.6	79%	0.793	77%	0.771	S	S	*	*			trans	-103.6	151.7	133.6	-112	176.6	176.4	-177.5	0	110.5
3770	I	30	Very low	28.4	Very low	135 Å²	135	145.6 Å²	145.6	69%	0.692	78%	0.778	S	S	*	*			trans	103.6	108.3	151.6	-65.5	165.7	0	0	0	113.8
3771	N	29.7	Very low	28.5	Very low	136.333 Å²	136.333	142.9 Å²	142.9	73%	0.729	78%	0.775	S	S	*	*			trans	-162	114.3	134	-77.5	-20.9	0	0	0	113.1
3772	D	29.1	Very low	28.6	Very low	146.333 Å²	146.333	142.7 Å²	142.7	78%	0.783	78%	0.779	S	S	*	*			trans	-94.1	122	135.4	-65.2	-41.7	0	0	0	113.3
3773	T	31.3	Very low	28.7	Very low	127.333 Å²	127.333	145.3 Å²	145.3	78%	0.781	79%	0.785	S	S	*	*			trans	-119.5	134.6	155.8	35.6	0	0	0	0	112.1	N3775	T3773-N3775 PolarHBondContact O-N 2.78Å
3774	N	24.9	Very low	28.7	Very low	144.333 Å²	144.333	144.5 Å²	144.5	77%	0.772	78%	0.784	S	S	*	*			trans	-50.3	129.5	170.2	-67.2	-44.1	0	0	0	114.6
3775	N	29.5	Very low	28.7	Very low	165.333 Å²	165.333	142.1 Å²	142.1	88%	0.884	78%	0.784	S	S	*	*			trans	156.3	128.3	141.3	-80.5	-30.4	0	0	0	111.6	T3773	T3773-N3775 PolarHBondContact O-N 2.78Å
3776	G	27.6	Very low	28.8	Very low	66.6667 Å²	66.6667	147.1 Å²	147.1	69%	0.687	79%	0.792	S	S	*	*			trans	-157.3	121.5	156.5	0	0	0	0	0	110.8	S3778	G3776-S3778 PolarHBondContact O-N 3.46Å
3777	H	26.9	Very low	28.7	Very low	197.333 Å²	197.333	145.1 Å²	145.1	91%	0.914	79%	0.791	S	S	*	*			trans	-116.3	114.6	167.1	-73.9	-40.7	0	0	0	112.1
3778	S	26.3	Very low	28.9	Very low	112.667 Å²	112.667	145.4 Å²	145.4	79%	0.788	79%	0.793	S	S	*	*			trans	-108.4	134.8	144.8	62.5	0	0	0	0	110.2	G3776	G3776-S3778 PolarHBondContact O-N 3.46Å
3779	R	28.4	Very low	28.6	Very low	236.667 Å²	236.667	149.9 Å²	149.9	89%	0.893	80%	0.8	S	S	*	*			trans	-110.7	127.9	165.9	-82.2	170.5	176.8	-167.2	-2.3	110.1	G3781	R3779-G3781 PolarHBondContact O-N 3.09Å
3780	Q	29.3	Very low	28.9	Very low	189.333 Å²	189.333	147.7 Å²	147.7	89%	0.885	80%	0.795	S	S	*	*			trans	-54.8	114.3	145.1	-84.4	164.3	-34.4	0	0	111.8	N3782	Q3780-N3782 VanDerWaalsContact C-N 3.34Å; Q3780-N3782 PolarHBondContact O-N 2.9Å
3781	G	28.2	Very low	29	Very low	65.6667 Å²	65.6667	146.9 Å²	146.9	68%	0.677	80%	0.799	S	S	*	*			trans	-100.4	110	168.8	0	0	0	0	0	110.1	R3779 N3783	R3779-G3781 PolarHBondContact O-N 3.09Å; G3781-N3783 PolarHBondContact O-N 3.23Å; G3781-N3783 VanDerWaalsContact O-N 3.15Å
3782	N	30.7	Very low	29	Very low	148.667 Å²	148.667	147 Å²	147	80%	0.795	80%	0.798	S	S	*	*			trans	-93	103.2	165.7	-91.9	-19.1	0	0	0	109.8	Q3780 N3784	Q3780-N3782 VanDerWaalsContact C-N 3.34Å; Q3780-N3782 PolarHBondContact O-N 2.9Å; N3782-N3784 VanDerWaalsContact C-N 3.29Å; N3782-N3784 PolarHBondContact O-N 3Å
3783	N	29.9	Very low	29	Very low	150 Å²	150	144.9 Å²	144.9	80%	0.802	80%	0.796	S	S	*	*			trans	-74.9	91.5	173.3	-67.8	-23.1	0	0	0	109.8	G3781 T3785	G3781-N3783 PolarHBondContact O-N 3.23Å; G3781-N3783 VanDerWaalsContact O-N 3.15Å; N3783-T3785 VanDerWaalsContact C-N 3.27Å; N3783-T3785 PolarHBondContact O-N 3.01Å
3784	N	27.4	Very low	29.1	Very low	155.333 Å²	155.333	147.1 Å²	147.1	83%	0.831	80%	0.795	S	S	*	*			trans	-125.6	62.3	161.9	-89.9	-25.6	0	0	0	111.2	N3782	N3782-N3784 VanDerWaalsContact C-N 3.29Å; N3782-N3784 PolarHBondContact O-N 3Å
3785	T	29.3	Very low	29.5	Very low	127.333 Å²	127.333	146.1 Å²	146.1	78%	0.781	79%	0.794	S	S	*	*			trans	-112.8	103.9	166.2	29.8	0	0	0	0	110	N3783 S3787	N3783-T3785 VanDerWaalsContact C-N 3.27Å; N3783-T3785 PolarHBondContact O-N 3.01Å; T3785-S3787 VanDerWaalsContact C-N 3.28Å; T3785-S3787 PolarHBondContact O-N 3.03Å
3786	K	28	Very low	29.7	Very low	214.333 Å²	214.333	146.1 Å²	146.1	93%	0.932	79%	0.788	S	S	*	*			trans	-57.3	91.5	166.2	-66.9	173.1	177.5	177.9	0	109	S3788	K3786-S3788 PolarHBondContact O-N 3.15Å
3787	S	27.9	Very low	30.2	Very low	110.333 Å²	110.333	149.8 Å²	149.8	77%	0.772	79%	0.788	S	S	*	*			trans	-81.1	104.6	171.1	-171.9	0	0	0	0	108.5	T3785 R3789	T3785-S3787 VanDerWaalsContact C-N 3.28Å; T3785-S3787 PolarHBondContact O-N 3.03Å; S3787-R3789 VanDerWaalsContact C-N 3.28Å; S3787-R3789 PolarHBondContact O-N 2.94Å
3788	S	31.1	Very low	30.7	Very low	104 Å²	104	149.3 Å²	149.3	73%	0.727	78%	0.783	S	S	*	*			trans	-59.6	95	169	51	0	0	0	0	109.4	K3786 I3790	K3786-S3788 PolarHBondContact O-N 3.15Å; S3788-I3790 VanDerWaalsContact C-N 3.34Å; S3788-I3790 PolarHBondContact O-N 2.9Å
3789	R	26.2	Very low	31.5	Very low	233.333 Å²	233.333	147 Å²	147	88%	0.881	77%	0.767	S	S	*	*			trans	-69.8	99.2	171.6	-172.4	175.8	-98.5	164.3	-5.9	107.3	S3787	S3787-R3789 VanDerWaalsContact C-N 3.28Å; S3787-R3789 PolarHBondContact O-N 2.94Å
3790	I	35.5	Very low	32.5	Very low	135 Å²	135	141.1 Å²	141.1	69%	0.692	75%	0.753	S	S	*	*			trans	-51	131.2	172.8	-63.7	168.3	0	0	0	107.7	S3788 L3792	S3788-I3790 VanDerWaalsContact C-N 3.34Å; S3788-I3790 PolarHBondContact O-N 2.9Å; I3790-L3792 PolarHBondContact O-N 3.01Å; I3790-L3792 VanDerWaalsContact O-N 3.09Å
3791	P	32.8	Very low	33.6	Very low	118.333 Å²	118.333	139 Å²	139	77%	0.768	74%	0.743	S	S	*	*			trans	-61.6	112.1	176.9	24.4	-32.2	0	0	0	108.9	S3793	P3791-S3793 PolarHBondContact O-N 3.08Å; P3791-S3793 VanDerWaalsContact O-N 3.1Å
3792	L	29.6	Very low	34.8	Very low	137.667 Å²	137.667	141.2 Å²	141.2	72%	0.721	74%	0.739	S	S	*	*			trans	-64.7	109.8	170.7	-76.9	161.8	0	0	0	107.5	I3790 F3794	I3790-L3792 PolarHBondContact O-N 3.01Å; I3790-L3792 VanDerWaalsContact O-N 3.09Å; L3792-F3794 VanDerWaalsContact C-N 3.28Å; L3792-F3794 HydrophobicContact CB-CD2 4.08Å; L3792-F3794 HydrophobicContact CB-CE2 4.14Å; L3792-F3794 HydrophobicContact CD1-CE2 4.19Å; L3792-F3794 WeakPolarHBondContact O-CD2 3.22Å; L3792-F3794 PolarHBondContact O-N 3.09Å
3793	S	28.8	Very low	35.8	Very low	104 Å²	104	138.6 Å²	138.6	73%	0.727	72%	0.722	S	S	*	*			trans	-64.9	92.1	169.9	51.5	0	0	0	0	108.9	P3791 T3795	P3791-S3793 PolarHBondContact O-N 3.08Å; P3791-S3793 VanDerWaalsContact O-N 3.1Å; S3793-T3795 VanDerWaalsContact C-N 3.26Å; S3793-T3795 PolarHBondContact O-N 3.08Å
3794	F	34.1	Very low	37.6	Very low	173.333 Å²	173.333	135.4 Å²	135.4	76%	0.76	71%	0.711	S	S	*	*			trans	-69.7	80.4	170.3	-84.8	-87.3	0	0	0	109.8	L3792 Q3796	L3792-F3794 VanDerWaalsContact C-N 3.28Å; L3792-F3794 HydrophobicContact CB-CD2 4.08Å; L3792-F3794 HydrophobicContact CB-CE2 4.14Å; L3792-F3794 HydrophobicContact CD1-CE2 4.19Å; L3792-F3794 WeakPolarHBondContact O-CD2 3.22Å; L3792-F3794 PolarHBondContact O-N 3.09Å; F3794-Q3796 PolarHBondContact O-N 3.21Å
3795	T	31.3	Very low	39.5	Very low	122 Å²	122	133.5 Å²	133.5	75%	0.748	70%	0.7	S	S	*	*			trans	-71.8	90	160.2	52.9	0	0	0	0	108.7	S3793	S3793-T3795 VanDerWaalsContact C-N 3.26Å; S3793-T3795 PolarHBondContact O-N 3.08Å
3796	Q	33.8	Very low	41.6	Very low	165.667 Å²	165.667	133.5 Å²	133.5	77%	0.774	69%	0.69	S	S	*	*			trans	173.9	85	178.4	-92.9	171.5	50.3	0	0	114.1	F3794	F3794-Q3796 PolarHBondContact O-N 3.21Å
3797	Q	38.3	Very low	44.3	Very low	145.333 Å²	145.333	128 Å²	128	68%	0.679	67%	0.671	S	S	*	*			trans	-172.5	83.3	152.8	-84.6	179.4	-10.7	0	0	112.7	S3799 L3800	Q3797-S3799 VanDerWaalsContact C-N 3.27Å; Q3797-S3799 PolarHBondContact O-N 3.4Å; Q3797-L3800 HydrophobicContact CG-CD1 4.2Å
3798	K	38.9	Very low	46.9	Very low	185.667 Å²	185.667	125.5 Å²	125.5	81%	0.807	66%	0.656	S	S	*	*	S	Bend	trans	-78.6	15.1	174.7	-80.1	-175.8	172.5	-174.5	0	114.1	N3802	K3798-N3802 PolarHBondContact O-ND2 3.06Å
3799	S	43	Very low	49.7	Very low	65 Å²	65	125.9 Å²	125.9	46%	0.455	65%	0.647	S	S	.	*	S	Bend	trans	-80.3	-41.7	173	52.8	0	0	0	0	112.4	Q3797 Q3801 N3802 H3803	Q3797-S3799 VanDerWaalsContact C-N 3.27Å; Q3797-S3799 PolarHBondContact O-N 3.4Å; S3799-Q3801 VanDerWaalsContact C-N 3.31Å; S3799-Q3801 PolarHBondContact O-N 2.9Å; S3799-Q3801 VanDerWaalsContact O-N 3.17Å; S3799-N3802 PolarHBondContact O-N 3.16Å; S3799-N3802 VanDerWaalsContact O-N 3.08Å; S3799-H3803 PolarHBondContact O-CE1 3.33Å; S3799-H3803 PolarHBondContact O-ND1 3.13Å; S3799-H3803 VanDerWaalsContact O-ND1 3.11Å; S3799-H3803 PolarHBondContact O-NE2 2.73Å
3800	L	48.7	Very low	52.8	Low	112.333 Å²	112.333	118.9 Å²	118.9	59%	0.588	63%	0.626	S	S	*	*	H	α-helix	trans	-61.6	-26.8	-171.6	-90.8	156.7	0	0	0	115.8	Q3797 N3802 H3803	Q3797-L3800 HydrophobicContact CG-CD1 4.2Å; L3800-N3802 VanDerWaalsContact C-N 3.32Å; L3800-N3802 PolarHBondContact O-N 3.34Å; L3800-H3803 VanDerWaalsContact CA-CD2 3.47Å; L3800-H3803 WeakPolarHBondContact CA-CD2 3.42Å; L3800-H3803 VanDerWaalsContact CA-NE2 3.33Å; L3800-H3803 WeakPolarHBondContact CA-NE2 3.29Å
3801	Q	52.6	Low	55.4	Low	146.5 Å²	146.5	114.1 Å²	114.1	69%	0.685	61%	0.606	S	S	*	*	H	α-helix	trans	-71.2	-27.3	175.7	-82.5	-179.2	-30.8	0	0	113.3	S3799 L3805	S3799-Q3801 VanDerWaalsContact C-N 3.31Å; S3799-Q3801 PolarHBondContact O-N 2.9Å; S3799-Q3801 VanDerWaalsContact O-N 3.17Å; Q3801-L3805 PolarHBondContact O-N 3.11Å
3802	N	52.3	Low	58.1	Low	112 Å²	112	110.9 Å²	110.9	60%	0.599	59%	0.59	S	S	*	*	H	α-helix	trans	-73.9	-32	-179.4	-67.8	-24.5	0	0	0	111.9	K3798 S3799 L3800 F3806	K3798-N3802 PolarHBondContact O-ND2 3.06Å; S3799-N3802 PolarHBondContact O-N 3.16Å; S3799-N3802 VanDerWaalsContact O-N 3.08Å; L3800-N3802 VanDerWaalsContact C-N 3.32Å; L3800-N3802 PolarHBondContact O-N 3.34Å; N3802-F3806 WeakPolarHBondContact O-CB 3.42Å; N3802-F3806 PolarHBondContact O-N 3.14Å; N3802-F3806 VanDerWaalsContact O-N 3.11Å
3803	H	53.3	Low	61.2	Low	93.5 Å²	93.5	109 Å²	109	43%	0.433	58%	0.577	S	S	.	*	H	α-helix	trans	-67.1	-45	176	-33.7	-42.2	0	0	0	110.7	S3799 L3800 L3805 F3806 D3807	S3799-H3803 PolarHBondContact O-CE1 3.33Å; S3799-H3803 PolarHBondContact O-ND1 3.13Å; S3799-H3803 VanDerWaalsContact O-ND1 3.11Å; S3799-H3803 PolarHBondContact O-NE2 2.73Å; L3800-H3803 VanDerWaalsContact CA-CD2 3.47Å; L3800-H3803 WeakPolarHBondContact CA-CD2 3.42Å; L3800-H3803 VanDerWaalsContact CA-NE2 3.33Å; L3800-H3803 WeakPolarHBondContact CA-NE2 3.29Å; H3803-L3805 VanDerWaalsContact C-N 3.3Å; H3803-L3805 PolarHBondContact O-N 3.09Å; H3803-F3806 PolarHBondContact O-N 2.91Å; H3803-F3806 VanDerWaalsContact O-N 3.14Å; H3803-D3807 PolarHBondContact O-N 3.11Å
3804	S	66	Low	64.3	Low	81.5 Å²	81.5	106.4 Å²	106.4	57%	0.57	56%	0.562	S	S	*	*	H	α-helix	trans	-60.4	-38	177.8	177	0	0	0	0	112.7	A3808	S3804-A3808 VanDerWaalsContact O-CB 3.27Å; S3804-A3808 WeakPolarHBondContact O-CB 3.35Å; S3804-A3808 PolarHBondContact O-N 2.84Å
3805	L	67	Low	67.2	Low	116 Å²	116	105.5 Å²	105.5	61%	0.607	55%	0.554	S	S	*	*	H	α-helix	trans	-71.9	-38	177	-151.8	154.3	0	0	0	111.5	Q3801 H3803 A3808 Q3809	Q3801-L3805 PolarHBondContact O-N 3.11Å; H3803-L3805 VanDerWaalsContact C-N 3.3Å; H3803-L3805 PolarHBondContact O-N 3.09Å; L3805-A3808 PolarHBondContact O-N 3.41Å; L3805-Q3809 WeakPolarHBondContact O-CB 3.42Å; L3805-Q3809 PolarHBondContact O-N 2.92Å
3806	F	74.4	Confident	70.1	Confident	128.5 Å²	128.5	105.6 Å²	105.6	56%	0.564	55%	0.546	S	S	*	.	H	α-helix	trans	-65.5	-45	174.8	-173.1	-109.4	0	0	0	112.3	N3802 H3803 A3808 Q3809 I3810	N3802-F3806 WeakPolarHBondContact O-CB 3.42Å; N3802-F3806 PolarHBondContact O-N 3.14Å; N3802-F3806 VanDerWaalsContact O-N 3.11Å; H3803-F3806 PolarHBondContact O-N 2.91Å; H3803-F3806 VanDerWaalsContact O-N 3.14Å; F3806-A3808 VanDerWaalsContact C-N 3.33Å; F3806-A3808 PolarHBondContact O-N 3.15Å; F3806-Q3809 CarbonylContact O-C 3.59Å; F3806-Q3809 WeakPolarHBondContact O-CB 3.48Å; F3806-Q3809 PolarHBondContact O-N 3.07Å; F3806-Q3809 VanDerWaalsContact O-N 3.15Å; F3806-I3810 HydrophobicContact CD1-CD1 3.61Å; F3806-I3810 HydrophobicContact CD1-CG1 4.44Å; F3806-I3810 HydrophobicContact CE1-CD1 3.3Å; F3806-I3810 HydrophobicContact CE1-CG1 4.28Å; F3806-I3810 HydrophobicContact CE2-CD1 4.49Å; F3806-I3810 HydrophobicContact CG-CD1 4.37Å; F3806-I3810 HydrophobicContact CZ-CD1 3.81Å; F3806-I3810 HydrophobicContact CZ-CG1 4.4Å; F3806-I3810 WeakPolarHBondContact O-CG1 3.35Å; F3806-I3810 PolarHBondContact O-N 2.92Å
3807	D	85.5	Confident	73	Confident	98.5 Å²	98.5	101.6 Å²	101.6	53%	0.527	53%	0.529	S	S	.	.	H	α-helix	trans	-63.9	-38.8	175.2	-69.9	-22.5	0	0	0	111.5	H3803 Q3809 I3810 A3811	H3803-D3807 PolarHBondContact O-N 3.11Å; D3807-Q3809 VanDerWaalsContact C-N 3.33Å; D3807-Q3809 PolarHBondContact O-N 2.91Å; D3807-I3810 PolarHBondContact O-N 2.88Å; D3807-A3811 VanDerWaalsContact O-CB 3.27Å; D3807-A3811 WeakPolarHBondContact O-CB 3.4Å; D3807-A3811 PolarHBondContact O-N 3.06Å
3808	A	82.1	Confident	75.4	Confident	57 Å²	57	97.4 Å²	97.4	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-64.2	-37.6	173.6	0	0	0	0	0	112.1	S3804 L3805 F3806 A3811 A3812	S3804-A3808 VanDerWaalsContact O-CB 3.27Å; S3804-A3808 WeakPolarHBondContact O-CB 3.35Å; S3804-A3808 PolarHBondContact O-N 2.84Å; L3805-A3808 PolarHBondContact O-N 3.41Å; F3806-A3808 VanDerWaalsContact C-N 3.33Å; F3806-A3808 PolarHBondContact O-N 3.15Å; A3808-A3811 PolarHBondContact O-N 3.49Å; A3808-A3812 WeakPolarHBondContact O-CB 3.43Å; A3808-A3812 PolarHBondContact O-N 3.41Å
3809	Q	90	Very high	77.9	Confident	113 Å²	113	97.3 Å²	97.3	53%	0.528	51%	0.51	S	S	.	.	H	α-helix	trans	-69.5	-44.3	176.1	-171.6	173.5	-6.7	0	0	111.6	L3805 F3806 D3807 A3811 A3812 E3813	L3805-Q3809 WeakPolarHBondContact O-CB 3.42Å; L3805-Q3809 PolarHBondContact O-N 2.92Å; F3806-Q3809 CarbonylContact O-C 3.59Å; F3806-Q3809 WeakPolarHBondContact O-CB 3.48Å; F3806-Q3809 PolarHBondContact O-N 3.07Å; F3806-Q3809 VanDerWaalsContact O-N 3.15Å; D3807-Q3809 VanDerWaalsContact C-N 3.33Å; D3807-Q3809 PolarHBondContact O-N 2.91Å; Q3809-A3811 VanDerWaalsContact C-N 3.31Å; Q3809-A3811 PolarHBondContact O-N 3.17Å; Q3809-A3812 WeakPolarHBondContact O-CB 3.4Å; Q3809-A3812 PolarHBondContact O-N 3.26Å; Q3809-E3813 WeakPolarHBondContact O-CB 3.32Å; Q3809-E3813 PolarHBondContact O-N 3.27Å
3810	I	90.4	Very high	80.3	Confident	87 Å²	87	99.7 Å²	99.7	45%	0.446	51%	0.514	S	S	.	.	H	α-helix	trans	-58.8	-44.6	172.7	-68.9	167	0	0	0	110.4	F3806 D3807 A3812 E3813 A3814	F3806-I3810 HydrophobicContact CD1-CD1 3.61Å; F3806-I3810 HydrophobicContact CD1-CG1 4.44Å; F3806-I3810 HydrophobicContact CE1-CD1 3.3Å; F3806-I3810 HydrophobicContact CE1-CG1 4.28Å; F3806-I3810 HydrophobicContact CE2-CD1 4.49Å; F3806-I3810 HydrophobicContact CG-CD1 4.37Å; F3806-I3810 HydrophobicContact CZ-CD1 3.81Å; F3806-I3810 HydrophobicContact CZ-CG1 4.4Å; F3806-I3810 WeakPolarHBondContact O-CG1 3.35Å; F3806-I3810 PolarHBondContact O-N 2.92Å; D3807-I3810 PolarHBondContact O-N 2.88Å; I3810-A3812 VanDerWaalsContact C-N 3.29Å; I3810-A3812 PolarHBondContact O-N 3.07Å; I3810-E3813 PolarHBondContact O-N 3.11Å; I3810-A3814 VanDerWaalsContact O-CB 3.27Å; I3810-A3814 WeakPolarHBondContact O-CB 3.21Å; I3810-A3814 PolarHBondContact O-N 2.94Å
3811	A	91.4	Very high	82.4	Confident	33.5 Å²	33.5	97.6 Å²	97.6	28%	0.277	50%	0.503	S	S	.	.	H	α-helix	trans	-67	-29.7	177.5	0	0	0	0	0	112.6	D3807 A3808 Q3809 R3815	D3807-A3811 VanDerWaalsContact O-CB 3.27Å; D3807-A3811 WeakPolarHBondContact O-CB 3.4Å; D3807-A3811 PolarHBondContact O-N 3.06Å; A3808-A3811 PolarHBondContact O-N 3.49Å; Q3809-A3811 VanDerWaalsContact C-N 3.31Å; Q3809-A3811 PolarHBondContact O-N 3.17Å; A3811-R3815 VanDerWaalsContact C-NH1 3.32Å; A3811-R3815 WeakPolarHBondContact O-CB 3.43Å; A3811-R3815 VanDerWaalsContact O-CD 3.3Å; A3811-R3815 WeakPolarHBondContact O-CD 3.25Å; A3811-R3815 VanDerWaalsContact O-CG 3.22Å; A3811-R3815 WeakPolarHBondContact O-CG 3.37Å; A3811-R3815 PolarHBondContact O-N 2.88Å; A3811-R3815 PolarHBondContact O-NH1 2.8Å
3812	A	89.3	Confident	84.1	Confident	50.5 Å²	50.5	98.4 Å²	98.4	42%	0.417	50%	0.5	S	S	.	.	H	α-helix	trans	-71.9	-46.2	172.9	0	0	0	0	0	111.4	A3808 Q3809 I3810 R3815 Q3816	A3808-A3812 WeakPolarHBondContact O-CB 3.43Å; A3808-A3812 PolarHBondContact O-N 3.41Å; Q3809-A3812 WeakPolarHBondContact O-CB 3.4Å; Q3809-A3812 PolarHBondContact O-N 3.26Å; I3810-A3812 VanDerWaalsContact C-N 3.29Å; I3810-A3812 PolarHBondContact O-N 3.07Å; A3812-R3815 CarbonylContact O-C 3.6Å; A3812-R3815 WeakPolarHBondContact O-CB 3.38Å; A3812-R3815 PolarHBondContact O-N 3.12Å; A3812-Q3816 PolarHBondContact O-N 3.21Å
3813	E	94.1	Very high	85.6	Confident	98.5 Å²	98.5	99.3 Å²	99.3	46%	0.46	51%	0.509	S	S	.	.	H	α-helix	trans	-61.1	-46.1	176.8	-165.6	102.1	-149.1	0	0	111.2	Q3809 I3810 R3815 Q3816 I3817	Q3809-E3813 WeakPolarHBondContact O-CB 3.32Å; Q3809-E3813 PolarHBondContact O-N 3.27Å; I3810-E3813 PolarHBondContact O-N 3.11Å; E3813-R3815 VanDerWaalsContact C-N 3.31Å; E3813-R3815 PolarHBondContact O-N 3.19Å; E3813-Q3816 CarbonylContact O-C 3.34Å; E3813-Q3816 WeakPolarHBondContact O-CA 3.3Å; E3813-Q3816 WeakPolarHBondContact O-CB 3.31Å; E3813-Q3816 PolarHBondContact O-N 2.83Å; E3813-Q3816 VanDerWaalsContact O-N 3.07Å; E3813-I3817 HydrophobicContact CG-CD1 4.13Å; E3813-I3817 WeakPolarHBondContact O-CG1 3.43Å; E3813-I3817 PolarHBondContact O-N 3.33Å
3814	A	94.3	Very high	87.4	Confident	50 Å²	50	100.1 Å²	100.1	41%	0.413	51%	0.514	S	S	.	.	H	α-helix	trans	-60.9	-37.7	175.6	0	0	0	0	0	112.4	I3810 S3818	I3810-A3814 VanDerWaalsContact O-CB 3.27Å; I3810-A3814 WeakPolarHBondContact O-CB 3.21Å; I3810-A3814 PolarHBondContact O-N 2.94Å; A3814-S3818 VanDerWaalsContact O-CB 3.28Å; A3814-S3818 WeakPolarHBondContact O-CB 3.32Å; A3814-S3818 PolarHBondContact O-N 2.91Å; A3814-S3818 PolarHBondContact O-OG 3.43Å
3815	R	93.5	Very high	88.4	Confident	154 Å²	154	99 Å²	99	58%	0.581	52%	0.516	S	S	*	.	H	α-helix	trans	-68.7	-36.6	173	-73.2	173.3	-164.7	117.9	-6	112	A3811 A3812 E3813 S3818 R3819	A3811-R3815 VanDerWaalsContact C-NH1 3.32Å; A3811-R3815 WeakPolarHBondContact O-CB 3.43Å; A3811-R3815 VanDerWaalsContact O-CD 3.3Å; A3811-R3815 WeakPolarHBondContact O-CD 3.25Å; A3811-R3815 VanDerWaalsContact O-CG 3.22Å; A3811-R3815 WeakPolarHBondContact O-CG 3.37Å; A3811-R3815 PolarHBondContact O-N 2.88Å; A3811-R3815 PolarHBondContact O-NH1 2.8Å; A3812-R3815 CarbonylContact O-C 3.6Å; A3812-R3815 WeakPolarHBondContact O-CB 3.38Å; A3812-R3815 PolarHBondContact O-N 3.12Å; E3813-R3815 VanDerWaalsContact C-N 3.31Å; E3813-R3815 PolarHBondContact O-N 3.19Å; R3815-S3818 PolarHBondContact O-N 3.49Å; R3815-R3819 WeakPolarHBondContact O-CB 3.46Å; R3815-R3819 WeakPolarHBondContact O-CD 3.39Å; R3815-R3819 VanDerWaalsContact O-CG 3.29Å; R3815-R3819 WeakPolarHBondContact O-CG 3.32Å; R3815-R3819 PolarHBondContact O-N 3.14Å
3816	Q	92.3	Very high	89.4	Confident	123 Å²	123	101.7 Å²	101.7	58%	0.575	52%	0.518	S	S	*	.	H	α-helix	trans	-65.2	-48.4	175.7	178.9	175.7	-24.5	0	0	111	A3812 E3813 S3818 R3819 Q3820	A3812-Q3816 PolarHBondContact O-N 3.21Å; E3813-Q3816 CarbonylContact O-C 3.34Å; E3813-Q3816 WeakPolarHBondContact O-CA 3.3Å; E3813-Q3816 WeakPolarHBondContact O-CB 3.31Å; E3813-Q3816 PolarHBondContact O-N 2.83Å; E3813-Q3816 VanDerWaalsContact O-N 3.07Å; Q3816-S3818 VanDerWaalsContact C-N 3.34Å; Q3816-S3818 PolarHBondContact O-N 3.08Å; Q3816-R3819 WeakPolarHBondContact O-CB 3.33Å; Q3816-R3819 PolarHBondContact O-N 2.92Å; Q3816-Q3820 PolarHBondContact O-N 3.32Å
3817	I	94.9	Very high	89.9	Confident	82.5 Å²	82.5	102.1 Å²	102.1	42%	0.423	53%	0.525	S	S	.	.	H	α-helix	trans	-60.8	-44.7	175.1	-65.1	165.7	0	0	0	110.3	E3813 R3819 Q3820 L3821	E3813-I3817 HydrophobicContact CG-CD1 4.13Å; E3813-I3817 WeakPolarHBondContact O-CG1 3.43Å; E3813-I3817 PolarHBondContact O-N 3.33Å; I3817-R3819 VanDerWaalsContact C-N 3.31Å; I3817-R3819 PolarHBondContact O-N 2.96Å; I3817-Q3820 WeakPolarHBondContact O-CB 3.3Å; I3817-Q3820 PolarHBondContact O-N 3.27Å; I3817-Q3820 VanDerWaalsContact O-N 3.13Å; I3817-L3821 HydrophobicContact CG2-CD1 4Å; I3817-L3821 HydrophobicContact CG2-CG 4.35Å; I3817-L3821 WeakPolarHBondContact O-CB 3.45Å; I3817-L3821 WeakPolarHBondContact O-CG 3.37Å; I3817-L3821 PolarHBondContact O-N 3.46Å
3818	S	90.5	Very high	89	Confident	56 Å²	56	101 Å²	101	39%	0.392	52%	0.523	S	S	.	.	H	α-helix	trans	-61	-37.7	176.6	-120.1	0	0	0	0	112.7	A3814 R3815 Q3816 R3822	A3814-S3818 VanDerWaalsContact O-CB 3.28Å; A3814-S3818 WeakPolarHBondContact O-CB 3.32Å; A3814-S3818 PolarHBondContact O-N 2.91Å; A3814-S3818 PolarHBondContact O-OG 3.43Å; R3815-S3818 PolarHBondContact O-N 3.49Å; Q3816-S3818 VanDerWaalsContact C-N 3.34Å; Q3816-S3818 PolarHBondContact O-N 3.08Å; S3818-R3822 WeakPolarHBondContact O-CB 3.39Å; S3818-R3822 PolarHBondContact O-N 3.19Å
3819	R	90.7	Very high	88.2	Confident	183.5 Å²	183.5	104.6 Å²	104.6	69%	0.692	54%	0.539	S	S	*	.	H	α-helix	trans	-66.4	-42.9	172.8	-74.3	169.8	-176	-135.2	1.4	111.5	R3815 Q3816 I3817 R3822 V3823	R3815-R3819 WeakPolarHBondContact O-CB 3.46Å; R3815-R3819 WeakPolarHBondContact O-CD 3.39Å; R3815-R3819 VanDerWaalsContact O-CG 3.29Å; R3815-R3819 WeakPolarHBondContact O-CG 3.32Å; R3815-R3819 PolarHBondContact O-N 3.14Å; Q3816-R3819 WeakPolarHBondContact O-CB 3.33Å; Q3816-R3819 PolarHBondContact O-N 2.92Å; I3817-R3819 VanDerWaalsContact C-N 3.31Å; I3817-R3819 PolarHBondContact O-N 2.96Å; R3819-R3822 PolarHBondContact O-N 3.12Å; R3819-V3823 VanDerWaalsContact O-CG2 3.32Å; R3819-V3823 WeakPolarHBondContact O-CG2 3.48Å; R3819-V3823 PolarHBondContact O-N 3.29Å
3820	Q	93.3	Very high	86.6	Confident	116 Å²	116	106.1 Å²	106.1	54%	0.542	55%	0.55	S	S	.	*	H	α-helix	trans	-63.6	-44.1	177.9	-171.6	174.9	0.9	0	0	111.5	Q3816 I3817 R3822 V3823 M3824	Q3816-Q3820 PolarHBondContact O-N 3.32Å; I3817-Q3820 WeakPolarHBondContact O-CB 3.3Å; I3817-Q3820 PolarHBondContact O-N 3.27Å; I3817-Q3820 VanDerWaalsContact O-N 3.13Å; Q3820-R3822 VanDerWaalsContact C-N 3.34Å; Q3820-R3822 PolarHBondContact O-N 3.11Å; Q3820-V3823 PolarHBondContact O-N 3.23Å; Q3820-M3824 HydrophobicContact CG-CE 4.3Å; Q3820-M3824 WeakPolarHBondContact O-CG 3.42Å; Q3820-M3824 PolarHBondContact O-N 3.11Å
3821	L	93.3	Very high	84.2	Confident	69 Å²	69	105.1 Å²	105.1	36%	0.361	56%	0.561	S	S	.	*	H	α-helix	trans	-56.3	-46.9	171.9	-74.8	171.9	0	0	0	111.2	I3817 V3823 M3824 G3825 W3826	I3817-L3821 HydrophobicContact CG2-CD1 4Å; I3817-L3821 HydrophobicContact CG2-CG 4.35Å; I3817-L3821 WeakPolarHBondContact O-CB 3.45Å; I3817-L3821 WeakPolarHBondContact O-CG 3.37Å; I3817-L3821 PolarHBondContact O-N 3.46Å; L3821-V3823 PolarHBondContact O-N 2.89Å; L3821-M3824 HydrophobicContact CD2-CE 3.8Å; L3821-M3824 HydrophobicContact CG-CE 4.44Å; L3821-M3824 CarbonylContact O-C 3.53Å; L3821-M3824 WeakPolarHBondContact O-CA 3.46Å; L3821-M3824 WeakPolarHBondContact O-CB 3.46Å; L3821-M3824 PolarHBondContact O-N 3.06Å; L3821-M3824 VanDerWaalsContact O-N 3.13Å; L3821-G3825 PolarHBondContact O-N 2.94Å; L3821-W3826 HydrophobicContact CB-CB 4.02Å; L3821-W3826 HydrophobicContact CD2-CB 4.34Å; L3821-W3826 HydrophobicContact CD2-CD2 4.49Å; L3821-W3826 HydrophobicContact CD2-CG 4.13Å; L3821-W3826 VanDerWaalsContact O-CB 3.31Å; L3821-W3826 WeakPolarHBondContact O-CB 3.38Å; L3821-W3826 PolarHBondContact O-N 2.95Å
3822	R	88.2	Confident	81.9	Confident	163.5 Å²	163.5	111.5 Å²	111.5	62%	0.617	59%	0.586	S	S	*	*	H	α-helix	trans	-64	-37.8	177.3	-165.4	178.6	-60.3	-170.7	-2	113.4	S3818 R3819 Q3820 M3824 G3825 W3826	S3818-R3822 WeakPolarHBondContact O-CB 3.39Å; S3818-R3822 PolarHBondContact O-N 3.19Å; R3819-R3822 PolarHBondContact O-N 3.12Å; Q3820-R3822 VanDerWaalsContact C-N 3.34Å; Q3820-R3822 PolarHBondContact O-N 3.11Å; R3822-M3824 VanDerWaalsContact C-N 3.29Å; R3822-M3824 PolarHBondContact O-N 3.01Å; R3822-G3825 PolarHBondContact O-N 2.91Å; R3822-G3825 VanDerWaalsContact O-N 3.1Å; R3822-W3826 WeakPolarHBondContact CA-O 3.48Å
3823	V	83.5	Confident	79.3	Confident	130 Å²	130	117.5 Å²	117.5	79%	0.788	61%	0.605	S	S	*	*	H	α-helix	trans	-65.1	-32.5	173.5	169.5	0	0	0	0	111.3	R3819 Q3820 L3821 G3825	R3819-V3823 VanDerWaalsContact O-CG2 3.32Å; R3819-V3823 WeakPolarHBondContact O-CG2 3.48Å; R3819-V3823 PolarHBondContact O-N 3.29Å; Q3820-V3823 PolarHBondContact O-N 3.23Å; L3821-V3823 PolarHBondContact O-N 2.89Å; V3823-G3825 PolarHBondContact O-N 2.91Å
3824	M	91.6	Very high	76.3	Confident	110 Å²	110	121.6 Å²	121.6	54%	0.542	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.5	7.7	172	-65	-175.5	-55.2	0	0	113.6	Q3820 L3821 R3822	Q3820-M3824 HydrophobicContact CG-CE 4.3Å; Q3820-M3824 WeakPolarHBondContact O-CG 3.42Å; Q3820-M3824 PolarHBondContact O-N 3.11Å; L3821-M3824 HydrophobicContact CD2-CE 3.8Å; L3821-M3824 HydrophobicContact CG-CE 4.44Å; L3821-M3824 CarbonylContact O-C 3.53Å; L3821-M3824 WeakPolarHBondContact O-CA 3.46Å; L3821-M3824 WeakPolarHBondContact O-CB 3.46Å; L3821-M3824 PolarHBondContact O-N 3.06Å; L3821-M3824 VanDerWaalsContact O-N 3.13Å; R3822-M3824 VanDerWaalsContact C-N 3.29Å; R3822-M3824 PolarHBondContact O-N 3.01Å
3825	G	87.1	Confident	73.4	Confident	59 Å²	59	124.5 Å²	124.5	61%	0.608	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	85.6	4.8	177.8	0	0	0	0	0	115.6	L3821 R3822 V3823 I3827	L3821-G3825 PolarHBondContact O-N 2.94Å; R3822-G3825 PolarHBondContact O-N 2.91Å; R3822-G3825 VanDerWaalsContact O-N 3.1Å; V3823-G3825 PolarHBondContact O-N 2.91Å; G3825-I3827 PolarHBondContact O-N 3.02Å
3826	W	87.4	Confident	70.4	Confident	173 Å²	173	123.2 Å²	123.2	66%	0.655	64%	0.644	S	S	*	*			trans	-80.6	113.3	176.9	-61.5	76.7	0	0	0	110.4	L3821 R3822	L3821-W3826 HydrophobicContact CB-CB 4.02Å; L3821-W3826 HydrophobicContact CD2-CB 4.34Å; L3821-W3826 HydrophobicContact CD2-CD2 4.49Å; L3821-W3826 HydrophobicContact CD2-CG 4.13Å; L3821-W3826 VanDerWaalsContact O-CB 3.31Å; L3821-W3826 WeakPolarHBondContact O-CB 3.38Å; L3821-W3826 PolarHBondContact O-N 2.95Å; R3822-W3826 WeakPolarHBondContact CA-O 3.48Å
3827	I	83.9	Confident	67.5	Low	136.5 Å²	136.5	123.7 Å²	123.7	70%	0.7	65%	0.65	S	S	*	*			trans	-98.1	124.5	173.3	-58.2	171.3	0	0	0	107.3	G3825 V3829	G3825-I3827 PolarHBondContact O-N 3.02Å; I3827-V3829 PolarHBondContact O-N 2.97Å
3828	P	67.4	Low	64.5	Low	76.5 Å²	76.5	123.8 Å²	123.8	50%	0.497	66%	0.663	S	S	.	*			trans	-63.4	130.9	171.5	26.3	-31.2	0	0	0	109	D3830	P3828-D3830 PolarHBondContact O-N 2.93Å
3829	V	65.9	Low	61.7	Low	132 Å²	132	128.3 Å²	128.3	80%	0.8	68%	0.683	S	S	*	*			trans	-67.5	111	173.4	178.7	0	0	0	0	107.3	I3827 G3831	I3827-V3829 PolarHBondContact O-N 2.97Å; V3829-G3831 PolarHBondContact O-N 3.08Å; V3829-G3831 VanDerWaalsContact O-N 3.13Å
3830	D	55.3	Low	58.5	Low	144 Å²	144	126 Å²	126	77%	0.77	69%	0.69	S	S	*	*			trans	-61.9	110.9	169.5	-71.7	-38.5	0	0	0	107.3	P3828 E3832	P3828-D3830 PolarHBondContact O-N 2.93Å; D3830-E3832 VanDerWaalsContact C-N 3.27Å; D3830-E3832 PolarHBondContact O-N 2.94Å
3831	G	40.7	Very low	55.5	Low	65.5 Å²	65.5	125.7 Å²	125.7	68%	0.675	70%	0.7	S	S	*	*			trans	-62.3	106	179.9	0	0	0	0	0	109.7	V3829 Q3833	V3829-G3831 PolarHBondContact O-N 3.08Å; V3829-G3831 VanDerWaalsContact O-N 3.13Å; G3831-Q3833 PolarHBondContact O-N 3.3Å
3832	E	41.9	Very low	52.4	Low	168.5 Å²	168.5	131.5 Å²	131.5	79%	0.787	73%	0.726	S	S	*	*			trans	-55.2	118	174.2	-69.5	-166.9	159.8	0	0	108.9	D3830 F3834	D3830-E3832 VanDerWaalsContact C-N 3.27Å; D3830-E3832 PolarHBondContact O-N 2.94Å; E3832-F3834 PolarHBondContact O-N 3.14Å
3833	Q	34.6	Very low	49.7	Very low	177 Å²	177	131 Å²	131	83%	0.827	74%	0.735	S	S	*	*			trans	-66.1	99.5	175.2	-66.6	176.5	20.9	0	0	107.5	G3831 T3835	G3831-Q3833 PolarHBondContact O-N 3.3Å; Q3833-T3835 VanDerWaalsContact C-N 3.29Å; Q3833-T3835 PolarHBondContact O-N 3.14Å
3834	F	32.3	Very low	47.1	Very low	184 Å²	184	129.2 Å²	129.2	81%	0.807	73%	0.728	S	S	*	*			trans	-62.6	91.6	166.2	-78	-86.3	0	0	0	108.5	E3832 T3836	E3832-F3834 PolarHBondContact O-N 3.14Å; F3834-T3836 VanDerWaalsContact C-N 3.34Å; F3834-T3836 PolarHBondContact O-N 2.82Å; F3834-T3836 PolarHBondContact O-OG1 3.14Å
3835	T	31.9	Very low	44	Very low	111.5 Å²	111.5	131.1 Å²	131.1	68%	0.684	74%	0.741	S	S	*	*			trans	-67.8	97.4	167.3	49.4	0	0	0	0	107.3	Q3833 D3837	Q3833-T3835 VanDerWaalsContact C-N 3.29Å; Q3833-T3835 PolarHBondContact O-N 3.14Å; T3835-D3837 PolarHBondContact O-N 3.16Å
3836	T	32.1	Very low	41.4	Very low	126 Å²	126	139.7 Å²	139.7	77%	0.773	76%	0.755	S	S	*	*			trans	-78.3	96.1	176.3	-51.2	0	0	0	0	107.5	F3834 A3838	F3834-T3836 VanDerWaalsContact C-N 3.34Å; F3834-T3836 PolarHBondContact O-N 2.82Å; F3834-T3836 PolarHBondContact O-OG1 3.14Å; T3836-A3838 VanDerWaalsContact C-N 3.34Å; T3836-A3838 PolarHBondContact O-N 3.24Å
3837	D	31.5	Very low	38.6	Very low	133.5 Å²	133.5	138.9 Å²	138.9	71%	0.714	76%	0.763	S	S	*	*			trans	-65	97.1	175.6	-74.5	-29.7	0	0	0	109.7	T3835 N3839	T3835-D3837 PolarHBondContact O-N 3.16Å; D3837-N3839 VanDerWaalsContact C-N 3.28Å; D3837-N3839 PolarHBondContact O-N 3.07Å
3838	A	30.9	Very low	36	Very low	84 Å²	84	138.8 Å²	138.8	69%	0.694	76%	0.764	S	S	*	*			trans	-75.5	74.2	178.5	0	0	0	0	0	110.6	T3836 T3840	T3836-A3838 VanDerWaalsContact C-N 3.34Å; T3836-A3838 PolarHBondContact O-N 3.24Å; A3838-T3840 VanDerWaalsContact C-N 3.31Å; A3838-T3840 PolarHBondContact O-N 3.32Å
3839	N	31	Very low	34.2	Very low	150.5 Å²	150.5	141.7 Å²	141.7	81%	0.805	78%	0.775	S	S	*	*			trans	-72.6	88.4	171.1	-76.5	-35	0	0	0	110.2	D3837 S3841	D3837-N3839 VanDerWaalsContact C-N 3.28Å; D3837-N3839 PolarHBondContact O-N 3.07Å; N3839-S3841 PolarHBondContact O-N 3.28Å
3840	T	25.4	Very low	32.4	Very low	136 Å²	136	141 Å²	141	83%	0.834	77%	0.771	S	S	*	*			trans	-75.5	102.3	163.1	39.3	0	0	0	0	108.9	A3838	A3838-T3840 VanDerWaalsContact C-N 3.31Å; A3838-T3840 PolarHBondContact O-N 3.32Å
3841	S	30.3	Very low	31	Very low	109.5 Å²	109.5	141.5 Å²	141.5	77%	0.766	77%	0.774	S	S	*	*			trans	-128.6	96.6	162.5	70.7	0	0	0	0	110	N3839 N3843	N3839-S3841 PolarHBondContact O-N 3.28Å; S3841-N3843 PolarHBondContact O-N 3.03Å
3842	E	26.6	Very low	30.3	Very low	191 Å²	191	146.5 Å²	146.5	89%	0.893	78%	0.779	S	S	*	*			trans	-61.3	120.7	161.9	-60	171.8	157.1	0	0	108.4
3843	N	31.6	Very low	29.6	Very low	152.5 Å²	152.5	143.2 Å²	143.2	82%	0.816	78%	0.781	S	S	*	*			trans	-155.5	129.3	153.2	-126.9	-25.6	0	0	0	113.9	S3841	S3841-N3843 PolarHBondContact O-N 3.03Å
3844	S	30.3	Very low	29.3	Very low	93 Å²	93	140.7 Å²	140.7	65%	0.65	77%	0.774	S	S	*	*			trans	-13.3	131.3	166.5	49.4	0	0	0	0	118.6
3845	D	26.6	Very low	29.1	Very low	150 Å²	150	139.3 Å²	139.3	80%	0.802	77%	0.774	S	S	*	*			trans	13.2	114.3	130.8	-64.7	-31.1	0	0	0	117.7
3846	R	31.7	Very low	28.9	Very low	239 Å²	239	142 Å²	142	90%	0.902	78%	0.783	S	S	*	*				175.6	128.3	116.2	-95.4	161	174.2	-152	-4.1	112.9
3847	L	29.5	Very low	28.6	Very low	156 Å²	156	141.5 Å²	141.5	82%	0.817	78%	0.782	S	S	*	*			trans	-12	129.9	147.6	-67.2	159.4	0	0	0	115.3
3848	N	27.6	Very low	28.4	Very low	135 Å²	135	141.9 Å²	141.9	72%	0.722	79%	0.789	S	S	*	*			trans	115.2	129	136.7	-83.6	22.8	0	0	0	114.9
3849	D	30	Very low	28.3	Very low	136.5 Å²	136.5	143 Å²	143	73%	0.73	79%	0.792	S	S	*	*				133.8	135.5	103.1	-74.4	-34.8	0	0	0	116.3	N3851	D3849-N3851 PolarHBondContact O-N 3.47Å
3850	T	27.4	Very low	28.1	Very low	119 Å²	119	138.9 Å²	138.9	73%	0.73	79%	0.785	S	S	*	*			trans	-34.2	123.8	160	48.7	0	0	0	0	116	E3852	T3850-E3852 PolarHBondContact O-N 3.14Å
3851	N	27.1	Very low	28.4	Very low	154 Å²	154	139.8 Å²	139.8	82%	0.824	78%	0.784	S	S	*	*			trans	122.7	97.2	139.2	-73.8	-24.9	0	0	0	114.7	D3849 A3853	D3849-N3851 PolarHBondContact O-N 3.47Å; N3851-A3853 PolarHBondContact O-N 2.85Å
3852	E	26.6	Very low	28.3	Very low	169 Å²	169	142.5 Å²	142.5	79%	0.79	79%	0.785	S	S	*	*			trans	-12	102.9	147.6	-73.7	-166.2	155.1	0	0	115.1	T3850 N3854	T3850-E3852 PolarHBondContact O-N 3.14Å; E3852-N3854 VanDerWaalsContact C-N 3.28Å; E3852-N3854 PolarHBondContact O-N 2.97Å; E3852-N3854 PolarHBondContact OE2-ND2 3.3Å
3853	A	26	Very low	28.2	Very low	100 Å²	100	144.3 Å²	144.3	83%	0.826	78%	0.783	S	S	*	*			trans	-31.4	86.6	149.3	0	0	0	0	0	113.8	N3851	N3851-A3853 PolarHBondContact O-N 2.85Å
3854	N	29.2	Very low	28.1	Very low	125 Å²	125	142.1 Å²	142.1	67%	0.668	78%	0.775	S	S	*	*			trans	-132.9	103.7	162.2	-87.3	-50.7	0	0	0	111.1	E3852	E3852-N3854 VanDerWaalsContact C-N 3.28Å; E3852-N3854 PolarHBondContact O-N 2.97Å; E3852-N3854 PolarHBondContact OE2-ND2 3.3Å
3855	L	27.1	Very low	28.1	Very low	154.5 Å²	154.5	144.8 Å²	144.8	81%	0.809	78%	0.777	S	S	*	*			trans	46.7	93.1	134.1	-55.2	172.8	0	0	0	117.3
3856	L	27.8	Very low	28.3	Very low	168 Å²	168	144.9 Å²	144.9	88%	0.88	78%	0.777	S	S	*	*			trans	-149.3	124.4	132.9	-94.2	160.6	0	0	0	109.1
3857	P	27.3	Very low	28.3	Very low	116 Å²	116	141.9 Å²	141.9	75%	0.753	77%	0.771	S	S	*	*			trans	-73.7	133.8	-175.5	14.1	-8.6	0	0	0	110.9	S3859	P3857-S3859 VanDerWaalsContact C-N 3.27Å; P3857-S3859 PolarHBondContact O-N 2.97Å
3858	T	27.1	Very low	28.2	Very low	140.5 Å²	140.5	142.4 Å²	142.4	86%	0.862	77%	0.774	S	S	*	*			trans	-64.2	92.3	170.4	52.3	0	0	0	0	110.2	G3860	T3858-G3860 PolarHBondContact O-N 3.09Å
3859	S	28.2	Very low	28.4	Very low	109 Å²	109	142.7 Å²	142.7	76%	0.762	77%	0.774	S	S	*	*			trans	-72.3	75.9	165.6	57.6	0	0	0	0	109.4	P3857 L3861	P3857-S3859 VanDerWaalsContact C-N 3.27Å; P3857-S3859 PolarHBondContact O-N 2.97Å; S3859-L3861 PolarHBondContact O-N 3.15Å
3860	G	27.8	Very low	28.4	Very low	64 Å²	64	141.9 Å²	141.9	66%	0.66	78%	0.776	S	S	*	*			trans	-72.7	84.4	167.7	0	0	0	0	0	110.4	T3858 H3862	T3858-G3860 PolarHBondContact O-N 3.09Å; G3860-H3862 PolarHBondContact O-N 3.1Å
3861	L	30.1	Very low	28.4	Very low	154 Å²	154	144.1 Å²	144.1	81%	0.806	78%	0.778	S	S	*	*			trans	-20.9	82.9	160.2	-66	171.4	0	0	0	113.3	S3859 R3863	S3859-L3861 PolarHBondContact O-N 3.15Å; L3861-R3863 VanDerWaalsContact C-N 3.33Å; L3861-R3863 PolarHBondContact O-N 3.34Å
3862	H	28.3	Very low	28.4	Very low	167.5 Å²	167.5	141.6 Å²	141.6	78%	0.775	77%	0.773	S	S	*	*			trans	-15.6	90.7	152.8	-74.6	-90.3	0	0	0	113.4	G3860 T3864	G3860-H3862 PolarHBondContact O-N 3.1Å; H3862-T3864 VanDerWaalsContact C-N 3.35Å; H3862-T3864 HydrophobicContact CB-CG2 4.46Å; H3862-T3864 PolarHBondContact O-N 2.92Å
3863	R	25.8	Very low	28.7	Very low	228.5 Å²	228.5	139 Å²	139	86%	0.862	77%	0.773	S	S	*	*			trans	-67.3	98.3	148.4	-88.6	-174.4	172.4	-143.8	-1.8	108	L3861 H3865	L3861-R3863 VanDerWaalsContact C-N 3.33Å; L3861-R3863 PolarHBondContact O-N 3.34Å; R3863-H3865 VanDerWaalsContact C-N 3.31Å; R3863-H3865 PolarHBondContact O-N 2.99Å
3864	T	28.9	Very low	28.8	Very low	105.5 Å²	105.5	141.4 Å²	141.4	65%	0.647	77%	0.768	S	S	*	*			trans	-67.4	107.2	167.3	49	0	0	0	0	108.6	H3862 L3866	H3862-T3864 VanDerWaalsContact C-N 3.35Å; H3862-T3864 HydrophobicContact CB-CG2 4.46Å; H3862-T3864 PolarHBondContact O-N 2.92Å; T3864-L3866 PolarHBondContact O-N 3.11Å
3865	H	29.9	Very low	28.9	Very low	150.5 Å²	150.5	143.2 Å²	143.2	70%	0.697	78%	0.776	S	S	*	*			trans	-62.7	95.7	161.9	-68.4	-92.5	0	0	0	107.6	R3863 F3867	R3863-H3865 VanDerWaalsContact C-N 3.31Å; R3863-H3865 PolarHBondContact O-N 2.99Å; H3865-F3867 VanDerWaalsContact C-N 3.31Å; H3865-F3867 HydrophobicContact CB-CD2 4.26Å; H3865-F3867 HydrophobicContact CB-CE2 4.02Å; H3865-F3867 WeakPolarHBondContact O-CD2 3.39Å; H3865-F3867 PolarHBondContact O-N 3.3Å
3866	L	30.2	Very low	28.9	Very low	152 Å²	152	143.2 Å²	143.2	80%	0.796	78%	0.776	S	S	*	*			trans	-70	89.6	171.2	-72.4	171.4	0	0	0	107.8	T3864 L3868	T3864-L3866 PolarHBondContact O-N 3.11Å; L3866-L3868 PolarHBondContact O-N 3.08Å
3867	F	31.9	Very low	28.8	Very low	174.5 Å²	174.5	146.2 Å²	146.2	77%	0.765	78%	0.776	S	S	*	*			trans	-58.6	115	159.5	-72	-85.8	0	0	0	107.7	H3865 L3869	H3865-F3867 VanDerWaalsContact C-N 3.31Å; H3865-F3867 HydrophobicContact CB-CD2 4.26Å; H3865-F3867 HydrophobicContact CB-CE2 4.02Å; H3865-F3867 WeakPolarHBondContact O-CD2 3.39Å; H3865-F3867 PolarHBondContact O-N 3.3Å; F3867-L3869 HydrophobicContact CB-CD1 4.47Å; F3867-L3869 HydrophobicContact CB-CG 4.12Å; F3867-L3869 PolarHBondContact O-N 3.01Å
3868	L	28.9	Very low	28.9	Very low	168 Å²	168	145.1 Å²	145.1	88%	0.88	78%	0.777	S	S	*	*			trans	-70	74.1	162.3	-81	155	0	0	0	108	L3866	L3866-L3868 PolarHBondContact O-N 3.08Å
3869	L	30.2	Very low	28.8	Very low	140.5 Å²	140.5	144 Å²	144	74%	0.736	77%	0.774	S	S	*	*			trans	-65.5	131.5	158.3	-74.7	163.8	0	0	0	106.8	F3867 E3871	F3867-L3869 HydrophobicContact CB-CD1 4.47Å; F3867-L3869 HydrophobicContact CB-CG 4.12Å; F3867-L3869 PolarHBondContact O-N 3.01Å; L3869-E3871 PolarHBondContact O-N 3.06Å; L3869-E3871 VanDerWaalsContact O-N 3.08Å
3870	P	31.1	Very low	28.8	Very low	119.5 Å²	119.5	143.9 Å²	143.9	78%	0.776	77%	0.773	S	S	*	*			trans	-56.7	118.1	170.9	2.8	-1.3	0	0	0	108.2	S3872	P3870-S3872 PolarHBondContact O-N 2.87Å
3871	E	26.1	Very low	28.9	Very low	165 Å²	165	151.8 Å²	151.8	77%	0.771	78%	0.782	S	S	*	*			trans	-57.7	116.3	176.9	-116.2	-169.7	147	0	0	108.6	L3869 S3873 Q3874	L3869-E3871 PolarHBondContact O-N 3.06Å; L3869-E3871 VanDerWaalsContact O-N 3.08Å; E3871-S3873 PolarHBondContact O-N 2.84Å; E3871-Q3874 PolarHBondContact OE1-NE2 3.22Å; E3871-Q3874 VanDerWaalsContact OE1-NE2 3.1Å
3872	S	28.3	Very low	28.9	Very low	102 Å²	102	152.8 Å²	152.8	71%	0.713	78%	0.783	S	S	*	*			trans	-64.5	96.2	176	55	0	0	0	0	109.1	P3870 Q3874	P3870-S3872 PolarHBondContact O-N 2.87Å; S3872-Q3874 PolarHBondContact O-N 3.24Å
3873	S	31.6	Very low	29	Very low	113.5 Å²	113.5	150.1 Å²	150.1	79%	0.794	78%	0.78	S	S	*	*			trans	-18.4	56.2	155.9	48.7	0	0	0	0	113	E3871 I3875	E3871-S3873 PolarHBondContact O-N 2.84Å; S3873-I3875 PolarHBondContact O-N 3.29Å
3874	Q	29.6	Very low	29.2	Very low	151.5 Å²	151.5	143.7 Å²	143.7	71%	0.708	77%	0.771	S	S	*	*			trans	-80.7	84.6	163.2	-69.3	-166.7	29.4	0	0	108.6	E3871 S3872 N3876	E3871-Q3874 PolarHBondContact OE1-NE2 3.22Å; E3871-Q3874 VanDerWaalsContact OE1-NE2 3.1Å; S3872-Q3874 PolarHBondContact O-N 3.24Å; Q3874-N3876 VanDerWaalsContact C-N 3.28Å; Q3874-N3876 PolarHBondContact O-N 3.15Å
3875	I	29.9	Very low	29.4	Very low	163.5 Å²	163.5	146.3 Å²	146.3	84%	0.838	78%	0.78	S	S	*	*			trans	-14.1	79.1	153.4	-57.7	173.7	0	0	0	109.6	S3873 R3877	S3873-I3875 PolarHBondContact O-N 3.29Å; I3875-R3877 PolarHBondContact O-N 3.12Å
3876	N	28.5	Very low	29.4	Very low	154 Å²	154	149.5 Å²	149.5	82%	0.824	79%	0.786	S	S	*	*			trans	-63.5	92.2	170.5	-88.5	-54.2	0	0	0	109	Q3874 A3878	Q3874-N3876 VanDerWaalsContact C-N 3.28Å; Q3874-N3876 PolarHBondContact O-N 3.15Å; N3876-A3878 PolarHBondContact O-N 3.41Å
3877	R	25.6	Very low	29.5	Very low	230.5 Å²	230.5	148.4 Å²	148.4	87%	0.87	79%	0.786	S	S	*	*			trans	-48.2	102.4	160.9	-160.4	179.6	-147.1	168.4	6.2	108.6	I3875 C3879	I3875-R3877 PolarHBondContact O-N 3.12Å; R3877-C3879 VanDerWaalsContact C-N 3.34Å; R3877-C3879 PolarHBondContact O-N 2.97Å
3878	A	27.9	Very low	29.4	Very low	92.5 Å²	92.5	146 Å²	146	76%	0.764	79%	0.789	S	S	*	*			trans	-57.7	105	-179.3	0	0	0	0	0	110.4	N3876 S3880	N3876-A3878 PolarHBondContact O-N 3.41Å; A3878-S3880 VanDerWaalsContact C-N 3.28Å; A3878-S3880 PolarHBondContact O-N 3.12Å
3879	C	25	Very low	29.3	Very low	118.5 Å²	118.5	148.6 Å²	148.6	80%	0.801	79%	0.787	S	S	*	*			trans	-73.2	87.4	164.1	-75.8	0	0	0	0	108	R3877 R3881	R3877-C3879 VanDerWaalsContact C-N 3.34Å; R3877-C3879 PolarHBondContact O-N 2.97Å; C3879-R3881 PolarHBondContact O-N 3.33Å
3880	S	29.4	Very low	29.3	Very low	106 Å²	106	148.5 Å²	148.5	74%	0.741	79%	0.787	S	S	*	*			trans	-65	87.2	172.2	178.1	0	0	0	0	109.9	A3878 Q3882	A3878-S3880 VanDerWaalsContact C-N 3.28Å; A3878-S3880 PolarHBondContact O-N 3.12Å; S3880-Q3882 PolarHBondContact O-N 3.2Å
3881	R	28.9	Very low	29.1	Very low	230 Å²	230	153.5 Å²	153.5	87%	0.868	79%	0.79	S	S	*	*			trans	-99.9	96.6	161.9	-76	-176.4	163.4	-127.4	-2.6	107.1	C3879 P3883	C3879-R3881 PolarHBondContact O-N 3.33Å; R3881-P3883 WeakPolarHBondContact O-CD 3.41Å
3882	Q	31.4	Very low	29.1	Very low	175 Å²	175	155.9 Å²	155.9	82%	0.818	79%	0.794	S	S	*	*			trans	-63.8	120.1	172.8	-65.9	-162.9	-64.3	0	0	109.8	S3880 S3884	S3880-Q3882 PolarHBondContact O-N 3.2Å; Q3882-S3884 PolarHBondContact O-N 3Å; Q3882-S3884 VanDerWaalsContact O-N 3.12Å
3883	P	29.9	Very low	29.1	Very low	111 Å²	111	159.1 Å²	159.1	72%	0.721	80%	0.803	S	S	*	*			trans	-70	107.7	165	28.2	-30.6	0	0	0	108.2	R3881 L3885	R3881-P3883 WeakPolarHBondContact O-CD 3.41Å; P3883-L3885 VanDerWaalsContact C-N 3.28Å; P3883-L3885 PolarHBondContact O-N 2.96Å
3884	S	29.2	Very low	29	Very low	94.5 Å²	94.5	156.9 Å²	156.9	66%	0.661	80%	0.798	S	S	*	*			trans	-64.8	90.2	171.2	161.6	0	0	0	0	109.7	Q3882 R3886	Q3882-S3884 PolarHBondContact O-N 3Å; Q3882-S3884 VanDerWaalsContact O-N 3.12Å; S3884-R3886 PolarHBondContact O-N 3.17Å
3885	L	33.3	Very low	29	Very low	160 Å²	160	157.2 Å²	157.2	84%	0.838	81%	0.81	S	S	*	*			trans	-65.9	83.8	165.1	-68	177.6	0	0	0	109.2	P3883 T3887	P3883-L3885 VanDerWaalsContact C-N 3.28Å; P3883-L3885 PolarHBondContact O-N 2.96Å; L3885-T3887 PolarHBondContact O-N 3.01Å; L3885-T3887 VanDerWaalsContact O-N 3.14Å
3886	R	31.1	Very low	28.9	Very low	216.5 Å²	216.5	152.5 Å²	152.5	82%	0.817	80%	0.803	S	S	*	*			trans	-69.7	109.8	166.5	-79	-170.8	179.5	-173.2	0.9	108.6	S3884 C3888	S3884-R3886 PolarHBondContact O-N 3.17Å; R3886-C3888 VanDerWaalsContact C-N 3.31Å; R3886-C3888 PolarHBondContact O-N 3.06Å
3887	T	32	Very low	29	Very low	129.5 Å²	129.5	152.6 Å²	152.6	79%	0.794	81%	0.809	S	S	*	*			trans	-57.8	87.4	172.8	-36.4	0	0	0	0	111.4	L3885 R3889	L3885-T3887 PolarHBondContact O-N 3.01Å; L3885-T3887 VanDerWaalsContact O-N 3.14Å; T3887-R3889 VanDerWaalsContact C-N 3.26Å; T3887-R3889 HydrophobicContact CG2-CB 4.39Å; T3887-R3889 PolarHBondContact O-N 3.02Å
3888	C	30.2	Very low	29	Very low	124 Å²	124	145.4 Å²	145.4	84%	0.838	81%	0.806	S	S	*	*			trans	-84.7	78.1	166.8	-77.2	0	0	0	0	109.8	R3886 L3890	R3886-C3888 VanDerWaalsContact C-N 3.31Å; R3886-C3888 PolarHBondContact O-N 3.06Å; C3888-L3890 VanDerWaalsContact C-N 3.35Å; C3888-L3890 PolarHBondContact O-N 3.48Å
3889	R	26.7	Very low	29.1	Very low	223 Å²	223	143.9 Å²	143.9	84%	0.842	80%	0.799	S	S	*	*			trans	-75.2	93.5	172.6	-175.6	-179.5	-175.7	157.7	1.9	109.3	T3887	T3887-R3889 VanDerWaalsContact C-N 3.26Å; T3887-R3889 HydrophobicContact CG2-CB 4.39Å; T3887-R3889 PolarHBondContact O-N 3.02Å
3890	L	29	Very low	29.2	Very low	139.5 Å²	139.5	148.7 Å²	148.7	73%	0.73	81%	0.807	S	S	*	*			trans	-122	119.6	164.8	-128.8	71.3	0	0	0	112.5	C3888 Y3892	C3888-L3890 VanDerWaalsContact C-N 3.35Å; C3888-L3890 PolarHBondContact O-N 3.48Å; L3890-Y3892 PolarHBondContact O-N 2.88Å
3891	R	27.2	Very low	29.1	Very low	224 Å²	224	147.3 Å²	147.3	85%	0.845	81%	0.81	S	S	*	*			trans	-7.6	103.9	164.7	-61.3	174.2	-157	-170.3	7.6	114.7
3892	Y	25.9	Very low	29.1	Very low	215 Å²	215	141.6 Å²	141.6	84%	0.843	81%	0.805	S	S	*	*			trans	-63.6	108.1	150	-86.2	-98	0	0	0	112.1	L3890	L3890-Y3892 PolarHBondContact O-N 2.88Å
3893	N	30	Very low	28.9	Very low	169.5 Å²	169.5	137.1 Å²	137.1	91%	0.906	81%	0.805	S	S	*	*			trans	-143	112.1	146.3	-95.8	20.4	0	0	0	109.2
3894	G	29	Very low	29.1	Very low	67.5 Å²	67.5	138.5 Å²	138.5	70%	0.696	81%	0.806	S	S	*	*			trans	136.2	87.9	175.7	0	0	0	0	0	113.6	G3896	G3894-G3896 PolarHBondContact O-N 3.03Å
3895	T	28.2	Very low	29.1	Very low	157 Å²	157	137.9 Å²	137.9	96%	0.963	81%	0.814	S	S	*	*				-5.7	107.9	122.5	-42.1	0	0	0	0	111.5
3896	G	28.5	Very low	29.1	Very low	66 Å²	66	134.8 Å²	134.8	68%	0.68	81%	0.806	S	S	*	*			trans	156.6	87.9	170	0	0	0	0	0	115.6	G3894	G3894-G3896 PolarHBondContact O-N 3.03Å
3897	V	30.7	Very low	29.2	Very low	155.5 Å²	155.5	133 Å²	133	94%	0.942	81%	0.806	S	S	*	*			trans	24.7	106.8	137.9	-168.7	0	0	0	0	117.1
3898	G	26.9	Very low	29.2	Very low	78.5 Å²	78.5	132.5 Å²	132.5	81%	0.809	80%	0.803	S	S	*	*			trans	120.2	79.2	155.4	0	0	0	0	0	114.6
3899	G	28	Very low	29.2	Very low	61 Å²	61	132.3 Å²	132.3	63%	0.629	80%	0.798	S	S	*	*			trans	-117.6	124.6	176.6	0	0	0	0	0	113
3900	F	28.6	Very low	29.3	Very low	219.5 Å²	219.5	127.1 Å²	127.1	96%	0.963	79%	0.792	S	S	*	*			trans	49.7	78.7	152	-49.6	-73.5	0	0	0	117.3
3901	G	26.8	Very low	29.5	Very low	77.5 Å²	77.5	125.9 Å²	125.9	80%	0.799	79%	0.79	S	S	*	*			trans	-127.5	78.2	166.2	0	0	0	0	0	112
3902	S	28.6	Very low	29.7	Very low	109.5 Å²	109.5	121.2 Å²	121.2	77%	0.766	79%	0.786	S	S	*	*			trans	-27.8	103.5	163.1	-128.8	0	0	0	0	113.5	I3904	S3902-I3904 VanDerWaalsContact C-N 3.27Å; S3902-I3904 PolarHBondContact O-N 2.93Å
3903	G	27.3	Very low	30.3	Very low	80.5 Å²	80.5	116.3 Å²	116.3	83%	0.83	78%	0.778	S	S	*	*				1.3	63.9	111.5	0	0	0	0	0	110.8	G3905	G3903-G3905 PolarHBondContact O-N 3.11Å
3904	I	33.9	Very low	30.7	Very low	141.5 Å²	141.5	112 Å²	112	73%	0.726	76%	0.762	S	S	*	*			trans	-83	103.9	156.7	48.8	169.5	0	0	0	106.8	S3902 S3906	S3902-I3904 VanDerWaalsContact C-N 3.27Å; S3902-I3904 PolarHBondContact O-N 2.93Å; I3904-S3906 VanDerWaalsContact C-N 3.28Å; I3904-S3906 PolarHBondContact O-N 2.93Å
3905	G	29.5	Very low	31.1	Very low	81.5 Å²	81.5	117.3 Å²	117.3	84%	0.84	77%	0.768	S	S	*	*			trans	-60.8	95.2	171.7	0	0	0	0	0	108.2	G3903 E3907	G3903-G3905 PolarHBondContact O-N 3.11Å; G3905-E3907 PolarHBondContact O-N 3.42Å
3906	S	34	Very low	31.8	Very low	94.5 Å²	94.5	116.2 Å²	116.2	66%	0.661	76%	0.756	S	S	*	*			trans	-71.1	103.4	169.5	-56.4	0	0	0	0	105.7	I3904 T3908	I3904-S3906 VanDerWaalsContact C-N 3.28Å; I3904-S3906 PolarHBondContact O-N 2.93Å; S3906-T3908 VanDerWaalsContact C-N 3.32Å; S3906-T3908 PolarHBondContact O-N 2.8Å
3907	E	31.7	Very low	32.7	Very low	178 Å²	178	119.5 Å²	119.5	83%	0.832	76%	0.758	S	S	*	*			trans	-53.2	104.7	166.8	-176.1	172.1	-167	0	0	107	G3905 V3909	G3905-E3907 PolarHBondContact O-N 3.42Å; E3907-V3909 VanDerWaalsContact C-N 3.27Å; E3907-V3909 PolarHBondContact O-N 3.2Å
3908	T	31.9	Very low	33.8	Very low	118.5 Å²	118.5	120.5 Å²	120.5	73%	0.727	75%	0.753	S	S	*	*			trans	-68.8	96.1	177.9	45.2	0	0	0	0	107.1	S3906 T3910	S3906-T3908 VanDerWaalsContact C-N 3.32Å; S3906-T3908 PolarHBondContact O-N 2.8Å; T3908-T3910 VanDerWaalsContact C-N 3.27Å; T3908-T3910 PolarHBondContact O-N 3.22Å
3909	V	31.2	Very low	35.1	Very low	120 Å²	120	122.8 Å²	122.8	73%	0.727	75%	0.746	S	S	*	*			trans	-61.2	96.6	165	-179.6	0	0	0	0	106.5	E3907 T3911	E3907-V3909 VanDerWaalsContact C-N 3.27Å; E3907-V3909 PolarHBondContact O-N 3.2Å; V3909-T3911 VanDerWaalsContact C-N 3.29Å; V3909-T3911 HydrophobicContact CG1-CG2 4.47Å; V3909-T3911 PolarHBondContact O-N 3.19Å
3910	T	29.1	Very low	36.4	Very low	115.5 Å²	115.5	127.2 Å²	127.2	71%	0.709	76%	0.755	S	S	*	*			trans	-66.2	92.6	166.7	42	0	0	0	0	107.3	T3908 V3912	T3908-T3910 VanDerWaalsContact C-N 3.27Å; T3908-T3910 PolarHBondContact O-N 3.22Å; T3910-V3912 VanDerWaalsContact C-N 3.31Å; T3910-V3912 PolarHBondContact O-N 3.36Å
3911	T	33.2	Very low	37.7	Very low	114 Å²	114	124 Å²	124	70%	0.699	75%	0.748	S	S	*	*			trans	-60.7	100.6	159.4	40.6	0	0	0	0	107	V3909 T3913	V3909-T3911 VanDerWaalsContact C-N 3.29Å; V3909-T3911 HydrophobicContact CG1-CG2 4.47Å; V3909-T3911 PolarHBondContact O-N 3.19Å; T3911-T3913 VanDerWaalsContact C-N 3.27Å; T3911-T3913 PolarHBondContact O-N 3.13Å
3912	V	30.9	Very low	38.9	Very low	125.5 Å²	125.5	125.3 Å²	125.3	76%	0.761	74%	0.737	S	S	*	*			trans	-68	95.4	167.8	-169.1	0	0	0	0	105.6	T3910 S3914	T3910-V3912 VanDerWaalsContact C-N 3.31Å; T3910-V3912 PolarHBondContact O-N 3.36Å; V3912-S3914 PolarHBondContact O-N 3.12Å
3913	T	38.3	Very low	39.9	Very low	111 Å²	111	128 Å²	128	68%	0.681	74%	0.737	S	S	*	*			trans	-69	84.9	162.5	53	0	0	0	0	106	T3911 Q3915	T3911-T3913 VanDerWaalsContact C-N 3.27Å; T3911-T3913 PolarHBondContact O-N 3.13Å; T3913-Q3915 PolarHBondContact O-N 3.12Å
3914	S	37.6	Very low	40.7	Very low	80 Å²	80	132.6 Å²	132.6	56%	0.559	73%	0.729	S	S	*	*			trans	-59.6	98.4	154.5	51.5	0	0	0	0	105.2	V3912 L3916	V3912-S3914 PolarHBondContact O-N 3.12Å; S3914-L3916 PolarHBondContact O-N 2.95Å
3915	Q	37.8	Very low	41.1	Very low	178 Å²	178	130.2 Å²	130.2	83%	0.832	73%	0.731	S	S	*	*			trans	-58.4	87.1	155.1	-69.1	172.8	-26.6	0	0	104.5	T3913 D3917	T3913-Q3915 PolarHBondContact O-N 3.12Å; Q3915-D3917 PolarHBondContact O-N 2.93Å
3916	L	43	Very low	41.9	Very low	135 Å²	135	134.4 Å²	134.4	71%	0.707	73%	0.727	S	S	*	*			trans	-71.2	118.2	161.8	-62.2	176.6	0	0	0	103.1	S3914 E3918	S3914-L3916 PolarHBondContact O-N 2.95Å; L3916-E3918 PolarHBondContact O-N 3.32Å
3917	D	48.2	Very low	42.4	Very low	134.5 Å²	134.5	136.2 Å²	136.2	72%	0.719	73%	0.729	S	S	*	*			trans	-48.3	110.7	167.7	-79.8	-36.4	0	0	0	107.2	Q3915 D3919	Q3915-D3917 PolarHBondContact O-N 2.93Å; D3917-D3919 HydrophobicContact CB-CB 4.38Å; D3917-D3919 PolarHBondContact O-N 3.11Å; D3917-D3919 VanDerWaalsContact O-N 3.13Å
3918	E	53.7	Low	43.2	Very low	177.5 Å²	177.5	135.2 Å²	135.2	83%	0.829	73%	0.726	S	S	*	*			trans	-79.5	20.2	169.7	-66.3	-174.5	161.5	0	0	110.1	L3916 D3920	L3916-E3918 PolarHBondContact O-N 3.32Å; E3918-D3920 PolarHBondContact O-N 3.19Å
3919	D	54.5	Low	43.7	Very low	126.5 Å²	126.5	135.7 Å²	135.7	68%	0.676	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	12.3	-174.1	-74.2	-6.6	0	0	0	113.5	D3917	D3917-D3919 HydrophobicContact CB-CB 4.38Å; D3917-D3919 PolarHBondContact O-N 3.11Å; D3917-D3919 VanDerWaalsContact O-N 3.13Å
3920	D	54.8	Low	44.4	Very low	152.5 Å²	152.5	137 Å²	137	82%	0.816	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	6.3	175.1	-92.3	-14.2	0	0	0	113.6	E3918 D3922	E3918-D3920 PolarHBondContact O-N 3.19Å; D3920-D3922 PolarHBondContact O-N 2.96Å; D3920-D3922 VanDerWaalsContact O-N 3.14Å
3921	D	56.1	Low	44.8	Very low	151.5 Å²	151.5	133.8 Å²	133.8	81%	0.81	72%	0.717	S	S	*	*			trans	-78.2	16.4	166.7	-90.8	-14.6	0	0	0	112.5	E3923	D3921-E3923 PolarHBondContact O-N 3.28Å
3922	D	52.1	Low	45.2	Very low	106 Å²	106	136.3 Å²	136.3	57%	0.567	72%	0.721	S	S	*	*			trans	-70.4	39.2	158.5	-106.2	31.7	0	0	0	111.4	D3920 R3924	D3920-D3922 PolarHBondContact O-N 2.96Å; D3920-D3922 VanDerWaalsContact O-N 3.14Å; D3922-R3924 PolarHBondContact O-N 2.8Å; D3922-R3924 IonicContact OD2-CZ 2.81Å; D3922-R3924 IonicContact OD2-NE 2.82Å; D3922-R3924 PolarHBondContact OD2-NE 2.77Å; D3922-R3924 IonicContact OD2-NH2 3.61Å; D3922-R3924 PolarHBondContact OD2-NH2 3.27Å
3923	E	48.6	Very low	45.6	Very low	165.5 Å²	165.5	140.5 Å²	140.5	77%	0.773	73%	0.725	S	S	*	*			trans	-63.9	68.2	143.3	-74.4	-97.2	-169	0	0	106.1	D3921 A3925	D3921-E3923 PolarHBondContact O-N 3.28Å; E3923-A3925 VanDerWaalsContact C-N 3.34Å; E3923-A3925 PolarHBondContact O-N 2.99Å
3924	R	43.6	Very low	45.7	Very low	177 Å²	177	141.7 Å²	141.7	67%	0.668	73%	0.727	S	S	*	*			trans	-42.3	116.8	158.6	-76.5	174.1	-167.5	-114	-11	103.5	D3922 F3926	D3922-R3924 PolarHBondContact O-N 2.8Å; D3922-R3924 IonicContact OD2-CZ 2.81Å; D3922-R3924 IonicContact OD2-NE 2.82Å; D3922-R3924 PolarHBondContact OD2-NE 2.77Å; D3922-R3924 IonicContact OD2-NH2 3.61Å; D3922-R3924 PolarHBondContact OD2-NH2 3.27Å; R3924-F3926 PolarHBondContact O-N 3.15Å
3925	A	43.8	Very low	45.9	Very low	91.5 Å²	91.5	144.4 Å²	144.4	76%	0.756	73%	0.733	S	S	*	*			trans	-40.1	101.1	150.9	0	0	0	0	0	104.8	E3923 D3927	E3923-A3925 VanDerWaalsContact C-N 3.34Å; E3923-A3925 PolarHBondContact O-N 2.99Å; A3925-D3927 PolarHBondContact O-N 2.99Å
3926	F	46.4	Very low	45.9	Very low	170.5 Å²	170.5	142.2 Å²	142.2	75%	0.748	73%	0.727	S	S	*	*			trans	-60.1	94.8	160	-82.9	-85.3	0	0	0	101.4	R3924 M3928	R3924-F3926 PolarHBondContact O-N 3.15Å; F3926-M3928 PolarHBondContact O-N 2.87Å
3927	D	44.4	Very low	45.7	Very low	132 Å²	132	142.3 Å²	142.3	71%	0.706	73%	0.728	S	S	*	*			trans	-43.6	100.3	164.1	-164.7	8.1	0	0	0	103	A3925 N3929	A3925-D3927 PolarHBondContact O-N 2.99Å; D3927-N3929 PolarHBondContact O-N 2.88Å; D3927-N3929 PolarHBondContact OD1-N 2.87Å
3928	M	48.8	Very low	45.1	Very low	157 Å²	157	144.8 Å²	144.8	77%	0.773	73%	0.733	S	S	*	*			trans	-72.1	58.3	166.5	-66.6	-73.7	-178.4	0	0	104.5	F3926 N3930	F3926-M3928 PolarHBondContact O-N 2.87Å; M3928-N3930 PolarHBondContact O-N 2.73Å; M3928-N3930 PolarHBondContact O-OD1 2.83Å
3929	N	42.2	Very low	44.2	Very low	128 Å²	128	144.2 Å²	144.2	68%	0.684	73%	0.73	S	S	*	*			trans	-58.4	115.1	161.4	-166.4	-11	0	0	0	102.7	D3927 G3931	D3927-N3929 PolarHBondContact O-N 2.88Å; D3927-N3929 PolarHBondContact OD1-N 2.87Å; N3929-G3931 PolarHBondContact O-N 3.11Å
3930	N	45.8	Very low	43.4	Very low	148 Å²	148	147.3 Å²	147.3	79%	0.791	74%	0.74	S	S	*	*			trans	-71.3	58.1	-173.8	-62.1	-45	0	0	0	109.4	M3928 E3932	M3928-N3930 PolarHBondContact O-N 2.73Å; M3928-N3930 PolarHBondContact O-OD1 2.83Å; N3930-E3932 PolarHBondContact O-N 2.96Å
3931	G	38.1	Very low	42.4	Very low	48.5 Å²	48.5	146.3 Å²	146.3	50%	0.5	73%	0.734	S	S	.	*			trans	-67.5	78.5	166.3	0	0	0	0	0	107.4	N3929 Y3933	N3929-G3931 PolarHBondContact O-N 3.11Å; G3931-Y3933 VanDerWaalsContact C-N 3.28Å; G3931-Y3933 PolarHBondContact O-N 3Å
3932	E	39.7	Very low	41.1	Very low	166.5 Å²	166.5	142.6 Å²	142.6	78%	0.778	73%	0.733	S	S	*	*				15.2	78.5	126.8	-160.8	160.3	-147.5	0	0	111.6	N3930 D3934	N3930-E3932 PolarHBondContact O-N 2.96Å; E3932-D3934 VanDerWaalsContact C-N 3.28Å; E3932-D3934 PolarHBondContact O-N 3.14Å; E3932-D3934 VanDerWaalsContact O-N 3.09Å
3933	Y	39.7	Very low	40.3	Very low	214.5 Å²	214.5	144.2 Å²	144.2	84%	0.841	74%	0.74	S	S	*	*			trans	-67.8	103.1	156.9	-82.5	-85.1	0	0	0	104.6	G3931 I3935	G3931-Y3933 VanDerWaalsContact C-N 3.28Å; G3931-Y3933 PolarHBondContact O-N 3Å; Y3933-I3935 PolarHBondContact O-N 3.21Å
3934	D	41.3	Very low	39.4	Very low	135.5 Å²	135.5	142.6 Å²	142.6	73%	0.725	74%	0.736	S	S	*	*			trans	-55.7	74.8	160.1	-78.3	-34.3	0	0	0	108.4	E3932 D3936	E3932-D3934 VanDerWaalsContact C-N 3.28Å; E3932-D3934 PolarHBondContact O-N 3.14Å; E3932-D3934 VanDerWaalsContact O-N 3.09Å; D3934-D3936 PolarHBondContact O-N 3.35Å
3935	I	41.5	Very low	38.6	Very low	136 Å²	136	141.5 Å²	141.5	70%	0.697	74%	0.744	S	S	*	*			trans	-73.7	105.8	157.5	-60	175.4	0	0	0	102.5	Y3933 L3937	Y3933-I3935 PolarHBondContact O-N 3.21Å; I3935-L3937 PolarHBondContact O-N 3.12Å
3936	D	38.2	Very low	37.9	Very low	132 Å²	132	145.1 Å²	145.1	71%	0.706	75%	0.751	S	S	*	*			trans	-54	77.4	169.3	-73.2	-46.9	0	0	0	109.2	D3934 F3938	D3934-D3936 PolarHBondContact O-N 3.35Å; D3936-F3938 HydrophobicContact CB-CE2 4.31Å; D3936-F3938 VanDerWaalsContact O-CD2 3.22Å; D3936-F3938 WeakPolarHBondContact O-CD2 3.47Å; D3936-F3938 PolarHBondContact O-N 3.12Å
3937	L	37.9	Very low	37.1	Very low	138 Å²	138	140.7 Å²	140.7	72%	0.723	75%	0.753	S	S	*	*			trans	-75.5	88.1	172.6	-157.9	75.2	0	0	0	104.2	I3935 H3939	I3935-L3937 PolarHBondContact O-N 3.12Å; L3937-H3939 VanDerWaalsContact C-N 3.34Å; L3937-H3939 PolarHBondContact O-N 3.41Å; L3937-H3939 PolarHBondContact O-ND1 3.33Å
3938	F	35.2	Very low	36.3	Very low	187 Å²	187	139.5 Å²	139.5	82%	0.82	76%	0.755	S	S	*	*			trans	-43.3	109.2	171.7	-75.4	-86.9	0	0	0	107.5	D3936 E3940	D3936-F3938 HydrophobicContact CB-CE2 4.31Å; D3936-F3938 VanDerWaalsContact O-CD2 3.22Å; D3936-F3938 WeakPolarHBondContact O-CD2 3.47Å; D3936-F3938 PolarHBondContact O-N 3.12Å; F3938-E3940 PolarHBondContact O-N 2.92Å
3939	H	34.7	Very low	35.3	Very low	165 Å²	165	141.9 Å²	141.9	76%	0.764	76%	0.757	S	S	*	*			trans	-63.5	97.1	178.1	-77	48.8	0	0	0	107	L3937 N3941	L3937-H3939 VanDerWaalsContact C-N 3.34Å; L3937-H3939 PolarHBondContact O-N 3.41Å; L3937-H3939 PolarHBondContact O-ND1 3.33Å; H3939-N3941 PolarHBondContact O-N 2.98Å
3940	E	38.3	Very low	34.7	Very low	191.5 Å²	191.5	142.2 Å²	142.2	90%	0.895	76%	0.759	S	S	*	*			trans	-65.7	82.9	165.7	-170.6	177	-177	0	0	106.7	F3938 G3942	F3938-E3940 PolarHBondContact O-N 2.92Å; E3940-G3942 PolarHBondContact O-N 3.01Å
3941	N	33.8	Very low	34	Very low	130 Å²	130	142 Å²	142	70%	0.695	76%	0.756	S	S	*	*			trans	-58.2	104.2	177	-84.9	-18.9	0	0	0	108.5	H3939 I3943	H3939-N3941 PolarHBondContact O-N 2.98Å; N3941-I3943 VanDerWaalsContact C-N 3.28Å; N3941-I3943 PolarHBondContact O-N 3.08Å
3942	G	29.4	Very low	33.6	Very low	75.5 Å²	75.5	145.8 Å²	145.8	78%	0.778	77%	0.765	S	S	*	*			trans	-57.4	101.1	175.4	0	0	0	0	0	111.1	E3940 N3944	E3940-G3942 PolarHBondContact O-N 3.01Å; G3942-N3944 VanDerWaalsContact C-N 3.28Å; G3942-N3944 PolarHBondContact O-N 3.06Å
3943	I	35.1	Very low	33	Very low	139 Å²	139	145 Å²	145	71%	0.713	77%	0.766	S	S	*	*			trans	-99.8	92.9	168.6	-62.4	-178.3	0	0	0	107.7	N3941 N3945	N3941-I3943 VanDerWaalsContact C-N 3.28Å; N3941-I3943 PolarHBondContact O-N 3.08Å; I3943-N3945 PolarHBondContact O-N 3.07Å
3944	N	29.2	Very low	32.6	Very low	131 Å²	131	143.3 Å²	143.3	70%	0.701	77%	0.766	S	S	*	*			trans	20.3	112.5	150.6	62.2	4.6	0	0	0	119.4	G3942 N3946	G3942-N3944 VanDerWaalsContact C-N 3.28Å; G3942-N3944 PolarHBondContact O-N 3.06Å; N3944-N3946 PolarHBondContact O-N 3.47Å
3945	N	27.7	Very low	32	Very low	155.5 Å²	155.5	142.4 Å²	142.4	83%	0.832	77%	0.77	S	S	*	*	S	Bend	trans	-12.5	116	143.7	-72.8	-38.7	0	0	0	116.1	I3943	I3943-N3945 PolarHBondContact O-N 3.07Å
3946	N	29.1	Very low	31.3	Very low	167 Å²	167	139.1 Å²	139.1	89%	0.893	77%	0.769	S	S	*	*			trans	131.7	82.1	153.5	-84.7	-25.3	0	0	0	114	N3944	N3944-N3946 PolarHBondContact O-N 3.47Å
3947	G	29.6	Very low	30.8	Very low	77.5 Å²	77.5	141.5 Å²	141.5	80%	0.799	78%	0.776	S	S	*	*			trans	-162.9	90.7	173	0	0	0	0	0	112.6
3948	S	27	Very low	30.2	Very low	106.5 Å²	106.5	144.4 Å²	144.4	75%	0.745	78%	0.783	S	S	*	*			trans	-36.7	132.8	172.1	152.2	0	0	0	0	115.2
3949	Y	27.2	Very low	29.7	Very low	207.5 Å²	207.5	140.7 Å²	140.7	81%	0.814	78%	0.781	S	S	*	*			trans	24.7	117.1	147.9	-71.1	-93.8	0	0	0	118.3
3950	N	30.2	Very low	29.4	Very low	135 Å²	135	139.1 Å²	139.1	72%	0.722	78%	0.783	S	S	*	*			trans	-159.8	95.9	132.1	-125.7	-29.5	0	0	0	111	N3952	N3950-N3952 PolarHBondContact O-N 3.15Å; N3950-N3952 VanDerWaalsContact O-N 3.12Å; N3950-N3952 PolarHBondContact OD1-ND2 3.03Å
3951	I	30.5	Very low	28.7	Very low	144 Å²	144	141.5 Å²	141.5	74%	0.738	78%	0.784	S	S	*	*			trans	-80.5	89.1	168	-59.8	170.3	0	0	0	106.5
3952	N	31.5	Very low	28.4	Very low	128 Å²	128	140.5 Å²	140.5	68%	0.684	79%	0.787	S	S	*	*			trans	-107.1	108	165.7	-74.1	-40.3	0	0	0	108.6	N3950 E3954	N3950-N3952 PolarHBondContact O-N 3.15Å; N3950-N3952 VanDerWaalsContact O-N 3.12Å; N3950-N3952 PolarHBondContact OD1-ND2 3.03Å; N3952-E3954 PolarHBondContact O-N 3.13Å; N3952-E3954 VanDerWaalsContact O-N 3.08Å
3953	N	26	Very low	28.1	Very low	149 Å²	149	139.7 Å²	139.7	80%	0.797	78%	0.778	S	S	*	*			trans	-58.9	110.1	170.9	-68.9	-48.4	0	0	0	110.6
3954	E	31.2	Very low	27.8	Very low	179.5 Å²	179.5	143 Å²	143	84%	0.839	79%	0.788	S	S	*	*			trans	-148.6	94.2	154.8	-90.5	-179.3	179.8	0	0	111.1	N3952 G3956	N3952-E3954 PolarHBondContact O-N 3.13Å; N3952-E3954 VanDerWaalsContact O-N 3.08Å; E3954-G3956 PolarHBondContact O-N 3.26Å
3955	S	28.7	Very low	27.8	Very low	116 Å²	116	144.8 Å²	144.8	81%	0.811	79%	0.792	S	S	*	*			trans	29.6	80.5	143.8	57.5	0	0	0	0	118.9	Q3957	S3955-Q3957 PolarHBondContact O-N 2.84Å
3956	G	26.4	Very low	27.8	Very low	67 Å²	67	140.7 Å²	140.7	69%	0.691	79%	0.787	S	S	*	*			trans	-109	79.3	162.6	0	0	0	0	0	111.2	E3954 F3958	E3954-G3956 PolarHBondContact O-N 3.26Å; G3956-F3958 PolarHBondContact O-N 2.93Å; G3956-F3958 VanDerWaalsContact O-N 3.09Å
3957	Q	27.7	Very low	27.9	Very low	181.5 Å²	181.5	138.6 Å²	138.6	85%	0.848	78%	0.775	S	S	*	*			trans	-66.5	99.6	177.7	-72.5	176.1	2.1	0	0	111.4	S3955 S3959	S3955-Q3957 PolarHBondContact O-N 2.84Å; Q3957-S3959 PolarHBondContact O-N 3.11Å
3958	F	25.5	Very low	28	Very low	198.5 Å²	198.5	143.6 Å²	143.6	87%	0.871	78%	0.778	S	S	*	*			trans	-89.2	90.5	158.1	-84.5	-79.2	0	0	0	109.6	G3956 T3960	G3956-F3958 PolarHBondContact O-N 2.93Å; G3956-F3958 VanDerWaalsContact O-N 3.09Å; F3958-T3960 VanDerWaalsContact C-N 3.28Å; F3958-T3960 PolarHBondContact O-N 3.07Å
3959	S	25.7	Very low	28.1	Very low	109.5 Å²	109.5	148.1 Å²	148.1	77%	0.766	78%	0.78	S	S	*	*			trans	-69.4	91.8	169.3	-73.7	0	0	0	0	110.7	Q3957 R3961	Q3957-S3959 PolarHBondContact O-N 3.11Å; S3959-R3961 PolarHBondContact O-N 3.43Å
3960	T	28.1	Very low	28.5	Very low	133 Å²	133	145.3 Å²	145.3	82%	0.816	78%	0.777	S	S	*	*			trans	-74.1	95.3	161.5	39.1	0	0	0	0	109.5	F3958 S3962	F3958-T3960 VanDerWaalsContact C-N 3.28Å; F3958-T3960 PolarHBondContact O-N 3.07Å; T3960-S3962 PolarHBondContact O-N 3.33Å; T3960-S3962 VanDerWaalsContact O-N 3.13Å
3961	R	23.1	Very low	28.8	Very low	242 Å²	242	144.8 Å²	144.8	91%	0.913	78%	0.779	S	S	*	*			trans	-42.8	97.3	172.7	-172.3	-179.2	-176.6	-152.4	1.6	112.2	S3959 G3963	S3959-R3961 PolarHBondContact O-N 3.43Å; R3961-G3963 PolarHBondContact O-N 3.15Å
3962	S	27.1	Very low	28.9	Very low	108.5 Å²	108.5	145.1 Å²	145.1	76%	0.759	78%	0.782	S	S	*	*			trans	-71.2	96.9	167.5	60.6	0	0	0	0	109.9	T3960 F3964	T3960-S3962 PolarHBondContact O-N 3.33Å; T3960-S3962 VanDerWaalsContact O-N 3.13Å; S3962-F3964 PolarHBondContact O-N 2.78Å
3963	G	24	Very low	28.9	Very low	58 Å²	58	141.5 Å²	141.5	60%	0.598	78%	0.776	S	S	*	*			trans	-110.2	113	169.4	0	0	0	0	0	109.4	R3961	R3961-G3963 PolarHBondContact O-N 3.15Å
3964	F	28.9	Very low	29.1	Very low	209 Å²	209	143 Å²	143	92%	0.917	78%	0.778	S	S	*	*			trans	133.2	69.2	167.1	-81.1	-76.7	0	0	0	112.6	S3962 G3966	S3962-F3964 PolarHBondContact O-N 2.78Å; F3964-G3966 PolarHBondContact O-N 3.13Å
3965	H	28.8	Very low	29.1	Very low	168.5 Å²	168.5	139.1 Å²	139.1	78%	0.78	77%	0.766	S	S	*	*			trans	-82.8	104.7	148.9	-88.7	57.2	0	0	0	107.1	D3967	H3965-D3967 IonicContact CD2-OD1 2.63Å
3966	G	27.9	Very low	29.3	Very low	70 Å²	70	138.3 Å²	138.3	72%	0.722	76%	0.758	S	S	*	*			trans	-97.5	105.3	160.2	0	0	0	0	0	107	F3964 E3968	F3964-G3966 PolarHBondContact O-N 3.13Å; G3966-E3968 VanDerWaalsContact C-N 3.34Å; G3966-E3968 PolarHBondContact O-N 3.12Å
3967	D	30.5	Very low	29.4	Very low	121.5 Å²	121.5	145.9 Å²	145.9	65%	0.65	77%	0.766	S	S	*	*			trans	-69.6	77.6	-179.4	-61	-33.6	0	0	0	110.6	H3965 Y3969	H3965-D3967 IonicContact CD2-OD1 2.63Å; D3967-Y3969 HydrophobicContact CB-CE2 4.15Å; D3967-Y3969 VanDerWaalsContact O-CD2 3.26Å; D3967-Y3969 WeakPolarHBondContact O-CD2 3.46Å; D3967-Y3969 PolarHBondContact O-N 3.48Å; D3967-Y3969 VanDerWaalsContact O-N 3.14Å
3968	E	31.7	Very low	29.4	Very low	183 Å²	183	145.1 Å²	145.1	86%	0.855	76%	0.762	S	S	*	*			trans	-79.5	103.5	155.6	-94.8	-169	165.3	0	0	107.9	G3966 I3970	G3966-E3968 VanDerWaalsContact C-N 3.34Å; G3966-E3968 PolarHBondContact O-N 3.12Å; E3968-I3970 VanDerWaalsContact C-N 3.3Å; E3968-I3970 PolarHBondContact O-N 3.19Å
3969	Y	29.1	Very low	29.7	Very low	202 Å²	202	145 Å²	145	79%	0.792	76%	0.758	S	S	*	*			trans	-52.1	91.4	169.9	-64.6	-100	0	0	0	109.7	D3967 V3971	D3967-Y3969 HydrophobicContact CB-CE2 4.15Å; D3967-Y3969 VanDerWaalsContact O-CD2 3.26Å; D3967-Y3969 WeakPolarHBondContact O-CD2 3.46Å; D3967-Y3969 PolarHBondContact O-N 3.48Å; D3967-Y3969 VanDerWaalsContact O-N 3.14Å; Y3969-V3971 VanDerWaalsContact C-N 3.26Å; Y3969-V3971 PolarHBondContact O-N 3.14Å
3970	I	35.7	Very low	29.9	Very low	148 Å²	148	143.8 Å²	143.8	76%	0.759	74%	0.743	S	S	*	*			trans	-65	97.7	155.5	-60.5	174.8	0	0	0	104.2	E3968 D3972	E3968-I3970 VanDerWaalsContact C-N 3.3Å; E3968-I3970 PolarHBondContact O-N 3.19Å; I3970-D3972 PolarHBondContact O-N 3Å
3971	V	36.4	Very low	30.3	Very low	124 Å²	124	143.4 Å²	143.4	75%	0.752	74%	0.74	S	S	*	*			trans	-54.5	117.4	169.2	171.1	0	0	0	0	106.3	Y3969 G3973	Y3969-V3971 VanDerWaalsContact C-N 3.26Å; Y3969-V3971 PolarHBondContact O-N 3.14Å; V3971-G3973 PolarHBondContact O-N 3.02Å
3972	D	33.7	Very low	30.9	Very low	150 Å²	150	139.8 Å²	139.8	80%	0.802	73%	0.733	S	S	*	*			trans	-66	51.5	173.9	-65	-50.4	0	0	0	111.7	I3970 E3974	I3970-D3972 PolarHBondContact O-N 3Å; D3972-E3974 VanDerWaalsContact C-N 3.25Å; D3972-E3974 PolarHBondContact O-N 3.46Å; D3972-E3974 VanDerWaalsContact O-N 3.16Å
3973	G	29.7	Very low	31.2	Very low	53.5 Å²	53.5	141.5 Å²	141.5	55%	0.552	73%	0.727	S	S	*	*			trans	-78.6	78.6	160.9	0	0	0	0	0	107.5	V3971 V3975	V3971-G3973 PolarHBondContact O-N 3.02Å; G3973-V3975 VanDerWaalsContact C-N 3.27Å; G3973-V3975 PolarHBondContact O-N 3.06Å
3974	E	30.5	Very low	31.4	Very low	179.5 Å²	179.5	149.9 Å²	149.9	84%	0.839	74%	0.74	S	S	*	*			trans	-52.5	91.8	162.6	-68.1	-178.9	160.4	0	0	108.4	D3972 P3976	D3972-E3974 VanDerWaalsContact C-N 3.25Å; D3972-E3974 PolarHBondContact O-N 3.46Å; D3972-E3974 VanDerWaalsContact O-N 3.16Å; E3974-P3976 VanDerWaalsContact O-CD 3.25Å; E3974-P3976 WeakPolarHBondContact O-CD 3.38Å
3975	V	31.7	Very low	31.7	Very low	99 Å²	99	144.2 Å²	144.2	60%	0.6	72%	0.723	S	S	*	*			trans	-89.2	104.4	159.2	179.6	0	0	0	0	104.2	G3973 W3977	G3973-V3975 VanDerWaalsContact C-N 3.27Å; G3973-V3975 PolarHBondContact O-N 3.06Å; V3975-W3977 PolarHBondContact O-N 3.05Å
3976	P	32.5	Very low	31.8	Very low	98 Å²	98	144.8 Å²	144.8	64%	0.636	73%	0.726	S	S	*	*			trans	-63.5	111.5	179.5	-17.2	31.1	0	0	0	107.7	E3974 Q3978	E3974-P3976 VanDerWaalsContact O-CD 3.25Å; E3974-P3976 WeakPolarHBondContact O-CD 3.38Å; P3976-Q3978 HydrophobicContact CB-CB 4.35Å; P3976-Q3978 PolarHBondContact O-N 3.3Å
3977	W	28.2	Very low	32	Very low	226 Å²	226	149.5 Å²	149.5	86%	0.856	73%	0.729	S	S	*	*			trans	-74.2	36.4	169.6	-67	90.5	0	0	0	111.2	V3975 Y3979	V3975-W3977 PolarHBondContact O-N 3.05Å; W3977-Y3979 PolarHBondContact O-N 3.11Å
3978	Q	29.5	Very low	32	Very low	165 Å²	165	150.6 Å²	150.6	77%	0.771	74%	0.735	S	S	*	*			trans	-81.2	59.2	168.8	-161.2	163.7	26.1	0	0	108.7	P3976 D3980	P3976-Q3978 HydrophobicContact CB-CB 4.35Å; P3976-Q3978 PolarHBondContact O-N 3.3Å; Q3978-D3980 PolarHBondContact O-N 3.4Å
3979	Y	30.1	Very low	32	Very low	198 Å²	198	150.3 Å²	150.3	78%	0.776	73%	0.731	S	S	*	*			trans	-82.2	108.2	161.5	-97.7	-89.4	0	0	0	107.2	W3977 V3981	W3977-Y3979 PolarHBondContact O-N 3.11Å; Y3979-V3981 VanDerWaalsContact C-N 3.34Å; Y3979-V3981 PolarHBondContact O-N 3.1Å
3980	D	31.4	Very low	32.1	Very low	84 Å²	84	144.2 Å²	144.2	45%	0.449	73%	0.729	S	S	.	*			trans	-46.6	86.7	177.4	-66.8	-27.2	0	0	0	113.3	Q3978 E3982 K3983	Q3978-D3980 PolarHBondContact O-N 3.4Å; D3980-E3982 PolarHBondContact O-N 3.15Å; D3980-K3983 HydrophobicContact CB-CB 4.33Å; D3980-K3983 HydrophobicContact CB-CD 4.12Å; D3980-K3983 HydrophobicContact CB-CG 4.22Å; D3980-K3983 WeakPolarHBondContact OD2-CD 3.49Å; D3980-K3983 WeakPolarHBondContact OD2-CE 3.45Å; D3980-K3983 IonicContact OD2-NZ 2.73Å; D3980-K3983 PolarHBondContact OD2-NZ 2.95Å
3981	V	36.6	Very low	31.8	Very low	124.5 Å²	124.5	144.3 Å²	144.3	76%	0.755	73%	0.726	S	S	*	*	S	Bend	trans	-67.2	-22.1	169.1	179.5	0	0	0	0	110.7	Y3979 K3983 W3984	Y3979-V3981 VanDerWaalsContact C-N 3.34Å; Y3979-V3981 PolarHBondContact O-N 3.1Å; V3981-K3983 PolarHBondContact O-N 3.13Å; V3981-W3984 PolarHBondContact O-N 2.96Å
3982	E	35.7	Very low	31.6	Very low	166 Å²	166	144.5 Å²	144.5	78%	0.776	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-79.9	-13.7	-175.5	-63.4	-173.2	161.1	0	0	114.7	D3980 W3984 T3985	D3980-E3982 PolarHBondContact O-N 3.15Å; E3982-W3984 VanDerWaalsContact C-N 3.31Å; E3982-W3984 PolarHBondContact O-N 3.41Å; E3982-T3985 PolarHBondContact O-N 2.92Å; E3982-T3985 PolarHBondContact O-OG1 3.19Å
3983	K	32.7	Very low	31.6	Very low	144 Å²	144	146 Å²	146	63%	0.626	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-80.2	0.3	177.9	-79.7	-179.9	-176.5	150.9	0	114.7	D3980 V3981 T3985	D3980-K3983 HydrophobicContact CB-CB 4.33Å; D3980-K3983 HydrophobicContact CB-CD 4.12Å; D3980-K3983 HydrophobicContact CB-CG 4.22Å; D3980-K3983 WeakPolarHBondContact OD2-CD 3.49Å; D3980-K3983 WeakPolarHBondContact OD2-CE 3.45Å; D3980-K3983 IonicContact OD2-NZ 2.73Å; D3980-K3983 PolarHBondContact OD2-NZ 2.95Å; V3981-K3983 PolarHBondContact O-N 3.13Å; K3983-T3985 VanDerWaalsContact C-N 3.33Å; K3983-T3985 PolarHBondContact O-N 3.44Å
3984	W	28	Very low	31.6	Very low	234 Å²	234	150.3 Å²	150.3	89%	0.886	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-88.1	0.1	175.1	-74.8	60.7	0	0	0	113.1	V3981 E3982 H3986	V3981-W3984 PolarHBondContact O-N 2.96Å; E3982-W3984 VanDerWaalsContact C-N 3.31Å; E3982-W3984 PolarHBondContact O-N 3.41Å; W3984-H3986 PolarHBondContact O-N 3.11Å
3985	T	36.1	Very low	31.6	Very low	90.5 Å²	90.5	145.1 Å²	145.1	56%	0.555	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	34.1	177.5	49.9	0	0	0	0	113.2	E3982 K3983 Q3987	E3982-T3985 PolarHBondContact O-N 2.92Å; E3982-T3985 PolarHBondContact O-OG1 3.19Å; K3983-T3985 VanDerWaalsContact C-N 3.33Å; K3983-T3985 PolarHBondContact O-N 3.44Å; T3985-Q3987 VanDerWaalsContact C-N 3.29Å; T3985-Q3987 PolarHBondContact O-N 3.4Å
3986	H	31	Very low	31.6	Very low	180.5 Å²	180.5	145.5 Å²	145.5	84%	0.836	75%	0.746	S	S	*	*	S	Bend	trans	-28.7	-8.9	171.4	-64.7	100.5	0	0	0	119.3	W3984	W3984-H3986 PolarHBondContact O-N 3.11Å
3987	Q	31.7	Very low	31.5	Very low	168 Å²	168	148.3 Å²	148.3	79%	0.785	76%	0.755	S	S	*	*	S	Bend	trans	-102.7	13.5	-167.5	-153.8	167.6	9.9	0	0	116.8	T3985	T3985-Q3987 VanDerWaalsContact C-N 3.29Å; T3985-Q3987 PolarHBondContact O-N 3.4Å
3988	N	29.8	Very low	31.8	Very low	145 Å²	145	145.6 Å²	145.6	78%	0.775	76%	0.756	S	S	*	*	S	Bend	trans	-129.7	19.1	-179.1	-85.7	-46.2	0	0	0	116.7	G3990	N3988-G3990 PolarHBondContact O-N 3.44Å
3989	F	32.5	Very low	31.9	Very low	177.5 Å²	177.5	143.2 Å²	143.2	78%	0.779	75%	0.752	S	S	*	*			trans	-113.3	63.8	168.3	-67.6	-72.2	0	0	0	111.7	H3991	F3989-H3991 PolarHBondContact O-N 2.78Å
3990	G	30.1	Very low	31.9	Very low	72.5 Å²	72.5	144.3 Å²	144.3	75%	0.747	76%	0.755	S	S	*	*			trans	-81.2	11.6	167.1	0	0	0	0	0	114.2	N3988	N3988-G3990 PolarHBondContact O-N 3.44Å
3991	H	29.8	Very low	31.9	Very low	150 Å²	150	145.5 Å²	145.5	69%	0.694	77%	0.767	S	S	*	*			trans	-127.9	99.7	-177.3	-62.7	-50.2	0	0	0	110	F3989 Q3993	F3989-H3991 PolarHBondContact O-N 2.78Å; H3991-Q3993 PolarHBondContact O-N 3.21Å
3992	S	32.5	Very low	31.6	Very low	130 Å²	130	151.3 Å²	151.3	91%	0.909	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	14.2	177	48.1	0	0	0	0	114.7
3993	Q	32.6	Very low	31.5	Very low	179.5 Å²	179.5	148.6 Å²	148.6	84%	0.839	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	-0.8	-171.5	-118.8	171.3	-7.8	0	0	114.9	H3991 G3995	H3991-Q3993 PolarHBondContact O-N 3.21Å; Q3993-G3995 VanDerWaalsContact C-N 3.3Å
3994	L	31.5	Very low	31.3	Very low	144.5 Å²	144.5	147.9 Å²	147.9	76%	0.757	78%	0.778	S	S	*	*			trans	-105.1	35.3	170.7	-64.1	179.9	0	0	0	112.5	C3996	L3994-C3996 PolarHBondContact O-N 2.84Å
3995	G	29.5	Very low	31.4	Very low	71.5 Å²	71.5	140.2 Å²	140.2	74%	0.737	76%	0.76	S	S	*	*			trans	-66.4	44.4	168.6	0	0	0	0	0	113	Q3993 L3997	Q3993-G3995 VanDerWaalsContact C-N 3.3Å; G3995-L3997 VanDerWaalsContact C-N 3.32Å; G3995-L3997 PolarHBondContact O-N 3.23Å
3996	C	30.8	Very low	31	Very low	106 Å²	106	140.3 Å²	140.3	72%	0.716	77%	0.769	S	S	*	*			trans	-92.4	59.6	173.9	50.8	0	0	0	0	111.6	L3994 L3998	L3994-C3996 PolarHBondContact O-N 2.84Å; C3996-L3998 PolarHBondContact O-N 3.19Å
3997	L	30.9	Very low	31.2	Very low	157 Å²	157	137 Å²	137	82%	0.822	76%	0.762	S	S	*	*			trans	-89.9	64.3	176.4	-72.6	169.2	0	0	0	111.3	G3995 V3999	G3995-L3997 VanDerWaalsContact C-N 3.32Å; G3995-L3997 PolarHBondContact O-N 3.23Å; L3997-V3999 HydrophobicContact CB-CG2 3.52Å; L3997-V3999 HydrophobicContact CD1-CG2 4.44Å; L3997-V3999 PolarHBondContact O-N 2.99Å
3998	L	34.3	Very low	31.1	Very low	170 Å²	170	132.9 Å²	132.9	89%	0.89	75%	0.751	S	S	*	*			trans	-85.3	64.5	157.7	-81.2	157.4	0	0	0	107.8	C3996 R4000	C3996-L3998 PolarHBondContact O-N 3.19Å; L3998-R4000 VanDerWaalsContact C-N 3.27Å; L3998-R4000 PolarHBondContact O-N 3.11Å
3999	V	33.4	Very low	30.9	Very low	114 Å²	114	132.2 Å²	132.2	69%	0.691	75%	0.747	S	S	*	*			trans	-61.2	94.4	162.6	179.6	0	0	0	0	104.9	L3997	L3997-V3999 HydrophobicContact CB-CG2 3.52Å; L3997-V3999 HydrophobicContact CD1-CG2 4.44Å; L3997-V3999 PolarHBondContact O-N 2.99Å
4000	R	30	Very low	30.7	Very low	221.5 Å²	221.5	129.2 Å²	129.2	84%	0.836	74%	0.739	S	S	*	*			trans	-48.8	127.6	171.2	-85.5	-176.5	-179.6	149.2	0	107.3	L3998 R4002	L3998-R4000 VanDerWaalsContact C-N 3.27Å; L3998-R4000 PolarHBondContact O-N 3.11Å; R4000-R4002 PolarHBondContact O-N 3.22Å
4001	P	31.3	Very low	30.7	Very low	108 Å²	108	133.5 Å²	133.5	70%	0.701	74%	0.743	S	S	*	*			trans	-53.8	113.7	170.4	-21.8	30.5	0	0	0	109.5	S4003	P4001-S4003 VanDerWaalsContact C-N 3.27Å; P4001-S4003 PolarHBondContact O-N 3.11Å
4002	R	30.1	Very low	30.7	Very low	248 Å²	248	132.7 Å²	132.7	94%	0.936	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	85.9	167.3	-66.3	-176.5	178.7	158.5	-0.8	107.9	R4000	R4000-R4002 PolarHBondContact O-N 3.22Å
4003	S	32.6	Very low	30.3	Very low	108 Å²	108	130.1 Å²	130.1	76%	0.755	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	173.4	2	163.2	178.1	0	0	0	0	115	P4001 S4005	P4001-S4003 VanDerWaalsContact C-N 3.27Å; P4001-S4003 PolarHBondContact O-N 3.11Å; S4003-S4005 PolarHBondContact O-N 3.5Å
4004	L	29	Very low	30	Very low	130 Å²	130	125.9 Å²	125.9	68%	0.681	72%	0.715	S	S	*	*			trans	-84.1	102.1	169.1	-64.2	179.4	0	0	0	108.2	A4006	L4004-A4006 PolarHBondContact O-N 2.93Å
4005	S	29.5	Very low	29.8	Very low	73 Å²	73	123.3 Å²	123.3	51%	0.51	71%	0.714	S	S	.	*			trans	-47.7	133.1	164.1	50.1	0	0	0	0	108.2	S4003 T4007 C4008	S4003-S4005 PolarHBondContact O-N 3.5Å; S4005-T4007 PolarHBondContact O-N 3.17Å; S4005-T4007 PolarHBondContact OG-OG1 2.88Å; S4005-T4007 VanDerWaalsContact OG-OG1 3.08Å; S4005-C4008 PolarHBondContact O-N 2.92Å; S4005-C4008 VanDerWaalsContact O-N 3.17Å; S4005-C4008 PolarHBondContact O-SG 2.78Å
4006	A	28.4	Very low	29.7	Very low	92 Å²	92	126 Å²	126	76%	0.76	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-58.9	1.7	-176.3	0	0	0	0	0	114.6	L4004 C4008	L4004-A4006 PolarHBondContact O-N 2.93Å; A4006-C4008 VanDerWaalsContact C-N 3.35Å
4007	T	34.2	Very low	29.3	Very low	111 Å²	111	127.4 Å²	127.4	68%	0.681	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-75.2	-16.6	172.6	45.9	0	0	0	0	114	S4005	S4005-T4007 PolarHBondContact O-N 3.17Å; S4005-T4007 PolarHBondContact OG-OG1 2.88Å; S4005-T4007 VanDerWaalsContact OG-OG1 3.08Å
4008	C	30.3	Very low	29.1	Very low	81 Å²	81	127.5 Å²	127.5	55%	0.547	71%	0.712	S	S	.	*	G	3₁₀ helix	trans	-85.2	-9.1	-177.7	-44.6	0	0	0	0	114.8	S4005 A4006	S4005-C4008 PolarHBondContact O-N 2.92Å; S4005-C4008 VanDerWaalsContact O-N 3.17Å; S4005-C4008 PolarHBondContact O-SG 2.78Å; A4006-C4008 VanDerWaalsContact C-N 3.35Å
4009	L	26.4	Very low	28.8	Very low	132 Å²	132	123.3 Å²	123.3	69%	0.691	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-116.6	13.3	-176.9	-79.2	171.5	0	0	0	114	I4011	L4009-I4011 VanDerWaalsContact C-N 3.26Å; L4009-I4011 PolarHBondContact O-N 3.12Å
4010	N	27.4	Very low	28.4	Very low	114 Å²	114	121 Å²	121	61%	0.61	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	13	-177	-117.3	13.2	0	0	0	115.3
4011	I	30.6	Very low	28.2	Very low	163 Å²	163	120.2 Å²	120.2	84%	0.836	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-16.7	177.7	-56.8	179.4	0	0	0	112.4	L4009	L4009-I4011 VanDerWaalsContact C-N 3.26Å; L4009-I4011 PolarHBondContact O-N 3.12Å
4012	I	28.8	Very low	28.1	Very low	132 Å²	132	122.6 Å²	122.6	68%	0.677	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	-18	-176.9	-56.9	179.5	0	0	0	113.2
4013	S	25.3	Very low	28	Very low	76 Å²	76	114.9 Å²	114.9	53%	0.531	70%	0.701	S	S	.	*	G	3₁₀ helix	trans	-92.7	-5	179.8	-62.5	0	0	0	0	115.4	A4015	S4013-A4015 VanDerWaalsContact C-N 3.3Å; S4013-A4015 PolarHBondContact O-N 3.38Å
4014	S	25.7	Very low	27.8	Very low	92 Å²	92	115.1 Å²	115.1	64%	0.643	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-79.2	-8	178.3	-60.7	0	0	0	0	114.3
4015	A	27.9	Very low	27.7	Very low	90 Å²	90	117.3 Å²	117.3	74%	0.744	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-99.2	-12.8	179.2	0	0	0	0	0	114.6	S4013	S4013-A4015 VanDerWaalsContact C-N 3.3Å; S4013-A4015 PolarHBondContact O-N 3.38Å
4016	I	26.5	Very low	27.7	Very low	128 Å²	128	121 Å²	121	66%	0.656	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-10.1	-169.7	-58.2	179.7	0	0	0	113.6
4017	N	23.4	Very low	27.7	Very low	135 Å²	135	123.5 Å²	123.5	72%	0.722	72%	0.72	S	S	*	*	S	Bend	trans	-111.8	29.2	-177.4	-69.6	-15.5	0	0	0	115.2
4018	N	27.1	Very low	27.7	Very low	159 Å²	159	125 Å²	125	85%	0.85	72%	0.724	S	S	*	*			trans	-99.5	12.9	165.8	-84.4	8.4	0	0	0	113.4	G4020	N4018-G4020 VanDerWaalsContact C-N 3.29Å; N4018-G4020 PolarHBondContact O-N 3.15Å
4019	A	26.6	Very low	27.5	Very low	82 Å²	82	124.2 Å²	124.2	68%	0.678	73%	0.73	S	S	*	*	S	Bend	trans	-84.3	83.1	161.2	0	0	0	0	0	107.6	F4021	A4019-F4021 PolarHBondContact O-N 2.82Å
4020	G	26.1	Very low	27.8	Very low	66 Å²	66	125.8 Å²	125.8	68%	0.68	74%	0.739	S	S	*	*			trans	-51.4	111.6	168.1	0	0	0	0	0	109	N4018 D4022	N4018-G4020 VanDerWaalsContact C-N 3.29Å; N4018-G4020 PolarHBondContact O-N 3.15Å; G4020-D4022 PolarHBondContact O-N 2.86Å
4021	F	24.9	Very low	27.9	Very low	205 Å²	205	127.9 Å²	127.9	90%	0.899	75%	0.75	S	S	*	*			trans	-70.9	82.2	161.7	-115.1	-93.5	0	0	0	106.2	A4019 A4023	A4019-F4021 PolarHBondContact O-N 2.82Å; F4021-A4023 PolarHBondContact O-N 3.39Å
4022	D	30.1	Very low	28.1	Very low	157 Å²	157	128.1 Å²	128.1	84%	0.84	75%	0.748	S	S	*	*			trans	-70.9	98.4	165.1	-86.2	-27.2	0	0	0	107.3	G4020	G4020-D4022 PolarHBondContact O-N 2.86Å
4023	A	26.9	Very low	27.9	Very low	87 Å²	87	130.7 Å²	130.7	72%	0.719	76%	0.757	S	S	*	*			trans	-65.2	136.3	169.2	0	0	0	0	0	109.3	F4021	F4021-A4023 PolarHBondContact O-N 3.39Å
4024	P	28.2	Very low	28.3	Very low	113 Å²	113	134.7 Å²	134.7	73%	0.734	77%	0.772	S	S	*	*			trans	-86.8	120.8	-166.6	33.5	-31.3	0	0	0	110.5
4025	H	27.6	Very low	28.4	Very low	176 Å²	176	139 Å²	139	82%	0.815	78%	0.779	S	S	*	*			trans	-164.7	99	156.5	-93.7	-46.7	0	0	0	110.1
4026	N	28.8	Very low	28.3	Very low	151 Å²	151	142.9 Å²	142.9	81%	0.807	79%	0.785	S	S	*	*			trans	-155.1	79.4	144.5	-119.9	-9.5	0	0	0	108.7	N4028	N4026-N4028 PolarHBondContact O-N 3.02Å
4027	D	28.9	Very low	28.4	Very low	143 Å²	143	144.8 Å²	144.8	77%	0.765	79%	0.791	S	S	*	*			trans	-67.3	102.4	156.2	-75.5	-42.3	0	0	0	107.3
4028	N	33.9	Very low	28.7	Very low	143 Å²	143	145.6 Å²	145.6	77%	0.765	80%	0.795	S	S	*	*			trans	-165	99.1	158.9	-77.5	-45.3	0	0	0	103.9	N4026	N4026-N4028 PolarHBondContact O-N 3.02Å
4029	G	26.8	Very low	28.7	Very low	65 Å²	65	141.1 Å²	141.1	67%	0.67	79%	0.787	S	S	*	*				88.7	102.7	75.2	0	0	0	0	0	107.1
4030	D	32.2	Very low	28.6	Very low	164 Å²	164	142.8 Å²	142.8	88%	0.877	79%	0.793	S	S	*	*			trans	163.9	99.2	137	-77.1	-13.7	0	0	0	109.8	E4032	D4030-E4032 PolarHBondContact O-N 2.97Å
4031	D	28.8	Very low	28.5	Very low	159 Å²	159	150 Å²	150	85%	0.85	80%	0.799	S	S	*	*			trans	-66.1	107.7	166.5	-56.3	-57.6	0	0	0	109.2
4032	E	34.9	Very low	28.6	Very low	168 Å²	168	149.7 Å²	149.7	79%	0.785	80%	0.798	S	S	*	*			trans	-138.2	101.4	160.5	-79.6	-58.7	158.9	0	0	111.3	D4030 L4034	D4030-E4032 PolarHBondContact O-N 2.97Å; E4032-L4034 PolarHBondContact O-N 3.05Å; E4032-L4034 VanDerWaalsContact O-N 3.12Å
4033	E	25.8	Very low	28.5	Very low	186 Å²	186	149.8 Å²	149.8	87%	0.869	79%	0.791	S	S	*	*			trans	-66.3	88.1	176.5	-173.7	-173.9	173.3	0	0	111.1	K4035	E4033-K4035 PolarHBondContact O-N 2.87Å
4034	L	32.7	Very low	28.7	Very low	160 Å²	160	153.3 Å²	153.3	84%	0.838	80%	0.798	S	S	*	*			trans	-98.1	91.4	172.9	-77.6	174.2	0	0	0	112.9	E4032 I4036	E4032-L4034 PolarHBondContact O-N 3.05Å; E4032-L4034 VanDerWaalsContact O-N 3.12Å; L4034-I4036 PolarHBondContact O-N 2.92Å
4035	K	27.9	Very low	28.6	Very low	183 Å²	183	155.7 Å²	155.7	80%	0.796	80%	0.804	S	S	*	*			trans	6	103	143.5	-84.5	173.6	173.1	169.4	0	117.3	E4033 Q4037	E4033-K4035 PolarHBondContact O-N 2.87Å; K4035-Q4037 PolarHBondContact O-N 2.93Å
4036	I	26.7	Very low	28.7	Very low	170 Å²	170	151.2 Å²	151.2	87%	0.872	80%	0.798	S	S	*	*				12.4	101.2	121.8	-46.6	172.2	0	0	0	115.5	L4034	L4034-I4036 PolarHBondContact O-N 2.92Å
4037	Q	29	Very low	28.8	Very low	169 Å²	169	151.7 Å²	151.7	79%	0.79	80%	0.8	S	S	*	*			trans	-158.8	116.4	144.8	-125.4	-178.2	0.3	0	0	113.1	K4035	K4035-Q4037 PolarHBondContact O-N 2.93Å
4038	N	28.1	Very low	28.7	Very low	151 Å²	151	151.6 Å²	151.6	81%	0.807	80%	0.8	S	S	*	*			trans	58.8	86.7	143.9	-62	-9.9	0	0	0	119.5
4039	G	28.8	Very low	28.6	Very low	65 Å²	65	152.1 Å²	152.1	67%	0.67	80%	0.803	S	S	*	*			trans	-146.6	79.3	163.4	0	0	0	0	0	112.2
4040	C	24.4	Very low	28.7	Very low	118 Å²	118	157.8 Å²	157.8	80%	0.797	81%	0.812	S	S	*	*			trans	26.4	94.8	155.1	-156.2	0	0	0	0	118.2	K4042	C4040-K4042 PolarHBondContact O-N 2.9Å
4041	W	22.6	Very low	28.5	Very low	217 Å²	217	159.4 Å²	159.4	82%	0.822	81%	0.813	S	S	*	*			trans	-80.4	109.5	167.1	-59.8	93.3	0	0	0	110.2	F4043	W4041-F4043 HydrophobicContact CE3-CD2 4.26Å; W4041-F4043 AromaticContact CE3-CE2 3.56Å; W4041-F4043 HydrophobicContact CE3-CE2 3.56Å; W4041-F4043 HydrophobicContact CE3-CZ 4.43Å; W4041-F4043 HydrophobicContact CZ3-CE2 4.03Å; W4041-F4043 HydrophobicContact CZ3-CZ 4.49Å
4042	K	28.8	Very low	28.3	Very low	199 Å²	199	154.9 Å²	154.9	87%	0.865	81%	0.805	S	S	*	*			trans	-113.2	95	158.4	-86.9	-172.2	173.5	-174.6	0	108.4	C4040	C4040-K4042 PolarHBondContact O-N 2.9Å
4043	F	26.3	Very low	27.9	Very low	159 Å²	159	155.3 Å²	155.3	70%	0.697	81%	0.811	S	S	*	*			trans	-80.4	127.9	159.9	-85.5	-91.1	0	0	0	108	W4041	W4041-F4043 HydrophobicContact CE3-CD2 4.26Å; W4041-F4043 AromaticContact CE3-CE2 3.56Å; W4041-F4043 HydrophobicContact CE3-CE2 3.56Å; W4041-F4043 HydrophobicContact CE3-CZ 4.43Å; W4041-F4043 HydrophobicContact CZ3-CE2 4.03Å; W4041-F4043 HydrophobicContact CZ3-CZ 4.49Å
4044	D	31.2	Very low	27.7	Very low	161 Å²	161	149.1 Å²	149.1	86%	0.861	80%	0.798	S	S	*	*			trans	-165.6	72.9	151.7	-84.9	-32.3	0	0	0	108.1
4045	N	26.4	Very low	27.2	Very low	162 Å²	162	147.2 Å²	147.2	87%	0.866	80%	0.797	S	S	*	*			trans	-170.5	109.2	132.9	-104.5	-18.7	0	0	0	109.8
4046	A	29.3	Very low	27.1	Very low	82 Å²	82	145.6 Å²	145.6	68%	0.678	80%	0.796	S	S	*	*			trans	-65.3	125	158.8	0	0	0	0	0	108.7
4047	N	31.3	Very low	27	Very low	162 Å²	162	142.9 Å²	142.9	87%	0.866	79%	0.792	S	S	*	*				-165.9	103.8	128.7	-84.8	-31.9	0	0	0	106.3
4048	D	26.3	Very low	26.8	Very low	141 Å²	141	142.6 Å²	142.6	75%	0.754	79%	0.793	S	S	*	*			trans	-57	155.3	155.5	-61.5	-57.3	0	0	0	109.9
4049	D	32.9	Very low	26.8	Very low	154 Å²	154	143.1 Å²	143.1	82%	0.824	79%	0.791	S	S	*	*			trans	115.2	118.5	151.5	-59.5	-29.5	0	0	0	118.3
4050	E	28.7	Very low	26.9	Very low	184 Å²	184	147.8 Å²	147.8	86%	0.86	80%	0.799	S	S	*	*			trans	78.4	100.9	152.3	-67.6	-168.3	159.6	0	0	119.1	G4052	E4050-G4052 PolarHBondContact O-N 3.38Å
4051	H	27.7	Very low	27.1	Very low	197 Å²	197	149 Å²	149	91%	0.912	80%	0.796	S	S	*	*			trans	-43.1	71.9	138.5	-60	-79.2	0	0	0	112.5	L4053	H4051-L4053 PolarHBondContact O-N 2.89Å
4052	G	24.1	Very low	27.5	Very low	65 Å²	65	146.5 Å²	146.5	67%	0.67	79%	0.791	S	S	*	*			trans	-71.7	110	154.9	0	0	0	0	0	107.2	E4050 G4054	E4050-G4052 PolarHBondContact O-N 3.38Å; G4052-G4054 PolarHBondContact O-N 2.91Å
4053	L	27.5	Very low	27.5	Very low	176 Å²	176	140.9 Å²	140.9	92%	0.921	78%	0.782	S	S	*	*			trans	-61.1	68.1	162.4	-66.9	164.5	0	0	0	108.9	H4051 C4055	H4051-L4053 PolarHBondContact O-N 2.89Å; L4053-C4055 PolarHBondContact O-N 3.48Å
4054	G	21.3	Very low	27.8	Very low	57 Å²	57	139.6 Å²	139.6	59%	0.588	78%	0.778	S	S	*	*			trans	-75	99.6	163.6	0	0	0	0	0	105.4	G4052 N4056	G4052-G4054 PolarHBondContact O-N 2.91Å; G4054-N4056 PolarHBondContact O-N 3.32Å
4055	C	22.6	Very low	27.9	Very low	120 Å²	120	139.6 Å²	139.6	81%	0.811	78%	0.778	S	S	*	*			trans	-46.9	104.1	153.9	-64.4	0	0	0	0	105.4	L4053 S4057	L4053-C4055 PolarHBondContact O-N 3.48Å; C4055-S4057 PolarHBondContact O-N 2.89Å
4056	N	26.2	Very low	28.1	Very low	148 Å²	148	135 Å²	135	79%	0.791	76%	0.758	S	S	*	*			trans	-57.1	104.7	166.9	-81	-31.8	0	0	0	103.8	G4054 M4058	G4054-N4056 PolarHBondContact O-N 3.32Å; N4056-M4058 PolarHBondContact O-N 2.95Å
4057	S	23.5	Very low	28.4	Very low	113 Å²	113	136.9 Å²	136.9	79%	0.79	76%	0.762	S	S	*	*			trans	-50.8	86	153.1	-67.7	0	0	0	0	104.7	C4055 E4059	C4055-S4057 PolarHBondContact O-N 2.89Å; S4057-E4059 PolarHBondContact O-N 3.24Å
4058	M	25.9	Very low	28.7	Very low	164 Å²	164	138 Å²	138	81%	0.808	76%	0.762	S	S	*	*			trans	-63.7	98.4	166.7	-165.4	162.4	-77.2	0	0	101.6	N4056 I4060	N4056-M4058 PolarHBondContact O-N 2.95Å; M4058-I4060 VanDerWaalsContact C-N 3.31Å; M4058-I4060 PolarHBondContact O-N 2.88Å
4059	E	27.8	Very low	29.3	Very low	161 Å²	161	137.7 Å²	137.7	75%	0.752	76%	0.756	S	S	*	*			trans	-40.3	108.3	167.5	-75.4	177.6	145.6	0	0	104.8	S4057 L4061	S4057-E4059 PolarHBondContact O-N 3.24Å; E4059-L4061 PolarHBondContact O-N 3.48Å
4060	I	29.6	Very low	29.7	Very low	163 Å²	163	136.6 Å²	136.6	84%	0.836	75%	0.749	S	S	*	*			trans	-64.3	89.1	165.6	-60.7	171	0	0	0	101.5	M4058 K4062	M4058-I4060 VanDerWaalsContact C-N 3.31Å; M4058-I4060 PolarHBondContact O-N 2.88Å; I4060-K4062 PolarHBondContact O-N 3.13Å
4061	L	29.8	Very low	30.3	Very low	143 Å²	143	133.5 Å²	133.5	75%	0.749	74%	0.738	S	S	*	*			trans	-46	116.4	168.7	-78.4	167.2	0	0	0	103.6	E4059 A4063	E4059-L4061 PolarHBondContact O-N 3.48Å; L4061-A4063 PolarHBondContact O-N 2.92Å
4062	K	30.3	Very low	31.3	Very low	165 Å²	165	130.9 Å²	130.9	72%	0.717	73%	0.726	S	S	*	*			trans	-49.2	86.3	170.5	-77.2	166.5	151	-122.4	0	107.3	I4060 E4064	I4060-K4062 PolarHBondContact O-N 3.13Å; K4062-E4064 HydrophobicContact CB-CG 4.04Å; K4062-E4064 WeakPolarHBondContact CD-OE1 3.42Å; K4062-E4064 IonicContact NZ-OE1 2.77Å; K4062-E4064 PolarHBondContact NZ-OE1 3.15Å; K4062-E4064 PolarHBondContact O-N 3.44Å
4063	A	29.6	Very low	32.3	Very low	81 Å²	81	135 Å²	135	67%	0.669	73%	0.727	S	S	*	*			trans	-73.9	68.4	163.9	0	0	0	0	0	105.2	L4061 N4065	L4061-A4063 PolarHBondContact O-N 2.92Å; A4063-N4065 PolarHBondContact O-N 3.47Å; A4063-N4065 VanDerWaalsContact O-N 3.08Å
4064	E	32.4	Very low	33.2	Very low	133 Å²	133	127.9 Å²	127.9	62%	0.621	69%	0.693	S	S	*	*			trans	-67.6	4.7	175	-85.6	170.2	-170.4	0	0	111.5	K4062	K4062-E4064 HydrophobicContact CB-CG 4.04Å; K4062-E4064 WeakPolarHBondContact CD-OE1 3.42Å; K4062-E4064 IonicContact NZ-OE1 2.77Å; K4062-E4064 PolarHBondContact NZ-OE1 3.15Å; K4062-E4064 PolarHBondContact O-N 3.44Å
4065	N	32.9	Very low	34.8	Very low	160 Å²	160	128.1 Å²	128.1	86%	0.856	69%	0.685	S	S	*	*	S	Bend	trans	-128.1	67.3	-179.3	-70.4	-20.8	0	0	0	113	A4063	A4063-N4065 PolarHBondContact O-N 3.47Å; A4063-N4065 VanDerWaalsContact O-N 3.08Å
4066	S	30.5	Very low	37	Very low	65 Å²	65	126.6 Å²	126.6	46%	0.455	67%	0.674	S	S	.	*			trans	-152.9	6.3	155.8	70.9	0	0	0	0	115.5	Q4068 E4069	S4066-Q4068 PolarHBondContact O-N 3.01Å; S4066-E4069 PolarHBondContact O-N 3.37Å
4067	V	36.3	Very low	39.1	Very low	123 Å²	123	129.4 Å²	129.4	75%	0.745	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-11.1	-176.6	-174.9	0	0	0	0	112.9
4068	Q	38	Very low	41.4	Very low	185 Å²	185	128.4 Å²	128.4	86%	0.864	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-22.5	178.2	-113.2	159.1	-7.9	0	0	115.1	S4066	S4066-Q4068 PolarHBondContact O-N 3.01Å
4069	E	37.2	Very low	43.9	Very low	134 Å²	134	125.1 Å²	125.1	63%	0.626	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-19.9	-172.9	-114.5	177.7	175	0	0	114.6	S4066 N4071 E4072	S4066-E4069 PolarHBondContact O-N 3.37Å; E4069-N4071 VanDerWaalsContact C-N 3.25Å; E4069-N4071 PolarHBondContact O-N 2.88Å; E4069-E4072 PolarHBondContact O-N 2.72Å
4070	I	41	Very low	46.3	Very low	132 Å²	132	124.5 Å²	124.5	68%	0.677	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-17.9	-174.1	-45.8	176.2	0	0	0	112.1
4071	N	42.3	Very low	48.6	Very low	118 Å²	118	120 Å²	120	63%	0.631	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-17.9	177.9	-87.1	-36.6	0	0	0	114	E4069	E4069-N4071 VanDerWaalsContact C-N 3.25Å; E4069-N4071 PolarHBondContact O-N 2.88Å
4072	E	48.1	Very low	50.9	Low	142 Å²	142	118.9 Å²	118.9	66%	0.664	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-35.2	-178.2	-65.2	-159.1	167.7	0	0	112.6	E4069 S4074 K4079	E4069-E4072 PolarHBondContact O-N 2.72Å; E4072-S4074 VanDerWaalsContact C-N 3.26Å; E4072-S4074 PolarHBondContact O-N 2.84Å; E4072-K4079 WeakPolarHBondContact O-CE 3.03Å; E4072-K4079 PolarHBondContact O-NZ 3.38Å
4073	H	45	Very low	53.3	Low	152 Å²	152	118.3 Å²	118.3	70%	0.704	59%	0.594	S	S	*	*			trans	-82.6	9.8	-178	-55.2	-53.5	0	0	0	115.4	S4075	H4073-S4075 PolarHBondContact O-N 3.23Å
4074	S	48	Very low	55.4	Low	27 Å²	27	121.7 Å²	121.7	19%	0.189	59%	0.59	C	S	.	*	S	Bend	trans	-62.3	113.4	165.8	172.1	0	0	0	0	108.5	E4072 L4078 K4079	E4072-S4074 VanDerWaalsContact C-N 3.26Å; E4072-S4074 PolarHBondContact O-N 2.84Å; S4074-L4078 WeakPolarHBondContact OG-CB 3.38Å; S4074-L4078 WeakPolarHBondContact OG-CD2 3.5Å; S4074-L4078 WeakPolarHBondContact OG-CG 3.34Å; S4074-K4079 VanDerWaalsContact O-CE 3.25Å; S4074-K4079 WeakPolarHBondContact O-CE 3.43Å; S4074-K4079 WeakPolarHBondContact OG-CG 3.43Å; S4074-K4079 PolarHBondContact OG-N 3.33Å
4075	S	54.9	Low	57.3	Low	62 Å²	62	116.9 Å²	116.9	43%	0.434	57%	0.569	S	S	.	*			trans	-45.3	143.9	178.1	64.7	0	0	0	0	110.4	H4073 R4077 L4078 K4079	H4073-S4075 PolarHBondContact O-N 3.23Å; S4075-R4077 CarbonylContact O-C 3.56Å; S4075-R4077 PolarHBondContact O-N 3.27Å; S4075-L4078 WeakPolarHBondContact O-CA 3.2Å; S4075-L4078 PolarHBondContact O-N 3.4Å; S4075-L4078 WeakPolarHBondContact OG-CB 3.32Å; S4075-L4078 PolarHBondContact OG-N 2.71Å; S4075-K4079 PolarHBondContact O-N 2.7Å
4076	P	67.9	Low	59.2	Low	88 Å²	88	113.5 Å²	113.5	57%	0.571	55%	0.549	S	S	*	.	H	α-helix	trans	-51.4	-25.7	177.4	-28.5	34.4	0	0	0	112.9	R4080	P4076-R4080 WeakPolarHBondContact O-CB 3.49Å; P4076-R4080 WeakPolarHBondContact O-CG 3.49Å; P4076-R4080 PolarHBondContact O-N 3.47Å; P4076-R4080 VanDerWaalsContact O-N 3.13Å
4077	R	70.3	Confident	61.4	Low	207 Å²	207	116 Å²	116	78%	0.781	55%	0.553	S	S	*	*	H	α-helix	trans	-72	-42.8	174.1	-165.3	172.2	174.6	136.8	-3.6	112.8	S4075 R4080 L4081	S4075-R4077 CarbonylContact O-C 3.56Å; S4075-R4077 PolarHBondContact O-N 3.27Å; R4077-R4080 PolarHBondContact O-N 3.21Å; R4077-L4081 WeakPolarHBondContact O-CB 3.49Å; R4077-L4081 PolarHBondContact O-N 3.47Å
4078	L	72.6	Confident	63	Low	92 Å²	92	113.2 Å²	113.2	48%	0.482	54%	0.536	S	S	.	.	H	α-helix	trans	-69.5	-40.6	175.6	-176	64	0	0	0	111.7	S4074 S4075 R4080 L4081 K4082	S4074-L4078 WeakPolarHBondContact OG-CB 3.38Å; S4074-L4078 WeakPolarHBondContact OG-CD2 3.5Å; S4074-L4078 WeakPolarHBondContact OG-CG 3.34Å; S4075-L4078 WeakPolarHBondContact O-CA 3.2Å; S4075-L4078 PolarHBondContact O-N 3.4Å; S4075-L4078 WeakPolarHBondContact OG-CB 3.32Å; S4075-L4078 PolarHBondContact OG-N 2.71Å; L4078-R4080 VanDerWaalsContact C-N 3.35Å; L4078-R4080 PolarHBondContact O-N 3.47Å; L4078-L4081 HydrophobicContact CD1-CD2 4.43Å; L4078-L4081 WeakPolarHBondContact O-CB 3.41Å; L4078-L4081 PolarHBondContact O-N 3.44Å; L4078-L4081 VanDerWaalsContact O-N 3.15Å; L4078-K4082 WeakPolarHBondContact O-CB 3.47Å; L4078-K4082 PolarHBondContact O-N 3.49Å
4079	K	77.5	Confident	64.5	Low	94 Å²	94	108.8 Å²	108.8	41%	0.409	51%	0.511	S	S	.	.	H	α-helix	trans	-58.1	-45.8	171.9	-68.8	-174.4	-176.4	172.2	0	111.4	E4072 S4074 S4075 L4081 K4082 K4083	E4072-K4079 WeakPolarHBondContact O-CE 3.03Å; E4072-K4079 PolarHBondContact O-NZ 3.38Å; S4074-K4079 VanDerWaalsContact O-CE 3.25Å; S4074-K4079 WeakPolarHBondContact O-CE 3.43Å; S4074-K4079 WeakPolarHBondContact OG-CG 3.43Å; S4074-K4079 PolarHBondContact OG-N 3.33Å; S4075-K4079 PolarHBondContact O-N 2.7Å; K4079-L4081 PolarHBondContact O-N 3.5Å; K4079-K4082 PolarHBondContact O-N 3.06Å; K4079-K4083 PolarHBondContact O-N 3.33Å
4080	R	77.5	Confident	66.4	Low	149 Å²	149	108.8 Å²	108.8	56%	0.562	52%	0.516	S	S	*	.	H	α-helix	trans	-62.3	-39.7	174.2	-75.9	176	-172.3	116.2	-6	112.6	P4076 R4077 L4078 R4084	P4076-R4080 WeakPolarHBondContact O-CB 3.49Å; P4076-R4080 WeakPolarHBondContact O-CG 3.49Å; P4076-R4080 PolarHBondContact O-N 3.47Å; P4076-R4080 VanDerWaalsContact O-N 3.13Å; R4077-R4080 PolarHBondContact O-N 3.21Å; L4078-R4080 VanDerWaalsContact C-N 3.35Å; L4078-R4080 PolarHBondContact O-N 3.47Å; R4080-R4084 WeakPolarHBondContact O-CB 3.19Å; R4080-R4084 VanDerWaalsContact O-CG 3.32Å; R4080-R4084 WeakPolarHBondContact O-CG 3.48Å; R4080-R4084 PolarHBondContact O-N 3.24Å
4081	L	79.2	Confident	68.2	Low	68 Å²	68	107.9 Å²	107.9	36%	0.356	51%	0.511	S	S	.	.	H	α-helix	trans	-65.6	-42.8	177.8	-170.2	68.1	0	0	0	111.4	R4077 L4078 K4079 R4084 T4085 I4105	R4077-L4081 WeakPolarHBondContact O-CB 3.49Å; R4077-L4081 PolarHBondContact O-N 3.47Å; L4078-L4081 HydrophobicContact CD1-CD2 4.43Å; L4078-L4081 WeakPolarHBondContact O-CB 3.41Å; L4078-L4081 PolarHBondContact O-N 3.44Å; L4078-L4081 VanDerWaalsContact O-N 3.15Å; K4079-L4081 PolarHBondContact O-N 3.5Å; L4081-R4084 PolarHBondContact O-N 3.45Å; L4081-T4085 WeakPolarHBondContact O-CB 3.43Å; L4081-T4085 PolarHBondContact O-N 3.09Å; L4081-T4085 PolarHBondContact O-OG1 3.3Å; L4081-I4105 HydrophobicContact CD1-CD1 3.34Å; L4081-I4105 HydrophobicContact CD1-CG1 4.05Å; L4081-I4105 HydrophobicContact CG-CD1 3.88Å
4082	K	77.6	Confident	69.9	Low	119 Å²	119	105.1 Å²	105.1	52%	0.517	50%	0.496	S	S	.	.	H	α-helix	trans	-60.9	-50.2	176.3	-172	177.9	176.7	-176.3	0	111	L4078 K4079 R4084 T4085 E4086	L4078-K4082 WeakPolarHBondContact O-CB 3.47Å; L4078-K4082 PolarHBondContact O-N 3.49Å; K4079-K4082 PolarHBondContact O-N 3.06Å; K4082-R4084 VanDerWaalsContact C-N 3.32Å; K4082-R4084 PolarHBondContact O-N 2.94Å; K4082-T4085 WeakPolarHBondContact O-CB 3.44Å; K4082-T4085 PolarHBondContact O-N 3.47Å; K4082-E4086 VanDerWaalsContact CE-OE1 3.24Å; K4082-E4086 WeakPolarHBondContact CE-OE1 3.39Å; K4082-E4086 PolarHBondContact O-N 3.15Å
4083	K	80	Confident	71.3	Confident	154 Å²	154	101.8 Å²	101.8	67%	0.67	49%	0.487	S	S	*	.	H	α-helix	trans	-56.4	-43.2	174.9	-74.6	-170.7	176.1	-170.2	0	112.7	K4079 H4087	K4079-K4083 PolarHBondContact O-N 3.33Å; K4083-H4087 WeakPolarHBondContact O-CB 3.45Å; K4083-H4087 PolarHBondContact O-N 3.35Å
4084	R	75.4	Confident	72.5	Confident	151 Å²	151	100.1 Å²	100.1	57%	0.57	49%	0.487	S	S	*	.	H	α-helix	trans	-65.1	-39.8	175.7	-75.1	175.3	-178.2	150.3	3.3	112.5	R4080 L4081 K4082 H4087 V4088	R4080-R4084 WeakPolarHBondContact O-CB 3.19Å; R4080-R4084 VanDerWaalsContact O-CG 3.32Å; R4080-R4084 WeakPolarHBondContact O-CG 3.48Å; R4080-R4084 PolarHBondContact O-N 3.24Å; L4081-R4084 PolarHBondContact O-N 3.45Å; K4082-R4084 VanDerWaalsContact C-N 3.32Å; K4082-R4084 PolarHBondContact O-N 2.94Å; R4084-H4087 PolarHBondContact O-N 3.49Å; R4084-V4088 WeakPolarHBondContact O-CB 3.43Å; R4084-V4088 VanDerWaalsContact O-CG2 3.26Å; R4084-V4088 WeakPolarHBondContact O-CG2 3.47Å; R4084-V4088 PolarHBondContact O-N 3.17Å
4085	T	71.4	Confident	73.9	Confident	32 Å²	32	104.8 Å²	104.8	20%	0.196	51%	0.51	C	S	.	.	H	α-helix	trans	-67	-42.2	179.3	-53.1	0	0	0	0	110.9	L4081 K4082 V4088 R4089 I4105	L4081-T4085 WeakPolarHBondContact O-CB 3.43Å; L4081-T4085 PolarHBondContact O-N 3.09Å; L4081-T4085 PolarHBondContact O-OG1 3.3Å; K4082-T4085 WeakPolarHBondContact O-CB 3.44Å; K4082-T4085 PolarHBondContact O-N 3.47Å; T4085-V4088 PolarHBondContact O-N 3.39Å; T4085-R4089 WeakPolarHBondContact O-CG 3.17Å; T4085-R4089 PolarHBondContact O-N 3.05Å; T4085-I4105 WeakPolarHBondContact OG1-CD1 3.33Å
4086	E	72.4	Confident	74.7	Confident	90 Å²	90	105.6 Å²	105.6	42%	0.421	51%	0.509	S	S	.	.	H	α-helix	trans	-63	-44.4	173.6	-75.4	169.6	-176.8	0	0	111.3	K4082 V4088 R4089 N4090	K4082-E4086 VanDerWaalsContact CE-OE1 3.24Å; K4082-E4086 WeakPolarHBondContact CE-OE1 3.39Å; K4082-E4086 PolarHBondContact O-N 3.15Å; E4086-V4088 PolarHBondContact O-N 3.33Å; E4086-R4089 PolarHBondContact O-N 3.08Å; E4086-N4090 PolarHBondContact O-N 3.17Å; E4086-N4090 PolarHBondContact O-OD1 3.36Å
4087	H	76.5	Confident	74.7	Confident	116 Å²	116	104.1 Å²	104.1	54%	0.537	50%	0.495	S	S	.	.	H	α-helix	trans	-61.2	-44.5	175.9	-172.7	69.6	0	0	0	112.3	K4083 R4084 R4089 N4090 L4091	K4083-H4087 WeakPolarHBondContact O-CB 3.45Å; K4083-H4087 PolarHBondContact O-N 3.35Å; R4084-H4087 PolarHBondContact O-N 3.49Å; H4087-R4089 VanDerWaalsContact C-N 3.32Å; H4087-R4089 PolarHBondContact O-N 2.75Å; H4087-N4090 PolarHBondContact O-N 3.44Å; H4087-N4090 VanDerWaalsContact O-N 3.17Å; H4087-L4091 WeakPolarHBondContact O-CG 3.41Å; H4087-L4091 PolarHBondContact O-N 3.17Å; H4087-L4091 VanDerWaalsContact O-N 3.14Å
4088	V	70.7	Confident	74.5	Confident	65 Å²	65	103.9 Å²	103.9	39%	0.394	49%	0.494	S	S	.	.	H	α-helix	trans	-64.2	-37.6	176.6	170.3	0	0	0	0	111.6	R4084 T4085 E4086 L4091 L4092	R4084-V4088 WeakPolarHBondContact O-CB 3.43Å; R4084-V4088 VanDerWaalsContact O-CG2 3.26Å; R4084-V4088 WeakPolarHBondContact O-CG2 3.47Å; R4084-V4088 PolarHBondContact O-N 3.17Å; T4085-V4088 PolarHBondContact O-N 3.39Å; E4086-V4088 PolarHBondContact O-N 3.33Å; V4088-L4091 PolarHBondContact O-N 3.33Å; V4088-L4092 HydrophobicContact CG1-CD1 3.98Å; V4088-L4092 WeakPolarHBondContact O-CG 3.46Å; V4088-L4092 PolarHBondContact O-N 2.95Å
4089	R	70.1	Confident	73.9	Confident	93 Å²	93	106 Å²	106	35%	0.351	50%	0.499	S	S	.	.	H	α-helix	trans	-61.7	-46.2	172.3	-76.1	175.1	-178.8	175.7	0.1	110.4	T4085 E4086 H4087 L4091 L4092 H4097 I4100	T4085-R4089 WeakPolarHBondContact O-CG 3.17Å; T4085-R4089 PolarHBondContact O-N 3.05Å; E4086-R4089 PolarHBondContact O-N 3.08Å; H4087-R4089 VanDerWaalsContact C-N 3.32Å; H4087-R4089 PolarHBondContact O-N 2.75Å; R4089-L4091 PolarHBondContact O-N 2.79Å; R4089-L4091 VanDerWaalsContact O-N 3.14Å; R4089-L4092 PolarHBondContact O-N 2.87Å; R4089-H4097 PolarHBondContact O-CE1 3.15Å; R4089-H4097 VanDerWaalsContact O-CE1 3.22Å; R4089-H4097 PolarHBondContact O-NE2 3.43Å; R4089-I4100 HydrophobicContact CG-CD1 3.95Å
4090	N	75.9	Confident	73.1	Confident	133 Å²	133	103.7 Å²	103.7	71%	0.711	49%	0.491	S	S	*	.	H	α-helix	trans	-64.2	-22.5	-179.9	-66.5	-11.5	0	0	0	114.3	E4086 H4087	E4086-N4090 PolarHBondContact O-N 3.17Å; E4086-N4090 PolarHBondContact O-OD1 3.36Å; H4087-N4090 PolarHBondContact O-N 3.44Å; H4087-N4090 VanDerWaalsContact O-N 3.17Å
4091	L	79.3	Confident	71.8	Confident	113 Å²	113	102.2 Å²	102.2	59%	0.592	49%	0.494	S	S	*	.	H	α-helix	trans	-83.2	-17.3	175.6	-67.5	175.1	0	0	0	113.5	H4087 V4088 R4089	H4087-L4091 WeakPolarHBondContact O-CG 3.41Å; H4087-L4091 PolarHBondContact O-N 3.17Å; H4087-L4091 VanDerWaalsContact O-N 3.14Å; V4088-L4091 PolarHBondContact O-N 3.33Å; R4089-L4091 PolarHBondContact O-N 2.79Å; R4089-L4091 VanDerWaalsContact O-N 3.14Å
4092	L	77.8	Confident	70.2	Confident	60 Å²	60	104.5 Å²	104.5	31%	0.314	51%	0.512	S	S	.	.	S	Bend	trans	-92.1	144.3	-177.9	-72.2	165.8	0	0	0	110	V4088 R4089 V4094 L4096 H4097 I4100	V4088-L4092 HydrophobicContact CG1-CD1 3.98Å; V4088-L4092 WeakPolarHBondContact O-CG 3.46Å; V4088-L4092 PolarHBondContact O-N 2.95Å; R4089-L4092 PolarHBondContact O-N 2.87Å; L4092-V4094 PolarHBondContact O-N 3.34Å; L4092-L4096 HydrophobicContact CD2-CD1 4.33Å; L4092-H4097 PolarHBondContact O-NE2 3.48Å; L4092-I4100 HydrophobicContact CD1-CD1 3.23Å; L4092-I4100 HydrophobicContact CD1-CG1 3.93Å
4093	P	77.7	Confident	68.5	Low	73 Å²	73	101.6 Å²	101.6	47%	0.474	52%	0.517	S	S	.	.			trans	-54	137.9	164.8	-24	32.2	0	0	0	109.6	N4095 L4096 H4097	P4093-N4095 PolarHBondContact O-N 3.33Å; P4093-L4096 HydrophobicContact CG-CD1 4.39Å; P4093-L4096 WeakPolarHBondContact O-CB 3.41Å; P4093-L4096 PolarHBondContact O-N 2.9Å; P4093-H4097 PolarHBondContact O-CD2 2.96Å; P4093-H4097 VanDerWaalsContact O-CD2 3.31Å
4094	V	69.9	Low	66.5	Low	116 Å²	116	98.5 Å²	98.5	70%	0.703	51%	0.513	S	S	*	.	H	α-helix	trans	-50.6	-33.3	-178.5	-176.3	0	0	0	0	111.9	L4092 L4096 H4097	L4092-V4094 PolarHBondContact O-N 3.34Å; V4094-L4096 PolarHBondContact O-N 3.39Å; V4094-H4097 WeakPolarHBondContact O-CB 3.39Å; V4094-H4097 PolarHBondContact O-N 3.25Å; V4094-H4097 VanDerWaalsContact O-N 3.17Å
4095	N	76.7	Confident	64.6	Low	126 Å²	126	95.8 Å²	95.8	67%	0.674	51%	0.509	S	S	*	.	H	α-helix	trans	-57.4	-29.8	177.2	-41.6	-13	0	0	0	113.2	P4093	P4093-N4095 PolarHBondContact O-N 3.33Å
4096	L	72.2	Confident	62.5	Low	79 Å²	79	98.9 Å²	98.9	41%	0.414	53%	0.532	S	S	.	.	H	α-helix	trans	-93.2	-12.7	-176.9	-64.1	-176.6	0	0	0	113.4	L4092 P4093 V4094 R4098 F4099	L4092-L4096 HydrophobicContact CD2-CD1 4.33Å; P4093-L4096 HydrophobicContact CG-CD1 4.39Å; P4093-L4096 WeakPolarHBondContact O-CB 3.41Å; P4093-L4096 PolarHBondContact O-N 2.9Å; V4094-L4096 PolarHBondContact O-N 3.39Å; L4096-R4098 PolarHBondContact O-N 2.77Å; L4096-F4099 HydrophobicContact CD2-CD2 4.03Å; L4096-F4099 HydrophobicContact CD2-CE2 4.25Å; L4096-F4099 PolarHBondContact O-N 2.71Å
4097	H	67.5	Low	60.3	Low	56 Å²	56	99.3 Å²	99.3	26%	0.259	55%	0.545	S	S	.	.	H	α-helix	trans	-60.3	-34.3	-176.5	-69.7	-168.8	0	0	0	112.6	R4089 L4092 P4093 V4094 F4099 I4100	R4089-H4097 PolarHBondContact O-CE1 3.15Å; R4089-H4097 VanDerWaalsContact O-CE1 3.22Å; R4089-H4097 PolarHBondContact O-NE2 3.43Å; L4092-H4097 PolarHBondContact O-NE2 3.48Å; P4093-H4097 PolarHBondContact O-CD2 2.96Å; P4093-H4097 VanDerWaalsContact O-CD2 3.31Å; V4094-H4097 WeakPolarHBondContact O-CB 3.39Å; V4094-H4097 PolarHBondContact O-N 3.25Å; V4094-H4097 VanDerWaalsContact O-N 3.17Å; H4097-F4099 PolarHBondContact O-N 3.49Å; H4097-I4100 PolarHBondContact O-N 3.31Å; H4097-I4100 VanDerWaalsContact O-N 3.16Å
4098	R	67.3	Low	57.9	Low	203 Å²	203	102 Å²	102	77%	0.766	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-20.3	178.6	70.3	-179.2	-175	179.7	-0.3	114	L4096	L4096-R4098 PolarHBondContact O-N 2.77Å
4099	F	60.4	Low	55.7	Low	135 Å²	135	103.5 Å²	103.5	59%	0.592	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-4.4	-179.7	-56.8	-68.3	0	0	0	112.8	L4096 H4097 L4101	L4096-F4099 HydrophobicContact CD2-CD2 4.03Å; L4096-F4099 HydrophobicContact CD2-CE2 4.25Å; L4096-F4099 PolarHBondContact O-N 2.71Å; H4097-F4099 PolarHBondContact O-N 3.49Å; F4099-L4101 PolarHBondContact O-N 3.17Å
4100	I	60.3	Low	53.5	Low	46 Å²	46	111.3 Å²	111.3	24%	0.236	61%	0.605	C	S	.	*			trans	-87.4	94.3	176.5	-48.8	168.1	0	0	0	108.4	R4089 L4092 H4097	R4089-I4100 HydrophobicContact CG-CD1 3.95Å; L4092-I4100 HydrophobicContact CD1-CD1 3.23Å; L4092-I4100 HydrophobicContact CD1-CG1 3.93Å; H4097-I4100 PolarHBondContact O-N 3.31Å; H4097-I4100 VanDerWaalsContact O-N 3.16Å
4101	L	49.8	Very low	51	Low	119 Å²	119	110 Å²	110	62%	0.623	61%	0.607	S	S	*	*			trans	-60.2	130	172.2	-77.2	167.5	0	0	0	110.4	F4099 G4103 C4104	F4099-L4101 PolarHBondContact O-N 3.17Å; L4101-G4103 PolarHBondContact O-N 3.25Å; L4101-C4104 HydrophobicContact CB-CB 4.41Å; L4101-C4104 WeakPolarHBondContact CB-SG 3.45Å; L4101-C4104 PolarHBondContact O-N 3.49Å
4102	P	44.7	Very low	48.4	Very low	115 Å²	115	109.9 Å²	109.9	75%	0.747	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	106.8	169	-15.3	27.9	0	0	0	108.8
4103	G	42.2	Very low	45.8	Very low	59 Å²	59	112.7 Å²	112.7	61%	0.608	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	121.9	-8.2	176.5	0	0	0	0	0	116.2	L4101 I4105	L4101-G4103 PolarHBondContact O-N 3.25Å; G4103-I4105 VanDerWaalsContact C-N 3.27Å; G4103-I4105 PolarHBondContact O-N 3.48Å
4104	C	37.5	Very low	43.3	Very low	89 Å²	89	116.3 Å²	116.3	60%	0.601	65%	0.654	S	S	*	*			trans	-79.6	-1.1	-179	-67.8	0	0	0	0	115.3	L4101 S4106	L4101-C4104 HydrophobicContact CB-CB 4.41Å; L4101-C4104 WeakPolarHBondContact CB-SG 3.45Å; L4101-C4104 PolarHBondContact O-N 3.49Å; C4104-S4106 PolarHBondContact O-N 3.43Å
4105	I	36.8	Very low	41.2	Very low	93 Å²	93	114.1 Å²	114.1	48%	0.477	66%	0.655	S	S	.	*			trans	-79.6	61.8	167.2	46.3	178.4	0	0	0	110.1	L4081 T4085 G4103	L4081-I4105 HydrophobicContact CD1-CD1 3.34Å; L4081-I4105 HydrophobicContact CD1-CG1 4.05Å; L4081-I4105 HydrophobicContact CG-CD1 3.88Å; T4085-I4105 WeakPolarHBondContact OG1-CD1 3.33Å; G4103-I4105 VanDerWaalsContact C-N 3.27Å; G4103-I4105 PolarHBondContact O-N 3.48Å
4106	S	26.2	Very low	38.6	Very low	98 Å²	98	114.4 Å²	114.4	69%	0.685	66%	0.661	S	S	*	*			trans	-64	140.5	165.2	-68.1	0	0	0	0	109	C4104 L4108	C4104-S4106 PolarHBondContact O-N 3.43Å; S4106-L4108 PolarHBondContact O-N 2.77Å
4107	S	26	Very low	36.4	Very low	99 Å²	99	115.1 Å²	115.1	69%	0.692	67%	0.673	S	S	*	*			trans	-46.9	122.6	173.3	45.3	0	0	0	0	110.6	S4109	S4107-S4109 PolarHBondContact O-N 3.05Å
4108	L	26.5	Very low	34.4	Very low	173 Å²	173	116.9 Å²	116.9	91%	0.906	69%	0.692	S	S	*	*			trans	-52	102.4	172.5	-148.2	79.6	0	0	0	108	S4106	S4106-L4108 PolarHBondContact O-N 2.77Å
4109	S	25.1	Very low	32.6	Very low	96 Å²	96	114.5 Å²	114.5	67%	0.671	69%	0.689	S	S	*	*			trans	-67.5	137.8	174.9	-69.1	0	0	0	0	107.8	S4107 S4111	S4107-S4109 PolarHBondContact O-N 3.05Å; S4109-S4111 PolarHBondContact O-N 3.1Å
4110	R	23.6	Very low	30.8	Very low	256 Å²	256	118.4 Å²	118.4	97%	0.966	70%	0.701	S	S	*	*	S	Bend	trans	-71.8	34	-164.5	-139.3	171.2	173.3	-159	-1.8	114.2
4111	S	22.9	Very low	29.3	Very low	107 Å²	107	121.5 Å²	121.5	75%	0.748	72%	0.723	S	S	*	*			trans	-123.4	67.5	-173.3	-52.5	0	0	0	0	110.3	S4109	S4109-S4111 PolarHBondContact O-N 3.1Å
4112	S	24.8	Very low	28.3	Very low	110 Å²	110	122.7 Å²	122.7	77%	0.769	74%	0.735	S	S	*	*			trans	-138.2	94.4	162.6	-60.6	0	0	0	0	106.7	I4114	S4112-I4114 PolarHBondContact O-N 3.19Å
4113	S	23.7	Very low	27.7	Very low	119 Å²	119	123.7 Å²	123.7	83%	0.832	73%	0.732	S	S	*	*			trans	-61.1	126.7	174.6	58.8	0	0	0	0	108.9	G4115	S4113-G4115 PolarHBondContact O-N 2.78Å
4114	I	25.5	Very low	27.3	Very low	148 Å²	148	125.1 Å²	125.1	76%	0.759	73%	0.733	S	S	*	*			trans	-63.8	97.8	176.1	-158.4	89.9	0	0	0	108.7	S4112 T4116	S4112-I4114 PolarHBondContact O-N 3.19Å; I4114-T4116 HydrophobicContact CG1-CG2 4.27Å
4115	G	26.7	Very low	27.1	Very low	71 Å²	71	129.3 Å²	129.3	73%	0.732	75%	0.75	S	S	*	*			trans	-94.8	92.7	168.5	0	0	0	0	0	108.3	S4113 S4117	S4113-G4115 PolarHBondContact O-N 2.78Å; G4115-S4117 PolarHBondContact O-N 3.35Å
4116	T	22.2	Very low	26.8	Very low	131 Å²	131	131.2 Å²	131.2	80%	0.804	76%	0.758	S	S	*	*			trans	-71.3	94.9	175.7	52.2	0	0	0	0	109.6	I4114	I4114-T4116 HydrophobicContact CG1-CG2 4.27Å
4117	S	25.8	Very low	26.9	Very low	94 Å²	94	134.1 Å²	134.1	66%	0.657	77%	0.765	S	S	*	*			trans	-135.1	93.8	164.1	-170.8	0	0	0	0	108.6	G4115 H4119	G4115-S4117 PolarHBondContact O-N 3.35Å; S4117-H4119 VanDerWaalsContact C-N 3.35Å; S4117-H4119 PolarHBondContact O-N 2.95Å
4118	S	25.5	Very low	27.1	Very low	94 Å²	94	137.7 Å²	137.7	66%	0.657	77%	0.769	S	S	*	*			trans	-75.7	85.1	176.3	155.8	0	0	0	0	109.1
4119	H	28	Very low	27.1	Very low	153 Å²	153	135.7 Å²	135.7	71%	0.708	76%	0.758	S	S	*	*			trans	-114	104.8	156.6	-73	-69.2	0	0	0	107.7	S4117 T4121	S4117-H4119 VanDerWaalsContact C-N 3.35Å; S4117-H4119 PolarHBondContact O-N 2.95Å; H4119-T4121 PolarHBondContact O-N 2.72Å
4120	Y	24.2	Very low	27.2	Very low	217 Å²	217	135.9 Å²	135.9	85%	0.851	76%	0.76	S	S	*	*			trans	-69.3	92.7	172.8	-71.6	-90.6	0	0	0	109
4121	T	27.1	Very low	27.3	Very low	111 Å²	111	131.3 Å²	131.3	68%	0.681	75%	0.753	S	S	*	*			trans	-105.1	104.3	163.8	44.7	0	0	0	0	108.7	H4119 I4123	H4119-T4121 PolarHBondContact O-N 2.72Å; T4121-I4123 PolarHBondContact O-N 3.49Å
4122	T	29.3	Very low	27.6	Very low	143 Å²	143	130.6 Å²	130.6	88%	0.877	75%	0.748	S	S	*	*			trans	-69.6	78	171.5	51.4	0	0	0	0	109.5
4123	I	32.8	Very low	27.8	Very low	136 Å²	136	135.9 Å²	135.9	70%	0.697	75%	0.752	S	S	*	*			trans	-130.7	115.2	170.8	-61	175.8	0	0	0	106.2	T4121	T4121-I4123 PolarHBondContact O-N 3.49Å
4124	S	33.7	Very low	28.1	Very low	90 Å²	90	140 Å²	140	63%	0.629	76%	0.755	S	S	*	*	S	Bend	trans	85.1	127.2	175.5	-46.5	0	0	0	0	115.9	M4126	S4124-M4126 PolarHBondContact O-N 3.17Å
4125	D	32.6	Very low	28.6	Very low	176 Å²	176	137.7 Å²	137.7	94%	0.941	75%	0.747	S	S	*	*	S	Bend	trans	-64.6	33.9	177.9	-57.5	-48.3	0	0	0	114.4
4126	M	30.9	Very low	28.7	Very low	134 Å²	134	138.9 Å²	138.9	66%	0.66	74%	0.744	S	S	*	*			trans	-96.1	94.1	175.9	-69.6	-157.2	-70	0	0	109.8	S4124 F4128	S4124-M4126 PolarHBondContact O-N 3.17Å; M4126-F4128 HydrophobicContact CB-CD2 4.38Å; M4126-F4128 HydrophobicContact CB-CE2 4.06Å; M4126-F4128 HydrophobicContact CE-CE2 4.42Å; M4126-F4128 PolarHBondContact O-N 2.93Å; M4126-F4128 VanDerWaalsContact O-N 3.12Å
4127	L	28.8	Very low	29.3	Very low	158 Å²	158	142.5 Å²	142.5	83%	0.827	75%	0.745	S	S	*	*			trans	-71.4	99.9	167.9	-76.6	167	0	0	0	109.6	L4129	L4127-L4129 HydrophobicContact CB-CD1 4.07Å; L4127-L4129 PolarHBondContact O-N 2.94Å
4128	F	30.1	Very low	29.8	Very low	175 Å²	175	147.3 Å²	147.3	77%	0.768	75%	0.749	S	S	*	*			trans	-78.5	94	163.8	-75.4	-87.6	0	0	0	109.2	M4126 S4130	M4126-F4128 HydrophobicContact CB-CD2 4.38Å; M4126-F4128 HydrophobicContact CB-CE2 4.06Å; M4126-F4128 HydrophobicContact CE-CE2 4.42Å; M4126-F4128 PolarHBondContact O-N 2.93Å; M4126-F4128 VanDerWaalsContact O-N 3.12Å; F4128-S4130 PolarHBondContact O-N 3.26Å; F4128-S4130 VanDerWaalsContact O-N 3.08Å
4129	L	25.8	Very low	30.2	Very low	130 Å²	130	153.6 Å²	153.6	68%	0.681	76%	0.758	S	S	*	*			trans	-76.5	89.1	168.9	-78.1	102.2	0	0	0	110.2	L4127 L4131	L4127-L4129 HydrophobicContact CB-CD1 4.07Å; L4127-L4129 PolarHBondContact O-N 2.94Å; L4129-L4131 PolarHBondContact O-N 3.06Å
4130	S	28.7	Very low	30.5	Very low	101 Å²	101	152.9 Å²	152.9	71%	0.706	75%	0.754	S	S	*	*			trans	-82.7	98.5	163.1	61.1	0	0	0	0	109.6	F4128 S4132	F4128-S4130 PolarHBondContact O-N 3.26Å; F4128-S4130 VanDerWaalsContact O-N 3.08Å; S4130-S4132 VanDerWaalsContact C-N 3.32Å; S4130-S4132 PolarHBondContact O-N 2.73Å
4131	L	25.3	Very low	31	Very low	159 Å²	159	153 Å²	153	83%	0.832	75%	0.753	S	S	*	*			trans	-71.8	89	168.9	-75.8	107.8	0	0	0	109.7	L4129 R4133	L4129-L4131 PolarHBondContact O-N 3.06Å; L4131-R4133 PolarHBondContact O-N 2.95Å
4132	S	29.1	Very low	31.3	Very low	92 Å²	92	157.4 Å²	157.4	64%	0.643	76%	0.759	S	S	*	*			trans	-76	114.2	168	-58.9	0	0	0	0	108.3	S4130 K4134	S4130-S4132 VanDerWaalsContact C-N 3.32Å; S4130-S4132 PolarHBondContact O-N 2.73Å; S4132-K4134 PolarHBondContact O-N 3.24Å
4133	R	28.2	Very low	31.5	Very low	222 Å²	222	158.1 Å²	158.1	84%	0.838	75%	0.752	S	S	*	*			trans	-63.7	107.1	169.8	-70.6	178.8	-150.3	-122.1	-0.2	107.8	L4131 T4135	L4131-R4133 PolarHBondContact O-N 2.95Å; R4133-T4135 VanDerWaalsContact C-N 3.3Å; R4133-T4135 PolarHBondContact O-N 2.98Å
4134	K	30.5	Very low	31.4	Very low	206 Å²	206	159.6 Å²	159.6	90%	0.896	76%	0.756	S	S	*	*			trans	-74.9	89	170.8	-146	178.1	-177.9	-175.6	0	106.9	S4132 S4136	S4132-K4134 PolarHBondContact O-N 3.24Å; K4134-S4136 VanDerWaalsContact C-N 3.29Å; K4134-S4136 PolarHBondContact O-N 2.73Å
4135	T	34.7	Very low	31.3	Very low	99 Å²	99	162 Å²	162	61%	0.607	76%	0.757	S	S	*	*			trans	-72.3	92.1	167.2	54.2	0	0	0	0	107	R4133 Y4137	R4133-T4135 VanDerWaalsContact C-N 3.3Å; R4133-T4135 PolarHBondContact O-N 2.98Å; T4135-Y4137 VanDerWaalsContact C-N 3.34Å; T4135-Y4137 PolarHBondContact O-N 3.12Å
4136	S	30.3	Very low	31.3	Very low	96 Å²	96	161.6 Å²	161.6	67%	0.671	75%	0.749	S	S	*	*			trans	-69.2	93.4	170.1	-178.1	0	0	0	0	108.2	K4134 R4138	K4134-S4136 VanDerWaalsContact C-N 3.29Å; K4134-S4136 PolarHBondContact O-N 2.73Å; S4136-R4138 PolarHBondContact O-N 3.08Å
4137	Y	35.2	Very low	31.4	Very low	206 Å²	206	163.6 Å²	163.6	81%	0.808	76%	0.756	S	S	*	*			trans	-74.7	76.2	165.7	-77.7	-87.8	0	0	0	108.4	T4135 R4139	T4135-Y4137 VanDerWaalsContact C-N 3.34Å; T4135-Y4137 PolarHBondContact O-N 3.12Å; Y4137-R4139 VanDerWaalsContact C-N 3.34Å; Y4137-R4139 PolarHBondContact O-N 2.95Å
4138	R	34.2	Very low	31.5	Very low	196 Å²	196	164.2 Å²	164.2	74%	0.74	76%	0.755	S	S	*	*			trans	-70.1	97.9	161.6	-95.7	-168.5	178.8	-179.4	4.5	107.2	S4136 H4140	S4136-R4138 PolarHBondContact O-N 3.08Å; R4138-H4140 VanDerWaalsContact C-N 3.29Å; R4138-H4140 PolarHBondContact O-N 3.3Å
4139	R	34.5	Very low	31.5	Very low	226 Å²	226	164.1 Å²	164.1	85%	0.853	76%	0.756	S	S	*	*			trans	-57.1	94.6	162.1	-82.9	-177.1	176.6	173.8	-2.1	107.8	Y4137 R4141	Y4137-R4139 VanDerWaalsContact C-N 3.34Å; Y4137-R4139 PolarHBondContact O-N 2.95Å; R4139-R4141 VanDerWaalsContact C-N 3.29Å; R4139-R4141 PolarHBondContact O-N 2.69Å
4140	H	34.1	Very low	31.8	Very low	137 Å²	137	165.8 Å²	165.8	63%	0.634	76%	0.76	S	S	*	*			trans	-65.5	97.1	160.7	-76.3	-85.5	0	0	0	106.7	R4138 Y4142	R4138-H4140 VanDerWaalsContact C-N 3.29Å; R4138-H4140 PolarHBondContact O-N 3.3Å; H4140-Y4142 VanDerWaalsContact C-N 3.26Å; H4140-Y4142 HydrophobicContact CB-CD2 4.3Å; H4140-Y4142 HydrophobicContact CB-CE2 3.94Å; H4140-Y4142 WeakPolarHBondContact O-CD2 3.47Å; H4140-Y4142 PolarHBondContact O-N 3.48Å
4141	R	35.2	Very low	31.7	Very low	220 Å²	220	167.8 Å²	167.8	83%	0.83	76%	0.763	S	S	*	*			trans	-66.6	94.1	164.6	-76.8	-177.8	179.1	140	-3	106.3	R4139 Q4143	R4139-R4141 VanDerWaalsContact C-N 3.29Å; R4139-R4141 PolarHBondContact O-N 2.69Å; R4141-Q4143 VanDerWaalsContact C-N 3.32Å; R4141-Q4143 PolarHBondContact O-N 3.25Å
4142	Y	33.8	Very low	32	Very low	203 Å²	203	168 Å²	168	80%	0.796	76%	0.759	S	S	*	*			trans	-63.6	99.2	163.1	-72.7	-87.1	0	0	0	107.1	H4140 H4144	H4140-Y4142 VanDerWaalsContact C-N 3.26Å; H4140-Y4142 HydrophobicContact CB-CD2 4.3Å; H4140-Y4142 HydrophobicContact CB-CE2 3.94Å; H4140-Y4142 WeakPolarHBondContact O-CD2 3.47Å; H4140-Y4142 PolarHBondContact O-N 3.48Å; Y4142-H4144 PolarHBondContact O-N 2.83Å
4143	Q	33.7	Very low	32	Very low	159 Å²	159	168.5 Å²	168.5	74%	0.743	76%	0.763	S	S	*	*			trans	-70.1	91.5	162.9	-76.9	-168.6	-20.5	0	0	106.7	R4141 H4145	R4141-Q4143 VanDerWaalsContact C-N 3.32Å; R4141-Q4143 PolarHBondContact O-N 3.25Å; Q4143-H4145 VanDerWaalsContact C-N 3.33Å; Q4143-H4145 PolarHBondContact O-N 2.92Å
4144	H	29.9	Very low	32.3	Very low	166 Å²	166	165.2 Å²	165.2	77%	0.769	76%	0.762	S	S	*	*			trans	-61.4	98.1	167	-125.7	-85.2	0	0	0	107.4	Y4142 H4146	Y4142-H4144 PolarHBondContact O-N 2.83Å; H4144-H4146 PolarHBondContact O-N 3.23Å; H4144-H4146 VanDerWaalsContact O-N 3.14Å
4145	H	32.6	Very low	32.4	Very low	141 Å²	141	164.1 Å²	164.1	65%	0.653	76%	0.76	S	S	*	*			trans	-70.5	106.1	169.7	-84.6	18	0	0	0	107.5	Q4143 H4147	Q4143-H4145 VanDerWaalsContact C-N 3.33Å; Q4143-H4145 PolarHBondContact O-N 2.92Å; H4145-H4147 PolarHBondContact O-N 3.21Å
4146	H	32.8	Very low	32.1	Very low	168 Å²	168	167.9 Å²	167.9	78%	0.778	77%	0.771	S	S	*	*			trans	-54.3	103.2	166.5	-78.6	-79.7	0	0	0	109.1	H4144 H4148	H4144-H4146 PolarHBondContact O-N 3.23Å; H4144-H4146 VanDerWaalsContact O-N 3.14Å; H4146-H4148 PolarHBondContact O-N 3.06Å
4147	H	32.1	Very low	32.1	Very low	175 Å²	175	170.6 Å²	170.6	81%	0.81	77%	0.773	S	S	*	*			trans	-82.9	110.1	163.2	-92.4	14.1	0	0	0	108.3	H4145 H4149	H4145-H4147 PolarHBondContact O-N 3.21Å; H4147-H4149 PolarHBondContact O-N 3.33Å
4148	H	31.6	Very low	32	Very low	171 Å²	171	171.2 Å²	171.2	79%	0.792	78%	0.775	S	S	*	*			trans	-57.1	122	177.7	-87.9	-78.8	0	0	0	111	H4146 H4150	H4146-H4148 PolarHBondContact O-N 3.06Å; H4148-H4150 PolarHBondContact O-N 3.25Å; H4148-H4150 VanDerWaalsContact O-N 3.17Å
4149	H	28.8	Very low	32	Very low	174 Å²	174	170.8 Å²	170.8	81%	0.806	78%	0.775	S	S	*	*			trans	-47.4	115.2	159.3	-74.9	-85	0	0	0	110.4	H4147	H4147-H4149 PolarHBondContact O-N 3.33Å
4150	H	31.8	Very low	31.8	Very low	165 Å²	165	168.1 Å²	168.1	76%	0.764	77%	0.772	S	S	*	*			trans	-105.2	103.7	158	-100.1	53.9	0	0	0	108	H4148 H4152	H4148-H4150 PolarHBondContact O-N 3.25Å; H4148-H4150 VanDerWaalsContact O-N 3.17Å; H4150-H4152 PolarHBondContact O-N 2.92Å
4151	N	27.9	Very low	31.8	Very low	142 Å²	142	170.5 Å²	170.5	76%	0.759	78%	0.783	S	S	*	*			trans	-60.4	108.7	167.7	-71.5	-36.2	0	0	0	109
4152	H	31.6	Very low	31.6	Very low	164 Å²	164	168.4 Å²	168.4	76%	0.759	78%	0.782	S	S	*	*			trans	-110.1	98.8	155.2	-96.4	-62.5	0	0	0	108.5	H4150 D4154	H4150-H4152 PolarHBondContact O-N 2.92Å; H4152-D4154 PolarHBondContact O-N 2.79Å
4153	S	29.3	Very low	31.3	Very low	102 Å²	102	165.9 Å²	165.9	71%	0.713	78%	0.778	S	S	*	*			trans	-67.8	100.3	166.8	40.6	0	0	0	0	109.6
4154	D	34.6	Very low	31.5	Very low	154 Å²	154	166.1 Å²	166.1	82%	0.824	78%	0.784	S	S	*	*			trans	-100.5	124.3	164	-78.6	-30.6	0	0	0	110	H4152	H4152-D4154 PolarHBondContact O-N 2.79Å
4155	Q	31.2	Very low	31.5	Very low	182 Å²	182	165.9 Å²	165.9	85%	0.85	78%	0.781	S	S	*	*			trans	-74.6	127.4	-170.7	-69.2	167.6	-4.4	0	0	111.5
4156	Q	28.4	Very low	31.4	Very low	178 Å²	178	170 Å²	170	83%	0.832	79%	0.792	S	S	*	*			trans	18.9	106.8	134.5	-58.3	178.8	18.8	0	0	116.9
4157	Q	31.7	Very low	31.3	Very low	154 Å²	154	166.4 Å²	166.4	72%	0.72	78%	0.782	S	S	*	*			trans	-134.2	89.1	140.6	-72.7	-151.6	0.6	0	0	109.4	Y4159	Q4157-Y4159 HydrophobicContact CB-CD2 4.38Å; Q4157-Y4159 HydrophobicContact CB-CE2 4.18Å; Q4157-Y4159 PolarHBondContact O-N 2.94Å; Q4157-Y4159 PolarHBondContact OE1-OH 2.81Å
4158	Y	31.3	Very low	31.4	Very low	219 Å²	219	163.4 Å²	163.4	86%	0.859	78%	0.781	S	S	*	*			trans	-68.5	103.5	164.8	-104.5	-106.2	0	0	0	108.2	H4160	Y4158-H4160 PolarHBondContact O-N 2.9Å
4159	Y	35.2	Very low	31.3	Very low	187 Å²	187	162.1 Å²	162.1	73%	0.733	78%	0.78	S	S	*	*			trans	-85.3	108.2	167.1	-87.6	-85.6	0	0	0	109.2	Q4157	Q4157-Y4159 HydrophobicContact CB-CD2 4.38Å; Q4157-Y4159 HydrophobicContact CB-CE2 4.18Å; Q4157-Y4159 PolarHBondContact O-N 2.94Å; Q4157-Y4159 PolarHBondContact OE1-OH 2.81Å
4160	H	29.2	Very low	31.9	Very low	170 Å²	170	159.4 Å²	159.4	79%	0.787	78%	0.775	S	S	*	*			trans	-53.7	129	166.5	-79.5	-83.6	0	0	0	111	Y4158	Y4158-H4160 PolarHBondContact O-N 2.9Å
4161	H	34.2	Very low	32.1	Very low	187 Å²	187	158.4 Å²	158.4	87%	0.866	78%	0.776	S	S	*	*			trans	-121.1	108.4	155.9	-91.7	41.2	0	0	0	108
4162	E	32.2	Very low	32.2	Very low	175 Å²	175	159 Å²	159	82%	0.818	78%	0.778	S	S	*	*			trans	-64.2	125.3	172.3	-70.4	173.7	141	0	0	109.5
4163	H	28.3	Very low	32.5	Very low	150 Å²	150	158.8 Å²	158.8	69%	0.694	78%	0.783	S	S	*	*				47.7	100	103	-79.2	-60.1	0	0	0	115.8	F4165	H4163-F4165 AromaticContact CE1-CE2 3.71Å; H4163-F4165 AromaticContact ND1-CD2 3.7Å; H4163-F4165 AromaticContact ND1-CE2 3.46Å; H4163-F4165 WeakPolarHBondContact ND1-CE2 3.24Å
4164	D	36.5	Very low	32.6	Very low	164 Å²	164	161.6 Å²	161.6	88%	0.877	79%	0.79	S	S	*	*			trans	-131.3	102.2	145.2	-86.9	-35.7	0	0	0	109.3
4165	F	29.7	Very low	32.6	Very low	161 Å²	161	162.7 Å²	162.7	71%	0.706	79%	0.79	S	S	*	*			trans	-72.2	121.9	171.2	-95.5	-101.7	0	0	0	109.5	H4163	H4163-F4165 AromaticContact CE1-CE2 3.71Å; H4163-F4165 AromaticContact ND1-CD2 3.7Å; H4163-F4165 AromaticContact ND1-CE2 3.46Å; H4163-F4165 WeakPolarHBondContact ND1-CE2 3.24Å
4166	Y	30.9	Very low	32.5	Very low	228 Å²	228	158.6 Å²	158.6	89%	0.894	78%	0.782	S	S	*	*			trans	-91.7	104.3	158.4	-103.7	-91	0	0	0	109.6
4167	V	30.4	Very low	32.4	Very low	93 Å²	93	157.9 Å²	157.9	56%	0.564	78%	0.782	S	S	*	*			trans	-72.3	130.8	168.6	175.2	0	0	0	0	108.5	D4169	V4167-D4169 HydrophobicContact CG1-CB 4.45Å; V4167-D4169 WeakPolarHBondContact CG1-OD2 3.45Å
4168	S	34.3	Very low	32.4	Very low	112 Å²	112	158.7 Å²	158.7	78%	0.783	79%	0.785	S	S	*	*			trans	-133.2	86.9	160.2	-72.8	0	0	0	0	107.5	V4170	S4168-V4170 PolarHBondContact O-N 3.15Å
4169	D	30.6	Very low	32.3	Very low	144 Å²	144	159.1 Å²	159.1	77%	0.77	79%	0.786	S	S	*	*			trans	-71.3	103.6	165.2	-73.3	-34.9	0	0	0	109	V4167	V4167-D4169 HydrophobicContact CG1-CB 4.45Å; V4167-D4169 WeakPolarHBondContact CG1-OD2 3.45Å
4170	V	39.8	Very low	32	Very low	117 Å²	117	156.9 Å²	156.9	71%	0.709	79%	0.786	S	S	*	*			trans	-149.9	109.6	160.6	-173.1	0	0	0	0	111.4	S4168	S4168-V4170 PolarHBondContact O-N 3.15Å
4171	N	36.2	Very low	32.1	Very low	144 Å²	144	155.9 Å²	155.9	77%	0.77	79%	0.786	S	S	*	*			trans	78	98.7	149.8	-58.8	-14.9	0	0	0	119.8
4172	D	31.6	Very low	31.9	Very low	153 Å²	153	156 Å²	156	82%	0.818	79%	0.787	S	S	*	*			trans	-45.5	127.5	141.7	-58.2	-61.5	0	0	0	111.6
4173	D	36.8	Very low	31.9	Very low	161 Å²	161	154 Å²	154	86%	0.861	78%	0.781	S	S	*	*			trans	-146.7	106.2	147.3	-93.6	-37.3	0	0	0	108.6	Q4175	D4173-Q4175 PolarHBondContact O-N 3.38Å
4174	D	31.3	Very low	32.1	Very low	160 Å²	160	156 Å²	156	86%	0.856	79%	0.788	S	S	*	*			trans	-52.2	111.3	170.8	-71	-54	0	0	0	111.9
4175	Q	35.4	Very low	31.8	Very low	178 Å²	178	157 Å²	157	83%	0.832	79%	0.787	S	S	*	*			trans	-137.9	98.8	149.7	-74.1	-152.9	23.1	0	0	112.5	D4173	D4173-Q4175 PolarHBondContact O-N 3.38Å
4176	S	28.9	Very low	32.1	Very low	96 Å²	96	154.5 Å²	154.5	67%	0.671	79%	0.787	S	S	*	*			trans	46.2	95.7	137	68.6	0	0	0	0	118	H4178	S4176-H4178 PolarHBondContact O-N 3.07Å
4177	I	27.1	Very low	32.2	Very low	162 Å²	162	155.2 Å²	155.2	83%	0.831	79%	0.788	S	S	*	*				-1.1	92.9	118.5	-54.8	165.7	0	0	0	112.9
4178	H	30.1	Very low	32.2	Very low	171 Å²	171	158.4 Å²	158.4	79%	0.792	80%	0.799	S	S	*	*			trans	173.4	98.1	142.5	-98.5	-37.1	0	0	0	109.3	S4176	S4176-H4178 PolarHBondContact O-N 3.07Å
4179	R	28.8	Very low	32.5	Very low	229 Å²	229	157.9 Å²	157.9	86%	0.864	79%	0.793	S	S	*	*	S	Bend		175.7	108.1	118.6	-96.3	166.7	-175.6	-177	2.7	109.7
4180	N	29.2	Very low	32.9	Very low	140 Å²	140	157 Å²	157	75%	0.749	79%	0.788	S	S	*	*			trans	57.3	87.9	140.1	-59.9	-12.2	0	0	0	115.2	Q4182	N4180-Q4182 VanDerWaalsContact C-N 3.3Å; N4180-Q4182 PolarHBondContact O-N 3.43Å
4181	D	31.6	Very low	33	Very low	148 Å²	148	155 Å²	155	79%	0.791	78%	0.779	S	S	*	*			trans	-31.2	99.6	133.2	-60.9	-48.8	0	0	0	109.8	I4183	D4181-I4183 HydrophobicContact CB-CG1 3.82Å; D4181-I4183 PolarHBondContact O-N 2.83Å
4182	Q	30.2	Very low	33.4	Very low	189 Å²	189	153.7 Å²	153.7	88%	0.883	78%	0.776	S	S	*	*			trans	-69.9	80.8	151.6	-74.3	-168	13.1	0	0	105.6	N4180 K4184	N4180-Q4182 VanDerWaalsContact C-N 3.3Å; N4180-Q4182 PolarHBondContact O-N 3.43Å; Q4182-K4184 PolarHBondContact O-N 2.97Å
4183	I	33.3	Very low	33.8	Very low	134 Å²	134	152.6 Å²	152.6	69%	0.687	77%	0.766	S	S	*	*			trans	-50.2	111	165.5	-65.9	174.3	0	0	0	105.5	D4181 Q4185	D4181-I4183 HydrophobicContact CB-CG1 3.82Å; D4181-I4183 PolarHBondContact O-N 2.83Å; I4183-Q4185 VanDerWaalsContact C-N 3.34Å; I4183-Q4185 PolarHBondContact O-N 3.25Å
4184	K	31.9	Very low	34	Very low	193 Å²	193	150.4 Å²	150.4	84%	0.839	75%	0.754	S	S	*	*			trans	-26	97.3	157.4	-67	173.4	176.6	178.9	0	108.8	Q4182 P4186	Q4182-K4184 PolarHBondContact O-N 2.97Å; K4184-P4186 WeakPolarHBondContact O-CD 3.25Å
4185	Q	28.9	Very low	34.4	Very low	183 Å²	183	150.8 Å²	150.8	86%	0.855	75%	0.745	S	S	*	*			trans	-65.9	122.5	166.9	-74	-147	9.6	0	0	106.2	I4183 R4187	I4183-Q4185 VanDerWaalsContact C-N 3.34Å; I4183-Q4185 PolarHBondContact O-N 3.25Å; Q4185-R4187 PolarHBondContact O-N 2.99Å
4186	P	36.4	Very low	34.8	Very low	109 Å²	109	150.1 Å²	150.1	71%	0.708	74%	0.74	S	S	*	*			trans	-60.3	125.9	-178.4	23.5	-30.9	0	0	0	108.3	K4184 M4188	K4184-P4186 WeakPolarHBondContact O-CD 3.25Å; P4186-M4188 PolarHBondContact O-N 2.7Å
4187	R	32.6	Very low	35.2	Very low	243 Å²	243	153.3 Å²	153.3	92%	0.917	74%	0.738	S	S	*	*			trans	-46.2	108.5	166.9	-121.9	177.8	-169.2	168.7	2	107.1	Q4185	Q4185-R4187 PolarHBondContact O-N 2.99Å
4188	M	32	Very low	36	Very low	161 Å²	161	151.3 Å²	151.3	79%	0.793	73%	0.725	S	S	*	*			trans	-58.1	128.7	169.2	-81.6	-74.2	175.4	0	0	107.2	P4186 N4190	P4186-M4188 PolarHBondContact O-N 2.7Å; M4188-N4190 PolarHBondContact O-N 3.09Å
4189	P	40.2	Very low	36.8	Very low	101 Å²	101	149.8 Å²	149.8	66%	0.656	72%	0.718	S	S	*	*			trans	-58.1	140.7	-178.2	21.7	-30.8	0	0	0	109.9	S4191	P4189-S4191 PolarHBondContact O-N 3.33Å
4190	N	39.3	Very low	37.3	Very low	125 Å²	125	145.7 Å²	145.7	67%	0.668	71%	0.707	S	S	*	*	S	Bend	trans	-62.2	25.9	-175	-79.6	-19.5	0	0	0	115.5	M4188 V4192 Q4193	M4188-N4190 PolarHBondContact O-N 3.09Å; N4190-V4192 PolarHBondContact O-N 3.07Å; N4190-Q4193 PolarHBondContact O-N 3.49Å
4191	S	41.6	Very low	37.7	Very low	75 Å²	75	143.8 Å²	143.8	52%	0.524	70%	0.697	S	S	.	*	H	α-helix	trans	-66.8	-7.7	177.2	74	0	0	0	0	113.6	P4189 Y4195	P4189-S4191 PolarHBondContact O-N 3.33Å; S4191-Y4195 WeakPolarHBondContact O-CD2 3.5Å
4192	V	44.7	Very low	38	Very low	117 Å²	117	142.4 Å²	142.4	71%	0.709	69%	0.686	S	S	*	*	H	α-helix	trans	-88.3	-21.8	176	-173.2	0	0	0	0	112.3	N4190	N4190-V4192 PolarHBondContact O-N 3.07Å
4193	Q	40	Very low	38.5	Very low	129 Å²	129	141.5 Å²	141.5	60%	0.603	68%	0.679	S	S	*	*	H	α-helix	trans	-76.9	-33.2	176.5	-84	-168.8	-18	0	0	112.6	N4190 Y4195 K4196 Y4197	N4190-Q4193 PolarHBondContact O-N 3.49Å; Q4193-Y4195 VanDerWaalsContact C-N 3.32Å; Q4193-Y4195 PolarHBondContact O-N 2.84Å; Q4193-K4196 PolarHBondContact O-N 2.88Å; Q4193-K4196 VanDerWaalsContact O-N 3.1Å; Q4193-Y4197 PolarHBondContact O-N 3.02Å
4194	D	39.4	Very low	38.6	Very low	115 Å²	115	142.9 Å²	142.9	62%	0.615	68%	0.676	S	S	*	*	H	α-helix	trans	-65.8	-32.9	176.1	-86.2	-21.8	0	0	0	113.2	K4196 Y4197 Q4198	D4194-K4196 VanDerWaalsContact C-N 3.25Å; D4194-K4196 PolarHBondContact O-N 3.19Å; D4194-Y4197 PolarHBondContact O-N 2.83Å; D4194-Q4198 PolarHBondContact O-N 3.08Å
4195	Y	41	Very low	38.7	Very low	168 Å²	168	139.6 Å²	139.6	66%	0.659	67%	0.667	S	S	*	*	H	α-helix	trans	-66.2	-28.2	174.2	-90.6	-81.8	0	0	0	112.9	S4191 Q4193 Q4199	S4191-Y4195 WeakPolarHBondContact O-CD2 3.5Å; Q4193-Y4195 VanDerWaalsContact C-N 3.32Å; Q4193-Y4195 PolarHBondContact O-N 2.84Å; Y4195-Q4199 PolarHBondContact O-N 3.43Å
4196	K	42.6	Very low	39.1	Very low	165 Å²	165	137.2 Å²	137.2	72%	0.717	66%	0.66	S	S	*	*	H	α-helix	trans	-79	-34.5	176.9	-124.4	178.4	-170.4	176.4	0	112.3	Q4193 D4194 K4200	Q4193-K4196 PolarHBondContact O-N 2.88Å; Q4193-K4196 VanDerWaalsContact O-N 3.1Å; D4194-K4196 VanDerWaalsContact C-N 3.25Å; D4194-K4196 PolarHBondContact O-N 3.19Å; K4196-K4200 PolarHBondContact O-N 2.98Å; K4196-K4200 VanDerWaalsContact O-N 3.17Å
4197	Y	38.6	Very low	39.2	Very low	162 Å²	162	140.1 Å²	140.1	64%	0.635	66%	0.661	S	S	*	*	H	α-helix	trans	-71.7	-37.6	174.5	-89.8	-86.5	0	0	0	112.3	Q4193 D4194 Q4199 K4200 N4201	Q4193-Y4197 PolarHBondContact O-N 3.02Å; D4194-Y4197 PolarHBondContact O-N 2.83Å; Y4197-Q4199 PolarHBondContact O-N 3.42Å; Y4197-K4200 PolarHBondContact O-N 2.79Å; Y4197-N4201 PolarHBondContact O-N 2.61Å
4198	Q	43	Very low	39.5	Very low	120 Å²	120	137.7 Å²	137.7	56%	0.561	65%	0.654	S	S	*	*	H	α-helix	trans	-65.4	-38.1	173.6	-74.9	-161.3	-11.5	0	0	112.8	D4194 N4201 Q4202	D4194-Q4198 PolarHBondContact O-N 3.08Å; Q4198-N4201 PolarHBondContact O-N 3.25Å; Q4198-Q4202 WeakPolarHBondContact O-CB 3.43Å; Q4198-Q4202 WeakPolarHBondContact O-CG 3.4Å; Q4198-Q4202 PolarHBondContact O-N 3.13Å
4199	Q	46.6	Very low	39.4	Very low	139 Å²	139	134.3 Å²	134.3	65%	0.65	65%	0.645	S	S	*	*	H	α-helix	trans	-68.3	-33.9	174.9	-79.7	-163.8	8.5	0	0	113.5	Y4195 Y4197 K4203	Y4195-Q4199 PolarHBondContact O-N 3.43Å; Y4197-Q4199 PolarHBondContact O-N 3.42Å; Q4199-K4203 PolarHBondContact O-N 2.93Å; Q4199-K4203 VanDerWaalsContact O-N 3.09Å
4200	K	40.9	Very low	39.2	Very low	143 Å²	143	134.7 Å²	134.7	62%	0.622	64%	0.641	S	S	*	*	H	α-helix	trans	-67.1	-45	174.4	-97	-176	175.6	-179.3	0	111.3	K4196 Y4197 Q4202 K4203 Y4204	K4196-K4200 PolarHBondContact O-N 2.98Å; K4196-K4200 VanDerWaalsContact O-N 3.17Å; Y4197-K4200 PolarHBondContact O-N 2.79Å; K4200-Q4202 PolarHBondContact O-N 2.81Å; K4200-K4203 PolarHBondContact O-N 2.79Å; K4200-Y4204 WeakPolarHBondContact O-CD2 3.25Å; K4200-Y4204 PolarHBondContact O-N 2.68Å; K4200-Y4204 VanDerWaalsContact O-N 3.15Å
4201	N	37.1	Very low	39.1	Very low	101 Å²	101	133.2 Å²	133.2	54%	0.54	63%	0.633	S	S	.	*	H	α-helix	trans	-68.9	-33	178.8	-83	-22.6	0	0	0	113.1	Y4197 Q4198 K4203 Y4204 L4205	Y4197-N4201 PolarHBondContact O-N 2.61Å; Q4198-N4201 PolarHBondContact O-N 3.25Å; N4201-K4203 VanDerWaalsContact C-N 3.34Å; N4201-K4203 PolarHBondContact O-N 2.99Å; N4201-Y4204 PolarHBondContact O-N 2.83Å; N4201-L4205 WeakPolarHBondContact O-CB 3.46Å; N4201-L4205 PolarHBondContact O-N 2.87Å
4202	Q	38.4	Very low	38.8	Very low	119 Å²	119	135.8 Å²	135.8	56%	0.556	64%	0.641	S	S	*	*	H	α-helix	trans	-66.9	-34.3	171.3	-75.1	-175.5	0.2	0	0	112.5	Q4198 K4200 Y4204 L4205 L4206	Q4198-Q4202 WeakPolarHBondContact O-CB 3.43Å; Q4198-Q4202 WeakPolarHBondContact O-CG 3.4Å; Q4198-Q4202 PolarHBondContact O-N 3.13Å; K4200-Q4202 PolarHBondContact O-N 2.81Å; Q4202-Y4204 VanDerWaalsContact C-N 3.33Å; Q4202-Y4204 PolarHBondContact O-N 2.64Å; Q4202-L4205 PolarHBondContact O-N 2.69Å; Q4202-L4206 WeakPolarHBondContact O-CB 3.47Å; Q4202-L4206 WeakPolarHBondContact O-CD1 3.47Å; Q4202-L4206 PolarHBondContact O-N 3.38Å
4203	K	39.5	Very low	38.5	Very low	169 Å²	169	140 Å²	140	74%	0.735	64%	0.644	S	S	*	*	H	α-helix	trans	-67.7	-31.2	174	-106.4	-179.6	179	175.9	0	113.4	Q4199 K4200 N4201	Q4199-K4203 PolarHBondContact O-N 2.93Å; Q4199-K4203 VanDerWaalsContact O-N 3.09Å; K4200-K4203 PolarHBondContact O-N 2.79Å; N4201-K4203 VanDerWaalsContact C-N 3.34Å; N4201-K4203 PolarHBondContact O-N 2.99Å
4204	Y	35.7	Very low	38.4	Very low	163 Å²	163	141.3 Å²	141.3	64%	0.639	65%	0.648	S	S	*	*	H	α-helix	trans	-79	-34.8	174.8	-74.8	-73.6	0	0	0	112.8	K4200 N4201 Q4202 K4207	K4200-Y4204 WeakPolarHBondContact O-CD2 3.25Å; K4200-Y4204 PolarHBondContact O-N 2.68Å; K4200-Y4204 VanDerWaalsContact O-N 3.15Å; N4201-Y4204 PolarHBondContact O-N 2.83Å; Q4202-Y4204 VanDerWaalsContact C-N 3.33Å; Q4202-Y4204 PolarHBondContact O-N 2.64Å; Y4204-K4207 PolarHBondContact O-N 3.19Å
4205	L	34.6	Very low	38.2	Very low	125 Å²	125	146 Å²	146	65%	0.654	66%	0.657	S	S	*	*	H	α-helix	trans	-73.5	-32.6	175.5	-89.5	153	0	0	0	113.4	N4201 Q4202 K4207 S4209	N4201-L4205 WeakPolarHBondContact O-CB 3.46Å; N4201-L4205 PolarHBondContact O-N 2.87Å; Q4202-L4205 PolarHBondContact O-N 2.69Å; L4205-K4207 VanDerWaalsContact C-N 3.32Å; L4205-K4207 PolarHBondContact O-N 2.82Å; L4205-S4209 PolarHBondContact O-N 3.2Å
4206	L	36.8	Very low	37.9	Very low	132 Å²	132	142.4 Å²	142.4	69%	0.691	66%	0.662	S	S	*	*	H	α-helix	trans	-74.2	-21	175.1	-99.1	81.9	0	0	0	113.5	Q4202 Y4208	Q4202-L4206 WeakPolarHBondContact O-CB 3.47Å; Q4202-L4206 WeakPolarHBondContact O-CD1 3.47Å; Q4202-L4206 PolarHBondContact O-N 3.38Å; L4206-Y4208 PolarHBondContact O-N 3.43Å
4207	K	38.3	Very low	37.5	Very low	170 Å²	170	138.8 Å²	138.8	74%	0.739	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-10.7	-179	-150.2	164.6	-176.1	178	0	113.6	Y4204 L4205	Y4204-K4207 PolarHBondContact O-N 3.19Å; L4205-K4207 VanDerWaalsContact C-N 3.32Å; L4205-K4207 PolarHBondContact O-N 2.82Å
4208	Y	38.2	Very low	37.3	Very low	193 Å²	193	135.9 Å²	135.9	76%	0.757	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.2	7.4	177.8	-66.2	-72.5	0	0	0	115.2	L4206 I4210	L4206-Y4208 PolarHBondContact O-N 3.43Å; Y4208-I4210 PolarHBondContact O-N 2.79Å
4209	S	31.5	Very low	37.2	Very low	89 Å²	89	134.9 Å²	134.9	62%	0.622	66%	0.657	S	S	*	*			trans	-75.1	79.9	157.9	-73.2	0	0	0	0	107.8	L4205 D4211	L4205-S4209 PolarHBondContact O-N 3.2Å; S4209-D4211 PolarHBondContact O-N 2.7Å
4210	I	35.8	Very low	37	Very low	109 Å²	109	136.4 Å²	136.4	56%	0.559	66%	0.664	S	S	*	*			trans	-59.3	102	158.3	-61.5	170.7	0	0	0	104	Y4208 N4212	Y4208-I4210 PolarHBondContact O-N 2.79Å; I4210-N4212 PolarHBondContact O-N 3.03Å
4211	D	37	Very low	36.8	Very low	94 Å²	94	136.1 Å²	136.1	50%	0.503	67%	0.668	S	S	.	*			trans	-64.3	89.1	174.6	-164.4	2.3	0	0	0	106.9	S4209 R4213 K4214	S4209-D4211 PolarHBondContact O-N 2.7Å; D4211-R4213 PolarHBondContact O-N 3.25Å; D4211-K4214 PolarHBondContact O-N 2.79Å
4212	N	35.6	Very low	36.6	Very low	129 Å²	129	138.5 Å²	138.5	69%	0.69	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-5.5	179.7	-76.4	-28.5	0	0	0	111.8	I4210	I4210-N4212 PolarHBondContact O-N 3.03Å
4213	R	38	Very low	36.4	Very low	205 Å²	205	140.6 Å²	140.6	77%	0.774	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-30.7	169.2	-86	-179.4	175.3	168.4	-0.6	114	D4211 W4215 A4216	D4211-R4213 PolarHBondContact O-N 3.25Å; R4213-W4215 PolarHBondContact O-N 3.19Å; R4213-A4216 PolarHBondContact O-N 2.79Å
4214	K	37	Very low	36	Very low	157 Å²	157	137.4 Å²	137.4	68%	0.683	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-69.6	-21.4	180	-76.9	-167.6	176.1	-174	0	113.4	D4211 A4216	D4211-K4214 PolarHBondContact O-N 2.79Å; K4214-A4216 PolarHBondContact O-N 2.89Å
4215	W	36.8	Very low	35.8	Very low	215 Å²	215	134.5 Å²	134.5	81%	0.814	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-78.5	-9	178.7	-66.6	66.7	0	0	0	113.1	R4213	R4213-W4215 PolarHBondContact O-N 3.19Å
4216	A	34.2	Very low	35.6	Very low	92 Å²	92	133.6 Å²	133.6	76%	0.76	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-96.7	-3.8	177.9	0	0	0	0	0	113.8	R4213 K4214	R4213-A4216 PolarHBondContact O-N 2.79Å; K4214-A4216 PolarHBondContact O-N 2.89Å
4217	S	34.8	Very low	35.2	Very low	89 Å²	89	132.5 Å²	132.5	62%	0.622	69%	0.691	S	S	*	*			trans	-142.7	34.7	-171.3	55.4	0	0	0	0	113.9	P4219	S4217-P4219 VanDerWaalsContact C-CD 3.44Å; S4217-P4219 WeakPolarHBondContact O-CD 3.36Å
4218	D	33.1	Very low	34.8	Very low	100 Å²	100	131.9 Å²	131.9	54%	0.535	69%	0.691	S	S	.	*			trans	-98.6	89.6	166	-144.9	-14.6	0	0	0	109.3	E4220 L4221	D4218-E4220 PolarHBondContact O-N 3.4Å; D4218-E4220 VanDerWaalsContact O-N 3.13Å; D4218-L4221 PolarHBondContact O-N 3.42Å
4219	P	40.6	Very low	34.5	Very low	99 Å²	99	128.1 Å²	128.1	64%	0.643	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-66.9	-5.9	-179.8	26	-33.3	0	0	0	113.5	S4217 L4221	S4217-P4219 VanDerWaalsContact C-CD 3.44Å; S4217-P4219 WeakPolarHBondContact O-CD 3.36Å; P4219-L4221 VanDerWaalsContact C-N 3.35Å
4220	E	42.9	Very low	34.5	Very low	172 Å²	172	129.9 Å²	129.9	80%	0.804	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-81.6	-11.7	175.6	-66.4	-167.5	173.6	0	0	113.7	D4218 Q4222	D4218-E4220 PolarHBondContact O-N 3.4Å; D4218-E4220 VanDerWaalsContact O-N 3.13Å; E4220-Q4222 PolarHBondContact O-N 3.27Å
4221	L	36	Very low	34.5	Very low	137 Å²	137	130.8 Å²	130.8	72%	0.717	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-88.6	34.1	167.1	-67.6	176.9	0	0	0	112.1	D4218 P4219 L4223	D4218-L4221 PolarHBondContact O-N 3.42Å; P4219-L4221 VanDerWaalsContact C-N 3.35Å; L4221-L4223 PolarHBondContact O-N 3.31Å
4222	Q	33.5	Very low	34.3	Very low	150 Å²	150	134.5 Å²	134.5	70%	0.701	71%	0.708	S	S	*	*			trans	-60.9	91.6	149.5	-74.2	-169.9	14.4	0	0	106.7	E4220 T4224	E4220-Q4222 PolarHBondContact O-N 3.27Å; Q4222-T4224 PolarHBondContact O-N 2.73Å
4223	L	33.9	Very low	34.3	Very low	163 Å²	163	135.4 Å²	135.4	85%	0.853	71%	0.711	S	S	*	*			trans	-52.7	88.9	151.5	-70.7	168	0	0	0	104.9	L4221 S4225	L4221-L4223 PolarHBondContact O-N 3.31Å; L4223-S4225 PolarHBondContact O-N 3.15Å
4224	T	31.3	Very low	33.8	Very low	103 Å²	103	136.1 Å²	136.1	63%	0.632	72%	0.716	S	S	*	*			trans	-60.2	93.5	162.6	48.2	0	0	0	0	103.7	Q4222 T4226	Q4222-T4224 PolarHBondContact O-N 2.73Å; T4224-T4226 PolarHBondContact O-N 2.89Å; T4224-T4226 PolarHBondContact O-OG1 3Å
4225	S	32.2	Very low	33.6	Very low	102 Å²	102	140.9 Å²	140.9	71%	0.713	74%	0.74	S	S	*	*			trans	-65.3	68.5	155.5	61.7	0	0	0	0	105.7	L4223 C4227	L4223-S4225 PolarHBondContact O-N 3.15Å; S4225-C4227 PolarHBondContact O-N 3.24Å
4226	T	30.8	Very low	33.5	Very low	106 Å²	106	137.2 Å²	137.2	65%	0.65	74%	0.736	S	S	*	*			trans	-61.3	86	149.2	24.9	0	0	0	0	104.2	T4224 Q4228	T4224-T4226 PolarHBondContact O-N 2.89Å; T4224-T4226 PolarHBondContact O-OG1 3Å; T4226-Q4228 PolarHBondContact O-N 3.36Å
4227	C	27.7	Very low	33.5	Very low	108 Å²	108	139.5 Å²	139.5	73%	0.73	74%	0.735	S	S	*	*			trans	-56.7	84.5	151.7	-65.2	0	0	0	0	104.8	S4225 V4229	S4225-C4227 PolarHBondContact O-N 3.24Å; C4227-V4229 PolarHBondContact O-N 3.41Å
4228	Q	29.3	Very low	33.4	Very low	158 Å²	158	142.3 Å²	142.3	74%	0.738	74%	0.741	S	S	*	*			trans	-62.9	91.2	157.8	-78.6	-179.1	-13.5	0	0	104.2	T4226 I4230	T4226-Q4228 PolarHBondContact O-N 3.36Å; Q4228-I4230 HydrophobicContact CB-CG1 4.44Å; Q4228-I4230 PolarHBondContact O-N 3.12Å
4229	V	32.6	Very low	33.4	Very low	114 Å²	114	144.8 Å²	144.8	69%	0.691	75%	0.753	S	S	*	*			trans	-59	97.3	152.9	179.7	0	0	0	0	103.1	C4227 D4231	C4227-V4229 PolarHBondContact O-N 3.41Å; V4229-D4231 PolarHBondContact O-N 3.47Å
4230	I	31.4	Very low	32.9	Very low	126 Å²	126	147.7 Å²	147.7	65%	0.646	76%	0.76	S	S	*	*			trans	-67.7	87.3	168.9	-61.9	172.5	0	0	0	103.6	Q4228 H4232	Q4228-I4230 HydrophobicContact CB-CG1 4.44Å; Q4228-I4230 PolarHBondContact O-N 3.12Å; I4230-H4232 VanDerWaalsContact C-N 3.32Å; I4230-H4232 PolarHBondContact O-N 3.13Å
4231	D	35.1	Very low	32.3	Very low	127 Å²	127	146.1 Å²	146.1	68%	0.679	76%	0.757	S	S	*	*			trans	-56.8	107.2	159.9	-83.1	-24.2	0	0	0	104.9	V4229 I4233	V4229-D4231 PolarHBondContact O-N 3.47Å; D4231-I4233 PolarHBondContact O-N 3.41Å
4232	H	34.4	Very low	32	Very low	172 Å²	172	146.7 Å²	146.7	80%	0.796	76%	0.76	S	S	*	*			trans	-61	90.8	166.8	-81.5	-39.4	0	0	0	107.2	I4230 Y4234	I4230-H4232 VanDerWaalsContact C-N 3.32Å; I4230-H4232 PolarHBondContact O-N 3.13Å; H4232-Y4234 PolarHBondContact O-N 3.42Å
4233	I	34.9	Very low	31.9	Very low	148 Å²	148	146.5 Å²	146.5	76%	0.759	77%	0.765	S	S	*	*			trans	-58.7	112.1	167.4	-66.6	172.7	0	0	0	106.1	D4231 H4235	D4231-I4233 PolarHBondContact O-N 3.41Å; I4233-H4235 PolarHBondContact O-N 3.49Å; I4233-H4235 VanDerWaalsContact O-N 3.15Å
4234	Y	27.3	Very low	31.7	Very low	220 Å²	220	145.1 Å²	145.1	86%	0.863	76%	0.757	S	S	*	*			trans	-39.5	112.5	161.1	-98.6	-104.8	0	0	0	110.6	H4232	H4232-Y4234 PolarHBondContact O-N 3.42Å
4235	H	33.8	Very low	31.8	Very low	257 Å²	257	148.9 Å²	148.9	100%	1.19	77%	0.769	S	S	*	*			trans	-155.4	0	149.6	-109.4	-50.7	0	0	0	113.1	I4233	I4233-H4235 PolarHBondContact O-N 3.49Å; I4233-H4235 VanDerWaalsContact O-N 3.15Å

Retrieved 4,235 of 4,235 residues in 915.7 ms (Link to these results)

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