GLI1_SCHMA Loading...

Zinc finger protein GLI1

Probable transcription factor which plays an essential role in males to trigger female sexual development by inducing NRPS expression in male¹. NRPS produces the pheromone beta-alanyl-tryptamine (BATT), which stimulates female sexual development².

AlphaFold DB , UniProt , Accession A0A5K4F1D0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene gli1, Length 2,566 aa.

						>GLI1_SCHMA|A0A5K4F1D0|gli1
MTGSDSSMCDLEVKSSLSLTSHLHEYQRNPLFHINTTTLTTTTTINNHINTTSTNNYQQQNDTMYDNNNNNVDNDMKVKSSMNDCINDNTINDTHSTTVIHAENENPRRPIPLTNTSNLEGSTSNVGGNSNFQTMSGNTIPFLPISATNDGRYEWPPSMRYSSANTDRFIQGINTNTDNRQEDFRNQLTSNNNNNYNFKSNNTADNEINQTNHHNLPQFANEKLLDSVRSKNFNNTNISNKVECSSPDANMVAAVAFNAVRRWFTNSSTLTNSDNTMKSVWNENMRTGNSGTNSIGFMNQSNILPYASLNSRLQHPLLPPPLVLNSTVGNATTQNSTHNNYGMFMHRGHHSSGYVPNHTAPMLRGGKKRSHSQSSVNELFDISSLTRSSQGSLNIMQSMRGSHSMGPSAEGSYGHLSAASLGASPGASCDIRRTLSSNGNSSHTAPPAPFSERSPFWSPNSPHSSGSGFDNYQTSSHKSLPLPSTLQTYQQHSGYTSTSGSSGNRSTGCLNRAPFGHLAVLSSSNSLNKQIQQQSDSNSVSNCSIDVPKKLTTNSSNMILPSCRTLGLPTNSVTVSSSEITKNCNNNVLQSAMAFAAVAVAAAAASSTTSSITERENSSLLNKHVLENTLHRECRDHGLHQHPSSECESCSSTLTMGNNNNKLNESINSVYNNLVPSCFMKPPSSATIKSLATTTDNNNSNTNILSNDLSTDNRNKSLNKLPCYNNDADANDTCMDATNNENIQQGVLRKIIPSTPSHFQFSSKTYNQLTQNNSSNKPITAVNNGNDVNNGGNMSSSFTNPLHWPFESIPTPDWSHTWFNNNNNNNTNSTIRFQLNPNETIRRNGRVKIEQIDLNSTVLSKSEMSELLINENSNNNHHHLFGKGNNLLCPTLTKDLLKQHCALNNSDINSITNSLLNQQSSQRKQIDGTLNQMRGIKNFGRTCRITPVLEAITPGITTSISETSAVASSSTTAATPTTTGLFKQKSIEHSHKWQNQNVFSSRRNSTRDPSNNNNSGVGRCSVDEPDVDDDEELDDDGRVPQEGDPDFVETTCRWGDCTLQFDDQDELVKHLSTEHIAGNKKSFVCLWRECVRGTRPFKAQYMLVVHMRRHTGEKPHKCIFEGCIKRYSRLENLKTHLRSHTGEKPYQCEIPGCNKAFSNASDRAKHQNRTHSNEKPYTCKVDGCSKRYTDPSSLRKHVKTVHGAESLMKTSLQKKNSFGVNMLMKVYANKKHKGESWSDRPCGGSGFGGGHLFGNSNNNNSYPSQDKRSNGSMPGIRGRFGPRGMNDNGNIFHRGTYTDREQRPSSSSNPRDSCLACLSNPVHTTTIHPVDINAESIITEYPNQDLSKLKRFSIEESGRNTSHNMNWYLPETDNQNVHSSVLMMASSPAVYNTRNDYFPSFKCEHSIYPNYFSFARNMIHTEDTNQNDNNNNNLVLSWTSPTTPSPCDNLYLDQKINPSITLQPLSTTSNPVQSLSPSIDNPINSTGTKQKNLFSPVNESVTMIRNENCDQSKPVCVYGTSDDLAKDFKKSLKTEENNLIWNWKYSQPSIDGMNKDHCNKKHSILRFDDQDMKKPLPGYLSTSLESRSNTQLALNPNDQTVNQLTRSINNEHFNEMSNMSTTTINETYRENNLQFNFPLKWKVEDPLAYSKNMDNNSQTKNNNELNEENSPQSNQNECISNVPLLNNHYLEDVTEQKSQLCVIECPNRLRSMQDICSSNDIWDSESAAASSGIGSGVTTTTASDNSNPTAQNHHHQKQQPKHSHQHQNRTKSINSDNNYSNQDNVSTMDNDETFFNNENIKSDLGSIDRSSLFGTPRTDSNSTGCSYERTFNPQINYKNDNLIHSSCTCIQKRQKRDNSQSTCSYHRHYHDQLVDGNISSQLDSEQLSATSSQVSSGLGSMTSSNAGSGCNCTGTGLNNTNINVLDNVSGNVSSNICVNTLPRLVEGDNSSNLTNDYPNNSQVFNEDDNNISKMWRKYYKSYGYCSPCNNQPETFYPEVFNSETECYSNTPATVINGLSSTASPVPPSISTYHYHHNPHLHHQHQQRQSQHNLDLVMSNSNHYNDEMHFSPHSYVHSSSSNSSPFNSNRPHSVETFSHNNLTNNSLFDHRRYTHTSLSTTNNNHVNEMNNSINQINPKHPYNICLSSINNNNNQCDTNSNMILKRHSITDDLCHVNGTWFTNEYNGNDNHHYWTHPYNVNQLSIGNQIPNWLNKSVLTSSSPSSSSRLTSTSLTEAIRTHNSSDSLCVTSRFNDSINYYQEYTNCCQPTINSFQINQSSLSSTMSTKTSAKLQSKLSWTTDDNYSEYLCSNHSQNSYIQSNRLVNNNNSSNNDNLIEMDRNNRTNIQRNCSSELNCYTNFQNNTTQLENMDHINTNPLLISLASSQPFLMSSFNTTSISTTSEQTPYSSYHLTPTSNTVHQISQRGIEQMNKMNNLHSNNQLSTIASVTASETTTSTSTVSSYQNLKEREVYNFPVPNPLHTYINPFHSSNSLYSSFLQSVFEEPTFTSSSSSSSPSPSLLLSSSSSTHLGHFNQLFVNADPISNNLVVCNMSTMDTDCAPFHSSN
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.1	Very low	31	Very low	232 Å²	232	128.1 Å²	128.1	100%	1.143	76%	0.762	S	S	*	*				0	98.5	0	-73.1	162.1	162.4	0	0	105.8
2	T	31	Very low	30.8	Very low	129 Å²	129	131.1 Å²	131.1	79%	0.791	76%	0.762	S	S	*	*				88.1	99.9	52.9	60.6	0	0	0	0	113.1
3	G	27.9	Very low	30.9	Very low	59 Å²	59	129 Å²	129	61%	0.608	75%	0.752	S	S	*	*				-73.2	162.2	123.5	0	0	0	0	0	109.2
4	S	35.1	Very low	30.9	Very low	100 Å²	100	133.1 Å²	133.1	70%	0.699	76%	0.756	S	S	*	*			cis	72	134.7	19.4	112.1	0	0	0	0	112.2
5	D	33	Very low	30.9	Very low	135 Å²	135	131.3 Å²	131.3	72%	0.722	76%	0.755	S	S	*	*			cis	-152.7	171.4	8.2	-88	-54	0	0	0	113.8
6	S	33.3	Very low	30.9	Very low	111 Å²	111	129.6 Å²	129.6	78%	0.776	75%	0.754	S	S	*	*			trans	69.3	154.1	145	67.3	0	0	0	0	120.8
7	S	34.2	Very low	30.7	Very low	97 Å²	97	131.7 Å²	131.7	68%	0.678	76%	0.76	S	S	*	*			cis	-173.7	149.3	-26	54.1	0	0	0	0	110.7
8	M	28.5	Very low	30.5	Very low	171 Å²	171	129.7 Å²	129.7	84%	0.842	76%	0.755	S	S	*	*			trans	42.5	151.3	139.2	-61.7	-177.4	70.4	0	0	121.6
9	C	26.5	Very low	30.4	Very low	93 Å²	93	128.2 Å²	128.2	63%	0.628	74%	0.743	S	S	*	*			cis	-170.2	151.8	-16.9	-105.6	0	0	0	0	107.1
10	D	29.7	Very low	30.4	Very low	141 Å²	141	126 Å²	126	75%	0.754	73%	0.732	S	S	*	*				172.1	150.4	122.6	-94.7	-8.7	0	0	0	114.4
11	L	30.5	Very low	30.3	Very low	141 Å²	141	122.7 Å²	122.7	74%	0.738	72%	0.716	S	S	*	*			trans	40.7	130.9	141.9	-57.8	172	0	0	0	120.2
12	E	29.4	Very low	30.3	Very low	164 Å²	164	116.7 Å²	116.7	77%	0.766	69%	0.685	S	S	*	*			cis	-166.8	176.2	-2.2	-147.2	-175.6	-157.8	0	0	111.4
13	V	31.6	Very low	30.1	Very low	104 Å²	104	115.9 Å²	115.9	63%	0.63	68%	0.675	S	S	*	*			trans	65.3	95.5	158.9	-174.8	0	0	0	0	120.1
14	K	31	Very low	30.2	Very low	187 Å²	187	120.1 Å²	120.1	81%	0.813	68%	0.679	S	S	*	*				60	120.2	130	-58.5	178.5	-172	167.9	0	122.9
15	S	30.1	Very low	30	Very low	106 Å²	106	122.3 Å²	122.3	74%	0.741	68%	0.678	S	S	*	*				84.5	129.5	124.3	63.4	0	0	0	0	123.5
16	S	31.5	Very low	29.7	Very low	104 Å²	104	125.4 Å²	125.4	73%	0.727	68%	0.681	S	S	*	*			trans	63.7	90.6	145	53.5	0	0	0	0	121
17	L	28.1	Very low	29.6	Very low	165 Å²	165	128.7 Å²	128.7	86%	0.864	68%	0.684	S	S	*	*				47.8	119.6	119.6	-79	165.2	0	0	0	120.9
18	S	26.7	Very low	29.4	Very low	95 Å²	95	133.6 Å²	133.6	66%	0.664	69%	0.688	S	S	*	*				96.3	147.2	129.8	78.7	0	0	0	0	120.6
19	L	29.1	Very low	29.4	Very low	102 Å²	102	132.8 Å²	132.8	53%	0.534	69%	0.687	S	S	.	*			trans	78.5	143.7	160.4	-55.5	164.5	0	0	0	119.1	D2065	L19-D2065 WeakPolarHBondContact CD2-O 3.22Å
20	T	29.9	Very low	30.1	Very low	83 Å²	83	133.6 Å²	133.6	51%	0.509	69%	0.691	S	S	.	*			trans	82.7	67.4	157.2	65.7	0	0	0	0	124.1	Y2063 N2064	T20-Y2063 WeakPolarHBondContact CG2-O 3.45Å; T20-N2064 HydrophobicContact CG2-CB 4.45Å; T20-N2064 WeakPolarHBondContact CG2-O 3.24Å
21	S	28.8	Very low	30.3	Very low	57 Å²	57	132.5 Å²	132.5	40%	0.399	68%	0.684	S	S	.	*				45.4	157.5	107.9	74.7	0	0	0	0	126.6	Y2063 N2064	S21-Y2063 WeakPolarHBondContact OG-CB 3.39Å; S21-N2064 VanDerWaalsContact CB-CG 3.43Å; S21-N2064 WeakPolarHBondContact CB-ND2 3.27Å; S21-N2064 VanDerWaalsContact OG-CB 3.27Å; S21-N2064 WeakPolarHBondContact OG-CB 3.4Å; S21-N2064 PolarHBondContact OG-OD1 3.32Å
22	H	29.5	Very low	30.5	Very low	106 Å²	106	133.7 Å²	133.7	49%	0.491	68%	0.684	S	S	.	*			trans	84.2	132.4	147.4	-84.8	-78.9	0	0	0	122	Y2063 N2064	H22-Y2063 HydrophobicContact CB-CD1 3.95Å; H22-Y2063 HydrophobicContact CB-CE1 3.42Å; H22-Y2063 VanDerWaalsContact CB-CE1 3.42Å; H22-Y2063 HydrophobicContact CB-CE2 4.14Å; H22-Y2063 AromaticContact CD2-CD1 3.32Å; H22-Y2063 WeakPolarHBondContact CD2-CD1 3.36Å; H22-Y2063 AromaticContact CD2-CE1 3.28Å; H22-Y2063 WeakPolarHBondContact CD2-CE1 3.29Å; H22-Y2063 AromaticContact CG-CD1 3.82Å; H22-Y2063 AromaticContact CG-CE1 3.33Å; H22-Y2063 AromaticContact CG-CZ 3.95Å; H22-N2064 VanDerWaalsContact CD2-CG 3.43Å; H22-N2064 PolarHBondContact CD2-ND2 3.48Å; H22-N2064 PolarHBondContact CD2-OD1 3.26Å; H22-N2064 PolarHBondContact NE2-ND2 2.87Å; H22-N2064 PolarHBondContact NE2-OD1 2.73Å
23	L	27.1	Very low	30.6	Very low	113 Å²	113	133.1 Å²	133.1	59%	0.592	68%	0.681	S	S	*	*			trans	42	121.5	140.4	-61.5	165.8	0	0	0	118.1
24	H	31.7	Very low	30.8	Very low	148 Å²	148	134.7 Å²	134.7	69%	0.685	68%	0.684	S	S	*	*			cis	-139.6	149.4	37.5	-93.1	-99.6	0	0	0	110.3
25	E	30.3	Very low	30.9	Very low	146 Å²	146	132.3 Å²	132.3	68%	0.682	68%	0.68	S	S	*	*				75.6	114.8	61.7	-157.1	-171.8	-133.8	0	0	114.5
26	Y	26.1	Very low	31.1	Very low	199 Å²	199	132.4 Å²	132.4	78%	0.78	68%	0.677	S	S	*	*			trans	33.8	117.9	156	-74.9	-106	0	0	0	122.2
27	Q	32.4	Very low	31.2	Very low	181 Å²	181	133.2 Å²	133.2	85%	0.846	68%	0.678	S	S	*	*				-164.9	120.5	114.5	-102.3	155.2	85.4	0	0	109.8
28	R	30.1	Very low	31.6	Very low	200 Å²	200	131.5 Å²	131.5	76%	0.755	67%	0.674	S	S	*	*				74.2	107.9	85.2	-75.2	-165.9	177.7	-152.8	1.6	115.9
29	N	27.7	Very low	31.9	Very low	153 Å²	153	134.2 Å²	134.2	82%	0.818	68%	0.68	S	S	*	*			trans	-24.2	170.3	139.3	-70.6	-2.7	0	0	0	116.9
30	P	42	Very low	32.1	Very low	110 Å²	110	135.6 Å²	135.6	71%	0.714	69%	0.693	S	S	*	*			cis	-127	-155.6	-0.4	14.9	14.8	0	0	0	111.5
31	L	32.3	Very low	32.2	Very low	119 Å²	119	138 Å²	138	62%	0.623	71%	0.708	S	S	*	*			cis	177.9	160	49.1	-113.3	175.5	0	0	0	112.3
32	F	36.2	Very low	32.6	Very low	166 Å²	166	141.6 Å²	141.6	73%	0.728	73%	0.727	S	S	*	*			trans	60.3	151.2	158	-66	-59.4	0	0	0	120.9
33	H	30.8	Very low	32.9	Very low	151 Å²	151	141.9 Å²	141.9	70%	0.699	74%	0.737	S	S	*	*			cis	-179.1	165.1	-36.3	-126.7	-108.7	0	0	0	110.7
34	I	36.2	Very low	33.1	Very low	137 Å²	137	141.8 Å²	141.8	70%	0.703	74%	0.741	S	S	*	*			trans	71.9	121.5	156.8	-69.4	155.3	0	0	0	116.6
35	N	31.4	Very low	33.2	Very low	137 Å²	137	141.4 Å²	141.4	73%	0.733	74%	0.743	S	S	*	*				77.6	143.6	57.6	-76.3	-1.7	0	0	0	114
36	T	35.5	Very low	33.3	Very low	109 Å²	109	140.5 Å²	140.5	67%	0.669	74%	0.743	S	S	*	*			cis	-168.4	150.4	5.9	15.1	0	0	0	0	113.9
37	T	33.5	Very low	33.7	Very low	121 Å²	121	136.2 Å²	136.2	74%	0.742	73%	0.733	S	S	*	*			trans	45.4	136.8	143.6	60.4	0	0	0	0	125.9
38	T	36.1	Very low	33.5	Very low	129 Å²	129	135.6 Å²	135.6	79%	0.791	73%	0.73	S	S	*	*				-147	136.1	126.3	34.7	0	0	0	0	108
39	L	33.9	Very low	33.5	Very low	152 Å²	152	131.6 Å²	131.6	80%	0.796	72%	0.722	S	S	*	*				73.3	140.4	62.5	-61.5	175.9	0	0	0	113.4
40	T	32.2	Very low	33.5	Very low	130 Å²	130	130.7 Å²	130.7	80%	0.798	72%	0.718	S	S	*	*			cis	-140	-174.7	14.7	-37.7	0	0	0	0	111.3
41	T	32.5	Very low	33	Very low	133 Å²	133	129.2 Å²	129.2	82%	0.816	71%	0.707	S	S	*	*			trans	-136	149.8	-166.5	56.1	0	0	0	0	115.6
42	T	36.1	Very low	33	Very low	133 Å²	133	128.9 Å²	128.9	82%	0.816	71%	0.71	S	S	*	*			trans	-124	144.4	171.6	44.5	0	0	0	0	111.1
43	T	36	Very low	32.7	Very low	113 Å²	113	126.1 Å²	126.1	69%	0.693	71%	0.711	S	S	*	*			cis	-156.7	110.6	-16.6	9.1	0	0	0	0	110.7
44	T	32.4	Very low	32.8	Very low	110 Å²	110	123.6 Å²	123.6	68%	0.675	71%	0.706	S	S	*	*				51.5	127.8	121.8	65.2	0	0	0	0	123.5
45	I	33.2	Very low	32.5	Very low	140 Å²	140	123.9 Å²	123.9	72%	0.718	71%	0.709	S	S	*	*				100.9	141.5	114.6	-81.7	175.8	0	0	0	122.7
46	N	33.6	Very low	32.5	Very low	128 Å²	128	123.7 Å²	123.7	68%	0.684	71%	0.708	S	S	*	*			trans	69.6	151	162.8	-70.9	-10.4	0	0	0	119.7
47	N	34.2	Very low	32.3	Very low	109 Å²	109	127.4 Å²	127.4	58%	0.583	71%	0.711	S	S	*	*			cis	-150.1	150	-16.5	-105.6	-22	0	0	0	108.3
48	H	27.5	Very low	32.2	Very low	168 Å²	168	128.2 Å²	128.2	78%	0.778	71%	0.706	S	S	*	*			cis	81.3	141	39.7	-125.5	-50.1	0	0	0	115.3
49	I	29.3	Very low	31.8	Very low	115 Å²	115	129.4 Å²	129.4	59%	0.59	70%	0.703	S	S	*	*			trans	90.5	119.3	163.8	-55.6	152	0	0	0	117.1	T51	I49-T51 HydrophobicContact CG2-CG2 4.4Å
50	N	29	Very low	31.7	Very low	135 Å²	135	130 Å²	130	72%	0.722	70%	0.702	S	S	*	*			trans	-144.1	102.2	131.6	-147.4	-9.1	0	0	0	110.5	H2437	N50-H2437 PolarHBondContact O-CE1 3.04Å; N50-H2437 PolarHBondContact O-ND1 3.17Å; N50-H2437 VanDerWaalsContact O-ND1 3.17Å
51	T	31.2	Very low	31.6	Very low	79 Å²	79	129.5 Å²	129.5	49%	0.485	69%	0.694	S	S	.	*			trans	-128.9	132.9	-169.8	52.2	0	0	0	0	110.8	I49	I49-T51 HydrophobicContact CG2-CG2 4.4Å
52	T	31.5	Very low	31.3	Very low	112 Å²	112	130 Å²	130	69%	0.687	69%	0.692	S	S	*	*			trans	-165.3	110.1	161.9	1.4	0	0	0	0	112.6	L2436	T52-L2436 VanDerWaalsContact O-CD1 3.25Å; T52-L2436 WeakPolarHBondContact O-CD1 3.29Å; T52-L2436 VanDerWaalsContact O-CD2 3.27Å; T52-L2436 WeakPolarHBondContact O-CD2 3.05Å
53	S	29.7	Very low	31.4	Very low	107 Å²	107	129.7 Å²	129.7	75%	0.748	69%	0.69	S	S	*	*			trans	-66.8	144.1	180	53.2	0	0	0	0	115
54	T	33.6	Very low	31.2	Very low	99 Å²	99	131.7 Å²	131.7	61%	0.607	69%	0.693	S	S	*	*			trans	-147	122.4	153.8	52.1	0	0	0	0	113
55	N	30.1	Very low	31.4	Very low	143 Å²	143	135.8 Å²	135.8	77%	0.765	70%	0.698	S	S	*	*			trans	46.2	146.2	135.1	-64.5	-7	0	0	0	123.6
56	N	32.2	Very low	31.3	Very low	132 Å²	132	134.9 Å²	134.9	71%	0.706	69%	0.694	S	S	*	*			trans	86.4	121	139.9	-75.9	-4.4	0	0	0	121
57	Y	30.9	Very low	31.2	Very low	188 Å²	188	134.2 Å²	134.2	74%	0.737	69%	0.691	S	S	*	*				65	131	129.8	-85.2	-118.1	0	0	0	120.3
58	Q	32	Very low	31.2	Very low	137 Å²	137	135 Å²	135	64%	0.64	70%	0.695	S	S	*	*			trans	70.8	122.1	146.5	-67.7	-178.3	-65.3	0	0	115.6
59	Q	26.1	Very low	31.5	Very low	155 Å²	155	132.8 Å²	132.8	72%	0.724	69%	0.689	S	S	*	*				52	100.6	70.6	-58.8	174.3	-26.9	0	0	111.1
60	Q	31.6	Very low	31.7	Very low	164 Å²	164	133 Å²	133	77%	0.766	69%	0.691	S	S	*	*				-161.4	124.2	93.6	-100.5	164.5	15.1	0	0	111.9
61	N	30.8	Very low	31.8	Very low	120 Å²	120	133.3 Å²	133.3	64%	0.642	69%	0.693	S	S	*	*				46.8	111.3	128.5	-52.8	21.2	0	0	0	119
62	D	26.3	Very low	31.9	Very low	142 Å²	142	135 Å²	135	76%	0.759	70%	0.703	S	S	*	*				41.7	115	105.2	-41.2	-39.7	0	0	0	118.6
63	T	37.4	Very low	31.8	Very low	128 Å²	128	135.8 Å²	135.8	79%	0.785	70%	0.703	S	S	*	*			trans	-166.9	114.7	133	17.4	0	0	0	0	107.2
64	M	33.4	Very low	31.8	Very low	154 Å²	154	137 Å²	137	76%	0.759	70%	0.701	S	S	*	*	S	Bend	cis	-149.9	158	1.1	-70.3	-173.7	170.7	0	0	113.1
65	Y	34.9	Very low	31.7	Very low	197 Å²	197	139.1 Å²	139.1	77%	0.773	71%	0.709	S	S	*	*			trans	73.7	87.8	156.7	-75.1	-68	0	0	0	122.2
66	D	32.1	Very low	31.7	Very low	120 Å²	120	138.7 Å²	138.7	64%	0.642	70%	0.704	S	S	*	*				83.9	109.2	114.4	-74.7	24.5	0	0	0	126.1
67	N	32.5	Very low	31.7	Very low	114 Å²	114	140.7 Å²	140.7	61%	0.61	71%	0.706	S	S	*	*				87.8	110.2	118.6	-71.3	-37.3	0	0	0	125
68	N	33.3	Very low	31.8	Very low	126 Å²	126	137.6 Å²	137.6	67%	0.674	71%	0.706	S	S	*	*				65.9	150.6	118.9	-61.5	-20.7	0	0	0	122.5
69	N	33.7	Very low	31.8	Very low	121 Å²	121	140 Å²	140	65%	0.647	72%	0.715	S	S	*	*			cis	-171	156	-20.8	-112.9	-22.6	0	0	0	113.4
70	N	32.8	Very low	31.9	Very low	120 Å²	120	137.6 Å²	137.6	64%	0.642	72%	0.715	S	S	*	*			trans	64.2	125.1	141.7	-65.1	-21.7	0	0	0	125.8
71	N	31	Very low	31.9	Very low	142 Å²	142	134.5 Å²	134.5	76%	0.759	71%	0.712	S	S	*	*				64.5	164.3	122.4	-67.6	-1.3	0	0	0	123.3
72	V	33.4	Very low	31.8	Very low	115 Å²	115	136.5 Å²	136.5	70%	0.697	72%	0.719	S	S	*	*			cis	-172.1	154	-39	120.3	0	0	0	0	110.1
73	D	30.8	Very low	31.9	Very low	127 Å²	127	135.8 Å²	135.8	68%	0.679	72%	0.715	S	S	*	*			trans	61.2	128.8	158.2	-78	11.9	0	0	0	126.9
74	N	29.9	Very low	31.4	Very low	134 Å²	134	135.3 Å²	135.3	72%	0.717	71%	0.708	S	S	*	*				68.2	125.2	125.4	-61.8	-33.6	0	0	0	126.9
75	D	30.3	Very low	31.1	Very low	142 Å²	142	133.4 Å²	133.4	76%	0.759	71%	0.708	S	S	*	*				93.6	161.5	129.1	-105.5	-25.1	0	0	0	127
76	M	30.8	Very low	30.8	Very low	135 Å²	135	131.1 Å²	131.1	67%	0.665	71%	0.708	S	S	*	*			trans	-51.9	148.1	-154.3	-47.2	-161.2	-168.4	0	0	124.6
77	K	31.5	Very low	30.8	Very low	173 Å²	173	131.6 Å²	131.6	75%	0.752	71%	0.711	S	S	*	*			trans	70.4	112	132	-78	170.3	-178.1	165.3	0	122.9
78	V	32.7	Very low	30.8	Very low	123 Å²	123	132.1 Å²	132.1	75%	0.745	71%	0.713	S	S	*	*				77.9	113.3	125.3	-179	0	0	0	0	120.2
79	K	31.8	Very low	30.7	Very low	189 Å²	189	132.6 Å²	132.6	82%	0.822	72%	0.716	S	S	*	*			trans	80.8	111.7	152.2	-82.3	178.8	177.9	-175.7	0	121.4
80	S	30	Very low	30.7	Very low	103 Å²	103	132 Å²	132	72%	0.72	72%	0.717	S	S	*	*			trans	69.1	99.6	133.9	60.1	0	0	0	0	121.1
81	S	30.6	Very low	30.8	Very low	100 Å²	100	133.1 Å²	133.1	70%	0.699	72%	0.721	S	S	*	*				77.7	115.3	119.8	65.7	0	0	0	0	121.9
82	M	28.8	Very low	30.8	Very low	161 Å²	161	132 Å²	132	79%	0.793	72%	0.716	S	S	*	*			trans	82.1	107.5	133	-72.5	158.1	169.3	0	0	118.5
83	N	27.9	Very low	30.6	Very low	127 Å²	127	132.1 Å²	132.1	68%	0.679	71%	0.712	S	S	*	*				89.1	144.4	84.5	-76.6	40	0	0	0	110.4
84	D	26.8	Very low	30.5	Very low	118 Å²	118	131.8 Å²	131.8	63%	0.631	72%	0.715	S	S	*	*			cis	-164.6	150.5	-8.3	-104.1	-23.5	0	0	0	111
85	C	26.6	Very low	30.5	Very low	114 Å²	114	132.9 Å²	132.9	77%	0.77	72%	0.715	S	S	*	*			trans	57.2	-171.1	149	-63.5	0	0	0	0	116.7
86	I	30.2	Very low	30.2	Very low	150 Å²	150	130.8 Å²	130.8	77%	0.769	71%	0.711	S	S	*	*			cis	-146.9	175.5	7.4	-23.2	167.9	0	0	0	110.3
87	N	31.6	Very low	30.2	Very low	130 Å²	130	129.8 Å²	129.8	70%	0.695	71%	0.713	S	S	*	*			trans	95.8	127	163.2	-70.9	38.4	0	0	0	116.8
88	D	32.9	Very low	29.9	Very low	124 Å²	124	127.3 Å²	127.3	66%	0.663	71%	0.713	S	S	*	*	S	Bend	cis	-137.1	142.1	-5.4	-75.5	-51.1	0	0	0	108.2
89	N	31.6	Very low	29.7	Very low	136 Å²	136	127.2 Å²	127.2	73%	0.727	71%	0.712	S	S	*	*	S	Bend	cis	-150.7	150.2	38.4	-114.4	-45.6	0	0	0	114.6
90	T	33.7	Very low	29.4	Very low	108 Å²	108	124.8 Å²	124.8	66%	0.663	71%	0.707	S	S	*	*			trans	62.8	84.4	150.5	59.9	0	0	0	0	121.9
91	I	33.1	Very low	29.2	Very low	145 Å²	145	128.6 Å²	128.6	74%	0.744	71%	0.713	S	S	*	*				85.5	103.5	100.6	-75	167.3	0	0	0	120.4
92	N	31.6	Very low	29.2	Very low	119 Å²	119	128.2 Å²	128.2	64%	0.636	72%	0.715	S	S	*	*				94.1	103.3	121.9	-70.3	40.1	0	0	0	124
93	D	30.5	Very low	29.3	Very low	117 Å²	117	128.4 Å²	128.4	63%	0.626	71%	0.714	S	S	*	*				75.3	108.7	103.1	-59.3	-12.9	0	0	0	124
94	T	27.9	Very low	29.5	Very low	119 Å²	119	126.7 Å²	126.7	73%	0.73	71%	0.705	S	S	*	*				78.2	164.1	124.2	68.4	0	0	0	0	122.2
95	H	29.8	Very low	29.9	Very low	158 Å²	158	126.6 Å²	126.6	73%	0.731	70%	0.701	S	S	*	*			trans	72.7	87.6	156.4	-77.7	-68.4	0	0	0	121.5
96	S	23.7	Very low	30.1	Very low	97 Å²	97	123.6 Å²	123.6	68%	0.678	68%	0.677	S	S	*	*				65.2	-179.7	124.5	62.4	0	0	0	0	120.8
97	T	30.2	Very low	30.5	Very low	115 Å²	115	122.9 Å²	122.9	71%	0.706	68%	0.683	S	S	*	*			trans	62.5	104.3	162.5	39.4	0	0	0	0	120
98	T	27	Very low	30.5	Very low	120 Å²	120	126.5 Å²	126.5	74%	0.736	69%	0.686	S	S	*	*				26	137.1	119.3	52.9	0	0	0	0	121.3
99	V	27.1	Very low	30.4	Very low	122 Å²	122	128 Å²	128	74%	0.739	68%	0.683	S	S	*	*			trans	69.6	93	142.3	174.6	0	0	0	0	114.9
100	I	26.6	Very low	30.5	Very low	138 Å²	138	126.9 Å²	126.9	71%	0.708	68%	0.683	S	S	*	*				90.1	132.2	85.7	-78.1	164.5	0	0	0	114.4
101	H	25.2	Very low	30.4	Very low	183 Å²	183	129.8 Å²	129.8	85%	0.847	69%	0.693	S	S	*	*			trans	75.8	157.1	164.6	-80.5	-46.9	0	0	0	121
102	A	29.9	Very low	30.7	Very low	91 Å²	91	126.5 Å²	126.5	75%	0.752	68%	0.681	S	S	*	*			trans	67.8	150.8	173.7	0	0	0	0	0	117.5
103	E	31.5	Very low	30.5	Very low	165 Å²	165	128.7 Å²	128.7	77%	0.771	69%	0.692	S	S	*	*			cis	-172.4	166.5	-21.3	-92.4	-161.1	153.1	0	0	104.8
104	N	31.7	Very low	30.6	Very low	92 Å²	92	129.3 Å²	129.3	49%	0.492	70%	0.7	S	S	.	*			cis	-167.5	157.2	-25.9	-90.6	-15	0	0	0	104.2	R109	N104-R109 PolarHBondContact OD1-NH2 3.28Å
105	E	34.7	Very low	30.7	Very low	115 Å²	115	129.1 Å²	129.1	54%	0.537	69%	0.694	S	S	.	*			cis	-124.7	152.7	6.3	-98.2	-60.3	63.8	0	0	108.9	R109	E105-R109 IonicContact OE1-CZ 3.72Å; E105-R109 IonicContact OE1-NH2 2.72Å; E105-R109 PolarHBondContact OE1-NH2 2.85Å
106	N	31.5	Very low	30.6	Very low	51 Å²	51	126.8 Å²	126.8	27%	0.273	69%	0.692	S	S	.	*				53.5	139	87.8	-76.2	-21.2	0	0	0	116.2	R108 R109	N106-R108 HydrophobicContact CB-CG 3.94Å; N106-R108 WeakPolarHBondContact ND2-CG 3.4Å; N106-R108 WeakPolarHBondContact OD1-CA 3.36Å; N106-R108 WeakPolarHBondContact OD1-CG 3.17Å; N106-R108 PolarHBondContact OD1-N 2.81Å; N106-R109 VanDerWaalsContact CG-NE 3.31Å; N106-R109 PolarHBondContact ND2-NE 3.08Å; N106-R109 VanDerWaalsContact OD1-CD 3.27Å; N106-R109 WeakPolarHBondContact OD1-CD 3.15Å; N106-R109 WeakPolarHBondContact OD1-CG 3.48Å; N106-R109 PolarHBondContact OD1-NE 3.22Å
107	P	38.9	Very low	30.9	Very low	136 Å²	136	127.3 Å²	127.3	88%	0.883	70%	0.695	S	S	*	*	S	Bend	cis	-102.3	89.8	49.8	35.5	-37	0	0	0	118
108	R	31.9	Very low	31	Very low	205 Å²	205	128 Å²	128	77%	0.774	69%	0.694	S	S	*	*			trans	50.3	123.4	138.7	-63.1	-177.9	-178.6	-160	-0.4	121	N106	N106-R108 HydrophobicContact CB-CG 3.94Å; N106-R108 WeakPolarHBondContact ND2-CG 3.4Å; N106-R108 WeakPolarHBondContact OD1-CA 3.36Å; N106-R108 WeakPolarHBondContact OD1-CG 3.17Å; N106-R108 PolarHBondContact OD1-N 2.81Å
109	R	31	Very low	31.3	Very low	156 Å²	156	129 Å²	129	59%	0.589	69%	0.694	S	S	*	*			cis	-160.5	145.1	-39.2	-127.8	174.2	-146	-140.4	12.5	105.8	N104 E105 N106	N104-R109 PolarHBondContact OD1-NH2 3.28Å; E105-R109 IonicContact OE1-CZ 3.72Å; E105-R109 IonicContact OE1-NH2 2.72Å; E105-R109 PolarHBondContact OE1-NH2 2.85Å; N106-R109 VanDerWaalsContact CG-NE 3.31Å; N106-R109 PolarHBondContact ND2-NE 3.08Å; N106-R109 VanDerWaalsContact OD1-CD 3.27Å; N106-R109 WeakPolarHBondContact OD1-CD 3.15Å; N106-R109 WeakPolarHBondContact OD1-CG 3.48Å; N106-R109 PolarHBondContact OD1-NE 3.22Å
110	P	33.4	Very low	31.7	Very low	112 Å²	112	131.7 Å²	131.7	73%	0.727	70%	0.699	S	S	*	*			trans	-94.8	161.7	-163	36.6	-35	0	0	0	114.1
111	I	31.6	Very low	32.2	Very low	170 Å²	170	127.8 Å²	127.8	87%	0.872	69%	0.693	S	S	*	*			trans	-125.6	124.9	153.4	-63.6	-178.3	0	0	0	106.8
112	P	38.1	Very low	32.3	Very low	75 Å²	75	124.5 Å²	124.5	49%	0.487	69%	0.691	S	S	.	*			trans	-100.2	136.5	-164.4	36.2	-33.7	0	0	0	114.4	T114	P112-T114 HydrophobicContact CB-CG2 3.98Å; P112-T114 HydrophobicContact CG-CG2 3.95Å
113	L	28.9	Very low	32.2	Very low	165 Å²	165	126.1 Å²	126.1	86%	0.864	69%	0.691	S	S	*	*	S	Bend		-68	130.2	127	-70	168.1	0	0	0	105.9	N115	L113-N115 VanDerWaalsContact O-CA 3.25Å; L113-N115 WeakPolarHBondContact O-CA 3.47Å; L113-N115 PolarHBondContact O-OD1 3.41Å; L113-N115 VanDerWaalsContact O-OD1 3.06Å
114	T	32.2	Very low	32.4	Very low	131 Å²	131	123.2 Å²	123.2	80%	0.804	69%	0.689	S	S	*	*	S	Bend	trans	-93.7	111.5	-179.4	50.9	0	0	0	0	111.8	P112	P112-T114 HydrophobicContact CB-CG2 3.98Å; P112-T114 HydrophobicContact CG-CG2 3.95Å
115	N	29.1	Very low	32.6	Very low	114 Å²	114	125.7 Å²	125.7	61%	0.61	70%	0.702	S	S	*	*			cis	-157.5	153.9	-18.4	-137.7	-17.8	0	0	0	110	L113	L113-N115 VanDerWaalsContact O-CA 3.25Å; L113-N115 WeakPolarHBondContact O-CA 3.47Å; L113-N115 PolarHBondContact O-OD1 3.41Å; L113-N115 VanDerWaalsContact O-OD1 3.06Å
116	T	27.9	Very low	32.5	Very low	110 Å²	110	127 Å²	127	68%	0.675	72%	0.718	S	S	*	*			trans	32.5	109	159.2	53.4	0	0	0	0	117.2
117	S	30.7	Very low	32.7	Very low	107 Å²	107	127.8 Å²	127.8	75%	0.748	74%	0.737	S	S	*	*				178.2	157	80.5	38.4	0	0	0	0	109.9
118	N	32.9	Very low	32.5	Very low	130 Å²	130	124.1 Å²	124.1	70%	0.695	72%	0.724	S	S	*	*			cis	-161.3	155.8	-4.2	-116.6	2.2	0	0	0	112
119	L	33	Very low	32.9	Very low	140 Å²	140	117 Å²	117	73%	0.733	70%	0.702	S	S	*	*			trans	67.5	142.6	158.1	-55.3	160.7	0	0	0	116.7
120	E	35.7	Very low	33	Very low	180 Å²	180	111.6 Å²	111.6	84%	0.841	69%	0.688	S	S	*	*			cis	-146.5	-175	-0	-139.4	161.1	-157	0	0	113.7
121	G	36.3	Very low	32.5	Very low	56 Å²	56	107 Å²	107	58%	0.577	66%	0.657	S	S	*	*			trans	-59.4	156.1	-161.5	0	0	0	0	0	118.1
122	S	27.6	Very low	32.3	Very low	114 Å²	114	102.6 Å²	102.6	80%	0.797	63%	0.632	S	S	*	*			cis	68.2	133.7	46.5	85.2	0	0	0	0	113.1
123	T	28.6	Very low	32.2	Very low	125 Å²	125	106.4 Å²	106.4	77%	0.767	64%	0.643	S	S	*	*			cis	-156.1	162.2	-1.9	3.2	0	0	0	0	108.4
124	S	35.9	Very low	32.1	Very low	103 Å²	103	99.3 Å²	99.3	72%	0.72	61%	0.607	S	S	*	*				177.2	143.5	74	41.3	0	0	0	0	114.8
125	N	34.6	Very low	32.1	Very low	145 Å²	145	100.3 Å²	100.3	78%	0.775	60%	0.604	S	S	*	*			trans	51.4	95.7	143	-58.5	-4.8	0	0	0	122.6
126	V	32.9	Very low	32.1	Very low	143 Å²	143	100.4 Å²	100.4	87%	0.867	61%	0.614	S	S	*	*				29.8	131.6	124.2	-170.3	0	0	0	0	119.1
127	G	35.9	Very low	32.3	Very low	66 Å²	66	97.5 Å²	97.5	68%	0.68	61%	0.606	S	S	*	*			cis	116.2	-142.7	6.6	0	0	0	0	0	113.4
128	G	33.9	Very low	32.1	Very low	59 Å²	59	99.6 Å²	99.6	61%	0.608	61%	0.609	S	S	*	*			trans	107.9	158.7	176.7	0	0	0	0	0	113.4
129	N	40.4	Very low	32.2	Very low	56 Å²	56	97.6 Å²	97.6	30%	0.299	60%	0.601	S	S	.	*			cis	-152.8	149.1	6.4	-66.1	-82.8	0	0	0	106.7	R185 N186	N129-R185 VanDerWaalsContact CG-CA 3.48Å; N129-N186 VanDerWaalsContact CG-N 3.26Å; N129-N186 PolarHBondContact ND2-N 2.69Å; N129-N186 PolarHBondContact OD1-N 2.74Å; N129-N186 PolarHBondContact OD1-O 2.76Å
130	S	33.8	Very low	32.2	Very low	42 Å²	42	95.1 Å²	95.1	29%	0.294	59%	0.588	S	S	.	*				34	142	82.7	43.3	0	0	0	0	114.2	Q133 E182 D183 F184	S130-Q133 VanDerWaalsContact CB-O 3.28Å; S130-Q133 WeakPolarHBondContact CB-O 3.1Å; S130-Q133 PolarHBondContact OG-O 3.44Å; S130-E182 WeakPolarHBondContact CA-OE1 3.48Å; S130-E182 PolarHBondContact N-OE1 2.96Å; S130-D183 CarbonylContact O-C 2.88Å; S130-F184 CarbonylContact C-O 3.27Å; S130-F184 CarbonylContact O-C 3.52Å; S130-F184 WeakPolarHBondContact O-CA 2.12Å; S130-F184 PolarHBondContact O-N 3Å
131	N	23.6	Very low	32	Very low	17 Å²	17	89.9 Å²	89.9	9%	0.091	57%	0.569	C	S	.	*	S	Bend	cis	52.8	74.2	10.9	-119.9	-17.8	0	0	0	117.5	Q181 E182 D183 F184 R2165	N131-Q181 VanDerWaalsContact ND2-C 3.34Å; N131-Q181 PolarHBondContact ND2-O 3.47Å; N131-E182 HydrophobicContact CB-CB 4.22Å; N131-E182 HydrophobicContact CB-CG 4.21Å; N131-E182 WeakPolarHBondContact ND2-CA 2.11Å; N131-D183 WeakPolarHBondContact CA-O 2.13Å; N131-D183 VanDerWaalsContact N-N 3.17Å; N131-D183 PolarHBondContact N-O 2.59Å; N131-F184 CarbonylContact C-O 2.88Å; N131-F184 PolarHBondContact N-O 2.9Å; N131-R2165 PolarHBondContact O-NH1 2.78Å; N131-R2165 PolarHBondContact O-NH2 3.36Å
132	F	26.1	Very low	31.7	Very low	76 Å²	76	95.2 Å²	95.2	33%	0.333	58%	0.577	S	S	.	*	S	Bend	trans	44	86.7	142.8	-76.7	-94.4	0	0	0	114.7	T134 M135 D183 F184 R2165	F132-T134 CarbonylContact C-O 3.59Å; F132-T134 VanDerWaalsContact C-O 3.22Å; F132-T134 VanDerWaalsContact CA-N 3.34Å; F132-T134 WeakPolarHBondContact CA-O 3.45Å; F132-T134 WeakPolarHBondContact CA-OG1 2.12Å; F132-T134 VanDerWaalsContact CB-O 3.3Å; F132-T134 WeakPolarHBondContact CB-O 3.49Å; F132-T134 WeakPolarHBondContact CD1-O 3.16Å; F132-T134 WeakPolarHBondContact CD1-OG1 3.42Å; F132-T134 WeakPolarHBondContact CD2-OG1 3.18Å; F132-T134 WeakPolarHBondContact CE1-OG1 3.07Å; F132-T134 VanDerWaalsContact CE2-OG1 3.26Å; F132-T134 WeakPolarHBondContact CE2-OG1 3.3Å; F132-T134 WeakPolarHBondContact CG-OG1 3.33Å; F132-T134 WeakPolarHBondContact CZ-OG1 3.49Å; F132-T134 PolarHBondContact N-OG1 3.09Å; F132-M135 WeakPolarHBondContact CD1-O 3.48Å; F132-M135 HydrophobicContact CE1-CB 4.37Å; F132-D183 HydrophobicContact CD2-CB 4.33Å; F132-D183 WeakPolarHBondContact CD2-O 2.98Å; F132-D183 HydrophobicContact CE2-CB 4.17Å; F132-D183 VanDerWaalsContact CE2-O 3.26Å; F132-D183 WeakPolarHBondContact CE2-O 3.35Å; F132-F184 PolarHBondContact N-O 2.74Å; F132-R2165 VanDerWaalsContact O-CZ 3.28Å; F132-R2165 PolarHBondContact O-NH1 3.09Å; F132-R2165 PolarHBondContact O-NH2 2.99Å
133	Q	37.2	Very low	31.8	Very low	156 Å²	156	91.6 Å²	91.6	73%	0.729	55%	0.548	S	S	*	.			cis	-42.8	110.5	10.8	-79	-168.5	-13.1	0	0	114.5	S130	S130-Q133 VanDerWaalsContact CB-O 3.28Å; S130-Q133 WeakPolarHBondContact CB-O 3.1Å; S130-Q133 PolarHBondContact OG-O 3.44Å
134	T	26.1	Very low	31.9	Very low	16 Å²	16	87.1 Å²	87.1	10%	0.098	52%	0.522	C	S	.	.	S	Bend	cis	-17.9	133.2	-0.8	33.9	0	0	0	0	122.7	F132 F184	F132-T134 CarbonylContact C-O 3.59Å; F132-T134 VanDerWaalsContact C-O 3.22Å; F132-T134 VanDerWaalsContact CA-N 3.34Å; F132-T134 WeakPolarHBondContact CA-O 3.45Å; F132-T134 WeakPolarHBondContact CA-OG1 2.12Å; F132-T134 VanDerWaalsContact CB-O 3.3Å; F132-T134 WeakPolarHBondContact CB-O 3.49Å; F132-T134 WeakPolarHBondContact CD1-O 3.16Å; F132-T134 WeakPolarHBondContact CD1-OG1 3.42Å; F132-T134 WeakPolarHBondContact CD2-OG1 3.18Å; F132-T134 WeakPolarHBondContact CE1-OG1 3.07Å; F132-T134 VanDerWaalsContact CE2-OG1 3.26Å; F132-T134 WeakPolarHBondContact CE2-OG1 3.3Å; F132-T134 WeakPolarHBondContact CG-OG1 3.33Å; F132-T134 WeakPolarHBondContact CZ-OG1 3.49Å; F132-T134 PolarHBondContact N-OG1 3.09Å; T134-F184 HydrophobicContact CG2-CB 3.72Å; T134-F184 PolarHBondContact N-O 2.7Å; T134-F184 PolarHBondContact OG1-O 3.16Å; T134-F184 VanDerWaalsContact OG1-O 3.09Å
135	M	32.8	Very low	31.5	Very low	151 Å²	151	86.2 Å²	86.2	74%	0.744	51%	0.508	S	S	*	.	S	Bend		49.8	116.3	125.9	-55.7	164.7	-171.9	0	0	119	F132	F132-M135 WeakPolarHBondContact CD1-O 3.48Å; F132-M135 HydrophobicContact CE1-CB 4.37Å
136	S	29.1	Very low	31.1	Very low	116 Å²	116	84.9 Å²	84.9	81%	0.811	51%	0.51	S	S	*	.	S	Bend	cis	-129.7	127.3	14.1	55.9	0	0	0	0	113.1
137	G	30.5	Very low	31	Very low	50 Å²	50	80.9 Å²	80.9	52%	0.515	49%	0.492	S	S	.	.	S	Bend	trans	140.5	82.1	-179.5	0	0	0	0	0	110
138	N	27.7	Very low	30.6	Very low	150 Å²	150	82.4 Å²	82.4	80%	0.802	49%	0.488	S	S	*	.	S	Bend	cis	-129.4	-168.6	8.5	-79.9	-36	0	0	0	112
139	T	34.5	Very low	30.1	Very low	89 Å²	89	85.6 Å²	85.6	55%	0.546	49%	0.491	S	S	.	.			trans	38.9	107.5	156.4	34.3	0	0	0	0	118.3
140	I	33.3	Very low	29.3	Very low	87 Å²	87	89.5 Å²	89.5	45%	0.446	51%	0.512	S	S	.	.				58.4	124.3	75.2	-60.9	172.4	0	0	0	111	C1705 P1706	I140-C1705 HydrophobicContact CG2-CB 4.27Å; I140-P1706 HydrophobicContact CG2-CB 3.94Å
141	P	30.6	Very low	28.8	Very low	70 Å²	70	90.1 Å²	90.1	46%	0.455	53%	0.525	S	S	.	.	S	Bend	cis	-114.9	159.7	23.4	43.4	-35.2	0	0	0	114.4
142	F	31.2	Very low	28.8	Very low	169 Å²	169	99.9 Å²	99.9	74%	0.741	56%	0.561	S	S	*	*	S	Bend	cis	-138.2	116.4	29.6	-75.3	-72.3	0	0	0	116.1
143	L	29.3	Very low	28.7	Very low	37 Å²	37	105.9 Å²	105.9	19%	0.194	58%	0.583	C	S	.	*				62.4	163.3	120.2	-39.9	-171.4	0	0	0	123.6	N1707 R1708 H2240	L143-N1707 HydrophobicContact CD2-CB 4.37Å; L143-N1707 WeakPolarHBondContact CD2-OD1 2.92Å; L143-R1708 HydrophobicContact CB-CG 3.81Å; L143-R1708 HydrophobicContact CD1-CG 3.73Å; L143-R1708 HydrophobicContact CD2-CG 4.07Å; L143-R1708 HydrophobicContact CG-CG 4.04Å; L143-R1708 PolarHBondContact O-NH2 3.47Å; L143-H2240 HydrophobicContact CD1-CB 4.04Å; L143-H2240 WeakPolarHBondContact CD1-O 3.43Å
144	P	31	Very low	28.1	Very low	32 Å²	32	101.8 Å²	101.8	21%	0.208	56%	0.563	C	S	.	*				-55.7	172.9	-74.3	1.3	-0.5	0	0	0	106.1	R1708 S2242	P144-R1708 HydrophobicContact CB-CG 4.23Å; P144-R1708 VanDerWaalsContact CD-CD 3.47Å; P144-R1708 VanDerWaalsContact CD-NH1 3.32Å; P144-R1708 HydrophobicContact CG-CG 3.81Å; P144-R1708 VanDerWaalsContact O-CZ 3.24Å; P144-R1708 PolarHBondContact O-NH2 3.46Å; P144-S2242 WeakPolarHBondContact CG-O 3.38Å
145	I	26.8	Very low	28	Very low	83 Å²	83	106.7 Å²	106.7	43%	0.426	58%	0.58	S	S	.	*			cis	75.2	123.5	30.9	-53.5	160.1	0	0	0	111	N1707 R1708	I145-N1707 WeakPolarHBondContact CD1-ND2 2.94Å; I145-R1708 PolarHBondContact O-NH1 2.7Å
146	S	26.2	Very low	27.7	Very low	117 Å²	117	104.5 Å²	104.5	82%	0.818	58%	0.577	S	S	*	*			trans	-141.7	79.3	161.3	60.2	0	0	0	0	106.8
147	A	30.6	Very low	27.8	Very low	60 Å²	60	101.8 Å²	101.8	50%	0.496	56%	0.557	S	S	.	*			trans	-157.7	119.7	171.4	0	0	0	0	0	103.6	D2244	A147-D2244 VanDerWaalsContact C-OD2 3.23Å; A147-D2244 VanDerWaalsContact O-OD2 3.04Å
148	T	27	Very low	27.5	Very low	97 Å²	97	101.8 Å²	101.8	60%	0.595	55%	0.549	S	S	*	.				-131.1	143.2	52.4	44.9	0	0	0	0	118.3	D2244	T148-D2244 PolarHBondContact N-OD2 3.28Å
149	N	25.2	Very low	27.5	Very low	126 Å²	126	103.4 Å²	103.4	67%	0.674	55%	0.554	S	S	*	*			trans	72.5	144	138.8	-61.8	12.8	0	0	0	123.8
150	D	22.8	Very low	26.9	Very low	139 Å²	139	110.5 Å²	110.5	74%	0.743	57%	0.571	S	S	*	*			trans	55.1	110.8	155.9	-55.9	-21.5	0	0	0	120.3
151	G	23.7	Very low	26.5	Very low	55 Å²	55	117.8 Å²	117.8	57%	0.567	59%	0.594	S	S	*	*			trans	-178	-0	170.8	0	0	0	0	0	125.6
152	R	22.9	Very low	26.2	Very low	222 Å²	222	119 Å²	119	84%	0.838	61%	0.605	S	S	*	*			trans	66.1	164.3	179.8	-46.1	174.3	176.1	-167	-2.5	116
153	Y	24	Very low	26.2	Very low	202 Å²	202	116.3 Å²	116.3	79%	0.792	61%	0.607	S	S	*	*			trans	63.8	154	-180	-51.7	-79.6	0	0	0	113.4
154	E	25.4	Very low	26.1	Very low	69 Å²	69	118.9 Å²	118.9	32%	0.322	63%	0.633	S	S	.	*			cis	-140	174.3	15.2	-149.1	-179.6	148.5	0	0	110.9	R453 S1185 K1186	E154-R453 PolarHBondContact O-NH1 3.15Å; E154-S1185 WeakPolarHBondContact OE2-CB 3.46Å; E154-S1185 PolarHBondContact OE2-OG 2.96Å; E154-K1186 IonicContact OE1-NZ 2.68Å; E154-K1186 PolarHBondContact OE1-NZ 3.03Å
155	W	23.5	Very low	26	Very low	119 Å²	119	125.4 Å²	125.4	45%	0.451	67%	0.667	S	S	.	*			trans	-95.1	133.7	170.2	-85.2	41.1	0	0	0	110.4	E452 R453 K1186	W155-E452 HydrophobicContact CZ2-CG 4.22Å; W155-E452 PolarHBondContact NE1-OE1 2.62Å; W155-R453 VanDerWaalsContact CD1-CZ 3.5Å; W155-R453 HydrophobicContact CH2-CG 4.5Å; W155-R453 HydrophobicContact CZ2-CB 3.73Å; W155-R453 HydrophobicContact CZ2-CG 3.74Å; W155-K1186 PolarHBondContact O-NZ 2.77Å
156	P	27.6	Very low	26	Very low	105 Å²	105	127.1 Å²	127.1	68%	0.682	68%	0.681	S	S	*	*				-135.7	-169.5	73.7	34.8	-15.9	0	0	0	112.7
157	P	30.1	Very low	26.2	Very low	60 Å²	60	126.7 Å²	126.7	39%	0.39	67%	0.669	S	S	.	*			cis	-131.1	-170.1	5.3	45.3	-30.4	0	0	0	117.5	S454 P455	P157-S454 VanDerWaalsContact O-CB 3.27Å; P157-S454 WeakPolarHBondContact O-CB 3.18Å; P157-S454 PolarHBondContact O-OG 2.7Å; P157-P455 HydrophobicContact CG-CB 4.05Å
158	S	24.8	Very low	26	Very low	50 Å²	50	128.9 Å²	128.9	35%	0.35	67%	0.665	S	S	.	*			trans	75.7	94.9	160	80.8	0	0	0	0	121.4	S454 P455	S158-S454 VanDerWaalsContact O-CB 3.24Å; S158-S454 WeakPolarHBondContact O-CB 3.19Å; S158-S454 PolarHBondContact O-OG 2.96Å; S158-S454 WeakPolarHBondContact OG-CB 3.23Å; S158-P455 WeakPolarHBondContact OG-CA 3.1Å; S158-P455 VanDerWaalsContact OG-CB 3.28Å; S158-P455 WeakPolarHBondContact OG-CB 3.45Å
159	M	26.3	Very low	26	Very low	184 Å²	184	130.2 Å²	130.2	91%	0.906	66%	0.663	S	S	*	*				-155.5	115	113.2	-81.5	-160.2	-178	0	0	106.3
160	R	22.7	Very low	26.1	Very low	238 Å²	238	131 Å²	131	90%	0.898	67%	0.665	S	S	*	*				54.2	73.8	83.5	-78.4	-161	178.5	-167.1	2.9	115.9
161	Y	24.5	Very low	26.1	Very low	239 Å²	239	130.9 Å²	130.9	94%	0.937	66%	0.661	S	S	*	*			trans	-164.2	141.7	131	-88.5	-72.8	0	0	0	106.2
162	S	25.3	Very low	26.3	Very low	97 Å²	97	131.9 Å²	131.9	68%	0.678	67%	0.67	S	S	*	*	S	Bend	cis	-150.3	175.1	-4.6	56.1	0	0	0	0	109.5
163	S	29.8	Very low	26.6	Very low	112 Å²	112	126.4 Å²	126.4	78%	0.783	66%	0.657	S	S	*	*			trans	52.5	84	-174.9	56.5	0	0	0	0	114.2
164	A	28.8	Very low	26.8	Very low	90 Å²	90	123.8 Å²	123.8	74%	0.744	66%	0.657	S	S	*	*				65.3	94.5	64.7	0	0	0	0	0	113.2
165	N	28.4	Very low	27.1	Very low	170 Å²	170	125.7 Å²	125.7	91%	0.909	67%	0.673	S	S	*	*			trans	-115.7	97.5	150.5	-143.4	42.2	0	0	0	105.6
166	T	26.2	Very low	27.2	Very low	119 Å²	119	126.6 Å²	126.6	73%	0.73	69%	0.686	S	S	*	*			trans	-141.8	91.9	173.2	45.9	0	0	0	0	109.2
167	D	30.5	Very low	27.4	Very low	107 Å²	107	127.1 Å²	127.1	57%	0.572	69%	0.688	S	S	*	*			trans	-55.2	142.1	135.4	-79.6	-42.9	0	0	0	108.6	H463	D167-H463 IonicContact OD2-CE1 3.92Å; D167-H463 PolarHBondContact OD2-CE1 3.18Å; D167-H463 IonicContact OD2-ND1 3.61Å; D167-H463 PolarHBondContact OD2-ND1 3.38Å
168	R	26.3	Very low	27.3	Very low	106 Å²	106	128.1 Å²	128.1	40%	0.4	69%	0.69	S	S	.	*			trans	143.9	148.8	158	-83.9	159.9	-146.3	153.6	15.7	110	N460 S461 P462	R168-N460 PolarHBondContact NH1-O 2.9Å; R168-S461 VanDerWaalsContact NE-C 3.29Å; R168-S461 PolarHBondContact NE-O 2.78Å; R168-S461 PolarHBondContact NH1-O 2.93Å; R168-S461 VanDerWaalsContact NH2-C 3.32Å; R168-S461 VanDerWaalsContact NH2-CA 3.28Å; R168-P462 VanDerWaalsContact CZ-O 3.28Å; R168-P462 PolarHBondContact NE-O 3.49Å; R168-P462 PolarHBondContact NH2-O 3.07Å
169	F	26.2	Very low	27.4	Very low	126 Å²	126	131 Å²	131	55%	0.553	70%	0.702	S	S	*	*			cis	-152.5	141.2	1.3	-122.5	-48.5	0	0	0	104.6	P462	F169-P462 HydrophobicContact CZ-CG 4.41Å
170	I	27.8	Very low	27.4	Very low	142 Å²	142	129 Å²	129	73%	0.728	68%	0.684	S	S	*	*				168.4	133.4	95.8	-80.7	-158.3	0	0	0	103.9
171	Q	24	Very low	27.6	Very low	137 Å²	137	124.6 Å²	124.6	64%	0.64	67%	0.674	S	S	*	*				82.1	144.2	53.9	-99.2	-178.2	-27.9	0	0	116	I173	Q171-I173 HydrophobicContact CB-CD1 3.78Å; Q171-I173 HydrophobicContact CB-CG1 3.93Å; Q171-I173 HydrophobicContact CG-CD1 3.96Å; Q171-I173 HydrophobicContact CG-CG1 3.84Å
172	G	27.8	Very low	28.1	Very low	75 Å²	75	120 Å²	120	77%	0.773	66%	0.661	S	S	*	*			trans	158	48.9	-177.1	0	0	0	0	0	108.7
173	I	29.4	Very low	28.3	Very low	108 Å²	108	119.6 Å²	119.6	55%	0.554	65%	0.651	S	S	*	*				65.7	108.8	77.6	-64.7	171	0	0	0	112.3	Q171	Q171-I173 HydrophobicContact CB-CD1 3.78Å; Q171-I173 HydrophobicContact CB-CG1 3.93Å; Q171-I173 HydrophobicContact CG-CD1 3.96Å; Q171-I173 HydrophobicContact CG-CG1 3.84Å
174	N	27.2	Very low	28.2	Very low	147 Å²	147	119.3 Å²	119.3	79%	0.786	64%	0.636	S	S	*	*				-172.7	133.7	127.7	-91.6	-18.3	0	0	0	106.9
175	T	31	Very low	28.3	Very low	108 Å²	108	121.9 Å²	121.9	66%	0.663	63%	0.626	S	S	*	*			cis	-153.6	155	-5.8	29.9	0	0	0	0	110.5
176	N	26.1	Very low	28.2	Very low	138 Å²	138	118 Å²	118	74%	0.738	61%	0.605	S	S	*	*			trans	14.2	149.7	137.8	-55.9	-7.9	0	0	0	120.4
177	T	31.2	Very low	28.4	Very low	117 Å²	117	118.5 Å²	118.5	72%	0.718	60%	0.599	S	S	*	*			cis	-160.2	153.9	23.4	-19	0	0	0	0	113.6
178	D	29.2	Very low	28.2	Very low	81 Å²	81	120.3 Å²	120.3	43%	0.433	61%	0.608	S	S	.	*			trans	50.6	114.1	149.4	-77.5	-12.3	0	0	0	122.2	K2164	D178-K2164 WeakPolarHBondContact OD2-CD 3.17Å; D178-K2164 IonicContact OD2-NZ 3.16Å; D178-K2164 PolarHBondContact OD2-NZ 2.77Å
179	N	26.2	Very low	28.3	Very low	111 Å²	111	121.5 Å²	121.5	59%	0.594	63%	0.627	S	S	*	*				82.8	135.3	79.3	-84.3	-51.8	0	0	0	114.1	K2164	N179-K2164 HydrophobicContact CB-CB 4.49Å
180	R	26.5	Very low	28.3	Very low	142 Å²	142	119.7 Å²	119.7	54%	0.536	63%	0.63	S	S	.	*			cis	-158.7	-178.6	23.7	-151.8	-158.9	-73.7	132.3	-16.4	113.3	K2164	R180-K2164 VanDerWaalsContact NE-C 3.27Å; R180-K2164 PolarHBondContact NE-O 3.39Å
181	Q	26.6	Very low	28.4	Very low	145 Å²	145	120 Å²	120	68%	0.678	63%	0.634	S	S	*	*			trans	-83.8	157.6	177.6	-55	162.5	-92	0	0	115.7	N131	N131-Q181 VanDerWaalsContact ND2-C 3.34Å; N131-Q181 PolarHBondContact ND2-O 3.47Å
182	E	35.2	Very low	28.6	Very low	142 Å²	142	120.5 Å²	120.5	66%	0.664	64%	0.641	S	S	*	*			trans	-133.7	153.5	155.3	-69.7	-153.2	115.2	0	0	114.7	S130 N131	S130-E182 WeakPolarHBondContact CA-OE1 3.48Å; S130-E182 PolarHBondContact N-OE1 2.96Å; N131-E182 HydrophobicContact CB-CB 4.22Å; N131-E182 HydrophobicContact CB-CG 4.21Å; N131-E182 WeakPolarHBondContact ND2-CA 2.11Å
183	D	30.6	Very low	28.4	Very low	88 Å²	88	123.7 Å²	123.7	47%	0.471	64%	0.64	S	S	.	*			trans	-169.8	101.9	-179.3	-161.7	34.7	0	0	0	113.3	S130 N131 F132	S130-D183 CarbonylContact O-C 2.88Å; N131-D183 WeakPolarHBondContact CA-O 2.13Å; N131-D183 VanDerWaalsContact N-N 3.17Å; N131-D183 PolarHBondContact N-O 2.59Å; F132-D183 HydrophobicContact CD2-CB 4.33Å; F132-D183 WeakPolarHBondContact CD2-O 2.98Å; F132-D183 HydrophobicContact CE2-CB 4.17Å; F132-D183 VanDerWaalsContact CE2-O 3.26Å; F132-D183 WeakPolarHBondContact CE2-O 3.35Å
184	F	27.3	Very low	28.2	Very low	106 Å²	106	125 Å²	125	47%	0.465	65%	0.648	S	S	.	*			trans	61.9	150.6	173	-70.9	-114.3	0	0	0	121.9	S130 N131 F132 T134	S130-F184 CarbonylContact C-O 3.27Å; S130-F184 CarbonylContact O-C 3.52Å; S130-F184 WeakPolarHBondContact O-CA 2.12Å; S130-F184 PolarHBondContact O-N 3Å; N131-F184 CarbonylContact C-O 2.88Å; N131-F184 PolarHBondContact N-O 2.9Å; F132-F184 PolarHBondContact N-O 2.74Å; T134-F184 HydrophobicContact CG2-CB 3.72Å; T134-F184 PolarHBondContact N-O 2.7Å; T134-F184 PolarHBondContact OG1-O 3.16Å; T134-F184 VanDerWaalsContact OG1-O 3.09Å
185	R	30	Very low	28	Very low	144 Å²	144	125 Å²	125	54%	0.543	65%	0.648	S	S	.	*			cis	174.5	133.7	-21.9	-163.1	-169.3	-141.8	167.3	5.9	110.2	N129	N129-R185 VanDerWaalsContact CG-CA 3.48Å
186	N	27.7	Very low	27.8	Very low	88 Å²	88	127.9 Å²	127.9	47%	0.471	65%	0.648	S	S	.	*			trans	161	122.7	134.5	-83.2	-8.7	0	0	0	112	N129	N129-N186 VanDerWaalsContact CG-N 3.26Å; N129-N186 PolarHBondContact ND2-N 2.69Å; N129-N186 PolarHBondContact OD1-N 2.74Å; N129-N186 PolarHBondContact OD1-O 2.76Å
187	Q	28.8	Very low	27.7	Very low	130 Å²	130	126 Å²	126	61%	0.607	64%	0.638	S	S	*	*				75.6	145.9	74.8	-75.9	-170	80.7	0	0	114.7
188	L	26.5	Very low	27.4	Very low	145 Å²	145	127.5 Å²	127.5	76%	0.759	64%	0.635	S	S	*	*			cis	-175.6	123.9	-23.8	-119.9	180	0	0	0	108.4
189	T	28.6	Very low	27.4	Very low	131 Å²	131	132.8 Å²	132.8	80%	0.804	65%	0.654	S	S	*	*			trans	-165.9	145.4	161.6	44.2	0	0	0	0	110.1
190	S	26.7	Very low	27.4	Very low	88 Å²	88	130.9 Å²	130.9	62%	0.615	65%	0.65	S	S	*	*			cis	162.7	148.7	-34	47.1	0	0	0	0	107.9
191	N	29	Very low	27.4	Very low	150 Å²	150	130.2 Å²	130.2	80%	0.802	66%	0.656	S	S	*	*			trans	79.9	135	-177.7	-49.3	-10	0	0	0	113.1
192	N	28.7	Very low	27.4	Very low	146 Å²	146	129.8 Å²	129.8	78%	0.781	66%	0.659	S	S	*	*			cis	-132.4	-179.8	3.7	-106.1	-12	0	0	0	112.7
193	N	24.1	Very low	27.1	Very low	143 Å²	143	129.1 Å²	129.1	77%	0.765	67%	0.665	S	S	*	*			trans	-83.2	169.4	-160.9	-59.1	-41	0	0	0	116.6
194	N	24.2	Very low	27	Very low	134 Å²	134	128.4 Å²	128.4	72%	0.717	67%	0.671	S	S	*	*			trans	92.5	122.7	153	-60.3	-20.6	0	0	0	120.9
195	N	23.2	Very low	26.9	Very low	148 Å²	148	130.2 Å²	130.2	79%	0.791	69%	0.685	S	S	*	*			trans	39.1	84.1	137.6	-61.9	-9.7	0	0	0	121.2
196	Y	27.8	Very low	26.8	Very low	169 Å²	169	129.8 Å²	129.8	66%	0.663	69%	0.694	S	S	*	*			trans	-141.1	132.6	148.1	-74.1	-79.2	0	0	0	108.5	N1666	Y196-N1666 PolarHBondContact OH-OD1 3.46Å
197	N	24.2	Very low	26.9	Very low	97 Å²	97	132.9 Å²	132.9	52%	0.519	71%	0.705	S	S	.	*			cis	78.5	108.8	15.4	-147.7	45.2	0	0	0	115.1
198	F	25	Very low	27	Very low	149 Å²	149	132.5 Å²	132.5	65%	0.654	71%	0.706	S	S	*	*			trans	63.5	153.4	175.9	-73	-84.4	0	0	0	116
199	K	28	Very low	26.9	Very low	192 Å²	192	132 Å²	132	84%	0.835	70%	0.704	S	S	*	*			cis	-128.6	148.5	29.3	-79.7	-178.7	174.8	177.4	0	116.8
200	S	25.8	Very low	26.9	Very low	72 Å²	72	132.2 Å²	132.2	50%	0.503	70%	0.696	S	S	.	*			trans	-72.3	152.7	151.9	58	0	0	0	0	109.8
201	N	27.5	Very low	27.1	Very low	127 Å²	127	132.7 Å²	132.7	68%	0.679	70%	0.696	S	S	*	*				-157.6	147.9	72.7	-82.2	-14.9	0	0	0	108.5
202	N	26.6	Very low	27.1	Very low	137 Å²	137	129.5 Å²	129.5	73%	0.733	68%	0.678	S	S	*	*				54.5	137.4	80.6	-39.4	-19.5	0	0	0	112.2
203	T	28.9	Very low	27.1	Very low	128 Å²	128	128.2 Å²	128.2	79%	0.785	67%	0.668	S	S	*	*			cis	-129.2	164.4	20	45.7	0	0	0	0	111.5
204	A	27.9	Very low	27.3	Very low	72 Å²	72	124 Å²	124	60%	0.595	64%	0.643	S	S	*	*				56.5	141	58.3	0	0	0	0	0	113.4
205	D	25.7	Very low	27.6	Very low	144 Å²	144	118.6 Å²	118.6	77%	0.77	61%	0.614	S	S	*	*			cis	-162	-170.2	-4.2	-103.8	-31.6	0	0	0	109.5
206	N	27.2	Very low	28	Very low	135 Å²	135	115.5 Å²	115.5	72%	0.722	60%	0.597	S	S	*	*			trans	71.8	155.4	172	-64.5	23.8	0	0	0	115.8
207	E	30.4	Very low	28.4	Very low	153 Å²	153	111.4 Å²	111.4	72%	0.715	59%	0.592	S	S	*	*			cis	-168.9	163.1	-13.9	-103	177.4	98.2	0	0	106.6
208	I	30.1	Very low	28.7	Very low	122 Å²	122	110.6 Å²	110.6	63%	0.626	59%	0.585	S	S	*	*			cis	-170.7	156.3	-27.6	-167.6	166.4	0	0	0	109.3
209	N	24.7	Very low	28.9	Very low	134 Å²	134	111 Å²	111	72%	0.717	59%	0.587	S	S	*	*			trans	68.4	150.8	174.2	-62	-36.5	0	0	0	116.7
210	Q	29.5	Very low	29	Very low	137 Å²	137	105 Å²	105	64%	0.64	57%	0.573	S	S	*	*			cis	-152	136.5	13.6	-145.4	162.2	47.2	0	0	112.9
211	T	29.9	Very low	29.1	Very low	98 Å²	98	107.4 Å²	107.4	60%	0.601	58%	0.58	S	S	*	*			trans	35.3	136	150.6	55.6	0	0	0	0	122.7
212	N	30	Very low	29.3	Very low	82 Å²	82	109.4 Å²	109.4	44%	0.439	59%	0.585	S	S	.	*			cis	-150.2	-152.1	-21.3	-152.8	17.1	0	0	0	107	H214 E1966	N212-H214 PolarHBondContact ND2-CE1 2.76Å; N212-H214 PolarHBondContact ND2-NE2 3.5Å; N212-H214 PolarHBondContact OD1-CE1 2.7Å; N212-E1966 PolarHBondContact ND2-OE2 2.92Å
213	H	29.3	Very low	29.3	Very low	120 Å²	120	111.9 Å²	111.9	56%	0.556	59%	0.589	S	S	*	*			cis	-135.9	-147	11.2	-66.2	-111.3	0	0	0	110	E1966 D1967	H213-E1966 IonicContact CE1-OE2 3.04Å; H213-E1966 IonicContact ND1-OE2 2.78Å; H213-D1967 HydrophobicContact CB-CB 4.45Å; H213-D1967 IonicContact CE1-OD2 3.4Å; H213-D1967 IonicContact CG-OD2 3.13Å; H213-D1967 IonicContact ND1-OD2 2.79Å; H213-D1967 PolarHBondContact ND1-OD2 3.49Å
214	H	27.6	Very low	29.2	Very low	53 Å²	53	112.7 Å²	112.7	25%	0.245	59%	0.588	C	S	.	*			trans	-141	172	-159.6	-54.3	-35.2	0	0	0	113.3	N212 F1635 N1636 D1967	N212-H214 PolarHBondContact ND2-CE1 2.76Å; N212-H214 PolarHBondContact ND2-NE2 3.5Å; N212-H214 PolarHBondContact OD1-CE1 2.7Å; H214-F1635 PolarHBondContact CD2-O 3.31Å; H214-F1635 PolarHBondContact CE1-O 3.22Å; H214-F1635 PolarHBondContact ND1-O 3.46Å; H214-F1635 PolarHBondContact NE2-O 2.7Å; H214-N1636 WeakPolarHBondContact CA-O 3.13Å; H214-N1636 HydrophobicContact CB-CB 4.35Å; H214-N1636 VanDerWaalsContact CB-O 3.31Å; H214-N1636 WeakPolarHBondContact CB-O 2.12Å; H214-D1967 CarbonylContact C-O 3.36Å; H214-D1967 VanDerWaalsContact C-O 3.23Å; H214-D1967 WeakPolarHBondContact CB-O 2.12Å; H214-D1967 VanDerWaalsContact O-O 3.09Å
215	N	30.1	Very low	29.2	Very low	22 Å²	22	115.7 Å²	115.7	12%	0.118	59%	0.593	C	S	.	*				-179.7	144.8	101.4	-149.7	7	0	0	0	118.5	N1636 F1637 P1638 D1967 D1968 N1969	N215-N1636 VanDerWaalsContact C-C 3.44Å; N215-N1636 PolarHBondContact N-O 3.33Å; N215-N1636 VanDerWaalsContact N-O 3.08Å; N215-F1637 VanDerWaalsContact C-C 3.45Å; N215-F1637 CarbonylContact C-O 3.28Å; N215-F1637 PolarHBondContact N-O 3.24Å; N215-F1637 CarbonylContact O-C 3.55Å; N215-F1637 WeakPolarHBondContact O-CA 3.37Å; N215-F1637 PolarHBondContact O-N 3.24Å; N215-P1638 WeakPolarHBondContact O-CB 3.21Å; N215-P1638 WeakPolarHBondContact O-CD 3.34Å; N215-P1638 VanDerWaalsContact O-CG 3.26Å; N215-P1638 WeakPolarHBondContact O-CG 3.3Å; N215-P1638 VanDerWaalsContact O-N 3.1Å; N215-D1967 WeakPolarHBondContact CA-O 3.44Å; N215-D1967 WeakPolarHBondContact CB-O 2.39Å; N215-D1967 PolarHBondContact ND2-O 3.05Å; N215-D1967 PolarHBondContact OD1-O 2.96Å; N215-D1967 VanDerWaalsContact OD1-O 3.08Å; N215-D1968 WeakPolarHBondContact CB-O 3.32Å; N215-D1968 WeakPolarHBondContact ND2-CA 3.21Å; N215-D1968 PolarHBondContact ND2-N 2.96Å; N215-N1969 PolarHBondContact ND2-N 3.49Å
216	L	32.1	Very low	29.2	Very low	82 Å²	82	115 Å²	115	43%	0.429	59%	0.59	S	S	.	*			trans	43.8	158.1	156.1	-112.6	76.2	0	0	0	123	N1636 F1637 P1638	L216-N1636 VanDerWaalsContact CA-CG 3.48Å; L216-N1636 VanDerWaalsContact CA-OD1 3.26Å; L216-N1636 WeakPolarHBondContact CA-OD1 3.15Å; L216-N1636 VanDerWaalsContact N-CG 3.34Å; L216-N1636 PolarHBondContact N-OD1 2.68Å; L216-F1637 VanDerWaalsContact N-N 3.14Å; L216-P1638 WeakPolarHBondContact O-CB 3.37Å
217	P	35.4	Very low	29.2	Very low	84 Å²	84	112.7 Å²	112.7	55%	0.545	58%	0.584	S	S	.	*				-113.4	171.7	-66.7	31.9	-15.6	0	0	0	112.3
218	Q	31.8	Very low	29	Very low	79 Å²	79	111 Å²	111	37%	0.369	58%	0.584	S	S	.	*			cis	98.8	145.1	10.3	-152.4	-178.5	26.3	0	0	116	N1636 F1637	Q218-N1636 PolarHBondContact OE1-ND2 2.85Å; Q218-N1636 PolarHBondContact OE1-OD1 3.43Å; Q218-F1637 HydrophobicContact CB-CE1 4.22Å
219	F	27.8	Very low	28.9	Very low	159 Å²	159	115.7 Å²	115.7	70%	0.697	59%	0.594	S	S	*	*			trans	83.9	146.4	171.6	-57	-70.3	0	0	0	119.4
220	A	31.3	Very low	29.1	Very low	66 Å²	66	113.1 Å²	113.1	55%	0.545	59%	0.587	S	S	.	*			cis	-152	178	13.4	0	0	0	0	0	111.5
221	N	26.4	Very low	29.2	Very low	121 Å²	121	115 Å²	115	65%	0.647	59%	0.592	S	S	*	*			cis	-160	176	-3.5	-145.9	25.1	0	0	0	113.7
222	E	32.4	Very low	29	Very low	169 Å²	169	114.1 Å²	114.1	79%	0.79	58%	0.584	S	S	*	*			trans	78.3	120.8	142.4	-101.7	161.8	-99.1	0	0	125.9
223	K	26.6	Very low	28.9	Very low	190 Å²	190	115.1 Å²	115.1	83%	0.826	59%	0.585	S	S	*	*			trans	-149.6	142.2	142.4	-100.1	-170.4	176.4	179.6	0	109.7
224	L	27.8	Very low	28.8	Very low	145 Å²	145	114.5 Å²	114.5	76%	0.759	59%	0.585	S	S	*	*			trans	24.4	146.5	132.2	-41.4	-179	0	0	0	119.7
225	L	27.2	Very low	28.8	Very low	134 Å²	134	118.1 Å²	118.1	70%	0.702	61%	0.607	S	S	*	*			cis	-164.7	169.6	2.9	-144.9	73.3	0	0	0	111.8
226	D	25.8	Very low	28.7	Very low	130 Å²	130	122.3 Å²	122.3	70%	0.695	63%	0.633	S	S	*	*			trans	17.4	153.9	139.3	-83.1	-41.9	0	0	0	123.7
227	S	26.8	Very low	28.4	Very low	86 Å²	86	124.4 Å²	124.4	60%	0.601	65%	0.645	S	S	*	*			cis	-176.4	166.9	-14.4	-128.8	0	0	0	0	112.1
228	V	26.7	Very low	28	Very low	118 Å²	118	127.3 Å²	127.3	72%	0.715	65%	0.654	S	S	*	*			trans	62.5	133.4	144.9	162.3	0	0	0	0	118.1
229	R	28.1	Very low	27.8	Very low	220 Å²	220	127.9 Å²	127.9	83%	0.83	67%	0.667	S	S	*	*			cis	-171.9	167.7	-1.3	-102.3	-174.6	-169.9	165.6	2.5	107
230	S	27.7	Very low	27.7	Very low	81 Å²	81	127.2 Å²	127.2	57%	0.566	67%	0.671	S	S	*	*			cis	-172	135.1	-17	49.1	0	0	0	0	113.4
231	K	31.8	Very low	27.5	Very low	176 Å²	176	133.1 Å²	133.1	77%	0.765	68%	0.684	S	S	*	*			trans	66	150.7	146.6	-63.4	-177	176.7	-171.9	0	117.3
232	N	26.7	Very low	27.5	Very low	79 Å²	79	133.2 Å²	133.2	42%	0.422	69%	0.689	S	S	.	*				-174.8	177.1	84.6	-82.7	-37.1	0	0	0	114.4	Y2472 N2473 F2474	N232-Y2472 VanDerWaalsContact CB-C 3.43Å; N232-Y2472 WeakPolarHBondContact CB-O 3.39Å; N232-N2473 VanDerWaalsContact CB-O 3.26Å; N232-N2473 WeakPolarHBondContact CB-O 3.36Å; N232-N2473 PolarHBondContact ND2-N 3.36Å; N232-N2473 VanDerWaalsContact OD1-C 3.31Å; N232-F2474 VanDerWaalsContact CG-N 3.32Å; N232-F2474 PolarHBondContact OD1-N 3.31Å
233	F	28.2	Very low	27.2	Very low	104 Å²	104	132.4 Å²	132.4	46%	0.456	69%	0.685	S	S	.	*			trans	-80.9	-175	-172.3	-56.4	-146.3	0	0	0	112.7	N2473 P2475	F233-N2473 WeakPolarHBondContact CA-O 3.46Å; F233-N2473 WeakPolarHBondContact CB-O 3.1Å; F233-N2473 VanDerWaalsContact CD2-O 3.25Å; F233-N2473 WeakPolarHBondContact CD2-O 3.08Å; F233-N2473 WeakPolarHBondContact CG-O 3.35Å; F233-N2473 PolarHBondContact N-O 3.12Å; F233-P2475 WeakPolarHBondContact CE1-O 3.2Å; F233-P2475 VanDerWaalsContact CZ-O 3.24Å; F233-P2475 WeakPolarHBondContact CZ-O 3.01Å
234	N	27.3	Very low	27	Very low	106 Å²	106	128.9 Å²	128.9	57%	0.567	68%	0.683	S	S	*	*			cis	-165.8	154.7	17.2	-146.8	-2.6	0	0	0	114.5
235	N	27.2	Very low	26.9	Very low	129 Å²	129	127.8 Å²	127.8	69%	0.69	69%	0.687	S	S	*	*			trans	45.7	149.4	154.2	-68.1	-15.4	0	0	0	121.6
236	T	26.5	Very low	26.9	Very low	110 Å²	110	126.8 Å²	126.8	68%	0.675	69%	0.691	S	S	*	*			cis	-164.3	-148.3	-24	36.6	0	0	0	0	105.3
237	N	25.7	Very low	27.2	Very low	126 Å²	126	126.5 Å²	126.5	67%	0.674	70%	0.697	S	S	*	*			cis	-168.3	176.5	0.1	-141.1	-52.2	0	0	0	110.4
238	I	27.1	Very low	27.2	Very low	146 Å²	146	129.9 Å²	129.9	75%	0.749	71%	0.708	S	S	*	*			trans	65	138.3	155.2	-72.3	165	0	0	0	117.4
239	S	28.3	Very low	27.2	Very low	90 Å²	90	128.4 Å²	128.4	63%	0.629	71%	0.708	S	S	*	*			cis	-177.6	168.3	-16.1	69.8	0	0	0	0	108.2
240	N	26.6	Very low	27.2	Very low	146 Å²	146	125.8 Å²	125.8	78%	0.781	71%	0.71	S	S	*	*			cis	-171.1	169.1	-24.1	-95.7	-8.9	0	0	0	108.2
241	K	27	Very low	27	Very low	189 Å²	189	130 Å²	130	82%	0.822	72%	0.724	S	S	*	*			trans	76.3	153.1	176	-55.8	-168.4	169.4	-163.7	0	115.3
242	V	26.9	Very low	26.7	Very low	123 Å²	123	128 Å²	128	75%	0.745	73%	0.726	S	S	*	*			cis	-129.5	157.4	18.1	176.5	0	0	0	0	113
243	E	24.5	Very low	26.6	Very low	153 Å²	153	128 Å²	128	72%	0.715	74%	0.736	S	S	*	*			trans	-30.5	160.2	160.7	-66.2	140.7	-145.4	0	0	117.4
244	C	23.2	Very low	26.6	Very low	116 Å²	116	127.1 Å²	127.1	78%	0.784	75%	0.749	S	S	*	*			cis	-166.3	-176.9	-0.6	-120	0	0	0	0	113.3
245	S	25.6	Very low	26.5	Very low	121 Å²	121	128.7 Å²	128.7	85%	0.846	76%	0.761	S	S	*	*			trans	94.4	126.3	152	-61.1	0	0	0	0	121.9
246	S	27.6	Very low	26.4	Very low	113 Å²	113	126.3 Å²	126.3	79%	0.79	76%	0.76	S	S	*	*			trans	-57.6	156.5	-172.9	-166.3	0	0	0	0	119
247	P	31.6	Very low	26.3	Very low	124 Å²	124	130.1 Å²	130.1	81%	0.805	77%	0.767	S	S	*	*			trans	-88.4	-179	157.4	38.7	-34.9	0	0	0	112.8
248	D	26.4	Very low	26.3	Very low	158 Å²	158	130.5 Å²	130.5	85%	0.845	77%	0.769	S	S	*	*			trans	-114.2	159.9	-151.4	-127	-36.5	0	0	0	117.4
249	A	27.6	Very low	26.1	Very low	86 Å²	86	127.8 Å²	127.8	71%	0.711	77%	0.769	S	S	*	*			trans	48.7	152.6	146.8	0	0	0	0	0	123.6
250	N	27.5	Very low	25.9	Very low	165 Å²	165	129.6 Å²	129.6	88%	0.882	78%	0.776	S	S	*	*			trans	-153.3	91	159.4	-139.7	-25.8	0	0	0	112.4
251	M	24.3	Very low	25.9	Very low	171 Å²	171	133.2 Å²	133.2	84%	0.842	78%	0.779	S	S	*	*			trans	-144.1	136.4	165.4	-90.4	-155.3	77.1	0	0	112.7
252	V	24.5	Very low	25.9	Very low	134 Å²	134	135.4 Å²	135.4	81%	0.812	78%	0.781	S	S	*	*			trans	62.5	105	168.3	-170.3	0	0	0	0	117.6
253	A	25.4	Very low	25.6	Very low	78 Å²	78	140.1 Å²	140.1	65%	0.645	79%	0.786	S	S	*	*			trans	-152.3	125	151.1	0	0	0	0	0	113.7
254	A	27.9	Very low	25.6	Very low	86 Å²	86	141.8 Å²	141.8	71%	0.711	79%	0.791	S	S	*	*			trans	70.3	111.6	148.6	0	0	0	0	0	122.7
255	V	25.1	Very low	25.6	Very low	138 Å²	138	142.8 Å²	142.8	84%	0.836	79%	0.794	S	S	*	*			trans	-32.7	146.9	132.9	166	0	0	0	0	112.6
256	A	24.9	Very low	25.6	Very low	79 Å²	79	144.9 Å²	144.9	65%	0.653	80%	0.796	S	S	*	*			cis	-164.6	174.8	-1.3	0	0	0	0	0	111.2
257	F	24.4	Very low	25.5	Very low	190 Å²	190	144.9 Å²	144.9	83%	0.833	80%	0.796	S	S	*	*				-170.5	156.3	120.6	-112.6	-73.7	0	0	0	114.2
258	N	25.3	Very low	25.3	Very low	135 Å²	135	144.9 Å²	144.9	72%	0.722	80%	0.798	S	S	*	*			trans	44.6	103.1	156.9	-74.3	-23.1	0	0	0	122
259	A	24.3	Very low	25.1	Very low	89 Å²	89	143.6 Å²	143.6	74%	0.736	80%	0.797	S	S	*	*				62.7	142.5	111	0	0	0	0	0	122.7
260	V	24.4	Very low	25.1	Very low	128 Å²	128	147.2 Å²	147.2	78%	0.776	80%	0.803	S	S	*	*			trans	83.1	92.7	165.8	-168.5	0	0	0	0	117.5
261	R	26.3	Very low	25	Very low	222 Å²	222	144.4 Å²	144.4	84%	0.838	79%	0.792	S	S	*	*			trans	60	120.6	141.2	-68.6	-179.1	173	176.7	-0.4	120.8
262	R	26	Very low	25.2	Very low	234 Å²	234	143.1 Å²	143.1	88%	0.883	79%	0.789	S	S	*	*			trans	70.5	104.9	133.4	-72.2	-172.6	170.7	-179.1	-5.2	118.2
263	W	21.8	Very low	25.2	Very low	222 Å²	222	140.9 Å²	140.9	84%	0.841	78%	0.779	S	S	*	*	S	Bend	trans	-44.1	160	138.5	-73	20.2	0	0	0	113.1
264	F	24.2	Very low	25.3	Very low	188 Å²	188	140.7 Å²	140.7	83%	0.825	77%	0.767	S	S	*	*			trans	68.3	75.6	177.6	-64.5	-76	0	0	0	116.4
265	T	23.1	Very low	25.2	Very low	137 Å²	137	141.2 Å²	141.2	84%	0.84	76%	0.758	S	S	*	*				-131.4	113.8	120.2	48.9	0	0	0	0	109.2
266	N	25.6	Very low	25.1	Very low	166 Å²	166	138.9 Å²	138.9	89%	0.888	74%	0.744	S	S	*	*			trans	-81.3	141.5	155.8	-118.8	5.6	0	0	0	107.6
267	S	24.1	Very low	25.1	Very low	113 Å²	113	142.4 Å²	142.4	79%	0.79	75%	0.749	S	S	*	*			trans	-73.5	130	-174.9	-51.5	0	0	0	0	112.1
268	S	27.7	Very low	25	Very low	123 Å²	123	142.3 Å²	142.3	86%	0.86	75%	0.748	S	S	*	*			trans	-149.7	98.2	155.8	-71.8	0	0	0	0	109
269	T	23.6	Very low	24.9	Very low	131 Å²	131	140.9 Å²	140.9	80%	0.804	75%	0.749	S	S	*	*			trans	-67.2	138.4	157	42.1	0	0	0	0	108.6
270	L	27.4	Very low	24.9	Very low	162 Å²	162	143.8 Å²	143.8	85%	0.848	76%	0.757	S	S	*	*				-168.7	138.2	115.7	-100.1	162.5	0	0	0	111.8
271	T	23.9	Very low	24.7	Very low	106 Å²	106	147.8 Å²	147.8	65%	0.65	76%	0.758	S	S	*	*			trans	-53.9	149	178.6	48.8	0	0	0	0	114.8
272	N	28.7	Very low	24.5	Very low	145 Å²	145	142.5 Å²	142.5	78%	0.775	75%	0.747	S	S	*	*				-161.8	96.9	106.7	-93.5	-3.5	0	0	0	113
273	S	26	Very low	24.4	Very low	86 Å²	86	140.1 Å²	140.1	60%	0.601	75%	0.746	S	S	*	*				49.8	114.9	127.6	62.5	0	0	0	0	122.4
274	D	26.8	Very low	24.5	Very low	74 Å²	74	136 Å²	136	40%	0.396	74%	0.74	S	S	.	*				91.4	128.6	117.3	-68.6	30.1	0	0	0	122.8	E839	D274-E839 WeakPolarHBondContact OD1-CB 3.43Å
275	N	25.9	Very low	24.5	Very low	97 Å²	97	134.6 Å²	134.6	52%	0.519	74%	0.738	S	S	.	*			trans	96.3	78.3	144.8	-79.4	-52.3	0	0	0	121.6	N838 E839	N275-N838 PolarHBondContact N-O 3.45Å; N275-E839 PolarHBondContact OD1-O 3.31Å
276	T	22.9	Very low	24.5	Very low	90 Å²	90	139.4 Å²	139.4	55%	0.552	74%	0.741	S	S	*	*				49.5	115.4	113.1	62.6	0	0	0	0	120.5
277	M	24.8	Very low	24.7	Very low	153 Å²	153	136.8 Å²	136.8	75%	0.754	73%	0.731	S	S	*	*			trans	-157.5	163.5	130.2	-124.5	179.3	176.2	0	0	113.9	K681	M277-K681 HydrophobicContact CE-CG 4.15Å
278	K	22.8	Very low	24.7	Very low	187 Å²	187	134.4 Å²	134.4	81%	0.813	72%	0.724	S	S	*	*			trans	-73.2	157.8	173.7	-57.8	175.9	178.9	176.6	0	111.1
279	S	22.1	Very low	24.8	Very low	106 Å²	106	135.6 Å²	135.6	74%	0.741	72%	0.721	S	S	*	*			trans	27.5	106.6	145	61.6	0	0	0	0	118.6
280	V	24.3	Very low	24.8	Very low	149 Å²	149	134.9 Å²	134.9	90%	0.903	72%	0.721	S	S	*	*			trans	-151.4	150.7	133.9	123.1	0	0	0	0	111.7
281	W	20.8	Very low	25.3	Very low	213 Å²	213	130.8 Å²	130.8	81%	0.807	72%	0.718	S	S	*	*			trans	-39.4	151.9	176.3	-92.1	14.1	0	0	0	120.8
282	N	22.4	Very low	25.4	Very low	111 Å²	111	131.3 Å²	131.3	59%	0.594	72%	0.721	S	S	*	*			trans	66.8	159.2	130.9	-61.7	4.1	0	0	0	122.4	N284	N282-N284 PolarHBondContact O-N 2.9Å
283	E	24.3	Very low	25.4	Very low	183 Å²	183	131.2 Å²	131.2	86%	0.855	72%	0.721	S	S	*	*			trans	-31.7	103.5	135.1	-58.8	178.3	148	0	0	112.7
284	N	22.9	Very low	25.5	Very low	137 Å²	137	131.5 Å²	131.5	73%	0.733	72%	0.723	S	S	*	*				-122.7	139.6	125.9	-86.7	-58.6	0	0	0	106.4	N282	N282-N284 PolarHBondContact O-N 2.9Å
285	M	24.1	Very low	26.3	Very low	158 Å²	158	136.4 Å²	136.4	78%	0.778	75%	0.747	S	S	*	*			cis	-119.2	123.8	33	-59.7	-167.5	176.7	0	0	114.5	T287	M285-T287 HydrophobicContact CB-CG2 4.22Å; M285-T287 PolarHBondContact O-N 2.73Å; M285-T287 HydrophobicContact SD-CG2 4Å
286	R	22.6	Very low	26.3	Very low	238 Å²	238	134 Å²	134	90%	0.898	75%	0.746	S	S	*	*			trans	-86.5	64.1	142.7	-162.6	-175.7	-168.5	-158.9	3.8	109.3
287	T	29.9	Very low	26.4	Very low	111 Å²	111	139.3 Å²	139.3	68%	0.681	76%	0.761	S	S	*	*			trans	-67.5	134	147.5	41.9	0	0	0	0	106	M285	M285-T287 HydrophobicContact CB-CG2 4.22Å; M285-T287 PolarHBondContact O-N 2.73Å; M285-T287 HydrophobicContact SD-CG2 4Å
288	G	24.2	Very low	26.5	Very low	62 Å²	62	139.3 Å²	139.3	64%	0.639	76%	0.761	S	S	*	*			cis	134.1	-5.5	18.1	0	0	0	0	0	111.4
289	N	31	Very low	26.6	Very low	149 Å²	149	135.9 Å²	135.9	80%	0.797	75%	0.752	S	S	*	*			trans	-123.8	128.5	160.5	-68.8	-43.7	0	0	0	106.3
290	S	23.5	Very low	26.9	Very low	115 Å²	115	138.7 Å²	138.7	80%	0.804	75%	0.753	S	S	*	*			cis	57.9	78.5	44.4	83	0	0	0	0	111.9
291	G	36.9	Very low	27	Very low	76 Å²	76	136.2 Å²	136.2	78%	0.784	74%	0.743	S	S	*	*			trans	-179.2	47.7	-172.5	0	0	0	0	0	112.4
292	T	27.6	Very low	27.2	Very low	117 Å²	117	132.8 Å²	132.8	72%	0.718	74%	0.74	S	S	*	*			trans	-63.7	146.4	168.3	50.3	0	0	0	0	109.1
293	N	27.8	Very low	27.5	Very low	143 Å²	143	134.1 Å²	134.1	77%	0.765	75%	0.746	S	S	*	*				-178.5	165.7	80.8	-100.5	-43.1	0	0	0	110.1
294	S	27.4	Very low	27.4	Very low	93 Å²	93	133.1 Å²	133.1	65%	0.65	75%	0.745	S	S	*	*			cis	-159.7	137.5	-3.2	37.4	0	0	0	0	109.5
295	I	44.7	Very low	28.2	Very low	176 Å²	176	131.7 Å²	131.7	90%	0.903	74%	0.744	S	S	*	*			trans	-141.1	90.5	155.7	-45.3	175.7	0	0	0	106.8
296	G	24.9	Very low	28.1	Very low	48 Å²	48	135.8 Å²	135.8	50%	0.495	75%	0.752	S	S	.	*			trans	-79.8	137.9	172.6	0	0	0	0	0	110.6
297	F	26.2	Very low	28.1	Very low	200 Å²	200	128.1 Å²	128.1	88%	0.877	74%	0.74	S	S	*	*			cis	-152.2	-174.2	-5.7	-57	-81.8	0	0	0	107.9
298	M	26.2	Very low	27.9	Very low	153 Å²	153	127.9 Å²	127.9	75%	0.754	74%	0.743	S	S	*	*			cis	-161.5	166.4	6.9	-149.7	179.1	178.8	0	0	111.3
299	N	24.8	Very low	27.8	Very low	116 Å²	116	131.6 Å²	131.6	62%	0.62	75%	0.747	S	S	*	*			trans	75.8	141.9	143.4	-83.3	-11.8	0	0	0	124.5
300	Q	29.2	Very low	27.5	Very low	164 Å²	164	131 Å²	131	77%	0.766	74%	0.744	S	S	*	*			trans	76	90.1	143.8	-73.1	175.2	8.2	0	0	122.1
301	S	25.7	Very low	27.5	Very low	97 Å²	97	130.6 Å²	130.6	68%	0.678	74%	0.741	S	S	*	*				53.8	128.4	115.7	63.3	0	0	0	0	123.3
302	N	25.3	Very low	26.9	Very low	142 Å²	142	137.5 Å²	137.5	76%	0.759	74%	0.744	S	S	*	*			trans	88.6	124.4	134.6	-76.5	-0.1	0	0	0	123
303	I	27.5	Very low	26.9	Very low	139 Å²	139	138.2 Å²	138.2	71%	0.713	74%	0.742	S	S	*	*			trans	74	102.6	136.5	-60	167.9	0	0	0	118.9
304	L	23.9	Very low	26.8	Very low	161 Å²	161	139.4 Å²	139.4	84%	0.843	74%	0.744	S	S	*	*			trans	48.3	149	135.3	-66.6	171.5	0	0	0	122.3
305	P	39.1	Very low	26.7	Very low	107 Å²	107	143.9 Å²	143.9	70%	0.695	75%	0.754	S	S	*	*			trans	-96.4	151.4	-168.4	37.9	-35.1	0	0	0	114.4
306	Y	22.6	Very low	26	Very low	244 Å²	244	140.5 Å²	140.5	96%	0.957	74%	0.743	S	S	*	*			trans	-147.4	-176.2	143.4	-116.5	-81.8	0	0	0	110.2
307	A	22.6	Very low	26.2	Very low	78 Å²	78	145 Å²	145	65%	0.645	76%	0.755	S	S	*	*			trans	-115	160.9	-153.7	0	0	0	0	0	115.9
308	S	24	Very low	26.1	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	75%	0.749	S	S	*	*			trans	96	133.8	135.6	84	0	0	0	0	120.9
309	L	23.7	Very low	26.5	Very low	141 Å²	141	140.8 Å²	140.8	74%	0.738	75%	0.751	S	S	*	*			trans	70.8	105.4	136.5	-66.6	164.6	0	0	0	121.8
310	N	23	Very low	27.1	Very low	135 Å²	135	140 Å²	140	72%	0.722	75%	0.752	S	S	*	*				88.1	133.2	118.2	-79.3	-0.7	0	0	0	122.3
311	S	23.7	Very low	27.3	Very low	108 Å²	108	138.1 Å²	138.1	76%	0.755	75%	0.754	S	S	*	*			trans	76.5	146.2	151.7	83.6	0	0	0	0	115.8
312	R	24	Very low	27.3	Very low	221 Å²	221	141 Å²	141	83%	0.834	76%	0.761	S	S	*	*			cis	-158.1	172.2	8.9	-141.6	170	-161.9	177.4	6.1	110.8
313	L	27.7	Very low	27.5	Very low	131 Å²	131	139.4 Å²	139.4	69%	0.686	76%	0.756	S	S	*	*			trans	72.8	108.9	157.8	-62.8	163	0	0	0	119.7
314	Q	25.9	Very low	27.5	Very low	169 Å²	169	139.6 Å²	139.6	79%	0.79	76%	0.758	S	S	*	*				53.2	112.7	120.4	-64.1	173.7	-12.3	0	0	120.7
315	H	26.9	Very low	27.7	Very low	187 Å²	187	137.9 Å²	137.9	87%	0.866	75%	0.749	S	S	*	*				-2.3	145.8	126.9	-72.6	-53.4	0	0	0	117.3
316	P	30.1	Very low	27.3	Very low	105 Å²	105	137.7 Å²	137.7	68%	0.682	75%	0.75	S	S	*	*				-155.5	179.6	59.7	41.6	-20.3	0	0	0	119.8
317	L	27.9	Very low	27.6	Very low	143 Å²	143	131.7 Å²	131.7	75%	0.749	74%	0.74	S	S	*	*			trans	75.2	131.5	166.3	-47	-174.6	0	0	0	116.2
318	L	25.2	Very low	28.1	Very low	142 Å²	142	134.8 Å²	134.8	74%	0.743	75%	0.75	S	S	*	*			cis	82	145.3	41.5	-68.5	167.2	0	0	0	112.7
319	P	32.8	Very low	28.4	Very low	121 Å²	121	133.1 Å²	133.1	79%	0.786	75%	0.749	S	S	*	*			cis	-137	172.3	32.2	38.2	-18.3	0	0	0	119.2
320	P	37.6	Very low	28.6	Very low	100 Å²	100	133.8 Å²	133.8	65%	0.649	75%	0.754	S	S	*	*			trans	-89.2	-162.8	166.4	38.6	-34.6	0	0	0	111.5
321	P	33.6	Very low	28.9	Very low	124 Å²	124	130.7 Å²	130.7	81%	0.805	75%	0.747	S	S	*	*				-151.6	173.7	93.7	40.4	-22.8	0	0	0	117
322	L	25.9	Very low	29.3	Very low	158 Å²	158	131.8 Å²	131.8	83%	0.827	75%	0.749	S	S	*	*			trans	-107.7	119.7	166.7	-82.8	170.4	0	0	0	111.2
323	V	28.8	Very low	29.8	Very low	108 Å²	108	127.6 Å²	127.6	66%	0.655	75%	0.748	S	S	*	*				58.3	105.1	121.4	176.3	0	0	0	0	118.9
324	L	29.2	Very low	29.9	Very low	144 Å²	144	128.7 Å²	128.7	75%	0.754	75%	0.75	S	S	*	*			trans	71.7	157.4	146.8	-53.1	175.1	0	0	0	118.1
325	N	27.4	Very low	30	Very low	124 Å²	124	126.4 Å²	126.4	66%	0.663	74%	0.743	S	S	*	*			cis	-158	159.5	-12.6	-115.3	-9.5	0	0	0	108.7
326	S	30.4	Very low	30	Very low	103 Å²	103	122.2 Å²	122.2	72%	0.72	74%	0.735	S	S	*	*				156.1	158.7	89.7	51.7	0	0	0	0	109
327	T	30.2	Very low	30	Very low	119 Å²	119	123.1 Å²	123.1	73%	0.73	74%	0.739	S	S	*	*			cis	-167.6	167.3	-13.4	24.3	0	0	0	0	110.8
328	V	32.1	Very low	30.1	Very low	142 Å²	142	123.7 Å²	123.7	86%	0.861	74%	0.737	S	S	*	*			trans	79.2	129.1	166.2	-161.7	0	0	0	0	115.2
329	G	31.1	Very low	30.3	Very low	70 Å²	70	123.3 Å²	123.3	72%	0.722	74%	0.736	S	S	*	*			cis	169.1	-173.9	-1.2	0	0	0	0	0	110.3
330	N	27.9	Very low	30.1	Very low	156 Å²	156	123.4 Å²	123.4	83%	0.834	73%	0.73	S	S	*	*			cis	-166.4	163.4	-12.8	-159.6	6.5	0	0	0	111.6
331	A	29.2	Very low	29.8	Very low	70 Å²	70	129 Å²	129	58%	0.579	74%	0.74	S	S	*	*			trans	80	155.8	147.7	0	0	0	0	0	123.9
332	T	32.7	Very low	29.6	Very low	131 Å²	131	126.1 Å²	126.1	80%	0.804	73%	0.732	S	S	*	*			trans	75	128.7	171	74.5	0	0	0	0	116
333	T	33.4	Very low	29.8	Very low	132 Å²	132	126.6 Å²	126.6	81%	0.81	73%	0.732	S	S	*	*			cis	-143.6	178.5	5.2	49.6	0	0	0	0	111.2
334	Q	29.4	Very low	29.8	Very low	154 Å²	154	129.1 Å²	129.1	72%	0.72	74%	0.735	S	S	*	*				-165	165.6	-62.6	-132.2	-170.1	7.6	0	0	111.8
335	N	28.5	Very low	29.9	Very low	121 Å²	121	129.4 Å²	129.4	65%	0.647	73%	0.734	S	S	*	*			trans	74.1	93.2	150.4	-55.5	-19.8	0	0	0	123.3
336	S	26.1	Very low	29.8	Very low	99 Å²	99	131 Å²	131	69%	0.692	74%	0.737	S	S	*	*				-4.5	153.7	125.9	58	0	0	0	0	122.2
337	T	29.9	Very low	29.6	Very low	125 Å²	125	137.6 Å²	137.6	77%	0.767	75%	0.746	S	S	*	*				-171	151.4	122.1	15.1	0	0	0	0	116.5
338	H	30	Very low	29.5	Very low	155 Å²	155	135 Å²	135	72%	0.718	74%	0.744	S	S	*	*			trans	67.3	130.6	148	-83.6	-66.4	0	0	0	126.1
339	N	30.7	Very low	29.2	Very low	133 Å²	133	136.4 Å²	136.4	71%	0.711	74%	0.74	S	S	*	*			trans	75.2	149.1	136.8	-65.5	-8.5	0	0	0	121.7
340	N	28.5	Very low	29	Very low	123 Å²	123	140.7 Å²	140.7	66%	0.658	74%	0.741	S	S	*	*			cis	-165.8	169.6	-31.3	-151	-9.7	0	0	0	110.8
341	Y	30.6	Very low	28.9	Very low	218 Å²	218	137.2 Å²	137.2	86%	0.855	73%	0.729	S	S	*	*			trans	69.6	142.1	175.5	-57.1	-84.4	0	0	0	118.3
342	G	29.9	Very low	28.7	Very low	63 Å²	63	140 Å²	140	65%	0.649	75%	0.745	S	S	*	*			cis	169.4	111.8	-14.4	0	0	0	0	0	117.9
343	M	30.2	Very low	28.5	Very low	168 Å²	168	137 Å²	137	83%	0.828	74%	0.739	S	S	*	*			trans	63.7	171.1	152.2	-51.2	-165.9	-179.2	0	0	117.9
344	F	28.8	Very low	28.3	Very low	161 Å²	161	141.3 Å²	141.3	71%	0.706	74%	0.742	S	S	*	*			cis	-142	140.8	12.4	-104.1	-89.9	0	0	0	112.6
345	M	30.7	Very low	28.2	Very low	151 Å²	151	139.8 Å²	139.8	74%	0.744	74%	0.743	S	S	*	*			trans	39	161.9	131.5	-73.6	-135.5	-91.7	0	0	124.3
346	H	25.7	Very low	28.4	Very low	157 Å²	157	138.6 Å²	138.6	73%	0.727	74%	0.742	S	S	*	*			cis	-176.9	161.6	-33.9	-137.5	-68	0	0	0	108.9
347	R	26.9	Very low	28.3	Very low	241 Å²	241	140.3 Å²	140.3	91%	0.909	74%	0.743	S	S	*	*			trans	70.8	155.5	173.7	-52	174.2	179.1	179.6	-1	114.8
348	G	26.7	Very low	28.3	Very low	66 Å²	66	141.7 Å²	141.7	68%	0.68	74%	0.741	S	S	*	*			cis	140.3	155.9	-13.6	0	0	0	0	0	114.9
349	H	26.1	Very low	28.5	Very low	170 Å²	170	139.5 Å²	139.5	79%	0.787	74%	0.739	S	S	*	*			trans	73.5	156	163.1	-84.2	-112.8	0	0	0	120.6
350	H	27.5	Very low	29	Very low	160 Å²	160	137.5 Å²	137.5	74%	0.741	74%	0.741	S	S	*	*			trans	58.4	125.7	166.9	-60.9	-59.6	0	0	0	119.3
351	S	24.7	Very low	29.4	Very low	84 Å²	84	136.5 Å²	136.5	59%	0.587	74%	0.741	S	S	*	*			cis	111.8	130.5	8.8	74.7	0	0	0	0	114.3
352	S	25.4	Very low	29.2	Very low	128 Å²	128	133.5 Å²	133.5	90%	0.895	74%	0.737	S	S	*	*			trans	65.7	152.6	165.1	76.2	0	0	0	0	117.5
353	G	28.8	Very low	29	Very low	67 Å²	67	137.8 Å²	137.8	69%	0.691	74%	0.744	S	S	*	*			trans	152	88.1	175.7	0	0	0	0	0	114.5
354	Y	28.5	Very low	29.1	Very low	223 Å²	223	141.3 Å²	141.3	88%	0.875	75%	0.748	S	S	*	*			trans	51.1	88.3	154.2	-70.3	-85.5	0	0	0	120.8
355	V	27.8	Very low	29.3	Very low	123 Å²	123	137 Å²	137	75%	0.745	75%	0.749	S	S	*	*				-41.3	132.6	119.1	170.5	0	0	0	0	109	N357	V355-N357 HydrophobicContact CG1-CB 4.28Å
356	P	33	Very low	29.5	Very low	96 Å²	96	133.3 Å²	133.3	62%	0.623	75%	0.749	S	S	*	*				-130.6	164.8	63.2	43.4	-29	0	0	0	113.3
357	N	24.1	Very low	29.6	Very low	134 Å²	134	135.3 Å²	135.3	72%	0.717	76%	0.756	S	S	*	*			cis	66.8	148.8	40.4	-143.8	5.2	0	0	0	111.9	V355	V355-N357 HydrophobicContact CG1-CB 4.28Å
358	H	29	Very low	29.7	Very low	155 Å²	155	132.6 Å²	132.6	72%	0.718	75%	0.751	S	S	*	*			trans	65.3	138.2	-160.7	-47.8	-81.4	0	0	0	113.5
359	T	34.8	Very low	29.9	Very low	108 Å²	108	139.7 Å²	139.7	66%	0.663	76%	0.757	S	S	*	*			cis	-153.3	147.5	-9.8	5.3	0	0	0	0	109.5	P361	T359-P361 WeakPolarHBondContact O-CD 3.45Å
360	A	41.5	Very low	29.9	Very low	92 Å²	92	136.2 Å²	136.2	76%	0.76	75%	0.752	S	S	*	*			trans	-93.6	116.9	145.2	0	0	0	0	0	108.6
361	P	37.5	Very low	30	Very low	101 Å²	101	137.2 Å²	137.2	66%	0.656	76%	0.756	S	S	*	*			trans	-119.7	109.7	151.3	14.6	8.2	0	0	0	107.1	T359	T359-P361 WeakPolarHBondContact O-CD 3.45Å
362	M	25.6	Very low	30.3	Very low	156 Å²	156	138.1 Å²	138.1	77%	0.768	76%	0.762	S	S	*	*			cis	51.9	148.3	30.1	-97.3	-134.8	170.1	0	0	113.8
363	L	25.6	Very low	30.4	Very low	152 Å²	152	141 Å²	141	80%	0.796	76%	0.762	S	S	*	*			trans	72.8	139.2	-177.5	-39.8	175.9	0	0	0	112.4
364	R	31.8	Very low	30.5	Very low	242 Å²	242	143.3 Å²	143.3	91%	0.913	77%	0.768	S	S	*	*	S	Bend	cis	-135	157.7	12.3	-61	168.8	-176	-167.2	0	109.7
365	G	33.9	Very low	30.6	Very low	72 Å²	72	137.5 Å²	137.5	74%	0.742	76%	0.759	S	S	*	*			cis	-105.8	-174.9	-11.2	0	0	0	0	0	112.1
366	G	35.2	Very low	30.6	Very low	72 Å²	72	137.9 Å²	137.9	74%	0.742	76%	0.762	S	S	*	*			cis	96	98.5	24.7	0	0	0	0	0	109.1
367	K	27	Very low	30.3	Very low	200 Å²	200	139.6 Å²	139.6	87%	0.87	77%	0.766	S	S	*	*			cis	71.1	131.4	20.7	-146.7	177.4	-171.3	177	0	113.4
368	K	29.3	Very low	30.5	Very low	184 Å²	184	140.5 Å²	140.5	80%	0.8	77%	0.766	S	S	*	*			trans	78.3	154.4	-169.8	-49	171.2	-176.4	-179	0	112.8
369	R	30.5	Very low	30.4	Very low	215 Å²	215	138.9 Å²	138.9	81%	0.811	76%	0.762	S	S	*	*			cis	-122.2	161.6	1	-93.6	101.8	168.9	-153.9	-6.8	110.2
370	S	26.4	Very low	30.1	Very low	96 Å²	96	141.9 Å²	141.9	67%	0.671	77%	0.766	S	S	*	*			cis	78.6	100	8.4	87.4	0	0	0	0	119.7
371	H	29.1	Very low	29.3	Very low	182 Å²	182	144 Å²	144	84%	0.843	76%	0.764	S	S	*	*			trans	-129.1	147.8	149.7	-79.6	-98.8	0	0	0	106.9
372	S	30.8	Very low	28.8	Very low	102 Å²	102	146.5 Å²	146.5	71%	0.713	77%	0.771	S	S	*	*			cis	-163	137.3	-12.5	37.3	0	0	0	0	106.2
373	Q	28.2	Very low	28.9	Very low	189 Å²	189	143.5 Å²	143.5	88%	0.883	77%	0.765	S	S	*	*			cis	83.9	146.4	39.9	-89.8	-153.2	-36.2	0	0	117.2
374	S	30.6	Very low	28.8	Very low	116 Å²	116	140.5 Å²	140.5	81%	0.811	76%	0.757	S	S	*	*			trans	75	145.6	-173.6	72.8	0	0	0	0	115.7
375	S	30.4	Very low	28.6	Very low	100 Å²	100	135.8 Å²	135.8	70%	0.699	75%	0.749	S	S	*	*			cis	-168.6	127.7	-13.7	37.1	0	0	0	0	108.4
376	V	28	Very low	28.1	Very low	132 Å²	132	137.7 Å²	137.7	80%	0.8	75%	0.746	S	S	*	*				83.3	149.2	80.3	171	0	0	0	0	114.3
377	N	26.2	Very low	27.7	Very low	132 Å²	132	145.4 Å²	145.4	71%	0.706	75%	0.753	S	S	*	*			trans	76.4	148.2	-172.4	-68.2	17.4	0	0	0	115.3
378	E	29.6	Very low	27.5	Very low	152 Å²	152	140.1 Å²	140.1	71%	0.71	74%	0.741	S	S	*	*			cis	-169.8	165.2	-5.7	-108.2	172.3	-64.2	0	0	107.7
379	L	26.6	Very low	27.3	Very low	122 Å²	122	135.9 Å²	135.9	64%	0.639	74%	0.735	S	S	*	*			cis	-163.3	-172.9	-18.6	-133.7	179.2	0	0	0	108.9
380	F	28.5	Very low	27.2	Very low	171 Å²	171	134.9 Å²	134.9	75%	0.75	74%	0.739	S	S	*	*			trans	56.7	90.1	166.3	-63.9	-66.3	0	0	0	120.2
381	D	24.6	Very low	27.2	Very low	136 Å²	136	133.4 Å²	133.4	73%	0.727	74%	0.739	S	S	*	*				83.3	-152.4	110.6	-143.7	44.9	0	0	0	114.2	S383	D381-S383 PolarHBondContact OD2-N 3.38Å
382	I	27.4	Very low	27.1	Very low	154 Å²	154	130 Å²	130	79%	0.79	74%	0.736	S	S	*	*			cis	-136.5	141.7	14.1	-52.2	171.5	0	0	0	112.4
383	S	26.8	Very low	26.9	Very low	92 Å²	92	132.2 Å²	132.2	64%	0.643	74%	0.739	S	S	*	*			trans	-49.9	166.9	165.5	-66.1	0	0	0	0	116.2	D381	D381-S383 PolarHBondContact OD2-N 3.38Å
384	S	24.6	Very low	26.8	Very low	90 Å²	90	129 Å²	129	63%	0.629	73%	0.728	S	S	*	*			cis	176.3	-165.8	-15.2	61.8	0	0	0	0	108.9
385	L	27	Very low	26.8	Very low	142 Å²	142	130 Å²	130	74%	0.743	72%	0.723	S	S	*	*			trans	59.2	99.5	154.3	-67.1	167.5	0	0	0	118.6
386	T	24.2	Very low	26.6	Very low	113 Å²	113	132.6 Å²	132.6	69%	0.693	73%	0.726	S	S	*	*				76.8	151.5	80	62.7	0	0	0	0	117.4
387	R	25.3	Very low	26.7	Very low	234 Å²	234	133.6 Å²	133.6	88%	0.883	72%	0.722	S	S	*	*			trans	74.2	153.7	166	-69.1	-174.7	176.3	-178.6	-1.5	116.6
388	S	24	Very low	26.6	Very low	88 Å²	88	132 Å²	132	62%	0.615	72%	0.72	S	S	*	*			cis	172.1	150.1	-46.3	48	0	0	0	0	108.7
389	S	25.5	Very low	26.4	Very low	96 Å²	96	132.9 Å²	132.9	67%	0.671	73%	0.727	S	S	*	*			trans	66.5	152.4	148.1	70.8	0	0	0	0	119.3
390	Q	28.6	Very low	26.2	Very low	193 Å²	193	138.8 Å²	138.8	90%	0.902	74%	0.741	S	S	*	*			trans	68.6	138	170.4	-55.2	175.5	-2.3	0	0	115
391	G	26.4	Very low	26	Very low	65 Å²	65	134.3 Å²	134.3	67%	0.67	74%	0.743	S	S	*	*			cis	167.9	121	-7.9	0	0	0	0	0	111.9
392	S	25.3	Very low	26.1	Very low	111 Å²	111	132.8 Å²	132.8	78%	0.776	74%	0.743	S	S	*	*			trans	16.3	116.8	155.4	56.2	0	0	0	0	118.6
393	L	26.9	Very low	26.1	Very low	149 Å²	149	133.8 Å²	133.8	78%	0.78	74%	0.744	S	S	*	*				-161.5	134.1	115.7	-127.7	73.2	0	0	0	113.2
394	N	26	Very low	26.2	Very low	122 Å²	122	134.5 Å²	134.5	65%	0.652	75%	0.749	S	S	*	*			trans	60.8	136.6	136.1	-76.2	4.5	0	0	0	124.4
395	I	30.1	Very low	26.3	Very low	137 Å²	137	139.3 Å²	139.3	70%	0.703	76%	0.764	S	S	*	*			trans	75.4	130.7	134.7	-69.6	170.2	0	0	0	116.5
396	M	27.1	Very low	26.7	Very low	153 Å²	153	135.8 Å²	135.8	75%	0.754	76%	0.762	S	S	*	*			cis	-145.8	-177.8	4	-137.7	-175.2	-68.9	0	0	113.2
397	Q	29.8	Very low	27.4	Very low	154 Å²	154	136.3 Å²	136.3	72%	0.72	77%	0.767	S	S	*	*			trans	-46.1	146	167.4	-70.1	135.5	-13.3	0	0	112.8
398	S	24.3	Very low	27.4	Very low	97 Å²	97	130.8 Å²	130.8	68%	0.678	76%	0.764	S	S	*	*			cis	78	140.9	47.1	102.7	0	0	0	0	115.2
399	M	25	Very low	27.7	Very low	172 Å²	172	130 Å²	130	85%	0.847	76%	0.763	S	S	*	*			trans	83	137.8	179.9	-51.6	-152.9	-169.5	0	0	119.5
400	R	23.7	Very low	27.8	Very low	245 Å²	245	135 Å²	135	93%	0.925	78%	0.776	S	S	*	*			trans	10.5	127.7	152.6	-55.9	177.3	-179.7	-170.4	-0	118.7
401	G	24.4	Very low	27.9	Very low	78 Å²	78	129.5 Å²	129.5	80%	0.804	77%	0.771	S	S	*	*			trans	-177.3	120.1	158.3	0	0	0	0	0	114.4
402	S	25.7	Very low	28	Very low	103 Å²	103	131.5 Å²	131.5	72%	0.72	78%	0.775	S	S	*	*			trans	-52.1	140.6	163.5	-48.9	0	0	0	0	111.9
403	H	28	Very low	28.1	Very low	176 Å²	176	137.4 Å²	137.4	82%	0.815	78%	0.782	S	S	*	*				176.1	139.1	100.9	-94.7	-73.6	0	0	0	111.5
404	S	29.2	Very low	28.3	Very low	106 Å²	106	133.6 Å²	133.6	74%	0.741	78%	0.779	S	S	*	*			trans	-111.1	130.3	172.6	55.6	0	0	0	0	110.5
405	M	27	Very low	28.7	Very low	192 Å²	192	137.3 Å²	137.3	95%	0.946	79%	0.792	S	S	*	*				-171.7	159.3	127.8	-104.7	176.6	173.4	0	0	110.8
406	G	34.3	Very low	28.6	Very low	68 Å²	68	138.3 Å²	138.3	70%	0.701	80%	0.798	S	S	*	*			trans	-79.2	-168	177.2	0	0	0	0	0	113.3
407	P	38	Very low	29	Very low	124 Å²	124	136.7 Å²	136.7	81%	0.805	80%	0.801	S	S	*	*				-139	173.7	68.8	39.5	-25.2	0	0	0	116.8
408	S	26.7	Very low	29	Very low	117 Å²	117	134 Å²	134	82%	0.818	81%	0.806	S	S	*	*			trans	5.6	162	142.5	-35.7	0	0	0	0	121
409	A	29.1	Very low	29.2	Very low	73 Å²	73	133.9 Å²	133.9	60%	0.603	81%	0.81	S	S	*	*			cis	-157.8	170	17.3	0	0	0	0	0	114
410	E	28.1	Very low	29.2	Very low	200 Å²	200	131 Å²	131	94%	0.935	81%	0.808	S	S	*	*			trans	63.7	151.3	149.3	-71.8	165	-148.2	0	0	121.3
411	G	31.3	Very low	29.3	Very low	78 Å²	78	128.1 Å²	128.1	80%	0.804	81%	0.809	S	S	*	*			trans	130.1	93	174.6	0	0	0	0	0	114.5
412	S	28.1	Very low	29.3	Very low	106 Å²	106	127.6 Å²	127.6	74%	0.741	80%	0.804	S	S	*	*			trans	-102.7	162.1	179.3	-66.8	0	0	0	0	113.3
413	Y	28.4	Very low	29.5	Very low	235 Å²	235	127.8 Å²	127.8	92%	0.922	81%	0.812	S	S	*	*			trans	78.3	111.2	167.3	-66	-81.3	0	0	0	119.8
414	G	30.1	Very low	29.5	Very low	70 Å²	70	124.9 Å²	124.9	72%	0.722	81%	0.811	S	S	*	*				93.9	93.6	125.7	0	0	0	0	0	118.2
415	H	34.5	Very low	29.7	Very low	199 Å²	199	126.3 Å²	126.3	92%	0.921	82%	0.818	S	S	*	*			trans	-144.6	141.6	158.1	-105.3	-84.6	0	0	0	112.4
416	L	28.4	Very low	30	Very low	158 Å²	158	120.7 Å²	120.7	83%	0.827	81%	0.809	S	S	*	*			trans	-90.5	162.8	166.2	-77.7	161.2	0	0	0	110.3
417	S	35.9	Very low	30	Very low	119 Å²	119	122.5 Å²	122.5	83%	0.832	82%	0.818	S	S	*	*			trans	70	73.5	160.8	-55.4	0	0	0	0	118.7
418	A	29.2	Very low	29.8	Very low	98 Å²	98	121.6 Å²	121.6	81%	0.81	81%	0.814	S	S	*	*	S	Bend		178.8	121.7	120.6	0	0	0	0	0	113
419	A	27.3	Very low	30.2	Very low	94 Å²	94	120.8 Å²	120.8	78%	0.777	81%	0.807	S	S	*	*	S	Bend	trans	53.2	126	162.9	0	0	0	0	0	120.6
420	S	26	Very low	30.3	Very low	113 Å²	113	124.1 Å²	124.1	79%	0.79	82%	0.815	S	S	*	*			trans	80.7	136.1	165.7	-44.9	0	0	0	0	118
421	L	26.2	Very low	30.6	Very low	183 Å²	183	122.3 Å²	122.3	96%	0.958	81%	0.81	S	S	*	*			trans	64.9	149.4	176.5	-50.5	173.6	0	0	0	114.3
422	G	24.6	Very low	30.5	Very low	67 Å²	67	129.2 Å²	129.2	69%	0.691	81%	0.812	S	S	*	*			cis	179.2	-159.9	-4.1	0	0	0	0	0	111.5
423	A	28.7	Very low	30.5	Very low	107 Å²	107	135.5 Å²	135.5	88%	0.884	82%	0.819	S	S	*	*			trans	73	131.7	171	0	0	0	0	0	119.7
424	S	28.9	Very low	30.4	Very low	116 Å²	116	130.5 Å²	130.5	81%	0.811	81%	0.813	S	S	*	*			trans	-101.5	171.9	155.6	-43	0	0	0	0	108.1
425	P	34	Very low	30.4	Very low	136 Å²	136	134.2 Å²	134.2	88%	0.883	82%	0.816	S	S	*	*				-149.3	174.3	76.5	38.7	-19.6	0	0	0	115.4
426	G	32.3	Very low	30.2	Very low	73 Å²	73	129 Å²	129	75%	0.753	80%	0.802	S	S	*	*			trans	165.6	135.4	172.5	0	0	0	0	0	112.2
427	A	34.2	Very low	30.3	Very low	107 Å²	107	126.8 Å²	126.8	88%	0.884	80%	0.8	S	S	*	*			trans	-77.4	167.4	175.9	0	0	0	0	0	111
428	S	33.4	Very low	30	Very low	104 Å²	104	128.8 Å²	128.8	73%	0.727	80%	0.801	S	S	*	*			cis	-149.4	169.6	11	53.8	0	0	0	0	112
429	C	34.7	Very low	30	Very low	100 Å²	100	127.2 Å²	127.2	68%	0.676	79%	0.794	S	S	*	*			trans	60.6	102.9	161.7	-64.7	0	0	0	0	119.5
430	D	32.3	Very low	29.8	Very low	144 Å²	144	130.1 Å²	130.1	77%	0.77	80%	0.797	S	S	*	*				64.4	116	116	-50.8	-31.7	0	0	0	120.1
431	I	33.2	Very low	29.8	Very low	161 Å²	161	129.8 Å²	129.8	83%	0.826	80%	0.795	S	S	*	*			cis	-137.5	150.1	-8.3	-69.4	-175.2	0	0	0	109
432	R	29.6	Very low	30	Very low	223 Å²	223	125.1 Å²	125.1	84%	0.842	78%	0.777	S	S	*	*			trans	-89.2	139.5	-177	-66.6	174.5	-177.2	-176.4	0.2	111
433	R	29.4	Very low	30.5	Very low	239 Å²	239	126.3 Å²	126.3	90%	0.902	76%	0.764	S	S	*	*				71.3	94.7	59.9	-168.5	-163.1	-82.8	-161.4	-2.1	114.3
434	T	26.2	Very low	30.5	Very low	130 Å²	130	124 Å²	124	80%	0.798	74%	0.739	S	S	*	*			trans	-148.2	161.6	162.4	50.3	0	0	0	0	107.1
435	L	28.6	Very low	30.4	Very low	148 Å²	148	122.2 Å²	122.2	78%	0.775	73%	0.732	S	S	*	*			cis	-151.4	169.2	-16.1	-122.1	173.7	0	0	0	108.5
436	S	30.5	Very low	30.4	Very low	89 Å²	89	121.6 Å²	121.6	62%	0.622	73%	0.728	S	S	*	*	S	Bend	trans	-95.5	137.6	171.8	56.1	0	0	0	0	112.1
437	S	30.1	Very low	30.5	Very low	112 Å²	112	123.4 Å²	123.4	78%	0.783	73%	0.726	S	S	*	*	S	Bend	trans	43	105.8	166.3	62	0	0	0	0	116.9
438	N	29.8	Very low	30.1	Very low	160 Å²	160	122.9 Å²	122.9	86%	0.856	72%	0.722	S	S	*	*			trans	63.1	119.5	-168.6	-65.7	-17.4	0	0	0	113.3
439	G	28.9	Very low	30	Very low	65 Å²	65	123.3 Å²	123.3	67%	0.67	72%	0.722	S	S	*	*			cis	171.8	170	-2.3	0	0	0	0	0	111.4
440	N	23.9	Very low	29.5	Very low	155 Å²	155	127.9 Å²	127.9	83%	0.829	73%	0.731	S	S	*	*			trans	41.9	96.8	173.9	-71.9	0.4	0	0	0	115.9
441	S	25.3	Very low	29.1	Very low	107 Å²	107	126.3 Å²	126.3	75%	0.748	73%	0.731	S	S	*	*				81.1	156.6	122.6	81	0	0	0	0	115.6
442	S	31.4	Very low	28.7	Very low	84 Å²	84	124.4 Å²	124.4	59%	0.587	72%	0.719	S	S	*	*	S	Bend	cis	-140.6	160.7	21.5	69.4	0	0	0	0	113
443	H	34.3	Very low	28.5	Very low	92 Å²	92	119.6 Å²	119.6	43%	0.426	70%	0.7	S	S	.	*	S	Bend	cis	-138.2	119.2	17.5	-97.1	-71.6	0	0	0	114.3	T1830 F1831	H443-T1830 WeakPolarHBondContact O-CA 3.35Å; H443-T1830 VanDerWaalsContact O-CG2 3.29Å; H443-T1830 WeakPolarHBondContact O-CG2 3.4Å; H443-F1831 HydrophobicContact CB-CB 3.42Å; H443-F1831 VanDerWaalsContact CB-CB 3.42Å; H443-F1831 HydrophobicContact CB-CD1 3.56Å; H443-F1831 HydrophobicContact CB-CD2 4.07Å; H443-F1831 HydrophobicContact CB-CE1 4.28Å; H443-F1831 HydrophobicContact CB-CG 3.46Å; H443-F1831 VanDerWaalsContact CB-CG 3.46Å; H443-F1831 AromaticContact CG-CD1 3.43Å; H443-F1831 VanDerWaalsContact CG-CD1 3.43Å; H443-F1831 AromaticContact CG-CE1 3.99Å; H443-F1831 AromaticContact CG-CG 3.91Å; H443-F1831 AromaticContact ND1-CD1 3.43Å; H443-F1831 WeakPolarHBondContact ND1-CD1 2.45Å; H443-F1831 AromaticContact ND1-CE1 3.48Å; H443-F1831 WeakPolarHBondContact ND1-CE1 3.01Å
444	T	30.2	Very low	28.7	Very low	59 Å²	59	110.2 Å²	110.2	36%	0.362	67%	0.672	S	S	.	*				48.4	139.2	126.8	33.7	0	0	0	0	121.4	F1831	T444-F1831 WeakPolarHBondContact O-CD2 3.49Å; T444-F1831 VanDerWaalsContact OG1-CE1 3.3Å; T444-F1831 WeakPolarHBondContact OG1-CE1 3.25Å; T444-F1831 WeakPolarHBondContact OG1-CE2 3.01Å; T444-F1831 WeakPolarHBondContact OG1-CZ 2.87Å
445	A	25.8	Very low	29.4	Very low	78 Å²	78	107.2 Å²	107.2	65%	0.645	65%	0.654	S	S	*	*			cis	68.4	150.6	5.3	0	0	0	0	0	118.2
446	P	34	Very low	29.4	Very low	124 Å²	124	106.7 Å²	106.7	81%	0.805	65%	0.646	S	S	*	*			cis	-120.7	-109.5	-33.2	22.7	1.1	0	0	0	115.3
447	P	34.3	Very low	29.3	Very low	110 Å²	110	112.2 Å²	112.2	71%	0.714	65%	0.654	S	S	*	*				-130.6	158.9	-115.1	40.2	-23.5	0	0	0	119.7
448	A	25.3	Very low	29.1	Very low	97 Å²	97	111.5 Å²	111.5	80%	0.802	65%	0.648	S	S	*	*			trans	67.7	165.5	160	0	0	0	0	0	116.7
449	P	32.3	Very low	29.5	Very low	112 Å²	112	109.5 Å²	109.5	73%	0.727	64%	0.644	S	S	*	*			cis	-134.1	179.7	5.3	40	-20.7	0	0	0	117.1
450	F	23.5	Very low	29.5	Very low	197 Å²	197	112.7 Å²	112.7	86%	0.864	65%	0.646	S	S	*	*			trans	31.5	137.4	153	-82.7	-84.3	0	0	0	122.9
451	S	24.1	Very low	29.8	Very low	110 Å²	110	108.7 Å²	108.7	77%	0.769	63%	0.63	S	S	*	*			trans	70.8	167.9	162.9	8.5	0	0	0	0	116.4
452	E	24.8	Very low	30.5	Very low	121 Å²	121	106.6 Å²	106.6	57%	0.565	61%	0.614	S	S	*	*			cis	-155.8	166.1	-14.7	-96.8	-125.7	159.3	0	0	106.8	W155	W155-E452 HydrophobicContact CZ2-CG 4.22Å; W155-E452 PolarHBondContact NE1-OE1 2.62Å
453	R	25.1	Very low	30.7	Very low	122 Å²	122	108.1 Å²	108.1	46%	0.46	61%	0.612	S	S	.	*			cis	-161.7	158.4	-17.9	-177.2	-163.2	-73.7	-118	-5.2	108	E154 W155	E154-R453 PolarHBondContact O-NH1 3.15Å; W155-R453 VanDerWaalsContact CD1-CZ 3.5Å; W155-R453 HydrophobicContact CH2-CG 4.5Å; W155-R453 HydrophobicContact CZ2-CB 3.73Å; W155-R453 HydrophobicContact CZ2-CG 3.74Å
454	S	33.4	Very low	30.6	Very low	42 Å²	42	109 Å²	109	29%	0.294	63%	0.628	S	S	.	*			trans	-82.5	-167.8	168.3	-19.7	0	0	0	0	112.8	P157 S158	P157-S454 VanDerWaalsContact O-CB 3.27Å; P157-S454 WeakPolarHBondContact O-CB 3.18Å; P157-S454 PolarHBondContact O-OG 2.7Å; S158-S454 VanDerWaalsContact O-CB 3.24Å; S158-S454 WeakPolarHBondContact O-CB 3.19Å; S158-S454 PolarHBondContact O-OG 2.96Å; S158-S454 WeakPolarHBondContact OG-CB 3.23Å
455	P	40.9	Very low	30.7	Very low	67 Å²	67	112 Å²	112	44%	0.435	65%	0.651	S	S	.	*			cis	-139.5	-171.6	25	43.7	-21.9	0	0	0	116.9	P157 S158	P157-P455 HydrophobicContact CG-CB 4.05Å; S158-P455 WeakPolarHBondContact OG-CA 3.1Å; S158-P455 VanDerWaalsContact OG-CB 3.28Å; S158-P455 WeakPolarHBondContact OG-CB 3.45Å
456	F	30.1	Very low	31	Very low	138 Å²	138	111.9 Å²	111.9	61%	0.605	66%	0.658	S	S	*	*				-145.2	-113.3	90.1	-112.4	-94.7	0	0	0	118.2
457	W	27.2	Very low	30.9	Very low	205 Å²	205	112.4 Å²	112.4	78%	0.777	66%	0.664	S	S	*	*			trans	-145.2	177.4	-145.2	-82.5	-0.8	0	0	0	115.4
458	S	25.7	Very low	30.8	Very low	96 Å²	96	110.1 Å²	110.1	67%	0.671	66%	0.661	S	S	*	*			cis	-163.8	-52.7	-33.2	-86.4	0	0	0	0	117.7
459	P	39.1	Very low	31	Very low	119 Å²	119	115 Å²	115	77%	0.773	67%	0.665	S	S	*	*			trans	-96.2	-172.1	-157	41	-39.8	0	0	0	115
460	N	29.7	Very low	30.8	Very low	131 Å²	131	115.5 Å²	115.5	70%	0.701	66%	0.661	S	S	*	*			cis	-147.3	-132.9	11.7	-161	-15	0	0	0	114.2	R168	R168-N460 PolarHBondContact NH1-O 2.9Å
461	S	29.2	Very low	31.1	Very low	71 Å²	71	111.9 Å²	111.9	50%	0.497	65%	0.651	S	S	.	*			trans	-126.1	176.5	-164.7	-53.9	0	0	0	0	112.8	R168	R168-S461 VanDerWaalsContact NE-C 3.29Å; R168-S461 PolarHBondContact NE-O 2.78Å; R168-S461 PolarHBondContact NH1-O 2.93Å; R168-S461 VanDerWaalsContact NH2-C 3.32Å; R168-S461 VanDerWaalsContact NH2-CA 3.28Å
462	P	41.1	Very low	31.4	Very low	63 Å²	63	117.1 Å²	117.1	41%	0.409	66%	0.655	S	S	.	*			cis	-128.3	-142.1	-3.7	44.7	-26.5	0	0	0	113.8	R168 F169	R168-P462 VanDerWaalsContact CZ-O 3.28Å; R168-P462 PolarHBondContact NE-O 3.49Å; R168-P462 PolarHBondContact NH2-O 3.07Å; F169-P462 HydrophobicContact CZ-CG 4.41Å
463	H	33.8	Very low	31.7	Very low	117 Å²	117	118.6 Å²	118.6	54%	0.542	66%	0.662	S	S	.	*			trans	-141.8	-160.4	176.5	-50	-102.3	0	0	0	108.5	D167	D167-H463 IonicContact OD2-CE1 3.92Å; D167-H463 PolarHBondContact OD2-CE1 3.18Å; D167-H463 IonicContact OD2-ND1 3.61Å; D167-H463 PolarHBondContact OD2-ND1 3.38Å
464	S	32.4	Very low	32	Very low	111 Å²	111	117.7 Å²	117.7	78%	0.776	67%	0.67	S	S	*	*			cis	176.2	167.7	3.2	37.4	0	0	0	0	107
465	S	33.4	Very low	31.9	Very low	120 Å²	120	119.8 Å²	119.8	84%	0.839	69%	0.685	S	S	*	*			cis	177.4	153.1	-17.1	54.6	0	0	0	0	109.4
466	G	31.9	Very low	31.5	Very low	76 Å²	76	120.1 Å²	120.1	78%	0.784	69%	0.689	S	S	*	*			trans	-171.3	167.9	177.7	0	0	0	0	0	119.6
467	S	32.3	Very low	31.5	Very low	135 Å²	135	119.9 Å²	119.9	94%	0.944	69%	0.689	S	S	*	*			trans	-178	170.4	175.3	1.5	0	0	0	0	110.3
468	G	31.2	Very low	31.6	Very low	63 Å²	63	118.5 Å²	118.5	65%	0.649	69%	0.689	S	S	*	*			cis	133.8	118.8	-4.3	0	0	0	0	0	113.7
469	F	29.8	Very low	31.8	Very low	200 Å²	200	118.7 Å²	118.7	88%	0.877	69%	0.69	S	S	*	*			trans	-159.1	124.6	179.1	-98.6	-77.1	0	0	0	118.3
470	D	29.1	Very low	31.2	Very low	122 Å²	122	120.1 Å²	120.1	65%	0.652	69%	0.691	S	S	*	*			trans	58.5	115.7	136.7	-70.9	30.7	0	0	0	130.4
471	N	28.7	Very low	31.4	Very low	121 Å²	121	119.9 Å²	119.9	65%	0.647	70%	0.696	S	S	*	*				70.8	130.6	121.7	-69.7	-47.7	0	0	0	127.1
472	Y	30.5	Very low	31.3	Very low	220 Å²	220	123.7 Å²	123.7	86%	0.863	71%	0.71	S	S	*	*				-176.8	155.6	110.4	-111.5	-85.8	0	0	0	117.1
473	Q	31.9	Very low	31.1	Very low	152 Å²	152	125.8 Å²	125.8	71%	0.71	72%	0.724	S	S	*	*			trans	-105.7	175.9	-154.6	-64.6	165.3	91.4	0	0	115.5
474	T	31.1	Very low	30.7	Very low	103 Å²	103	124.6 Å²	124.6	63%	0.632	73%	0.729	S	S	*	*			cis	-179.8	178.5	-9.8	35.2	0	0	0	0	107.7
475	S	31.4	Very low	30.6	Very low	85 Å²	85	125 Å²	125	59%	0.594	73%	0.727	S	S	*	*			cis	-164.8	-166.2	-11.6	59.3	0	0	0	0	107.7	H2068	S475-H2068 WeakPolarHBondContact CA-NE2 3.28Å; S475-H2068 VanDerWaalsContact CB-NE2 3.35Å; S475-H2068 WeakPolarHBondContact CB-NE2 3.32Å
476	S	32.1	Very low	30.3	Very low	74 Å²	74	126.2 Å²	126.2	52%	0.517	72%	0.723	S	S	.	*			cis	-142.5	-96.4	6.1	30	0	0	0	0	114.7
477	H	30.4	Very low	30.2	Very low	133 Å²	133	130.6 Å²	130.6	62%	0.616	72%	0.723	S	S	*	*			cis	-169	129.9	-4.2	-163.9	79.9	0	0	0	114.9
478	K	29.8	Very low	29.9	Very low	176 Å²	176	129 Å²	129	77%	0.765	71%	0.707	S	S	*	*			trans	59.9	142.1	169.1	-72.9	177.2	-177.8	124.9	0	121
479	S	28.6	Very low	30	Very low	101 Å²	101	136.2 Å²	136.2	71%	0.706	72%	0.717	S	S	*	*			cis	-170.6	128.1	-13.2	52.3	0	0	0	0	115.8
480	L	27.1	Very low	29.9	Very low	149 Å²	149	133.3 Å²	133.3	78%	0.78	71%	0.706	S	S	*	*			trans	35.1	144.2	138.5	-80.8	164.9	0	0	0	123.3	L482	L480-L482 HydrophobicContact CD2-CD1 4.49Å; L480-L482 HydrophobicContact CD2-CG 4.43Å
481	P	34.8	Very low	30	Very low	126 Å²	126	135.3 Å²	135.3	82%	0.818	71%	0.711	S	S	*	*				-149.5	-176.4	68.5	41	-20.3	0	0	0	119.5
482	L	25.6	Very low	29.9	Very low	151 Å²	151	136 Å²	136	79%	0.791	71%	0.71	S	S	*	*			trans	-94.6	-174.1	-177.6	-73.1	151.1	0	0	0	112	L480	L480-L482 HydrophobicContact CD2-CD1 4.49Å; L480-L482 HydrophobicContact CD2-CG 4.43Å
483	P	36.5	Very low	29.8	Very low	107 Å²	107	130.9 Å²	130.9	70%	0.695	71%	0.706	S	S	*	*			cis	-151.7	164.2	15.9	46.3	-25.1	0	0	0	121.9
484	S	26.3	Very low	29.8	Very low	92 Å²	92	126.6 Å²	126.6	64%	0.643	70%	0.703	S	S	*	*			trans	60.5	120.1	133.4	70.9	0	0	0	0	126.9
485	T	29.3	Very low	29.5	Very low	120 Å²	120	130.8 Å²	130.8	74%	0.736	71%	0.709	S	S	*	*				88.9	137.4	121	53.9	0	0	0	0	126.4
486	L	28.4	Very low	29.5	Very low	145 Å²	145	133.2 Å²	133.2	76%	0.759	72%	0.72	S	S	*	*			trans	74.8	151.5	153.1	-63.8	154.8	0	0	0	117.8
487	Q	30	Very low	29.1	Very low	167 Å²	167	133.8 Å²	133.8	78%	0.78	72%	0.724	S	S	*	*			cis	-150.8	169.9	3.1	-145.7	161.2	13.9	0	0	115.2
488	T	26.3	Very low	28.9	Very low	101 Å²	101	134 Å²	134	62%	0.62	74%	0.735	S	S	*	*			trans	-70.6	156.5	-174.9	53.7	0	0	0	0	119.2
489	Y	31.4	Very low	28.6	Very low	216 Å²	216	131.1 Å²	131.1	85%	0.847	74%	0.737	S	S	*	*			trans	-170.4	125.7	136	-100.7	-75.6	0	0	0	107.6
490	Q	28.6	Very low	28.5	Very low	138 Å²	138	129.6 Å²	129.6	65%	0.645	74%	0.737	S	S	*	*			cis	88	97	7.4	-143.4	-163.3	55.4	0	0	119.4
491	Q	31.2	Very low	28.4	Very low	165 Å²	165	127.7 Å²	127.7	77%	0.771	74%	0.736	S	S	*	*			trans	-166.8	130.4	141.7	-110	152	89	0	0	107.5
492	H	26.3	Very low	28	Very low	136 Å²	136	127.5 Å²	127.5	63%	0.63	74%	0.738	S	S	*	*				61.3	130.2	50.2	-59	-60.5	0	0	0	111.4
493	S	28.3	Very low	27.9	Very low	111 Å²	111	123.6 Å²	123.6	78%	0.776	73%	0.734	S	S	*	*			cis	-163.8	-178	23.7	49.2	0	0	0	0	109
494	G	31.6	Very low	27.3	Very low	63 Å²	63	125.9 Å²	125.9	65%	0.649	74%	0.741	S	S	*	*			cis	-159.4	160.5	6.4	0	0	0	0	0	111
495	Y	25	Very low	27.2	Very low	191 Å²	191	132.3 Å²	132.3	75%	0.749	75%	0.751	S	S	*	*				83.4	80.6	58.4	-79.9	-65.2	0	0	0	115.7
496	T	31.5	Very low	26.9	Very low	135 Å²	135	130.9 Å²	130.9	83%	0.828	75%	0.745	S	S	*	*			trans	-136.6	124.2	131.1	44.3	0	0	0	0	105.9
497	S	23.5	Very low	26.7	Very low	87 Å²	87	129.5 Å²	129.5	61%	0.608	74%	0.743	S	S	*	*			cis	84.6	144.5	21.2	95.8	0	0	0	0	115.5
498	T	27.5	Very low	26.5	Very low	136 Å²	136	124.8 Å²	124.8	83%	0.834	74%	0.739	S	S	*	*			trans	70.3	154.7	-170.3	72.7	0	0	0	0	116.5
499	S	23.6	Very low	26.5	Very low	117 Å²	117	125.1 Å²	125.1	82%	0.818	75%	0.745	S	S	*	*				173.2	134.9	-60.6	49	0	0	0	0	109.7
500	G	25.2	Very low	26.5	Very low	68 Å²	68	122 Å²	122	70%	0.701	74%	0.742	S	S	*	*			trans	143.2	105	170.8	0	0	0	0	0	110.8
501	S	25.6	Very low	26.5	Very low	109 Å²	109	121.2 Å²	121.2	76%	0.762	74%	0.742	S	S	*	*				86.7	104.6	56.5	73.9	0	0	0	0	114
502	S	25.1	Very low	26.3	Very low	123 Å²	123	122.9 Å²	122.9	86%	0.86	74%	0.741	S	S	*	*			trans	47.1	104.5	145.6	58.9	0	0	0	0	120
503	G	25.2	Very low	26.3	Very low	68 Å²	68	120.1 Å²	120.1	70%	0.701	74%	0.742	S	S	*	*			trans	158.9	101.4	169	0	0	0	0	0	108.2
504	N	24	Very low	27	Very low	156 Å²	156	118.5 Å²	118.5	83%	0.834	73%	0.729	S	S	*	*			cis	67.2	117.7	31.6	-154.5	-0.7	0	0	0	113
505	R	23.4	Very low	26.9	Very low	227 Å²	227	125.9 Å²	125.9	86%	0.857	74%	0.744	S	S	*	*			trans	70	148.3	-173.3	-61.9	-177.6	177.5	178.4	-1.2	116.4
506	S	22.3	Very low	27	Very low	89 Å²	89	119.9 Å²	119.9	62%	0.622	74%	0.739	S	S	*	*			cis	-172.5	149	-18.7	50.5	0	0	0	0	112.2
507	T	24.1	Very low	26.8	Very low	116 Å²	116	120.8 Å²	120.8	71%	0.712	73%	0.734	S	S	*	*			trans	50.2	131.4	142.9	57.7	0	0	0	0	122.1
508	G	26.7	Very low	27	Very low	68 Å²	68	123.3 Å²	123.3	70%	0.701	74%	0.74	S	S	*	*			trans	151.9	65	168.6	0	0	0	0	0	111.8
509	C	26.5	Very low	26.8	Very low	109 Å²	109	119.8 Å²	119.8	74%	0.736	72%	0.724	S	S	*	*				62.4	131.1	81.6	-55.2	0	0	0	0	111.8
510	L	30.4	Very low	26.9	Very low	150 Å²	150	119.7 Å²	119.7	79%	0.785	72%	0.718	S	S	*	*			cis	-145.6	163.5	41.8	-62.3	161.7	0	0	0	108.9
511	N	29.2	Very low	26.8	Very low	121 Å²	121	120.9 Å²	120.9	65%	0.647	71%	0.708	S	S	*	*			cis	-174.7	162.9	-3.5	-107.5	-3.9	0	0	0	108.5
512	R	26.8	Very low	26.6	Very low	201 Å²	201	119.1 Å²	119.1	76%	0.758	70%	0.696	S	S	*	*			cis	-171.9	146.7	-24.5	-141.3	-171.8	174.4	159.9	2.4	112.5
513	A	26.5	Very low	26.5	Very low	78 Å²	78	116.5 Å²	116.5	65%	0.645	68%	0.678	S	S	*	*			trans	58.1	145.2	140.1	0	0	0	0	0	125
514	P	44.4	Very low	26.5	Very low	76 Å²	76	116.7 Å²	116.7	49%	0.494	67%	0.669	S	S	.	*			trans	-115.6	-167.7	168.7	44.3	-34	0	0	0	114.1	D1026	P514-D1026 VanDerWaalsContact CD-OD2 3.24Å; P514-D1026 WeakPolarHBondContact CD-OD2 3.17Å
515	F	28.6	Very low	26.6	Very low	219 Å²	219	113.5 Å²	113.5	96%	0.961	65%	0.651	S	S	*	*			trans	-176.3	159.7	156.5	-89.3	-63	0	0	0	109.1
516	G	27.2	Very low	26.9	Very low	64 Å²	64	105.7 Å²	105.7	66%	0.66	63%	0.631	S	S	*	*			cis	166.7	136.2	-12.8	0	0	0	0	0	115.1
517	H	26.2	Very low	27.1	Very low	154 Å²	154	108.1 Å²	108.1	71%	0.713	64%	0.637	S	S	*	*			trans	76	159.8	145.3	-97.9	-100.6	0	0	0	127
518	L	28.2	Very low	27.4	Very low	141 Å²	141	105.4 Å²	105.4	74%	0.738	62%	0.618	S	S	*	*			trans	70.1	135.8	175.1	-55.4	175.4	0	0	0	117.1
519	A	24.1	Very low	27.8	Very low	61 Å²	61	108.5 Å²	108.5	50%	0.504	61%	0.612	S	S	.	*			cis	79.6	142.9	32.7	0	0	0	0	0	113.3
520	V	25.9	Very low	28.4	Very low	115 Å²	115	109.5 Å²	109.5	70%	0.697	61%	0.606	S	S	*	*			cis	-139.1	162.5	23.6	166.5	0	0	0	0	113.1	S522	V520-S522 PolarHBondContact O-N 3.4Å
521	L	22.5	Very low	28.6	Very low	93 Å²	93	105.5 Å²	105.5	49%	0.487	59%	0.585	S	S	.	*			trans	-23.4	112.4	166.4	-54.1	167.1	0	0	0	119.1	K1098	L521-K1098 HydrophobicContact CD1-CG 3.9Å; L521-K1098 HydrophobicContact CD2-CG 4.1Å
522	S	21.4	Very low	28.9	Very low	72 Å²	72	108.1 Å²	108.1	50%	0.503	59%	0.593	S	S	.	*				62.9	145.2	123.4	72.2	0	0	0	0	124.5	V520 K1098	V520-S522 PolarHBondContact O-N 3.4Å; S522-K1098 WeakPolarHBondContact OG-CE 3.4Å; S522-K1098 PolarHBondContact OG-NZ 3.35Å
523	S	23	Very low	29.3	Very low	69 Å²	69	103.6 Å²	103.6	48%	0.483	58%	0.581	S	S	.	*			trans	74	93.3	139.1	58.3	0	0	0	0	119.5	N828	S523-N828 PolarHBondContact O-ND2 2.83Å
524	S	24.7	Very low	29.5	Very low	72 Å²	72	105.8 Å²	105.8	50%	0.503	58%	0.578	S	S	.	*				91.9	119.4	110	-62.6	0	0	0	0	118.5
525	N	26.9	Very low	28.7	Very low	88 Å²	88	105.2 Å²	105.2	47%	0.471	58%	0.575	S	S	.	*			trans	86.4	144.9	131.1	-66.7	-7.1	0	0	0	118.7	N826 T827	N525-N826 PolarHBondContact ND2-ND2 3.43Å; N525-N826 PolarHBondContact ND2-OD1 3.07Å; N525-T827 WeakPolarHBondContact CB-OG1 3.47Å; N525-T827 PolarHBondContact ND2-OG1 2.9Å
526	S	28.9	Very low	28.8	Very low	63 Å²	63	101.5 Å²	101.5	44%	0.441	57%	0.565	S	S	.	*			cis	-175.8	144.7	-17.7	51.1	0	0	0	0	111.6
527	L	27.6	Very low	28.7	Very low	140 Å²	140	103.7 Å²	103.7	73%	0.733	57%	0.571	S	S	*	*			trans	61.9	174.2	137.5	-84.2	53.5	0	0	0	116.3
528	N	30.1	Very low	28.9	Very low	60 Å²	60	104.2 Å²	104.2	32%	0.321	58%	0.579	S	S	.	*			cis	-154.9	152	1.2	-118.3	-2.7	0	0	0	107.5	N2566	N528-N2566 HydrophobicContact CB-CB 4.48Å; N528-N2566 WeakPolarHBondContact CB-OD1 3.47Å; N528-N2566 PolarHBondContact ND2-OXT 3.31Å; N528-N2566 PolarHBondContact O-ND2 2.89Å
529	K	34.6	Very low	28.9	Very low	133 Å²	133	102.7 Å²	102.7	58%	0.578	58%	0.58	S	S	*	*				82.8	178.7	61.3	-159.8	-130.2	-80.2	153.4	0	112.6	I531 N2566	K529-I531 HydrophobicContact CD-CD1 3.6Å; K529-I531 HydrophobicContact CD-CG1 3.22Å; K529-I531 HydrophobicContact CG-CG1 4.31Å; K529-I531 VanDerWaalsContact NZ-CD1 3.28Å; K529-N2566 VanDerWaalsContact C-CG 3.48Å; K529-N2566 WeakPolarHBondContact CA-OD1 3.41Å; K529-N2566 WeakPolarHBondContact CB-OD1 3.46Å; K529-N2566 PolarHBondContact O-ND2 3.16Å; K529-N2566 PolarHBondContact O-OD1 2.88Å
530	Q	38.9	Very low	29.2	Very low	130 Å²	130	105.5 Å²	105.5	61%	0.607	59%	0.591	S	S	*	*			trans	163	105.3	161.7	-81.4	-113.7	3.4	0	0	103.6	S2565 N2566	Q530-S2565 WeakPolarHBondContact CG-O 3.14Å; Q530-S2565 PolarHBondContact OE1-O 2.6Å; Q530-N2566 WeakPolarHBondContact CA-OD1 3.43Å; Q530-N2566 HydrophobicContact CG-CB 4.2Å; Q530-N2566 PolarHBondContact N-OD1 3.43Å; Q530-N2566 VanDerWaalsContact N-OD1 3.14Å
531	I	34.2	Very low	29.2	Very low	65 Å²	65	104.8 Å²	104.8	33%	0.333	59%	0.591	S	S	.	*				60.6	129.5	52.6	-35.6	176.5	0	0	0	114.8	K529 S2565	K529-I531 HydrophobicContact CD-CD1 3.6Å; K529-I531 HydrophobicContact CD-CG1 3.22Å; K529-I531 HydrophobicContact CG-CG1 4.31Å; K529-I531 VanDerWaalsContact NZ-CD1 3.28Å; I531-S2565 WeakPolarHBondContact CB-OG 3.47Å; I531-S2565 WeakPolarHBondContact CG2-OG 3.39Å; I531-S2565 PolarHBondContact O-OG 3.17Å; I531-S2565 VanDerWaalsContact O-OG 3.06Å
532	Q	37.1	Very low	29.3	Very low	176 Å²	176	107.2 Å²	107.2	82%	0.822	60%	0.604	S	S	*	*				-135.1	142.5	127.8	-70.3	-165.1	-24.1	0	0	108.3
533	Q	34.4	Very low	29.5	Very low	107 Å²	107	109 Å²	109	50%	0.5	62%	0.615	S	S	.	*			cis	-145.2	-162.1	-17.4	-119.7	-162.3	0.6	0	0	106.9	S2564	Q533-S2564 WeakPolarHBondContact CG-OG 3.41Å; Q533-S2564 PolarHBondContact NE2-O 2.95Å; Q533-S2564 PolarHBondContact NE2-OG 3.45Å
534	Q	31.2	Very low	29.6	Very low	124 Å²	124	111 Å²	111	58%	0.579	63%	0.63	S	S	*	*			cis	-122.7	-153.4	4.5	-82.7	-167.2	-105	0	0	108.6	S2564	Q534-S2564 WeakPolarHBondContact CA-OG 3.3Å; Q534-S2564 PolarHBondContact O-OG 3.05Å
535	S	27.2	Very low	29.8	Very low	64 Å²	64	114.8 Å²	114.8	45%	0.448	64%	0.642	S	S	.	*			cis	66.6	167.3	9.3	95.3	0	0	0	0	116.4
536	D	29.6	Very low	29.5	Very low	140 Å²	140	117.1 Å²	117.1	75%	0.749	66%	0.655	S	S	*	*			cis	-108.2	174	-2.3	-76.5	-26	0	0	0	113.5
537	S	26.2	Very low	29.2	Very low	111 Å²	111	120.4 Å²	120.4	78%	0.776	67%	0.672	S	S	*	*			trans	-150.8	166.2	-155.3	65.1	0	0	0	0	117.6
538	N	31.2	Very low	29.2	Very low	165 Å²	165	119 Å²	119	88%	0.882	67%	0.672	S	S	*	*			trans	-162.6	172.5	165.1	-126.3	-93.2	0	0	0	113.5
539	S	27.1	Very low	29	Very low	108 Å²	108	120.6 Å²	120.6	76%	0.755	68%	0.675	S	S	*	*			trans	-162.4	-134.9	179.9	70.3	0	0	0	0	116.2
540	V	30.1	Very low	28.8	Very low	121 Å²	121	122.3 Å²	122.3	73%	0.733	68%	0.683	S	S	*	*			trans	75.5	101.9	174.5	-174.7	0	0	0	0	119.8
541	S	26.2	Very low	28.2	Very low	100 Å²	100	123.7 Å²	123.7	70%	0.699	69%	0.694	S	S	*	*			trans	44.5	156.5	130.6	100.6	0	0	0	0	122.9
542	N	25.8	Very low	27.9	Very low	144 Å²	144	125.7 Å²	125.7	77%	0.77	71%	0.709	S	S	*	*			cis	-167	161.7	-8	-128.4	-11.7	0	0	0	112.4
543	C	24.2	Very low	27.5	Very low	109 Å²	109	123.5 Å²	123.5	74%	0.736	71%	0.708	S	S	*	*			trans	59.1	116.5	152.7	-65.6	0	0	0	0	124.8
544	S	25.1	Very low	27.1	Very low	112 Å²	112	125.4 Å²	125.4	78%	0.783	72%	0.721	S	S	*	*			trans	39.4	121.5	134.4	-59	0	0	0	0	125.7
545	I	29.1	Very low	26.9	Very low	150 Å²	150	124.1 Å²	124.1	77%	0.769	73%	0.726	S	S	*	*			trans	70.3	122.4	144.9	-58.2	177.2	0	0	0	118.6
546	D	21.5	Very low	27	Very low	138 Å²	138	126.1 Å²	126.1	74%	0.738	74%	0.74	S	S	*	*			trans	47.7	114.4	161.3	-64.9	-14.2	0	0	0	121.1
547	V	22.2	Very low	27	Very low	132 Å²	132	126.8 Å²	126.8	80%	0.8	74%	0.744	S	S	*	*			trans	71	135.7	133.3	176.3	0	0	0	0	117.8
548	P	27	Very low	26.9	Very low	111 Å²	111	129.4 Å²	129.4	72%	0.721	75%	0.746	S	S	*	*			cis	-133.3	-158.6	-18.3	39.1	-19.1	0	0	0	113.7
549	K	26.4	Very low	26.8	Very low	92 Å²	92	129.1 Å²	129.1	40%	0.4	74%	0.743	S	S	.	*			trans	-59.9	150.9	-178	-55.5	-180	-176.4	-172.9	0	116.6	D813 W814	K549-D813 WeakPolarHBondContact CE-OD2 3.33Å; K549-D813 IonicContact NZ-OD2 2.72Å; K549-D813 PolarHBondContact NZ-OD2 3.24Å; K549-W814 HydrophobicContact CG-CH2 4.29Å; K549-W814 HydrophobicContact CG-CZ2 4.15Å
550	K	30.2	Very low	26.7	Very low	170 Å²	170	131.3 Å²	131.3	74%	0.739	75%	0.745	S	S	*	*			trans	34.4	122.2	132.6	-59.8	171.5	175.6	169.2	0	119.3	D813	K550-D813 IonicContact NZ-OD2 3.52Å
551	L	27.4	Very low	26.9	Very low	159 Å²	159	130.7 Å²	130.7	83%	0.832	74%	0.743	S	S	*	*			trans	-149.7	147	150.7	-85.7	109.8	0	0	0	109.9
552	T	27.8	Very low	26.9	Very low	106 Å²	106	131.3 Å²	131.3	65%	0.65	75%	0.747	S	S	*	*			cis	-169.1	147.6	-19.1	15.7	0	0	0	0	109.9
553	T	27.6	Very low	26.9	Very low	131 Å²	131	129.9 Å²	129.9	80%	0.804	75%	0.748	S	S	*	*	S	Bend	trans	-177	118.1	132.5	36.7	0	0	0	0	105
554	N	25.6	Very low	27.1	Very low	146 Å²	146	135.8 Å²	135.8	78%	0.781	76%	0.755	S	S	*	*	S	Bend	cis	-132.4	164.3	14.5	-67.1	-32.9	0	0	0	109.2
555	S	28.2	Very low	27.3	Very low	97 Å²	97	135.5 Å²	135.5	68%	0.678	75%	0.748	S	S	*	*			cis	-163.4	150.7	-9.6	38	0	0	0	0	109.5
556	S	29.5	Very low	27.1	Very low	106 Å²	106	136.6 Å²	136.6	74%	0.741	75%	0.754	S	S	*	*			trans	65.5	89.2	159.2	-53.5	0	0	0	0	119.4
557	N	28.1	Very low	27.4	Very low	154 Å²	154	133.2 Å²	133.2	82%	0.824	75%	0.753	S	S	*	*				46	141.4	118.7	-59.9	-2.1	0	0	0	121.4
558	M	25.2	Very low	28.3	Very low	167 Å²	167	134.3 Å²	134.3	82%	0.823	75%	0.753	S	S	*	*			cis	-172.8	176.3	-14.5	-163.6	171.5	176.8	0	0	108.3
559	I	28.2	Very low	28.4	Very low	159 Å²	159	134 Å²	134	82%	0.815	75%	0.751	S	S	*	*			trans	90.1	136.1	162.5	-57.7	167.8	0	0	0	117.5
560	L	24.9	Very low	28.5	Very low	154 Å²	154	135 Å²	135	81%	0.806	77%	0.765	S	S	*	*			trans	-103.2	168.9	173.1	-79.2	161.1	0	0	0	109.7
561	P	35.4	Very low	28.3	Very low	108 Å²	108	133.4 Å²	133.4	70%	0.701	77%	0.765	S	S	*	*			cis	-133.7	-151	-28.1	39.2	-20.8	0	0	0	110.4
562	S	25.1	Very low	28.1	Very low	112 Å²	112	131.4 Å²	131.4	78%	0.783	76%	0.764	S	S	*	*			trans	103	138.8	164	-44.5	0	0	0	0	115.9
563	C	25.5	Very low	28.1	Very low	115 Å²	115	132.8 Å²	132.8	78%	0.777	77%	0.772	S	S	*	*			trans	-97	176.8	178.4	-51	0	0	0	0	111.3
564	R	29	Very low	28	Very low	233 Å²	233	130.2 Å²	130.2	88%	0.879	76%	0.756	S	S	*	*			trans	75.4	165.4	164.7	-54.6	177.5	177.6	-175.1	-1.8	113.4
565	T	29	Very low	28.1	Very low	105 Å²	105	126.4 Å²	126.4	64%	0.644	74%	0.738	S	S	*	*			cis	-147.7	153	16.4	-30.5	0	0	0	0	112.2
566	L	25.3	Very low	27.9	Very low	173 Å²	173	126 Å²	126	91%	0.906	74%	0.735	S	S	*	*	S	Bend	trans	-63.3	128.8	149	-88.3	166	0	0	0	109
567	G	28.1	Very low	27.8	Very low	68 Å²	68	123.8 Å²	123.8	70%	0.701	72%	0.72	S	S	*	*			trans	61.5	71.6	160.2	0	0	0	0	0	117.1
568	L	40.3	Very low	27.9	Very low	154 Å²	154	119.9 Å²	119.9	81%	0.806	71%	0.705	S	S	*	*			trans	-72.1	137	143.1	-84.4	168.1	0	0	0	108.8
569	P	29.2	Very low	28.3	Very low	105 Å²	105	115.6 Å²	115.6	68%	0.682	68%	0.682	S	S	*	*				-129.6	150.4	122.3	24.9	-10.1	0	0	0	110.3
570	T	27.9	Very low	28.7	Very low	113 Å²	113	113.4 Å²	113.4	69%	0.693	67%	0.671	S	S	*	*			cis	-167.9	167.3	-8	32	0	0	0	0	105.1
571	N	26.5	Very low	29.1	Very low	137 Å²	137	110.4 Å²	110.4	73%	0.733	66%	0.659	S	S	*	*			cis	-167.3	153.7	-25.5	-98.1	-5.6	0	0	0	104.9
572	S	23.6	Very low	29.3	Very low	117 Å²	117	111 Å²	111	82%	0.818	65%	0.651	S	S	*	*			trans	-162.6	89.8	149.1	53.8	0	0	0	0	110.9
573	V	27.6	Very low	29.7	Very low	134 Å²	134	112.3 Å²	112.3	81%	0.812	65%	0.649	S	S	*	*			trans	-81.5	122.5	158.9	172.7	0	0	0	0	107
574	T	26.1	Very low	29.8	Very low	78 Å²	78	111.6 Å²	111.6	48%	0.479	65%	0.645	S	S	.	*	S	Bend	trans	50.2	87.5	170.8	53.7	0	0	0	0	118.3	S1581	T574-S1581 VanDerWaalsContact O-CB 3.32Å; T574-S1581 WeakPolarHBondContact O-CB 3.43Å
575	V	27.2	Very low	29.8	Very low	65 Å²	65	107 Å²	107	39%	0.394	64%	0.638	S	S	.	*				66.7	101.1	105.1	163.5	0	0	0	0	114.8	Y1579 L1580	V575-Y1579 HydrophobicContact CB-CD2 4.34Å; V575-Y1579 HydrophobicContact CB-CG 4.17Å; V575-Y1579 HydrophobicContact CG1-CD2 3.56Å; V575-Y1579 HydrophobicContact CG1-CE2 4.44Å; V575-Y1579 HydrophobicContact CG1-CG 3.59Å; V575-Y1579 HydrophobicContact CG2-CD2 4.2Å; V575-Y1579 HydrophobicContact CG2-CE2 4.35Å; V575-Y1579 HydrophobicContact CG2-CG 4.35Å; V575-L1580 WeakPolarHBondContact CG1-O 3.18Å; V575-L1580 CarbonylContact O-C 3.15Å; V575-L1580 VanDerWaalsContact O-CA 3.28Å; V575-L1580 WeakPolarHBondContact O-CA 3.46Å; V575-L1580 PolarHBondContact O-N 3.21Å
576	S	24.7	Very low	29.8	Very low	89 Å²	89	108 Å²	108	62%	0.622	64%	0.638	S	S	*	*			trans	-150.1	149.2	166.2	-174	0	0	0	0	113.6	Y1579	S576-Y1579 VanDerWaalsContact C-CB 3.47Å; S576-Y1579 VanDerWaalsContact CA-CB 3.47Å; S576-Y1579 WeakPolarHBondContact CA-O 3.4Å; S576-Y1579 VanDerWaalsContact N-CB 3.3Å
577	S	27.9	Very low	30.1	Very low	60 Å²	60	106.3 Å²	106.3	42%	0.42	63%	0.631	S	S	.	*			trans	-141.7	131.2	170.8	55.4	0	0	0	0	108.9	G1578 Y1579	S577-G1578 WeakPolarHBondContact OG-CA 3.24Å; S577-Y1579 PolarHBondContact N-O 3.43Å; S577-Y1579 PolarHBondContact OG-N 3.34Å
578	S	29.5	Very low	30.4	Very low	72 Å²	72	109.1 Å²	109.1	50%	0.503	63%	0.634	S	S	.	*			cis	-150.6	-149.8	4.4	40.1	0	0	0	0	108.5
579	E	33.6	Very low	30	Very low	76 Å²	76	108.9 Å²	108.9	36%	0.355	63%	0.633	S	S	.	*			cis	-165.4	163	7.9	-158.9	31.7	-78.5	0	0	111	F2487 H2488	E579-F2487 VanDerWaalsContact C-CG 3.47Å; E579-H2488 WeakPolarHBondContact OE1-CB 3.42Å; E579-H2488 IonicContact OE1-CG 3.57Å; E579-H2488 IonicContact OE1-ND1 3.5Å; E579-H2488 IonicContact OE2-CE1 3.98Å; E579-H2488 IonicContact OE2-CG 3.63Å; E579-H2488 IonicContact OE2-ND1 2.77Å; E579-H2488 PolarHBondContact OE2-ND1 3.22Å
580	I	36.8	Very low	29.9	Very low	114 Å²	114	113.4 Å²	113.4	59%	0.585	65%	0.645	S	S	*	*			trans	59.7	126.1	170.6	-77.5	166.7	0	0	0	118.2	P2486 F2487	I580-P2486 CarbonylContact C-O 3.26Å; I580-F2487 VanDerWaalsContact CA-CB 3.46Å; I580-F2487 VanDerWaalsContact N-CG 3.32Å
581	T	33.4	Very low	29.8	Very low	90 Å²	90	112.8 Å²	112.8	55%	0.552	65%	0.645	S	S	*	*			cis	-146.9	162.5	2.1	-1.4	0	0	0	0	115.1	P2486 F2487	T581-P2486 CarbonylContact C-O 3.31Å; T581-P2486 WeakPolarHBondContact CA-O 3.13Å; T581-P2486 PolarHBondContact N-O 3.24Å; T581-P2486 CarbonylContact O-C 3.53Å; T581-F2487 CarbonylContact C-O 3.48Å; T581-F2487 WeakPolarHBondContact CA-O 3.31Å; T581-F2487 PolarHBondContact O-N 3.32Å
582	K	38.5	Very low	29.9	Very low	120 Å²	120	109.9 Å²	109.9	52%	0.522	64%	0.64	S	S	.	*			trans	-44	163.3	171.6	-68.8	171.8	-169	164.4	0	117.1	F2487 H2488	K582-F2487 PolarHBondContact N-O 2.89Å; K582-H2488 WeakPolarHBondContact CE-O 3.43Å
583	N	34.4	Very low	30.1	Very low	141 Å²	141	113.3 Å²	113.3	75%	0.754	65%	0.645	S	S	*	*			cis	-179.2	-157.2	-23.8	-160.2	13.3	0	0	0	105.2
584	C	28	Very low	30.1	Very low	100 Å²	100	110.6 Å²	110.6	68%	0.676	64%	0.637	S	S	*	*			cis	-165.4	156.7	-4.5	-168.3	0	0	0	0	108.5
585	N	28.2	Very low	30.1	Very low	137 Å²	137	117.1 Å²	117.1	73%	0.733	66%	0.659	S	S	*	*			trans	-156	136.2	155.3	-141.5	-4.2	0	0	0	114.7
586	N	29.8	Very low	30.3	Very low	124 Å²	124	117.9 Å²	117.9	66%	0.663	67%	0.672	S	S	*	*			trans	56.1	132.3	161.7	-69.3	-19.7	0	0	0	125
587	N	31.5	Very low	30.6	Very low	139 Å²	139	118 Å²	118	74%	0.743	68%	0.679	S	S	*	*			trans	74.2	109.8	144.9	-65.9	-9.7	0	0	0	119.8
588	V	32.7	Very low	31	Very low	127 Å²	127	120.5 Å²	120.5	77%	0.77	69%	0.691	S	S	*	*				75.1	122	85.8	167	0	0	0	0	111.1
589	L	32.6	Very low	31.1	Very low	149 Å²	149	119.2 Å²	119.2	78%	0.78	69%	0.685	S	S	*	*			cis	-149	98.6	41.8	-155	165.5	0	0	0	113.2
590	Q	27.9	Very low	31.1	Very low	199 Å²	199	120.6 Å²	120.6	93%	0.93	70%	0.698	S	S	*	*			trans	-132.6	115.6	154.9	-171.5	175	25.2	0	0	108.1
591	S	25.2	Very low	30.7	Very low	101 Å²	101	118.9 Å²	118.9	71%	0.706	70%	0.701	S	S	*	*			trans	-82.9	150	-175.6	-62	0	0	0	0	112.7
592	A	29.4	Very low	30.5	Very low	76 Å²	76	118 Å²	118	63%	0.628	70%	0.703	S	S	*	*			trans	65.4	113.1	165	0	0	0	0	0	118.3
593	M	26.5	Very low	29.9	Very low	188 Å²	188	114 Å²	114	93%	0.926	69%	0.693	S	S	*	*				-144.3	107.5	106.3	-101.2	155.8	-82.2	0	0	106.8
594	A	28.2	Very low	29.5	Very low	77 Å²	77	110.4 Å²	110.4	64%	0.636	68%	0.682	S	S	*	*				78.1	106.3	50.4	0	0	0	0	0	113.3
595	F	26.5	Very low	29.5	Very low	216 Å²	216	110 Å²	110	95%	0.947	69%	0.686	S	S	*	*			trans	-154.6	149.3	156.7	-92.8	-69.3	0	0	0	107.7
596	A	30.4	Very low	29.3	Very low	81 Å²	81	108.6 Å²	108.6	67%	0.669	69%	0.687	S	S	*	*			cis	-141	145.9	2.4	0	0	0	0	0	113.3
597	A	32.7	Very low	29.1	Very low	92 Å²	92	105.5 Å²	105.5	76%	0.76	68%	0.675	S	S	*	*			trans	66.2	140.7	140.8	0	0	0	0	0	119
598	V	35.8	Very low	28.8	Very low	112 Å²	112	102.5 Å²	102.5	68%	0.679	66%	0.661	S	S	*	*			cis	-120.2	132.5	14.1	162	0	0	0	0	108.9
599	A	31.6	Very low	28.4	Very low	44 Å²	44	102.4 Å²	102.4	36%	0.364	66%	0.661	S	S	.	*			cis	74.8	147	47.2	0	0	0	0	0	116.1	N1554	A599-N1554 VanDerWaalsContact C-CB 3.44Å; A599-N1554 WeakPolarHBondContact CA-OD1 3.25Å; A599-N1554 PolarHBondContact N-ND2 3.4Å; A599-N1554 VanDerWaalsContact N-ND2 3.15Å; A599-N1554 WeakPolarHBondContact O-CB 3.39Å
600	V	34	Very low	28.3	Very low	106 Å²	106	100.7 Å²	100.7	64%	0.642	66%	0.662	S	S	*	*			trans	70.8	166.7	163.9	-161.7	0	0	0	0	115.4	N1554 K1555	V600-N1554 PolarHBondContact N-OD1 2.88Å; V600-N1554 WeakPolarHBondContact O-CB 3.26Å; V600-K1555 CarbonylContact C-O 3.43Å; V600-K1555 WeakPolarHBondContact CA-O 3.12Å; V600-K1555 PolarHBondContact O-N 3.44Å; V600-K1555 VanDerWaalsContact O-N 3.07Å
601	A	28.4	Very low	28.4	Very low	77 Å²	77	95.9 Å²	95.9	64%	0.636	65%	0.651	S	S	*	*				-124.6	153.5	-63.4	0	0	0	0	0	110.1	K1555 D1556	A601-K1555 WeakPolarHBondContact CA-O 3.31Å; A601-D1556 CarbonylContact C-O 3.09Å; A601-D1556 WeakPolarHBondContact CA-O 3.48Å; A601-D1556 WeakPolarHBondContact CB-O 3.49Å
602	A	28.9	Very low	28.7	Very low	73 Å²	73	98.3 Å²	98.3	60%	0.603	65%	0.654	S	S	*	*			trans	-136.9	-78.5	-166.4	0	0	0	0	0	119.2	D1556	A602-D1556 PolarHBondContact N-O 2.98Å
603	A	24.3	Very low	28.6	Very low	36 Å²	36	99.9 Å²	99.9	30%	0.298	66%	0.656	S	S	.	*	S	Bend	trans	-67.5	140.2	-164.8	0	0	0	0	0	112.6	H1557 C1558	A603-H1557 WeakPolarHBondContact CB-CD2 3.43Å; A603-H1557 CarbonylContact O-C 3.52Å; A603-C1558 VanDerWaalsContact O-CA 3.3Å; A603-C1558 WeakPolarHBondContact O-CA 3.47Å; A603-C1558 PolarHBondContact O-N 2.95Å
604	A	26.6	Very low	29	Very low	65 Å²	65	100.3 Å²	100.3	54%	0.537	66%	0.656	S	S	.	*			trans	55.9	129.2	170.6	0	0	0	0	0	117.3
605	A	27.5	Very low	28.8	Very low	90 Å²	90	105.9 Å²	105.9	74%	0.744	66%	0.66	S	S	*	*			cis	-160.5	165.9	5.4	0	0	0	0	0	112.6
606	S	25.8	Very low	29.3	Very low	108 Å²	108	104.2 Å²	104.2	76%	0.755	66%	0.655	S	S	*	*			trans	-118.2	142.3	141.3	49.2	0	0	0	0	106.8
607	S	25.5	Very low	29	Very low	59 Å²	59	105.4 Å²	105.4	41%	0.413	65%	0.651	S	S	.	*			cis	-151.8	157.5	-0.4	46.7	0	0	0	0	108.7
608	T	24.9	Very low	28.8	Very low	76 Å²	76	106.1 Å²	106.1	47%	0.466	65%	0.65	S	S	.	*				-176.9	160.8	76.1	33.3	0	0	0	0	113.3
609	T	24.5	Very low	28.5	Very low	125 Å²	125	106.6 Å²	106.6	77%	0.767	66%	0.658	S	S	*	*			trans	70	141.1	150.6	43.2	0	0	0	0	122.4
610	S	29.2	Very low	28.4	Very low	114 Å²	114	112.7 Å²	112.7	80%	0.797	68%	0.684	S	S	*	*			trans	64.3	129.2	168.4	51.7	0	0	0	0	118.7
611	S	30.4	Very low	28.1	Very low	98 Å²	98	114.7 Å²	114.7	69%	0.685	69%	0.69	S	S	*	*			cis	-169.5	148.2	-7	44.4	0	0	0	0	113.5
612	I	31.7	Very low	27.9	Very low	151 Å²	151	117.3 Å²	117.3	77%	0.774	69%	0.693	S	S	*	*			trans	56.5	92	138.6	-62.9	168.6	0	0	0	115.7
613	T	26.6	Very low	27.9	Very low	109 Å²	109	122.5 Å²	122.5	67%	0.669	70%	0.702	S	S	*	*				74.3	97.2	74.1	66.9	0	0	0	0	117.5
614	E	35.5	Very low	27.9	Very low	198 Å²	198	129.1 Å²	129.1	93%	0.925	73%	0.727	S	S	*	*			trans	-131.6	116.5	135.7	-67.5	-174.8	155.6	0	0	105.4
615	R	25.2	Very low	28	Very low	194 Å²	194	131.2 Å²	131.2	73%	0.732	73%	0.733	S	S	*	*			cis	89.6	95.5	9.5	-161.5	-165.2	-173.6	157.9	7.2	117.1	N617	R615-N617 PolarHBondContact NE-OD1 3.36Å
616	E	35.2	Very low	28	Very low	180 Å²	180	134 Å²	134	84%	0.841	73%	0.734	S	S	*	*			trans	-146.3	112.2	133	-106	166.4	-160.7	0	0	107.4
617	N	25.5	Very low	28.2	Very low	107 Å²	107	135.9 Å²	135.9	57%	0.572	73%	0.731	S	S	*	*				67.7	129.7	81.2	-59.5	-28.1	0	0	0	112.2	R615	R615-N617 PolarHBondContact NE-OD1 3.36Å
618	S	28.3	Very low	28.4	Very low	107 Å²	107	139.2 Å²	139.2	75%	0.748	74%	0.744	S	S	*	*			cis	-169.3	148.6	-5.6	49.8	0	0	0	0	110.4
619	S	29.3	Very low	28.8	Very low	122 Å²	122	140.3 Å²	140.3	85%	0.853	75%	0.751	S	S	*	*	S	Bend	trans	-88.7	141.6	155.9	49.6	0	0	0	0	110.3
620	L	29.1	Very low	29.2	Very low	172 Å²	172	140.9 Å²	140.9	90%	0.901	75%	0.748	S	S	*	*			trans	-43.2	129.2	-161.6	-72.6	159.1	0	0	0	117.8
621	L	27	Very low	29.3	Very low	148 Å²	148	140.9 Å²	140.9	78%	0.775	74%	0.736	S	S	*	*			trans	-0.4	123.9	143.3	-150.5	87.9	0	0	0	118.1
622	N	25.1	Very low	29.2	Very low	132 Å²	132	141.5 Å²	141.5	71%	0.706	72%	0.723	S	S	*	*			trans	37.8	142.8	142.6	-75.8	-58.3	0	0	0	123.2
623	K	27.7	Very low	29	Very low	182 Å²	182	139.1 Å²	139.1	79%	0.791	71%	0.708	S	S	*	*			trans	79.4	96.4	143.8	-79.1	176.7	177.7	-177.8	0	120.1
624	H	24.3	Very low	29.1	Very low	174 Å²	174	138.2 Å²	138.2	81%	0.806	71%	0.706	S	S	*	*				88.5	152.8	108.7	-113.1	-95.6	0	0	0	121.4
625	V	28.8	Very low	28.7	Very low	110 Å²	110	136.9 Å²	136.9	67%	0.667	69%	0.692	S	S	*	*			trans	84.7	112.4	156.9	173.1	0	0	0	0	118.9
626	L	29.4	Very low	28.7	Very low	147 Å²	147	133.3 Å²	133.3	77%	0.77	69%	0.688	S	S	*	*			trans	62.8	143.1	158	-54.3	165.3	0	0	0	117.8
627	E	29.8	Very low	28.4	Very low	149 Å²	149	134 Å²	134	70%	0.696	69%	0.691	S	S	*	*			cis	-154.7	155.4	-4.6	-130.9	179	177.2	0	0	113.6
628	N	29.7	Very low	28.4	Very low	128 Å²	128	131.6 Å²	131.6	68%	0.684	69%	0.691	S	S	*	*			trans	47	128.5	147.7	-69.5	-23.3	0	0	0	121.4
629	T	32	Very low	28.2	Very low	99 Å²	99	132 Å²	132	61%	0.607	69%	0.685	S	S	*	*			cis	-145.6	-114.5	14.4	46.3	0	0	0	0	115.5	R632	T629-R632 PolarHBondContact O-NH1 2.81Å; T629-R632 VanDerWaalsContact O-NH1 3.16Å
630	L	32.2	Very low	27.9	Very low	137 Å²	137	132.4 Å²	132.4	72%	0.717	67%	0.673	S	S	*	*			trans	-153.7	160.6	-133.8	-66.8	-179.7	0	0	0	112
631	H	31.3	Very low	27.8	Very low	114 Å²	114	132.4 Å²	132.4	53%	0.528	67%	0.668	S	S	.	*			cis	-154.5	147.4	-28.1	-138.7	-111.5	0	0	0	109.2	K1533	H631-K1533 PolarHBondContact CE1-O 3.46Å; H631-K1533 PolarHBondContact NE2-O 3.37Å
632	R	29.2	Very low	28.1	Very low	112 Å²	112	133.6 Å²	133.6	42%	0.423	67%	0.669	S	S	.	*			cis	-179	-154	7.9	-36.3	160.5	162.9	157	-10.5	116.4	T629 K1533 E1535	T629-R632 PolarHBondContact O-NH1 2.81Å; T629-R632 VanDerWaalsContact O-NH1 3.16Å; R632-K1533 CarbonylContact C-O 2.94Å; R632-K1533 WeakPolarHBondContact CA-O 3.31Å; R632-K1533 WeakPolarHBondContact CB-O 3.5Å; R632-E1535 VanDerWaalsContact CB-N 3.31Å; R632-E1535 IonicContact CZ-OE1 3.71Å; R632-E1535 IonicContact NE-OE1 2.69Å; R632-E1535 PolarHBondContact NE-OE1 3.49Å; R632-E1535 IonicContact NH2-OE1 3.14Å; R632-E1535 PolarHBondContact NH2-OE1 2.8Å; R632-E1535 CarbonylContact O-C 3.39Å; R632-E1535 WeakPolarHBondContact O-CA 3.23Å; R632-E1535 PolarHBondContact O-N 2.88Å
633	E	28.1	Very low	28.2	Very low	100 Å²	100	132.8 Å²	132.8	47%	0.467	67%	0.671	S	S	.	*			trans	-60.8	161.5	-161.5	-137.6	130.5	-126.7	0	0	120.8	K1533 T1534 E1535	E633-K1533 PolarHBondContact N-O 3.13Å; E633-K1533 WeakPolarHBondContact OE1-CB 3.36Å; E633-K1533 VanDerWaalsContact OE2-CA 3.25Å; E633-K1533 WeakPolarHBondContact OE2-CA 2.86Å; E633-K1533 PolarHBondContact OE2-N 2.91Å; E633-T1534 PolarHBondContact OE1-N 3.03Å; E633-E1535 CarbonylContact C-O 3.56Å
634	C	28.6	Very low	27.9	Very low	90 Å²	90	128.3 Å²	128.3	61%	0.608	66%	0.663	S	S	*	*			cis	-159.5	-164.5	-2.3	-144.6	0	0	0	0	115.3	E1535	C634-E1535 PolarHBondContact N-O 3.4Å
635	R	27.1	Very low	27.9	Very low	170 Å²	170	125.5 Å²	125.5	64%	0.642	66%	0.662	S	S	*	*			trans	-139.5	162.6	-161.6	-157.8	-174.5	166.2	129.9	-9.8	115.9	E1536	R635-E1536 IonicContact CZ-OE2 3.67Å; R635-E1536 IonicContact NH1-OE2 3.97Å; R635-E1536 PolarHBondContact NH1-OE2 3.17Å
636	D	24.6	Very low	27.7	Very low	120 Å²	120	128.5 Å²	128.5	64%	0.642	67%	0.669	S	S	*	*			trans	74.7	157.5	154.8	-75.1	-40.8	0	0	0	123.6
637	H	28.6	Very low	27.5	Very low	194 Å²	194	126.2 Å²	126.2	90%	0.898	66%	0.664	S	S	*	*			trans	76.2	148.2	168.5	-66.3	-69.5	0	0	0	121.5
638	G	25.4	Very low	27.4	Very low	57 Å²	57	127.1 Å²	127.1	59%	0.588	67%	0.669	S	S	*	*			trans	-174.8	-166.2	176.9	0	0	0	0	0	112
639	L	24.6	Very low	27.3	Very low	116 Å²	116	125.1 Å²	125.1	61%	0.607	67%	0.665	S	S	*	*			trans	74.5	141.6	-179.2	-86.6	171.9	0	0	0	119.1
640	H	23.7	Very low	26.9	Very low	130 Å²	130	125.3 Å²	125.3	60%	0.602	67%	0.669	S	S	*	*			trans	85.7	137.2	153.3	-86.8	-63.6	0	0	0	123.4
641	Q	26	Very low	26.4	Very low	172 Å²	172	123.4 Å²	123.4	80%	0.804	67%	0.667	S	S	*	*			trans	88.1	106.3	154.9	-69.5	165.7	35.5	0	0	120
642	H	34.2	Very low	26.1	Very low	173 Å²	173	122.3 Å²	122.3	80%	0.801	67%	0.672	S	S	*	*			trans	-57.5	153.4	147.1	-57.1	-91.7	0	0	0	110
643	P	26.6	Very low	25.8	Very low	115 Å²	115	122.4 Å²	122.4	75%	0.747	69%	0.685	S	S	*	*				-102.7	153.8	72.6	-13.7	33	0	0	0	111.5
644	S	22.4	Very low	25.6	Very low	88 Å²	88	124.5 Å²	124.5	62%	0.615	70%	0.699	S	S	*	*			cis	65	118.1	41.3	84.2	0	0	0	0	114.5
645	S	22.8	Very low	25.4	Very low	114 Å²	114	125.5 Å²	125.5	80%	0.797	70%	0.703	S	S	*	*			trans	61.8	152.8	176.7	58.4	0	0	0	0	115.1
646	E	25.9	Very low	25.3	Very low	173 Å²	173	126.7 Å²	126.7	81%	0.808	72%	0.718	S	S	*	*			cis	-122.3	178.1	14.4	-70.8	176.4	143.7	0	0	113.5
647	C	25.1	Very low	25.7	Very low	99 Å²	99	124.4 Å²	124.4	67%	0.669	72%	0.723	S	S	*	*			trans	15.2	144.1	134.1	-63.9	0	0	0	0	119.1
648	E	27.9	Very low	25.7	Very low	168 Å²	168	121.8 Å²	121.8	79%	0.785	72%	0.715	S	S	*	*			cis	-170.4	165	15.1	-112.3	153.1	-136.4	0	0	106.2
649	S	26.5	Very low	26.1	Very low	87 Å²	87	125 Å²	125	61%	0.608	72%	0.719	S	S	*	*			cis	-175.2	-169.7	-22.4	53.5	0	0	0	0	109.2
650	C	23.2	Very low	26.7	Very low	103 Å²	103	125.7 Å²	125.7	70%	0.696	72%	0.723	S	S	*	*			trans	31	116.1	139	-68.1	0	0	0	0	119.8
651	S	22.9	Very low	26.9	Very low	96 Å²	96	126.2 Å²	126.2	67%	0.671	73%	0.731	S	S	*	*				72.7	98.1	120.6	-56.2	0	0	0	0	117
652	S	24.2	Very low	27.1	Very low	92 Å²	92	124.7 Å²	124.7	64%	0.643	72%	0.721	S	S	*	*				69.5	164.1	69.2	79	0	0	0	0	113.8
653	T	23.4	Very low	27	Very low	113 Å²	113	119.8 Å²	119.8	69%	0.693	70%	0.7	S	S	*	*			trans	58	122.5	152.4	50	0	0	0	0	117.4
654	L	23.5	Very low	27.2	Very low	144 Å²	144	119.2 Å²	119.2	75%	0.754	69%	0.691	S	S	*	*			cis	-167.7	156.6	22.2	-110.5	160.8	0	0	0	110.7
655	T	25.9	Very low	27.6	Very low	112 Å²	112	121.2 Å²	121.2	69%	0.687	69%	0.691	S	S	*	*			trans	9.6	137.4	151	54.5	0	0	0	0	120.9
656	M	24.7	Very low	28	Very low	195 Å²	195	120.6 Å²	120.6	96%	0.961	69%	0.686	S	S	*	*				-174.6	154.2	101.2	-99.4	-177.2	156.8	0	0	111.4
657	G	32.5	Very low	28.5	Very low	72 Å²	72	116.1 Å²	116.1	74%	0.742	67%	0.667	S	S	*	*			trans	119.9	92.7	-170.3	0	0	0	0	0	110.9
658	N	28.6	Very low	28.7	Very low	138 Å²	138	118.8 Å²	118.8	74%	0.738	68%	0.675	S	S	*	*			cis	78.6	132.5	28.2	-156.1	22.3	0	0	0	114.7
659	N	33.2	Very low	28.8	Very low	125 Å²	125	114 Å²	114	67%	0.668	66%	0.66	S	S	*	*			trans	67.9	140.1	170.4	-61.6	-38.3	0	0	0	120.3
660	N	37.8	Very low	28.9	Very low	131 Å²	131	113.8 Å²	113.8	70%	0.701	66%	0.655	S	S	*	*			trans	58.5	95.9	152.7	-60	-26.8	0	0	0	118
661	N	28	Very low	29.1	Very low	141 Å²	141	114.7 Å²	114.7	75%	0.754	64%	0.644	S	S	*	*				66.6	142.1	64.2	-60.9	-52.6	0	0	0	114.4
662	K	29.1	Very low	29.5	Very low	139 Å²	139	115.8 Å²	115.8	60%	0.604	64%	0.643	S	S	*	*			trans	81.5	106	147.6	-98.4	-157.1	168.7	-166.4	0	119.1
663	L	32.7	Very low	29.8	Very low	70 Å²	70	117.8 Å²	117.8	37%	0.366	65%	0.646	S	S	.	*				98.6	135.4	129.9	-56.7	-172.5	0	0	0	120.1	N1484 S1485	L663-N1484 HydrophobicContact CD1-CB 3.97Å; L663-N1484 VanDerWaalsContact CD1-CG 3.49Å; L663-N1484 WeakPolarHBondContact CD1-OD1 3.14Å; L663-S1485 WeakPolarHBondContact CD1-OG 3.35Å; L663-S1485 WeakPolarHBondContact CD2-OG 3.39Å
664	N	31.1	Very low	30.2	Very low	104 Å²	104	118.9 Å²	118.9	56%	0.556	65%	0.647	S	S	*	*			cis	-158.2	163.7	-24.7	-146.8	58.8	0	0	0	114.4
665	E	30.2	Very low	30.5	Very low	129 Å²	129	118.1 Å²	118.1	60%	0.603	65%	0.648	S	S	*	*			trans	-65.6	169	160	-49.9	166.7	115.2	0	0	111.2	I667	E665-I667 HydrophobicContact CB-CD1 4.11Å; E665-I667 HydrophobicContact CB-CG1 4.14Å
666	S	32.5	Very low	31.2	Very low	101 Å²	101	117.9 Å²	117.9	71%	0.706	65%	0.649	S	S	*	*				-178.1	154.6	83.5	-84.4	0	0	0	0	113.5
667	I	35	Very low	31.1	Very low	80 Å²	80	113.4 Å²	113.4	41%	0.41	64%	0.637	S	S	.	*			cis	-167.5	163.3	-28	-129.3	167.1	0	0	0	110.1	E665	E665-I667 HydrophobicContact CB-CD1 4.11Å; E665-I667 HydrophobicContact CB-CG1 4.14Å
668	N	29.3	Very low	30.6	Very low	154 Å²	154	114.8 Å²	114.8	82%	0.824	63%	0.634	S	S	*	*			trans	149.5	76.2	153.9	-80.2	-15.4	0	0	0	108.1
669	S	30	Very low	30.5	Very low	67 Å²	67	117.3 Å²	117.3	47%	0.469	64%	0.638	S	S	.	*			cis	69.8	131.9	40.8	100.6	0	0	0	0	112.9
670	V	28.7	Very low	30.1	Very low	83 Å²	83	119 Å²	119	50%	0.503	64%	0.644	S	S	.	*			cis	-139.3	178.8	9	-117.6	0	0	0	0	108.9
671	Y	27.5	Very low	29.3	Very low	122 Å²	122	119.9 Å²	119.9	48%	0.478	64%	0.642	S	S	.	*			cis	-153.3	172.3	11.5	-123.3	-58.2	0	0	0	109.7	N2545 L2547	Y671-N2545 PolarHBondContact OH-OD1 3.27Å; Y671-L2547 WeakPolarHBondContact OH-CD1 3.17Å; Y671-L2547 PolarHBondContact OH-N 2.79Å
672	N	31.1	Very low	29.7	Very low	120 Å²	120	118.5 Å²	118.5	64%	0.642	64%	0.641	S	S	*	*			trans	49.7	99.6	156.5	-72.4	0.1	0	0	0	121.6
673	N	32.2	Very low	30	Very low	134 Å²	134	117.1 Å²	117.1	72%	0.717	65%	0.646	S	S	*	*				59.6	140.4	106.3	-63.1	1.8	0	0	0	122.3
674	L	31.7	Very low	29.7	Very low	136 Å²	136	119 Å²	119	71%	0.712	66%	0.664	S	S	*	*			cis	-173.8	129.7	-28.2	-121.5	174.8	0	0	0	108.5
675	V	28	Very low	29.4	Very low	128 Å²	128	118.9 Å²	118.9	78%	0.776	67%	0.672	S	S	*	*			trans	59.3	158	145.8	150.7	0	0	0	0	119.9
676	P	41.8	Very low	29.3	Very low	107 Å²	107	116.8 Å²	116.8	70%	0.695	68%	0.677	S	S	*	*			trans	-127.3	-161.6	-163.7	42.1	-24.4	0	0	0	114.2
677	S	23	Very low	29.1	Very low	101 Å²	101	117.8 Å²	117.8	71%	0.706	68%	0.679	S	S	*	*			trans	105.1	143	147.7	85.2	0	0	0	0	119.9
678	C	22	Very low	28.9	Very low	100 Å²	100	120.3 Å²	120.3	68%	0.676	69%	0.692	S	S	*	*			trans	72.6	164	150.5	-61.8	0	0	0	0	121.2
679	F	26	Very low	28.9	Very low	191 Å²	191	122 Å²	122	84%	0.838	69%	0.692	S	S	*	*			trans	64.1	113.1	176.4	-57.6	-79.6	0	0	0	116.4
680	M	24	Very low	28.8	Very low	160 Å²	160	123.4 Å²	123.4	79%	0.788	70%	0.702	S	S	*	*				75.8	105.9	62.3	-75	-78.1	167.3	0	0	114
681	K	22.6	Very low	29	Very low	151 Å²	151	125.6 Å²	125.6	66%	0.657	71%	0.71	S	S	*	*				47.4	148.4	118.1	-93.4	-170.6	176.2	-177.5	0	120	M277	M277-K681 HydrophobicContact CE-CG 4.15Å
682	P	34.5	Very low	29.3	Very low	112 Å²	112	121.3 Å²	121.3	73%	0.727	70%	0.7	S	S	*	*				-122.4	-143.6	-109	45.5	-31.1	0	0	0	109
683	P	37.1	Very low	29.4	Very low	110 Å²	110	119.1 Å²	119.1	71%	0.714	69%	0.691	S	S	*	*			cis	-128.8	-167.1	-21.7	39.7	-22.7	0	0	0	113.1
684	S	25	Very low	29.4	Very low	108 Å²	108	117 Å²	117	76%	0.755	68%	0.682	S	S	*	*			trans	120.8	146.1	140.7	75.6	0	0	0	0	118.8
685	S	25.6	Very low	29.5	Very low	102 Å²	102	115.7 Å²	115.7	71%	0.713	68%	0.68	S	S	*	*			trans	41.2	98.8	157.5	48.3	0	0	0	0	121.6
686	A	28.2	Very low	29.6	Very low	86 Å²	86	115.6 Å²	115.6	71%	0.711	68%	0.675	S	S	*	*				81.1	129.3	104.9	0	0	0	0	0	122.6
687	T	28.2	Very low	29.2	Very low	121 Å²	121	116.2 Å²	116.2	74%	0.742	67%	0.673	S	S	*	*			trans	76.6	115.3	133	48.8	0	0	0	0	123.7
688	I	30.2	Very low	29.7	Very low	133 Å²	133	117.1 Å²	117.1	68%	0.682	67%	0.67	S	S	*	*				95.7	111.9	118.9	-74.1	172.8	0	0	0	121.1
689	K	29.8	Very low	30.3	Very low	190 Å²	190	119.2 Å²	119.2	83%	0.826	67%	0.674	S	S	*	*			trans	64.2	160.3	141.5	-69.4	-179.8	-164.5	177.4	0	119.7
690	S	28	Very low	30.5	Very low	97 Å²	97	114.1 Å²	114.1	68%	0.678	66%	0.663	S	S	*	*			cis	179.6	162.2	-19.9	54.3	0	0	0	0	109.7
691	L	32.8	Very low	30.8	Very low	129 Å²	129	113.2 Å²	113.2	68%	0.675	66%	0.661	S	S	*	*			cis	169	141.5	-20	-172.8	98.1	0	0	0	109.7	S2526 S2527	L691-S2526 WeakPolarHBondContact O-CA 3.26Å; L691-S2527 CarbonylContact C-O 3.37Å; L691-S2527 VanDerWaalsContact C-O 3.31Å; L691-S2527 WeakPolarHBondContact CA-O 3.19Å; L691-S2527 PolarHBondContact N-O 3.02Å; L691-S2527 CarbonylContact O-C 3.51Å; L691-S2527 PolarHBondContact O-N 3.04Å
692	A	32.9	Very low	31.2	Very low	32 Å²	32	111.2 Å²	111.2	26%	0.264	66%	0.661	S	S	.	*			trans	68.3	129.9	163	0	0	0	0	0	117.5	S2526 S2527 T2528	A692-S2526 CarbonylContact O-C 3.07Å; A692-S2526 WeakPolarHBondContact O-CA 3.34Å; A692-S2526 WeakPolarHBondContact O-CB 3.48Å; A692-S2527 CarbonylContact O-C 3.56Å; A692-S2527 VanDerWaalsContact O-C 3.27Å; A692-S2527 VanDerWaalsContact O-CA 3.24Å; A692-S2527 WeakPolarHBondContact O-CA 3.43Å; A692-S2527 PolarHBondContact O-N 2.73Å; A692-S2527 VanDerWaalsContact O-N 3.13Å; A692-T2528 WeakPolarHBondContact CA-OG1 3.24Å; A692-T2528 VanDerWaalsContact N-N 3.15Å; A692-T2528 PolarHBondContact N-OG1 2.72Å; A692-T2528 PolarHBondContact O-N 2.85Å
693	T	33.1	Very low	30.8	Very low	74 Å²	74	112.5 Å²	112.5	45%	0.454	66%	0.662	S	S	.	*			cis	-154.5	-170.6	19.8	48.7	0	0	0	0	112.8
694	T	32.5	Very low	30.7	Very low	88 Å²	88	112.4 Å²	112.4	54%	0.54	66%	0.655	S	S	.	*			trans	71.4	130.1	138.5	49.7	0	0	0	0	122.2	H2529	T694-H2529 PolarHBondContact O-NE2 2.77Å
695	T	33.6	Very low	31	Very low	109 Å²	109	112.7 Å²	112.7	67%	0.669	65%	0.647	S	S	*	*			cis	-162.3	154.8	1.3	5.4	0	0	0	0	114.6
696	D	31	Very low	31.1	Very low	126 Å²	126	111.4 Å²	111.4	67%	0.674	64%	0.638	S	S	*	*			trans	71.8	109.4	138.2	-63.5	-14.6	0	0	0	126.6
697	N	34.2	Very low	31.2	Very low	121 Å²	121	112.3 Å²	112.3	65%	0.647	63%	0.631	S	S	*	*				92.4	111.8	114.8	-70.4	-30.9	0	0	0	125.1
698	N	33	Very low	31.2	Very low	120 Å²	120	111.7 Å²	111.7	64%	0.642	62%	0.623	S	S	*	*				86.5	110.4	123.9	-66.6	-25.3	0	0	0	124.4
699	N	33.5	Very low	31.2	Very low	143 Å²	143	112.8 Å²	112.8	77%	0.765	63%	0.63	S	S	*	*				58.2	149.1	117	-62.4	-22.9	0	0	0	122.6
700	S	32	Very low	31.2	Very low	85 Å²	85	108.5 Å²	108.5	59%	0.594	62%	0.623	S	S	*	*			cis	-174.4	173	-15.9	57.1	0	0	0	0	111.9
701	N	29.4	Very low	31.4	Very low	141 Å²	141	109.2 Å²	109.2	75%	0.754	62%	0.624	S	S	*	*			trans	72.7	154.1	153	-67.9	-17.6	0	0	0	119.3
702	T	30.2	Very low	31.3	Very low	108 Å²	108	108 Å²	108	66%	0.663	62%	0.618	S	S	*	*			cis	-156.7	156.5	-1	1.8	0	0	0	0	114.2
703	N	27.7	Very low	31.1	Very low	140 Å²	140	112.2 Å²	112.2	75%	0.749	64%	0.636	S	S	*	*			trans	33.1	141	144.8	-62.6	-25.9	0	0	0	123.6
704	I	34.6	Very low	31.1	Very low	108 Å²	108	117.4 Å²	117.4	55%	0.554	65%	0.648	S	S	*	*				-177.3	107.4	115.1	-96.9	164.9	0	0	0	115.2	N2349	I704-N2349 WeakPolarHBondContact CG2-ND2 3.13Å
705	L	30.7	Very low	31	Very low	113 Å²	113	119.7 Å²	119.7	59%	0.592	66%	0.656	S	S	*	*				60.2	139.9	124	-92	166.4	0	0	0	124.8	R2348	L705-R2348 HydrophobicContact CB-CG 3.87Å; L705-R2348 HydrophobicContact CD1-CG 4.09Å; L705-R2348 HydrophobicContact CD2-CG 4.38Å; L705-R2348 HydrophobicContact CG-CG 4.34Å
706	S	28.7	Very low	30.9	Very low	75 Å²	75	122.7 Å²	122.7	52%	0.524	66%	0.66	S	S	.	*			trans	-93.7	-157.8	-155	-18	0	0	0	0	124.1	R2348	S706-R2348 PolarHBondContact O-NE 3.43Å; S706-R2348 PolarHBondContact O-NH1 2.78Å; S706-R2348 PolarHBondContact O-NH2 2.78Å
707	N	28.6	Very low	30.7	Very low	105 Å²	105	120.5 Å²	120.5	56%	0.561	65%	0.654	S	S	*	*			trans	74	160.4	140.4	-82	34.4	0	0	0	122.3	Q2347	N707-Q2347 VanDerWaalsContact CB-OE1 3.29Å; N707-Q2347 PolarHBondContact ND2-NE2 3.27Å
708	D	28.6	Very low	30.4	Very low	109 Å²	109	121.7 Å²	121.7	58%	0.583	66%	0.66	S	S	*	*			cis	-156.3	-174.2	13.2	-136.6	-41.6	0	0	0	115.9	Q2347	D708-Q2347 PolarHBondContact OD2-OE1 2.88Å
709	L	30.2	Very low	30.1	Very low	156 Å²	156	122.4 Å²	122.4	82%	0.817	66%	0.664	S	S	*	*			trans	84.7	138.9	168.4	-58.2	167.1	0	0	0	117.9
710	S	29.7	Very low	30	Very low	99 Å²	99	125 Å²	125	69%	0.692	67%	0.669	S	S	*	*			cis	-166.9	161.9	-19.3	62.8	0	0	0	0	108.1
711	T	33.2	Very low	30.1	Very low	112 Å²	112	128.1 Å²	128.1	69%	0.687	68%	0.678	S	S	*	*			cis	-143.4	141.7	16.9	54.7	0	0	0	0	112.5
712	D	29.2	Very low	30.3	Very low	103 Å²	103	127.6 Å²	127.6	55%	0.551	68%	0.682	S	S	*	*			trans	51.3	142.8	130.2	-68.2	13	0	0	0	123.1	R714	D712-R714 IonicContact OD1-CZ 2.7Å; D712-R714 IonicContact OD1-NE 2.63Å; D712-R714 PolarHBondContact OD1-NE 2.92Å; D712-R714 IonicContact OD1-NH2 3.43Å; D712-R714 PolarHBondContact OD1-NH2 2.92Å; D712-R714 IonicContact OD2-NH2 2.81Å
713	N	30	Very low	30.1	Very low	121 Å²	121	127 Å²	127	65%	0.647	68%	0.681	S	S	*	*			cis	-159.8	153.4	-2	-105.1	-24.8	0	0	0	110
714	R	32.4	Very low	29.9	Very low	184 Å²	184	129.8 Å²	129.8	69%	0.694	68%	0.682	S	S	*	*			cis	-170.6	148.7	-41.6	-120.5	-168.6	-90.3	-162.6	-1.9	106	D712	D712-R714 IonicContact OD1-CZ 2.7Å; D712-R714 IonicContact OD1-NE 2.63Å; D712-R714 PolarHBondContact OD1-NE 2.92Å; D712-R714 IonicContact OD1-NH2 3.43Å; D712-R714 PolarHBondContact OD1-NH2 2.92Å; D712-R714 IonicContact OD2-NH2 2.81Å
715	N	30.2	Very low	29.4	Very low	135 Å²	135	130.1 Å²	130.1	72%	0.722	69%	0.685	S	S	*	*			trans	67.5	151.8	-172.4	-62.3	-79.2	0	0	0	114.5
716	K	31.3	Very low	29.2	Very low	173 Å²	173	132.2 Å²	132.2	75%	0.752	70%	0.697	S	S	*	*			cis	-143.5	138	-19.8	-98.4	-121.3	176.2	-175.2	0	106.4
717	S	26.9	Very low	29.1	Very low	79 Å²	79	134.5 Å²	134.5	55%	0.552	70%	0.703	S	S	*	*			cis	73.4	138.8	25	93.6	0	0	0	0	114
718	L	27.7	Very low	29.2	Very low	147 Å²	147	134 Å²	134	77%	0.77	71%	0.713	S	S	*	*			cis	-171	-168.4	-7.8	-123.3	170.4	0	0	0	107.6
719	N	27.8	Very low	29.2	Very low	134 Å²	134	136.7 Å²	136.7	72%	0.717	73%	0.728	S	S	*	*			trans	-36.1	161.8	167	-62.3	-21.1	0	0	0	118.3
720	K	29.9	Very low	29.1	Very low	199 Å²	199	132.8 Å²	132.8	87%	0.865	72%	0.718	S	S	*	*			trans	32.2	121.6	139.2	-66	-172.1	174.8	-173.2	0	119.7
721	L	35	Very low	29.1	Very low	150 Å²	150	134.6 Å²	134.6	79%	0.785	72%	0.72	S	S	*	*			trans	-42.6	150.4	143.3	-75.4	160.1	0	0	0	112.1
722	P	33	Very low	29	Very low	129 Å²	129	135.2 Å²	135.2	84%	0.838	72%	0.719	S	S	*	*				-136.5	-172.9	78.5	38.4	-22.7	0	0	0	115
723	C	25.8	Very low	29.2	Very low	95 Å²	95	135.7 Å²	135.7	64%	0.642	73%	0.726	S	S	*	*			trans	-109.6	162	-157.5	-48	0	0	0	0	114.4
724	Y	24.5	Very low	29.2	Very low	200 Å²	200	135.5 Å²	135.5	78%	0.784	73%	0.733	S	S	*	*	S	Bend		-123.1	149.9	127.3	-99.3	-97.5	0	0	0	106.3
725	N	24.3	Very low	29	Very low	115 Å²	115	134.8 Å²	134.8	62%	0.615	74%	0.739	S	S	*	*			cis	-102.4	141.9	4	-60.6	20.7	0	0	0	111.6	D727	N725-D727 PolarHBondContact ND2-OD2 3.37Å; N725-D727 VanDerWaalsContact ND2-OD2 3.11Å
726	N	25.7	Very low	28.9	Very low	157 Å²	157	135.6 Å²	135.6	84%	0.84	74%	0.744	S	S	*	*				-125.5	124.9	127.4	-94.8	0.5	0	0	0	104.2
727	D	28	Very low	28.9	Very low	122 Å²	122	131 Å²	131	65%	0.652	74%	0.738	S	S	*	*			trans	-104.7	133.6	167.5	-61.8	-59.9	0	0	0	107.3	N725	N725-D727 PolarHBondContact ND2-OD2 3.37Å; N725-D727 VanDerWaalsContact ND2-OD2 3.11Å
728	A	29	Very low	28.9	Very low	94 Å²	94	132.8 Å²	132.8	78%	0.777	75%	0.746	S	S	*	*			trans	-150.3	91.4	179.8	0	0	0	0	0	110.2
729	D	28.9	Very low	29	Very low	167 Å²	167	132.3 Å²	132.3	89%	0.893	74%	0.744	S	S	*	*			trans	-155.7	140.8	167.9	-86.8	-44.5	0	0	0	105.5
730	A	29.1	Very low	29.1	Very low	74 Å²	74	131.5 Å²	131.5	61%	0.612	74%	0.74	S	S	*	*			cis	-153.8	-166.2	-10.3	0	0	0	0	0	108.7
731	N	30.1	Very low	29.2	Very low	137 Å²	137	129.1 Å²	129.1	73%	0.733	73%	0.732	S	S	*	*			trans	72.1	136	174.2	-56.1	68	0	0	0	116
732	D	31.1	Very low	28.9	Very low	124 Å²	124	128.3 Å²	128.3	66%	0.663	73%	0.728	S	S	*	*			cis	-159.1	152.5	-7.1	-107	-26.2	0	0	0	113.4
733	T	32.6	Very low	28.9	Very low	113 Å²	113	128.6 Å²	128.6	69%	0.693	72%	0.722	S	S	*	*			trans	47.2	124.8	149.9	60.6	0	0	0	0	123.9
734	C	29.3	Very low	29.2	Very low	118 Å²	118	132.6 Å²	132.6	80%	0.797	73%	0.731	S	S	*	*			trans	60.8	140.5	131.7	-55.4	0	0	0	0	120.5
735	M	27.8	Very low	29.7	Very low	168 Å²	168	132 Å²	132	83%	0.828	74%	0.735	S	S	*	*			cis	64.7	97.9	35.4	-70.9	-66.6	-159.8	0	0	115.9
736	D	29.2	Very low	30.1	Very low	152 Å²	152	130 Å²	130	81%	0.813	74%	0.741	S	S	*	*				176.9	150.8	106.7	-95.4	-17.1	0	0	0	115.1
737	A	30.3	Very low	30.4	Very low	77 Å²	77	127.5 Å²	127.5	64%	0.636	73%	0.731	S	S	*	*			trans	47.6	104.6	138.4	0	0	0	0	0	120.4
738	T	27.5	Very low	30.4	Very low	116 Å²	116	128.7 Å²	128.7	71%	0.712	74%	0.737	S	S	*	*				75.6	138.1	67.4	65.2	0	0	0	0	116.6
739	N	30.2	Very low	30.5	Very low	138 Å²	138	131.5 Å²	131.5	74%	0.738	73%	0.728	S	S	*	*			trans	73.5	146	162.1	-51.1	-22.3	0	0	0	115.4
740	N	29.9	Very low	30.7	Very low	117 Å²	117	127.9 Å²	127.9	63%	0.626	70%	0.704	S	S	*	*			cis	-156.1	169.9	-10.1	-129	8.8	0	0	0	111.3
741	E	31	Very low	30.9	Very low	148 Å²	148	127.6 Å²	127.6	69%	0.692	69%	0.692	S	S	*	*			trans	30.2	138.6	138.9	-65.2	-176.9	-132.1	0	0	120.9
742	N	29.5	Very low	31	Very low	133 Å²	133	127.3 Å²	127.3	71%	0.711	69%	0.689	S	S	*	*			cis	-168.6	-166.5	9.9	-126.6	-43.7	0	0	0	110.3
743	I	33.3	Very low	31.3	Very low	136 Å²	136	126.5 Å²	126.5	70%	0.697	69%	0.69	S	S	*	*			trans	87.7	87	158	-43.8	-167.4	0	0	0	119
744	Q	30.9	Very low	31.1	Very low	178 Å²	178	125.4 Å²	125.4	83%	0.832	69%	0.687	S	S	*	*			trans	77.8	166.5	133	-63.4	-175.9	11.2	0	0	123.2
745	Q	35.6	Very low	31.1	Very low	188 Å²	188	125.5 Å²	125.5	88%	0.879	68%	0.684	S	S	*	*			trans	79.1	96.8	174.7	-55.7	-157.9	24.6	0	0	117.9
746	G	32.5	Very low	31.5	Very low	72 Å²	72	122.6 Å²	122.6	74%	0.742	68%	0.678	S	S	*	*			trans	-117.8	119.4	158.1	0	0	0	0	0	111.1
747	V	32.3	Very low	31.5	Very low	105 Å²	105	119.2 Å²	119.2	64%	0.636	67%	0.666	S	S	*	*			trans	-140.2	122.9	165.3	-177.5	0	0	0	0	104.4
748	L	28.9	Very low	31.3	Very low	147 Å²	147	123.1 Å²	123.1	77%	0.77	67%	0.671	S	S	*	*	S	Bend	cis	-121.7	121.4	42.9	-68	152.9	0	0	0	115.1
749	R	31.1	Very low	31.4	Very low	153 Å²	153	126.7 Å²	126.7	58%	0.577	68%	0.677	S	S	*	*				43.7	130.7	128.2	-51.1	173.5	176.4	-152.2	-9.7	118.7	S2409	R749-S2409 WeakPolarHBondContact CD-O 3.19Å; R749-S2409 WeakPolarHBondContact CG-O 3.33Å; R749-S2409 VanDerWaalsContact CZ-O 3.28Å; R749-S2409 PolarHBondContact NE-O 3.25Å; R749-S2409 VanDerWaalsContact NE-O 3.12Å
750	K	33.5	Very low	31.4	Very low	91 Å²	91	127.2 Å²	127.2	40%	0.396	68%	0.675	S	S	.	*			cis	-168.6	163.5	-18	-147	-151.7	178.2	-163.1	0	103.9	H2411	K750-H2411 VanDerWaalsContact CD-CD2 3.45Å; K750-H2411 WeakPolarHBondContact CD-CD2 3.18Å; K750-H2411 PolarHBondContact NZ-CD2 3.15Å; K750-H2411 VanDerWaalsContact NZ-CD2 3.27Å; K750-H2411 PolarHBondContact NZ-NE2 3.38Å
751	I	32.3	Very low	31.3	Very low	69 Å²	69	128.9 Å²	128.9	35%	0.354	68%	0.677	S	S	.	*			cis	-148.8	127.8	13.8	-151.1	-95.9	0	0	0	104	L2412	I751-L2412 HydrophobicContact CG2-CD1 4Å
752	I	31.5	Very low	31.1	Very low	131 Å²	131	123.7 Å²	123.7	67%	0.672	66%	0.657	S	S	*	*				63.8	128.9	72.7	-67.3	175.6	0	0	0	112.8
753	P	37.4	Very low	31.1	Very low	107 Å²	107	120.2 Å²	120.2	70%	0.695	64%	0.643	S	S	*	*				-146.9	-146.3	-129.1	44.2	-22	0	0	0	115
754	S	28.7	Very low	31.3	Very low	89 Å²	89	120.5 Å²	120.5	62%	0.622	64%	0.639	S	S	*	*			trans	70.3	112.9	157.7	46.4	0	0	0	0	118.8
755	T	29.1	Very low	31.3	Very low	120 Å²	120	114.4 Å²	114.4	74%	0.736	61%	0.614	S	S	*	*				58.9	146.2	66.1	67.6	0	0	0	0	115.7
756	P	36.4	Very low	30.9	Very low	107 Å²	107	111.7 Å²	111.7	70%	0.695	60%	0.597	S	S	*	*			cis	-140.1	153	-25.8	36	-17.5	0	0	0	116.8
757	S	29.1	Very low	30.8	Very low	81 Å²	81	113.7 Å²	113.7	57%	0.566	59%	0.59	S	S	*	*			trans	32.9	114.2	146.9	65.9	0	0	0	0	122.6
758	H	27.5	Very low	30.7	Very low	159 Å²	159	115.4 Å²	115.4	74%	0.736	59%	0.591	S	S	*	*				-155.4	162.1	129	-134.5	-93.5	0	0	0	111.2
759	F	28.5	Very low	30.9	Very low	191 Å²	191	115.1 Å²	115.1	84%	0.838	59%	0.59	S	S	*	*			trans	77.1	173.1	-179.2	-78.1	-81.7	0	0	0	118.3
760	Q	29.8	Very low	31.2	Very low	149 Å²	149	113 Å²	113	70%	0.696	59%	0.594	S	S	*	*			trans	-161	142.9	-136.4	-130.6	-175.4	14.1	0	0	111
761	F	29	Very low	31.3	Very low	152 Å²	152	115.8 Å²	115.8	67%	0.667	61%	0.609	S	S	*	*			trans	58	118.5	165.7	-61.1	-68.7	0	0	0	117.8
762	S	26.3	Very low	31	Very low	39 Å²	39	118.4 Å²	118.4	27%	0.273	62%	0.623	S	S	.	*				96.5	81.8	63	91.6	0	0	0	0	120.2	R1606 I1608 N1609	S762-R1606 CarbonylContact C-O 2.77Å; S762-R1606 WeakPolarHBondContact CB-O 3.45Å; S762-R1606 PolarHBondContact OG-O 2.93Å; S762-I1608 WeakPolarHBondContact CA-O 3.44Å; S762-I1608 PolarHBondContact N-O 3.35Å; S762-N1609 PolarHBondContact N-O 3.46Å; S762-N1609 VanDerWaalsContact N-O 3.17Å
763	S	29.2	Very low	31.1	Very low	61 Å²	61	118.5 Å²	118.5	43%	0.427	63%	0.625	S	S	.	*				172.3	140.4	122.1	48.9	0	0	0	0	119	Q1603	S763-Q1603 PolarHBondContact OG-OE1 3.14Å
764	K	37.2	Very low	30.9	Very low	141 Å²	141	117.9 Å²	117.9	61%	0.613	62%	0.624	S	S	*	*			trans	151.4	160.5	139.2	-83	174	-171.2	174.1	0	117.3	R1606	K764-R1606 VanDerWaalsContact C-CD 3.4Å; K764-R1606 WeakPolarHBondContact O-CD 3.4Å; K764-R1606 VanDerWaalsContact O-CZ 3.23Å; K764-R1606 PolarHBondContact O-NE 2.88Å; K764-R1606 VanDerWaalsContact O-NE 3.17Å; K764-R1606 PolarHBondContact O-NH1 3.33Å
765	T	31.7	Very low	31	Very low	50 Å²	50	119 Å²	119	31%	0.307	63%	0.632	S	S	.	*			trans	-136.1	110.7	-138	-54.5	0	0	0	0	119.9	L1604 T1605 R1606	T765-L1604 HydrophobicContact CG2-CD2 4.01Å; T765-T1605 VanDerWaalsContact OG1-CB 3.27Å; T765-T1605 WeakPolarHBondContact OG1-CB 2.97Å; T765-T1605 PolarHBondContact OG1-OG1 2.98Å; T765-R1606 VanDerWaalsContact OG1-CD 3.28Å; T765-R1606 WeakPolarHBondContact OG1-CD 3.48Å; T765-R1606 PolarHBondContact OG1-NE 2.88Å
766	Y	26.7	Very low	31	Very low	131 Å²	131	120 Å²	120	51%	0.514	63%	0.632	S	S	.	*			trans	63.6	158	133.9	-134.6	-134.1	0	0	0	123.5
767	N	30.2	Very low	30.8	Very low	114 Å²	114	122.8 Å²	122.8	61%	0.61	63%	0.633	S	S	*	*			trans	74.9	149.2	160.5	-81	-12.3	0	0	0	120.5
768	Q	30.4	Very low	31.4	Very low	141 Å²	141	123.8 Å²	123.8	66%	0.659	64%	0.638	S	S	*	*			cis	-171.6	-179.2	-21.3	-154.3	178.5	89.9	0	0	110.8
769	L	34.2	Very low	31.4	Very low	142 Å²	142	121.8 Å²	121.8	74%	0.743	63%	0.631	S	S	*	*			trans	86.7	143.4	158.1	-63.7	161.7	0	0	0	117
770	T	37	Very low	31.7	Very low	107 Å²	107	118.7 Å²	118.7	66%	0.656	63%	0.628	S	S	*	*			cis	-89	-149	-0.9	52.4	0	0	0	0	111.1
771	Q	34.9	Very low	31.6	Very low	151 Å²	151	116 Å²	116	71%	0.706	63%	0.631	S	S	*	*			cis	-153.7	-178.6	5	-157.5	54	84.6	0	0	111.2
772	N	26.9	Very low	31.7	Very low	124 Å²	124	113.2 Å²	113.2	66%	0.663	63%	0.627	S	S	*	*			trans	-96.4	151.6	-175.7	-73.2	24.9	0	0	0	110.9
773	N	33	Very low	31.8	Very low	133 Å²	133	115.3 Å²	115.3	71%	0.711	64%	0.635	S	S	*	*	S	Bend	cis	-160.5	156.9	-0.4	-106.6	-3.2	0	0	0	108.3
774	S	32.6	Very low	31.7	Very low	94 Å²	94	117.1 Å²	117.1	66%	0.657	64%	0.64	S	S	*	*			cis	-178.8	155.2	-5.8	42	0	0	0	0	108.5
775	S	30.8	Very low	31.2	Very low	113 Å²	113	112.5 Å²	112.5	79%	0.79	63%	0.632	S	S	*	*			cis	-179.7	148.8	-15.9	50.8	0	0	0	0	109.1
776	N	30.4	Very low	31.1	Very low	139 Å²	139	115.5 Å²	115.5	74%	0.743	65%	0.647	S	S	*	*			cis	-168.8	115.3	-18.9	178.7	17.8	0	0	0	110
777	K	31	Very low	31.2	Very low	167 Å²	167	114.7 Å²	114.7	73%	0.726	65%	0.651	S	S	*	*			trans	65.4	179.9	157.7	-88.8	-173.8	170.9	-174.2	0	119.4
778	P	43.2	Very low	31	Very low	102 Å²	102	113.4 Å²	113.4	66%	0.662	65%	0.647	S	S	*	*			trans	-123.4	-143.2	-174	38.9	-19.1	0	0	0	112.1
779	I	27	Very low	30.8	Very low	116 Å²	116	111.5 Å²	111.5	60%	0.595	64%	0.641	S	S	*	*			trans	86.8	148.8	171.3	-58.2	171.4	0	0	0	115.1
780	T	33.6	Very low	30.5	Very low	127 Å²	127	111.5 Å²	111.5	78%	0.779	64%	0.642	S	S	*	*			trans	-57.7	137.9	177.2	45.5	0	0	0	0	113.3
781	A	29	Very low	30.4	Very low	92 Å²	92	110.2 Å²	110.2	76%	0.76	65%	0.65	S	S	*	*			trans	-74.4	172.1	179.6	0	0	0	0	0	112.7
782	V	31.7	Very low	30.4	Very low	94 Å²	94	106.2 Å²	106.2	57%	0.57	65%	0.65	S	S	*	*			cis	-142.5	131.6	17.9	178.2	0	0	0	0	111.1	N784 S1620 T1621	V782-N784 VanDerWaalsContact CG1-O 3.26Å; V782-N784 WeakPolarHBondContact CG1-O 3.03Å; V782-S1620 CarbonylContact C-O 3.41Å; V782-S1620 VanDerWaalsContact C-O 3.26Å; V782-S1620 CarbonylContact O-C 3.58Å; V782-T1621 WeakPolarHBondContact O-CA 3.15Å
783	N	26.4	Very low	30.7	Very low	82 Å²	82	107.2 Å²	107.2	44%	0.439	66%	0.655	S	S	.	*			trans	-113.1	136.3	165.3	-159.8	10.1	0	0	0	109.3	S1620 T1621	N783-S1620 WeakPolarHBondContact CA-O 3.37Å; N783-S1620 WeakPolarHBondContact CB-O 3.24Å; N783-S1620 VanDerWaalsContact CG-OG 3.32Å; N783-S1620 PolarHBondContact N-O 3.43Å; N783-S1620 PolarHBondContact ND2-N 3.41Å; N783-S1620 PolarHBondContact ND2-OG 3.11Å; N783-S1620 PolarHBondContact OD1-OG 3.16Å; N783-T1621 PolarHBondContact OD1-N 3.31Å; N783-T1621 PolarHBondContact OD1-O 3.23Å
784	N	27.8	Very low	30.3	Very low	100 Å²	100	108.7 Å²	108.7	54%	0.535	66%	0.66	S	S	.	*			trans	54.4	-178.3	-173.4	-58.9	-22.2	0	0	0	113.3	V782 T1621 T1622 T1623	V782-N784 VanDerWaalsContact CG1-O 3.26Å; V782-N784 WeakPolarHBondContact CG1-O 3.03Å; N784-T1621 PolarHBondContact N-O 2.98Å; N784-T1622 CarbonylContact C-O 3.19Å; N784-T1622 CarbonylContact O-C 3.06Å; N784-T1622 VanDerWaalsContact O-C 3.24Å; N784-T1623 CarbonylContact C-O 3.22Å; N784-T1623 PolarHBondContact O-N 3.47Å
785	G	27.7	Very low	29.9	Very low	44 Å²	44	108.8 Å²	108.8	45%	0.454	66%	0.66	S	S	.	*			cis	-171.6	121.5	-15.1	0	0	0	0	0	112.6	T1622 T1623	G785-T1622 VanDerWaalsContact CA-O 3.24Å; G785-T1622 WeakPolarHBondContact CA-O 3.07Å; G785-T1622 PolarHBondContact N-O 2.72Å; G785-T1622 VanDerWaalsContact N-O 3.07Å; G785-T1623 CarbonylContact C-O 3.54Å; G785-T1623 VanDerWaalsContact CA-O 3.28Å; G785-T1623 WeakPolarHBondContact CA-O 3.39Å; G785-T1623 PolarHBondContact N-O 3.16Å
786	N	28.2	Very low	29.5	Very low	113 Å²	113	107.8 Å²	107.8	60%	0.604	65%	0.653	S	S	*	*			trans	67.8	157.6	157.9	-74.2	43.3	0	0	0	121.1	T1623	N786-T1623 PolarHBondContact N-O 2.91Å
787	D	29.1	Very low	29.2	Very low	113 Å²	113	105.5 Å²	105.5	60%	0.604	65%	0.648	S	S	*	*			trans	19.7	126.5	139.7	-45	-40.5	0	0	0	123.6	I1624 N1625	D787-I1624 VanDerWaalsContact N-CG2 3.35Å; D787-N1625 CarbonylContact C-O 3.44Å
788	V	26.8	Very low	28.9	Very low	88 Å²	88	105.9 Å²	105.9	53%	0.533	65%	0.65	S	S	.	*				67.1	119.1	120.6	179.2	0	0	0	0	119.6	N1625	V788-N1625 PolarHBondContact N-O 3.39Å
789	N	26	Very low	28.4	Very low	100 Å²	100	107.9 Å²	107.9	54%	0.535	66%	0.661	S	S	.	*			trans	76.2	138.6	154.3	-67.8	-12.7	0	0	0	121.8	E1626	N789-E1626 WeakPolarHBondContact CA-O 3.03Å; N789-E1626 PolarHBondContact N-O 3.13Å; N789-E1626 PolarHBondContact OD1-O 3.42Å
790	N	28.6	Very low	28.5	Very low	142 Å²	142	106 Å²	106	76%	0.759	65%	0.652	S	S	*	*			trans	77.8	139.7	152	-61.8	-20.3	0	0	0	119.7	T1627	N790-T1627 PolarHBondContact N-O 2.94Å
791	G	33.8	Very low	28.4	Very low	80 Å²	80	105.6 Å²	105.6	83%	0.825	65%	0.652	S	S	*	*			trans	62.8	77.3	161.1	0	0	0	0	0	116.2
792	G	36.1	Very low	28.4	Very low	68 Å²	68	108.1 Å²	108.1	70%	0.701	65%	0.651	S	S	*	*			cis	95.7	155.7	16	0	0	0	0	0	112.7
793	N	31.5	Very low	28.4	Very low	145 Å²	145	109 Å²	109	78%	0.775	65%	0.649	S	S	*	*			trans	66.8	123.8	174.1	-72.2	2.4	0	0	0	116.3
794	M	25.9	Very low	28.4	Very low	163 Å²	163	115.3 Å²	115.3	80%	0.803	67%	0.667	S	S	*	*				61.4	94.3	78.8	-67.1	-177.6	179.8	0	0	110
795	S	22.8	Very low	29	Very low	96 Å²	96	115.3 Å²	115.3	67%	0.671	67%	0.672	S	S	*	*				85.8	157.9	71.8	71	0	0	0	0	112.9
796	S	23	Very low	28.9	Very low	92 Å²	92	121.4 Å²	121.4	64%	0.643	69%	0.687	S	S	*	*			trans	53.4	96.6	155.9	53.3	0	0	0	0	118
797	S	24.1	Very low	28.8	Very low	92 Å²	92	123.4 Å²	123.4	64%	0.643	69%	0.692	S	S	*	*			trans	67	155.4	132.1	63.6	0	0	0	0	118.4
798	F	24.8	Very low	28.6	Very low	175 Å²	175	121.7 Å²	121.7	77%	0.768	69%	0.689	S	S	*	*			cis	-121.3	163.5	4.8	-78.1	-93.6	0	0	0	108.1
799	T	31.9	Very low	28.7	Very low	143 Å²	143	124.6 Å²	124.6	88%	0.877	70%	0.7	S	S	*	*			cis	-133.5	152.3	47.4	42.2	0	0	0	0	115.4
800	N	29.4	Very low	28.9	Very low	78 Å²	78	125.3 Å²	125.3	42%	0.417	71%	0.71	S	S	.	*			trans	-113.9	173.6	-175.7	-129.3	-10.8	0	0	0	108	L802 H803	N800-L802 WeakPolarHBondContact OD1-CA 3.44Å; N800-H803 WeakPolarHBondContact ND2-CB 3.32Å
801	P	32	Very low	29.2	Very low	118 Å²	118	124.5 Å²	124.5	77%	0.766	71%	0.711	S	S	*	*	S	Bend	cis	-128.6	158.2	39.8	30	-10.5	0	0	0	115.4
802	L	29.8	Very low	29.1	Very low	144 Å²	144	125.5 Å²	125.5	75%	0.754	70%	0.703	S	S	*	*			cis	-158.4	113.7	-13.2	-100.5	158	0	0	0	103.7	N800	N800-L802 WeakPolarHBondContact OD1-CA 3.44Å
803	H	30	Very low	28.6	Very low	114 Å²	114	125.6 Å²	125.6	53%	0.528	69%	0.687	S	S	.	*				44.5	104.7	69.9	-111.4	-114.2	0	0	0	113.6	N800	N800-H803 WeakPolarHBondContact ND2-CB 3.32Å
804	W	27.4	Very low	28.4	Very low	214 Å²	214	128.4 Å²	128.4	81%	0.811	69%	0.687	S	S	*	*				79.6	167.8	69.9	-79.1	38.4	0	0	0	112.9
805	P	40	Very low	28.4	Very low	99 Å²	99	125.6 Å²	125.6	64%	0.643	68%	0.683	S	S	*	*			cis	-112.6	-131.9	-7.4	22.3	3	0	0	0	109.2
806	F	25.8	Very low	28.4	Very low	173 Å²	173	129.8 Å²	129.8	76%	0.759	69%	0.692	S	S	*	*			cis	-163.6	178.8	-1.5	-153.6	29.6	0	0	0	109.9
807	E	25.7	Very low	28.8	Very low	154 Å²	154	130.3 Å²	130.3	72%	0.72	69%	0.691	S	S	*	*				-131.8	-168.9	-108.7	-112	-53.4	135.2	0	0	111.3
808	S	24.8	Very low	28.8	Very low	77 Å²	77	136.2 Å²	136.2	54%	0.538	70%	0.7	S	S	.	*			trans	-140.1	171.2	-150.7	70.2	0	0	0	0	115.9
809	I	29.4	Very low	28.8	Very low	149 Å²	149	134.3 Å²	134.3	76%	0.764	69%	0.691	S	S	*	*			trans	75.3	143.5	161.4	-66.9	166	0	0	0	115.3
810	P	29.3	Very low	28.4	Very low	115 Å²	115	132.8 Å²	132.8	75%	0.747	68%	0.678	S	S	*	*			cis	-110.2	130.8	7.2	31	-16.1	0	0	0	115.6
811	T	36.1	Very low	28.2	Very low	126 Å²	126	135 Å²	135	77%	0.773	69%	0.69	S	S	*	*			trans	-86.8	170.4	130.6	58.7	0	0	0	0	107.9
812	P	30.4	Very low	27.9	Very low	101 Å²	101	135.3 Å²	135.3	66%	0.656	69%	0.685	S	S	*	*				-140	149.8	100.5	37	-26	0	0	0	115.3
813	D	25.6	Very low	27.9	Very low	69 Å²	69	134.3 Å²	134.3	37%	0.369	68%	0.68	S	S	.	*	S	Bend	trans	72.5	124.1	155.4	-59.4	-21.7	0	0	0	118.3	K549 K550	K549-D813 WeakPolarHBondContact CE-OD2 3.33Å; K549-D813 IonicContact NZ-OD2 2.72Å; K549-D813 PolarHBondContact NZ-OD2 3.24Å; K550-D813 IonicContact NZ-OD2 3.52Å
814	W	28.1	Very low	28	Very low	204 Å²	204	134.8 Å²	134.8	77%	0.773	69%	0.687	S	S	*	*			cis	-138.8	152.1	7.8	-93.8	-21.9	0	0	0	115.2	K549	K549-W814 HydrophobicContact CG-CH2 4.29Å; K549-W814 HydrophobicContact CG-CZ2 4.15Å
815	S	25.6	Very low	28.2	Very low	104 Å²	104	129.8 Å²	129.8	73%	0.727	68%	0.676	S	S	*	*			trans	-118.8	148.6	175.8	50.8	0	0	0	0	110.3
816	H	23.2	Very low	27.6	Very low	184 Å²	184	128.9 Å²	128.9	85%	0.852	67%	0.665	S	S	*	*	S	Bend	trans	-68.7	132.3	143.2	-85.8	-76.8	0	0	0	106.6
817	T	30.8	Very low	27.7	Very low	103 Å²	103	124.4 Å²	124.4	63%	0.632	65%	0.652	S	S	*	*			cis	-161.3	165.9	6.5	32.3	0	0	0	0	107.7
818	W	24.7	Very low	27.7	Very low	217 Å²	217	121.5 Å²	121.5	82%	0.822	64%	0.642	S	S	*	*			trans	-167.3	159.8	144	-94.4	1.1	0	0	0	109
819	F	25.3	Very low	27.8	Very low	135 Å²	135	121.8 Å²	121.8	59%	0.592	64%	0.644	S	S	*	*			cis	-150.2	161.9	10	-132.1	-20.2	0	0	0	114.2
820	N	23.5	Very low	27.7	Very low	110 Å²	110	120.8 Å²	120.8	59%	0.588	65%	0.645	S	S	*	*			trans	4	146.1	142.4	-75.4	7.2	0	0	0	122.3
821	N	24.2	Very low	27.5	Very low	125 Å²	125	121.4 Å²	121.4	67%	0.668	64%	0.641	S	S	*	*			trans	59.4	143.1	130.7	-55.8	3.1	0	0	0	119.9
822	N	26.6	Very low	27	Very low	124 Å²	124	124.2 Å²	124.2	66%	0.663	64%	0.637	S	S	*	*			cis	-148.4	152.2	5.4	-124	-6.9	0	0	0	111.8
823	N	30.1	Very low	26.7	Very low	123 Å²	123	127.1 Å²	127.1	66%	0.658	64%	0.64	S	S	*	*			trans	12.4	133.3	130.4	-65	0.9	0	0	0	116.8
824	N	31.6	Very low	26.6	Very low	124 Å²	124	131 Å²	131	66%	0.663	66%	0.655	S	S	*	*			cis	-166.7	167.7	22.1	-103.1	-16	0	0	0	109.4
825	N	30.7	Very low	26.4	Very low	110 Å²	110	127.5 Å²	127.5	59%	0.588	65%	0.651	S	S	*	*			cis	-155.2	156.4	5.7	-131.1	-28.8	0	0	0	113.6
826	N	28.2	Very low	26.4	Very low	79 Å²	79	129.3 Å²	129.3	42%	0.422	65%	0.653	S	S	.	*			trans	49.6	110.8	144.6	-72.2	-31	0	0	0	123.4	N525	N525-N826 PolarHBondContact ND2-ND2 3.43Å; N525-N826 PolarHBondContact ND2-OD1 3.07Å
827	T	27.1	Very low	26.9	Very low	79 Å²	79	125.2 Å²	125.2	49%	0.485	64%	0.643	S	S	.	*				37.3	142.7	114.2	67.3	0	0	0	0	120.6	N525	N525-T827 WeakPolarHBondContact CB-OG1 3.47Å; N525-T827 PolarHBondContact ND2-OG1 2.9Å
828	N	26.7	Very low	26.6	Very low	93 Å²	93	125.1 Å²	125.1	50%	0.497	64%	0.638	S	S	.	*			cis	-160.4	146	30.4	-139	-6.3	0	0	0	115.3	S523	S523-N828 PolarHBondContact O-ND2 2.83Å
829	S	26.5	Very low	26.9	Very low	83 Å²	83	118.7 Å²	118.7	58%	0.58	62%	0.617	S	S	*	*			trans	19.1	114.8	154.7	61.9	0	0	0	0	122.2
830	T	27.2	Very low	27.1	Very low	129 Å²	129	118 Å²	118	79%	0.791	62%	0.624	S	S	*	*				-152.4	126.6	104.9	24	0	0	0	0	107.4
831	I	25.9	Very low	27.4	Very low	127 Å²	127	116.8 Å²	116.8	65%	0.651	62%	0.617	S	S	*	*				62.1	115.8	69.9	-63.9	176.1	0	0	0	110.3
832	R	24.8	Very low	27.6	Very low	186 Å²	186	119.2 Å²	119.2	70%	0.702	62%	0.617	S	S	*	*			cis	-168.2	173.3	3.5	-121.5	-176.5	-163.2	155	0.3	109.7
833	F	23.7	Very low	27.6	Very low	162 Å²	162	121.9 Å²	121.9	71%	0.711	62%	0.618	S	S	*	*			trans	70	144.6	160.9	-58.4	-54.7	0	0	0	116.8
834	Q	24.7	Very low	27.4	Very low	149 Å²	149	123.2 Å²	123.2	70%	0.696	63%	0.625	S	S	*	*			cis	-159.8	151.5	-29.7	-140.6	173.3	-24.2	0	0	109.3
835	L	23.3	Very low	27.4	Very low	132 Å²	132	120.5 Å²	120.5	69%	0.691	63%	0.626	S	S	*	*			trans	30.8	117.4	151.9	-69.8	163.9	0	0	0	120.3
836	N	24.7	Very low	27.2	Very low	141 Å²	141	126.6 Å²	126.6	75%	0.754	64%	0.641	S	S	*	*				42.6	155.3	105.4	-67.7	24.3	0	0	0	121.1
837	P	34.3	Very low	27.1	Very low	99 Å²	99	128.4 Å²	128.4	64%	0.643	65%	0.654	S	S	*	*			cis	-142.8	172.3	-20.4	36.7	-17	0	0	0	116.4
838	N	25.3	Very low	27.2	Very low	100 Å²	100	130.8 Å²	130.8	54%	0.535	66%	0.658	S	S	.	*			trans	57.3	164.4	142.5	-65.4	22.5	0	0	0	121.6	N275	N275-N838 PolarHBondContact N-O 3.45Å
839	E	30.3	Very low	27.3	Very low	82 Å²	82	130.3 Å²	130.3	38%	0.383	66%	0.655	S	S	.	*			cis	-131.7	-143.3	-4.1	-154.3	140	-66	0	0	111	D274 N275	D274-E839 WeakPolarHBondContact OD1-CB 3.43Å; N275-E839 PolarHBondContact OD1-O 3.31Å
840	T	28.7	Very low	27.6	Very low	121 Å²	121	130.6 Å²	130.6	74%	0.742	65%	0.647	S	S	*	*			trans	-153.4	-77.2	176.7	46.6	0	0	0	0	112.6
841	I	29.9	Very low	27.7	Very low	84 Å²	84	129.8 Å²	129.8	43%	0.431	63%	0.634	S	S	.	*			trans	68.1	133.6	162.3	-119.7	177.3	0	0	0	120.6
842	R	28.5	Very low	28	Very low	177 Å²	177	130.3 Å²	130.3	67%	0.668	64%	0.637	S	S	*	*			trans	77.6	143	153.5	-71.2	171.2	-156.5	-162.8	5.3	120.5
843	R	27.7	Very low	28	Very low	179 Å²	179	127.6 Å²	127.6	68%	0.675	64%	0.636	S	S	*	*			cis	-173.6	167.1	-19.8	-128.6	-178.9	-152.3	156.5	1.9	113
844	N	26.3	Very low	28.3	Very low	151 Å²	151	126.2 Å²	126.2	81%	0.807	64%	0.636	S	S	*	*			trans	71.7	157.6	157.9	-54.9	-16.7	0	0	0	117.4
845	G	30.2	Very low	28.3	Very low	67 Å²	67	125.7 Å²	125.7	69%	0.691	64%	0.637	S	S	*	*			cis	-150.8	167.6	-3.2	0	0	0	0	0	111.5
846	R	26.5	Very low	28.4	Very low	238 Å²	238	123.6 Å²	123.6	90%	0.898	63%	0.634	S	S	*	*			cis	76.3	147.1	49.9	-125.6	-172.7	178.4	-148	1.2	112.4
847	V	27.1	Very low	28.4	Very low	117 Å²	117	121 Å²	121	71%	0.709	62%	0.623	S	S	*	*			cis	-122.6	-115.2	14.7	-158.8	0	0	0	0	114
848	K	29.4	Very low	28	Very low	129 Å²	129	119.2 Å²	119.2	56%	0.561	61%	0.611	S	S	*	*			cis	-133.7	-94.7	-0.3	-139.8	166.8	-171.3	-166.3	0	113.6	E2504 P2505	K848-E2504 PolarHBondContact NZ-O 3.14Å; K848-P2505 WeakPolarHBondContact CD-O 3.19Å; K848-P2505 WeakPolarHBondContact CE-O 3.39Å; K848-P2505 PolarHBondContact NZ-O 2.65Å
849	I	28.1	Very low	28	Very low	83 Å²	83	119.3 Å²	119.3	43%	0.426	61%	0.611	S	S	.	*			trans	-144.3	160.7	179.2	-13.9	176.9	0	0	0	112.9	Q851 T2506 F2507 T2508	I849-Q851 HydrophobicContact CG2-CG 4.45Å; I849-T2506 HydrophobicContact CD1-CG2 4.12Å; I849-F2507 CarbonylContact O-C 2.92Å; I849-T2508 PolarHBondContact O-N 2.76Å; I849-T2508 VanDerWaalsContact O-N 3.15Å
850	E	33.3	Very low	27.8	Very low	90 Å²	90	118.8 Å²	118.8	42%	0.421	62%	0.616	S	S	.	*				-140.4	120	82.3	-77.5	-84.5	67.5	0	0	112.1	F2507 T2508	E850-F2507 VanDerWaalsContact CD-CD2 3.46Å; E850-F2507 HydrophobicContact CG-CD2 4.41Å; E850-F2507 WeakPolarHBondContact OE1-CD2 3.41Å; E850-F2507 WeakPolarHBondContact OE1-CE2 3.11Å; E850-T2508 HydrophobicContact CG-CG2 3.68Å; E850-T2508 WeakPolarHBondContact OE2-CG2 2.92Å
851	Q	29.6	Very low	27.7	Very low	111 Å²	111	118.9 Å²	118.9	52%	0.519	61%	0.606	S	S	.	*				73.2	131	93.1	-80.3	-157.7	11.4	0	0	114.6	I849	I849-Q851 HydrophobicContact CG2-CG 4.45Å
852	I	30.6	Very low	27.5	Very low	139 Å²	139	117.9 Å²	117.9	71%	0.713	61%	0.606	S	S	*	*			cis	-128.8	125.4	7	-60.2	-179.6	0	0	0	106.7
853	D	25.1	Very low	27.5	Very low	129 Å²	129	114 Å²	114	69%	0.69	60%	0.596	S	S	*	*				63.3	140.6	80.7	-95.4	-26	0	0	0	113.6
854	L	29.8	Very low	27.3	Very low	133 Å²	133	112.6 Å²	112.6	70%	0.696	60%	0.599	S	S	*	*			cis	-147.5	155.3	24.4	-65.1	166.7	0	0	0	113.5
855	N	25.2	Very low	27.4	Very low	137 Å²	137	111.7 Å²	111.7	73%	0.733	60%	0.604	S	S	*	*			trans	52.2	151.5	132.2	-63.7	-17.5	0	0	0	123.6
856	S	26.2	Very low	27.3	Very low	88 Å²	88	116.4 Å²	116.4	62%	0.615	61%	0.608	S	S	*	*			cis	-171.2	145.5	-8.9	48.1	0	0	0	0	114
857	T	25	Very low	27.2	Very low	87 Å²	87	111.3 Å²	111.3	53%	0.534	60%	0.598	S	S	.	*			trans	43.4	162.6	140.2	61.2	0	0	0	0	124.2	L1576 P1577	T857-L1576 CarbonylContact O-C 3.33Å; T857-P1577 WeakPolarHBondContact O-CA 3.37Å; T857-P1577 VanDerWaalsContact O-CB 3.23Å; T857-P1577 WeakPolarHBondContact O-CB 3.34Å
858	V	25.4	Very low	27.3	Very low	62 Å²	62	113.5 Å²	113.5	38%	0.376	61%	0.605	S	S	.	*			cis	-153.4	-100.6	-25.7	146.3	0	0	0	0	112.2	K1574	V858-K1574 HydrophobicContact CG1-CB 3.89Å; V858-K1574 HydrophobicContact CG1-CG 4.06Å
859	L	25.5	Very low	27.3	Very low	102 Å²	102	112.9 Å²	112.9	53%	0.534	61%	0.606	S	S	.	*			trans	-158.9	140.5	-156.1	-71.5	164.6	0	0	0	114.7	L1576	L859-L1576 VanDerWaalsContact C-CD2 3.49Å; L859-L1576 VanDerWaalsContact N-N 3.11Å
860	S	25.1	Very low	27.5	Very low	71 Å²	71	114.9 Å²	114.9	50%	0.497	62%	0.618	S	S	.	*			trans	55.1	164	151.7	70.5	0	0	0	0	119.4	L1576	S860-L1576 VanDerWaalsContact N-CD2 3.32Å; S860-L1576 WeakPolarHBondContact O-CD1 3.32Å; S860-L1576 WeakPolarHBondContact O-CG 3.41Å
861	K	28.1	Very low	27.2	Very low	123 Å²	123	118.6 Å²	118.6	54%	0.535	64%	0.635	S	S	.	*			cis	-173.7	136.3	30.1	-163.3	-149	174.7	-160	0	112.7	S2490 N2491	K861-S2490 CarbonylContact O-C 3.24Å; K861-S2490 WeakPolarHBondContact O-CA 3.3Å; K861-S2490 VanDerWaalsContact O-CB 3.3Å; K861-S2490 WeakPolarHBondContact O-CB 3.1Å; K861-N2491 PolarHBondContact O-N 3.03Å
862	S	25.5	Very low	27.3	Very low	62 Å²	62	120.6 Å²	120.6	43%	0.434	65%	0.65	S	S	.	*			trans	8.3	131.6	158.6	62.6	0	0	0	0	124.2	S2490 N2491	S862-S2490 VanDerWaalsContact C-CA 3.48Å; S862-S2490 CarbonylContact O-C 3.07Å; S862-N2491 PolarHBondContact O-N 2.94Å
863	E	27.9	Very low	27.2	Very low	96 Å²	96	117.8 Å²	117.8	45%	0.449	64%	0.642	S	S	.	*			trans	174.7	122.9	140.8	-98.7	149.6	-153.7	0	0	105.9	S2489 S2490 N2491	E863-S2489 CarbonylContact O-C 3.58Å; E863-S2489 VanDerWaalsContact O-O 3.12Å; E863-S2490 PolarHBondContact O-N 3.39Å; E863-S2490 VanDerWaalsContact O-N 3.09Å; E863-N2491 WeakPolarHBondContact OE2-CA 3.36Å; E863-N2491 WeakPolarHBondContact OE2-CB 3.35Å
864	M	24	Very low	27	Very low	150 Å²	150	119.1 Å²	119.1	74%	0.739	65%	0.65	S	S	*	*			cis	73.9	85.7	49.4	-63.7	-139.2	-60.7	0	0	113.7
865	S	28.1	Very low	26.8	Very low	131 Å²	131	119.6 Å²	119.6	92%	0.916	65%	0.653	S	S	*	*			trans	-69.9	126.4	159	-50.5	0	0	0	0	109.6
866	E	27.1	Very low	26.7	Very low	167 Å²	167	119.2 Å²	119.2	78%	0.78	65%	0.651	S	S	*	*			trans	-86.9	168	177.7	-122.6	-175.6	164.9	0	0	112.2
867	L	25.2	Very low	26.8	Very low	130 Å²	130	122.2 Å²	122.2	68%	0.681	66%	0.655	S	S	*	*			trans	54.7	93.7	148.7	-61.8	166.2	0	0	0	119.4
868	L	28.3	Very low	26.9	Very low	164 Å²	164	126.5 Å²	126.5	86%	0.859	67%	0.668	S	S	*	*				-113.5	108.8	110.7	-73.3	177.4	0	0	0	106.4
869	I	31	Very low	27.2	Very low	115 Å²	115	131.9 Å²	131.9	59%	0.59	69%	0.689	S	S	*	*				81.7	115.3	79.8	-77.5	-175.9	0	0	0	112.1
870	N	31.3	Very low	27.2	Very low	126 Å²	126	133.6 Å²	133.6	67%	0.674	70%	0.698	S	S	*	*			trans	53	108.2	158.7	-55.9	8.4	0	0	0	117.2
871	E	27.4	Very low	27.3	Very low	167 Å²	167	139.1 Å²	139.1	78%	0.78	71%	0.713	S	S	*	*				58.7	88.8	59.9	-52.8	-172.6	172	0	0	113.5
872	N	32	Very low	27.5	Very low	154 Å²	154	136.4 Å²	136.4	82%	0.824	72%	0.72	S	S	*	*			trans	-138	72.3	145.5	-84.4	-61.4	0	0	0	105.6
873	S	27.2	Very low	27.7	Very low	79 Å²	79	142.9 Å²	142.9	55%	0.552	74%	0.74	S	S	*	*				67.1	111.5	67.5	92.1	0	0	0	0	111
874	N	22.9	Very low	27.8	Very low	158 Å²	158	140.3 Å²	140.3	85%	0.845	74%	0.74	S	S	*	*	S	Bend	trans	-78.7	138.8	169.7	-96.4	-9	0	0	0	108.8
875	N	25.6	Very low	28	Very low	142 Å²	142	136.8 Å²	136.8	76%	0.759	72%	0.724	S	S	*	*			trans	68.3	75.2	171.4	-52.9	-9.6	0	0	0	115	H877	N875-H877 PolarHBondContact O-N 3.24Å
876	N	22.9	Very low	28.1	Very low	129 Å²	129	134.3 Å²	134.3	69%	0.69	70%	0.701	S	S	*	*			trans	-69.5	113.2	153.9	-146.7	7.8	0	0	0	109
877	H	26.8	Very low	28.1	Very low	151 Å²	151	132.5 Å²	132.5	70%	0.699	70%	0.696	S	S	*	*	S	Bend	trans	68.4	138	170.3	-60.9	-72.5	0	0	0	120.9	N875	N875-H877 PolarHBondContact O-N 3.24Å
878	H	27.8	Very low	28.2	Very low	178 Å²	178	133.9 Å²	133.9	82%	0.824	70%	0.703	S	S	*	*			trans	67.7	143	171.2	-72.5	-79.6	0	0	0	119.1
879	H	32.5	Very low	28.1	Very low	175 Å²	175	131.7 Å²	131.7	81%	0.81	70%	0.7	S	S	*	*			trans	-63.3	176.9	177.6	-66.1	-93.8	0	0	0	113.3
880	L	25.2	Very low	28.4	Very low	138 Å²	138	131.2 Å²	131.2	72%	0.723	70%	0.704	S	S	*	*			trans	80.7	153.8	-174	-42.9	154.8	0	0	0	111
881	F	26.8	Very low	28.2	Very low	187 Å²	187	130.8 Å²	130.8	82%	0.82	71%	0.706	S	S	*	*			cis	-132.1	170.9	-11.2	-78.6	-78.7	0	0	0	106.9
882	G	31.3	Very low	28.1	Very low	66 Å²	66	129.8 Å²	129.8	68%	0.68	71%	0.705	S	S	*	*			cis	174.7	178.5	-1.7	0	0	0	0	0	112.8
883	K	30.1	Very low	27.8	Very low	197 Å²	197	128.2 Å²	128.2	86%	0.857	70%	0.702	S	S	*	*			trans	-38.9	149	169.6	-45.9	141.2	-176.1	-179.7	0	113.4
884	G	30.4	Very low	27.7	Very low	42 Å²	42	131.8 Å²	131.8	43%	0.433	71%	0.707	S	S	.	*			cis	148.9	171.7	-4.7	0	0	0	0	0	112.8	S910	G884-S910 WeakPolarHBondContact O-CB 3.32Å
885	N	28.8	Very low	28	Very low	76 Å²	76	129.8 Å²	129.8	41%	0.406	70%	0.697	S	S	.	*			trans	93.6	116.7	135.7	-52.6	-21.8	0	0	0	123.8	S910 I911 T912	N885-S910 CarbonylContact O-C 3.11Å; N885-S910 WeakPolarHBondContact O-CB 3.33Å; N885-I911 HydrophobicContact CB-CG1 4.39Å; N885-I911 PolarHBondContact O-N 3.24Å; N885-T912 HydrophobicContact CB-CG2 3.38Å; N885-T912 WeakPolarHBondContact CB-OG1 3.43Å; N885-T912 PolarHBondContact ND2-OG1 2.76Å; N885-T912 VanDerWaalsContact OD1-CG2 3.29Å; N885-T912 WeakPolarHBondContact OD1-CG2 3.27Å
886	N	28.8	Very low	28.2	Very low	80 Å²	80	129.5 Å²	129.5	43%	0.428	69%	0.694	S	S	.	*			trans	71.3	139.3	144.3	-97.8	40.2	0	0	0	126.8	I911 T912 N913	N886-I911 WeakPolarHBondContact CB-O 3.45Å; N886-T912 WeakPolarHBondContact ND2-CA 3.35Å; N886-N913 PolarHBondContact ND2-N 2.84Å; N886-N913 PolarHBondContact OD1-N 2.84Å
887	L	27.7	Very low	28.5	Very low	129 Å²	129	130.5 Å²	130.5	68%	0.675	70%	0.699	S	S	*	*			trans	78.2	116.9	140.5	-70.5	165.8	0	0	0	124.4
888	L	27.4	Very low	28.6	Very low	159 Å²	159	129.4 Å²	129.4	83%	0.832	69%	0.692	S	S	*	*			trans	74.7	145.7	138.9	-69.3	167.7	0	0	0	122.5
889	C	26	Very low	28.7	Very low	118 Å²	118	129.5 Å²	129.5	80%	0.797	69%	0.693	S	S	*	*			trans	-112.1	-172	168.8	-35.2	0	0	0	0	108.5
890	P	38.4	Very low	28.4	Very low	105 Å²	105	128.8 Å²	128.8	68%	0.682	69%	0.69	S	S	*	*			cis	-136.6	-173.4	-11.5	37	-16.2	0	0	0	114.9
891	T	26.6	Very low	28.4	Very low	116 Å²	116	127.6 Å²	127.6	71%	0.712	69%	0.692	S	S	*	*			trans	62.9	127.1	151.3	43.7	0	0	0	0	123.4
892	L	25.6	Very low	28.4	Very low	146 Å²	146	123.1 Å²	123.1	76%	0.764	69%	0.689	S	S	*	*			trans	61	124.6	138.2	-73.9	163.4	0	0	0	121.9
893	T	25.8	Very low	28.2	Very low	121 Å²	121	127.2 Å²	127.2	74%	0.742	69%	0.694	S	S	*	*			trans	65.2	147	145	50.1	0	0	0	0	118.6
894	K	25.3	Very low	28.1	Very low	155 Å²	155	125.2 Å²	125.2	67%	0.674	69%	0.693	S	S	*	*			cis	-169.1	167.8	-12	-131.6	171.7	148.2	-79.7	0	108.4
895	D	28.6	Very low	27.9	Very low	116 Å²	116	130.3 Å²	130.3	62%	0.62	71%	0.71	S	S	*	*			trans	66.5	154.2	151	-60.2	-18.8	0	0	0	116.9
896	L	29.5	Very low	28	Very low	135 Å²	135	131.5 Å²	131.5	71%	0.707	72%	0.724	S	S	*	*			cis	-159.6	176.6	-2	-125.3	171.5	0	0	0	111.9
897	L	29.7	Very low	27.9	Very low	150 Å²	150	134.3 Å²	134.3	79%	0.785	74%	0.739	S	S	*	*			trans	72.4	142.7	177	-74.9	107.6	0	0	0	118.5
898	K	29.2	Very low	27.9	Very low	129 Å²	129	134.6 Å²	134.6	56%	0.561	74%	0.74	S	S	*	*			cis	-168.7	153.4	-38.2	-124.8	176.3	-176.4	-179.4	0	107.5	E2005	K898-E2005 IonicContact NZ-OE1 3.74Å
899	Q	28.3	Very low	27.9	Very low	179 Å²	179	133.7 Å²	133.7	84%	0.836	74%	0.736	S	S	*	*			trans	71.8	129.4	165.5	-61.3	167.6	-10.4	0	0	119.1
900	H	26	Very low	28.1	Very low	161 Å²	161	130.8 Å²	130.8	75%	0.745	72%	0.717	S	S	*	*			trans	37	124.7	150.7	-89.1	-87.3	0	0	0	122.9
901	C	26	Very low	27.7	Very low	113 Å²	113	131.3 Å²	131.3	76%	0.764	71%	0.713	S	S	*	*			trans	78.2	120.2	147.1	-59.8	0	0	0	0	120
902	A	27.3	Very low	27.8	Very low	92 Å²	92	127.8 Å²	127.8	76%	0.76	69%	0.692	S	S	*	*			trans	72.5	129.3	152.7	0	0	0	0	0	120.9
903	L	27.6	Very low	27.9	Very low	152 Å²	152	126.6 Å²	126.6	80%	0.796	69%	0.686	S	S	*	*			trans	47	116.3	139.7	-59.1	168.6	0	0	0	119.9
904	N	28	Very low	28	Very low	155 Å²	155	124.7 Å²	124.7	83%	0.829	68%	0.678	S	S	*	*				176.9	173.5	103.6	-92.8	-47.4	0	0	0	114.8
905	N	25.2	Very low	28	Very low	150 Å²	150	124.4 Å²	124.4	80%	0.802	68%	0.683	S	S	*	*			trans	-103.8	-174.2	-179.6	-65.5	-47.5	0	0	0	113.1
906	S	31.2	Very low	27.9	Very low	100 Å²	100	125.2 Å²	125.2	70%	0.699	69%	0.686	S	S	*	*			trans	84.9	103.8	144.4	60.9	0	0	0	0	122.7
907	D	27.1	Very low	27.9	Very low	139 Å²	139	124.5 Å²	124.5	74%	0.743	68%	0.683	S	S	*	*				75.8	122.1	103.2	-60.8	-39.5	0	0	0	126.5
908	I	27.6	Very low	27.7	Very low	135 Å²	135	124.2 Å²	124.2	69%	0.692	68%	0.678	S	S	*	*				71.4	118.4	125	-59.4	168.7	0	0	0	121.8
909	N	27.4	Very low	27.6	Very low	140 Å²	140	125.1 Å²	125.1	75%	0.749	68%	0.684	S	S	*	*			trans	156.2	152.9	130.9	-89.2	-64.2	0	0	0	110.6
910	S	29	Very low	27.4	Very low	57 Å²	57	121.4 Å²	121.4	40%	0.399	68%	0.678	S	S	.	*			cis	149.4	169.4	-18.5	65.2	0	0	0	0	108.7	G884 N885	G884-S910 WeakPolarHBondContact O-CB 3.32Å; N885-S910 CarbonylContact O-C 3.11Å; N885-S910 WeakPolarHBondContact O-CB 3.33Å
911	I	29.9	Very low	27.4	Very low	117 Å²	117	118 Å²	118	60%	0.6	67%	0.672	S	S	*	*			trans	112.6	156.8	165.6	-63.9	167.4	0	0	0	117.8	N885 N886	N885-I911 HydrophobicContact CB-CG1 4.39Å; N885-I911 PolarHBondContact O-N 3.24Å; N886-I911 WeakPolarHBondContact CB-O 3.45Å
912	T	29.1	Very low	27.4	Very low	42 Å²	42	118.8 Å²	118.8	26%	0.258	66%	0.664	S	S	.	*				-135.1	165.4	-91.1	-24	0	0	0	0	113.8	N885 N886	N885-T912 HydrophobicContact CB-CG2 3.38Å; N885-T912 WeakPolarHBondContact CB-OG1 3.43Å; N885-T912 PolarHBondContact ND2-OG1 2.76Å; N885-T912 VanDerWaalsContact OD1-CG2 3.29Å; N885-T912 WeakPolarHBondContact OD1-CG2 3.27Å; N886-T912 WeakPolarHBondContact ND2-CA 3.35Å
913	N	28.4	Very low	27.2	Very low	121 Å²	121	123.4 Å²	123.4	65%	0.647	66%	0.662	S	S	*	*			trans	81.2	158.7	141.2	-79.7	-23.4	0	0	0	118.8	N886	N886-N913 PolarHBondContact ND2-N 2.84Å; N886-N913 PolarHBondContact OD1-N 2.84Å
914	S	28.3	Very low	27.1	Very low	81 Å²	81	122.9 Å²	122.9	57%	0.566	65%	0.654	S	S	*	*			cis	-178.3	155.5	-33.5	56.7	0	0	0	0	112.4
915	L	25.6	Very low	27.1	Very low	149 Å²	149	122.1 Å²	122.1	78%	0.78	65%	0.645	S	S	*	*			trans	68.3	153.9	146.6	-100.4	64.1	0	0	0	120
916	L	25.6	Very low	27.3	Very low	132 Å²	132	120.9 Å²	120.9	69%	0.691	64%	0.637	S	S	*	*			trans	46.2	119.4	157.8	-89	68.2	0	0	0	118
917	N	28.9	Very low	27.3	Very low	121 Å²	121	123.3 Å²	123.3	65%	0.647	64%	0.642	S	S	*	*				-172	130.9	58.9	-103.8	-31.2	0	0	0	108.8
918	Q	25.9	Very low	27.2	Very low	143 Å²	143	119 Å²	119	67%	0.668	63%	0.63	S	S	*	*				79.9	135	84.3	-89.2	-157.9	36.9	0	0	115.7
919	Q	27	Very low	27.2	Very low	149 Å²	149	119.1 Å²	119.1	70%	0.696	64%	0.638	S	S	*	*			trans	63.3	110.5	162.9	-59	179.1	45.4	0	0	114.8
920	S	24.5	Very low	27.2	Very low	101 Å²	101	118.8 Å²	118.8	71%	0.706	64%	0.635	S	S	*	*			cis	63.7	156.6	47.9	100.7	0	0	0	0	113.2
921	S	25.5	Very low	27.3	Very low	88 Å²	88	121.5 Å²	121.5	62%	0.615	65%	0.645	S	S	*	*			trans	73.3	143.8	-179.1	-62.3	0	0	0	0	115
922	Q	25.2	Very low	27.2	Very low	130 Å²	130	124 Å²	124	61%	0.607	66%	0.655	S	S	*	*			cis	-164	157.1	-10.4	-122.4	173	78.2	0	0	110.9
923	R	23.9	Very low	26.9	Very low	190 Å²	190	130.2 Å²	130.2	72%	0.717	68%	0.683	S	S	*	*			trans	65.5	170.6	151.4	-67.6	175.9	-174.3	-151.5	5	114.5
924	K	26.2	Very low	26.9	Very low	141 Å²	141	136.1 Å²	136.1	61%	0.613	70%	0.696	S	S	*	*			cis	-165.1	167.3	-29.4	-101.2	175.4	-179.8	-165.6	0	103.6
925	Q	28.2	Very low	26.9	Very low	139 Å²	139	135.7 Å²	135.7	65%	0.65	70%	0.704	S	S	*	*			cis	-165.4	-175.2	15.9	-130.1	159.6	-53.6	0	0	107.1
926	I	27.8	Very low	27.1	Very low	123 Å²	123	136.7 Å²	136.7	63%	0.631	71%	0.709	S	S	*	*			trans	37.5	116.3	136.1	-66.1	162.6	0	0	0	116.5
927	D	31.4	Very low	27.1	Very low	151 Å²	151	139.1 Å²	139.1	81%	0.807	71%	0.713	S	S	*	*			cis	-141.8	169.1	23.1	-88.3	-46.6	0	0	0	112.9
928	G	26.6	Very low	27	Very low	48 Å²	48	140.1 Å²	140.1	50%	0.495	72%	0.719	S	S	.	*			cis	123.9	88.3	-2	0	0	0	0	0	114.4
929	T	27.5	Very low	26.9	Very low	138 Å²	138	143.6 Å²	143.6	85%	0.847	73%	0.732	S	S	*	*			trans	62.9	168.6	169.2	69.3	0	0	0	0	116.1
930	L	27	Very low	26.8	Very low	134 Å²	134	139.8 Å²	139.8	70%	0.702	73%	0.733	S	S	*	*			cis	-144	143.7	-8.3	-148	65.7	0	0	0	104.5
931	N	29.8	Very low	27.1	Very low	114 Å²	114	147.3 Å²	147.3	61%	0.61	75%	0.746	S	S	*	*				-173.9	145	71	-115.8	-47.3	0	0	0	114.1
932	Q	29.6	Very low	27.1	Very low	170 Å²	170	149.9 Å²	149.9	79%	0.794	76%	0.758	S	S	*	*			trans	53.6	103.9	144.9	-71.3	170.6	44.3	0	0	121.8
933	M	21.7	Very low	27.1	Very low	171 Å²	171	147.4 Å²	147.4	84%	0.842	75%	0.754	S	S	*	*			trans	-54.8	149.6	135.3	-54.4	168	-82.6	0	0	111.4
934	R	28	Very low	27.3	Very low	246 Å²	246	149.2 Å²	149.2	93%	0.928	76%	0.761	S	S	*	*				174.3	144.4	114.6	-96.7	174.4	-175.3	-157.4	2.9	113.4
935	G	28.5	Very low	27.4	Very low	72 Å²	72	148 Å²	148	74%	0.742	76%	0.76	S	S	*	*			trans	82.7	148.8	162.7	0	0	0	0	0	115.6
936	I	29.6	Very low	27.4	Very low	170 Å²	170	147.7 Å²	147.7	87%	0.872	77%	0.768	S	S	*	*			cis	-134.6	143.9	-9.5	-68.4	-177.9	0	0	0	108
937	K	26.7	Very low	27.9	Very low	182 Å²	182	147.5 Å²	147.5	79%	0.791	78%	0.775	S	S	*	*			trans	-76.3	146.4	174.4	-79	-176.6	177.4	176.5	0	111.2
938	N	25.7	Very low	27.8	Very low	142 Å²	142	147.3 Å²	147.3	76%	0.759	78%	0.779	S	S	*	*			trans	64.1	99.5	160.6	-53	-10.8	0	0	0	116.6
939	F	24.4	Very low	27.9	Very low	217 Å²	217	152.5 Å²	152.5	95%	0.952	79%	0.794	S	S	*	*				-166.9	146.4	113.9	-109.3	-72.7	0	0	0	110.7
940	G	25.8	Very low	28	Very low	69 Å²	69	155.1 Å²	155.1	71%	0.711	80%	0.797	S	S	*	*			trans	79.8	129.8	166.8	0	0	0	0	0	117.4
941	R	29.4	Very low	28.1	Very low	258 Å²	258	153 Å²	153	97%	0.974	80%	0.799	S	S	*	*			trans	-135.5	97.6	148.6	-87.8	-165.5	172	-162.3	-3.2	108.8
942	T	26.7	Very low	28.2	Very low	143 Å²	143	155.1 Å²	155.1	88%	0.877	81%	0.809	S	S	*	*			trans	-87.3	158.3	161.6	39.1	0	0	0	0	109.9
943	C	24.4	Very low	28.1	Very low	78 Å²	78	152.8 Å²	152.8	53%	0.527	81%	0.806	S	S	.	*			trans	-76.1	152.6	-177.8	-48.2	0	0	0	0	112.3
944	R	28.2	Very low	28.9	Very low	227 Å²	227	150.7 Å²	150.7	86%	0.857	81%	0.805	S	S	*	*				-172.8	175	121.5	-104.4	171.5	-176	-167.5	0.5	114.3
945	I	27.9	Very low	29.1	Very low	116 Å²	116	141.7 Å²	141.7	60%	0.595	79%	0.789	S	S	*	*			trans	-115.3	165.7	-163.3	-70.5	167.3	0	0	0	110.3	L1059	I945-L1059 HydrophobicContact CD1-CD2 4.31Å
946	T	29	Very low	29.2	Very low	133 Å²	133	146.5 Å²	146.5	82%	0.816	80%	0.796	S	S	*	*			trans	72	129.8	168.2	30.9	0	0	0	0	119.2
947	P	38.8	Very low	29.4	Very low	118 Å²	118	144.6 Å²	144.6	77%	0.766	79%	0.792	S	S	*	*			trans	-112.9	150.5	172.9	39.4	-30.6	0	0	0	114.6
948	V	29.3	Very low	29.5	Very low	148 Å²	148	142 Å²	142	90%	0.897	79%	0.792	S	S	*	*			trans	-147.8	156	145.9	174.5	0	0	0	0	107.4
949	L	28.3	Very low	29.7	Very low	156 Å²	156	140.4 Å²	140.4	82%	0.817	79%	0.792	S	S	*	*			trans	-91	177.9	-172.3	-76.8	84.6	0	0	0	114.9
950	E	28.5	Very low	30.1	Very low	193 Å²	193	137.2 Å²	137.2	90%	0.902	78%	0.783	S	S	*	*			trans	107.8	127.1	156.8	-60.4	-170.6	175.9	0	0	115
951	A	30.4	Very low	30.1	Very low	90 Å²	90	138.6 Å²	138.6	74%	0.744	78%	0.782	S	S	*	*			cis	-141.6	-157.8	2.9	0	0	0	0	0	109.8
952	I	30.2	Very low	30.1	Very low	159 Å²	159	135.8 Å²	135.8	82%	0.815	78%	0.78	S	S	*	*			cis	-159.7	172.7	13.5	-159.4	156.4	0	0	0	113
953	T	27.9	Very low	30.3	Very low	120 Å²	120	135.1 Å²	135.1	74%	0.736	78%	0.776	S	S	*	*			trans	-74.6	-176	173.4	25.3	0	0	0	0	114.7
954	P	40.1	Very low	30.5	Very low	127 Å²	127	137.5 Å²	137.5	83%	0.825	79%	0.794	S	S	*	*			cis	-130.3	-173.7	14.4	41.8	-22.9	0	0	0	115.2
955	G	30.7	Very low	30.7	Very low	58 Å²	58	130.9 Å²	130.9	60%	0.598	79%	0.787	S	S	*	*			cis	156.5	-163.6	-6.3	0	0	0	0	0	112.5
956	I	32.1	Very low	30.8	Very low	172 Å²	172	131.4 Å²	131.4	88%	0.882	80%	0.796	S	S	*	*			trans	60.3	145.1	176.4	23.3	-177.3	0	0	0	116.9
957	T	32.5	Very low	30.8	Very low	130 Å²	130	129.3 Å²	129.3	80%	0.798	79%	0.792	S	S	*	*			cis	-128.9	174.8	10.9	48.5	0	0	0	0	114.5
958	T	28.5	Very low	30.3	Very low	128 Å²	128	128.7 Å²	128.7	79%	0.785	79%	0.79	S	S	*	*			trans	-142.1	141.6	-170.1	52.8	0	0	0	0	115.2
959	S	31.3	Very low	30.4	Very low	109 Å²	109	126.3 Å²	126.3	76%	0.762	78%	0.78	S	S	*	*			trans	-161.9	131.4	154.6	48.7	0	0	0	0	108.5
960	I	31.8	Very low	30.5	Very low	149 Å²	149	124 Å²	124	76%	0.764	78%	0.777	S	S	*	*			cis	71.5	126.5	48.1	-57.3	167.5	0	0	0	111.2
961	S	26.9	Very low	30.7	Very low	99 Å²	99	120.6 Å²	120.6	69%	0.692	77%	0.77	S	S	*	*			cis	-175.6	148.7	-23	54.9	0	0	0	0	109
962	E	29.2	Very low	30.9	Very low	198 Å²	198	122.1 Å²	122.1	93%	0.925	77%	0.77	S	S	*	*			trans	-153.6	150.2	158.8	-131.1	166.1	-131.6	0	0	112.2
963	T	29.5	Very low	31	Very low	129 Å²	129	119 Å²	119	79%	0.791	77%	0.768	S	S	*	*			trans	-145.5	119.8	-166.4	52.8	0	0	0	0	113.5
964	S	29.8	Very low	31.2	Very low	129 Å²	129	117 Å²	117	90%	0.902	76%	0.764	S	S	*	*			trans	-167.8	150	170.7	-65.5	0	0	0	0	108.6
965	A	31.2	Very low	30.8	Very low	87 Å²	87	117.5 Å²	117.5	72%	0.719	77%	0.765	S	S	*	*			cis	-157.2	152.2	-13.7	0	0	0	0	0	110.9
966	V	31.4	Very low	31.3	Very low	128 Å²	128	119.8 Å²	119.8	78%	0.776	77%	0.769	S	S	*	*			trans	41.7	91.9	141.5	-173.5	0	0	0	0	119.1
967	A	28.1	Very low	31.3	Very low	89 Å²	89	117.4 Å²	117.4	74%	0.736	76%	0.762	S	S	*	*				51.2	166.7	109.1	0	0	0	0	0	123.4
968	S	29.7	Very low	31.3	Very low	105 Å²	105	116.6 Å²	116.6	73%	0.734	76%	0.757	S	S	*	*			trans	85.8	141.9	161.5	-24.5	0	0	0	0	116.9
969	S	30.7	Very low	31.5	Very low	98 Å²	98	117.1 Å²	117.1	69%	0.685	76%	0.761	S	S	*	*			cis	-175.6	148.5	-18	44.4	0	0	0	0	112.2
970	S	30.1	Very low	31.5	Very low	107 Å²	107	115.1 Å²	115.1	75%	0.748	76%	0.757	S	S	*	*			trans	64.5	168	148.9	73.7	0	0	0	0	117.2
971	T	32.3	Very low	31.4	Very low	121 Å²	121	115.3 Å²	115.3	74%	0.742	76%	0.759	S	S	*	*			cis	-145.3	162.1	8.1	27.9	0	0	0	0	107.5
972	T	34.2	Very low	31.5	Very low	122 Å²	122	118.4 Å²	118.4	75%	0.748	76%	0.76	S	S	*	*			cis	-163.1	150.8	11.3	-0.5	0	0	0	0	110.9
973	A	32.5	Very low	31.5	Very low	94 Å²	94	116.4 Å²	116.4	78%	0.777	75%	0.748	S	S	*	*			trans	48	153.1	138.6	0	0	0	0	0	123.6
974	A	32.7	Very low	31.4	Very low	78 Å²	78	118.1 Å²	118.1	65%	0.645	75%	0.747	S	S	*	*			cis	-172.2	124.3	-23.2	0	0	0	0	0	113.3
975	T	32	Very low	31.4	Very low	138 Å²	138	121.5 Å²	121.5	85%	0.847	75%	0.746	S	S	*	*			trans	69.5	178.4	145	72.2	0	0	0	0	117.4
976	P	41.2	Very low	31.4	Very low	105 Å²	105	122.9 Å²	122.9	68%	0.682	75%	0.75	S	S	*	*				-139.4	-162.3	-109.1	34.3	-7.9	0	0	0	116.6
977	T	31.2	Very low	31.2	Very low	122 Å²	122	124.5 Å²	124.5	75%	0.748	75%	0.753	S	S	*	*			trans	78	147.3	166.1	73.9	0	0	0	0	117.4
978	T	33.3	Very low	31.1	Very low	113 Å²	113	128.4 Å²	128.4	69%	0.693	76%	0.756	S	S	*	*			cis	-162.8	148.6	-16.2	17.1	0	0	0	0	110.6
979	T	32.6	Very low	31.1	Very low	140 Å²	140	132.3 Å²	132.3	86%	0.859	76%	0.762	S	S	*	*			trans	50.2	136.6	153.5	55.5	0	0	0	0	121.2
980	G	31.1	Very low	30.8	Very low	66 Å²	66	132.6 Å²	132.6	68%	0.68	76%	0.764	S	S	*	*			cis	156.9	174.9	-3	0	0	0	0	0	113.1
981	L	30.1	Very low	30.8	Very low	154 Å²	154	136.7 Å²	136.7	81%	0.806	77%	0.771	S	S	*	*			trans	72.2	152.6	170.8	-49.7	177.9	0	0	0	116.4
982	F	28.5	Very low	30.5	Very low	164 Å²	164	139.7 Å²	139.7	72%	0.719	77%	0.774	S	S	*	*			cis	-158.2	155.8	-4.6	-127.8	-37	0	0	0	112.9
983	K	29.4	Very low	30.1	Very low	156 Å²	156	144.6 Å²	144.6	68%	0.678	78%	0.779	S	S	*	*			trans	72.4	116.1	149	-77	179.5	178.5	177.7	0	123.6
984	Q	27.3	Very low	29.7	Very low	164 Å²	164	146.6 Å²	146.6	77%	0.766	77%	0.772	S	S	*	*				57.1	116	127.3	-62.3	176.7	-73.5	0	0	121.3
985	K	30.2	Very low	29.4	Very low	201 Å²	201	148.3 Å²	148.3	87%	0.874	77%	0.77	S	S	*	*				-167.4	164.8	95.9	-110.4	-179.4	179.9	180	0	113.4
986	S	31.1	Very low	29.1	Very low	115 Å²	115	148.3 Å²	148.3	80%	0.804	76%	0.761	S	S	*	*			trans	68.6	161.3	166.8	-55.9	0	0	0	0	117.5
987	I	27.6	Very low	28.5	Very low	163 Å²	163	149 Å²	149	84%	0.836	76%	0.758	S	S	*	*			trans	-135.1	164.4	-161.3	-59.5	175	0	0	0	108.2
988	E	25.8	Very low	28.5	Very low	170 Å²	170	149 Å²	149	79%	0.794	76%	0.758	S	S	*	*			trans	77.8	91.6	179.5	-51.3	-166.6	156.9	0	0	116.2
989	H	29	Very low	28.1	Very low	188 Å²	188	151.6 Å²	151.6	87%	0.87	76%	0.76	S	S	*	*				-161.5	156	102	-118.4	-94.8	0	0	0	111.2
990	S	25.3	Very low	27.8	Very low	103 Å²	103	150 Å²	150	72%	0.72	75%	0.754	S	S	*	*			trans	-110.5	137.7	-172.1	54.1	0	0	0	0	112.7
991	H	29.3	Very low	27.6	Very low	193 Å²	193	151.6 Å²	151.6	89%	0.894	76%	0.755	S	S	*	*			trans	-133.1	148.9	171.1	-105.5	-105.9	0	0	0	111.4
992	K	26.8	Very low	27.7	Very low	185 Å²	185	153.5 Å²	153.5	80%	0.804	75%	0.752	S	S	*	*			trans	-90.8	178.4	-179.3	-81.9	-177.8	176.1	176.3	0	112.1
993	W	24.5	Very low	27.7	Very low	225 Å²	225	154.1 Å²	154.1	85%	0.852	75%	0.749	S	S	*	*			trans	86	148.4	167.1	-60	78.6	0	0	0	115.8
994	Q	25.7	Very low	27.6	Very low	135 Å²	135	153.1 Å²	153.1	63%	0.631	75%	0.751	S	S	*	*			cis	-173.5	158.8	-43.8	-136	-177.5	-6.7	0	0	106
995	N	25	Very low	27.6	Very low	114 Å²	114	149.6 Å²	149.6	61%	0.61	74%	0.744	S	S	*	*			trans	67.4	144	157.3	-68.8	-13.8	0	0	0	117.6
996	Q	27.2	Very low	27.4	Very low	139 Å²	139	145.6 Å²	145.6	65%	0.65	74%	0.737	S	S	*	*			cis	-167.6	169.7	-19.3	-133.1	174.7	56.7	0	0	110.4
997	N	28.5	Very low	27.3	Very low	119 Å²	119	152.3 Å²	152.3	64%	0.636	75%	0.745	S	S	*	*			trans	72.4	148.9	155.3	-60.5	-29.3	0	0	0	117.8
998	V	29.7	Very low	27.1	Very low	121 Å²	121	151.4 Å²	151.4	73%	0.733	74%	0.742	S	S	*	*			cis	-142.7	143.8	4.8	95.5	0	0	0	0	112.7
999	F	25.9	Very low	27.7	Very low	169 Å²	169	148.1 Å²	148.1	74%	0.741	74%	0.735	S	S	*	*			trans	18.6	128.9	151.4	-73.1	-112.5	0	0	0	119.7
1000	S	25.5	Very low	27.5	Very low	106 Å²	106	143.5 Å²	143.5	74%	0.741	72%	0.724	S	S	*	*				63.8	145.6	64.5	-54.5	0	0	0	0	113.1
1001	S	28.2	Very low	27.5	Very low	99 Å²	99	145 Å²	145	69%	0.692	72%	0.724	S	S	*	*			cis	-175.3	-172.7	26.9	-158.6	0	0	0	0	112.3
1002	R	30.6	Very low	27.3	Very low	195 Å²	195	141.5 Å²	141.5	74%	0.736	71%	0.712	S	S	*	*			trans	77.7	153.6	152.2	-68.1	167.8	177.9	-176.3	-0.3	117.9
1003	R	28.3	Very low	27.2	Very low	176 Å²	176	138.7 Å²	138.7	66%	0.664	71%	0.706	S	S	*	*			cis	-161.9	157.8	1.3	-125.2	168	-175.6	170.1	-2.7	114.9
1004	N	27.3	Very low	27.3	Very low	136 Å²	136	134.2 Å²	134.2	73%	0.727	70%	0.698	S	S	*	*			trans	67.7	156.1	148.4	-69	-3.6	0	0	0	119.4
1005	S	28.2	Very low	27.3	Very low	89 Å²	89	132.8 Å²	132.8	62%	0.622	70%	0.703	S	S	*	*			cis	-144.9	130.9	7.6	-145.1	0	0	0	0	115.8
1006	T	26.8	Very low	27.4	Very low	118 Å²	118	130.7 Å²	130.7	72%	0.724	71%	0.709	S	S	*	*			trans	36.6	119.7	137.1	58.6	0	0	0	0	121.7
1007	R	27.3	Very low	27.4	Very low	256 Å²	256	131.5 Å²	131.5	97%	0.966	72%	0.723	S	S	*	*				-151.6	90.5	123.1	-144.2	175.9	-167.3	174.8	4.5	113.8
1008	D	23.7	Very low	27.4	Very low	144 Å²	144	129.5 Å²	129.5	77%	0.77	73%	0.731	S	S	*	*			trans	-89.2	-177.8	160.6	-92	-48.5	0	0	0	109.8
1009	P	38.9	Very low	27.2	Very low	101 Å²	101	135.1 Å²	135.1	66%	0.656	74%	0.739	S	S	*	*			cis	-141.4	-172.5	-41.7	39	-22.1	0	0	0	113.8
1010	S	25.4	Very low	27.1	Very low	90 Å²	90	132.6 Å²	132.6	63%	0.629	74%	0.741	S	S	*	*			trans	83.4	138.6	137.5	79.9	0	0	0	0	123
1011	N	24.9	Very low	27.1	Very low	135 Å²	135	132.3 Å²	132.3	72%	0.722	74%	0.739	S	S	*	*				67.4	144.3	128	-72.3	6.2	0	0	0	121.7
1012	N	24.5	Very low	27	Very low	119 Å²	119	133.4 Å²	133.4	64%	0.636	74%	0.741	S	S	*	*			cis	-166.2	169.6	-14.8	-129.1	-9.5	0	0	0	111.4
1013	N	24.8	Very low	26.7	Very low	127 Å²	127	130 Å²	130	68%	0.679	74%	0.737	S	S	*	*			trans	67.7	153.4	159.2	-57.5	-8.7	0	0	0	116.6
1014	N	26	Very low	26.7	Very low	131 Å²	131	130.5 Å²	130.5	70%	0.701	75%	0.747	S	S	*	*			cis	-153.5	126.4	-6.6	-117.6	4.6	0	0	0	108.2
1015	S	26	Very low	26.7	Very low	104 Å²	104	129.6 Å²	129.6	73%	0.727	75%	0.749	S	S	*	*				78.7	121.2	87.8	79.8	0	0	0	0	116.2
1016	G	28.5	Very low	26.8	Very low	71 Å²	71	131.2 Å²	131.2	73%	0.732	75%	0.75	S	S	*	*			trans	154.5	63.3	175.7	0	0	0	0	0	114.3
1017	V	26.4	Very low	27	Very low	155 Å²	155	131.2 Å²	131.2	94%	0.939	75%	0.75	S	S	*	*				72.6	108.7	94.7	178.7	0	0	0	0	114.8
1018	G	28	Very low	27.2	Very low	78 Å²	78	126.5 Å²	126.5	80%	0.804	74%	0.744	S	S	*	*			trans	-168.3	145.7	168.1	0	0	0	0	0	109.4
1019	R	25.3	Very low	27.4	Very low	238 Å²	238	124.2 Å²	124.2	90%	0.898	73%	0.732	S	S	*	*			trans	-121.4	163	-168.8	-78.3	-175	169.4	-175	-2.6	113.9
1020	C	24.4	Very low	26.9	Very low	117 Å²	117	123.7 Å²	123.7	79%	0.791	72%	0.723	S	S	*	*			trans	81.9	145.4	160.4	-57.9	0	0	0	0	118.2
1021	S	25.3	Very low	27.2	Very low	100 Å²	100	125.3 Å²	125.3	70%	0.699	72%	0.721	S	S	*	*			cis	-173.2	138	-26.1	-106	0	0	0	0	112.6
1022	V	25.8	Very low	27.6	Very low	122 Å²	122	125.5 Å²	125.5	74%	0.739	72%	0.718	S	S	*	*			trans	70.3	141.9	148.5	-178	0	0	0	0	119.6
1023	D	24.5	Very low	28.3	Very low	122 Å²	122	126.9 Å²	126.9	65%	0.652	72%	0.724	S	S	*	*			trans	-83.7	167.9	-171.2	-43.8	-101.6	0	0	0	114.7
1024	E	27.6	Very low	28.5	Very low	187 Å²	187	125.3 Å²	125.3	87%	0.874	72%	0.716	S	S	*	*				166.7	147.7	113	-90.3	-170.7	150.1	0	0	111.8
1025	P	28.6	Very low	28.5	Very low	118 Å²	118	122.6 Å²	122.6	77%	0.766	70%	0.701	S	S	*	*			trans	-105.5	128.9	167.7	35.7	-26.4	0	0	0	112.4
1026	D	30.7	Very low	28.7	Very low	122 Å²	122	124.7 Å²	124.7	65%	0.652	71%	0.705	S	S	*	*			trans	-71.4	137.5	-179.3	-64.7	-60.5	0	0	0	113.6	P514	P514-D1026 VanDerWaalsContact CD-OD2 3.24Å; P514-D1026 WeakPolarHBondContact CD-OD2 3.17Å
1027	V	30.2	Very low	28.6	Very low	119 Å²	119	125.1 Å²	125.1	72%	0.721	71%	0.709	S	S	*	*			trans	-132.2	124.7	165.6	176.3	0	0	0	0	108.6
1028	D	30.8	Very low	28.6	Very low	156 Å²	156	128.9 Å²	128.9	83%	0.834	71%	0.706	S	S	*	*			trans	-117.9	113.8	177.2	-97.5	-37.6	0	0	0	110.6
1029	D	29.7	Very low	28.8	Very low	97 Å²	97	130.8 Å²	130.8	52%	0.519	70%	0.702	S	S	.	*			trans	-93.5	136.4	159.8	-79.2	-35.9	0	0	0	110.1	V1091	D1029-V1091 HydrophobicContact CB-CB 3.86Å; D1029-V1091 HydrophobicContact CB-CG1 3.97Å; D1029-V1091 HydrophobicContact CB-CG2 3.78Å; D1029-V1091 WeakPolarHBondContact OD2-CG2 3.45Å
1030	D	27.1	Very low	29.2	Very low	89 Å²	89	123.6 Å²	123.6	48%	0.476	69%	0.686	S	S	.	*			trans	-177.6	61.8	136.7	-108.9	-24.4	0	0	0	111.1	R1095	D1030-R1095 IonicContact OD2-CZ 2.69Å; D1030-R1095 IonicContact OD2-NH1 2.66Å; D1030-R1095 PolarHBondContact OD2-NH1 3.34Å; D1030-R1095 IonicContact OD2-NH2 2.6Å
1031	E	31.2	Very low	29.4	Very low	124 Å²	124	127.2 Å²	127.2	58%	0.579	69%	0.691	S	S	*	*			trans	-157.4	84.6	155.2	-130.4	175.8	-102.3	0	0	114.9	R1195	E1031-R1195 IonicContact OE1-CZ 3.82Å; E1031-R1195 IonicContact OE1-NH1 3.87Å; E1031-R1195 PolarHBondContact OE1-NH1 2.88Å; E1031-R1195 IonicContact OE1-NH2 3.11Å; E1031-R1195 PolarHBondContact OE1-NH2 3.35Å; E1031-R1195 IonicContact OE2-CZ 3.69Å; E1031-R1195 IonicContact OE2-NE 2.73Å; E1031-R1195 PolarHBondContact OE2-NE 3.25Å; E1031-R1195 IonicContact OE2-NH1 2.7Å; E1031-R1195 PolarHBondContact OE2-NH1 2.76Å; E1031-R1195 IonicContact OE2-NH2 3.06Å; E1031-R1195 PolarHBondContact OE2-NH2 3.26Å
1032	E	33.3	Very low	29.8	Very low	140 Å²	140	128 Å²	128	65%	0.654	68%	0.684	S	S	*	*			trans	-130.1	114	158.2	-168.8	178	-129.4	0	0	108.7	R1109	E1032-R1109 IonicContact OE2-CZ 3.8Å; E1032-R1109 IonicContact OE2-NH1 3.84Å; E1032-R1109 IonicContact OE2-NH2 2.8Å; E1032-R1109 PolarHBondContact OE2-NH2 3.02Å
1033	L	39.1	Very low	29.9	Very low	147 Å²	147	125.6 Å²	125.6	77%	0.77	68%	0.684	S	S	*	*			trans	-100.9	118.1	172.9	-74.1	168.2	0	0	0	108	D1035	L1033-D1035 PolarHBondContact O-N 2.83Å
1034	D	30.6	Very low	30.4	Very low	94 Å²	94	126.9 Å²	126.9	50%	0.503	69%	0.691	S	S	.	*	S	Bend	trans	-65.8	58.5	174.4	-66.5	-54.3	0	0	0	111.7	R1129	D1034-R1129 IonicContact OD2-CZ 2.74Å; D1034-R1129 IonicContact OD2-NH1 3.11Å; D1034-R1129 IonicContact OD2-NH2 2.79Å; D1034-R1129 PolarHBondContact OD2-NH2 2.81Å; D1034-R1129 VanDerWaalsContact OD2-NH2 3.11Å
1035	D	26.2	Very low	31.1	Very low	74 Å²	74	123.5 Å²	123.5	40%	0.396	69%	0.685	S	S	.	*			trans	-153.8	40.5	-166.9	-156.3	21	0	0	0	116.2	L1033 K1165	L1033-D1035 PolarHBondContact O-N 2.83Å; D1035-K1165 PolarHBondContact O-NZ 2.83Å; D1035-K1165 IonicContact OD1-NZ 2.71Å; D1035-K1165 PolarHBondContact OD1-NZ 3.08Å; D1035-K1165 WeakPolarHBondContact OD2-CE 3.44Å; D1035-K1165 IonicContact OD2-NZ 2.92Å; D1035-K1165 PolarHBondContact OD2-NZ 3.14Å
1036	D	29	Very low	32.4	Very low	149 Å²	149	122.4 Å²	122.4	80%	0.797	67%	0.672	S	S	*	*			trans	-132.7	127.1	166.8	-112	-25.5	0	0	0	111.6	R1038	D1036-R1038 PolarHBondContact O-N 3.36Å
1037	G	26.6	Very low	33.7	Very low	80 Å²	80	124 Å²	124	83%	0.825	67%	0.674	S	S	*	*			trans	-79.7	70.3	-172.3	0	0	0	0	0	114.6
1038	R	26.9	Very low	36	Very low	233 Å²	233	121.4 Å²	121.4	88%	0.879	66%	0.658	S	S	*	*			trans	-124.2	122.9	175	-151.5	175.9	-163.7	-165.6	2.9	111.5	D1036 P1040	D1036-R1038 PolarHBondContact O-N 3.36Å; R1038-P1040 VanDerWaalsContact O-CD 3.3Å; R1038-P1040 WeakPolarHBondContact O-CD 3.01Å
1039	V	30.9	Very low	38.7	Very low	118 Å²	118	114.5 Å²	114.5	72%	0.715	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-68.9	121.7	178.9	179.3	0	0	0	0	109.8
1040	P	34.8	Very low	41.8	Very low	88 Å²	88	111.3 Å²	111.3	57%	0.571	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-73.7	133.3	167.1	-13.2	29.8	0	0	0	109.6	R1038 K1125	R1038-P1040 VanDerWaalsContact O-CD 3.3Å; R1038-P1040 WeakPolarHBondContact O-CD 3.01Å; P1040-K1125 PolarHBondContact O-NZ 3.15Å
1041	Q	28.6	Very low	44.9	Very low	192 Å²	192	108.8 Å²	108.8	90%	0.897	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-68.7	134.9	154.2	-74.3	175.4	-41.2	0	0	107.5
1042	E	33.2	Very low	48	Very low	118 Å²	118	102.9 Å²	102.9	55%	0.551	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-77.6	122.5	174.4	-85.7	138.9	-128.1	0	0	108.8	K1125	E1042-K1125 WeakPolarHBondContact OE1-CG 3.45Å; E1042-K1125 IonicContact OE1-NZ 3.49Å; E1042-K1125 PolarHBondContact OE1-NZ 3.45Å
1043	G	28.4	Very low	50.8	Low	70 Å²	70	99.7 Å²	99.7	72%	0.722	55%	0.547	S	S	*	.			trans	-151.1	12.8	-167.1	0	0	0	0	0	115
1044	D	34.9	Very low	53.3	Low	150 Å²	150	93.2 Å²	93.2	80%	0.802	51%	0.513	S	S	*	.	S	Bend	trans	-152.1	145.3	159.9	-100.8	-41.8	0	0	0	107.4	D1046	D1044-D1046 PolarHBondContact O-N 2.84Å
1045	P	43.2	Very low	56.1	Low	116 Å²	116	89.9 Å²	89.9	75%	0.753	50%	0.501	S	S	*	.			trans	-66.9	129.2	170.9	29.1	-32.3	0	0	0	108.9	F1047	P1045-F1047 PolarHBondContact O-N 3.31Å
1046	D	55.8	Low	59	Low	94 Å²	94	93 Å²	93	50%	0.503	52%	0.517	S	S	.	.			trans	-48.2	124.5	178.8	-83.7	-45.3	0	0	0	110.9	D1044 V1048 K1114	D1044-D1046 PolarHBondContact O-N 2.84Å; D1046-V1048 VanDerWaalsContact C-N 3.34Å; D1046-V1048 PolarHBondContact O-N 3.08Å; D1046-K1114 WeakPolarHBondContact OD1-CE 3.28Å; D1046-K1114 IonicContact OD1-NZ 3.86Å; D1046-K1114 PolarHBondContact OD1-NZ 3.27Å; D1046-K1114 WeakPolarHBondContact OD2-CE 3.11Å; D1046-K1114 IonicContact OD2-NZ 2.9Å; D1046-K1114 PolarHBondContact OD2-NZ 3.44Å
1047	F	57.1	Low	62.1	Low	155 Å²	155	86.4 Å²	86.4	68%	0.68	48%	0.483	S	S	*	.			trans	-65.5	97.1	173.9	178	-101.1	0	0	0	109.2	P1045 E1049	P1045-F1047 PolarHBondContact O-N 3.31Å; F1047-E1049 HydrophobicContact CD1-CB 4.36Å; F1047-E1049 HydrophobicContact CE1-CB 3.81Å; F1047-E1049 HydrophobicContact CE1-CG 4.49Å; F1047-E1049 PolarHBondContact O-N 2.98Å
1048	V	78.4	Confident	65.2	Low	65 Å²	65	85.5 Å²	85.5	39%	0.394	46%	0.462	S	S	.	.			trans	-77.2	100.8	171.4	172.1	0	0	0	0	107.4	D1046 T1050 Q1064	D1046-V1048 VanDerWaalsContact C-N 3.34Å; D1046-V1048 PolarHBondContact O-N 3.08Å; V1048-T1050 HydrophobicContact CG1-CG2 3.94Å; V1048-Q1064 HydrophobicContact CG1-CB 3.61Å; V1048-Q1064 HydrophobicContact CG1-CG 3.81Å
1049	E	89	Confident	68.5	Low	11 Å²	11	77.3 Å²	77.3	5%	0.051	44%	0.435	C	S	.	.			trans	-68.8	131.6	167.9	178.2	58.2	-75.9	0	0	108.9	F1047 T1051 R1053 L1067 W1087 H1110	F1047-E1049 HydrophobicContact CD1-CB 4.36Å; F1047-E1049 HydrophobicContact CE1-CB 3.81Å; F1047-E1049 HydrophobicContact CE1-CG 4.49Å; F1047-E1049 PolarHBondContact O-N 2.98Å; E1049-T1051 WeakPolarHBondContact OE1-CB 3.41Å; E1049-T1051 PolarHBondContact OE1-N 2.84Å; E1049-R1053 IonicContact OE2-CZ 3.65Å; E1049-R1053 VanDerWaalsContact OE2-CZ 3.23Å; E1049-R1053 IonicContact OE2-NE 2.68Å; E1049-R1053 PolarHBondContact OE2-NE 3.4Å; E1049-R1053 IonicContact OE2-NH2 3.72Å; E1049-R1053 PolarHBondContact OE2-NH2 3.12Å; E1049-L1067 HydrophobicContact CG-CD2 4.2Å; E1049-L1067 WeakPolarHBondContact O-CD2 3.38Å; E1049-W1087 HydrophobicContact CG-CH2 4.06Å; E1049-W1087 HydrophobicContact CG-CZ2 3.7Å; E1049-H1110 VanDerWaalsContact CB-O 3.3Å; E1049-H1110 WeakPolarHBondContact CB-O 3.34Å
1050	T	93.1	Very high	71.4	Confident	30 Å²	30	78.5 Å²	78.5	18%	0.184	43%	0.433	C	S	.	.			trans	-122.6	-0.4	175.2	76.5	0	0	0	0	112.7	V1048 F1061	V1048-T1050 HydrophobicContact CG1-CG2 3.94Å; T1050-F1061 WeakPolarHBondContact CB-O 3.41Å; T1050-F1061 WeakPolarHBondContact O-CD2 3.4Å; T1050-F1061 PolarHBondContact O-N 3.3Å; T1050-F1061 PolarHBondContact OG1-O 3.49Å
1051	T	92.9	Very high	74.2	Confident	37 Å²	37	76.1 Å²	76.1	23%	0.227	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-99.6	119.7	175.4	-51.5	0	0	0	0	110.6	E1049 R1053 W1087	E1049-T1051 WeakPolarHBondContact OE1-CB 3.41Å; E1049-T1051 PolarHBondContact OE1-N 2.84Å; T1051-R1053 PolarHBondContact O-N 3.36Å; T1051-W1087 WeakPolarHBondContact O-CH2 3.17Å; T1051-W1087 WeakPolarHBondContact O-CZ2 3.48Å
1052	C	95.4	Very high	77.1	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	41%	0.414	C	S	.	.			trans	-69.4	116.5	172.1	-170.9	0	0	0	0	110.5	C1057 T1058 L1059 F1061 L1067 H1070 H1075	C1052-C1057 HydrophobicContact CB-CB 4.41Å; C1052-C1057 CarbonylContact O-C 3.27Å; C1052-T1058 WeakPolarHBondContact O-CA 3.12Å; C1052-T1058 PolarHBondContact O-N 3.14Å; C1052-L1059 PolarHBondContact N-O 2.76Å; C1052-F1061 HydrophobicContact CB-CE2 4.09Å; C1052-L1067 HydrophobicContact CB-CD1 3.49Å; C1052-L1067 VanDerWaalsContact CB-CD1 3.49Å; C1052-H1070 VanDerWaalsContact SG-CD2 3.58Å; C1052-H1070 PolarHBondContact SG-NE2 3.45Å; C1052-H1075 VanDerWaalsContact SG-CD2 3.57Å
1053	R	92.4	Very high	79.8	Confident	72 Å²	72	72.8 Å²	72.8	27%	0.272	41%	0.406	S	S	.	.			trans	-105.1	22.7	174	-45.3	-174.4	-167	-160.4	7.2	112.9	E1049 T1051 G1055 W1087 R1088 E1089	E1049-R1053 IonicContact OE2-CZ 3.65Å; E1049-R1053 VanDerWaalsContact OE2-CZ 3.23Å; E1049-R1053 IonicContact OE2-NE 2.68Å; E1049-R1053 PolarHBondContact OE2-NE 3.4Å; E1049-R1053 IonicContact OE2-NH2 3.72Å; E1049-R1053 PolarHBondContact OE2-NH2 3.12Å; T1051-R1053 PolarHBondContact O-N 3.36Å; R1053-G1055 PolarHBondContact O-N 3.06Å; R1053-W1087 HydrophobicContact CB-CD2 3.97Å; R1053-W1087 HydrophobicContact CB-CE3 4.39Å; R1053-W1087 HydrophobicContact CB-CG 4.45Å; R1053-W1087 HydrophobicContact CB-CH2 4.36Å; R1053-W1087 HydrophobicContact CB-CZ2 3.85Å; R1053-W1087 HydrophobicContact CG-CH2 4.32Å; R1053-W1087 HydrophobicContact CG-CZ2 3.68Å; R1053-W1087 VanDerWaalsContact N-CH2 3.31Å; R1053-W1087 VanDerWaalsContact N-CZ3 3.3Å; R1053-W1087 WeakPolarHBondContact O-CA 3.49Å; R1053-R1088 HydrophobicContact CB-CB 4.18Å; R1053-R1088 PolarHBondContact O-N 3.05Å; R1053-E1089 IonicContact CZ-OE1 2.75Å; R1053-E1089 IonicContact CZ-OE2 2.93Å; R1053-E1089 IonicContact NH1-OE1 2.87Å; R1053-E1089 PolarHBondContact NH1-OE1 2.88Å; R1053-E1089 IonicContact NH1-OE2 2.95Å; R1053-E1089 PolarHBondContact NH1-OE2 2.93Å
1054	W	91.9	Very high	82.8	Confident	11 Å²	11	71.3 Å²	71.3	4%	0.042	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-76.2	114	-176.4	-177.6	-77.2	0	0	0	112.1	D1056 C1057 L1071 H1075 V1084 L1086 W1087 L1103 M1107	W1054-D1056 PolarHBondContact O-N 2.89Å; W1054-C1057 HydrophobicContact CB-CB 4.49Å; W1054-C1057 WeakPolarHBondContact O-CB 3.29Å; W1054-C1057 PolarHBondContact O-N 3.15Å; W1054-L1071 HydrophobicContact CB-CD2 4.16Å; W1054-L1071 HydrophobicContact CD2-CD2 4.35Å; W1054-L1071 HydrophobicContact CE3-CD2 3.82Å; W1054-H1075 VanDerWaalsContact CB-CD2 3.41Å; W1054-H1075 WeakPolarHBondContact CB-CD2 2.8Å; W1054-H1075 AromaticContact CD1-CD2 3.63Å; W1054-H1075 AromaticContact CD1-CE1 3.92Å; W1054-H1075 AromaticContact CD1-CG 3.36Å; W1054-H1075 AromaticContact CD1-ND1 3.58Å; W1054-H1075 AromaticContact CD1-NE2 3.96Å; W1054-H1075 HydrophobicContact CD2-CB 3.74Å; W1054-H1075 HydrophobicContact CE3-CB 4.37Å; W1054-H1075 HydrophobicContact CG-CB 3.79Å; W1054-H1075 AromaticContact CG-CD2 3.5Å; W1054-H1075 AromaticContact CG-CG 3.56Å; W1054-H1075 HydrophobicContact CZ2-CB 4.34Å; W1054-H1075 AromaticContact NE1-CG 3.8Å; W1054-V1084 WeakPolarHBondContact CH2-O 3.49Å; W1054-V1084 WeakPolarHBondContact CZ2-O 3.26Å; W1054-L1086 HydrophobicContact CD2-CB 4.13Å; W1054-L1086 HydrophobicContact CG-CB 4.37Å; W1054-L1086 HydrophobicContact CZ2-CB 4.12Å; W1054-L1086 HydrophobicContact CZ2-CD1 4.38Å; W1054-L1086 HydrophobicContact CZ2-CG 4.13Å; W1054-W1087 HydrophobicContact CB-CE3 4.27Å; W1054-L1103 HydrophobicContact CH2-CD1 4.01Å; W1054-L1103 HydrophobicContact CH2-CD2 3.97Å; W1054-L1103 HydrophobicContact CH2-CG 4.46Å; W1054-L1103 HydrophobicContact CZ3-CD1 4.11Å; W1054-M1107 HydrophobicContact CE3-CE 4.06Å; W1054-M1107 HydrophobicContact CE3-SD 4.05Å; W1054-M1107 HydrophobicContact CZ3-CE 4.26Å; W1054-M1107 HydrophobicContact CZ3-CG 4.28Å; W1054-M1107 HydrophobicContact CZ3-SD 3.62Å
1055	G	89	Confident	85.5	Confident	25 Å²	25	68.8 Å²	68.8	26%	0.258	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	-123.4	-175.1	0	0	0	0	0	109.4	R1053 L1086 R1088	R1053-G1055 PolarHBondContact O-N 3.06Å; G1055-L1086 PolarHBondContact N-O 3.02Å; G1055-R1088 PolarHBondContact O-NE 2.86Å; G1055-R1088 PolarHBondContact O-NH1 3.19Å; G1055-R1088 VanDerWaalsContact O-NH1 3.14Å; G1055-R1088 PolarHBondContact O-NH2 3.38Å; G1055-R1088 VanDerWaalsContact O-NH2 3.15Å
1056	D	87.9	Confident	88	Confident	138 Å²	138	67.2 Å²	67.2	74%	0.738	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	4.5	173.3	-77.3	-49.5	0	0	0	115.7	W1054 R1088	W1054-D1056 PolarHBondContact O-N 2.89Å; D1056-R1088 VanDerWaalsContact CA-NH2 3.33Å; D1056-R1088 PolarHBondContact O-NH2 2.9Å; D1056-R1088 IonicContact OD1-CZ 2.74Å; D1056-R1088 IonicContact OD1-NH1 3.45Å; D1056-R1088 PolarHBondContact OD1-NH1 3.2Å; D1056-R1088 IonicContact OD1-NH2 2.95Å
1057	C	93.4	Very high	89.8	Confident	11 Å²	11	62.7 Å²	62.7	7%	0.074	33%	0.325	C	S	.	.			trans	-61.2	140.9	170.9	-159.2	0	0	0	0	110.9	C1052 W1054 H1070 H1075 R1088	C1052-C1057 HydrophobicContact CB-CB 4.41Å; C1052-C1057 CarbonylContact O-C 3.27Å; W1054-C1057 HydrophobicContact CB-CB 4.49Å; W1054-C1057 WeakPolarHBondContact O-CB 3.29Å; W1054-C1057 PolarHBondContact O-N 3.15Å; C1057-H1070 PolarHBondContact SG-NE2 3.02Å; C1057-H1075 WeakPolarHBondContact CB-NE2 2.92Å; C1057-R1088 PolarHBondContact O-NH2 3.32Å
1058	T	92.7	Very high	91.5	Very high	62 Å²	62	56.9 Å²	56.9	38%	0.38	30%	0.302	S	S	.	.			trans	-144.2	31.5	173.6	66.5	0	0	0	0	109.7	C1052 Q1060 R1088	C1052-T1058 WeakPolarHBondContact O-CA 3.12Å; C1052-T1058 PolarHBondContact O-N 3.14Å; T1058-Q1060 PolarHBondContact O-N 3.36Å; T1058-R1088 VanDerWaalsContact CG2-NH2 3.26Å
1059	L	94.9	Very high	92.2	Very high	60 Å²	60	58.4 Å²	58.4	31%	0.314	30%	0.303	S	S	.	.			trans	-75.9	124.4	177.6	-68.7	177.9	0	0	0	108.7	I945 C1052 F1061	I945-L1059 HydrophobicContact CD1-CD2 4.31Å; C1052-L1059 PolarHBondContact N-O 2.76Å; L1059-F1061 HydrophobicContact CB-CE2 3.65Å; L1059-F1061 HydrophobicContact CB-CZ 3.7Å; L1059-F1061 HydrophobicContact CD1-CZ 4.23Å; L1059-F1061 WeakPolarHBondContact O-CE2 3.45Å
1060	Q	93.1	Very high	92.5	Very high	144 Å²	144	58.8 Å²	58.8	67%	0.673	31%	0.305	S	S	*	.	B	Isolated β-bridge	trans	-97.3	138.1	174.4	-171.8	172.7	7.3	0	0	108.9	T1058	T1058-Q1060 PolarHBondContact O-N 3.36Å
1061	F	93.9	Very high	92.4	Very high	37 Å²	37	57.5 Å²	57.5	16%	0.162	30%	0.297	C	S	.	.			trans	-118.2	154.1	-179.4	-60.5	-86.8	0	0	0	109.9	T1050 C1052 L1059 D1063 E1066 L1067 H1070	T1050-F1061 WeakPolarHBondContact CB-O 3.41Å; T1050-F1061 WeakPolarHBondContact O-CD2 3.4Å; T1050-F1061 PolarHBondContact O-N 3.3Å; T1050-F1061 PolarHBondContact OG1-O 3.49Å; C1052-F1061 HydrophobicContact CB-CE2 4.09Å; L1059-F1061 HydrophobicContact CB-CE2 3.65Å; L1059-F1061 HydrophobicContact CB-CZ 3.7Å; L1059-F1061 HydrophobicContact CD1-CZ 4.23Å; L1059-F1061 WeakPolarHBondContact O-CE2 3.45Å; F1061-D1063 VanDerWaalsContact C-N 3.3Å; F1061-E1066 HydrophobicContact CB-CB 3.99Å; F1061-E1066 HydrophobicContact CD1-CB 3.83Å; F1061-E1066 HydrophobicContact CG-CB 4.16Å; F1061-L1067 HydrophobicContact CB-CB 4.48Å; F1061-L1067 HydrophobicContact CD2-CB 4.01Å; F1061-L1067 HydrophobicContact CD2-CD1 3.97Å; F1061-L1067 HydrophobicContact CE2-CD1 4.11Å; F1061-L1067 HydrophobicContact CG-CB 4.41Å; F1061-H1070 HydrophobicContact CE1-CB 3.96Å; F1061-H1070 HydrophobicContact CE2-CB 4.03Å; F1061-H1070 AromaticContact CE2-CD2 3.41Å; F1061-H1070 VanDerWaalsContact CE2-CD2 3.41Å; F1061-H1070 WeakPolarHBondContact CE2-CD2 3.28Å; F1061-H1070 AromaticContact CE2-CG 3.78Å; F1061-H1070 HydrophobicContact CZ-CB 3.5Å; F1061-H1070 VanDerWaalsContact CZ-CB 3.5Å; F1061-H1070 AromaticContact CZ-CD2 3.43Å; F1061-H1070 VanDerWaalsContact CZ-CD2 3.43Å; F1061-H1070 WeakPolarHBondContact CZ-CD2 3.32Å; F1061-H1070 AromaticContact CZ-CG 3.31Å; F1061-H1070 AromaticContact CZ-ND1 3.94Å
1062	D	88.3	Confident	92.4	Very high	172 Å²	172	58.4 Å²	58.4	92%	0.92	31%	0.305	S	S	*	.	S	Bend	trans	-74.4	-23.4	179.4	-59.2	-56.2	0	0	0	112.2
1063	D	90.6	Very high	92.2	Very high	69 Å²	69	62.2 Å²	62.2	37%	0.369	33%	0.328	S	S	.	.	S	Bend	trans	-140.9	168.8	178.2	75.6	61.1	0	0	0	114.2	F1061 D1065 E1066 L1067	F1061-D1063 VanDerWaalsContact C-N 3.3Å; D1063-D1065 WeakPolarHBondContact OD1-CA 3.08Å; D1063-D1065 WeakPolarHBondContact OD1-CB 3.48Å; D1063-D1065 PolarHBondContact OD1-N 3.36Å; D1063-E1066 PolarHBondContact OD1-N 2.79Å; D1063-L1067 PolarHBondContact O-N 3.47Å
1064	Q	92.1	Very high	92.1	Very high	39 Å²	39	64.6 Å²	64.6	18%	0.182	34%	0.342	C	S	.	.	H	α-helix	trans	-69.5	-34.8	-178.4	-163.5	176.9	41.6	0	0	113.4	V1048 L1067 V1068 T1111 G1112	V1048-Q1064 HydrophobicContact CG1-CB 3.61Å; V1048-Q1064 HydrophobicContact CG1-CG 3.81Å; Q1064-L1067 PolarHBondContact O-N 3.41Å; Q1064-V1068 WeakPolarHBondContact O-CB 3.49Å; Q1064-V1068 VanDerWaalsContact O-CG2 3.27Å; Q1064-V1068 WeakPolarHBondContact O-CG2 3.43Å; Q1064-V1068 PolarHBondContact O-N 3.1Å; Q1064-T1111 PolarHBondContact NE2-O 3.19Å; Q1064-G1112 PolarHBondContact NE2-O 3.3Å
1065	D	91.6	Very high	92.1	Very high	96 Å²	96	65.5 Å²	65.5	51%	0.513	35%	0.347	S	S	.	.	H	α-helix	trans	-75.3	-36.6	-175.1	-76.5	-27.5	0	0	0	110.6	D1063 V1068 K1069	D1063-D1065 WeakPolarHBondContact OD1-CA 3.08Å; D1063-D1065 WeakPolarHBondContact OD1-CB 3.48Å; D1063-D1065 PolarHBondContact OD1-N 3.36Å; D1065-V1068 PolarHBondContact O-N 2.74Å; D1065-K1069 WeakPolarHBondContact O-CB 3.22Å; D1065-K1069 WeakPolarHBondContact O-CD 3.49Å; D1065-K1069 WeakPolarHBondContact O-CE 3.43Å; D1065-K1069 WeakPolarHBondContact O-CG 3.3Å; D1065-K1069 PolarHBondContact O-N 2.87Å
1066	E	93.7	Very high	92.1	Very high	83 Å²	83	64.6 Å²	64.6	39%	0.388	34%	0.336	S	S	.	.	H	α-helix	trans	-60.3	-44.7	167.9	-76	-61.3	118.8	0	0	112	F1061 D1063 V1068 K1069 H1070	F1061-E1066 HydrophobicContact CB-CB 3.99Å; F1061-E1066 HydrophobicContact CD1-CB 3.83Å; F1061-E1066 HydrophobicContact CG-CB 4.16Å; D1063-E1066 PolarHBondContact OD1-N 2.79Å; E1066-V1068 PolarHBondContact O-N 3.11Å; E1066-K1069 PolarHBondContact O-N 2.91Å; E1066-K1069 VanDerWaalsContact OE1-CD 3.26Å; E1066-K1069 WeakPolarHBondContact OE1-CD 3.49Å; E1066-K1069 WeakPolarHBondContact OE1-CE 3.15Å; E1066-K1069 IonicContact OE1-NZ 2.74Å; E1066-K1069 PolarHBondContact OE1-NZ 2.92Å; E1066-H1070 VanDerWaalsContact O-CB 3.32Å; E1066-H1070 WeakPolarHBondContact O-CB 3.27Å; E1066-H1070 PolarHBondContact O-N 3.08Å
1067	L	94.2	Very high	92	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-45.2	172.7	173.4	62.7	0	0	0	111.9	E1049 C1052 F1061 D1063 Q1064 H1070 L1071 W1087 T1111	E1049-L1067 HydrophobicContact CG-CD2 4.2Å; E1049-L1067 WeakPolarHBondContact O-CD2 3.38Å; C1052-L1067 HydrophobicContact CB-CD1 3.49Å; C1052-L1067 VanDerWaalsContact CB-CD1 3.49Å; F1061-L1067 HydrophobicContact CB-CB 4.48Å; F1061-L1067 HydrophobicContact CD2-CB 4.01Å; F1061-L1067 HydrophobicContact CD2-CD1 3.97Å; F1061-L1067 HydrophobicContact CE2-CD1 4.11Å; F1061-L1067 HydrophobicContact CG-CB 4.41Å; D1063-L1067 PolarHBondContact O-N 3.47Å; Q1064-L1067 PolarHBondContact O-N 3.41Å; L1067-H1070 PolarHBondContact O-N 3.34Å; L1067-L1071 HydrophobicContact CD1-CD1 4.04Å; L1067-L1071 HydrophobicContact CD1-CG 4.24Å; L1067-L1071 HydrophobicContact CG-CD1 4.05Å; L1067-L1071 WeakPolarHBondContact O-CB 3.49Å; L1067-L1071 PolarHBondContact O-N 2.8Å; L1067-W1087 HydrophobicContact CD1-CH2 4.38Å; L1067-W1087 HydrophobicContact CD2-CH2 4.23Å; L1067-T1111 HydrophobicContact CD2-CG2 3.88Å; L1067-T1111 HydrophobicContact CG-CG2 4.11Å
1068	V	93.1	Very high	91	Very high	33 Å²	33	62.4 Å²	62.4	20%	0.2	34%	0.343	C	S	.	.	H	α-helix	trans	-65.3	-40.3	179.2	168.2	0	0	0	0	111.5	Q1064 D1065 E1066 S1072 T1111 E1113	Q1064-V1068 WeakPolarHBondContact O-CB 3.49Å; Q1064-V1068 VanDerWaalsContact O-CG2 3.27Å; Q1064-V1068 WeakPolarHBondContact O-CG2 3.43Å; Q1064-V1068 PolarHBondContact O-N 3.1Å; D1065-V1068 PolarHBondContact O-N 2.74Å; E1066-V1068 PolarHBondContact O-N 3.11Å; V1068-S1072 VanDerWaalsContact O-CB 3.26Å; V1068-S1072 WeakPolarHBondContact O-CB 3.16Å; V1068-S1072 PolarHBondContact O-N 2.78Å; V1068-T1111 HydrophobicContact CG2-CG2 3.89Å; V1068-E1113 HydrophobicContact CG2-CB 4.12Å; V1068-E1113 HydrophobicContact CG2-CG 4.18Å
1069	K	93.3	Very high	89.9	Confident	96 Å²	96	61.8 Å²	61.8	42%	0.417	34%	0.338	S	S	.	.	H	α-helix	trans	-59.7	-53.1	172.3	-71.5	159.6	-146.2	146	0	110.4	D1065 E1066 L1071 S1072 T1073	D1065-K1069 WeakPolarHBondContact O-CB 3.22Å; D1065-K1069 WeakPolarHBondContact O-CD 3.49Å; D1065-K1069 WeakPolarHBondContact O-CE 3.43Å; D1065-K1069 WeakPolarHBondContact O-CG 3.3Å; D1065-K1069 PolarHBondContact O-N 2.87Å; E1066-K1069 PolarHBondContact O-N 2.91Å; E1066-K1069 VanDerWaalsContact OE1-CD 3.26Å; E1066-K1069 WeakPolarHBondContact OE1-CD 3.49Å; E1066-K1069 WeakPolarHBondContact OE1-CE 3.15Å; E1066-K1069 IonicContact OE1-NZ 2.74Å; E1066-K1069 PolarHBondContact OE1-NZ 2.92Å; K1069-L1071 PolarHBondContact O-N 3.25Å; K1069-S1072 WeakPolarHBondContact O-CA 3.35Å; K1069-S1072 WeakPolarHBondContact O-CB 3.41Å; K1069-S1072 PolarHBondContact O-N 3.21Å; K1069-S1072 VanDerWaalsContact O-N 3.07Å; K1069-T1073 PolarHBondContact O-N 2.93Å; K1069-T1073 PolarHBondContact O-OG1 3.1Å
1070	H	94.4	Very high	88.4	Confident	20 Å²	20	67.5 Å²	67.5	9%	0.093	36%	0.36	C	S	.	.	H	α-helix	trans	-57.9	-46.7	180	164.7	62.7	0	0	0	112.6	C1052 C1057 F1061 E1066 L1067 S1072 T1073 E1074 H1075	C1052-H1070 VanDerWaalsContact SG-CD2 3.58Å; C1052-H1070 PolarHBondContact SG-NE2 3.45Å; C1057-H1070 PolarHBondContact SG-NE2 3.02Å; F1061-H1070 HydrophobicContact CE1-CB 3.96Å; F1061-H1070 HydrophobicContact CE2-CB 4.03Å; F1061-H1070 AromaticContact CE2-CD2 3.41Å; F1061-H1070 VanDerWaalsContact CE2-CD2 3.41Å; F1061-H1070 WeakPolarHBondContact CE2-CD2 3.28Å; F1061-H1070 AromaticContact CE2-CG 3.78Å; F1061-H1070 HydrophobicContact CZ-CB 3.5Å; F1061-H1070 VanDerWaalsContact CZ-CB 3.5Å; F1061-H1070 AromaticContact CZ-CD2 3.43Å; F1061-H1070 VanDerWaalsContact CZ-CD2 3.43Å; F1061-H1070 WeakPolarHBondContact CZ-CD2 3.32Å; F1061-H1070 AromaticContact CZ-CG 3.31Å; F1061-H1070 AromaticContact CZ-ND1 3.94Å; E1066-H1070 VanDerWaalsContact O-CB 3.32Å; E1066-H1070 WeakPolarHBondContact O-CB 3.27Å; E1066-H1070 PolarHBondContact O-N 3.08Å; L1067-H1070 PolarHBondContact O-N 3.34Å; H1070-S1072 VanDerWaalsContact C-N 3.31Å; H1070-S1072 PolarHBondContact O-N 3.15Å; H1070-T1073 PolarHBondContact O-N 3.2Å; H1070-T1073 PolarHBondContact O-OG1 2.89Å; H1070-E1074 VanDerWaalsContact ND1-CG 3.32Å; H1070-E1074 WeakPolarHBondContact ND1-CG 3.38Å; H1070-E1074 WeakPolarHBondContact O-CB 3.45Å; H1070-E1074 PolarHBondContact O-N 2.81Å; H1070-H1075 AromaticContact CE1-NE2 3.52Å; H1070-H1075 AromaticContact NE2-CD2 3.64Å; H1070-H1075 AromaticContact NE2-NE2 3.24Å; H1070-H1075 PolarHBondContact NE2-NE2 3.38Å
1071	L	92.4	Very high	87.2	Confident	3 Å²	3	70.7 Å²	70.7	2%	0.016	37%	0.372	C	S	.	.	I	π-helix	trans	-57.4	-45.6	172.9	-86.3	166	0	0	0	111.6	W1054 L1067 K1069 H1075 I1076 W1087 M1107 T1111	W1054-L1071 HydrophobicContact CB-CD2 4.16Å; W1054-L1071 HydrophobicContact CD2-CD2 4.35Å; W1054-L1071 HydrophobicContact CE3-CD2 3.82Å; L1067-L1071 HydrophobicContact CD1-CD1 4.04Å; L1067-L1071 HydrophobicContact CD1-CG 4.24Å; L1067-L1071 HydrophobicContact CG-CD1 4.05Å; L1067-L1071 WeakPolarHBondContact O-CB 3.49Å; L1067-L1071 PolarHBondContact O-N 2.8Å; K1069-L1071 PolarHBondContact O-N 3.25Å; L1071-H1075 HydrophobicContact CD2-CB 4.41Å; L1071-H1075 WeakPolarHBondContact O-CB 2.99Å; L1071-H1075 PolarHBondContact O-N 3.04Å; L1071-I1076 HydrophobicContact CB-CD1 4.49Å; L1071-I1076 WeakPolarHBondContact O-CB 3.4Å; L1071-I1076 VanDerWaalsContact O-CG1 3.29Å; L1071-I1076 WeakPolarHBondContact O-CG1 3.38Å; L1071-I1076 PolarHBondContact O-N 3.3Å; L1071-W1087 HydrophobicContact CD1-CZ3 3.92Å; L1071-W1087 HydrophobicContact CD2-CE3 4.19Å; L1071-W1087 HydrophobicContact CD2-CZ3 3.99Å; L1071-W1087 HydrophobicContact CG-CZ3 4.34Å; L1071-M1107 HydrophobicContact CD1-CE 4.06Å; L1071-M1107 HydrophobicContact CD2-CE 3.89Å; L1071-T1111 HydrophobicContact CD1-CG2 3.34Å
1072	S	91.3	Very high	86.5	Confident	56 Å²	56	71.6 Å²	71.6	39%	0.392	38%	0.383	S	S	.	.	I	π-helix	trans	-61.8	-46.1	179.6	-167.1	0	0	0	0	112.3	V1068 K1069 H1070 A1077	V1068-S1072 VanDerWaalsContact O-CB 3.26Å; V1068-S1072 WeakPolarHBondContact O-CB 3.16Å; V1068-S1072 PolarHBondContact O-N 2.78Å; K1069-S1072 WeakPolarHBondContact O-CA 3.35Å; K1069-S1072 WeakPolarHBondContact O-CB 3.41Å; K1069-S1072 PolarHBondContact O-N 3.21Å; K1069-S1072 VanDerWaalsContact O-N 3.07Å; H1070-S1072 VanDerWaalsContact C-N 3.31Å; H1070-S1072 PolarHBondContact O-N 3.15Å; S1072-A1077 WeakPolarHBondContact O-CB 3.47Å; S1072-A1077 PolarHBondContact O-N 3.18Å
1073	T	91.9	Very high	86.6	Confident	80 Å²	80	65.8 Å²	65.8	49%	0.491	35%	0.349	S	S	.	.	I	π-helix	trans	-80	-56.7	-176.3	62.8	0	0	0	0	113.2	K1069 H1070	K1069-T1073 PolarHBondContact O-N 2.93Å; K1069-T1073 PolarHBondContact O-OG1 3.1Å; H1070-T1073 PolarHBondContact O-N 3.2Å; H1070-T1073 PolarHBondContact O-OG1 2.89Å
1074	E	90.6	Very high	86.5	Confident	122 Å²	122	63.7 Å²	63.7	57%	0.57	34%	0.339	S	S	*	.	I	π-helix	trans	-81	-27.8	-167.9	-57.5	-46.1	112.1	0	0	112.9	H1070	H1070-E1074 VanDerWaalsContact ND1-CG 3.32Å; H1070-E1074 WeakPolarHBondContact ND1-CG 3.38Å; H1070-E1074 WeakPolarHBondContact O-CB 3.45Å; H1070-E1074 PolarHBondContact O-N 2.81Å
1075	H	91.1	Very high	86.6	Confident	30 Å²	30	61.8 Å²	61.8	14%	0.139	33%	0.33	C	S	.	.	I	π-helix	trans	-117.4	-41.7	-165.7	-66.2	-25.7	0	0	0	113.5	C1052 W1054 C1057 H1070 L1071 N1079	C1052-H1075 VanDerWaalsContact SG-CD2 3.57Å; W1054-H1075 VanDerWaalsContact CB-CD2 3.41Å; W1054-H1075 WeakPolarHBondContact CB-CD2 2.8Å; W1054-H1075 AromaticContact CD1-CD2 3.63Å; W1054-H1075 AromaticContact CD1-CE1 3.92Å; W1054-H1075 AromaticContact CD1-CG 3.36Å; W1054-H1075 AromaticContact CD1-ND1 3.58Å; W1054-H1075 AromaticContact CD1-NE2 3.96Å; W1054-H1075 HydrophobicContact CD2-CB 3.74Å; W1054-H1075 HydrophobicContact CE3-CB 4.37Å; W1054-H1075 HydrophobicContact CG-CB 3.79Å; W1054-H1075 AromaticContact CG-CD2 3.5Å; W1054-H1075 AromaticContact CG-CG 3.56Å; W1054-H1075 HydrophobicContact CZ2-CB 4.34Å; W1054-H1075 AromaticContact NE1-CG 3.8Å; C1057-H1075 WeakPolarHBondContact CB-NE2 2.92Å; H1070-H1075 AromaticContact CE1-NE2 3.52Å; H1070-H1075 AromaticContact NE2-CD2 3.64Å; H1070-H1075 AromaticContact NE2-NE2 3.24Å; H1070-H1075 PolarHBondContact NE2-NE2 3.38Å; L1071-H1075 HydrophobicContact CD2-CB 4.41Å; L1071-H1075 WeakPolarHBondContact O-CB 2.99Å; L1071-H1075 PolarHBondContact O-N 3.04Å; H1075-N1079 PolarHBondContact O-ND2 2.47Å
1076	I	89.4	Confident	86.7	Confident	6 Å²	6	60.9 Å²	60.9	3%	0.031	33%	0.325	C	S	.	.	I	π-helix	trans	-89.3	-47.9	-178.9	-58.6	171.7	0	0	0	111.4	L1071 G1078 N1079 Q1100 L1103 V1104 M1107	L1071-I1076 HydrophobicContact CB-CD1 4.49Å; L1071-I1076 WeakPolarHBondContact O-CB 3.4Å; L1071-I1076 VanDerWaalsContact O-CG1 3.29Å; L1071-I1076 WeakPolarHBondContact O-CG1 3.38Å; L1071-I1076 PolarHBondContact O-N 3.3Å; I1076-G1078 PolarHBondContact O-N 2.69Å; I1076-N1079 PolarHBondContact O-N 2.6Å; I1076-Q1100 HydrophobicContact CG2-CG 3.58Å; I1076-L1103 HydrophobicContact CG1-CD2 4.3Å; I1076-L1103 HydrophobicContact CG1-CG 4.45Å; I1076-L1103 HydrophobicContact CG2-CD2 4.17Å; I1076-V1104 HydrophobicContact CD1-CG2 4.03Å; I1076-V1104 HydrophobicContact CG2-CG2 3.95Å; I1076-M1107 HydrophobicContact CD1-CG 3.89Å
1077	A	85.8	Confident	86.7	Confident	45 Å²	45	57.6 Å²	57.6	37%	0.372	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-28	-177	0	0	0	0	0	114	S1072	S1072-A1077 WeakPolarHBondContact O-CB 3.47Å; S1072-A1077 PolarHBondContact O-N 3.18Å
1078	G	73.5	Confident	86.4	Confident	57 Å²	57	61.9 Å²	61.9	59%	0.588	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-34.2	173.8	0	0	0	0	0	113.9	I1076 K1080	I1076-G1078 PolarHBondContact O-N 2.69Å; G1078-K1080 PolarHBondContact O-N 3.23Å
1079	N	68.2	Low	86	Confident	50 Å²	50	67.1 Å²	67.1	27%	0.267	35%	0.347	S	S	.	.			trans	-80.7	48.8	-169.2	-94.4	-53	0	0	0	115.1	H1075 I1076 K1081 S1082	H1075-N1079 PolarHBondContact O-ND2 2.47Å; I1076-N1079 PolarHBondContact O-N 2.6Å; N1079-K1081 PolarHBondContact O-N 3.31Å; N1079-S1082 PolarHBondContact O-N 3.43Å
1080	K	64.5	Low	85.9	Confident	180 Å²	180	63.2 Å²	63.2	78%	0.783	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-14.6	-178.7	-63.9	179.2	-177.7	173.1	0	115.2	G1078	G1078-K1080 PolarHBondContact O-N 3.23Å
1081	K	66.7	Low	85.4	Confident	211 Å²	211	64.6 Å²	64.6	92%	0.917	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-23.2	179.2	-69.2	-173	177.4	-177.5	0	114	N1079	N1079-K1081 PolarHBondContact O-N 3.31Å
1082	S	80.2	Confident	84.8	Confident	56 Å²	56	69.6 Å²	69.6	39%	0.392	36%	0.36	S	S	.	.			trans	-161.1	111.4	-175.1	53.3	0	0	0	0	111.7	N1079 V1084	N1079-S1082 PolarHBondContact O-N 3.43Å; S1082-V1084 PolarHBondContact O-N 3Å
1083	F	89.5	Confident	83.8	Confident	50 Å²	50	67.9 Å²	67.9	22%	0.219	35%	0.352	C	S	.	.			trans	-79.7	59.9	174.1	-47.7	-60.3	0	0	0	110.8	F1097 Q1100 L1103	F1083-F1097 HydrophobicContact CB-CB 4.18Å; F1083-F1097 WeakPolarHBondContact O-CB 3.34Å; F1083-F1097 WeakPolarHBondContact O-CD2 3.07Å; F1083-F1097 PolarHBondContact O-N 3.2Å; F1083-Q1100 HydrophobicContact CD1-CB 3.85Å; F1083-Q1100 HydrophobicContact CD1-CG 4.19Å; F1083-Q1100 HydrophobicContact CE1-CB 3.54Å; F1083-Q1100 HydrophobicContact CE1-CG 4Å; F1083-Q1100 HydrophobicContact CZ-CB 3.95Å; F1083-L1103 HydrophobicContact CB-CB 4.26Å; F1083-L1103 HydrophobicContact CB-CD2 3.99Å
1084	V	90.1	Very high	82.9	Confident	24 Å²	24	68.5 Å²	68.5	15%	0.145	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-89.3	136.9	172.4	-179.7	0	0	0	0	108.1	W1054 S1082 L1086 G1093 P1096	W1054-V1084 WeakPolarHBondContact CH2-O 3.49Å; W1054-V1084 WeakPolarHBondContact CZ2-O 3.26Å; S1082-V1084 PolarHBondContact O-N 3Å; V1084-L1086 HydrophobicContact CB-CD2 4.44Å; V1084-L1086 HydrophobicContact CG1-CD2 3.83Å; V1084-L1086 HydrophobicContact CG1-CG 4.49Å; V1084-G1093 WeakPolarHBondContact CG1-O 3.44Å; V1084-P1096 HydrophobicContact CG2-CB 3.81Å
1085	C	93.9	Very high	82.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.346	C	S	.	.			trans	-75.8	122.4	166.3	-179.4	0	0	0	0	108.3	W1087 G1093 F1097 L1103 H1106 M1107 H1110	C1085-W1087 VanDerWaalsContact SG-CB 3.54Å; C1085-G1093 CarbonylContact O-C 3.59Å; C1085-G1093 WeakPolarHBondContact O-CA 3.39Å; C1085-F1097 HydrophobicContact CB-CE2 3.92Å; C1085-L1103 HydrophobicContact CB-CD1 3.81Å; C1085-H1106 PolarHBondContact SG-NE2 3.34Å; C1085-M1107 PolarHBondContact SG-SD 3.34Å; C1085-H1110 PolarHBondContact SG-NE2 2.66Å
1086	L	92.7	Very high	82.5	Confident	77 Å²	77	68.8 Å²	68.8	40%	0.403	36%	0.358	S	S	.	.			trans	-104.5	14.1	176.6	-60.6	175.6	0	0	0	112.6	W1054 G1055 V1084 R1088	W1054-L1086 HydrophobicContact CD2-CB 4.13Å; W1054-L1086 HydrophobicContact CG-CB 4.37Å; W1054-L1086 HydrophobicContact CZ2-CB 4.12Å; W1054-L1086 HydrophobicContact CZ2-CD1 4.38Å; W1054-L1086 HydrophobicContact CZ2-CG 4.13Å; G1055-L1086 PolarHBondContact N-O 3.02Å; V1084-L1086 HydrophobicContact CB-CD2 4.44Å; V1084-L1086 HydrophobicContact CG1-CD2 3.83Å; V1084-L1086 HydrophobicContact CG1-CG 4.49Å; L1086-R1088 PolarHBondContact O-N 3.13Å
1087	W	93.2	Very high	82.6	Confident	13 Å²	13	69.9 Å²	69.9	5%	0.049	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-60.8	124.4	177.9	-164.6	-92	0	0	0	110.8	E1049 T1051 R1053 W1054 L1067 L1071 C1085 C1090 M1107 H1110	E1049-W1087 HydrophobicContact CG-CH2 4.06Å; E1049-W1087 HydrophobicContact CG-CZ2 3.7Å; T1051-W1087 WeakPolarHBondContact O-CH2 3.17Å; T1051-W1087 WeakPolarHBondContact O-CZ2 3.48Å; R1053-W1087 HydrophobicContact CB-CD2 3.97Å; R1053-W1087 HydrophobicContact CB-CE3 4.39Å; R1053-W1087 HydrophobicContact CB-CG 4.45Å; R1053-W1087 HydrophobicContact CB-CH2 4.36Å; R1053-W1087 HydrophobicContact CB-CZ2 3.85Å; R1053-W1087 HydrophobicContact CG-CH2 4.32Å; R1053-W1087 HydrophobicContact CG-CZ2 3.68Å; R1053-W1087 VanDerWaalsContact N-CH2 3.31Å; R1053-W1087 VanDerWaalsContact N-CZ3 3.3Å; R1053-W1087 WeakPolarHBondContact O-CA 3.49Å; W1054-W1087 HydrophobicContact CB-CE3 4.27Å; L1067-W1087 HydrophobicContact CD1-CH2 4.38Å; L1067-W1087 HydrophobicContact CD2-CH2 4.23Å; L1071-W1087 HydrophobicContact CD1-CZ3 3.92Å; L1071-W1087 HydrophobicContact CD2-CE3 4.19Å; L1071-W1087 HydrophobicContact CD2-CZ3 3.99Å; L1071-W1087 HydrophobicContact CG-CZ3 4.34Å; C1085-W1087 VanDerWaalsContact SG-CB 3.54Å; W1087-C1090 HydrophobicContact CB-CB 4.16Å; W1087-C1090 WeakPolarHBondContact O-CB 3.32Å; W1087-C1090 PolarHBondContact O-N 2.82Å; W1087-C1090 VanDerWaalsContact O-N 3.11Å; W1087-M1107 HydrophobicContact CB-CE 4.18Å; W1087-M1107 HydrophobicContact CD2-CE 3.93Å; W1087-M1107 HydrophobicContact CE3-CE 3.46Å; W1087-M1107 VanDerWaalsContact CE3-CE 3.46Å; W1087-M1107 HydrophobicContact CG-CE 4.26Å; W1087-M1107 HydrophobicContact CZ3-CE 4.11Å; W1087-H1110 AromaticContact CD1-CE1 3.98Å; W1087-H1110 AromaticContact CD1-CG 3.57Å; W1087-H1110 AromaticContact CD1-ND1 3.25Å; W1087-H1110 HydrophobicContact CD2-CB 3.9Å; W1087-H1110 HydrophobicContact CE3-CB 4.45Å; W1087-H1110 HydrophobicContact CG-CB 4.11Å; W1087-H1110 AromaticContact CG-CD2 3.94Å; W1087-H1110 AromaticContact CG-CG 3.69Å; W1087-H1110 AromaticContact CG-ND1 3.83Å; W1087-H1110 HydrophobicContact CZ2-CB 4.24Å; W1087-H1110 AromaticContact NE1-CG 3.87Å; W1087-H1110 AromaticContact NE1-ND1 3.63Å
1088	R	88.2	Confident	82.8	Confident	90 Å²	90	73 Å²	73	34%	0.34	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	148	174.4	-66.1	-175	-120.6	-110.6	3.1	109.9	R1053 G1055 D1056 C1057 T1058 L1086 C1090	R1053-R1088 HydrophobicContact CB-CB 4.18Å; R1053-R1088 PolarHBondContact O-N 3.05Å; G1055-R1088 PolarHBondContact O-NE 2.86Å; G1055-R1088 PolarHBondContact O-NH1 3.19Å; G1055-R1088 VanDerWaalsContact O-NH1 3.14Å; G1055-R1088 PolarHBondContact O-NH2 3.38Å; G1055-R1088 VanDerWaalsContact O-NH2 3.15Å; D1056-R1088 VanDerWaalsContact CA-NH2 3.33Å; D1056-R1088 PolarHBondContact O-NH2 2.9Å; D1056-R1088 IonicContact OD1-CZ 2.74Å; D1056-R1088 IonicContact OD1-NH1 3.45Å; D1056-R1088 PolarHBondContact OD1-NH1 3.2Å; D1056-R1088 IonicContact OD1-NH2 2.95Å; C1057-R1088 PolarHBondContact O-NH2 3.32Å; T1058-R1088 VanDerWaalsContact CG2-NH2 3.26Å; L1086-R1088 PolarHBondContact O-N 3.13Å; R1088-C1090 PolarHBondContact O-N 2.92Å; R1088-C1090 VanDerWaalsContact O-N 3.09Å
1089	E	85	Confident	83.6	Confident	144 Å²	144	71.5 Å²	71.5	67%	0.673	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	-1.6	-174.2	-51.4	135.7	-108.1	0	0	114.9	R1053 V1091	R1053-E1089 IonicContact CZ-OE1 2.75Å; R1053-E1089 IonicContact CZ-OE2 2.93Å; R1053-E1089 IonicContact NH1-OE1 2.87Å; R1053-E1089 PolarHBondContact NH1-OE1 2.88Å; R1053-E1089 IonicContact NH1-OE2 2.95Å; R1053-E1089 PolarHBondContact NH1-OE2 2.93Å; E1089-V1091 PolarHBondContact O-N 3.19Å
1090	C	90.9	Very high	84.7	Confident	14 Å²	14	73.1 Å²	73.1	10%	0.095	36%	0.356	C	S	.	.			trans	-77.1	117.9	173.4	-171.3	0	0	0	0	112	W1087 R1088 R1092 G1093 H1106 H1110	W1087-C1090 HydrophobicContact CB-CB 4.16Å; W1087-C1090 WeakPolarHBondContact O-CB 3.32Å; W1087-C1090 PolarHBondContact O-N 2.82Å; W1087-C1090 VanDerWaalsContact O-N 3.11Å; R1088-C1090 PolarHBondContact O-N 2.92Å; R1088-C1090 VanDerWaalsContact O-N 3.09Å; C1090-R1092 PolarHBondContact O-N 3.38Å; C1090-R1092 PolarHBondContact SG-N 3.41Å; C1090-R1092 VanDerWaalsContact SG-N 3.37Å; C1090-G1093 VanDerWaalsContact O-CA 3.3Å; C1090-G1093 WeakPolarHBondContact O-CA 3.33Å; C1090-G1093 PolarHBondContact O-N 3.39Å; C1090-H1106 VanDerWaalsContact SG-CE1 3.58Å; C1090-H1106 PolarHBondContact SG-NE2 3.42Å; C1090-H1110 WeakPolarHBondContact CA-CE1 3.32Å; C1090-H1110 WeakPolarHBondContact CB-CE1 3.24Å; C1090-H1110 WeakPolarHBondContact CB-NE2 3.46Å; C1090-H1110 PolarHBondContact SG-CE1 3.03Å; C1090-H1110 PolarHBondContact SG-NE2 3.3Å
1091	V	84.4	Confident	86	Confident	48 Å²	48	71.6 Å²	71.6	29%	0.291	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-19.1	173.9	-176.6	0	0	0	0	112.8	D1029 E1089 G1093	D1029-V1091 HydrophobicContact CB-CB 3.86Å; D1029-V1091 HydrophobicContact CB-CG1 3.97Å; D1029-V1091 HydrophobicContact CB-CG2 3.78Å; D1029-V1091 WeakPolarHBondContact OD2-CG2 3.45Å; E1089-V1091 PolarHBondContact O-N 3.19Å; V1091-G1093 VanDerWaalsContact C-N 3.26Å; V1091-G1093 PolarHBondContact O-N 3.03Å
1092	R	80	Confident	87.3	Confident	109 Å²	109	64.6 Å²	64.6	41%	0.411	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	7.8	167.8	-63.7	-171	174.9	-172.2	-0.9	114	C1090 T1094 R1095 F1097	C1090-R1092 PolarHBondContact O-N 3.38Å; C1090-R1092 PolarHBondContact SG-N 3.41Å; C1090-R1092 VanDerWaalsContact SG-N 3.37Å; R1092-T1094 PolarHBondContact O-N 3.18Å; R1092-R1095 PolarHBondContact O-N 2.92Å; R1092-F1097 HydrophobicContact CB-CZ 4.43Å
1093	G	69.8	Low	88	Confident	20 Å²	20	62 Å²	62	21%	0.206	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-13.3	-173.4	0	0	0	0	0	116.6	V1084 C1085 C1090 V1091	V1084-G1093 WeakPolarHBondContact CG1-O 3.44Å; C1085-G1093 CarbonylContact O-C 3.59Å; C1085-G1093 WeakPolarHBondContact O-CA 3.39Å; C1090-G1093 VanDerWaalsContact O-CA 3.3Å; C1090-G1093 WeakPolarHBondContact O-CA 3.33Å; C1090-G1093 PolarHBondContact O-N 3.39Å; V1091-G1093 VanDerWaalsContact C-N 3.26Å; V1091-G1093 PolarHBondContact O-N 3.03Å
1094	T	72.7	Confident	88.2	Confident	93 Å²	93	61.8 Å²	61.8	57%	0.571	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	-5.2	-179.8	55.8	0	0	0	0	113.9	R1092	R1092-T1094 PolarHBondContact O-N 3.18Å
1095	R	84.8	Confident	88.4	Confident	97 Å²	97	62.9 Å²	62.9	37%	0.366	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-102	116.4	-173.4	-70	-179.5	178.4	163.3	0.6	110.7	D1030 R1092	D1030-R1095 IonicContact OD2-CZ 2.69Å; D1030-R1095 IonicContact OD2-NH1 2.66Å; D1030-R1095 PolarHBondContact OD2-NH1 3.34Å; D1030-R1095 IonicContact OD2-NH2 2.6Å; R1092-R1095 PolarHBondContact O-N 2.92Å
1096	P	88.9	Confident	88.3	Confident	61 Å²	61	63.9 Å²	63.9	40%	0.396	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-69.7	133.7	177.8	27.2	-33.4	0	0	0	111.9	V1084	V1084-P1096 HydrophobicContact CG2-CB 3.81Å
1097	F	91.8	Very high	88.4	Confident	29 Å²	29	60.5 Å²	60.5	13%	0.127	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-75.5	146.4	169.1	-68.2	-93.2	0	0	0	110.4	F1083 C1085 R1092 A1099 M1102 L1103 H1106	F1083-F1097 HydrophobicContact CB-CB 4.18Å; F1083-F1097 WeakPolarHBondContact O-CB 3.34Å; F1083-F1097 WeakPolarHBondContact O-CD2 3.07Å; F1083-F1097 PolarHBondContact O-N 3.2Å; C1085-F1097 HydrophobicContact CB-CE2 3.92Å; R1092-F1097 HydrophobicContact CB-CZ 4.43Å; F1097-A1099 PolarHBondContact O-N 2.33Å; F1097-M1102 HydrophobicContact CB-CB 4.12Å; F1097-M1102 HydrophobicContact CD1-CB 3.86Å; F1097-M1102 HydrophobicContact CG-CB 4.39Å; F1097-L1103 HydrophobicContact CB-CB 4.28Å; F1097-L1103 HydrophobicContact CD2-CB 4.21Å; F1097-L1103 HydrophobicContact CD2-CD1 4Å; F1097-L1103 HydrophobicContact CE2-CD1 4.16Å; F1097-L1103 HydrophobicContact CG-CB 4.25Å; F1097-H1106 HydrophobicContact CE1-CB 3.67Å; F1097-H1106 AromaticContact CE1-CG 3.9Å; F1097-H1106 HydrophobicContact CE2-CB 4.33Å; F1097-H1106 AromaticContact CE2-CD2 3.58Å; F1097-H1106 AromaticContact CE2-CG 3.99Å; F1097-H1106 HydrophobicContact CZ-CB 3.56Å; F1097-H1106 AromaticContact CZ-CD2 3.34Å; F1097-H1106 WeakPolarHBondContact CZ-CD2 3.32Å; F1097-H1106 AromaticContact CZ-CG 3.27Å; F1097-H1106 AromaticContact CZ-ND1 3.85Å; F1097-H1106 AromaticContact CZ-NE2 3.92Å
1098	K	89.1	Confident	88.4	Confident	111 Å²	111	62 Å²	62	48%	0.483	30%	0.301	S	S	.	.	S	Bend	trans	-63.3	-26.6	-178.9	-70.3	-171	169.3	-160	0	113.9	L521 S522 M1102	L521-K1098 HydrophobicContact CD1-CG 3.9Å; L521-K1098 HydrophobicContact CD2-CG 4.1Å; S522-K1098 WeakPolarHBondContact OG-CE 3.4Å; S522-K1098 PolarHBondContact OG-NZ 3.35Å; K1098-M1102 HydrophobicContact CB-CE 4.32Å; K1098-M1102 HydrophobicContact CB-SD 3.92Å
1099	A	90.8	Very high	88.6	Confident	25 Å²	25	64.7 Å²	64.7	21%	0.207	31%	0.311	C	S	.	.	S	Bend	trans	-154.3	153.2	-175.2	0	0	0	0	0	111.8	F1097 Y1101 M1102 L1103	F1097-A1099 PolarHBondContact O-N 2.33Å; A1099-Y1101 VanDerWaalsContact C-N 3.25Å; A1099-Y1101 HydrophobicContact CB-CD1 3.56Å; A1099-Y1101 HydrophobicContact CB-CE1 3.53Å; A1099-Y1101 PolarHBondContact O-N 3.44Å; A1099-M1102 WeakPolarHBondContact O-CB 3.36Å; A1099-M1102 PolarHBondContact O-N 3.11Å; A1099-L1103 PolarHBondContact O-N 2.92Å
1100	Q	92.7	Very high	89	Confident	84 Å²	84	59.6 Å²	59.6	39%	0.393	29%	0.287	S	S	.	.	H	α-helix	trans	-52.2	-39.9	179.8	-165	-179.9	-11.3	0	0	113.1	I1076 F1083 M1102 L1103 V1104	I1076-Q1100 HydrophobicContact CG2-CG 3.58Å; F1083-Q1100 HydrophobicContact CD1-CB 3.85Å; F1083-Q1100 HydrophobicContact CD1-CG 4.19Å; F1083-Q1100 HydrophobicContact CE1-CB 3.54Å; F1083-Q1100 HydrophobicContact CE1-CG 4Å; F1083-Q1100 HydrophobicContact CZ-CB 3.95Å; Q1100-M1102 VanDerWaalsContact C-N 3.31Å; Q1100-M1102 PolarHBondContact O-N 2.84Å; Q1100-L1103 WeakPolarHBondContact O-CB 3.26Å; Q1100-L1103 PolarHBondContact O-N 3.28Å; Q1100-V1104 WeakPolarHBondContact O-CG2 3.15Å; Q1100-V1104 PolarHBondContact O-N 3.42Å
1101	Y	91.4	Very high	89.1	Confident	148 Å²	148	59 Å²	59	58%	0.58	28%	0.283	S	S	*	.	H	α-helix	trans	-66.5	-31.8	-179.2	81.1	-90.9	0	0	0	112.9	A1099 L1103 V1104 V1105	A1099-Y1101 VanDerWaalsContact C-N 3.25Å; A1099-Y1101 HydrophobicContact CB-CD1 3.56Å; A1099-Y1101 HydrophobicContact CB-CE1 3.53Å; A1099-Y1101 PolarHBondContact O-N 3.44Å; Y1101-L1103 VanDerWaalsContact C-N 3.35Å; Y1101-V1104 PolarHBondContact O-N 3.09Å; Y1101-V1105 WeakPolarHBondContact O-CB 3.48Å; Y1101-V1105 WeakPolarHBondContact O-CG2 3.44Å; Y1101-V1105 PolarHBondContact O-N 3.18Å
1102	M	93.6	Very high	89.5	Confident	64 Å²	64	57.8 Å²	57.8	32%	0.315	28%	0.28	S	S	.	.	H	α-helix	trans	-69.2	-36.9	175.1	-63.9	-175.4	175	0	0	111	F1097 K1098 A1099 Q1100 H1106	F1097-M1102 HydrophobicContact CB-CB 4.12Å; F1097-M1102 HydrophobicContact CD1-CB 3.86Å; F1097-M1102 HydrophobicContact CG-CB 4.39Å; K1098-M1102 HydrophobicContact CB-CE 4.32Å; K1098-M1102 HydrophobicContact CB-SD 3.92Å; A1099-M1102 WeakPolarHBondContact O-CB 3.36Å; A1099-M1102 PolarHBondContact O-N 3.11Å; Q1100-M1102 VanDerWaalsContact C-N 3.31Å; Q1100-M1102 PolarHBondContact O-N 2.84Å; M1102-H1106 VanDerWaalsContact O-CB 3.28Å; M1102-H1106 WeakPolarHBondContact O-CB 3.35Å; M1102-H1106 PolarHBondContact O-N 3.1Å
1103	L	94.5	Very high	90.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-44.4	172.4	173.1	61	0	0	0	111.2	W1054 I1076 F1083 C1085 F1097 A1099 Q1100 Y1101 H1106 M1107	W1054-L1103 HydrophobicContact CH2-CD1 4.01Å; W1054-L1103 HydrophobicContact CH2-CD2 3.97Å; W1054-L1103 HydrophobicContact CH2-CG 4.46Å; W1054-L1103 HydrophobicContact CZ3-CD1 4.11Å; I1076-L1103 HydrophobicContact CG1-CD2 4.3Å; I1076-L1103 HydrophobicContact CG1-CG 4.45Å; I1076-L1103 HydrophobicContact CG2-CD2 4.17Å; F1083-L1103 HydrophobicContact CB-CB 4.26Å; F1083-L1103 HydrophobicContact CB-CD2 3.99Å; C1085-L1103 HydrophobicContact CB-CD1 3.81Å; F1097-L1103 HydrophobicContact CB-CB 4.28Å; F1097-L1103 HydrophobicContact CD2-CB 4.21Å; F1097-L1103 HydrophobicContact CD2-CD1 4Å; F1097-L1103 HydrophobicContact CE2-CD1 4.16Å; F1097-L1103 HydrophobicContact CG-CB 4.25Å; A1099-L1103 PolarHBondContact O-N 2.92Å; Q1100-L1103 WeakPolarHBondContact O-CB 3.26Å; Q1100-L1103 PolarHBondContact O-N 3.28Å; Y1101-L1103 VanDerWaalsContact C-N 3.35Å; L1103-H1106 CarbonylContact O-C 3.41Å; L1103-H1106 WeakPolarHBondContact O-CB 3.4Å; L1103-H1106 PolarHBondContact O-N 3.37Å; L1103-M1107 HydrophobicContact CD1-CG 4.26Å; L1103-M1107 HydrophobicContact CD1-SD 4.23Å; L1103-M1107 WeakPolarHBondContact O-CG 3.44Å; L1103-M1107 PolarHBondContact O-N 3.02Å
1104	V	93.7	Very high	91.3	Very high	47 Å²	47	56.1 Å²	56.1	29%	0.285	27%	0.27	S	S	.	.	H	α-helix	trans	-58.8	-49.8	174.5	173.1	0	0	0	0	111.2	I1076 Q1100 Y1101 H1106 M1107 R1108	I1076-V1104 HydrophobicContact CD1-CG2 4.03Å; I1076-V1104 HydrophobicContact CG2-CG2 3.95Å; Q1100-V1104 WeakPolarHBondContact O-CG2 3.15Å; Q1100-V1104 PolarHBondContact O-N 3.42Å; Y1101-V1104 PolarHBondContact O-N 3.09Å; V1104-H1106 PolarHBondContact O-N 3.11Å; V1104-M1107 PolarHBondContact O-N 2.76Å; V1104-M1107 VanDerWaalsContact O-N 3.1Å; V1104-R1108 PolarHBondContact O-N 2.5Å
1105	V	93.7	Very high	92.2	Very high	47 Å²	47	54.7 Å²	54.7	29%	0.285	26%	0.262	S	S	.	.	H	α-helix	trans	-63.6	-28.9	177.5	170.7	0	0	0	0	112.1	Y1101 R1129	Y1101-V1105 WeakPolarHBondContact O-CB 3.48Å; Y1101-V1105 WeakPolarHBondContact O-CG2 3.44Å; Y1101-V1105 PolarHBondContact O-N 3.18Å; V1105-R1129 HydrophobicContact CG1-CG 3.98Å
1106	H	93.2	Very high	92.7	Very high	20 Å²	20	52.2 Å²	52.2	9%	0.093	26%	0.255	C	S	.	.	H	α-helix	trans	-72.9	-39.6	171.1	169.8	63.1	0	0	0	112.8	C1085 C1090 F1097 M1102 L1103 V1104 R1108 R1109 H1110	C1085-H1106 PolarHBondContact SG-NE2 3.34Å; C1090-H1106 VanDerWaalsContact SG-CE1 3.58Å; C1090-H1106 PolarHBondContact SG-NE2 3.42Å; F1097-H1106 HydrophobicContact CE1-CB 3.67Å; F1097-H1106 AromaticContact CE1-CG 3.9Å; F1097-H1106 HydrophobicContact CE2-CB 4.33Å; F1097-H1106 AromaticContact CE2-CD2 3.58Å; F1097-H1106 AromaticContact CE2-CG 3.99Å; F1097-H1106 HydrophobicContact CZ-CB 3.56Å; F1097-H1106 AromaticContact CZ-CD2 3.34Å; F1097-H1106 WeakPolarHBondContact CZ-CD2 3.32Å; F1097-H1106 AromaticContact CZ-CG 3.27Å; F1097-H1106 AromaticContact CZ-ND1 3.85Å; F1097-H1106 AromaticContact CZ-NE2 3.92Å; M1102-H1106 VanDerWaalsContact O-CB 3.28Å; M1102-H1106 WeakPolarHBondContact O-CB 3.35Å; M1102-H1106 PolarHBondContact O-N 3.1Å; L1103-H1106 CarbonylContact O-C 3.41Å; L1103-H1106 WeakPolarHBondContact O-CB 3.4Å; L1103-H1106 PolarHBondContact O-N 3.37Å; V1104-H1106 PolarHBondContact O-N 3.11Å; H1106-R1108 PolarHBondContact O-N 3.49Å; H1106-R1108 VanDerWaalsContact O-N 3.15Å; H1106-R1109 WeakPolarHBondContact O-CB 3.44Å; H1106-R1109 PolarHBondContact O-N 2.6Å; H1106-H1110 AromaticContact CD2-NE2 3.44Å; H1106-H1110 PolarHBondContact CD2-NE2 2.92Å; H1106-H1110 AromaticContact CE1-NE2 2.76Å; H1106-H1110 PolarHBondContact CE1-NE2 2.93Å; H1106-H1110 AromaticContact ND1-NE2 3.9Å; H1106-H1110 AromaticContact NE2-CD2 3.72Å; H1106-H1110 AromaticContact NE2-NE2 2.33Å; H1106-H1110 PolarHBondContact NE2-NE2 2.92Å
1107	M	93.7	Very high	92.8	Very high	7 Å²	7	53.8 Å²	53.8	3%	0.034	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-23.7	178.2	-70.6	-41.8	-61	0	0	113.2	W1054 L1071 I1076 C1085 W1087 L1103 V1104 R1109 H1110 T1111	W1054-M1107 HydrophobicContact CE3-CE 4.06Å; W1054-M1107 HydrophobicContact CE3-SD 4.05Å; W1054-M1107 HydrophobicContact CZ3-CE 4.26Å; W1054-M1107 HydrophobicContact CZ3-CG 4.28Å; W1054-M1107 HydrophobicContact CZ3-SD 3.62Å; L1071-M1107 HydrophobicContact CD1-CE 4.06Å; L1071-M1107 HydrophobicContact CD2-CE 3.89Å; I1076-M1107 HydrophobicContact CD1-CG 3.89Å; C1085-M1107 PolarHBondContact SG-SD 3.34Å; W1087-M1107 HydrophobicContact CB-CE 4.18Å; W1087-M1107 HydrophobicContact CD2-CE 3.93Å; W1087-M1107 HydrophobicContact CE3-CE 3.46Å; W1087-M1107 VanDerWaalsContact CE3-CE 3.46Å; W1087-M1107 HydrophobicContact CG-CE 4.26Å; W1087-M1107 HydrophobicContact CZ3-CE 4.11Å; L1103-M1107 HydrophobicContact CD1-CG 4.26Å; L1103-M1107 HydrophobicContact CD1-SD 4.23Å; L1103-M1107 WeakPolarHBondContact O-CG 3.44Å; L1103-M1107 PolarHBondContact O-N 3.02Å; V1104-M1107 PolarHBondContact O-N 2.76Å; V1104-M1107 VanDerWaalsContact O-N 3.1Å; M1107-R1109 PolarHBondContact O-N 3.3Å; M1107-H1110 HydrophobicContact CE-CB 3.79Å; M1107-H1110 PolarHBondContact O-N 3.45Å; M1107-T1111 PolarHBondContact O-N 3.41Å; M1107-T1111 PolarHBondContact O-OG1 2.22Å
1108	R	94.2	Very high	93	Very high	45 Å²	45	52.4 Å²	52.4	17%	0.17	25%	0.25	C	C	.	.	H	α-helix	trans	-58.9	-23.9	169.7	-59	-165.3	164.1	163	-5	114.4	V1104 H1106 G1112 E1113 H1116 S1128	V1104-R1108 PolarHBondContact O-N 2.5Å; H1106-R1108 PolarHBondContact O-N 3.49Å; H1106-R1108 VanDerWaalsContact O-N 3.15Å; R1108-G1112 CarbonylContact O-C 3.39Å; R1108-G1112 WeakPolarHBondContact O-CA 3.33Å; R1108-G1112 PolarHBondContact O-N 3.31Å; R1108-G1112 VanDerWaalsContact O-N 3.08Å; R1108-E1113 HydrophobicContact CB-CB 4.38Å; R1108-E1113 HydrophobicContact CG-CB 4.12Å; R1108-E1113 WeakPolarHBondContact CG-OE2 3.34Å; R1108-E1113 IonicContact CZ-OE1 2.76Å; R1108-E1113 IonicContact CZ-OE2 3.89Å; R1108-E1113 IonicContact NE-OE1 2.84Å; R1108-E1113 PolarHBondContact NE-OE1 3.41Å; R1108-E1113 VanDerWaalsContact NE-OE1 3.11Å; R1108-E1113 IonicContact NE-OE2 2.76Å; R1108-E1113 PolarHBondContact NE-OE2 2.99Å; R1108-E1113 IonicContact NH2-OE1 3.23Å; R1108-E1113 PolarHBondContact NH2-OE1 3.22Å; R1108-E1113 IonicContact NH2-OE2 2.62Å; R1108-E1113 PolarHBondContact O-N 2.82Å; R1108-H1116 PolarHBondContact NH1-NE2 2.85Å; R1108-S1128 VanDerWaalsContact CD-O 3.24Å; R1108-S1128 WeakPolarHBondContact CD-O 3.41Å; R1108-S1128 PolarHBondContact NH1-O 2.83Å
1109	R	92.4	Very high	93.1	Very high	146 Å²	146	53.5 Å²	53.5	55%	0.551	26%	0.259	S	S	*	.	H	α-helix	trans	-73.8	-28.3	172.1	-178.5	173.6	-80.7	-152	-12	112	E1032 H1106 M1107	E1032-R1109 IonicContact OE2-CZ 3.8Å; E1032-R1109 IonicContact OE2-NH1 3.84Å; E1032-R1109 IonicContact OE2-NH2 2.8Å; E1032-R1109 PolarHBondContact OE2-NH2 3.02Å; H1106-R1109 WeakPolarHBondContact O-CB 3.44Å; H1106-R1109 PolarHBondContact O-N 2.6Å; M1107-R1109 PolarHBondContact O-N 3.3Å
1110	H	92.2	Very high	93.1	Very high	37 Å²	37	57.3 Å²	57.3	17%	0.171	27%	0.271	C	S	.	.	H	α-helix	trans	-89.2	-40.5	-180	-65.8	-56.3	0	0	0	112.7	E1049 C1085 W1087 C1090 H1106 M1107	E1049-H1110 VanDerWaalsContact CB-O 3.3Å; E1049-H1110 WeakPolarHBondContact CB-O 3.34Å; C1085-H1110 PolarHBondContact SG-NE2 2.66Å; W1087-H1110 AromaticContact CD1-CE1 3.98Å; W1087-H1110 AromaticContact CD1-CG 3.57Å; W1087-H1110 AromaticContact CD1-ND1 3.25Å; W1087-H1110 HydrophobicContact CD2-CB 3.9Å; W1087-H1110 HydrophobicContact CE3-CB 4.45Å; W1087-H1110 HydrophobicContact CG-CB 4.11Å; W1087-H1110 AromaticContact CG-CD2 3.94Å; W1087-H1110 AromaticContact CG-CG 3.69Å; W1087-H1110 AromaticContact CG-ND1 3.83Å; W1087-H1110 HydrophobicContact CZ2-CB 4.24Å; W1087-H1110 AromaticContact NE1-CG 3.87Å; W1087-H1110 AromaticContact NE1-ND1 3.63Å; C1090-H1110 WeakPolarHBondContact CA-CE1 3.32Å; C1090-H1110 WeakPolarHBondContact CB-CE1 3.24Å; C1090-H1110 WeakPolarHBondContact CB-NE2 3.46Å; C1090-H1110 PolarHBondContact SG-CE1 3.03Å; C1090-H1110 PolarHBondContact SG-NE2 3.3Å; H1106-H1110 AromaticContact CD2-NE2 3.44Å; H1106-H1110 PolarHBondContact CD2-NE2 2.92Å; H1106-H1110 AromaticContact CE1-NE2 2.76Å; H1106-H1110 PolarHBondContact CE1-NE2 2.93Å; H1106-H1110 AromaticContact ND1-NE2 3.9Å; H1106-H1110 AromaticContact NE2-CD2 3.72Å; H1106-H1110 AromaticContact NE2-NE2 2.33Å; H1106-H1110 PolarHBondContact NE2-NE2 2.92Å; M1107-H1110 HydrophobicContact CE-CB 3.79Å; M1107-H1110 PolarHBondContact O-N 3.45Å
1111	T	92.8	Very high	92.9	Very high	2 Å²	2	61 Å²	61	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-79.9	-23.8	176.9	59.4	0	0	0	0	113.1	Q1064 L1067 V1068 L1071 M1107 E1113	Q1064-T1111 PolarHBondContact NE2-O 3.19Å; L1067-T1111 HydrophobicContact CD2-CG2 3.88Å; L1067-T1111 HydrophobicContact CG-CG2 4.11Å; V1068-T1111 HydrophobicContact CG2-CG2 3.89Å; L1071-T1111 HydrophobicContact CD1-CG2 3.34Å; M1107-T1111 PolarHBondContact O-N 3.41Å; M1107-T1111 PolarHBondContact O-OG1 2.22Å; T1111-E1113 VanDerWaalsContact C-N 3.35Å; T1111-E1113 WeakPolarHBondContact OG1-CB 3.46Å; T1111-E1113 PolarHBondContact OG1-N 2.54Å
1112	G	93.6	Very high	92.7	Very high	21 Å²	21	57.5 Å²	57.5	22%	0.216	30%	0.298	C	S	.	.			trans	79	11.6	-168.3	0	0	0	0	0	114.3	Q1064 R1108 K1114	Q1064-G1112 PolarHBondContact NE2-O 3.3Å; R1108-G1112 CarbonylContact O-C 3.39Å; R1108-G1112 WeakPolarHBondContact O-CA 3.33Å; R1108-G1112 PolarHBondContact O-N 3.31Å; R1108-G1112 VanDerWaalsContact O-N 3.08Å; G1112-K1114 PolarHBondContact O-N 3.48Å; G1112-K1114 VanDerWaalsContact O-N 3.1Å
1113	E	93.2	Very high	92.6	Very high	26 Å²	26	54.9 Å²	54.9	12%	0.121	29%	0.285	C	S	.	.			trans	-63.9	110.3	-174.3	-170.7	-140.5	146	0	0	112	V1068 R1108 T1111 P1115	V1068-E1113 HydrophobicContact CG2-CB 4.12Å; V1068-E1113 HydrophobicContact CG2-CG 4.18Å; R1108-E1113 HydrophobicContact CB-CB 4.38Å; R1108-E1113 HydrophobicContact CG-CB 4.12Å; R1108-E1113 WeakPolarHBondContact CG-OE2 3.34Å; R1108-E1113 IonicContact CZ-OE1 2.76Å; R1108-E1113 IonicContact CZ-OE2 3.89Å; R1108-E1113 IonicContact NE-OE1 2.84Å; R1108-E1113 PolarHBondContact NE-OE1 3.41Å; R1108-E1113 VanDerWaalsContact NE-OE1 3.11Å; R1108-E1113 IonicContact NE-OE2 2.76Å; R1108-E1113 PolarHBondContact NE-OE2 2.99Å; R1108-E1113 IonicContact NH2-OE1 3.23Å; R1108-E1113 PolarHBondContact NH2-OE1 3.22Å; R1108-E1113 IonicContact NH2-OE2 2.62Å; R1108-E1113 PolarHBondContact O-N 2.82Å; T1111-E1113 VanDerWaalsContact C-N 3.35Å; T1111-E1113 WeakPolarHBondContact OG1-CB 3.46Å; T1111-E1113 PolarHBondContact OG1-N 2.54Å; E1113-P1115 VanDerWaalsContact O-CD 3.32Å; E1113-P1115 WeakPolarHBondContact O-CD 3.34Å; E1113-P1115 WeakPolarHBondContact OE1-CD 3.21Å; E1113-P1115 WeakPolarHBondContact OE1-CG 3.46Å
1114	K	94.3	Very high	92.4	Very high	68 Å²	68	60.7 Å²	60.7	30%	0.296	32%	0.315	S	S	.	.			trans	-115.1	75.6	175.1	-62.7	176.9	-171.5	177.5	0	110.6	D1046 G1112 H1116 R1126 Y1127	D1046-K1114 WeakPolarHBondContact OD1-CE 3.28Å; D1046-K1114 IonicContact OD1-NZ 3.86Å; D1046-K1114 PolarHBondContact OD1-NZ 3.27Å; D1046-K1114 WeakPolarHBondContact OD2-CE 3.11Å; D1046-K1114 IonicContact OD2-NZ 2.9Å; D1046-K1114 PolarHBondContact OD2-NZ 3.44Å; G1112-K1114 PolarHBondContact O-N 3.48Å; G1112-K1114 VanDerWaalsContact O-N 3.1Å; K1114-H1116 VanDerWaalsContact C-N 3.31Å; K1114-H1116 PolarHBondContact O-N 2.81Å; K1114-R1126 HydrophobicContact CB-CB 3.59Å; K1114-R1126 HydrophobicContact CD-CB 4.27Å; K1114-R1126 WeakPolarHBondContact O-CB 3.45Å; K1114-R1126 WeakPolarHBondContact O-CD 3.32Å; K1114-Y1127 CarbonylContact C-O 3.33Å; K1114-Y1127 WeakPolarHBondContact CA-O 3.39Å
1115	P	91.8	Very high	92.3	Very high	63 Å²	63	60 Å²	60	41%	0.409	31%	0.308	S	S	.	.			trans	-77	-15.1	-172	34.9	-40.5	0	0	0	113.6	E1113 K1117 Y1127	E1113-P1115 VanDerWaalsContact O-CD 3.32Å; E1113-P1115 WeakPolarHBondContact O-CD 3.34Å; E1113-P1115 WeakPolarHBondContact OE1-CD 3.21Å; E1113-P1115 WeakPolarHBondContact OE1-CG 3.46Å; P1115-K1117 PolarHBondContact O-N 3.22Å; P1115-Y1127 WeakPolarHBondContact CD-O 3.25Å
1116	H	94.2	Very high	92.4	Very high	45 Å²	45	64.9 Å²	64.9	21%	0.208	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	76.6	-176.8	-55.3	-68.4	0	0	0	110	R1108 K1114 Y1127 L1130 L1133	R1108-H1116 PolarHBondContact NH1-NE2 2.85Å; K1114-H1116 VanDerWaalsContact C-N 3.31Å; K1114-H1116 PolarHBondContact O-N 2.81Å; H1116-Y1127 WeakPolarHBondContact CB-O 3.34Å; H1116-Y1127 PolarHBondContact CD2-O 3.38Å; H1116-Y1127 PolarHBondContact N-O 3.11Å; H1116-Y1127 PolarHBondContact O-N 3.37Å; H1116-L1130 PolarHBondContact CD2-N 3.38Å; H1116-L1130 VanDerWaalsContact CD2-N 3.28Å; H1116-L1130 PolarHBondContact NE2-N 3.08Å; H1116-L1133 HydrophobicContact CB-CB 3.96Å; H1116-L1133 HydrophobicContact CB-CD2 3.81Å; H1116-L1133 HydrophobicContact CB-CG 4.48Å
1117	K	92.8	Very high	92.4	Very high	95 Å²	95	66.4 Å²	66.4	41%	0.413	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	145.1	171.9	-163.8	-144	167.8	-163.2	0	110.5	P1115 R1126 L1133	P1115-K1117 PolarHBondContact O-N 3.22Å; K1117-R1126 HydrophobicContact CB-CG 4.14Å; K1117-R1126 HydrophobicContact CG-CG 3.99Å; K1117-L1133 WeakPolarHBondContact O-CD2 3.03Å
1118	C	94.8	Very high	92.4	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.338	C	S	.	.			trans	-62.5	139.9	163.7	-161.7	0	0	0	0	111.3	C1123 K1125 L1133 H1136 H1140	C1118-C1123 HydrophobicContact CB-CB 4Å; C1118-K1125 WeakPolarHBondContact CB-O 3.48Å; C1118-K1125 PolarHBondContact N-O 3.18Å; C1118-L1133 HydrophobicContact CB-CD1 4.31Å; C1118-H1136 VanDerWaalsContact SG-CD2 3.55Å; C1118-H1136 PolarHBondContact SG-NE2 3.12Å; C1118-H1140 VanDerWaalsContact SG-CD2 3.57Å; C1118-H1140 PolarHBondContact SG-NE2 3.33Å
1119	I	92.6	Very high	92.4	Very high	134 Å²	134	70.2 Å²	70.2	69%	0.687	35%	0.347	S	S	*	.			trans	-100.8	4	177.9	61.7	166.4	0	0	0	112.7	L1137	I1119-L1137 HydrophobicContact CG1-CD1 4.43Å; I1119-L1137 HydrophobicContact CG1-CD2 3.84Å
1120	F	90.3	Very high	92.5	Very high	105 Å²	105	67.3 Å²	67.3	46%	0.461	34%	0.342	S	S	.	.	S	Bend	trans	-82.2	128.8	172.8	-168.1	-91.8	0	0	0	109.1	C1123 H1140	F1120-C1123 HydrophobicContact CB-CB 4.19Å; F1120-C1123 HydrophobicContact CD1-CB 4.45Å; F1120-C1123 VanDerWaalsContact O-CB 3.26Å; F1120-C1123 WeakPolarHBondContact O-CB 2.98Å; F1120-C1123 PolarHBondContact O-N 3.24Å; F1120-H1140 HydrophobicContact CB-CB 4.29Å; F1120-H1140 HydrophobicContact CD1-CB 4.49Å; F1120-H1140 AromaticContact CD1-CE1 3.89Å; F1120-H1140 AromaticContact CD1-CG 3.92Å; F1120-H1140 AromaticContact CD1-ND1 3.4Å; F1120-H1140 WeakPolarHBondContact CD1-ND1 3.21Å; F1120-H1140 HydrophobicContact CD2-CB 3.67Å; F1120-H1140 AromaticContact CD2-CG 3.91Å; F1120-H1140 AromaticContact CE1-ND1 3.82Å; F1120-H1140 HydrophobicContact CE2-CB 4.06Å; F1120-H1140 HydrophobicContact CG-CB 3.9Å; F1120-H1140 AromaticContact CG-CG 3.58Å; F1120-H1140 AromaticContact CG-ND1 3.59Å
1121	E	87.4	Confident	92.4	Very high	161 Å²	161	72 Å²	72	75%	0.752	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	144.1	-177.6	-73.2	-56.1	153.3	0	0	112.2	C1123	E1121-C1123 PolarHBondContact O-N 2.99Å
1122	G	87.4	Confident	92.4	Very high	75 Å²	75	74 Å²	74	77%	0.773	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	-10.5	-168	0	0	0	0	0	115.2
1123	C	92.3	Very high	92.5	Very high	8 Å²	8	73.8 Å²	73.8	5%	0.054	37%	0.368	C	S	.	.			trans	-92.3	110.3	176.5	-160.2	0	0	0	0	112.6	C1118 F1120 E1121 H1136 H1140	C1118-C1123 HydrophobicContact CB-CB 4Å; F1120-C1123 HydrophobicContact CB-CB 4.19Å; F1120-C1123 HydrophobicContact CD1-CB 4.45Å; F1120-C1123 VanDerWaalsContact O-CB 3.26Å; F1120-C1123 WeakPolarHBondContact O-CB 2.98Å; F1120-C1123 PolarHBondContact O-N 3.24Å; E1121-C1123 PolarHBondContact O-N 2.99Å; C1123-H1136 PolarHBondContact SG-NE2 2.91Å; C1123-H1140 WeakPolarHBondContact CB-CE1 3.26Å; C1123-H1140 WeakPolarHBondContact CB-NE2 3.33Å; C1123-H1140 PolarHBondContact SG-CE1 3.47Å; C1123-H1140 PolarHBondContact SG-NE2 2.79Å
1124	I	90.4	Very high	92.5	Very high	122 Å²	122	78.6 Å²	78.6	63%	0.626	39%	0.389	S	S	*	.			trans	-81.8	-22.2	-177.6	-57	177.5	0	0	0	112.1
1125	K	92	Very high	92.4	Very high	33 Å²	33	77.8 Å²	77.8	14%	0.143	39%	0.39	C	S	.	.			trans	-48.8	133	-171.8	-76	177.9	-172.8	-55.4	0	114	P1040 E1042 C1118 Y1127	P1040-K1125 PolarHBondContact O-NZ 3.15Å; E1042-K1125 WeakPolarHBondContact OE1-CG 3.45Å; E1042-K1125 IonicContact OE1-NZ 3.49Å; E1042-K1125 PolarHBondContact OE1-NZ 3.45Å; C1118-K1125 WeakPolarHBondContact CB-O 3.48Å; C1118-K1125 PolarHBondContact N-O 3.18Å; K1125-Y1127 HydrophobicContact CB-CE2 3.93Å
1126	R	94.1	Very high	92.4	Very high	150 Å²	150	75.7 Å²	75.7	57%	0.566	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.3	175.8	-55.1	-169	-179.6	-166.7	2	111.6	K1114 K1117	K1114-R1126 HydrophobicContact CB-CB 3.59Å; K1114-R1126 HydrophobicContact CD-CB 4.27Å; K1114-R1126 WeakPolarHBondContact O-CB 3.45Å; K1114-R1126 WeakPolarHBondContact O-CD 3.32Å; K1117-R1126 HydrophobicContact CB-CG 4.14Å; K1117-R1126 HydrophobicContact CG-CG 3.99Å
1127	Y	94.5	Very high	92.3	Very high	52 Å²	52	75.6 Å²	75.6	20%	0.204	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.8	-176.5	-62.9	-87.4	0	0	0	112.4	K1114 P1115 H1116 K1125 R1129 N1132 L1133 H1136	K1114-Y1127 CarbonylContact C-O 3.33Å; K1114-Y1127 WeakPolarHBondContact CA-O 3.39Å; P1115-Y1127 WeakPolarHBondContact CD-O 3.25Å; H1116-Y1127 WeakPolarHBondContact CB-O 3.34Å; H1116-Y1127 PolarHBondContact CD2-O 3.38Å; H1116-Y1127 PolarHBondContact N-O 3.11Å; H1116-Y1127 PolarHBondContact O-N 3.37Å; K1125-Y1127 HydrophobicContact CB-CE2 3.93Å; Y1127-R1129 VanDerWaalsContact C-N 3.34Å; Y1127-N1132 HydrophobicContact CD1-CB 3.59Å; Y1127-N1132 HydrophobicContact CE1-CB 4.38Å; Y1127-N1132 HydrophobicContact CG-CB 4.1Å; Y1127-L1133 HydrophobicContact CD2-CB 4.15Å; Y1127-L1133 HydrophobicContact CD2-CD1 4.22Å; Y1127-L1133 HydrophobicContact CG-CB 4.46Å; Y1127-H1136 HydrophobicContact CE1-CB 4.39Å; Y1127-H1136 HydrophobicContact CE2-CB 3.76Å; Y1127-H1136 AromaticContact CE2-CD2 3.39Å; Y1127-H1136 WeakPolarHBondContact CE2-CD2 3.2Å; Y1127-H1136 AromaticContact CE2-CG 3.62Å; Y1127-H1136 AromaticContact CZ-CD2 3.86Å; Y1127-H1136 AromaticContact CZ-CG 3.63Å; Y1127-H1136 PolarHBondContact OH-ND1 3.12Å
1128	S	93.9	Very high	92.4	Very high	39 Å²	39	74 Å²	74	27%	0.273	37%	0.366	S	S	.	.	S	Bend	trans	-78.7	-15	175.8	57.2	0	0	0	0	113.5	R1108	R1108-S1128 VanDerWaalsContact CD-O 3.24Å; R1108-S1128 WeakPolarHBondContact CD-O 3.41Å; R1108-S1128 PolarHBondContact NH1-O 2.83Å
1129	R	93.7	Very high	92.2	Very high	92 Å²	92	77.7 Å²	77.7	35%	0.347	39%	0.393	S	S	.	.	S	Bend	trans	-132.6	145	175.7	-55.7	-174.2	-161.8	147.7	20.4	111.9	D1034 V1105 Y1127 E1131 N1132 L1133	D1034-R1129 IonicContact OD2-CZ 2.74Å; D1034-R1129 IonicContact OD2-NH1 3.11Å; D1034-R1129 IonicContact OD2-NH2 2.79Å; D1034-R1129 PolarHBondContact OD2-NH2 2.81Å; D1034-R1129 VanDerWaalsContact OD2-NH2 3.11Å; V1105-R1129 HydrophobicContact CG1-CG 3.98Å; Y1127-R1129 VanDerWaalsContact C-N 3.34Å; R1129-E1131 VanDerWaalsContact C-N 3.3Å; R1129-E1131 PolarHBondContact O-N 3.43Å; R1129-N1132 PolarHBondContact O-N 3.13Å; R1129-L1133 PolarHBondContact O-N 2.93Å
1130	L	94.2	Very high	92.1	Very high	86 Å²	86	74.7 Å²	74.7	45%	0.45	38%	0.376	S	S	.	.	H	α-helix	trans	-65.5	-31	178.7	-178.6	61.2	0	0	0	112.9	H1116 L1133 K1134	H1116-L1130 PolarHBondContact CD2-N 3.38Å; H1116-L1130 VanDerWaalsContact CD2-N 3.28Å; H1116-L1130 PolarHBondContact NE2-N 3.08Å; L1130-L1133 HydrophobicContact CD1-CD2 4.25Å; L1130-L1133 PolarHBondContact O-N 3.38Å; L1130-K1134 WeakPolarHBondContact O-CG 3.44Å; L1130-K1134 PolarHBondContact O-N 3.47Å
1131	E	89.8	Confident	92.1	Very high	136 Å²	136	73.6 Å²	73.6	64%	0.636	38%	0.378	S	S	*	.	H	α-helix	trans	-63	-47.6	177.4	-71.8	157.2	-175	0	0	111	R1129 L1133 K1134 T1135	R1129-E1131 VanDerWaalsContact C-N 3.3Å; R1129-E1131 PolarHBondContact O-N 3.43Å; E1131-L1133 VanDerWaalsContact C-N 3.27Å; E1131-L1133 PolarHBondContact O-N 3.36Å; E1131-K1134 WeakPolarHBondContact O-CB 3.39Å; E1131-K1134 PolarHBondContact O-N 3.39Å; E1131-T1135 PolarHBondContact O-N 3.36Å; E1131-T1135 PolarHBondContact O-OG1 3.08Å
1132	N	92.7	Very high	92.2	Very high	44 Å²	44	68.3 Å²	68.3	24%	0.235	37%	0.366	C	S	.	.	H	α-helix	trans	-61.8	-34.1	175.5	-56	44.6	0	0	0	111.9	Y1127 R1129 T1135 H1136	Y1127-N1132 HydrophobicContact CD1-CB 3.59Å; Y1127-N1132 HydrophobicContact CE1-CB 4.38Å; Y1127-N1132 HydrophobicContact CG-CB 4.1Å; R1129-N1132 PolarHBondContact O-N 3.13Å; N1132-T1135 WeakPolarHBondContact CA-OG1 3.37Å; N1132-T1135 PolarHBondContact O-OG1 3.33Å; N1132-T1135 VanDerWaalsContact O-OG1 3.13Å; N1132-H1136 VanDerWaalsContact O-CB 3.25Å; N1132-H1136 WeakPolarHBondContact O-CB 2.84Å; N1132-H1136 PolarHBondContact O-N 2.81Å
1133	L	95.4	Very high	92.3	Very high	15 Å²	15	69.1 Å²	69.1	8%	0.079	35%	0.35	C	S	.	.	H	α-helix	trans	-67	-42.6	170.5	173	61.2	0	0	0	111.8	H1116 K1117 C1118 Y1127 R1129 L1130 E1131 T1135 H1136 L1137	H1116-L1133 HydrophobicContact CB-CB 3.96Å; H1116-L1133 HydrophobicContact CB-CD2 3.81Å; H1116-L1133 HydrophobicContact CB-CG 4.48Å; K1117-L1133 WeakPolarHBondContact O-CD2 3.03Å; C1118-L1133 HydrophobicContact CB-CD1 4.31Å; Y1127-L1133 HydrophobicContact CD2-CB 4.15Å; Y1127-L1133 HydrophobicContact CD2-CD1 4.22Å; Y1127-L1133 HydrophobicContact CG-CB 4.46Å; R1129-L1133 PolarHBondContact O-N 2.93Å; L1130-L1133 HydrophobicContact CD1-CD2 4.25Å; L1130-L1133 PolarHBondContact O-N 3.38Å; E1131-L1133 VanDerWaalsContact C-N 3.27Å; E1131-L1133 PolarHBondContact O-N 3.36Å; L1133-T1135 PolarHBondContact O-N 3.21Å; L1133-H1136 PolarHBondContact O-N 3.19Å; L1133-L1137 HydrophobicContact CD1-CD1 3.97Å; L1133-L1137 HydrophobicContact CD1-CD2 4.42Å; L1133-L1137 HydrophobicContact CD1-CG 3.88Å; L1133-L1137 HydrophobicContact CG-CD1 3.93Å; L1133-L1137 HydrophobicContact CG-CG 4.32Å; L1133-L1137 WeakPolarHBondContact O-CG 3.5Å; L1133-L1137 PolarHBondContact O-N 3.02Å
1134	K	93.9	Very high	92.2	Very high	128 Å²	128	75 Å²	75	56%	0.557	37%	0.374	S	S	*	.	H	α-helix	trans	-62.8	-41.6	177.4	-74.4	179.8	177.1	-176.4	0	112.3	L1130 E1131 L1137 R1138	L1130-K1134 WeakPolarHBondContact O-CG 3.44Å; L1130-K1134 PolarHBondContact O-N 3.47Å; E1131-K1134 WeakPolarHBondContact O-CB 3.39Å; E1131-K1134 PolarHBondContact O-N 3.39Å; K1134-L1137 PolarHBondContact O-N 2.84Å; K1134-R1138 PolarHBondContact O-N 3.39Å
1135	T	91.5	Very high	92.2	Very high	51 Å²	51	72.7 Å²	72.7	31%	0.313	37%	0.367	S	S	.	.	H	α-helix	trans	-71.3	-32.6	176.9	59.7	0	0	0	0	111.9	E1131 N1132 L1133 N1159	E1131-T1135 PolarHBondContact O-N 3.36Å; E1131-T1135 PolarHBondContact O-OG1 3.08Å; N1132-T1135 WeakPolarHBondContact CA-OG1 3.37Å; N1132-T1135 PolarHBondContact O-OG1 3.33Å; N1132-T1135 VanDerWaalsContact O-OG1 3.13Å; L1133-T1135 PolarHBondContact O-N 3.21Å; T1135-N1159 VanDerWaalsContact CB-OD1 3.24Å; T1135-N1159 WeakPolarHBondContact CB-OD1 3.37Å; T1135-N1159 WeakPolarHBondContact CG2-OD1 3.45Å
1136	H	92.8	Very high	92.2	Very high	18 Å²	18	74.3 Å²	74.3	8%	0.083	37%	0.373	C	S	.	.	H	α-helix	trans	-67.3	-41.7	169.4	173.3	52.2	0	0	0	113.3	C1118 C1123 Y1127 N1132 L1133 R1138 S1139 H1140	C1118-H1136 VanDerWaalsContact SG-CD2 3.55Å; C1118-H1136 PolarHBondContact SG-NE2 3.12Å; C1123-H1136 PolarHBondContact SG-NE2 2.91Å; Y1127-H1136 HydrophobicContact CE1-CB 4.39Å; Y1127-H1136 HydrophobicContact CE2-CB 3.76Å; Y1127-H1136 AromaticContact CE2-CD2 3.39Å; Y1127-H1136 WeakPolarHBondContact CE2-CD2 3.2Å; Y1127-H1136 AromaticContact CE2-CG 3.62Å; Y1127-H1136 AromaticContact CZ-CD2 3.86Å; Y1127-H1136 AromaticContact CZ-CG 3.63Å; Y1127-H1136 PolarHBondContact OH-ND1 3.12Å; N1132-H1136 VanDerWaalsContact O-CB 3.25Å; N1132-H1136 WeakPolarHBondContact O-CB 2.84Å; N1132-H1136 PolarHBondContact O-N 2.81Å; L1133-H1136 PolarHBondContact O-N 3.19Å; H1136-R1138 PolarHBondContact O-N 3.2Å; H1136-S1139 PolarHBondContact ND1-OG 3.41Å; H1136-S1139 WeakPolarHBondContact O-CA 2.8Å; H1136-S1139 WeakPolarHBondContact O-CB 3.21Å; H1136-S1139 PolarHBondContact O-N 3.28Å; H1136-S1139 PolarHBondContact O-OG 3.46Å; H1136-H1140 AromaticContact CD2-NE2 3.41Å; H1136-H1140 PolarHBondContact CD2-NE2 3.06Å; H1136-H1140 AromaticContact CE1-CD2 3.7Å; H1136-H1140 AromaticContact CE1-NE2 2.54Å; H1136-H1140 PolarHBondContact CE1-NE2 3.5Å; H1136-H1140 AromaticContact ND1-NE2 3.7Å; H1136-H1140 AromaticContact NE2-CD2 3.59Å; H1136-H1140 AromaticContact NE2-NE2 2.22Å; H1136-H1140 PolarHBondContact NE2-NE2 3.37Å
1137	L	92.7	Very high	92.1	Very high	44 Å²	44	72.1 Å²	72.1	23%	0.23	37%	0.369	C	S	.	.	H	α-helix	trans	-60.9	-31	178.9	-75.2	167.1	0	0	0	112.2	I1119 L1133 K1134 S1139 H1140 T1141	I1119-L1137 HydrophobicContact CG1-CD1 4.43Å; I1119-L1137 HydrophobicContact CG1-CD2 3.84Å; L1133-L1137 HydrophobicContact CD1-CD1 3.97Å; L1133-L1137 HydrophobicContact CD1-CD2 4.42Å; L1133-L1137 HydrophobicContact CD1-CG 3.88Å; L1133-L1137 HydrophobicContact CG-CD1 3.93Å; L1133-L1137 HydrophobicContact CG-CG 4.32Å; L1133-L1137 WeakPolarHBondContact O-CG 3.5Å; L1133-L1137 PolarHBondContact O-N 3.02Å; K1134-L1137 PolarHBondContact O-N 2.84Å; L1137-S1139 PolarHBondContact O-N 2.78Å; L1137-H1140 WeakPolarHBondContact O-CB 3.3Å; L1137-H1140 PolarHBondContact O-N 3.47Å; L1137-T1141 PolarHBondContact O-N 3.14Å; L1137-T1141 PolarHBondContact O-OG1 2.83Å
1138	R	93.3	Very high	92.1	Very high	60 Å²	60	69.9 Å²	69.9	23%	0.226	36%	0.361	C	S	.	.	H	α-helix	trans	-62.7	-23.2	169.6	-71.8	178	178.8	150.5	-4	114.4	K1134 H1136 H1140 T1141 G1142 E1143 Y1146 S1158	K1134-R1138 PolarHBondContact O-N 3.39Å; H1136-R1138 PolarHBondContact O-N 3.2Å; R1138-H1140 VanDerWaalsContact C-N 3.32Å; R1138-T1141 WeakPolarHBondContact CA-OG1 3.02Å; R1138-G1142 CarbonylContact O-C 3.34Å; R1138-G1142 WeakPolarHBondContact O-CA 3.49Å; R1138-G1142 PolarHBondContact O-N 3.48Å; R1138-E1143 WeakPolarHBondContact CB-O 3.47Å; R1138-E1143 HydrophobicContact CG-CB 4.35Å; R1138-E1143 PolarHBondContact O-N 2.79Å; R1138-Y1146 PolarHBondContact NH1-OH 3.28Å; R1138-Y1146 PolarHBondContact NH2-OH 2.65Å; R1138-S1158 WeakPolarHBondContact CD-O 3.5Å; R1138-S1158 PolarHBondContact NH1-O 2.78Å
1139	S	90.8	Very high	91.9	Very high	79 Å²	79	74 Å²	74	55%	0.552	38%	0.376	S	S	*	.	H	α-helix	trans	-75.2	-21.1	171.9	70.8	0	0	0	0	113.3	H1136 L1137	H1136-S1139 PolarHBondContact ND1-OG 3.41Å; H1136-S1139 WeakPolarHBondContact O-CA 2.8Å; H1136-S1139 WeakPolarHBondContact O-CB 3.21Å; H1136-S1139 PolarHBondContact O-N 3.28Å; H1136-S1139 PolarHBondContact O-OG 3.46Å; L1137-S1139 PolarHBondContact O-N 2.78Å
1140	H	91.5	Very high	91.8	Very high	71 Å²	71	72.3 Å²	72.3	33%	0.329	37%	0.373	S	S	.	.	H	α-helix	trans	-87.8	-41.7	172.3	-69	-63.7	0	0	0	112.7	C1118 F1120 C1123 H1136 L1137 R1138 G1142	C1118-H1140 VanDerWaalsContact SG-CD2 3.57Å; C1118-H1140 PolarHBondContact SG-NE2 3.33Å; F1120-H1140 HydrophobicContact CB-CB 4.29Å; F1120-H1140 HydrophobicContact CD1-CB 4.49Å; F1120-H1140 AromaticContact CD1-CE1 3.89Å; F1120-H1140 AromaticContact CD1-CG 3.92Å; F1120-H1140 AromaticContact CD1-ND1 3.4Å; F1120-H1140 WeakPolarHBondContact CD1-ND1 3.21Å; F1120-H1140 HydrophobicContact CD2-CB 3.67Å; F1120-H1140 AromaticContact CD2-CG 3.91Å; F1120-H1140 AromaticContact CE1-ND1 3.82Å; F1120-H1140 HydrophobicContact CE2-CB 4.06Å; F1120-H1140 HydrophobicContact CG-CB 3.9Å; F1120-H1140 AromaticContact CG-CG 3.58Å; F1120-H1140 AromaticContact CG-ND1 3.59Å; C1123-H1140 WeakPolarHBondContact CB-CE1 3.26Å; C1123-H1140 WeakPolarHBondContact CB-NE2 3.33Å; C1123-H1140 PolarHBondContact SG-CE1 3.47Å; C1123-H1140 PolarHBondContact SG-NE2 2.79Å; H1136-H1140 AromaticContact CD2-NE2 3.41Å; H1136-H1140 PolarHBondContact CD2-NE2 3.06Å; H1136-H1140 AromaticContact CE1-CD2 3.7Å; H1136-H1140 AromaticContact CE1-NE2 2.54Å; H1136-H1140 PolarHBondContact CE1-NE2 3.5Å; H1136-H1140 AromaticContact ND1-NE2 3.7Å; H1136-H1140 AromaticContact NE2-CD2 3.59Å; H1136-H1140 AromaticContact NE2-NE2 2.22Å; H1136-H1140 PolarHBondContact NE2-NE2 3.37Å; L1137-H1140 WeakPolarHBondContact O-CB 3.3Å; L1137-H1140 PolarHBondContact O-N 3.47Å; R1138-H1140 VanDerWaalsContact C-N 3.32Å; H1140-G1142 VanDerWaalsContact C-N 3.28Å; H1140-G1142 PolarHBondContact O-N 2.68Å
1141	T	89.2	Confident	91.4	Very high	82 Å²	82	74.2 Å²	74.2	50%	0.503	39%	0.391	S	S	.	.	H	α-helix	trans	-77.4	-14.1	177.3	61	0	0	0	0	113.4	L1137 R1138 E1143	L1137-T1141 PolarHBondContact O-N 3.14Å; L1137-T1141 PolarHBondContact O-OG1 2.83Å; R1138-T1141 WeakPolarHBondContact CA-OG1 3.02Å; T1141-E1143 PolarHBondContact O-N 2.96Å; T1141-E1143 WeakPolarHBondContact OG1-CB 3.16Å; T1141-E1143 VanDerWaalsContact OG1-CG 3.32Å; T1141-E1143 WeakPolarHBondContact OG1-CG 3.24Å; T1141-E1143 PolarHBondContact OG1-N 2.88Å; T1141-E1143 PolarHBondContact OG1-OE2 3.08Å
1142	G	89.9	Confident	91.2	Very high	49 Å²	49	71.5 Å²	71.5	51%	0.505	40%	0.4	S	S	.	.			trans	70.2	1	-171.5	0	0	0	0	0	114.2	R1138 H1140 K1144	R1138-G1142 CarbonylContact O-C 3.34Å; R1138-G1142 WeakPolarHBondContact O-CA 3.49Å; R1138-G1142 PolarHBondContact O-N 3.48Å; H1140-G1142 VanDerWaalsContact C-N 3.28Å; H1140-G1142 PolarHBondContact O-N 2.68Å; G1142-K1144 PolarHBondContact O-N 2.78Å
1143	E	89	Confident	91.2	Very high	92 Å²	92	69.8 Å²	69.8	43%	0.43	39%	0.391	S	S	.	.			trans	-64.5	115.6	-174.4	-73.8	172.6	170.3	0	0	111.6	R1138 T1141 P1145 R1976	R1138-E1143 WeakPolarHBondContact CB-O 3.47Å; R1138-E1143 HydrophobicContact CG-CB 4.35Å; R1138-E1143 PolarHBondContact O-N 2.79Å; T1141-E1143 PolarHBondContact O-N 2.96Å; T1141-E1143 WeakPolarHBondContact OG1-CB 3.16Å; T1141-E1143 VanDerWaalsContact OG1-CG 3.32Å; T1141-E1143 WeakPolarHBondContact OG1-CG 3.24Å; T1141-E1143 PolarHBondContact OG1-N 2.88Å; T1141-E1143 PolarHBondContact OG1-OE2 3.08Å; E1143-P1145 WeakPolarHBondContact O-CD 3.5Å; E1143-R1976 IonicContact OE1-NH2 3.99Å
1144	K	91.3	Very high	90.9	Very high	132 Å²	132	74.3 Å²	74.3	57%	0.574	42%	0.415	S	S	*	.			trans	-114.2	70.9	177.6	-73.6	166	170.2	-177.1	0	110.4	G1142 Y1146 A1156 F1157	G1142-K1144 PolarHBondContact O-N 2.78Å; K1144-Y1146 PolarHBondContact O-N 2.66Å; K1144-Y1146 VanDerWaalsContact O-N 3.14Å; K1144-A1156 HydrophobicContact CB-CB 3.77Å; K1144-A1156 WeakPolarHBondContact CD-O 3.38Å; K1144-F1157 CarbonylContact C-O 3.59Å; K1144-F1157 VanDerWaalsContact CA-O 3.29Å; K1144-F1157 WeakPolarHBondContact CA-O 3.14Å
1145	P	90	Very high	90.8	Very high	74 Å²	74	74.1 Å²	74.1	48%	0.481	41%	0.414	S	S	.	.			trans	-71.1	-7.6	-170.5	29.5	-36.6	0	0	0	114.6	E1143	E1143-P1145 WeakPolarHBondContact O-CD 3.5Å
1146	Y	93.1	Very high	90.8	Very high	66 Å²	66	73.2 Å²	73.2	26%	0.259	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	80.3	179.5	-49	-74.7	0	0	0	110.1	R1138 K1144 F1157 S1158 A1160	R1138-Y1146 PolarHBondContact NH1-OH 3.28Å; R1138-Y1146 PolarHBondContact NH2-OH 2.65Å; K1144-Y1146 PolarHBondContact O-N 2.66Å; K1144-Y1146 VanDerWaalsContact O-N 3.14Å; Y1146-F1157 WeakPolarHBondContact CD2-O 3.36Å; Y1146-F1157 PolarHBondContact N-O 3.49Å; Y1146-F1157 VanDerWaalsContact N-O 3.11Å; Y1146-F1157 WeakPolarHBondContact O-CD2 3.32Å; Y1146-F1157 PolarHBondContact O-N 3.13Å; Y1146-S1158 WeakPolarHBondContact CE2-O 3.36Å; Y1146-A1160 HydrophobicContact CD1-CB 3.84Å; Y1146-A1160 HydrophobicContact CD2-CB 4.39Å; Y1146-A1160 VanDerWaalsContact CD2-N 3.25Å; Y1146-A1160 HydrophobicContact CE1-CB 3.78Å; Y1146-A1160 HydrophobicContact CE2-CB 4.31Å; Y1146-A1160 HydrophobicContact CG-CB 4.15Å
1147	Q	92	Very high	90.8	Very high	104 Å²	104	74.5 Å²	74.5	49%	0.486	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	138.9	167	-176.7	167.1	-15.8	0	0	110.4	E1149 A1156 R1163	Q1147-E1149 PolarHBondContact O-N 3Å; Q1147-A1156 HydrophobicContact CB-CB 4.21Å; Q1147-R1163 VanDerWaalsContact C-CD 3.45Å; Q1147-R1163 WeakPolarHBondContact O-CD 3.08Å; Q1147-R1163 PolarHBondContact O-NH1 2.93Å; Q1147-R1163 VanDerWaalsContact O-NH1 3.16Å
1148	C	93.8	Very high	90.8	Very high	6 Å²	6	74.2 Å²	74.2	4%	0.041	42%	0.419	C	S	.	.			trans	-56	126.3	172.2	-167.2	0	0	0	0	110.2	I1150 C1153 K1155 Q1167 H1171	C1148-I1150 PolarHBondContact O-N 3.4Å; C1148-C1153 HydrophobicContact CB-CB 4.11Å; C1148-C1153 WeakPolarHBondContact CB-O 3.26Å; C1148-K1155 WeakPolarHBondContact CB-O 3.37Å; C1148-K1155 PolarHBondContact N-O 3.49Å; C1148-Q1167 VanDerWaalsContact SG-CG 3.51Å; C1148-H1171 PolarHBondContact SG-NE2 3.4Å; C1148-H1171 VanDerWaalsContact SG-NE2 3.35Å
1149	E	90.4	Very high	90.7	Very high	124 Å²	124	72.8 Å²	72.8	58%	0.579	42%	0.416	S	S	*	.			trans	-81.1	7.2	-177.1	-64.7	141.1	158.5	0	0	113.2	Q1147 R1163 Q1167	Q1147-E1149 PolarHBondContact O-N 3Å; E1149-R1163 IonicContact OE1-CZ 3.81Å; E1149-R1163 IonicContact OE1-NH1 3.72Å; E1149-R1163 PolarHBondContact OE1-NH1 2.95Å; E1149-R1163 IonicContact OE1-NH2 3.83Å; E1149-R1163 PolarHBondContact OE1-NH2 2.94Å; E1149-R1163 IonicContact OE2-CZ 3.93Å; E1149-R1163 IonicContact OE2-NE 2.67Å; E1149-R1163 IonicContact OE2-NH1 2.88Å; E1149-R1163 PolarHBondContact OE2-NH1 3.49Å; E1149-R1163 IonicContact OE2-NH2 3.33Å; E1149-R1163 PolarHBondContact OE2-NH2 2.72Å; E1149-Q1167 PolarHBondContact OE2-NE2 3.45Å
1150	I	90.1	Very high	90.8	Very high	57 Å²	57	71.1 Å²	71.1	29%	0.292	41%	0.407	S	S	.	.	S	Bend	trans	-94.4	119.8	-177.4	-63	178.4	0	0	0	108	C1148 C1153 Q1167 H1171	C1148-I1150 PolarHBondContact O-N 3.4Å; I1150-C1153 VanDerWaalsContact O-CB 3.23Å; I1150-C1153 WeakPolarHBondContact O-CB 3.3Å; I1150-C1153 PolarHBondContact O-N 2.74Å; I1150-Q1167 HydrophobicContact CD1-CB 4.15Å; I1150-Q1167 HydrophobicContact CD1-CG 4.01Å; I1150-Q1167 HydrophobicContact CG1-CG 4.39Å; I1150-H1171 HydrophobicContact CD1-CB 3.36Å; I1150-H1171 HydrophobicContact CG2-CB 4.37Å
1151	P	86.5	Confident	90.7	Very high	127 Å²	127	70.1 Å²	70.1	83%	0.825	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	145.9	-174.4	23.3	-33.3	0	0	0	111.6	C1153	P1151-C1153 PolarHBondContact O-N 3.16Å
1152	G	86.5	Confident	90.7	Very high	79 Å²	79	67.8 Å²	67.8	81%	0.814	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-7.7	-168.7	0	0	0	0	0	114.7
1153	C	91.3	Very high	90.9	Very high	7 Å²	7	67.6 Å²	67.6	5%	0.047	38%	0.377	C	S	.	.			trans	-102.9	82.7	178	-158.6	0	0	0	0	114.1	C1148 I1150 P1151 K1155 H1166 H1171	C1148-C1153 HydrophobicContact CB-CB 4.11Å; C1148-C1153 WeakPolarHBondContact CB-O 3.26Å; I1150-C1153 VanDerWaalsContact O-CB 3.23Å; I1150-C1153 WeakPolarHBondContact O-CB 3.3Å; I1150-C1153 PolarHBondContact O-N 2.74Å; P1151-C1153 PolarHBondContact O-N 3.16Å; C1153-K1155 PolarHBondContact O-N 2.95Å; C1153-H1166 PolarHBondContact SG-NE2 3.35Å; C1153-H1171 WeakPolarHBondContact CB-CE1 3.33Å; C1153-H1171 WeakPolarHBondContact CB-NE2 3.32Å; C1153-H1171 PolarHBondContact SG-CE1 3.35Å; C1153-H1171 PolarHBondContact SG-NE2 2.91Å
1154	N	88.9	Confident	91	Very high	111 Å²	111	65 Å²	65	59%	0.594	37%	0.371	S	S	*	.			trans	-73.9	31.8	177.3	-64.4	-22	0	0	0	114.1
1155	K	91.5	Very high	90.8	Very high	123 Å²	123	60.7 Å²	60.7	54%	0.535	35%	0.352	S	S	.	.			trans	-92	122.2	175.9	-74.7	178.1	176	172.6	0	110.7	C1148 C1153 F1157	C1148-K1155 WeakPolarHBondContact CB-O 3.37Å; C1148-K1155 PolarHBondContact N-O 3.49Å; C1153-K1155 PolarHBondContact O-N 2.95Å; K1155-F1157 HydrophobicContact CB-CE2 3.84Å; K1155-F1157 HydrophobicContact CB-CZ 4.03Å; K1155-F1157 WeakPolarHBondContact O-CE2 3.41Å
1156	A	92.7	Very high	90.8	Very high	32 Å²	32	58 Å²	58	26%	0.264	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.6	178.3	0	0	0	0	0	112.9	K1144 Q1147	K1144-A1156 HydrophobicContact CB-CB 3.77Å; K1144-A1156 WeakPolarHBondContact CD-O 3.38Å; Q1147-A1156 HydrophobicContact CB-CB 4.21Å
1157	F	93	Very high	90.5	Very high	46 Å²	46	56.1 Å²	56.1	20%	0.202	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	149.9	-169.9	-58.7	-93.8	0	0	0	111.3	K1144 Y1146 K1155 N1159 D1162 R1163 H1166	K1144-F1157 CarbonylContact C-O 3.59Å; K1144-F1157 VanDerWaalsContact CA-O 3.29Å; K1144-F1157 WeakPolarHBondContact CA-O 3.14Å; Y1146-F1157 WeakPolarHBondContact CD2-O 3.36Å; Y1146-F1157 PolarHBondContact N-O 3.49Å; Y1146-F1157 VanDerWaalsContact N-O 3.11Å; Y1146-F1157 WeakPolarHBondContact O-CD2 3.32Å; Y1146-F1157 PolarHBondContact O-N 3.13Å; K1155-F1157 HydrophobicContact CB-CE2 3.84Å; K1155-F1157 HydrophobicContact CB-CZ 4.03Å; K1155-F1157 WeakPolarHBondContact O-CE2 3.41Å; F1157-N1159 VanDerWaalsContact C-N 3.3Å; F1157-D1162 HydrophobicContact CB-CB 4.37Å; F1157-D1162 HydrophobicContact CD1-CB 3.92Å; F1157-D1162 HydrophobicContact CG-CB 4.41Å; F1157-R1163 HydrophobicContact CB-CB 4.26Å; F1157-R1163 HydrophobicContact CD2-CB 3.84Å; F1157-R1163 HydrophobicContact CD2-CG 3.99Å; F1157-R1163 HydrophobicContact CE2-CG 4.49Å; F1157-R1163 HydrophobicContact CG-CB 4.2Å; F1157-H1166 HydrophobicContact CE1-CB 4.11Å; F1157-H1166 HydrophobicContact CE2-CB 4.02Å; F1157-H1166 AromaticContact CE2-CD2 3.32Å; F1157-H1166 WeakPolarHBondContact CE2-CD2 3.24Å; F1157-H1166 AromaticContact CE2-CG 3.83Å; F1157-H1166 HydrophobicContact CZ-CB 3.56Å; F1157-H1166 AromaticContact CZ-CD2 3.35Å; F1157-H1166 WeakPolarHBondContact CZ-CD2 3.29Å; F1157-H1166 AromaticContact CZ-CG 3.41Å; F1157-H1166 VanDerWaalsContact CZ-CG 3.41Å
1158	S	91.7	Very high	90.2	Very high	37 Å²	37	56.6 Å²	56.6	26%	0.259	33%	0.333	S	S	.	.	S	Bend	trans	-77.3	-15.9	174.6	48.2	0	0	0	0	113.2	R1138 Y1146	R1138-S1158 WeakPolarHBondContact CD-O 3.5Å; R1138-S1158 PolarHBondContact NH1-O 2.78Å; Y1146-S1158 WeakPolarHBondContact CE2-O 3.36Å
1159	N	91.2	Very high	89.8	Confident	30 Å²	30	60.7 Å²	60.7	16%	0.16	35%	0.347	C	S	.	.	S	Bend	trans	-129.8	143.2	-179.3	-53.7	-38.7	0	0	0	111.7	T1135 F1157 S1161 D1162 R1163	T1135-N1159 VanDerWaalsContact CB-OD1 3.24Å; T1135-N1159 WeakPolarHBondContact CB-OD1 3.37Å; T1135-N1159 WeakPolarHBondContact CG2-OD1 3.45Å; F1157-N1159 VanDerWaalsContact C-N 3.3Å; N1159-S1161 VanDerWaalsContact C-N 3.35Å; N1159-D1162 HydrophobicContact CB-CB 4.32Å; N1159-D1162 WeakPolarHBondContact CB-OD2 3.26Å; N1159-D1162 PolarHBondContact ND2-OD2 3.39Å; N1159-D1162 PolarHBondContact O-N 3.28Å; N1159-R1163 PolarHBondContact O-N 3.27Å
1160	A	92.6	Very high	89.6	Confident	45 Å²	45	57.8 Å²	57.8	37%	0.372	34%	0.338	S	S	.	.	H	α-helix	trans	-68.6	-33.9	176.5	0	0	0	0	0	112.4	Y1146 R1163 A1164	Y1146-A1160 HydrophobicContact CD1-CB 3.84Å; Y1146-A1160 HydrophobicContact CD2-CB 4.39Å; Y1146-A1160 VanDerWaalsContact CD2-N 3.25Å; Y1146-A1160 HydrophobicContact CE1-CB 3.78Å; Y1146-A1160 HydrophobicContact CE2-CB 4.31Å; Y1146-A1160 HydrophobicContact CG-CB 4.15Å; A1160-R1163 PolarHBondContact O-N 2.94Å; A1160-A1164 WeakPolarHBondContact O-CB 2.87Å; A1160-A1164 PolarHBondContact O-N 2.75Å
1161	S	89.6	Confident	89.3	Confident	50 Å²	50	58.4 Å²	58.4	35%	0.35	34%	0.34	S	S	.	.	H	α-helix	trans	-59	-45.7	174.4	50.7	0	0	0	0	111.4	N1159 A1164 K1165	N1159-S1161 VanDerWaalsContact C-N 3.35Å; S1161-A1164 PolarHBondContact O-N 3.42Å; S1161-K1165 WeakPolarHBondContact O-CB 3.05Å; S1161-K1165 VanDerWaalsContact O-CG 3.24Å; S1161-K1165 WeakPolarHBondContact O-CG 3.36Å; S1161-K1165 PolarHBondContact O-N 2.82Å
1162	D	90.4	Very high	89	Confident	32 Å²	32	54.9 Å²	54.9	17%	0.171	32%	0.318	C	S	.	.	H	α-helix	trans	-69.1	-35.6	-179.4	-63.4	-40	0	0	0	112.4	F1157 N1159 K1165 H1166	F1157-D1162 HydrophobicContact CB-CB 4.37Å; F1157-D1162 HydrophobicContact CD1-CB 3.92Å; F1157-D1162 HydrophobicContact CG-CB 4.41Å; N1159-D1162 HydrophobicContact CB-CB 4.32Å; N1159-D1162 WeakPolarHBondContact CB-OD2 3.26Å; N1159-D1162 PolarHBondContact ND2-OD2 3.39Å; N1159-D1162 PolarHBondContact O-N 3.28Å; D1162-K1165 IonicContact OD1-NZ 2.85Å; D1162-K1165 PolarHBondContact OD1-NZ 3.44Å; D1162-H1166 VanDerWaalsContact O-CB 3.3Å; D1162-H1166 WeakPolarHBondContact O-CB 3.16Å; D1162-H1166 PolarHBondContact O-N 3.07Å
1163	R	93.5	Very high	88.5	Confident	46 Å²	46	56.7 Å²	56.7	17%	0.174	31%	0.309	C	S	.	.	H	α-helix	trans	-61.9	-48.7	169.5	-169.8	-166.1	61.9	175	9.3	111.7	Q1147 E1149 F1157 N1159 A1160 H1166 Q1167	Q1147-R1163 VanDerWaalsContact C-CD 3.45Å; Q1147-R1163 WeakPolarHBondContact O-CD 3.08Å; Q1147-R1163 PolarHBondContact O-NH1 2.93Å; Q1147-R1163 VanDerWaalsContact O-NH1 3.16Å; E1149-R1163 IonicContact OE1-CZ 3.81Å; E1149-R1163 IonicContact OE1-NH1 3.72Å; E1149-R1163 PolarHBondContact OE1-NH1 2.95Å; E1149-R1163 IonicContact OE1-NH2 3.83Å; E1149-R1163 PolarHBondContact OE1-NH2 2.94Å; E1149-R1163 IonicContact OE2-CZ 3.93Å; E1149-R1163 IonicContact OE2-NE 2.67Å; E1149-R1163 IonicContact OE2-NH1 2.88Å; E1149-R1163 PolarHBondContact OE2-NH1 3.49Å; E1149-R1163 IonicContact OE2-NH2 3.33Å; E1149-R1163 PolarHBondContact OE2-NH2 2.72Å; F1157-R1163 HydrophobicContact CB-CB 4.26Å; F1157-R1163 HydrophobicContact CD2-CB 3.84Å; F1157-R1163 HydrophobicContact CD2-CG 3.99Å; F1157-R1163 HydrophobicContact CE2-CG 4.49Å; F1157-R1163 HydrophobicContact CG-CB 4.2Å; N1159-R1163 PolarHBondContact O-N 3.27Å; A1160-R1163 PolarHBondContact O-N 2.94Å; R1163-H1166 WeakPolarHBondContact O-CA 3.31Å; R1163-H1166 WeakPolarHBondContact O-CB 3.38Å; R1163-H1166 PolarHBondContact O-N 2.91Å; R1163-H1166 VanDerWaalsContact O-N 3.08Å; R1163-Q1167 HydrophobicContact CG-CG 4.49Å; R1163-Q1167 WeakPolarHBondContact O-CG 3.42Å; R1163-Q1167 PolarHBondContact O-N 3.11Å; R1163-Q1167 PolarHBondContact O-OE1 3.39Å
1164	A	90.8	Very high	87.9	Confident	38 Å²	38	62.3 Å²	62.3	31%	0.314	34%	0.335	S	S	.	.	H	α-helix	trans	-65.1	-40.7	179.8	0	0	0	0	0	112.1	A1160 S1161 H1166 Q1167 N1168	A1160-A1164 WeakPolarHBondContact O-CB 2.87Å; A1160-A1164 PolarHBondContact O-N 2.75Å; S1161-A1164 PolarHBondContact O-N 3.42Å; A1164-H1166 VanDerWaalsContact C-N 3.27Å; A1164-H1166 PolarHBondContact O-N 2.79Å; A1164-Q1167 PolarHBondContact O-N 3.4Å; A1164-N1168 VanDerWaalsContact O-CB 3.27Å; A1164-N1168 WeakPolarHBondContact O-CB 3.18Å; A1164-N1168 PolarHBondContact O-N 3.4Å
1165	K	86.8	Confident	87.6	Confident	41 Å²	41	62.1 Å²	62.1	18%	0.178	33%	0.328	C	S	.	.	H	α-helix	trans	-57.3	-40.7	169.7	-71.7	171.7	-153.6	163.7	0	111	D1035 S1161 D1162 R1169	D1035-K1165 PolarHBondContact O-NZ 2.83Å; D1035-K1165 IonicContact OD1-NZ 2.71Å; D1035-K1165 PolarHBondContact OD1-NZ 3.08Å; D1035-K1165 WeakPolarHBondContact OD2-CE 3.44Å; D1035-K1165 IonicContact OD2-NZ 2.92Å; D1035-K1165 PolarHBondContact OD2-NZ 3.14Å; S1161-K1165 WeakPolarHBondContact O-CB 3.05Å; S1161-K1165 VanDerWaalsContact O-CG 3.24Å; S1161-K1165 WeakPolarHBondContact O-CG 3.36Å; S1161-K1165 PolarHBondContact O-N 2.82Å; D1162-K1165 IonicContact OD1-NZ 2.85Å; D1162-K1165 PolarHBondContact OD1-NZ 3.44Å; K1165-R1169 WeakPolarHBondContact O-CB 3.37Å; K1165-R1169 WeakPolarHBondContact O-CD 3.48Å; K1165-R1169 WeakPolarHBondContact O-CG 3.38Å; K1165-R1169 PolarHBondContact O-N 3.31Å
1166	H	89.5	Confident	87.2	Confident	18 Å²	18	59.7 Å²	59.7	8%	0.083	33%	0.325	C	S	.	.	H	α-helix	trans	-67.5	-54.1	178.6	168.9	52.3	0	0	0	111.9	C1153 F1157 D1162 R1163 A1164 N1168 R1169 T1170 H1171	C1153-H1166 PolarHBondContact SG-NE2 3.35Å; F1157-H1166 HydrophobicContact CE1-CB 4.11Å; F1157-H1166 HydrophobicContact CE2-CB 4.02Å; F1157-H1166 AromaticContact CE2-CD2 3.32Å; F1157-H1166 WeakPolarHBondContact CE2-CD2 3.24Å; F1157-H1166 AromaticContact CE2-CG 3.83Å; F1157-H1166 HydrophobicContact CZ-CB 3.56Å; F1157-H1166 AromaticContact CZ-CD2 3.35Å; F1157-H1166 WeakPolarHBondContact CZ-CD2 3.29Å; F1157-H1166 AromaticContact CZ-CG 3.41Å; F1157-H1166 VanDerWaalsContact CZ-CG 3.41Å; D1162-H1166 VanDerWaalsContact O-CB 3.3Å; D1162-H1166 WeakPolarHBondContact O-CB 3.16Å; D1162-H1166 PolarHBondContact O-N 3.07Å; R1163-H1166 WeakPolarHBondContact O-CA 3.31Å; R1163-H1166 WeakPolarHBondContact O-CB 3.38Å; R1163-H1166 PolarHBondContact O-N 2.91Å; R1163-H1166 VanDerWaalsContact O-N 3.08Å; A1164-H1166 VanDerWaalsContact C-N 3.27Å; A1164-H1166 PolarHBondContact O-N 2.79Å; H1166-N1168 VanDerWaalsContact C-N 3.32Å; H1166-N1168 PolarHBondContact O-N 3.5Å; H1166-R1169 PolarHBondContact O-N 2.86Å; H1166-T1170 PolarHBondContact CE1-OG1 2.8Å; H1166-T1170 PolarHBondContact ND1-OG1 3.26Å; H1166-T1170 PolarHBondContact O-N 3.08Å; H1166-T1170 PolarHBondContact O-OG1 3.4Å; H1166-T1170 VanDerWaalsContact O-OG1 3.07Å; H1166-H1171 AromaticContact CD2-NE2 3.21Å; H1166-H1171 PolarHBondContact CD2-NE2 2.87Å; H1166-H1171 AromaticContact CE1-CD2 3.82Å; H1166-H1171 AromaticContact CE1-NE2 2.57Å; H1166-H1171 PolarHBondContact CE1-NE2 3.07Å; H1166-H1171 AromaticContact CG-NE2 3.93Å; H1166-H1171 AromaticContact ND1-NE2 3.61Å; H1166-H1171 AromaticContact NE2-CD2 3.81Å; H1166-H1171 AromaticContact NE2-NE2 2.21Å; H1166-H1171 PolarHBondContact NE2-NE2 2.92Å
1167	Q	87.7	Confident	87	Confident	26 Å²	26	62.6 Å²	62.6	12%	0.121	33%	0.33	C	S	.	.	I	π-helix	trans	-48.1	-54.6	174.2	-73.1	167.4	-66.6	0	0	110.7	C1148 E1149 I1150 R1163 A1164 R1169 H1171 S1172	C1148-Q1167 VanDerWaalsContact SG-CG 3.51Å; E1149-Q1167 PolarHBondContact OE2-NE2 3.45Å; I1150-Q1167 HydrophobicContact CD1-CB 4.15Å; I1150-Q1167 HydrophobicContact CD1-CG 4.01Å; I1150-Q1167 HydrophobicContact CG1-CG 4.39Å; R1163-Q1167 HydrophobicContact CG-CG 4.49Å; R1163-Q1167 WeakPolarHBondContact O-CG 3.42Å; R1163-Q1167 PolarHBondContact O-N 3.11Å; R1163-Q1167 PolarHBondContact O-OE1 3.39Å; A1164-Q1167 PolarHBondContact O-N 3.4Å; Q1167-R1169 VanDerWaalsContact C-N 3.28Å; Q1167-R1169 PolarHBondContact O-N 2.71Å; Q1167-H1171 PolarHBondContact O-N 2.79Å; Q1167-S1172 PolarHBondContact O-N 2.95Å
1168	N	86	Confident	86.9	Confident	114 Å²	114	63 Å²	63	61%	0.61	34%	0.337	S	S	*	.	I	π-helix	trans	-77.5	-3.3	-173.1	-61.4	-0.6	0	0	0	114.9	A1164 H1166 S1172	A1164-N1168 VanDerWaalsContact O-CB 3.27Å; A1164-N1168 WeakPolarHBondContact O-CB 3.18Å; A1164-N1168 PolarHBondContact O-N 3.4Å; H1166-N1168 VanDerWaalsContact C-N 3.32Å; H1166-N1168 PolarHBondContact O-N 3.5Å; N1168-S1172 VanDerWaalsContact C-OG 3.26Å; N1168-S1172 PolarHBondContact O-OG 3.34Å
1169	R	85.2	Confident	87	Confident	91 Å²	91	61.7 Å²	61.7	34%	0.343	33%	0.327	S	S	.	.	I	π-helix	trans	-125.1	-22.7	-178.2	-63.9	178	-173.1	178.1	4	115.4	K1165 H1166 Q1167 T1189 D1190	K1165-R1169 WeakPolarHBondContact O-CB 3.37Å; K1165-R1169 WeakPolarHBondContact O-CD 3.48Å; K1165-R1169 WeakPolarHBondContact O-CG 3.38Å; K1165-R1169 PolarHBondContact O-N 3.31Å; H1166-R1169 PolarHBondContact O-N 2.86Å; Q1167-R1169 VanDerWaalsContact C-N 3.28Å; Q1167-R1169 PolarHBondContact O-N 2.71Å; R1169-T1189 WeakPolarHBondContact O-CG2 3.36Å; R1169-D1190 VanDerWaalsContact CZ-CB 3.41Å
1170	T	85.2	Confident	87	Confident	64 Å²	64	65.8 Å²	65.8	39%	0.393	34%	0.343	S	S	.	.	I	π-helix	trans	-114.7	-18.3	-179.3	69	0	0	0	0	114.2	H1166 N1173	H1166-T1170 PolarHBondContact CE1-OG1 2.8Å; H1166-T1170 PolarHBondContact ND1-OG1 3.26Å; H1166-T1170 PolarHBondContact O-N 3.08Å; H1166-T1170 PolarHBondContact O-OG1 3.4Å; H1166-T1170 VanDerWaalsContact O-OG1 3.07Å; T1170-N1173 PolarHBondContact O-ND2 2.73Å
1171	H	84.9	Confident	86.9	Confident	70 Å²	70	64.9 Å²	64.9	32%	0.324	33%	0.333	S	S	.	.	I	π-helix	trans	-107.1	-41.7	-177.7	-65.1	-72.6	0	0	0	112.1	C1148 I1150 C1153 H1166 Q1167 N1173	C1148-H1171 PolarHBondContact SG-NE2 3.4Å; C1148-H1171 VanDerWaalsContact SG-NE2 3.35Å; I1150-H1171 HydrophobicContact CD1-CB 3.36Å; I1150-H1171 HydrophobicContact CG2-CB 4.37Å; C1153-H1171 WeakPolarHBondContact CB-CE1 3.33Å; C1153-H1171 WeakPolarHBondContact CB-NE2 3.32Å; C1153-H1171 PolarHBondContact SG-CE1 3.35Å; C1153-H1171 PolarHBondContact SG-NE2 2.91Å; H1166-H1171 AromaticContact CD2-NE2 3.21Å; H1166-H1171 PolarHBondContact CD2-NE2 2.87Å; H1166-H1171 AromaticContact CE1-CD2 3.82Å; H1166-H1171 AromaticContact CE1-NE2 2.57Å; H1166-H1171 PolarHBondContact CE1-NE2 3.07Å; H1166-H1171 AromaticContact CG-NE2 3.93Å; H1166-H1171 AromaticContact ND1-NE2 3.61Å; H1166-H1171 AromaticContact NE2-CD2 3.81Å; H1166-H1171 AromaticContact NE2-NE2 2.21Å; H1166-H1171 PolarHBondContact NE2-NE2 2.92Å; Q1167-H1171 PolarHBondContact O-N 2.79Å; H1171-N1173 PolarHBondContact O-N 2.7Å; H1171-N1173 PolarHBondContact O-ND2 3.47Å
1172	S	80.4	Confident	86.7	Confident	53 Å²	53	69.1 Å²	69.1	37%	0.371	35%	0.352	S	S	.	.	S	Bend	trans	-56.7	-29.9	165.3	63.2	0	0	0	0	112.6	Q1167 N1168 E1174	Q1167-S1172 PolarHBondContact O-N 2.95Å; N1168-S1172 VanDerWaalsContact C-OG 3.26Å; N1168-S1172 PolarHBondContact O-OG 3.34Å; S1172-E1174 PolarHBondContact O-N 2.83Å; S1172-E1174 PolarHBondContact OG-N 3.24Å
1173	N	76.5	Confident	86.5	Confident	116 Å²	116	71.3 Å²	71.3	62%	0.62	38%	0.383	S	S	*	.			trans	52.3	9.9	-166.7	-74.7	-73.5	0	0	0	114.7	T1170 H1171 K1175	T1170-N1173 PolarHBondContact O-ND2 2.73Å; H1171-N1173 PolarHBondContact O-N 2.7Å; H1171-N1173 PolarHBondContact O-ND2 3.47Å; N1173-K1175 PolarHBondContact O-N 2.94Å
1174	E	77.1	Confident	86.4	Confident	126 Å²	126	69.8 Å²	69.8	59%	0.589	38%	0.379	S	S	*	.			trans	-68.2	130.5	-177.5	-75.1	-172.8	-170.4	0	0	111	S1172 P1176	S1172-E1174 PolarHBondContact O-N 2.83Å; S1172-E1174 PolarHBondContact OG-N 3.24Å; E1174-P1176 WeakPolarHBondContact O-CD 3.32Å
1175	K	83.6	Confident	86.3	Confident	106 Å²	106	71.4 Å²	71.4	46%	0.461	39%	0.388	S	S	.	.			trans	-112.8	71.9	172.2	-66.9	170.5	-179.2	172.8	0	109.3	N1173 Y1177 R1187 Y1188 T1189	N1173-K1175 PolarHBondContact O-N 2.94Å; K1175-Y1177 PolarHBondContact O-N 3.22Å; K1175-R1187 HydrophobicContact CB-CB 3.6Å; K1175-R1187 HydrophobicContact CD-CB 4.43Å; K1175-R1187 VanDerWaalsContact O-CZ 3.3Å; K1175-R1187 PolarHBondContact O-NE 3.2Å; K1175-R1187 PolarHBondContact O-NH2 2.93Å; K1175-Y1188 CarbonylContact C-O 3.4Å; K1175-Y1188 VanDerWaalsContact C-O 3.28Å; K1175-Y1188 WeakPolarHBondContact CA-O 3.38Å; K1175-T1189 HydrophobicContact CG-CG2 3.63Å
1176	P	82.2	Confident	86.5	Confident	73 Å²	73	72.7 Å²	72.7	47%	0.474	39%	0.393	S	S	.	.			trans	-73.5	-16.9	-175.6	30.7	-34.9	0	0	0	112.5	E1174 T1178	E1174-P1176 WeakPolarHBondContact O-CD 3.32Å; P1176-T1178 PolarHBondContact O-N 2.89Å; P1176-T1178 VanDerWaalsContact O-N 3.16Å
1177	Y	89.3	Confident	86.6	Confident	92 Å²	92	78.6 Å²	78.6	36%	0.361	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	74.3	-178.2	-55.7	-75.9	0	0	0	111.2	K1175 Y1188 T1189 D1190 P1191	K1175-Y1177 PolarHBondContact O-N 3.22Å; Y1177-Y1188 WeakPolarHBondContact CB-O 2.97Å; Y1177-Y1188 PolarHBondContact N-O 2.94Å; Y1177-Y1188 VanDerWaalsContact N-O 3.13Å; Y1177-Y1188 WeakPolarHBondContact O-CD2 3.24Å; Y1177-Y1188 PolarHBondContact O-N 2.57Å; Y1177-T1189 WeakPolarHBondContact CE2-O 3.47Å; Y1177-D1190 VanDerWaalsContact CD2-CA 3.46Å; Y1177-P1191 HydrophobicContact CD1-CB 3.74Å; Y1177-P1191 HydrophobicContact CE1-CB 3.7Å; Y1177-P1191 HydrophobicContact CE1-CG 4.06Å; Y1177-P1191 HydrophobicContact CG-CB 4.25Å
1178	T	90.3	Very high	86.7	Confident	56 Å²	56	79.9 Å²	79.9	34%	0.344	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	141.6	172.3	-49.5	0	0	0	0	111.4	P1176 K1180 R1187	P1176-T1178 PolarHBondContact O-N 2.89Å; P1176-T1178 VanDerWaalsContact O-N 3.16Å; T1178-K1180 PolarHBondContact O-N 3.21Å; T1178-R1187 HydrophobicContact CG2-CG 3.96Å; T1178-R1187 PolarHBondContact OG1-NE 2.21Å
1179	C	94.4	Very high	86.7	Confident	8 Å²	8	76.3 Å²	76.3	5%	0.054	40%	0.401	C	S	.	.			trans	-61.1	132.4	169.4	-165.7	0	0	0	0	110.8	C1184 K1186 L1194 H1197	C1179-C1184 HydrophobicContact CB-CB 4.11Å; C1179-K1186 WeakPolarHBondContact CB-O 3.44Å; C1179-K1186 PolarHBondContact N-O 3.25Å; C1179-L1194 HydrophobicContact CB-CD1 4.14Å; C1179-H1197 PolarHBondContact SG-NE2 2.82Å
1180	K	91.4	Very high	86.8	Confident	116 Å²	116	72.9 Å²	72.9	50%	0.504	39%	0.39	S	S	.	.			trans	-103.8	17.9	176.9	-68.1	-161.4	175.9	-164.5	0	112.9	T1178 T1210	T1178-K1180 PolarHBondContact O-N 3.21Å; K1180-T1210 HydrophobicContact CB-CG2 3.89Å
1181	V	90.7	Very high	87	Confident	27 Å²	27	72.1 Å²	72.1	16%	0.164	39%	0.386	C	S	.	.	S	Bend	trans	-89.6	124.3	170.5	-176.1	0	0	0	0	107.5	G1183 C1184 V1198 H1202 T1210	V1181-G1183 PolarHBondContact O-N 2.85Å; V1181-C1184 PolarHBondContact O-N 3.33Å; V1181-V1198 HydrophobicContact CG2-CG1 4.05Å; V1181-V1198 HydrophobicContact CG2-CG2 4.5Å; V1181-H1202 HydrophobicContact CG1-CB 4.22Å; V1181-H1202 HydrophobicContact CG2-CB 4.07Å; V1181-T1210 HydrophobicContact CG2-CG2 4Å
1182	D	85.6	Confident	87.2	Confident	138 Å²	138	71.5 Å²	71.5	74%	0.738	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	133	-176.3	-56.1	-59.3	0	0	0	110.5
1183	G	85.2	Confident	87.7	Confident	79 Å²	79	71.1 Å²	71.1	81%	0.814	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	3.5	-172.1	0	0	0	0	0	115.7	V1181	V1181-G1183 PolarHBondContact O-N 2.85Å
1184	C	91.2	Very high	88.6	Confident	14 Å²	14	67.1 Å²	67.1	10%	0.095	37%	0.365	C	S	.	.			trans	-117.9	116.9	171	-163.5	0	0	0	0	113.4	C1179 V1181 K1186 H1197 H1202	C1179-C1184 HydrophobicContact CB-CB 4.11Å; V1181-C1184 PolarHBondContact O-N 3.33Å; C1184-K1186 VanDerWaalsContact C-N 3.32Å; C1184-K1186 PolarHBondContact O-N 2.8Å; C1184-H1197 VanDerWaalsContact SG-CE1 3.56Å; C1184-H1197 PolarHBondContact SG-NE2 3.2Å; C1184-H1202 VanDerWaalsContact CB-NE2 3.31Å; C1184-H1202 WeakPolarHBondContact CB-NE2 3.32Å; C1184-H1202 PolarHBondContact SG-NE2 3.07Å
1185	S	88.8	Confident	89.4	Confident	72 Å²	72	66.2 Å²	66.2	50%	0.503	36%	0.357	S	S	.	.			trans	-76.5	-15.4	179.3	68.8	0	0	0	0	114.2	E154 R1187	E154-S1185 WeakPolarHBondContact OE2-CB 3.46Å; E154-S1185 PolarHBondContact OE2-OG 2.96Å; S1185-R1187 WeakPolarHBondContact O-CG 3.49Å; S1185-R1187 PolarHBondContact O-N 3.4Å
1186	K	90.9	Very high	89.8	Confident	67 Å²	67	67.6 Å²	67.6	29%	0.291	36%	0.363	S	S	.	.			trans	-67.8	129.9	-155.1	-66.7	-178.8	161.9	83.9	0	112.8	E154 W155 C1179 C1184 Y1188	E154-K1186 IonicContact OE1-NZ 2.68Å; E154-K1186 PolarHBondContact OE1-NZ 3.03Å; W155-K1186 PolarHBondContact O-NZ 2.77Å; C1179-K1186 WeakPolarHBondContact CB-O 3.44Å; C1179-K1186 PolarHBondContact N-O 3.25Å; C1184-K1186 VanDerWaalsContact C-N 3.32Å; C1184-K1186 PolarHBondContact O-N 2.8Å; K1186-Y1188 HydrophobicContact CB-CE2 3.83Å
1187	R	91.4	Very high	90.4	Very high	142 Å²	142	64.6 Å²	64.6	54%	0.536	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	140.1	-177.1	-53.5	-177.2	60.1	172.3	-2.6	111.7	K1175 T1178 S1185	K1175-R1187 HydrophobicContact CB-CB 3.6Å; K1175-R1187 HydrophobicContact CD-CB 4.43Å; K1175-R1187 VanDerWaalsContact O-CZ 3.3Å; K1175-R1187 PolarHBondContact O-NE 3.2Å; K1175-R1187 PolarHBondContact O-NH2 2.93Å; T1178-R1187 HydrophobicContact CG2-CG 3.96Å; T1178-R1187 PolarHBondContact OG1-NE 2.21Å; S1185-R1187 WeakPolarHBondContact O-CG 3.49Å; S1185-R1187 PolarHBondContact O-N 3.4Å
1188	Y	89.7	Confident	90.5	Very high	53 Å²	53	60.3 Å²	60.3	21%	0.208	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.3	-175.9	-60.5	-87.9	0	0	0	111.7	K1175 Y1177 K1186 D1190 L1194 H1197	K1175-Y1188 CarbonylContact C-O 3.4Å; K1175-Y1188 VanDerWaalsContact C-O 3.28Å; K1175-Y1188 WeakPolarHBondContact CA-O 3.38Å; Y1177-Y1188 WeakPolarHBondContact CB-O 2.97Å; Y1177-Y1188 PolarHBondContact N-O 2.94Å; Y1177-Y1188 VanDerWaalsContact N-O 3.13Å; Y1177-Y1188 WeakPolarHBondContact O-CD2 3.24Å; Y1177-Y1188 PolarHBondContact O-N 2.57Å; K1186-Y1188 HydrophobicContact CB-CE2 3.83Å; Y1188-D1190 VanDerWaalsContact C-N 3.3Å; Y1188-D1190 WeakPolarHBondContact CB-O 3.23Å; Y1188-L1194 HydrophobicContact CD2-CB 3.88Å; Y1188-L1194 HydrophobicContact CD2-CD1 3.98Å; Y1188-L1194 HydrophobicContact CE2-CD1 4.31Å; Y1188-L1194 HydrophobicContact CG-CB 4.13Å; Y1188-H1197 HydrophobicContact CE1-CB 4.13Å; Y1188-H1197 HydrophobicContact CE2-CB 3.99Å; Y1188-H1197 AromaticContact CE2-CD2 3.29Å; Y1188-H1197 WeakPolarHBondContact CE2-CD2 3.43Å; Y1188-H1197 AromaticContact CE2-CG 3.76Å; Y1188-H1197 AromaticContact CZ-CD2 3.6Å; Y1188-H1197 AromaticContact CZ-CG 3.56Å; Y1188-H1197 WeakPolarHBondContact OH-CB 3.47Å; Y1188-H1197 PolarHBondContact OH-CD2 3.45Å; Y1188-H1197 PolarHBondContact OH-ND1 3.44Å
1189	T	86.9	Confident	90.5	Very high	39 Å²	39	64.2 Å²	64.2	24%	0.239	34%	0.338	C	S	.	.	S	Bend	trans	-77.6	-16.8	174.9	54	0	0	0	0	112.3	R1169 K1175 Y1177	R1169-T1189 WeakPolarHBondContact O-CG2 3.36Å; K1175-T1189 HydrophobicContact CG-CG2 3.63Å; Y1177-T1189 WeakPolarHBondContact CE2-O 3.47Å
1190	D	86.3	Confident	90.4	Very high	19 Å²	19	69.3 Å²	69.3	10%	0.102	37%	0.369	C	S	.	.	S	Bend	trans	-139.4	153.7	178.4	83.9	86.7	0	0	0	112.9	R1169 Y1177 Y1188 S1192 S1193 L1194	R1169-D1190 VanDerWaalsContact CZ-CB 3.41Å; Y1177-D1190 VanDerWaalsContact CD2-CA 3.46Å; Y1188-D1190 VanDerWaalsContact C-N 3.3Å; Y1188-D1190 WeakPolarHBondContact CB-O 3.23Å; D1190-S1192 VanDerWaalsContact C-N 3.34Å; D1190-S1192 PolarHBondContact O-N 3.31Å; D1190-S1192 VanDerWaalsContact OD1-CA 3.29Å; D1190-S1192 WeakPolarHBondContact OD1-CA 3.08Å; D1190-S1192 VanDerWaalsContact OD1-CB 3.24Å; D1190-S1192 WeakPolarHBondContact OD1-CB 3.46Å; D1190-S1192 PolarHBondContact OD1-N 3.47Å; D1190-S1193 PolarHBondContact OD1-N 3.34Å; D1190-S1193 WeakPolarHBondContact OD2-CB 3.28Å; D1190-S1193 PolarHBondContact OD2-OG 3.16Å; D1190-L1194 PolarHBondContact O-N 3.44Å
1191	P	89.3	Confident	90.4	Very high	49 Å²	49	68 Å²	68	32%	0.318	37%	0.37	S	S	.	.	H	α-helix	trans	-76.6	-18.8	-175.7	30.2	-32.7	0	0	0	113.4	Y1177 R1195	Y1177-P1191 HydrophobicContact CD1-CB 3.74Å; Y1177-P1191 HydrophobicContact CE1-CB 3.7Å; Y1177-P1191 HydrophobicContact CE1-CG 4.06Å; Y1177-P1191 HydrophobicContact CG-CB 4.25Å; P1191-R1195 VanDerWaalsContact O-CB 3.31Å; P1191-R1195 WeakPolarHBondContact O-CB 3.18Å; P1191-R1195 PolarHBondContact O-N 3.39Å
1192	S	89.3	Confident	90.4	Very high	57 Å²	57	69 Å²	69	40%	0.399	37%	0.373	S	S	.	.	H	α-helix	trans	-77.7	-37.7	179	-60	0	0	0	0	110.9	D1190 R1195 K1196	D1190-S1192 VanDerWaalsContact C-N 3.34Å; D1190-S1192 PolarHBondContact O-N 3.31Å; D1190-S1192 VanDerWaalsContact OD1-CA 3.29Å; D1190-S1192 WeakPolarHBondContact OD1-CA 3.08Å; D1190-S1192 VanDerWaalsContact OD1-CB 3.24Å; D1190-S1192 WeakPolarHBondContact OD1-CB 3.46Å; D1190-S1192 PolarHBondContact OD1-N 3.47Å; S1192-R1195 PolarHBondContact O-N 2.79Å; S1192-K1196 WeakPolarHBondContact O-CB 3.24Å; S1192-K1196 VanDerWaalsContact O-CG 3.23Å; S1192-K1196 WeakPolarHBondContact O-CG 3.46Å; S1192-K1196 PolarHBondContact O-N 2.8Å
1193	S	92.4	Very high	90.3	Very high	44 Å²	44	64 Å²	64	31%	0.308	35%	0.354	S	S	.	.	H	α-helix	trans	-65.1	-41.9	169.3	-64.6	0	0	0	0	111.8	D1190 K1196 H1197	D1190-S1193 PolarHBondContact OD1-N 3.34Å; D1190-S1193 WeakPolarHBondContact OD2-CB 3.28Å; D1190-S1193 PolarHBondContact OD2-OG 3.16Å; S1193-K1196 PolarHBondContact O-N 3.48Å; S1193-H1197 WeakPolarHBondContact O-CB 3.43Å; S1193-H1197 PolarHBondContact O-N 3.23Å
1194	L	95	Very high	90.1	Very high	32 Å²	32	62.9 Å²	62.9	17%	0.168	34%	0.337	C	S	.	.	H	α-helix	trans	-57.9	-48.5	169.7	169.9	60.4	0	0	0	111.2	C1179 Y1188 D1190 K1196 H1197 V1198	C1179-L1194 HydrophobicContact CB-CD1 4.14Å; Y1188-L1194 HydrophobicContact CD2-CB 3.88Å; Y1188-L1194 HydrophobicContact CD2-CD1 3.98Å; Y1188-L1194 HydrophobicContact CE2-CD1 4.31Å; Y1188-L1194 HydrophobicContact CG-CB 4.13Å; D1190-L1194 PolarHBondContact O-N 3.44Å; L1194-K1196 PolarHBondContact O-N 3.39Å; L1194-H1197 PolarHBondContact O-N 2.86Å; L1194-V1198 HydrophobicContact CD1-CG2 3.77Å; L1194-V1198 HydrophobicContact CG-CG2 4.48Å; L1194-V1198 WeakPolarHBondContact O-CG2 3.27Å; L1194-V1198 PolarHBondContact O-N 3.41Å
1195	R	93.6	Very high	89.4	Confident	108 Å²	108	68.3 Å²	68.3	41%	0.408	36%	0.361	S	S	.	.	H	α-helix	trans	-62.2	-43.1	-179.3	-168.5	-174.6	-56.3	-131.8	9	112.1	E1031 P1191 S1192 V1198 K1199 L1207	E1031-R1195 IonicContact OE1-CZ 3.82Å; E1031-R1195 IonicContact OE1-NH1 3.87Å; E1031-R1195 PolarHBondContact OE1-NH1 2.88Å; E1031-R1195 IonicContact OE1-NH2 3.11Å; E1031-R1195 PolarHBondContact OE1-NH2 3.35Å; E1031-R1195 IonicContact OE2-CZ 3.69Å; E1031-R1195 IonicContact OE2-NE 2.73Å; E1031-R1195 PolarHBondContact OE2-NE 3.25Å; E1031-R1195 IonicContact OE2-NH1 2.7Å; E1031-R1195 PolarHBondContact OE2-NH1 2.76Å; E1031-R1195 IonicContact OE2-NH2 3.06Å; E1031-R1195 PolarHBondContact OE2-NH2 3.26Å; P1191-R1195 VanDerWaalsContact O-CB 3.31Å; P1191-R1195 WeakPolarHBondContact O-CB 3.18Å; P1191-R1195 PolarHBondContact O-N 3.39Å; S1192-R1195 PolarHBondContact O-N 2.79Å; R1195-V1198 PolarHBondContact O-N 2.95Å; R1195-K1199 WeakPolarHBondContact O-CB 3.45Å; R1195-K1199 PolarHBondContact O-N 3.26Å; R1195-L1207 HydrophobicContact CB-CD2 4.4Å; R1195-L1207 HydrophobicContact CG-CD1 3.93Å; R1195-L1207 HydrophobicContact CG-CD2 3.68Å
1196	K	92.1	Very high	88.8	Confident	135 Å²	135	65.8 Å²	65.8	59%	0.587	34%	0.343	S	S	*	.	H	α-helix	trans	-58.6	-50.7	173.7	-75.1	167.5	-177.4	174.4	0	110.4	S1192 S1193 L1194 V1198 K1199 T1200	S1192-K1196 WeakPolarHBondContact O-CB 3.24Å; S1192-K1196 VanDerWaalsContact O-CG 3.23Å; S1192-K1196 WeakPolarHBondContact O-CG 3.46Å; S1192-K1196 PolarHBondContact O-N 2.8Å; S1193-K1196 PolarHBondContact O-N 3.48Å; L1194-K1196 PolarHBondContact O-N 3.39Å; K1196-V1198 PolarHBondContact O-N 2.69Å; K1196-K1199 WeakPolarHBondContact O-CB 3.35Å; K1196-K1199 PolarHBondContact O-N 3.28Å; K1196-T1200 WeakPolarHBondContact O-CG2 3.34Å; K1196-T1200 PolarHBondContact O-N 3.34Å; K1196-T1200 PolarHBondContact O-OG1 3.22Å; K1196-T1200 VanDerWaalsContact O-OG1 3.04Å
1197	H	93.7	Very high	87.9	Confident	9 Å²	9	64.3 Å²	64.3	4%	0.042	34%	0.338	C	S	.	.	H	α-helix	trans	-57	-49.2	176.8	156.1	54.4	0	0	0	113	C1179 C1184 Y1188 S1193 L1194 K1199 T1200 V1201 H1202	C1179-H1197 PolarHBondContact SG-NE2 2.82Å; C1184-H1197 VanDerWaalsContact SG-CE1 3.56Å; C1184-H1197 PolarHBondContact SG-NE2 3.2Å; Y1188-H1197 HydrophobicContact CE1-CB 4.13Å; Y1188-H1197 HydrophobicContact CE2-CB 3.99Å; Y1188-H1197 AromaticContact CE2-CD2 3.29Å; Y1188-H1197 WeakPolarHBondContact CE2-CD2 3.43Å; Y1188-H1197 AromaticContact CE2-CG 3.76Å; Y1188-H1197 AromaticContact CZ-CD2 3.6Å; Y1188-H1197 AromaticContact CZ-CG 3.56Å; Y1188-H1197 WeakPolarHBondContact OH-CB 3.47Å; Y1188-H1197 PolarHBondContact OH-CD2 3.45Å; Y1188-H1197 PolarHBondContact OH-ND1 3.44Å; S1193-H1197 WeakPolarHBondContact O-CB 3.43Å; S1193-H1197 PolarHBondContact O-N 3.23Å; L1194-H1197 PolarHBondContact O-N 2.86Å; H1197-K1199 VanDerWaalsContact C-N 3.28Å; H1197-K1199 PolarHBondContact O-N 2.88Å; H1197-T1200 PolarHBondContact O-N 3.19Å; H1197-T1200 PolarHBondContact O-OG1 2.99Å; H1197-V1201 VanDerWaalsContact ND1-CG2 3.34Å; H1197-V1201 WeakPolarHBondContact ND1-CG2 3.39Å; H1197-V1201 WeakPolarHBondContact O-CB 2.93Å; H1197-V1201 PolarHBondContact O-N 2.87Å; H1197-H1202 AromaticContact CE1-CD2 3.69Å; H1197-H1202 AromaticContact CE1-NE2 3.24Å; H1197-H1202 PolarHBondContact CE1-NE2 2.94Å; H1197-H1202 AromaticContact NE2-CD2 3.79Å; H1197-H1202 AromaticContact NE2-NE2 3.43Å; H1197-H1202 PolarHBondContact NE2-NE2 2.51Å
1198	V	91.5	Very high	86.9	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.018	34%	0.343	C	S	.	.	H	α-helix	trans	-63.5	-38.4	179.3	179.4	0	0	0	0	110.3	V1181 L1194 R1195 K1196 H1202 G1203 L1207	V1181-V1198 HydrophobicContact CG2-CG1 4.05Å; V1181-V1198 HydrophobicContact CG2-CG2 4.5Å; L1194-V1198 HydrophobicContact CD1-CG2 3.77Å; L1194-V1198 HydrophobicContact CG-CG2 4.48Å; L1194-V1198 WeakPolarHBondContact O-CG2 3.27Å; L1194-V1198 PolarHBondContact O-N 3.41Å; R1195-V1198 PolarHBondContact O-N 2.95Å; K1196-V1198 PolarHBondContact O-N 2.69Å; V1198-H1202 HydrophobicContact CG1-CB 4.3Å; V1198-H1202 CarbonylContact O-C 3.59Å; V1198-H1202 WeakPolarHBondContact O-CA 3.1Å; V1198-H1202 WeakPolarHBondContact O-CB 3.16Å; V1198-H1202 PolarHBondContact O-N 2.96Å; V1198-G1203 PolarHBondContact O-N 2.86Å; V1198-G1203 VanDerWaalsContact O-N 3.11Å; V1198-L1207 HydrophobicContact CB-CD2 3.69Å; V1198-L1207 HydrophobicContact CB-CG 4.07Å; V1198-L1207 HydrophobicContact CG1-CB 4.42Å; V1198-L1207 HydrophobicContact CG1-CD2 3.75Å; V1198-L1207 HydrophobicContact CG1-CG 3.81Å
1199	K	91.7	Very high	85.5	Confident	138 Å²	138	66.4 Å²	66.4	60%	0.6	36%	0.356	S	S	*	.	H	α-helix	trans	-63.1	-42.2	175.2	-162	174.3	-179.5	178.2	0	113	R1195 K1196 H1197 G1203 L1207	R1195-K1199 WeakPolarHBondContact O-CB 3.45Å; R1195-K1199 PolarHBondContact O-N 3.26Å; K1196-K1199 WeakPolarHBondContact O-CB 3.35Å; K1196-K1199 PolarHBondContact O-N 3.28Å; H1197-K1199 VanDerWaalsContact C-N 3.28Å; H1197-K1199 PolarHBondContact O-N 2.88Å; K1199-G1203 WeakPolarHBondContact O-CA 3.3Å; K1199-G1203 PolarHBondContact O-N 3.34Å; K1199-L1207 HydrophobicContact CB-CD1 3.75Å; K1199-L1207 HydrophobicContact CB-CG 4.5Å; K1199-L1207 HydrophobicContact CD-CD1 4.41Å; K1199-L1207 HydrophobicContact CG-CD1 4.11Å
1200	T	92.3	Very high	84.4	Confident	114 Å²	114	65.7 Å²	65.7	70%	0.699	35%	0.352	S	S	*	.	H	α-helix	trans	-90.7	-30.2	-172.3	57.4	0	0	0	0	114.6	K1196 H1197	K1196-T1200 WeakPolarHBondContact O-CG2 3.34Å; K1196-T1200 PolarHBondContact O-N 3.34Å; K1196-T1200 PolarHBondContact O-OG1 3.22Å; K1196-T1200 VanDerWaalsContact O-OG1 3.04Å; H1197-T1200 PolarHBondContact O-N 3.19Å; H1197-T1200 PolarHBondContact O-OG1 2.99Å
1201	V	91.3	Very high	83.2	Confident	88 Å²	88	67.8 Å²	67.8	53%	0.533	37%	0.368	S	S	.	.	H	α-helix	trans	-101.3	-28.5	-177.1	-175	0	0	0	0	112.1	H1197	H1197-V1201 VanDerWaalsContact ND1-CG2 3.34Å; H1197-V1201 WeakPolarHBondContact ND1-CG2 3.39Å; H1197-V1201 WeakPolarHBondContact O-CB 2.93Å; H1197-V1201 PolarHBondContact O-N 2.87Å
1202	H	90.1	Very high	81.5	Confident	49 Å²	49	70.1 Å²	70.1	23%	0.227	38%	0.377	C	S	.	.	S	Bend	trans	-120.6	4.2	-177.1	-53.4	-54.3	0	0	0	113.7	V1181 C1184 H1197 V1198 S1206	V1181-H1202 HydrophobicContact CG1-CB 4.22Å; V1181-H1202 HydrophobicContact CG2-CB 4.07Å; C1184-H1202 VanDerWaalsContact CB-NE2 3.31Å; C1184-H1202 WeakPolarHBondContact CB-NE2 3.32Å; C1184-H1202 PolarHBondContact SG-NE2 3.07Å; H1197-H1202 AromaticContact CE1-CD2 3.69Å; H1197-H1202 AromaticContact CE1-NE2 3.24Å; H1197-H1202 PolarHBondContact CE1-NE2 2.94Å; H1197-H1202 AromaticContact NE2-CD2 3.79Å; H1197-H1202 AromaticContact NE2-NE2 3.43Å; H1197-H1202 PolarHBondContact NE2-NE2 2.51Å; V1198-H1202 HydrophobicContact CG1-CB 4.3Å; V1198-H1202 CarbonylContact O-C 3.59Å; V1198-H1202 WeakPolarHBondContact O-CA 3.1Å; V1198-H1202 WeakPolarHBondContact O-CB 3.16Å; V1198-H1202 PolarHBondContact O-N 2.96Å; H1202-S1206 VanDerWaalsContact CB-CB 3.46Å; H1202-S1206 WeakPolarHBondContact CB-OG 3.23Å; H1202-S1206 WeakPolarHBondContact O-CB 3.5Å; H1202-S1206 PolarHBondContact O-OG 3.18Å
1203	G	83.8	Confident	79.7	Confident	32 Å²	32	71.2 Å²	71.2	33%	0.33	38%	0.376	S	S	.	.	H	α-helix	trans	72	168.3	-180	0	0	0	0	0	114.7	V1198 K1199 E1205 S1206	V1198-G1203 PolarHBondContact O-N 2.86Å; V1198-G1203 VanDerWaalsContact O-N 3.11Å; K1199-G1203 WeakPolarHBondContact O-CA 3.3Å; K1199-G1203 PolarHBondContact O-N 3.34Å; G1203-E1205 VanDerWaalsContact C-N 3.28Å; G1203-E1205 PolarHBondContact O-N 3.17Å; G1203-S1206 PolarHBondContact O-N 3.2Å
1204	A	80.3	Confident	77.6	Confident	57 Å²	57	77.2 Å²	77.2	47%	0.471	40%	0.396	S	S	.	.	H	α-helix	trans	-61.7	-33	-179.2	0	0	0	0	0	113.3	S1206 L1207 M1208	A1204-S1206 PolarHBondContact O-N 3.27Å; A1204-L1207 WeakPolarHBondContact O-CB 3.44Å; A1204-L1207 PolarHBondContact O-N 2.88Å; A1204-M1208 PolarHBondContact O-N 3.45Å
1205	E	77	Confident	75.3	Confident	128 Å²	128	83.8 Å²	83.8	60%	0.598	42%	0.424	S	S	*	.	H	α-helix	trans	-57.3	-36.7	175.6	-69.1	-171.2	-154.9	0	0	113.2	G1203 L1207 M1208 K1209	G1203-E1205 VanDerWaalsContact C-N 3.28Å; G1203-E1205 PolarHBondContact O-N 3.17Å; E1205-L1207 VanDerWaalsContact C-N 3.34Å; E1205-M1208 WeakPolarHBondContact O-CB 3.37Å; E1205-M1208 PolarHBondContact O-N 3.44Å; E1205-M1208 VanDerWaalsContact O-N 3.17Å; E1205-K1209 WeakPolarHBondContact O-CG 3.39Å; E1205-K1209 PolarHBondContact O-N 2.89Å; E1205-K1209 IonicContact OE2-NZ 3.71Å; E1205-K1209 PolarHBondContact OE2-NZ 3.25Å
1206	S	75.5	Confident	72.5	Confident	18 Å²	18	84.6 Å²	84.6	13%	0.126	44%	0.436	C	S	.	.	H	α-helix	trans	-75.2	-27	-177	-62.8	0	0	0	0	111.9	H1202 G1203 A1204 T1210	H1202-S1206 VanDerWaalsContact CB-CB 3.46Å; H1202-S1206 WeakPolarHBondContact CB-OG 3.23Å; H1202-S1206 WeakPolarHBondContact O-CB 3.5Å; H1202-S1206 PolarHBondContact O-OG 3.18Å; G1203-S1206 PolarHBondContact O-N 3.2Å; A1204-S1206 PolarHBondContact O-N 3.27Å; S1206-T1210 WeakPolarHBondContact O-CB 3.24Å; S1206-T1210 WeakPolarHBondContact O-CG2 3.29Å; S1206-T1210 PolarHBondContact O-N 2.91Å; S1206-T1210 PolarHBondContact O-OG1 2.59Å
1207	L	73.1	Confident	70.1	Confident	36 Å²	36	81.4 Å²	81.4	19%	0.188	43%	0.431	C	S	.	.	H	α-helix	trans	-64.9	-41.4	165.4	-81	-178.7	0	0	0	111.5	R1195 V1198 K1199 A1204 E1205 T1210 S1211	R1195-L1207 HydrophobicContact CB-CD2 4.4Å; R1195-L1207 HydrophobicContact CG-CD1 3.93Å; R1195-L1207 HydrophobicContact CG-CD2 3.68Å; V1198-L1207 HydrophobicContact CB-CD2 3.69Å; V1198-L1207 HydrophobicContact CB-CG 4.07Å; V1198-L1207 HydrophobicContact CG1-CB 4.42Å; V1198-L1207 HydrophobicContact CG1-CD2 3.75Å; V1198-L1207 HydrophobicContact CG1-CG 3.81Å; K1199-L1207 HydrophobicContact CB-CD1 3.75Å; K1199-L1207 HydrophobicContact CB-CG 4.5Å; K1199-L1207 HydrophobicContact CD-CD1 4.41Å; K1199-L1207 HydrophobicContact CG-CD1 4.11Å; A1204-L1207 WeakPolarHBondContact O-CB 3.44Å; A1204-L1207 PolarHBondContact O-N 2.88Å; E1205-L1207 VanDerWaalsContact C-N 3.34Å; L1207-T1210 PolarHBondContact O-OG1 3.19Å; L1207-S1211 VanDerWaalsContact O-CB 3.23Å; L1207-S1211 WeakPolarHBondContact O-CB 3.48Å; L1207-S1211 PolarHBondContact O-N 3.31Å; L1207-S1211 PolarHBondContact O-OG 3.11Å
1208	M	69.3	Low	67.4	Low	129 Å²	129	90.6 Å²	90.6	64%	0.635	47%	0.471	S	S	*	.	H	α-helix	trans	-63.8	-49.3	175.9	-64.1	179	173.5	0	0	111.1	A1204 E1205 T1210 S1211 L1212	A1204-M1208 PolarHBondContact O-N 3.45Å; E1205-M1208 WeakPolarHBondContact O-CB 3.37Å; E1205-M1208 PolarHBondContact O-N 3.44Å; E1205-M1208 VanDerWaalsContact O-N 3.17Å; M1208-T1210 PolarHBondContact O-N 3.48Å; M1208-S1211 PolarHBondContact O-N 3Å; M1208-L1212 WeakPolarHBondContact O-CB 3.24Å; M1208-L1212 VanDerWaalsContact O-CG 3.31Å; M1208-L1212 WeakPolarHBondContact O-CG 3.24Å; M1208-L1212 PolarHBondContact O-N 3.38Å
1209	K	61.6	Low	64.6	Low	111 Å²	111	94 Å²	94	48%	0.483	51%	0.506	S	S	.	.	H	α-helix	trans	-59.9	-44.3	179.1	-69.5	163.7	-170.3	162.2	0	112.3	E1205 L1212 Q1213	E1205-K1209 WeakPolarHBondContact O-CG 3.39Å; E1205-K1209 PolarHBondContact O-N 2.89Å; E1205-K1209 IonicContact OE2-NZ 3.71Å; E1205-K1209 PolarHBondContact OE2-NZ 3.25Å; K1209-L1212 PolarHBondContact O-N 3.21Å; K1209-Q1213 WeakPolarHBondContact O-CG 3.47Å; K1209-Q1213 PolarHBondContact O-N 3.25Å; K1209-Q1213 VanDerWaalsContact O-N 3.11Å
1210	T	62.8	Low	61.9	Low	24 Å²	24	93.4 Å²	93.4	15%	0.147	51%	0.514	C	S	.	.	H	α-helix	trans	-72.1	-28.1	177.3	53.3	0	0	0	0	113.4	K1180 V1181 S1206 L1207 M1208	K1180-T1210 HydrophobicContact CB-CG2 3.89Å; V1181-T1210 HydrophobicContact CG2-CG2 4Å; S1206-T1210 WeakPolarHBondContact O-CB 3.24Å; S1206-T1210 WeakPolarHBondContact O-CG2 3.29Å; S1206-T1210 PolarHBondContact O-N 2.91Å; S1206-T1210 PolarHBondContact O-OG1 2.59Å; L1207-T1210 PolarHBondContact O-OG1 3.19Å; M1208-T1210 PolarHBondContact O-N 3.48Å
1211	S	61.1	Low	58.8	Low	63 Å²	63	94.8 Å²	94.8	44%	0.441	52%	0.517	S	S	.	.	H	α-helix	trans	-72.9	-38.9	172.3	-59.4	0	0	0	0	112.3	L1207 M1208 K1214	L1207-S1211 VanDerWaalsContact O-CB 3.23Å; L1207-S1211 WeakPolarHBondContact O-CB 3.48Å; L1207-S1211 PolarHBondContact O-N 3.31Å; L1207-S1211 PolarHBondContact O-OG 3.11Å; M1208-S1211 PolarHBondContact O-N 3Å; S1211-K1214 PolarHBondContact O-N 3.43Å
1212	L	53.6	Low	56	Low	98 Å²	98	99.9 Å²	99.9	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-62.7	-42.2	173.8	-72.9	166	0	0	0	111.6	M1208 K1209 K1214 K1215 N1216	M1208-L1212 WeakPolarHBondContact O-CB 3.24Å; M1208-L1212 VanDerWaalsContact O-CG 3.31Å; M1208-L1212 WeakPolarHBondContact O-CG 3.24Å; M1208-L1212 PolarHBondContact O-N 3.38Å; K1209-L1212 PolarHBondContact O-N 3.21Å; L1212-K1214 PolarHBondContact O-N 3.07Å; L1212-K1214 VanDerWaalsContact O-N 3.16Å; L1212-K1215 PolarHBondContact O-N 2.93Å; L1212-N1216 PolarHBondContact O-N 2.82Å; L1212-N1216 PolarHBondContact O-OD1 3.46Å
1213	Q	51.4	Low	53.4	Low	79 Å²	79	103 Å²	103	37%	0.369	56%	0.555	S	S	.	*	H	α-helix	trans	-60.1	-25.5	176.5	-73.9	-173.5	15.6	0	0	113.8	K1209	K1209-Q1213 WeakPolarHBondContact O-CG 3.47Å; K1209-Q1213 PolarHBondContact O-N 3.25Å; K1209-Q1213 VanDerWaalsContact O-N 3.11Å
1214	K	48.4	Very low	50.6	Low	170 Å²	170	110.5 Å²	110.5	74%	0.739	58%	0.584	S	S	*	*	H	α-helix	trans	-77	-21.5	173.1	-76.8	-171	174.9	-175	0	114	S1211 L1212	S1211-K1214 PolarHBondContact O-N 3.43Å; L1212-K1214 PolarHBondContact O-N 3.07Å; L1212-K1214 VanDerWaalsContact O-N 3.16Å
1215	K	46.4	Very low	48.2	Very low	170 Å²	170	112.9 Å²	112.9	74%	0.739	58%	0.584	S	S	*	*	H	α-helix	trans	-85	-20	178.8	-67.1	-171.9	176.3	-174.5	0	113.2	L1212 S1217	L1212-K1215 PolarHBondContact O-N 2.93Å; K1215-S1217 PolarHBondContact O-N 3.49Å
1216	N	34.7	Very low	46	Very low	126 Å²	126	112.5 Å²	112.5	67%	0.674	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	16.9	-172	-66.1	5.1	0	0	0	114.8	L1212	L1212-N1216 PolarHBondContact O-N 2.82Å; L1212-N1216 PolarHBondContact O-OD1 3.46Å
1217	S	42.1	Very low	43.7	Very low	68 Å²	68	122 Å²	122	48%	0.476	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.1	14.6	-179.8	-136.4	0	0	0	0	113.8	K1215 N2253	K1215-S1217 PolarHBondContact O-N 3.49Å; S1217-N2253 PolarHBondContact OG-ND2 3.11Å
1218	F	36.5	Very low	41.7	Very low	201 Å²	201	124.7 Å²	124.7	88%	0.882	65%	0.652	S	S	*	*	S	Bend	trans	-119.5	156.8	167.2	-94.4	-94.7	0	0	0	109.8	V1220	F1218-V1220 PolarHBondContact O-N 3.04Å
1219	G	33.6	Very low	39.7	Very low	74 Å²	74	126.7 Å²	126.7	76%	0.763	67%	0.665	S	S	*	*			trans	-66	109	-156	0	0	0	0	0	118
1220	V	35	Very low	38.4	Very low	126 Å²	126	129.3 Å²	129.3	76%	0.764	68%	0.677	S	S	*	*			trans	59.1	122.2	133.3	-163.6	0	0	0	0	120.3	F1218	F1218-V1220 PolarHBondContact O-N 3.04Å
1221	N	26.8	Very low	36.9	Very low	143 Å²	143	137.1 Å²	137.1	77%	0.765	71%	0.709	S	S	*	*			trans	52	101.9	157.2	-76	-42.4	0	0	0	120.5
1222	M	33.8	Very low	35.3	Very low	196 Å²	196	143 Å²	143	97%	0.966	73%	0.729	S	S	*	*	S	Bend		-135.6	71.4	123.7	-154.4	170.7	-168.1	0	0	113.2
1223	L	35.1	Very low	34.2	Very low	114 Å²	114	148.3 Å²	148.3	60%	0.597	75%	0.748	S	S	*	*			trans	56.1	80.4	143.7	-147.6	79.6	0	0	0	120.5	K1225	L1223-K1225 HydrophobicContact CD1-CB 4.18Å; L1223-K1225 HydrophobicContact CD1-CD 3.85Å; L1223-K1225 HydrophobicContact CD1-CG 3.87Å; L1223-K1225 HydrophobicContact CD2-CB 4.13Å; L1223-K1225 HydrophobicContact CG-CB 3.81Å; L1223-K1225 HydrophobicContact CG-CD 4.43Å; L1223-K1225 HydrophobicContact CG-CG 4.01Å; L1223-K1225 PolarHBondContact O-N 2.76Å
1224	M	25.7	Very low	33	Very low	189 Å²	189	148 Å²	148	93%	0.931	77%	0.766	S	S	*	*			trans	-73.5	71.2	153.6	-128.5	-78	-162.9	0	0	110.1
1225	K	29.3	Very low	32.1	Very low	107 Å²	107	148.1 Å²	148.1	47%	0.465	77%	0.769	S	S	.	*			trans	-136	38.8	175.1	-63.6	-167.2	-176.2	166.4	0	115.2	L1223 N2327	L1223-K1225 HydrophobicContact CD1-CB 4.18Å; L1223-K1225 HydrophobicContact CD1-CD 3.85Å; L1223-K1225 HydrophobicContact CD1-CG 3.87Å; L1223-K1225 HydrophobicContact CD2-CB 4.13Å; L1223-K1225 HydrophobicContact CG-CB 3.81Å; L1223-K1225 HydrophobicContact CG-CD 4.43Å; L1223-K1225 HydrophobicContact CG-CG 4.01Å; L1223-K1225 PolarHBondContact O-N 2.76Å; K1225-N2327 PolarHBondContact NZ-OD1 3.4Å
1226	V	29.5	Very low	31.4	Very low	121 Å²	121	143 Å²	143	73%	0.733	75%	0.754	S	S	*	*	S	Bend	trans	-140.5	111	149.9	-169.5	0	0	0	0	105.9
1227	Y	27.7	Very low	31	Very low	217 Å²	217	144.8 Å²	144.8	85%	0.851	75%	0.752	S	S	*	*			cis	-110.2	152	15.1	-73.2	-103.1	0	0	0	113.3
1228	A	30.8	Very low	30.4	Very low	92 Å²	92	145.7 Å²	145.7	76%	0.76	76%	0.758	S	S	*	*			trans	-103.6	137	167.7	0	0	0	0	0	110.5
1229	N	27.1	Very low	30.2	Very low	171 Å²	171	141.7 Å²	141.7	91%	0.914	75%	0.746	S	S	*	*			trans	-122.2	108.6	170.6	-97.3	-24.2	0	0	0	111.3
1230	K	35.1	Very low	30.1	Very low	166 Å²	166	148.6 Å²	148.6	72%	0.722	75%	0.749	S	S	*	*			trans	-140.6	135.4	165.9	-102.7	-175.8	179	179.6	0	104.4
1231	K	32.2	Very low	30.3	Very low	188 Å²	188	147.7 Å²	147.7	82%	0.817	75%	0.746	S	S	*	*			cis	-142.7	169.7	8.9	-84	172.9	175.2	173.2	0	109.9
1232	H	26.7	Very low	30.3	Very low	187 Å²	187	147.4 Å²	147.4	87%	0.866	75%	0.753	S	S	*	*			trans	-63.3	131.3	155.5	-78.9	-98.6	0	0	0	111.7
1233	K	29.4	Very low	30.2	Very low	210 Å²	210	142.1 Å²	142.1	91%	0.913	75%	0.749	S	S	*	*				170.3	135.7	120.3	-94.4	-177.4	177.1	-172	0	110.3
1234	G	28	Very low	30	Very low	72 Å²	72	140.3 Å²	140.3	74%	0.742	76%	0.758	S	S	*	*			trans	107.2	107	165.1	0	0	0	0	0	117.3
1235	E	28.3	Very low	30.4	Very low	172 Å²	172	137.2 Å²	137.2	80%	0.804	76%	0.755	S	S	*	*			trans	62.4	87.8	140.1	-66.4	167.7	-150.8	0	0	121.9	N1259	E1235-N1259 PolarHBondContact O-ND2 2.81Å
1236	S	31.5	Very low	30.6	Very low	62 Å²	62	135.2 Å²	135.2	43%	0.434	76%	0.764	S	S	.	*			trans	0.7	143.8	133.5	48.2	0	0	0	0	120.8	N1259 N1260	S1236-N1259 VanDerWaalsContact C-ND2 3.26Å; S1236-N1259 VanDerWaalsContact O-CB 3.29Å; S1236-N1259 WeakPolarHBondContact O-CB 3.4Å; S1236-N1259 PolarHBondContact O-ND2 2.92Å; S1236-N1259 VanDerWaalsContact O-ND2 3.09Å; S1236-N1260 PolarHBondContact O-ND2 2.99Å
1237	W	27.4	Very low	30.7	Very low	165 Å²	165	139.9 Å²	139.9	63%	0.625	78%	0.775	S	S	*	*			cis	-162.1	164.3	5.5	-86.3	-20.9	0	0	0	112.8	N1259 N1260	W1237-N1259 PolarHBondContact N-ND2 2.78Å; W1237-N1260 PolarHBondContact N-ND2 3.37Å
1238	S	29.6	Very low	30.8	Very low	86 Å²	86	133.3 Å²	133.3	60%	0.601	77%	0.773	S	S	*	*			trans	-35.7	171.4	156.2	53.3	0	0	0	0	120.1
1239	D	31.9	Very low	30.8	Very low	118 Å²	118	133 Å²	133	63%	0.631	78%	0.779	S	S	*	*			cis	-173.5	142	-19.4	-105.9	-82.6	0	0	0	109.9
1240	R	32.3	Very low	30.9	Very low	219 Å²	219	127.8 Å²	127.8	83%	0.826	77%	0.766	S	S	*	*			trans	62.8	169.5	142.5	-65.3	175.2	-154.7	-142.6	2	121.5
1241	P	37.3	Very low	30.5	Very low	107 Å²	107	128.8 Å²	128.8	70%	0.695	77%	0.773	S	S	*	*			cis	-142.5	170.4	-49.6	42.3	-26.6	0	0	0	116.7
1242	C	28.1	Very low	30.3	Very low	136 Å²	136	126.1 Å²	126.1	92%	0.919	77%	0.767	S	S	*	*			trans	69.8	131.4	152.5	-66.8	0	0	0	0	121.6
1243	G	30.6	Very low	30.4	Very low	85 Å²	85	127.1 Å²	127.1	88%	0.876	77%	0.769	S	S	*	*			trans	-170	4.6	-179.8	0	0	0	0	0	121.1
1244	G	30.9	Very low	30.5	Very low	76 Å²	76	120.9 Å²	120.9	78%	0.784	77%	0.765	S	S	*	*			trans	99.2	141.8	165.2	0	0	0	0	0	119.4
1245	S	35.6	Very low	30.6	Very low	124 Å²	124	124.8 Å²	124.8	87%	0.867	77%	0.769	S	S	*	*			trans	-25.9	154.3	167.7	50.8	0	0	0	0	119.2
1246	G	32.9	Very low	30.7	Very low	65 Å²	65	122 Å²	122	67%	0.67	77%	0.768	S	S	*	*			cis	157	146.9	7.8	0	0	0	0	0	107.4
1247	F	31.2	Very low	30.4	Very low	220 Å²	220	126.2 Å²	126.2	97%	0.965	79%	0.785	S	S	*	*				-173.4	164.2	62.8	-101.4	-95.5	0	0	0	109.8
1248	G	30.7	Very low	30.3	Very low	78 Å²	78	124.6 Å²	124.6	80%	0.804	79%	0.789	S	S	*	*			trans	105.7	126.8	166.8	0	0	0	0	0	114.7
1249	G	29.6	Very low	30.1	Very low	85 Å²	85	124.3 Å²	124.3	88%	0.876	78%	0.781	S	S	*	*			trans	-110.6	-178.1	173.9	0	0	0	0	0	112.2
1250	G	29.6	Very low	29.8	Very low	63 Å²	63	122.2 Å²	122.2	65%	0.649	77%	0.77	S	S	*	*			cis	167.4	157.1	-3.3	0	0	0	0	0	112
1251	H	27.8	Very low	29.5	Very low	187 Å²	187	115 Å²	115	87%	0.866	75%	0.753	S	S	*	*			trans	67.8	143.4	-175.8	-58.1	-82.4	0	0	0	114.5
1252	L	26.9	Very low	28.9	Very low	132 Å²	132	119.1 Å²	119.1	69%	0.691	76%	0.756	S	S	*	*			cis	-135.8	172.4	12.5	-72.2	168.8	0	0	0	113.1
1253	F	28.7	Very low	29	Very low	207 Å²	207	118 Å²	118	91%	0.908	75%	0.747	S	S	*	*			trans	71.6	132.7	164.2	-59	-74.3	0	0	0	120
1254	G	31	Very low	28.8	Very low	80 Å²	80	117.9 Å²	117.9	83%	0.825	73%	0.733	S	S	*	*			trans	144.7	87.2	163.9	0	0	0	0	0	118.5
1255	N	30.5	Very low	28.7	Very low	154 Å²	154	122 Å²	122	82%	0.824	73%	0.731	S	S	*	*			trans	10.4	126.1	156.6	-73.1	1	0	0	0	124.2
1256	S	31	Very low	28.4	Very low	113 Å²	113	120 Å²	120	79%	0.79	71%	0.711	S	S	*	*			trans	46.4	144.6	130	66	0	0	0	0	124.5
1257	N	24.2	Very low	28.5	Very low	150 Å²	150	126.5 Å²	126.5	80%	0.802	72%	0.721	S	S	*	*			trans	-81.3	157.5	-175.5	-48.7	-32.9	0	0	0	116.2
1258	N	27	Very low	28.6	Very low	131 Å²	131	124.8 Å²	124.8	70%	0.701	71%	0.708	S	S	*	*				143.9	125.1	122.8	-89.6	7.6	0	0	0	115.8
1259	N	25	Very low	28.8	Very low	80 Å²	80	124.8 Å²	124.8	43%	0.428	70%	0.696	S	S	.	*				74.9	103.5	130	-62	-0.4	0	0	0	123.3	E1235 S1236 W1237	E1235-N1259 PolarHBondContact O-ND2 2.81Å; S1236-N1259 VanDerWaalsContact C-ND2 3.26Å; S1236-N1259 VanDerWaalsContact O-CB 3.29Å; S1236-N1259 WeakPolarHBondContact O-CB 3.4Å; S1236-N1259 PolarHBondContact O-ND2 2.92Å; S1236-N1259 VanDerWaalsContact O-ND2 3.09Å; W1237-N1259 PolarHBondContact N-ND2 2.78Å
1260	N	25.6	Very low	29	Very low	74 Å²	74	128.3 Å²	128.3	40%	0.396	69%	0.694	S	S	.	*				103.5	137.9	104.5	-165.4	26.6	0	0	0	121.1	S1236 W1237	S1236-N1260 PolarHBondContact O-ND2 2.99Å; W1237-N1260 PolarHBondContact N-ND2 3.37Å
1261	S	25.3	Very low	29.2	Very low	67 Å²	67	128.2 Å²	128.2	47%	0.469	69%	0.694	S	S	.	*			trans	76.4	109.4	151.3	-76.1	0	0	0	0	122.4
1262	Y	24.8	Very low	29.5	Very low	194 Å²	194	125.2 Å²	125.2	76%	0.761	69%	0.694	S	S	*	*				58.1	149.3	125.1	-69.5	-71.3	0	0	0	120.4
1263	P	30.5	Very low	29.6	Very low	114 Å²	114	127 Å²	127	74%	0.74	70%	0.7	S	S	*	*			cis	-133.3	171.2	29.6	37.6	-18.1	0	0	0	118
1264	S	26.6	Very low	30.1	Very low	82 Å²	82	123.1 Å²	123.1	57%	0.573	70%	0.696	S	S	*	*			trans	-9.1	159.4	130.4	-34.4	0	0	0	0	116.8
1265	Q	27.9	Very low	30.3	Very low	162 Å²	162	122 Å²	122	76%	0.757	69%	0.685	S	S	*	*			cis	-178.5	-168.6	32.2	-148	155.3	-15.7	0	0	111.6
1266	D	29.8	Very low	30.5	Very low	82 Å²	82	122.3 Å²	122.3	44%	0.439	69%	0.685	S	S	.	*			trans	78.9	137	146.9	-67	-26.3	0	0	0	118.2	R1268	D1266-R1268 HydrophobicContact CB-CG 3.77Å; D1266-R1268 VanDerWaalsContact CG-CG 3.43Å; D1266-R1268 WeakPolarHBondContact OD1-CG 3.36Å; D1266-R1268 IonicContact OD1-NE 3.4Å; D1266-R1268 IonicContact OD2-CZ 2.76Å; D1266-R1268 IonicContact OD2-NE 3.69Å; D1266-R1268 PolarHBondContact OD2-NE 3.28Å; D1266-R1268 IonicContact OD2-NH2 2.7Å; D1266-R1268 PolarHBondContact OD2-NH2 3.46Å
1267	K	36	Very low	30.5	Very low	202 Å²	202	125.9 Å²	125.9	88%	0.878	68%	0.681	S	S	*	*			cis	-111.9	138.9	38.6	-72.1	161.9	-173.8	172.6	0	113.7
1268	R	33.1	Very low	30.9	Very low	184 Å²	184	122.3 Å²	122.3	69%	0.694	68%	0.68	S	S	*	*			cis	91.1	148	41.4	-80.2	-174	-170.3	178.1	10	114.1	D1266	D1266-R1268 HydrophobicContact CB-CG 3.77Å; D1266-R1268 VanDerWaalsContact CG-CG 3.43Å; D1266-R1268 WeakPolarHBondContact OD1-CG 3.36Å; D1266-R1268 IonicContact OD1-NE 3.4Å; D1266-R1268 IonicContact OD2-CZ 2.76Å; D1266-R1268 IonicContact OD2-NE 3.69Å; D1266-R1268 PolarHBondContact OD2-NE 3.28Å; D1266-R1268 IonicContact OD2-NH2 2.7Å; D1266-R1268 PolarHBondContact OD2-NH2 3.46Å
1269	S	33.5	Very low	31.3	Very low	78 Å²	78	126.6 Å²	126.6	55%	0.545	69%	0.686	S	S	.	*			cis	-177.4	172.2	-24.2	52.7	0	0	0	0	111.3
1270	N	34.8	Very low	31.4	Very low	158 Å²	158	131.9 Å²	131.9	85%	0.845	71%	0.706	S	S	*	*			trans	123.2	145	140.8	-62	-28.1	0	0	0	114.4
1271	G	33.1	Very low	31.6	Very low	62 Å²	62	131.7 Å²	131.7	64%	0.639	72%	0.721	S	S	*	*			cis	168.3	169.4	-4.7	0	0	0	0	0	112.6
1272	S	34.8	Very low	32.7	Very low	123 Å²	123	134.5 Å²	134.5	86%	0.86	74%	0.738	S	S	*	*			trans	74	121.7	177.8	-51.5	0	0	0	0	116.1
1273	M	28	Very low	32.9	Very low	169 Å²	169	137.6 Å²	137.6	83%	0.833	75%	0.748	S	S	*	*			cis	66.7	158.3	5.8	-78.9	-73	172.8	0	0	116.5
1274	P	39.9	Very low	32.9	Very low	126 Å²	126	135.8 Å²	135.8	82%	0.818	75%	0.75	S	S	*	*			cis	-93	-167.6	6.4	40.5	-38.7	0	0	0	114.2
1275	G	35.1	Very low	33	Very low	58 Å²	58	139.9 Å²	139.9	60%	0.598	76%	0.762	S	S	*	*			cis	149.1	-170.4	-9.9	0	0	0	0	0	114.1
1276	I	34.1	Very low	33.1	Very low	159 Å²	159	138 Å²	138	82%	0.815	76%	0.757	S	S	*	*			trans	75.9	122.2	173.5	-56.5	178.9	0	0	0	115.8
1277	R	31.9	Very low	33	Very low	188 Å²	188	140.2 Å²	140.2	71%	0.709	77%	0.769	S	S	*	*			cis	-141	-167.6	-2.1	-113.2	164.9	-167.2	-169.1	2.5	107.8	P1304	R1277-P1304 PolarHBondContact NH2-O 2.79Å
1278	G	31.9	Very low	32.5	Very low	75 Å²	75	138.8 Å²	138.8	77%	0.773	77%	0.771	S	S	*	*			cis	112.6	131	15.3	0	0	0	0	0	110.9
1279	R	34.6	Very low	32.3	Very low	222 Å²	222	133.9 Å²	133.9	84%	0.838	78%	0.778	S	S	*	*			cis	-143	-109	10.5	-172.3	-137	174.6	-170.6	3.2	114.4
1280	F	28.3	Very low	32.1	Very low	191 Å²	191	137.1 Å²	137.1	84%	0.838	79%	0.789	S	S	*	*			trans	-167.1	162.5	-161	-90.4	-107.9	0	0	0	109.8
1281	G	29.8	Very low	32	Very low	70 Å²	70	136.2 Å²	136.2	72%	0.722	78%	0.783	S	S	*	*			trans	121.6	136.7	149.4	0	0	0	0	0	118.6
1282	P	47.4	Very low	31.9	Very low	125 Å²	125	142.9 Å²	142.9	81%	0.812	79%	0.794	S	S	*	*			trans	-121.9	158.9	-177.8	41.3	-30.9	0	0	0	117.3
1283	R	29.1	Very low	31.5	Very low	260 Å²	260	145.3 Å²	145.3	98%	0.981	79%	0.792	S	S	*	*			trans	63.8	139.2	178	-58.2	-178.2	175.5	-169.9	-2.9	114.4
1284	G	30.5	Very low	31.5	Very low	76 Å²	76	148.4 Å²	148.4	78%	0.784	79%	0.794	S	S	*	*			cis	166.1	172.6	-0.5	0	0	0	0	0	108.3
1285	M	29.2	Very low	31	Very low	167 Å²	167	145.7 Å²	145.7	82%	0.823	79%	0.789	S	S	*	*			cis	-164.8	179.6	-5.1	-156.2	172.4	78	0	0	108.3
1286	N	29.9	Very low	30.8	Very low	123 Å²	123	148.9 Å²	148.9	66%	0.658	80%	0.797	S	S	*	*			trans	69.7	163	177.5	-46.1	10.7	0	0	0	114.3
1287	D	28.7	Very low	30.7	Very low	129 Å²	129	151.5 Å²	151.5	69%	0.69	80%	0.798	S	S	*	*			cis	-159.8	147.1	-40.4	-92.2	-31.3	0	0	0	108.3
1288	N	25.8	Very low	30.8	Very low	171 Å²	171	147.8 Å²	147.8	91%	0.914	80%	0.797	S	S	*	*			trans	60.7	159.3	172.2	-56.8	-39.6	0	0	0	117.6
1289	G	28.6	Very low	30.8	Very low	81 Å²	81	151.1 Å²	151.1	84%	0.835	80%	0.797	S	S	*	*			trans	138.7	95	166.3	0	0	0	0	0	115.5
1290	N	28.9	Very low	30.6	Very low	147 Å²	147	150.9 Å²	150.9	79%	0.786	80%	0.796	S	S	*	*			trans	-78	150	178.7	-127.3	-9.5	0	0	0	112.8
1291	I	32.8	Very low	30.7	Very low	138 Å²	138	148 Å²	148	71%	0.708	79%	0.785	S	S	*	*			trans	71.9	143.9	143.1	-68.5	163.5	0	0	0	120	H1293	I1291-H1293 PolarHBondContact O-N 3.5Å
1292	F	30.8	Very low	30.8	Very low	202 Å²	202	150.5 Å²	150.5	89%	0.886	78%	0.778	S	S	*	*			trans	-63.2	109	165.3	-111.8	-98.6	0	0	0	111.6
1293	H	26.9	Very low	29.7	Very low	175 Å²	175	154.8 Å²	154.8	81%	0.81	78%	0.778	S	S	*	*			trans	-147	155.4	143.2	-120.6	-95.1	0	0	0	111.4	I1291	I1291-H1293 PolarHBondContact O-N 3.5Å
1294	R	27	Very low	29.9	Very low	233 Å²	233	146.3 Å²	146.3	88%	0.879	76%	0.757	S	S	*	*			trans	-52.7	136.6	-164.6	-60.6	166.1	169.4	168.1	-6.1	117.1
1295	G	29	Very low	29.7	Very low	69 Å²	69	148 Å²	148	71%	0.711	76%	0.757	S	S	*	*			trans	73.5	165.6	134.9	0	0	0	0	0	118.8
1296	T	30.9	Very low	29.7	Very low	126 Å²	126	145.1 Å²	145.1	77%	0.773	75%	0.753	S	S	*	*			cis	-163.1	161.3	-13.6	32.4	0	0	0	0	109.6
1297	Y	33.2	Very low	29.6	Very low	213 Å²	213	145.3 Å²	145.3	84%	0.835	76%	0.764	S	S	*	*			trans	85.7	145.9	159.6	-81.1	-72.8	0	0	0	122.6
1298	T	33.5	Very low	29.8	Very low	111 Å²	111	144.1 Å²	144.1	68%	0.681	77%	0.766	S	S	*	*			trans	63.1	90.4	158	50	0	0	0	0	121.7
1299	D	31.9	Very low	29.9	Very low	145 Å²	145	143.8 Å²	143.8	78%	0.775	76%	0.764	S	S	*	*				99	132.9	110.2	-75.5	-30.8	0	0	0	124.2
1300	R	30.5	Very low	30.4	Very low	216 Å²	216	145.1 Å²	145.1	82%	0.815	76%	0.758	S	S	*	*			trans	62.9	140.4	158.3	-71.2	-175.4	141.6	137.4	-0.7	118.7
1301	E	31	Very low	30.5	Very low	130 Å²	130	148.6 Å²	148.6	61%	0.607	76%	0.76	S	S	*	*			cis	-165.3	164.9	-16.3	-124.8	-176.5	-93.8	0	0	106.6
1302	Q	30.3	Very low	30.4	Very low	124 Å²	124	148 Å²	148	58%	0.579	76%	0.758	S	S	*	*			cis	-156.6	162.2	5.1	-165.2	-168.2	94.7	0	0	108.5
1303	R	25.8	Very low	30.2	Very low	215 Å²	215	142.7 Å²	142.7	81%	0.811	75%	0.746	S	S	*	*			trans	77.2	157.7	163.4	-52.6	-171	177.1	-162.8	-5	118.9
1304	P	33.2	Very low	30.3	Very low	82 Å²	82	139.6 Å²	139.6	53%	0.532	74%	0.743	S	S	.	*			cis	-122.4	138	-9.6	27	-7.9	0	0	0	114.6	R1277	R1277-P1304 PolarHBondContact NH2-O 2.79Å
1305	S	25.2	Very low	30.5	Very low	111 Å²	111	135.4 Å²	135.4	78%	0.776	74%	0.737	S	S	*	*			trans	-122.8	171.3	165.2	52.1	0	0	0	0	110.7
1306	S	30.6	Very low	30.4	Very low	107 Å²	107	136.2 Å²	136.2	75%	0.748	74%	0.737	S	S	*	*			trans	51.7	105	177.4	57.3	0	0	0	0	117.9
1307	S	26.4	Very low	30.2	Very low	126 Å²	126	135.5 Å²	135.5	88%	0.881	74%	0.736	S	S	*	*			trans	-90.1	123.2	147.8	54	0	0	0	0	109.3
1308	S	33.8	Very low	29.9	Very low	105 Å²	105	132.7 Å²	132.7	73%	0.734	74%	0.735	S	S	*	*			trans	-153	98	169.4	59.1	0	0	0	0	112.8
1309	N	28.6	Very low	29.7	Very low	164 Å²	164	132.8 Å²	132.8	88%	0.877	74%	0.74	S	S	*	*			trans	53.9	161	145.4	-87.7	-4.8	0	0	0	121.4
1310	P	39.4	Very low	29.6	Very low	108 Å²	108	133.2 Å²	133.2	70%	0.701	74%	0.742	S	S	*	*			trans	-107.8	177.4	-158.7	41.5	-34.5	0	0	0	112.4
1311	R	29.6	Very low	30.2	Very low	220 Å²	220	128.5 Å²	128.5	83%	0.83	74%	0.74	S	S	*	*				-174.9	157.7	116.4	-103.1	-177.5	167.6	139	0.4	112.4
1312	D	31.1	Very low	30.1	Very low	125 Å²	125	127.9 Å²	127.9	67%	0.668	74%	0.744	S	S	*	*			trans	32.7	152	131.1	-56.4	-37.7	0	0	0	121.9
1313	S	27.6	Very low	30	Very low	92 Å²	92	129.3 Å²	129.3	64%	0.643	75%	0.751	S	S	*	*			cis	-177.3	165.8	-21.5	-101.8	0	0	0	0	108.1
1314	C	28.5	Very low	30	Very low	109 Å²	109	124 Å²	124	74%	0.736	74%	0.742	S	S	*	*			trans	66.2	130.6	150.2	-76.8	0	0	0	0	121.3
1315	L	30.1	Very low	29.7	Very low	146 Å²	146	125.6 Å²	125.6	76%	0.764	75%	0.751	S	S	*	*			trans	66.9	111.7	139	-59.1	169.9	0	0	0	117
1316	A	28.3	Very low	29.8	Very low	86 Å²	86	125 Å²	125	71%	0.711	74%	0.743	S	S	*	*				77.4	142.1	76.1	0	0	0	0	0	112.4
1317	C	26	Very low	29.9	Very low	111 Å²	111	127.7 Å²	127.7	75%	0.75	75%	0.747	S	S	*	*			cis	-158	170.9	7.4	-140.8	0	0	0	0	111.7
1318	L	26.3	Very low	29.9	Very low	154 Å²	154	129.1 Å²	129.1	81%	0.806	74%	0.739	S	S	*	*			trans	70.9	142.4	156.9	-64	163	0	0	0	120.5
1319	S	30.5	Very low	30.3	Very low	113 Å²	113	129 Å²	129	79%	0.79	74%	0.736	S	S	*	*			trans	70	113.9	148.1	-59	0	0	0	0	122.2
1320	N	28.5	Very low	30.5	Very low	154 Å²	154	126.8 Å²	126.8	82%	0.824	73%	0.728	S	S	*	*			trans	-51.3	171.3	147.1	-67.9	-15.6	0	0	0	113.1
1321	P	43.8	Very low	30.1	Very low	117 Å²	117	127.1 Å²	127.1	76%	0.76	72%	0.724	S	S	*	*			cis	-131.5	-143.3	-14.8	24.4	1.7	0	0	0	111.3
1322	V	29.7	Very low	30.3	Very low	117 Å²	117	122.8 Å²	122.8	71%	0.709	72%	0.716	S	S	*	*			trans	99.8	107.9	152.7	172.1	0	0	0	0	118.4
1323	H	27.6	Very low	30.2	Very low	154 Å²	154	123.2 Å²	123.2	71%	0.713	72%	0.718	S	S	*	*			trans	70.6	126.3	146.5	-82.4	-105.7	0	0	0	120
1324	T	25.5	Very low	30.1	Very low	103 Å²	103	122.5 Å²	122.5	63%	0.632	72%	0.718	S	S	*	*				56.7	134.8	86.7	79.6	0	0	0	0	114.1
1325	T	27.5	Very low	29.9	Very low	116 Å²	116	125.4 Å²	125.4	71%	0.712	72%	0.721	S	S	*	*			cis	-165.5	177.8	5.2	7.5	0	0	0	0	110
1326	T	26.5	Very low	29.7	Very low	99 Å²	99	123.3 Å²	123.3	61%	0.607	72%	0.718	S	S	*	*			trans	13.7	134.2	150.1	59.5	0	0	0	0	120.7
1327	I	33.6	Very low	29.8	Very low	162 Å²	162	125.4 Å²	125.4	83%	0.831	72%	0.716	S	S	*	*				-171.2	112.7	121.8	-94.8	151.1	0	0	0	104.1
1328	H	25.3	Very low	30.1	Very low	157 Å²	157	126.9 Å²	126.9	73%	0.727	72%	0.715	S	S	*	*				57	164.2	51.6	-88.3	-72.9	0	0	0	113.8
1329	P	41.5	Very low	30.5	Very low	101 Å²	101	124.8 Å²	124.8	66%	0.656	71%	0.709	S	S	*	*			cis	-115.8	-118.4	-33.2	37.5	-24.7	0	0	0	109.2
1330	V	34.6	Very low	30.4	Very low	119 Å²	119	126.5 Å²	126.5	72%	0.721	70%	0.704	S	S	*	*			trans	76.7	110	173	-172.2	0	0	0	0	115.3
1331	D	29.8	Very low	30.2	Very low	115 Å²	115	129.8 Å²	129.8	62%	0.615	71%	0.707	S	S	*	*			cis	-160.1	152.8	-8.7	-116.1	-2.2	0	0	0	110.5
1332	I	33.5	Very low	29.7	Very low	129 Å²	129	129 Å²	129	66%	0.662	70%	0.702	S	S	*	*				51.5	124.5	94.8	-70.1	179.1	0	0	0	112
1333	N	28.7	Very low	29.7	Very low	133 Å²	133	129.2 Å²	129.2	71%	0.711	70%	0.699	S	S	*	*			cis	-143.2	171.2	5.7	-112.5	-0.5	0	0	0	108.6
1334	A	25.6	Very low	29.9	Very low	77 Å²	77	129.4 Å²	129.4	64%	0.636	70%	0.7	S	S	*	*				50.4	151.1	61.9	0	0	0	0	0	112.7
1335	E	25.7	Very low	30.1	Very low	170 Å²	170	130.8 Å²	130.8	79%	0.794	70%	0.704	S	S	*	*			cis	-157.4	160.6	3.4	-161.7	169.5	-128.2	0	0	107.8
1336	S	25.7	Very low	30.3	Very low	102 Å²	102	132.3 Å²	132.3	71%	0.713	71%	0.707	S	S	*	*			trans	63.1	-180	161.1	76.3	0	0	0	0	115.1
1337	I	29.7	Very low	30.5	Very low	131 Å²	131	132.1 Å²	132.1	67%	0.672	71%	0.709	S	S	*	*			cis	-151.9	143.1	2.8	-148.4	150.4	0	0	0	108.6
1338	I	31.8	Very low	30.5	Very low	142 Å²	142	133.5 Å²	133.5	73%	0.728	71%	0.709	S	S	*	*			trans	62.1	142.7	159.7	-65	161	0	0	0	116.4
1339	T	36.4	Very low	30.9	Very low	109 Å²	109	133 Å²	133	67%	0.669	71%	0.711	S	S	*	*			cis	-113.3	140.2	-2.4	17.8	0	0	0	0	108.9
1340	E	26.6	Very low	30.4	Very low	150 Å²	150	136.8 Å²	136.8	70%	0.701	72%	0.717	S	S	*	*				64.1	121.6	78.8	-59.5	-176.3	149.8	0	0	113.3
1341	Y	25.5	Very low	30.3	Very low	222 Å²	222	140.7 Å²	140.7	87%	0.871	72%	0.719	S	S	*	*				60.6	142.8	68.2	-71.5	-70.7	0	0	0	111.8
1342	P	33.8	Very low	30.3	Very low	102 Å²	102	142.8 Å²	142.8	66%	0.662	72%	0.723	S	S	*	*			cis	-126.3	-167.1	23.9	45.1	-28.8	0	0	0	112.6
1343	N	29.1	Very low	30	Very low	120 Å²	120	140.9 Å²	140.9	64%	0.642	72%	0.721	S	S	*	*			cis	-152.2	139.2	23.3	-116	-32.2	0	0	0	113.7
1344	Q	30.7	Very low	30.1	Very low	158 Å²	158	141.8 Å²	141.8	74%	0.738	73%	0.725	S	S	*	*			trans	68.9	136.7	138.6	-72.1	164.8	-10.5	0	0	124.4
1345	D	31.2	Very low	30.1	Very low	132 Å²	132	147.3 Å²	147.3	71%	0.706	74%	0.737	S	S	*	*			trans	81.9	94.2	140.2	-68.4	18.3	0	0	0	124.7
1346	L	31.9	Very low	30.3	Very low	149 Å²	149	148.3 Å²	148.3	78%	0.78	74%	0.742	S	S	*	*				61.4	98.7	113.1	-73.7	161.2	0	0	0	121.2
1347	S	30.7	Very low	30.4	Very low	95 Å²	95	149.1 Å²	149.1	66%	0.664	75%	0.748	S	S	*	*				116	128.2	116.5	82.3	0	0	0	0	120.3
1348	K	33.3	Very low	30.4	Very low	191 Å²	191	146.6 Å²	146.6	83%	0.83	75%	0.754	S	S	*	*			trans	68.7	145.3	160	-58.2	169.4	-176.1	172.1	0	118.8
1349	L	32.8	Very low	30.4	Very low	145 Å²	145	150.9 Å²	150.9	76%	0.759	76%	0.761	S	S	*	*			cis	-171.3	144.4	-38.1	-120	170.4	0	0	0	110.7
1350	K	32.3	Very low	30	Very low	182 Å²	182	152.5 Å²	152.5	79%	0.791	77%	0.766	S	S	*	*			trans	72.3	136.1	170	-58.8	-177	-179.1	179.3	0	116.5
1351	R	31.6	Very low	30.3	Very low	201 Å²	201	151 Å²	151	76%	0.758	77%	0.767	S	S	*	*			cis	89	140.5	32.9	-70.5	175.3	170.7	-159.5	-0.1	113.4
1352	F	29.2	Very low	30.4	Very low	158 Å²	158	145.4 Å²	145.4	69%	0.693	76%	0.76	S	S	*	*			cis	-155.9	135.8	6.4	-108.3	-39.2	0	0	0	113.7
1353	S	27.7	Very low	30.2	Very low	90 Å²	90	150.1 Å²	150.1	63%	0.629	77%	0.773	S	S	*	*				38.1	132.7	121.8	-64.5	0	0	0	0	126.9
1354	I	30.2	Very low	30.1	Very low	152 Å²	152	151.2 Å²	151.2	78%	0.779	78%	0.778	S	S	*	*				84	124.4	127.9	-66.7	167.2	0	0	0	120.9	E1356	I1354-E1356 HydrophobicContact CG2-CB 4.43Å
1355	E	25.4	Very low	30	Very low	192 Å²	192	151.2 Å²	151.2	90%	0.897	78%	0.781	S	S	*	*			trans	-101.8	142.7	140.9	-74.1	-169.8	151.5	0	0	109.1
1356	E	30.5	Very low	29.8	Very low	192 Å²	192	150 Å²	150	90%	0.897	77%	0.774	S	S	*	*			trans	-160	154.5	154.4	-144	174.5	-133.4	0	0	110.9	I1354	I1354-E1356 HydrophobicContact CG2-CB 4.43Å
1357	S	28	Very low	29.6	Very low	119 Å²	119	151.8 Å²	151.8	83%	0.832	77%	0.771	S	S	*	*			trans	-147.7	119.8	170.3	69.2	0	0	0	0	112.2
1358	G	29.1	Very low	29.6	Very low	78 Å²	78	158.2 Å²	158.2	80%	0.804	78%	0.782	S	S	*	*			trans	-117.5	161.9	175.7	0	0	0	0	0	112.3
1359	R	32.3	Very low	29.4	Very low	232 Å²	232	155.7 Å²	155.7	88%	0.875	78%	0.777	S	S	*	*			trans	-106.6	136.6	-177.2	-68.9	178.3	174.6	174.8	-2.7	112.3
1360	N	28.7	Very low	29.7	Very low	143 Å²	143	153.9 Å²	153.9	77%	0.765	77%	0.774	S	S	*	*			trans	59	140.2	140.4	-60.7	11.6	0	0	0	118.9
1361	T	32.1	Very low	29.7	Very low	119 Å²	119	153.8 Å²	153.8	73%	0.73	78%	0.776	S	S	*	*			cis	-158.7	140.7	3.8	1.3	0	0	0	0	111.4
1362	S	28.1	Very low	29.6	Very low	104 Å²	104	149.4 Å²	149.4	73%	0.727	77%	0.772	S	S	*	*			trans	24.8	124.5	149.6	61	0	0	0	0	121.6
1363	H	28.3	Very low	29.8	Very low	201 Å²	201	148.6 Å²	148.6	93%	0.931	78%	0.775	S	S	*	*			trans	-117.8	164.5	135.7	-115.6	-90.7	0	0	0	109.6
1364	N	27.9	Very low	30	Very low	142 Å²	142	150.5 Å²	150.5	76%	0.759	78%	0.778	S	S	*	*			trans	-134.9	169.8	-165.5	-171.4	14.3	0	0	0	111.1
1365	M	27.9	Very low	30.1	Very low	159 Å²	159	151.2 Å²	151.2	78%	0.783	78%	0.778	S	S	*	*			trans	124.3	145.2	164.8	-68.5	-80.7	179.7	0	0	113.7
1366	N	26.8	Very low	30	Very low	107 Å²	107	150 Å²	150	57%	0.572	78%	0.777	S	S	*	*			cis	-173	171	-23.5	-163.2	3.2	0	0	0	110.2
1367	W	27.9	Very low	30.1	Very low	186 Å²	186	146.5 Å²	146.5	71%	0.705	77%	0.769	S	S	*	*			trans	69.7	136.5	172.7	-43.8	91.7	0	0	0	115.2	L1369	W1367-L1369 HydrophobicContact CE3-CD1 4.11Å; W1367-L1369 HydrophobicContact CZ3-CD1 3.98Å
1368	Y	32.4	Very low	29.9	Very low	229 Å²	229	148.1 Å²	148.1	90%	0.898	76%	0.763	S	S	*	*			cis	-127.2	-173.1	36.8	-113.3	-101.4	0	0	0	115.6
1369	L	28.5	Very low	29.8	Very low	138 Å²	138	149.7 Å²	149.7	72%	0.723	76%	0.762	S	S	*	*			trans	-124.4	-178.3	-158.1	-89.3	169.1	0	0	0	113.6	W1367	W1367-L1369 HydrophobicContact CE3-CD1 4.11Å; W1367-L1369 HydrophobicContact CZ3-CD1 3.98Å
1370	P	39.1	Very low	29.7	Very low	107 Å²	107	143.5 Å²	143.5	70%	0.695	75%	0.754	S	S	*	*			trans	-115.6	175.9	-148.9	44.8	-37.7	0	0	0	115.8
1371	E	32.2	Very low	29.8	Very low	181 Å²	181	141.9 Å²	141.9	85%	0.846	75%	0.749	S	S	*	*			trans	-172.6	153.6	158.2	-104.9	158.1	-151.6	0	0	106.7
1372	T	29.9	Very low	29.5	Very low	109 Å²	109	143.5 Å²	143.5	67%	0.669	75%	0.753	S	S	*	*			cis	-159.5	175	-25.2	9.8	0	0	0	0	106.8
1373	D	31.9	Very low	29.4	Very low	140 Å²	140	146.3 Å²	146.3	75%	0.749	76%	0.756	S	S	*	*			trans	68.4	146.3	166	-58.9	-30.8	0	0	0	117.2
1374	N	32.5	Very low	29.2	Very low	130 Å²	130	145 Å²	145	70%	0.695	75%	0.753	S	S	*	*			cis	-148.2	162.9	-6.8	-135.1	-52.2	0	0	0	111.9
1375	Q	32	Very low	29.1	Very low	167 Å²	167	142.4 Å²	142.4	78%	0.78	75%	0.751	S	S	*	*			trans	59	108.9	168.8	-60.3	-173.6	5.1	0	0	118.9
1376	N	24.6	Very low	29	Very low	166 Å²	166	140 Å²	140	89%	0.888	75%	0.749	S	S	*	*			trans	-124.8	94.4	149	-148.1	-12.2	0	0	0	107.7
1377	V	32.3	Very low	28.9	Very low	119 Å²	119	140.5 Å²	140.5	72%	0.721	76%	0.761	S	S	*	*			trans	-142	117.3	-178.5	-177.3	0	0	0	0	106.2
1378	H	23.5	Very low	29.5	Very low	153 Å²	153	137 Å²	137	71%	0.708	76%	0.763	S	S	*	*			cis	90.9	66.4	20.3	-146.2	-65	0	0	0	116.7
1379	S	27.7	Very low	29.2	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	76%	0.756	S	S	*	*			trans	-157.2	129.7	148.6	-74.3	0	0	0	0	107
1380	S	30.4	Very low	29.3	Very low	102 Å²	102	130 Å²	130	71%	0.713	76%	0.759	S	S	*	*	S	Bend	cis	-167	155	2.9	-107.7	0	0	0	0	109.5
1381	V	29.8	Very low	28.8	Very low	110 Å²	110	134.8 Å²	134.8	67%	0.667	76%	0.764	S	S	*	*			cis	-158.8	154.3	-1.6	90.7	0	0	0	0	112
1382	L	26.6	Very low	28.4	Very low	153 Å²	153	132.8 Å²	132.8	80%	0.801	76%	0.76	S	S	*	*			trans	61.4	145.9	165.2	-96	73.2	0	0	0	123.4
1383	M	24.3	Very low	28.4	Very low	162 Å²	162	133.1 Å²	133.1	80%	0.798	76%	0.762	S	S	*	*			trans	-105.4	170.5	152.6	-63.1	-171.7	177.2	0	0	110.8
1384	M	24.9	Very low	28.1	Very low	174 Å²	174	136.5 Å²	136.5	86%	0.857	76%	0.764	S	S	*	*			trans	75.2	154.7	155.8	-61.8	-167.2	-175.8	0	0	120.3
1385	A	26	Very low	27.8	Very low	87 Å²	87	135.8 Å²	135.8	72%	0.719	76%	0.76	S	S	*	*			trans	77.7	100.2	153.6	0	0	0	0	0	120.8
1386	S	26.4	Very low	27.6	Very low	108 Å²	108	133.3 Å²	133.3	76%	0.755	75%	0.752	S	S	*	*				66.4	101	118.3	-53	0	0	0	0	121.7
1387	S	24.8	Very low	27.7	Very low	118 Å²	118	135.7 Å²	135.7	83%	0.825	75%	0.75	S	S	*	*				66.7	172	129.6	-71	0	0	0	0	119.8
1388	P	40	Very low	27.6	Very low	114 Å²	114	139.2 Å²	139.2	74%	0.74	76%	0.756	S	S	*	*			cis	-131.4	166.5	-36.5	34.5	-19.2	0	0	0	114
1389	A	25.5	Very low	28.2	Very low	92 Å²	92	137 Å²	137	76%	0.76	76%	0.755	S	S	*	*			trans	61.1	142	150.3	0	0	0	0	0	120.7
1390	V	30.5	Very low	28.2	Very low	128 Å²	128	136 Å²	136	78%	0.776	75%	0.749	S	S	*	*				177	119.1	117	146.8	0	0	0	0	110.4
1391	Y	28.5	Very low	28.2	Very low	206 Å²	206	140.5 Å²	140.5	81%	0.808	76%	0.755	S	S	*	*			trans	61.3	105.1	156.1	-79.5	-112.1	0	0	0	121.9
1392	N	24.1	Very low	28	Very low	140 Å²	140	143.6 Å²	143.6	75%	0.749	76%	0.76	S	S	*	*				-1.5	138.5	118.8	-61.2	-40.4	0	0	0	115.8
1393	T	29.2	Very low	28	Very low	115 Å²	115	140.6 Å²	140.6	71%	0.706	75%	0.751	S	S	*	*				-175.8	144.7	76	26.4	0	0	0	0	114.2
1394	R	26.6	Very low	28.1	Very low	212 Å²	212	140 Å²	140	80%	0.8	75%	0.746	S	S	*	*			trans	65.3	118.6	132.3	-70.6	-169	159	152.1	-4.8	123.4
1395	N	26	Very low	28.2	Very low	114 Å²	114	139.4 Å²	139.4	61%	0.61	74%	0.741	S	S	*	*				104.5	127.9	106.9	-81.1	36.8	0	0	0	123.8
1396	D	27.3	Very low	28.2	Very low	115 Å²	115	140 Å²	140	62%	0.615	74%	0.74	S	S	*	*				96	108	124.3	-63.4	-8.8	0	0	0	124.1
1397	Y	27.8	Very low	28.4	Very low	217 Å²	217	142.6 Å²	142.6	85%	0.851	74%	0.743	S	S	*	*				61.2	117.8	129.6	-74.1	-87.5	0	0	0	123.5
1398	F	29.2	Very low	28.5	Very low	192 Å²	192	147.6 Å²	147.6	84%	0.842	75%	0.746	S	S	*	*			trans	-57.4	167.3	146.3	-83.2	-98.7	0	0	0	112.3
1399	P	37.2	Very low	28.4	Very low	106 Å²	106	146.9 Å²	146.9	69%	0.688	74%	0.741	S	S	*	*			cis	-148.5	164.1	28	43.5	-23.6	0	0	0	120.5
1400	S	27	Very low	28.4	Very low	92 Å²	92	149.7 Å²	149.7	64%	0.643	74%	0.743	S	S	*	*			trans	52.2	135	137.9	68.9	0	0	0	0	123.7
1401	F	29.5	Very low	28.1	Very low	195 Å²	195	153.9 Å²	153.9	86%	0.855	75%	0.747	S	S	*	*				-154.4	147.6	120.4	-109.6	-75.6	0	0	0	113
1402	K	26.9	Very low	28.1	Very low	176 Å²	176	153.8 Å²	153.8	77%	0.765	75%	0.751	S	S	*	*			trans	-19.7	154	169.3	-68.3	-171.7	175.7	-171.1	0	119.4
1403	C	26	Very low	28.1	Very low	90 Å²	90	150.7 Å²	150.7	61%	0.608	74%	0.74	S	S	*	*			cis	-163.3	-159.2	3.5	-116.1	0	0	0	0	110
1404	E	26.4	Very low	27.9	Very low	149 Å²	149	155 Å²	155	70%	0.696	75%	0.749	S	S	*	*			cis	-145.8	-116.8	12.2	-157.1	63	-91.9	0	0	113.5
1405	H	26.7	Very low	28.1	Very low	161 Å²	161	149 Å²	149	75%	0.745	75%	0.746	S	S	*	*			trans	-132.2	128.9	-155.3	-100.1	-105.8	0	0	0	119.1
1406	S	27.5	Very low	28	Very low	99 Å²	99	153.8 Å²	153.8	69%	0.692	76%	0.755	S	S	*	*				96.4	144.8	123.6	77.9	0	0	0	0	124.9
1407	I	29.6	Very low	27.9	Very low	163 Å²	163	153.2 Å²	153.2	84%	0.836	75%	0.752	S	S	*	*			trans	85.1	132	160.7	-44.8	-170.9	0	0	0	119.2
1408	Y	27.8	Very low	27.9	Very low	224 Å²	224	150.8 Å²	150.8	88%	0.878	75%	0.75	S	S	*	*			trans	-103.3	-177	-179.7	-98.5	-92.4	0	0	0	110.8
1409	P	38.1	Very low	27.8	Very low	98 Å²	98	148.3 Å²	148.3	64%	0.636	75%	0.745	S	S	*	*			cis	-129.6	176	-15	39.4	-24.9	0	0	0	113.9
1410	N	24.9	Very low	27.3	Very low	152 Å²	152	150.6 Å²	150.6	81%	0.813	75%	0.746	S	S	*	*				-168.5	169.1	120.6	-112.3	-37.6	0	0	0	114.8
1411	Y	24.9	Very low	27.5	Very low	215 Å²	215	150.9 Å²	150.9	84%	0.843	74%	0.744	S	S	*	*			trans	-65.9	138.3	179.1	-77.2	-115.7	0	0	0	113.4
1412	F	28.3	Very low	27.5	Very low	204 Å²	204	149.4 Å²	149.4	90%	0.895	74%	0.739	S	S	*	*				-156.5	-177.5	120.4	-126.3	-91.6	0	0	0	110.6
1413	S	23.3	Very low	27.6	Very low	76 Å²	76	147.4 Å²	147.4	53%	0.531	74%	0.737	S	S	.	*			trans	-113.1	167.6	-162.1	55.3	0	0	0	0	114.7
1414	F	25.9	Very low	27.8	Very low	204 Å²	204	149 Å²	149	90%	0.895	74%	0.744	S	S	*	*			trans	65	158.9	178.9	-69.1	-93.2	0	0	0	114.7
1415	A	29.7	Very low	28.1	Very low	87 Å²	87	148 Å²	148	72%	0.719	74%	0.744	S	S	*	*			cis	-134.5	159.7	-1.1	0	0	0	0	0	113.3
1416	R	24.6	Very low	28.4	Very low	215 Å²	215	148.3 Å²	148.3	81%	0.811	75%	0.746	S	S	*	*			trans	-19.8	154.5	145.4	-99.1	-178.6	174.8	156.8	-2	118.4
1417	N	24.8	Very low	28.6	Very low	102 Å²	102	150.2 Å²	150.2	55%	0.545	75%	0.748	S	S	.	*				88.4	155.9	129.4	-80.1	12.5	0	0	0	122.7
1418	M	28.3	Very low	28.6	Very low	166 Å²	166	149.1 Å²	149.1	82%	0.818	74%	0.744	S	S	*	*			trans	38.5	110.6	137.2	-60.9	156	170.9	0	0	118.2
1419	I	25.9	Very low	28.8	Very low	141 Å²	141	144.8 Å²	144.8	72%	0.723	74%	0.736	S	S	*	*			trans	-158.4	142.5	158.9	21.6	173.1	0	0	0	106.6
1420	H	27.7	Very low	28.3	Very low	154 Å²	154	146.2 Å²	146.2	71%	0.713	74%	0.738	S	S	*	*			cis	-138.8	170.6	7.4	-79.7	-77.5	0	0	0	107.6
1421	T	30	Very low	28.3	Very low	98 Å²	98	144.9 Å²	144.9	60%	0.601	73%	0.731	S	S	*	*			cis	-161.2	-174.6	-7.7	22	0	0	0	0	106.9
1422	E	31	Very low	28.4	Very low	163 Å²	163	140.8 Å²	140.8	76%	0.762	72%	0.724	S	S	*	*			cis	-149.3	166.5	12.9	-136.6	132.3	-95.1	0	0	111.5
1423	D	27.5	Very low	28.3	Very low	134 Å²	134	137.9 Å²	137.9	72%	0.717	72%	0.717	S	S	*	*			trans	-72.4	153.2	-172.5	-50.3	-92.4	0	0	0	114.6
1424	T	31.9	Very low	28.7	Very low	123 Å²	123	141.9 Å²	141.9	76%	0.755	73%	0.732	S	S	*	*				172.7	147.9	105.4	34.1	0	0	0	0	115
1425	N	30.8	Very low	28.8	Very low	130 Å²	130	137 Å²	137	70%	0.695	72%	0.718	S	S	*	*			trans	70	123.8	146.6	-66	-23.3	0	0	0	122.6
1426	Q	33.5	Very low	28.9	Very low	167 Å²	167	139.9 Å²	139.9	78%	0.78	72%	0.721	S	S	*	*			trans	71.6	145.7	146.3	-62.2	176.6	7.7	0	0	117.6
1427	N	32.8	Very low	28.8	Very low	138 Å²	138	133.5 Å²	133.5	74%	0.738	71%	0.709	S	S	*	*			cis	-152.6	165.2	-8.3	-114	-7.8	0	0	0	110.3
1428	D	29.6	Very low	28.9	Very low	141 Å²	141	139.3 Å²	139.3	75%	0.754	72%	0.724	S	S	*	*			trans	-80.3	174.5	-173.3	-59.1	-70.7	0	0	0	116.3
1429	N	31	Very low	29	Very low	132 Å²	132	137 Å²	137	71%	0.706	72%	0.719	S	S	*	*			trans	89.9	102.3	148.9	-69.8	-56	0	0	0	121.5
1430	N	27.3	Very low	29.1	Very low	129 Å²	129	135 Å²	135	69%	0.69	72%	0.718	S	S	*	*				66.2	137.3	110.6	-73.1	-25.8	0	0	0	123.6
1431	N	26.1	Very low	29.4	Very low	124 Å²	124	133.2 Å²	133.2	66%	0.663	72%	0.72	S	S	*	*			trans	84	110.5	139.9	-69.3	-6.6	0	0	0	122.5
1432	N	25.8	Very low	29.4	Very low	129 Å²	129	134.7 Å²	134.7	69%	0.69	73%	0.729	S	S	*	*				80.8	154.1	126.8	-60.1	-14	0	0	0	121
1433	N	25.9	Very low	29.3	Very low	142 Å²	142	133 Å²	133	76%	0.759	73%	0.73	S	S	*	*			trans	68.4	126.3	179.4	-47.8	-35.9	0	0	0	112.8
1434	L	31.8	Very low	29.5	Very low	161 Å²	161	131.9 Å²	131.9	84%	0.843	73%	0.73	S	S	*	*				-146.4	156.3	56.1	-72.4	149.9	0	0	0	110.1
1435	V	29.5	Very low	29.8	Very low	100 Å²	100	131 Å²	131	61%	0.606	73%	0.729	S	S	*	*			cis	81.7	113.2	28.9	179.5	0	0	0	0	113.8
1436	L	30.1	Very low	30	Very low	148 Å²	148	130.1 Å²	130.1	78%	0.775	73%	0.73	S	S	*	*			trans	66.8	121.1	170.2	-58.1	166.9	0	0	0	114.9
1437	S	23.3	Very low	29.6	Very low	81 Å²	81	127.2 Å²	127.2	57%	0.566	73%	0.727	S	S	*	*				64.4	143.7	64.2	83.2	0	0	0	0	112.9
1438	W	28.2	Very low	29.4	Very low	224 Å²	224	127.3 Å²	127.3	85%	0.848	73%	0.728	S	S	*	*			cis	-135.8	168.9	18.5	-55.5	53.4	0	0	0	109.1
1439	T	29.5	Very low	29.2	Very low	117 Å²	117	126 Å²	126	72%	0.718	72%	0.721	S	S	*	*			cis	-128.4	149.5	2.8	56.9	0	0	0	0	108
1440	S	27.4	Very low	28.9	Very low	99 Å²	99	126.3 Å²	126.3	69%	0.692	72%	0.722	S	S	*	*			cis	62.9	148	47.7	-49	0	0	0	0	113.5
1441	P	34.6	Very low	29	Very low	117 Å²	117	130 Å²	130	76%	0.76	73%	0.727	S	S	*	*			cis	-112.8	179.9	-4.3	42.3	-30.1	0	0	0	112.4
1442	T	30.8	Very low	29.3	Very low	130 Å²	130	130.7 Å²	130.7	80%	0.798	73%	0.731	S	S	*	*			cis	-145.7	130.3	6.7	-14.5	0	0	0	0	110.1
1443	T	28.9	Very low	29.6	Very low	128 Å²	128	129.9 Å²	129.9	79%	0.785	73%	0.726	S	S	*	*			trans	-78.5	-174.6	151.1	42.8	0	0	0	0	108.6
1444	P	30.8	Very low	29.8	Very low	110 Å²	110	130 Å²	130	71%	0.714	72%	0.722	S	S	*	*			cis	-144.4	174.7	15	44.3	-24.9	0	0	0	118.5
1445	S	38.7	Very low	29.8	Very low	104 Å²	104	130.8 Å²	130.8	73%	0.727	72%	0.719	S	S	*	*			trans	-99.4	145.5	149	54.6	0	0	0	0	110.5
1446	P	35.4	Very low	29.8	Very low	111 Å²	111	132.9 Å²	132.9	72%	0.721	73%	0.725	S	S	*	*			trans	-122.8	136.9	136.5	2.3	19.6	0	0	0	109.6
1447	C	23.6	Very low	29.7	Very low	107 Å²	107	132.9 Å²	132.9	72%	0.723	73%	0.726	S	S	*	*				87.8	157.1	57.3	-69.5	0	0	0	0	113.3
1448	D	28.8	Very low	30.4	Very low	139 Å²	139	133.7 Å²	133.7	74%	0.743	73%	0.729	S	S	*	*			trans	76.2	143.6	167.4	-62.7	5.4	0	0	0	118.3
1449	N	26.3	Very low	30.4	Very low	114 Å²	114	127.6 Å²	127.6	61%	0.61	72%	0.721	S	S	*	*			cis	-167.7	150.5	-22.3	-111.7	-32.6	0	0	0	112
1450	L	24.2	Very low	30.5	Very low	138 Å²	138	128.8 Å²	128.8	72%	0.723	72%	0.721	S	S	*	*			trans	44.3	179.4	138.2	-62.5	166.5	0	0	0	121.9
1451	Y	30.1	Very low	30.5	Very low	206 Å²	206	129 Å²	129	81%	0.808	72%	0.718	S	S	*	*			trans	70.7	132.6	177.4	-65.1	-88.1	0	0	0	113.9
1452	L	32.6	Very low	30	Very low	140 Å²	140	130.1 Å²	130.1	73%	0.733	72%	0.718	S	S	*	*			cis	-152.6	156.7	7.5	-92.6	150.2	0	0	0	108
1453	D	30.8	Very low	29.8	Very low	112 Å²	112	131.5 Å²	131.5	60%	0.599	72%	0.715	S	S	*	*			cis	-157.9	-175.8	-10.6	-160.2	21.1	0	0	0	112.3
1454	Q	31.5	Very low	29.9	Very low	144 Å²	144	131.6 Å²	131.6	67%	0.673	72%	0.717	S	S	*	*			trans	-46.3	160.4	159.8	-53.2	148.1	61.8	0	0	113.9
1455	K	29.8	Very low	29.6	Very low	177 Å²	177	133.9 Å²	133.9	77%	0.77	72%	0.723	S	S	*	*			cis	-150	154	30.9	-75.5	179.3	177.7	175.6	0	110.3
1456	I	31	Very low	29	Very low	144 Å²	144	134.3 Å²	134.3	74%	0.738	73%	0.726	S	S	*	*			cis	-148	116.8	-8.1	-100	154.3	0	0	0	107.5
1457	N	28	Very low	28.7	Very low	148 Å²	148	135.3 Å²	135.3	79%	0.791	73%	0.73	S	S	*	*				15.7	165.2	121.8	-110.6	-1.9	0	0	0	121
1458	P	37.7	Very low	28.9	Very low	99 Å²	99	136.6 Å²	136.6	64%	0.643	74%	0.735	S	S	*	*			cis	-143.8	-176.5	3.6	42.6	-23.3	0	0	0	117.8
1459	S	28.7	Very low	29	Very low	96 Å²	96	135.3 Å²	135.3	67%	0.671	74%	0.737	S	S	*	*			trans	91.6	142	136.9	-72.2	0	0	0	0	123
1460	I	30.1	Very low	29.1	Very low	141 Å²	141	137.3 Å²	137.3	72%	0.723	75%	0.747	S	S	*	*			cis	-166.4	144.5	-32.9	-122.1	169	0	0	0	112.4
1461	T	27.2	Very low	30.1	Very low	103 Å²	103	136.3 Å²	136.3	63%	0.632	75%	0.749	S	S	*	*			trans	44.6	129.6	155.5	64.6	0	0	0	0	126
1462	L	25.3	Very low	30.2	Very low	142 Å²	142	132.1 Å²	132.1	74%	0.743	75%	0.745	S	S	*	*				58.5	132.8	117.9	-55.7	169.1	0	0	0	123.8
1463	Q	25.9	Very low	30	Very low	159 Å²	159	134.2 Å²	134.2	74%	0.743	75%	0.751	S	S	*	*			trans	60	129.5	137.2	-68.9	-178.9	2.8	0	0	121.5
1464	P	32	Very low	29.9	Very low	129 Å²	129	133.9 Å²	133.9	84%	0.838	76%	0.757	S	S	*	*			trans	-97.4	132.3	152.2	34.8	-26.9	0	0	0	111.9
1465	L	25	Very low	29.8	Very low	158 Å²	158	135 Å²	135	83%	0.827	77%	0.767	S	S	*	*			trans	-124.1	170.1	159.3	-105.5	169.2	0	0	0	109.7
1466	S	26.1	Very low	29.8	Very low	114 Å²	114	131.8 Å²	131.8	80%	0.797	77%	0.767	S	S	*	*			trans	-80.3	163.4	-154.2	44.4	0	0	0	0	117.3
1467	T	27.7	Very low	29.8	Very low	131 Å²	131	130.3 Å²	130.3	80%	0.804	77%	0.766	S	S	*	*			trans	-80.8	151.1	-172	52.8	0	0	0	0	116.1
1468	T	28.5	Very low	29.7	Very low	135 Å²	135	127.3 Å²	127.3	83%	0.828	76%	0.757	S	S	*	*			trans	-156.1	130.1	148.3	8.5	0	0	0	0	115
1469	S	31	Very low	29.1	Very low	111 Å²	111	128.5 Å²	128.5	78%	0.776	76%	0.757	S	S	*	*			trans	52.1	122.9	149.3	53.8	0	0	0	0	124.3
1470	N	27.5	Very low	29.1	Very low	156 Å²	156	130 Å²	130	83%	0.834	76%	0.757	S	S	*	*			trans	-60.6	178.8	156.2	-74	-29.5	0	0	0	113.4
1471	P	46.3	Very low	29	Very low	117 Å²	117	130.3 Å²	130.3	76%	0.76	76%	0.761	S	S	*	*			cis	-151.8	-170.4	27.9	35.8	-9.1	0	0	0	120.2
1472	V	30.6	Very low	29.3	Very low	118 Å²	118	130.1 Å²	130.1	72%	0.715	76%	0.761	S	S	*	*			trans	99.6	106.2	157.7	-172	0	0	0	0	118.6
1473	Q	28.4	Very low	29.4	Very low	185 Å²	185	130.1 Å²	130.1	86%	0.864	76%	0.76	S	S	*	*			trans	40.1	139.5	137.7	-55.1	175.1	-1.2	0	0	120
1474	S	30.3	Very low	29.6	Very low	105 Å²	105	128.3 Å²	128.3	73%	0.734	76%	0.756	S	S	*	*			cis	-157.3	178.8	26.6	58.4	0	0	0	0	113
1475	L	29.4	Very low	29.3	Very low	167 Å²	167	124.5 Å²	124.5	87%	0.874	73%	0.732	S	S	*	*			trans	82.2	84.3	174	-57.7	173.5	0	0	0	118.4
1476	S	30.1	Very low	29.7	Very low	109 Å²	109	122.6 Å²	122.6	76%	0.762	73%	0.727	S	S	*	*			trans	-72.5	165.2	135	-32.2	0	0	0	0	109
1477	P	29.8	Very low	30.1	Very low	113 Å²	113	120.3 Å²	120.3	73%	0.734	72%	0.721	S	S	*	*				-158.2	-178.7	68.3	44.4	-24.2	0	0	0	117.8
1478	S	26.8	Very low	30.3	Very low	85 Å²	85	118.9 Å²	118.9	59%	0.594	71%	0.713	S	S	*	*			trans	64.7	127.4	151.4	-61.2	0	0	0	0	120.6
1479	I	25	Very low	30.4	Very low	124 Å²	124	121.6 Å²	121.6	64%	0.636	71%	0.713	S	S	*	*			cis	97.2	140.3	40.3	-70.3	162.7	0	0	0	113.4
1480	D	27.1	Very low	30.3	Very low	128 Å²	128	123.7 Å²	123.7	68%	0.684	71%	0.711	S	S	*	*			trans	85.3	109.4	168.5	-71.1	-33.8	0	0	0	121
1481	N	28	Very low	30.5	Very low	148 Å²	148	124.4 Å²	124.4	79%	0.791	71%	0.706	S	S	*	*				7.2	157.6	112.5	-81.5	-51.3	0	0	0	118.7
1482	P	34.3	Very low	29.6	Very low	99 Å²	99	125.9 Å²	125.9	64%	0.643	71%	0.708	S	S	*	*			cis	-145.4	-174.6	12.5	38.2	-15.7	0	0	0	117.4
1483	I	27.2	Very low	29.4	Very low	142 Å²	142	127 Å²	127	73%	0.728	71%	0.709	S	S	*	*			trans	74.9	131.3	137	-84.8	162.7	0	0	0	122.7
1484	N	29.8	Very low	29.2	Very low	120 Å²	120	124.9 Å²	124.9	64%	0.642	70%	0.697	S	S	*	*			trans	68.8	132.8	153.3	-71.1	-3.9	0	0	0	124	L663	L663-N1484 HydrophobicContact CD1-CB 3.97Å; L663-N1484 VanDerWaalsContact CD1-CG 3.49Å; L663-N1484 WeakPolarHBondContact CD1-OD1 3.14Å
1485	S	26.6	Very low	29.4	Very low	50 Å²	50	124.8 Å²	124.8	35%	0.35	70%	0.697	S	S	.	*			trans	-87	163.6	172.4	64.3	0	0	0	0	115.6	L663	L663-S1485 WeakPolarHBondContact CD1-OG 3.35Å; L663-S1485 WeakPolarHBondContact CD2-OG 3.39Å
1486	T	33.5	Very low	30.3	Very low	118 Å²	118	122.5 Å²	122.5	72%	0.724	69%	0.692	S	S	*	*			trans	-159.5	134.7	132.4	34.4	0	0	0	0	114.2
1487	G	34.2	Very low	30	Very low	65 Å²	65	123.1 Å²	123.1	67%	0.67	69%	0.691	S	S	*	*				73	78.1	123.9	0	0	0	0	0	121.8
1488	T	31.8	Very low	29.7	Very low	102 Å²	102	123.1 Å²	123.1	63%	0.626	69%	0.685	S	S	*	*			trans	34	125	131.9	62.8	0	0	0	0	121.5
1489	K	30.8	Very low	29.6	Very low	192 Å²	192	126.4 Å²	126.4	84%	0.835	69%	0.69	S	S	*	*				174.7	142.3	103.4	-96.9	175.2	-177.4	177	0	115.5
1490	Q	28.1	Very low	29.5	Very low	155 Å²	155	124.6 Å²	124.6	72%	0.724	69%	0.689	S	S	*	*			trans	76.2	140.7	146.8	-81.4	-166.9	5	0	0	123.9
1491	K	32	Very low	29.7	Very low	171 Å²	171	124.8 Å²	124.8	74%	0.743	70%	0.695	S	S	*	*			trans	87.4	114.1	144.1	-78.5	168.8	-179.2	177.8	0	122.4
1492	N	27.5	Very low	29.5	Very low	147 Å²	147	123.3 Å²	123.3	79%	0.786	69%	0.691	S	S	*	*				10.6	136.6	125.3	-42.7	12.9	0	0	0	119.6
1493	L	26.7	Very low	29.3	Very low	141 Å²	141	126.5 Å²	126.5	74%	0.738	70%	0.699	S	S	*	*				146.9	143.3	118.7	-85.3	174.2	0	0	0	113.9
1494	F	24.5	Very low	29.5	Very low	141 Å²	141	126.8 Å²	126.8	62%	0.618	70%	0.701	S	S	*	*			trans	63.6	162.8	157.7	-67.2	-57.2	0	0	0	121.6	L2354	F1494-L2354 HydrophobicContact CE1-CD1 3.8Å; F1494-L2354 HydrophobicContact CE1-CD2 3.68Å; F1494-L2354 HydrophobicContact CE1-CG 4.23Å; F1494-L2354 HydrophobicContact CZ-CD2 3.97Å
1495	S	34.2	Very low	29.6	Very low	104 Å²	104	131.3 Å²	131.3	73%	0.727	71%	0.709	S	S	*	*			trans	-143.7	162.5	164.5	66.8	0	0	0	0	109
1496	P	47.5	Very low	29.8	Very low	118 Å²	118	132.6 Å²	132.6	77%	0.766	71%	0.712	S	S	*	*	S	Bend	cis	-100.3	-139.7	-25.8	38.7	-26.3	0	0	0	108.7
1497	V	24.7	Very low	29.7	Very low	123 Å²	123	132.5 Å²	132.5	75%	0.745	70%	0.703	S	S	*	*			trans	78.1	135.9	176.9	-173.3	0	0	0	0	114.8
1498	N	23	Very low	29.3	Very low	113 Å²	113	136.4 Å²	136.4	60%	0.604	71%	0.708	S	S	*	*			trans	61	128.4	164.1	-80.1	26.5	0	0	0	122.2
1499	E	25.8	Very low	29.1	Very low	153 Å²	153	137.1 Å²	137.1	72%	0.715	72%	0.717	S	S	*	*			trans	67.8	116.3	132.7	-64.1	155.6	170.9	0	0	117.8
1500	S	22.2	Very low	28.9	Very low	87 Å²	87	134.8 Å²	134.8	61%	0.608	71%	0.713	S	S	*	*			cis	68.8	64.3	42.2	94.5	0	0	0	0	115.4	T1502	S1500-T1502 VanDerWaalsContact CA-OG1 3.24Å; S1500-T1502 WeakPolarHBondContact CA-OG1 3.26Å; S1500-T1502 WeakPolarHBondContact CB-OG1 3.23Å
1501	V	32	Very low	28.8	Very low	132 Å²	132	134.5 Å²	134.5	80%	0.8	71%	0.712	S	S	*	*			trans	-137	108.6	133.8	-174.3	0	0	0	0	106.6	M1503	V1501-M1503 HydrophobicContact CG1-CB 4.47Å; V1501-M1503 VanDerWaalsContact CG1-N 3.34Å
1502	T	24.2	Very low	28.5	Very low	116 Å²	116	131.2 Å²	131.2	71%	0.712	71%	0.71	S	S	*	*			cis	59.7	38.7	2	68.7	0	0	0	0	117.6	S1500	S1500-T1502 VanDerWaalsContact CA-OG1 3.24Å; S1500-T1502 WeakPolarHBondContact CA-OG1 3.26Å; S1500-T1502 WeakPolarHBondContact CB-OG1 3.23Å
1503	M	29.7	Very low	28.6	Very low	166 Å²	166	133.4 Å²	133.4	82%	0.818	71%	0.713	S	S	*	*				-142.2	139.5	128.4	-66.5	-157.5	-177.4	0	0	105.8	V1501	V1501-M1503 HydrophobicContact CG1-CB 4.47Å; V1501-M1503 VanDerWaalsContact CG1-N 3.34Å
1504	I	31.8	Very low	29	Very low	148 Å²	148	132.1 Å²	132.1	76%	0.759	71%	0.713	S	S	*	*	S	Bend	cis	-137.9	124.7	24.6	-69.3	172.9	0	0	0	110.1
1505	R	31	Very low	28.9	Very low	215 Å²	215	131.3 Å²	131.3	81%	0.811	72%	0.719	S	S	*	*			trans	52.3	157.5	147.4	-62.4	-165.4	154.5	132	-4.6	121.4
1506	N	31.4	Very low	28.4	Very low	78 Å²	78	131.7 Å²	131.7	42%	0.417	72%	0.721	S	S	.	*			cis	-153	144.7	-16.3	-112.9	11.2	0	0	0	113
1507	E	30.1	Very low	27.3	Very low	115 Å²	115	130.9 Å²	130.9	54%	0.537	71%	0.713	S	S	.	*				58.7	107.1	129.6	-65.3	161.3	-161.2	0	0	123.7
1508	N	26.4	Very low	27.3	Very low	147 Å²	147	136 Å²	136	79%	0.786	72%	0.721	S	S	*	*				35.2	124.5	113.6	-67.2	-20.4	0	0	0	122.7
1509	C	28.4	Very low	27.5	Very low	118 Å²	118	133.3 Å²	133.3	80%	0.797	72%	0.72	S	S	*	*				41.3	120.2	127.1	-58.6	0	0	0	0	122.1
1510	D	26.6	Very low	27.5	Very low	142 Å²	142	132.5 Å²	132.5	76%	0.759	73%	0.725	S	S	*	*			trans	-164.1	156.6	146	-108.8	-1.8	0	0	0	109.1
1511	Q	25.8	Very low	27.6	Very low	150 Å²	150	132.7 Å²	132.7	70%	0.701	73%	0.727	S	S	*	*			cis	-158.5	164.9	-27.9	-140.5	-177.4	90.4	0	0	109.9
1512	S	24.5	Very low	27.3	Very low	101 Å²	101	133.2 Å²	133.2	71%	0.706	73%	0.725	S	S	*	*			trans	48.7	123.7	149.5	67.6	0	0	0	0	123.4
1513	K	31.2	Very low	27.4	Very low	194 Å²	194	134.9 Å²	134.9	84%	0.843	73%	0.73	S	S	*	*			trans	-49.4	164.8	141.8	-64.6	176.2	-179.1	174.9	0	110.8
1514	P	34.8	Very low	27.2	Very low	113 Å²	113	135.3 Å²	135.3	73%	0.734	74%	0.735	S	S	*	*			cis	-162	173.5	42.3	47.3	-25.5	0	0	0	121.1
1515	V	22.7	Very low	27	Very low	125 Å²	125	132.3 Å²	132.3	76%	0.758	73%	0.732	S	S	*	*			trans	61.4	149.6	134	163.6	0	0	0	0	122.2
1516	C	22.9	Very low	26.9	Very low	112 Å²	112	130.8 Å²	130.8	76%	0.757	73%	0.731	S	S	*	*			trans	73.6	159	163.5	-83.1	0	0	0	0	118.7
1517	V	24	Very low	26.8	Very low	100 Å²	100	132.9 Å²	132.9	61%	0.606	74%	0.742	S	S	*	*			cis	-174.9	153.1	-40.8	120.3	0	0	0	0	108.6
1518	Y	25.5	Very low	26.7	Very low	231 Å²	231	135.2 Å²	135.2	91%	0.906	75%	0.751	S	S	*	*			trans	61	163.5	-177.4	-58.8	-52.2	0	0	0	114.1
1519	G	27.8	Very low	26.7	Very low	57 Å²	57	136.7 Å²	136.7	59%	0.588	75%	0.75	S	S	*	*			cis	174.2	151.5	-12.2	0	0	0	0	0	112.1
1520	T	25.4	Very low	26.7	Very low	135 Å²	135	139.9 Å²	139.9	83%	0.828	75%	0.751	S	S	*	*			trans	33.8	121.5	151.4	54.6	0	0	0	0	121.1
1521	S	24.1	Very low	26.6	Very low	92 Å²	92	137.8 Å²	137.8	64%	0.643	75%	0.747	S	S	*	*			trans	71.2	115.6	132	63.9	0	0	0	0	121.7
1522	D	25.5	Very low	26.5	Very low	142 Å²	142	137.2 Å²	137.2	76%	0.759	75%	0.748	S	S	*	*				82.2	107.6	123.8	-51.8	-3.3	0	0	0	120.9
1523	D	26.5	Very low	26.6	Very low	151 Å²	151	138.2 Å²	138.2	81%	0.807	74%	0.74	S	S	*	*				48.2	124.6	127.5	-60.5	-5.4	0	0	0	122.1
1524	L	25.1	Very low	26.3	Very low	176 Å²	176	131.7 Å²	131.7	92%	0.921	72%	0.716	S	S	*	*			trans	-168.2	151.3	135.6	-111.2	161.4	0	0	0	115.6
1525	A	27.8	Very low	26	Very low	85 Å²	85	130.2 Å²	130.2	70%	0.702	70%	0.699	S	S	*	*			trans	67.1	129.9	168.4	0	0	0	0	0	116.1
1526	K	29.2	Very low	26.3	Very low	183 Å²	183	128.9 Å²	128.9	80%	0.796	69%	0.685	S	S	*	*			cis	-150.8	163.1	27.6	-76.7	-178	179.1	-179.3	0	110.1
1527	D	29.7	Very low	26.7	Very low	121 Å²	121	128.2 Å²	128.2	65%	0.647	67%	0.674	S	S	*	*			cis	-159.8	158.5	-2.4	-107.3	-24.7	0	0	0	112.1
1528	F	26.5	Very low	26.8	Very low	165 Å²	165	129.8 Å²	129.8	72%	0.724	68%	0.679	S	S	*	*			trans	35.4	120.9	150.4	-77.9	-103.5	0	0	0	125.7
1529	K	27.5	Very low	27	Very low	178 Å²	178	124.8 Å²	124.8	77%	0.774	67%	0.667	S	S	*	*			trans	80.6	124.2	133.1	-80	175.9	-178.6	164.1	0	124.6
1530	K	28.4	Very low	26.9	Very low	185 Å²	185	127.2 Å²	127.2	80%	0.804	67%	0.665	S	S	*	*			trans	80.5	103.7	139	-79.7	-168.6	169.9	-172.2	0	123.4
1531	S	24.1	Very low	26.7	Very low	98 Å²	98	130.9 Å²	130.9	69%	0.685	66%	0.664	S	S	*	*				69.4	119.9	116.3	-56.8	0	0	0	0	124.5
1532	L	23.2	Very low	26.6	Very low	137 Å²	137	132 Å²	132	72%	0.717	66%	0.663	S	S	*	*			trans	67	172.2	150.5	-54.5	169.4	0	0	0	115.7
1533	K	27	Very low	26.4	Very low	123 Å²	123	134.7 Å²	134.7	54%	0.535	66%	0.663	S	S	.	*			cis	-144	-121.9	-18.5	-131.3	-179.2	170	-160.3	0	113.4	H631 R632 E633	H631-K1533 PolarHBondContact CE1-O 3.46Å; H631-K1533 PolarHBondContact NE2-O 3.37Å; R632-K1533 CarbonylContact C-O 2.94Å; R632-K1533 WeakPolarHBondContact CA-O 3.31Å; R632-K1533 WeakPolarHBondContact CB-O 3.5Å; E633-K1533 PolarHBondContact N-O 3.13Å; E633-K1533 WeakPolarHBondContact OE1-CB 3.36Å; E633-K1533 VanDerWaalsContact OE2-CA 3.25Å; E633-K1533 WeakPolarHBondContact OE2-CA 2.86Å; E633-K1533 PolarHBondContact OE2-N 2.91Å
1534	T	25.3	Very low	26.2	Very low	57 Å²	57	135.1 Å²	135.1	35%	0.35	66%	0.657	S	S	.	*			trans	-111.2	115.2	-131.6	71.7	0	0	0	0	121.1	E633	E633-T1534 PolarHBondContact OE1-N 3.03Å
1535	E	27.5	Very low	26.2	Very low	81 Å²	81	137.9 Å²	137.9	38%	0.379	66%	0.657	S	S	.	*			trans	79.6	160.9	143.9	-121.9	130.2	-113	0	0	123.6	R632 E633 C634	R632-E1535 VanDerWaalsContact CB-N 3.31Å; R632-E1535 IonicContact CZ-OE1 3.71Å; R632-E1535 IonicContact NE-OE1 2.69Å; R632-E1535 PolarHBondContact NE-OE1 3.49Å; R632-E1535 IonicContact NH2-OE1 3.14Å; R632-E1535 PolarHBondContact NH2-OE1 2.8Å; R632-E1535 CarbonylContact O-C 3.39Å; R632-E1535 WeakPolarHBondContact O-CA 3.23Å; R632-E1535 PolarHBondContact O-N 2.88Å; E633-E1535 CarbonylContact C-O 3.56Å; C634-E1535 PolarHBondContact N-O 3.4Å
1536	E	29.7	Very low	26	Very low	97 Å²	97	139.6 Å²	139.6	45%	0.453	66%	0.664	S	S	.	*			trans	67.8	164.8	156	-61.2	-167.4	146.9	0	0	120	R635	R635-E1536 IonicContact CZ-OE2 3.67Å; R635-E1536 IonicContact NH1-OE2 3.97Å; R635-E1536 PolarHBondContact NH1-OE2 3.17Å
1537	N	30.5	Very low	25.9	Very low	99 Å²	99	139.6 Å²	139.6	53%	0.529	67%	0.667	S	S	.	*			cis	-157.7	144.5	-37.1	-93.6	-20.9	0	0	0	106.1
1538	N	26.6	Very low	25.9	Very low	133 Å²	133	138.8 Å²	138.8	71%	0.711	67%	0.668	S	S	*	*			cis	63	95.2	5.9	-179.6	87.6	0	0	0	116.8
1539	L	30	Very low	25.7	Very low	126 Å²	126	135.5 Å²	135.5	66%	0.66	67%	0.666	S	S	*	*			trans	-165.1	141.4	147.2	-87.7	136.5	0	0	0	107
1540	I	24.4	Very low	25.5	Very low	107 Å²	107	134.1 Å²	134.1	55%	0.549	67%	0.665	S	S	.	*			cis	82.8	131.3	47	-68.7	175.5	0	0	0	110.7
1541	W	23	Very low	25.4	Very low	213 Å²	213	133.2 Å²	133.2	81%	0.807	67%	0.669	S	S	*	*			cis	-158.6	162.8	3.8	-117.5	10	0	0	0	114.7
1542	N	21.5	Very low	25.5	Very low	114 Å²	114	131.5 Å²	131.5	61%	0.61	67%	0.667	S	S	*	*				7.1	136.9	124.5	-91.6	-27.9	0	0	0	121
1543	W	21.7	Very low	25.6	Very low	199 Å²	199	133.4 Å²	133.4	75%	0.754	67%	0.674	S	S	*	*				115.8	135.7	125.2	-86.1	28	0	0	0	122.3
1544	K	21.4	Very low	25.6	Very low	161 Å²	161	131.5 Å²	131.5	70%	0.7	67%	0.67	S	S	*	*			trans	50.4	119.7	148.1	-68.9	-170.8	177.4	-175.6	0	121.5
1545	Y	25.4	Very low	25.8	Very low	233 Å²	233	134.3 Å²	134.3	91%	0.914	68%	0.677	S	S	*	*			trans	-5.8	119.5	136.6	-88.1	-97.4	0	0	0	117.3
1546	S	24.1	Very low	25.8	Very low	122 Å²	122	133.5 Å²	133.5	85%	0.853	68%	0.676	S	S	*	*			trans	-153.5	144.9	133.1	-76.6	0	0	0	0	109.1
1547	Q	25.6	Very low	25.6	Very low	183 Å²	183	135 Å²	135	86%	0.855	68%	0.682	S	S	*	*			trans	-109.9	165.6	163.6	-82.4	-144.2	-3.4	0	0	107.5
1548	P	30.9	Very low	25.4	Very low	104 Å²	104	133.6 Å²	133.6	68%	0.675	68%	0.68	S	S	*	*			cis	-141.9	-169.9	24.8	43.7	-24.6	0	0	0	116.8
1549	S	22.6	Very low	25.3	Very low	95 Å²	95	131.8 Å²	131.8	66%	0.664	67%	0.67	S	S	*	*			trans	75.9	113.9	150.7	-60.9	0	0	0	0	121.4
1550	I	23.3	Very low	25.3	Very low	149 Å²	149	134 Å²	134	76%	0.764	67%	0.674	S	S	*	*				49.3	102	125.9	-52.2	164.4	0	0	0	117
1551	D	25.6	Very low	25.5	Very low	166 Å²	166	137.1 Å²	137.1	89%	0.888	68%	0.684	S	S	*	*				-162.1	177.7	98.6	-113.5	-35.8	0	0	0	110.4
1552	G	25.5	Very low	26	Very low	62 Å²	62	135.1 Å²	135.1	64%	0.639	68%	0.683	S	S	*	*			trans	-163	179	-177.7	0	0	0	0	0	117.5
1553	M	26.5	Very low	26.2	Very low	177 Å²	177	134.5 Å²	134.5	87%	0.872	69%	0.688	S	S	*	*			trans	74.7	155.8	-174.8	-56.8	-161.2	180	0	0	115.1
1554	N	26.6	Very low	26.5	Very low	83 Å²	83	132 Å²	132	44%	0.444	69%	0.688	S	S	.	*			cis	-136.9	-124.6	18.2	-157.7	-93.5	0	0	0	117.1	A599 V600	A599-N1554 VanDerWaalsContact C-CB 3.44Å; A599-N1554 WeakPolarHBondContact CA-OD1 3.25Å; A599-N1554 PolarHBondContact N-ND2 3.4Å; A599-N1554 VanDerWaalsContact N-ND2 3.15Å; A599-N1554 WeakPolarHBondContact O-CB 3.39Å; V600-N1554 PolarHBondContact N-OD1 2.88Å; V600-N1554 WeakPolarHBondContact O-CB 3.26Å
1555	K	30	Very low	27	Very low	116 Å²	116	131.2 Å²	131.2	50%	0.504	69%	0.69	S	S	.	*			trans	-165.2	161.1	-147.6	-150.7	179.6	165.5	-74.1	0	116.8	V600 A601	V600-K1555 CarbonylContact C-O 3.43Å; V600-K1555 WeakPolarHBondContact CA-O 3.12Å; V600-K1555 PolarHBondContact O-N 3.44Å; V600-K1555 VanDerWaalsContact O-N 3.07Å; A601-K1555 WeakPolarHBondContact CA-O 3.31Å
1556	D	26.8	Very low	27	Very low	65 Å²	65	129.7 Å²	129.7	35%	0.348	68%	0.683	S	S	.	*			trans	67.3	151.8	160.2	-63.8	-34.2	0	0	0	120.5	A601 A602	A601-D1556 CarbonylContact C-O 3.09Å; A601-D1556 WeakPolarHBondContact CA-O 3.48Å; A601-D1556 WeakPolarHBondContact CB-O 3.49Å; A602-D1556 PolarHBondContact N-O 2.98Å
1557	H	25.6	Very low	27.1	Very low	127 Å²	127	131 Å²	131	59%	0.588	67%	0.673	S	S	*	*			cis	-161.8	136.8	-39.1	-124.5	106	0	0	0	111.6	A603	A603-H1557 WeakPolarHBondContact CB-CD2 3.43Å; A603-H1557 CarbonylContact O-C 3.52Å
1558	C	25.7	Very low	27.2	Very low	71 Å²	71	127.1 Å²	127.1	48%	0.48	66%	0.659	S	S	.	*			trans	79.8	147	160.9	-76.8	0	0	0	0	119.6	A603	A603-C1558 VanDerWaalsContact O-CA 3.3Å; A603-C1558 WeakPolarHBondContact O-CA 3.47Å; A603-C1558 PolarHBondContact O-N 2.95Å
1559	N	25.8	Very low	27.1	Very low	95 Å²	95	124.9 Å²	124.9	51%	0.508	64%	0.641	S	S	.	*				-175.5	159.9	73.2	-104.4	-75.6	0	0	0	120.1
1560	K	29.9	Very low	27.2	Very low	171 Å²	171	125.8 Å²	125.8	74%	0.743	64%	0.635	S	S	*	*			trans	73.8	150.7	143.5	-75.2	163.9	-168.3	174.5	0	120.8
1561	K	27.4	Very low	27.4	Very low	173 Å²	173	120.9 Å²	120.9	75%	0.752	61%	0.61	S	S	*	*			cis	-170.6	-176.2	-25.5	-124.6	-170	-173.6	-170.7	0	110.6
1562	H	34	Very low	27.4	Very low	172 Å²	172	119.2 Å²	119.2	80%	0.796	60%	0.599	S	S	*	*			trans	77.6	132.4	169.1	-67.8	-79.9	0	0	0	116.9
1563	S	26	Very low	27.5	Very low	100 Å²	100	120.7 Å²	120.7	70%	0.699	59%	0.588	S	S	*	*			cis	-150.4	-162.8	-11.7	-63	0	0	0	0	107.4
1564	I	27.6	Very low	27.6	Very low	148 Å²	148	119.5 Å²	119.5	76%	0.759	58%	0.577	S	S	*	*			cis	-157.9	166.3	4.5	-166.4	161	0	0	0	109.4
1565	L	32.8	Very low	27.9	Very low	144 Å²	144	119.1 Å²	119.1	75%	0.754	58%	0.579	S	S	*	*			trans	63.9	112.8	-177.3	-56.2	178.8	0	0	0	114
1566	R	24.1	Very low	27.7	Very low	200 Å²	200	117.5 Å²	117.5	76%	0.755	58%	0.576	S	S	*	*				69.6	128.3	60.6	-68.5	-173.6	177.6	-164.2	1.9	112.8
1567	F	27	Very low	28.5	Very low	149 Å²	149	117 Å²	117	65%	0.654	58%	0.576	S	S	*	*			cis	-134.6	151.2	2.6	-81.6	-75.6	0	0	0	110.6
1568	D	27.1	Very low	28.7	Very low	102 Å²	102	113.3 Å²	113.3	55%	0.545	57%	0.572	S	S	.	*				42.4	148.4	128.1	-44.1	-3	0	0	0	120.3
1569	D	30.2	Very low	28.9	Very low	58 Å²	58	115.2 Å²	115.2	31%	0.31	57%	0.57	S	S	.	*			cis	-164.2	143.8	-17.3	-100.6	-24.2	0	0	0	109	L2498 Q2499	D1569-L2498 WeakPolarHBondContact OD2-CB 3.38Å; D1569-Q2499 PolarHBondContact OD2-N 2.86Å
1570	Q	24.7	Very low	29	Very low	113 Å²	113	117.6 Å²	117.6	53%	0.528	58%	0.582	S	S	.	*				54	138.9	92.3	-51.8	-170.6	81.1	0	0	114.6	F2497	Q1570-F2497 HydrophobicContact CB-CD1 3.67Å; Q1570-F2497 HydrophobicContact CB-CE1 3.71Å; Q1570-F2497 HydrophobicContact CG-CD1 4.32Å; Q1570-F2497 HydrophobicContact CG-CE1 4.22Å; Q1570-F2497 VanDerWaalsContact OE1-CD1 3.31Å
1571	D	26.8	Very low	28.9	Very low	46 Å²	46	112.2 Å²	112.2	25%	0.246	57%	0.566	C	S	.	*			cis	-167.1	-66.7	36	177.5	92.6	0	0	0	120	K1573 S2496 F2497	D1571-K1573 PolarHBondContact O-N 3.36Å; D1571-S2496 WeakPolarHBondContact OD1-CA 3.48Å; D1571-S2496 WeakPolarHBondContact OD1-CB 2.97Å; D1571-S2496 PolarHBondContact OD1-OG 2.86Å; D1571-F2497 HydrophobicContact CB-CD1 2.65Å; D1571-F2497 HydrophobicContact CB-CD2 3.83Å; D1571-F2497 HydrophobicContact CB-CE1 2.62Å; D1571-F2497 HydrophobicContact CB-CE2 3.8Å; D1571-F2497 HydrophobicContact CB-CG 3.28Å; D1571-F2497 HydrophobicContact CB-CZ 3.22Å; D1571-F2497 WeakPolarHBondContact O-CZ 3.27Å; D1571-F2497 WeakPolarHBondContact OD1-CD1 2.98Å; D1571-F2497 WeakPolarHBondContact OD1-CD2 3.43Å; D1571-F2497 WeakPolarHBondContact OD1-CE1 3.37Å; D1571-F2497 WeakPolarHBondContact OD1-CE2 3.44Å; D1571-F2497 WeakPolarHBondContact OD1-CG 3.14Å; D1571-F2497 WeakPolarHBondContact OD1-CZ 3.42Å; D1571-F2497 PolarHBondContact OD1-N 2.89Å; D1571-F2497 WeakPolarHBondContact OD2-CD1 3.22Å; D1571-F2497 WeakPolarHBondContact OD2-CD2 3.35Å; D1571-F2497 WeakPolarHBondContact OD2-CE1 3.42Å; D1571-F2497 WeakPolarHBondContact OD2-CE2 3.37Å; D1571-F2497 WeakPolarHBondContact OD2-CG 3.48Å; D1571-F2497 WeakPolarHBondContact OD2-CZ 3.15Å
1572	M	25.8	Very low	29	Very low	132 Å²	132	109.2 Å²	109.2	65%	0.65	56%	0.562	S	S	*	*			trans	-70	115.6	-139.2	-71.9	-73.7	168.2	0	0	120.9	F2497	M1572-F2497 HydrophobicContact CE-CB 4.3Å; M1572-F2497 HydrophobicContact CE-CD2 3.28Å; M1572-F2497 HydrophobicContact CE-CG 4.1Å; M1572-F2497 HydrophobicContact CG-CD2 4.38Å; M1572-F2497 HydrophobicContact SD-CD2 3.44Å; M1572-F2497 WeakPolarHBondContact SD-CD2 3.15Å; M1572-F2497 HydrophobicContact SD-CE2 3.94Å
1573	K	28.2	Very low	28.7	Very low	93 Å²	93	106 Å²	106	40%	0.404	56%	0.559	S	S	.	*				53.4	128.6	123.4	-58.4	-178.6	-169.6	155.7	0	124.3	D1571 Y2494 F2497	D1571-K1573 PolarHBondContact O-N 3.36Å; K1573-Y2494 HydrophobicContact CD-CE1 4.42Å; K1573-Y2494 HydrophobicContact CD-CE2 3.99Å; K1573-Y2494 WeakPolarHBondContact CD-OH 3.33Å; K1573-Y2494 WeakPolarHBondContact CE-OH 3.42Å; K1573-Y2494 VanDerWaalsContact NZ-CZ 3.27Å; K1573-Y2494 PolarHBondContact NZ-OH 2.67Å; K1573-F2497 HydrophobicContact CD-CE2 4.43Å; K1573-F2497 HydrophobicContact CG-CE2 3.78Å
1574	K	27.2	Very low	28.8	Very low	151 Å²	151	108.6 Å²	108.6	66%	0.657	57%	0.565	S	S	*	*			trans	-49.3	170.9	145.7	-49.3	174.6	-177.4	173.8	0	112.9	V858	V858-K1574 HydrophobicContact CG1-CB 3.89Å; V858-K1574 HydrophobicContact CG1-CG 4.06Å
1575	P	32.8	Very low	28.9	Very low	75 Å²	75	109 Å²	109	49%	0.487	56%	0.563	S	S	.	*			cis	-146.1	-161.6	23.7	42.8	-19.7	0	0	0	118.2
1576	L	26	Very low	28.6	Very low	83 Å²	83	106.8 Å²	106.8	44%	0.435	56%	0.56	S	S	.	*			trans	24.9	141.6	165.6	-77.4	170.3	0	0	0	124.2	T857 L859 S860	T857-L1576 CarbonylContact O-C 3.33Å; L859-L1576 VanDerWaalsContact C-CD2 3.49Å; L859-L1576 VanDerWaalsContact N-N 3.11Å; S860-L1576 VanDerWaalsContact N-CD2 3.32Å; S860-L1576 WeakPolarHBondContact O-CD1 3.32Å; S860-L1576 WeakPolarHBondContact O-CG 3.41Å
1577	P	44.2	Very low	28.7	Very low	54 Å²	54	108.7 Å²	108.7	35%	0.351	57%	0.567	S	S	.	*			trans	-89.8	155.7	167	37	-31.6	0	0	0	112.8	T857 Y1579	T857-P1577 WeakPolarHBondContact O-CA 3.37Å; T857-P1577 VanDerWaalsContact O-CB 3.23Å; T857-P1577 WeakPolarHBondContact O-CB 3.34Å; P1577-Y1579 HydrophobicContact CB-CE1 4.45Å; P1577-Y1579 HydrophobicContact CB-CE2 3.77Å
1578	G	28.7	Very low	28.7	Very low	49 Å²	49	106.9 Å²	106.9	51%	0.505	57%	0.573	S	S	.	*			trans	-165.9	162.8	179.8	0	0	0	0	0	109.9	S577	S577-G1578 WeakPolarHBondContact OG-CA 3.24Å
1579	Y	31.2	Very low	28.7	Very low	112 Å²	112	109.2 Å²	109.2	44%	0.439	59%	0.585	S	S	.	*				-161.2	145.8	-128.3	-71.7	154.6	0	0	0	115	V575 S576 S577 P1577	V575-Y1579 HydrophobicContact CB-CD2 4.34Å; V575-Y1579 HydrophobicContact CB-CG 4.17Å; V575-Y1579 HydrophobicContact CG1-CD2 3.56Å; V575-Y1579 HydrophobicContact CG1-CE2 4.44Å; V575-Y1579 HydrophobicContact CG1-CG 3.59Å; V575-Y1579 HydrophobicContact CG2-CD2 4.2Å; V575-Y1579 HydrophobicContact CG2-CE2 4.35Å; V575-Y1579 HydrophobicContact CG2-CG 4.35Å; S576-Y1579 VanDerWaalsContact C-CB 3.47Å; S576-Y1579 VanDerWaalsContact CA-CB 3.47Å; S576-Y1579 WeakPolarHBondContact CA-O 3.4Å; S576-Y1579 VanDerWaalsContact N-CB 3.3Å; S577-Y1579 PolarHBondContact N-O 3.43Å; S577-Y1579 PolarHBondContact OG-N 3.34Å; P1577-Y1579 HydrophobicContact CB-CE1 4.45Å; P1577-Y1579 HydrophobicContact CB-CE2 3.77Å
1580	L	27.7	Very low	28.4	Very low	145 Å²	145	112.8 Å²	112.8	76%	0.759	61%	0.609	S	S	*	*			trans	-150.8	174	164.2	-118.8	175	0	0	0	113.4	V575	V575-L1580 WeakPolarHBondContact CG1-O 3.18Å; V575-L1580 CarbonylContact O-C 3.15Å; V575-L1580 VanDerWaalsContact O-CA 3.28Å; V575-L1580 WeakPolarHBondContact O-CA 3.46Å; V575-L1580 PolarHBondContact O-N 3.21Å
1581	S	28.5	Very low	28.4	Very low	57 Å²	57	115.7 Å²	115.7	40%	0.399	62%	0.623	S	S	.	*			trans	-133.8	-177.1	-154.1	67.4	0	0	0	0	117.8	T574	T574-S1581 VanDerWaalsContact O-CB 3.32Å; T574-S1581 WeakPolarHBondContact O-CB 3.43Å
1582	T	27.9	Very low	28.4	Very low	110 Å²	110	120.6 Å²	120.6	68%	0.675	65%	0.649	S	S	*	*			trans	69.4	104.1	162.1	48.1	0	0	0	0	122.7
1583	S	29.4	Very low	28.3	Very low	105 Å²	105	118.8 Å²	118.8	73%	0.734	65%	0.654	S	S	*	*				48.8	126.1	116.8	-49.3	0	0	0	0	123
1584	L	27.9	Very low	28.4	Very low	155 Å²	155	121.9 Å²	121.9	81%	0.812	68%	0.675	S	S	*	*				-170.1	167.1	102.9	-101.9	161.8	0	0	0	114.4
1585	E	28.9	Very low	29	Very low	156 Å²	156	122.8 Å²	122.8	73%	0.729	69%	0.686	S	S	*	*			trans	60	88.8	155.3	-79.1	160.7	-151.5	0	0	123.4
1586	S	26.5	Very low	29.7	Very low	98 Å²	98	123.3 Å²	123.3	69%	0.685	69%	0.69	S	S	*	*				51.9	121.6	114.2	64.3	0	0	0	0	123.3
1587	R	25.2	Very low	29.9	Very low	239 Å²	239	126 Å²	126	90%	0.902	71%	0.705	S	S	*	*				35.7	122.7	129.6	-66.2	177.5	169.9	174.6	-4.5	118.8
1588	S	27.2	Very low	29.2	Very low	112 Å²	112	129 Å²	129	78%	0.783	72%	0.718	S	S	*	*				-165.6	139.8	99.5	36.5	0	0	0	0	114.9
1589	N	27.4	Very low	29.3	Very low	150 Å²	150	135.5 Å²	135.5	80%	0.802	74%	0.735	S	S	*	*			trans	24	142.3	143.2	-54.4	-3.7	0	0	0	122.3
1590	T	24.9	Very low	29.1	Very low	133 Å²	133	134.9 Å²	134.9	82%	0.816	74%	0.743	S	S	*	*			trans	-46	131.5	149.3	48.9	0	0	0	0	113.4
1591	Q	25.1	Very low	29.3	Very low	174 Å²	174	133.1 Å²	133.1	81%	0.813	74%	0.738	S	S	*	*				-172.3	162.9	119.8	-109.9	-179.7	7.2	0	0	114
1592	L	24.9	Very low	29.1	Very low	150 Å²	150	137.2 Å²	137.2	79%	0.785	76%	0.756	S	S	*	*			trans	64.3	77.2	155.9	-66.6	163	0	0	0	119.1
1593	A	24.3	Very low	29.2	Very low	93 Å²	93	136.5 Å²	136.5	77%	0.769	75%	0.745	S	S	*	*				36.4	121.3	114.2	0	0	0	0	0	120.4
1594	L	31.5	Very low	29.3	Very low	159 Å²	159	137 Å²	137	83%	0.832	74%	0.739	S	S	*	*			trans	-128.8	114.8	143.8	-86.8	175.4	0	0	0	109.9
1595	N	39	Very low	29.1	Very low	169 Å²	169	130.1 Å²	130.1	90%	0.904	70%	0.703	S	S	*	*			trans	-160.1	86.3	156.2	-138.3	11.2	0	0	0	107.4
1596	P	46.6	Very low	29.3	Very low	87 Å²	87	123.8 Å²	123.8	57%	0.565	67%	0.672	S	S	*	*			trans	-102.3	131.1	-159.6	35.1	-31.4	0	0	0	115.6
1597	N	29.9	Very low	29.1	Very low	139 Å²	139	121.7 Å²	121.7	74%	0.743	66%	0.658	S	S	*	*			trans	70	144.9	140	-62	47.3	0	0	0	120.2
1598	D	31.2	Very low	29.2	Very low	118 Å²	118	114.9 Å²	114.9	63%	0.631	64%	0.638	S	S	*	*			cis	-166.4	136.7	-28.4	-119.5	-40.2	0	0	0	111.9
1599	Q	29.8	Very low	29.1	Very low	185 Å²	185	110.9 Å²	110.9	86%	0.864	61%	0.608	S	S	*	*			trans	-146.6	93.4	139.9	-84.5	-156.1	-7.2	0	0	106.6
1600	T	27.2	Very low	29.1	Very low	99 Å²	99	107.4 Å²	107.4	61%	0.607	59%	0.589	S	S	*	*				67.4	151.5	88	63.3	0	0	0	0	116
1601	V	31.5	Very low	29.3	Very low	108 Å²	108	104.6 Å²	104.6	66%	0.655	57%	0.567	S	S	*	*			trans	76.8	96.9	156.1	167.5	0	0	0	0	117.2
1602	N	24.8	Very low	29.5	Very low	143 Å²	143	102.1 Å²	102.1	77%	0.765	56%	0.555	S	S	*	*			trans	67.2	-178.9	136.9	-61.2	-12.1	0	0	0	118.8
1603	Q	30.3	Very low	29.7	Very low	95 Å²	95	103 Å²	103	44%	0.444	55%	0.553	S	S	.	*			trans	84.7	117	172.4	-51.6	177.5	102.2	0	0	112	S763	S763-Q1603 PolarHBondContact OG-OE1 3.14Å
1604	L	30.4	Very low	30	Very low	116 Å²	116	101.7 Å²	101.7	61%	0.607	53%	0.533	S	S	*	.				58.2	142.3	58	-67.2	107.7	0	0	0	113.1	T765	T765-L1604 HydrophobicContact CG2-CD2 4.01Å
1605	T	24.9	Very low	30	Very low	10 Å²	10	100.1 Å²	100.1	6%	0.061	52%	0.521	C	S	.	.				-11.4	141.4	128.4	21.7	0	0	0	0	114.9	T765 M1619	T765-T1605 VanDerWaalsContact OG1-CB 3.27Å; T765-T1605 WeakPolarHBondContact OG1-CB 2.97Å; T765-T1605 PolarHBondContact OG1-OG1 2.98Å; T1605-M1619 HydrophobicContact CG2-CB 3.97Å; T1605-M1619 HydrophobicContact CG2-CG 3.75Å; T1605-M1619 HydrophobicContact CG2-SD 3.69Å; T1605-M1619 PolarHBondContact N-SD 2.96Å
1606	R	32.4	Very low	29.4	Very low	22 Å²	22	96.9 Å²	96.9	8%	0.083	50%	0.502	C	S	.	.			cis	-145.6	151.9	30.8	-100.6	119.6	-165.2	-109.1	-3.8	107.4	S762 K764 T765 S1617	S762-R1606 CarbonylContact C-O 2.77Å; S762-R1606 WeakPolarHBondContact CB-O 3.45Å; S762-R1606 PolarHBondContact OG-O 2.93Å; K764-R1606 VanDerWaalsContact C-CD 3.4Å; K764-R1606 WeakPolarHBondContact O-CD 3.4Å; K764-R1606 VanDerWaalsContact O-CZ 3.23Å; K764-R1606 PolarHBondContact O-NE 2.88Å; K764-R1606 VanDerWaalsContact O-NE 3.17Å; K764-R1606 PolarHBondContact O-NH1 3.33Å; T765-R1606 VanDerWaalsContact OG1-CD 3.28Å; T765-R1606 WeakPolarHBondContact OG1-CD 3.48Å; T765-R1606 PolarHBondContact OG1-NE 2.88Å; R1606-S1617 PolarHBondContact NH1-OG 2.68Å; R1606-S1617 PolarHBondContact NH2-OG 3.2Å
1607	S	23.4	Very low	28.5	Very low	54 Å²	54	93.8 Å²	93.8	38%	0.378	48%	0.483	S	S	.	.				62.2	74.1	50.3	-36.4	0	0	0	0	113.6	N1609	S1607-N1609 PolarHBondContact O-ND2 2.96Å
1608	I	26.2	Very low	28.5	Very low	97 Å²	97	90.8 Å²	90.8	50%	0.497	47%	0.466	S	S	.	.			trans	63	169.9	165.2	-39.5	156.5	0	0	0	113.6	S762	S762-I1608 WeakPolarHBondContact CA-O 3.44Å; S762-I1608 PolarHBondContact N-O 3.35Å
1609	N	25.9	Very low	28.4	Very low	27 Å²	27	91 Å²	91	14%	0.144	47%	0.465	C	S	.	.			trans	115.4	124.4	149.2	-55.7	-54.3	0	0	0	113.6	S762 S1607 E1615 M1616	S762-N1609 PolarHBondContact N-O 3.46Å; S762-N1609 VanDerWaalsContact N-O 3.17Å; S1607-N1609 PolarHBondContact O-ND2 2.96Å; N1609-E1615 PolarHBondContact ND2-O 2.77Å; N1609-E1615 PolarHBondContact OD1-O 3.16Å; N1609-M1616 HydrophobicContact CB-CE 3.57Å; N1609-M1616 VanDerWaalsContact ND2-CG 3.27Å; N1609-M1616 WeakPolarHBondContact ND2-CG 3.25Å
1610	N	26.9	Very low	28.5	Very low	77 Å²	77	85 Å²	85	41%	0.412	44%	0.444	S	S	.	.			cis	-144.3	135.3	13.9	-114.5	1.9	0	0	0	118.1
1611	E	29.8	Very low	28.8	Very low	74 Å²	74	84.1 Å²	84.1	35%	0.346	44%	0.438	S	S	.	.	S	Bend		80.3	154.3	127.3	-78.6	160.8	179.9	0	0	122.3	F1613 N1614	E1611-F1613 WeakPolarHBondContact CA-O 3.34Å; E1611-N1614 WeakPolarHBondContact CG-OD1 3.37Å; E1611-N1614 VanDerWaalsContact OE1-CG 3.31Å; E1611-N1614 PolarHBondContact OE1-OD1 3.39Å
1612	H	29.4	Very low	28.8	Very low	122 Å²	122	82.4 Å²	82.4	57%	0.565	43%	0.428	S	S	*	.	S	Bend	cis	-103.2	137.5	-9.5	-78.5	-67.4	0	0	0	110.9
1613	F	28.5	Very low	29.1	Very low	168 Å²	168	80.4 Å²	80.4	74%	0.737	42%	0.421	S	S	*	.	S	Bend	cis	-103.5	-154.9	10.9	-67	-77.6	0	0	0	114.1	E1611	E1611-F1613 WeakPolarHBondContact CA-O 3.34Å
1614	N	31.3	Very low	29.2	Very low	66 Å²	66	81 Å²	81	35%	0.353	43%	0.427	S	S	.	.			trans	-108.7	-161.8	-145.4	-48.2	9.4	0	0	0	110.7	E1611	E1611-N1614 WeakPolarHBondContact CG-OD1 3.37Å; E1611-N1614 VanDerWaalsContact OE1-CG 3.31Å; E1611-N1614 PolarHBondContact OE1-OD1 3.39Å
1615	E	30.6	Very low	29.1	Very low	126 Å²	126	79.9 Å²	79.9	59%	0.589	42%	0.421	S	S	*	.			cis	-157.8	-147.1	5.7	-150.4	156.4	91.7	0	0	113.1	N1609	N1609-E1615 PolarHBondContact ND2-O 2.77Å; N1609-E1615 PolarHBondContact OD1-O 3.16Å
1616	M	25.9	Very low	29.4	Very low	102 Å²	102	84.8 Å²	84.8	50%	0.502	44%	0.443	S	S	.	.			trans	-148.2	146.3	-159.7	-67.6	-170.1	-165.7	0	0	110.2	N1609	N1609-M1616 HydrophobicContact CB-CE 3.57Å; N1609-M1616 VanDerWaalsContact ND2-CG 3.27Å; N1609-M1616 WeakPolarHBondContact ND2-CG 3.25Å
1617	S	28.3	Very low	29.2	Very low	22 Å²	22	87.2 Å²	87.2	15%	0.154	46%	0.461	C	S	.	.			cis	-178.4	177	0.3	46.9	0	0	0	0	112.5	R1606	R1606-S1617 PolarHBondContact NH1-OG 2.68Å; R1606-S1617 PolarHBondContact NH2-OG 3.2Å
1618	N	30.8	Very low	29.4	Very low	75 Å²	75	92.8 Å²	92.8	40%	0.401	48%	0.475	S	S	.	.			trans	-129.5	-171.2	-167	-51.2	-51.3	0	0	0	114.8
1619	M	29	Very low	29.4	Very low	122 Å²	122	96.8 Å²	96.8	60%	0.601	48%	0.483	S	S	*	.			trans	91.2	154.4	169.3	-82.2	-171	170.9	0	0	119.4	T1605	T1605-M1619 HydrophobicContact CG2-CB 3.97Å; T1605-M1619 HydrophobicContact CG2-CG 3.75Å; T1605-M1619 HydrophobicContact CG2-SD 3.69Å; T1605-M1619 PolarHBondContact N-SD 2.96Å
1620	S	31.5	Very low	29.5	Very low	59 Å²	59	101.2 Å²	101.2	41%	0.413	50%	0.503	S	S	.	.			cis	-119.2	-131.9	12.9	51.6	0	0	0	0	116.7	V782 N783	V782-S1620 CarbonylContact C-O 3.41Å; V782-S1620 VanDerWaalsContact C-O 3.26Å; V782-S1620 CarbonylContact O-C 3.58Å; N783-S1620 WeakPolarHBondContact CA-O 3.37Å; N783-S1620 WeakPolarHBondContact CB-O 3.24Å; N783-S1620 VanDerWaalsContact CG-OG 3.32Å; N783-S1620 PolarHBondContact N-O 3.43Å; N783-S1620 PolarHBondContact ND2-N 3.41Å; N783-S1620 PolarHBondContact ND2-OG 3.11Å; N783-S1620 PolarHBondContact OD1-OG 3.16Å
1621	T	32.3	Very low	29.4	Very low	81 Å²	81	103.2 Å²	103.2	50%	0.497	51%	0.514	S	S	.	.			trans	-132.8	158.4	-151.2	48.1	0	0	0	0	118	V782 N783 N784	V782-T1621 WeakPolarHBondContact O-CA 3.15Å; N783-T1621 PolarHBondContact OD1-N 3.31Å; N783-T1621 PolarHBondContact OD1-O 3.23Å; N784-T1621 PolarHBondContact N-O 2.98Å
1622	T	31.4	Very low	29.4	Very low	73 Å²	73	105.6 Å²	105.6	45%	0.448	53%	0.529	S	S	.	.			trans	126.3	76.4	140.6	74.3	0	0	0	0	124.6	N784 G785	N784-T1622 CarbonylContact C-O 3.19Å; N784-T1622 CarbonylContact O-C 3.06Å; N784-T1622 VanDerWaalsContact O-C 3.24Å; G785-T1622 VanDerWaalsContact CA-O 3.24Å; G785-T1622 WeakPolarHBondContact CA-O 3.07Å; G785-T1622 PolarHBondContact N-O 2.72Å; G785-T1622 VanDerWaalsContact N-O 3.07Å
1623	T	32	Very low	29.3	Very low	100 Å²	100	107 Å²	107	61%	0.613	54%	0.54	S	S	*	.			trans	64.6	179.6	138.9	58.3	0	0	0	0	119.4	N784 G785 N786	N784-T1623 CarbonylContact C-O 3.22Å; N784-T1623 PolarHBondContact O-N 3.47Å; G785-T1623 CarbonylContact C-O 3.54Å; G785-T1623 VanDerWaalsContact CA-O 3.28Å; G785-T1623 WeakPolarHBondContact CA-O 3.39Å; G785-T1623 PolarHBondContact N-O 3.16Å; N786-T1623 PolarHBondContact N-O 2.91Å
1624	I	32.8	Very low	29.2	Very low	109 Å²	109	103.1 Å²	103.1	56%	0.559	52%	0.524	S	S	*	.			cis	-138.8	-111.1	5.2	-157.6	167.6	0	0	0	116.4	D787	D787-I1624 VanDerWaalsContact N-CG2 3.35Å
1625	N	28	Very low	28.9	Very low	92 Å²	92	103.9 Å²	103.9	49%	0.492	53%	0.525	S	S	.	.			trans	-139.7	163.3	-166	-54.1	-14.2	0	0	0	109.6	D787 V788	D787-N1625 CarbonylContact C-O 3.44Å; V788-N1625 PolarHBondContact N-O 3.39Å
1626	E	30.9	Very low	28.8	Very low	112 Å²	112	98.6 Å²	98.6	52%	0.523	50%	0.5	S	S	.	.				179	133.5	55.9	-143.3	142	-99.5	0	0	115.5	N789	N789-E1626 WeakPolarHBondContact CA-O 3.03Å; N789-E1626 PolarHBondContact N-O 3.13Å; N789-E1626 PolarHBondContact OD1-O 3.42Å
1627	T	27.8	Very low	29	Very low	73 Å²	73	100.1 Å²	100.1	45%	0.448	50%	0.504	S	S	.	.			trans	58.7	170.4	144	60.6	0	0	0	0	122.5	N790	N790-T1627 PolarHBondContact N-O 2.94Å
1628	Y	27.6	Very low	29.4	Very low	171 Å²	171	102.9 Å²	102.9	67%	0.671	52%	0.522	S	S	*	.			cis	-158.6	147.1	20.2	-119.5	-53.9	0	0	0	114.8
1629	R	27.2	Very low	29.5	Very low	181 Å²	181	105.6 Å²	105.6	68%	0.683	54%	0.535	S	S	*	.			trans	52.7	156.5	140	-91.7	178.1	164.9	134.2	2.6	123.8
1630	E	27	Very low	29.3	Very low	121 Å²	121	109.7 Å²	109.7	57%	0.565	55%	0.55	S	S	*	*			cis	-171.4	168.6	-15.4	-139.3	170.7	-132.9	0	0	113.3
1631	N	26.5	Very low	29	Very low	118 Å²	118	118.3 Å²	118.3	63%	0.631	57%	0.574	S	S	*	*			trans	66.3	153	157	-56.9	-35.5	0	0	0	119.7
1632	N	28.7	Very low	28.7	Very low	125 Å²	125	123.2 Å²	123.2	67%	0.668	59%	0.588	S	S	*	*			cis	-156.9	137.6	-13.7	-102.1	-18.2	0	0	0	108.7
1633	L	26.7	Very low	28.4	Very low	150 Å²	150	124.7 Å²	124.7	79%	0.785	60%	0.597	S	S	*	*				53.9	134.3	98.4	-66.2	174.6	0	0	0	116
1634	Q	27.2	Very low	28.1	Very low	88 Å²	88	126.6 Å²	126.6	41%	0.411	60%	0.599	S	S	.	*			cis	-145.9	158	17.2	-80.2	-164.7	-102.4	0	0	114.6	F1964	Q1634-F1964 PolarHBondContact OE1-O 3.07Å
1635	F	25.4	Very low	28	Very low	82 Å²	82	128.3 Å²	128.3	36%	0.36	61%	0.609	S	S	.	*			trans	57.7	150.6	135.9	-75.2	-133	0	0	0	120.8	H214 E1966	H214-F1635 PolarHBondContact CD2-O 3.31Å; H214-F1635 PolarHBondContact CE1-O 3.22Å; H214-F1635 PolarHBondContact ND1-O 3.46Å; H214-F1635 PolarHBondContact NE2-O 2.7Å; F1635-E1966 WeakPolarHBondContact CB-O 3.03Å
1636	N	27.6	Very low	28.2	Very low	15 Å²	15	129.2 Å²	129.2	8%	0.08	62%	0.62	C	S	.	*			cis	-162.5	168.3	-27.8	-135	-36.9	0	0	0	113.2	H214 N215 L216 Q218	H214-N1636 WeakPolarHBondContact CA-O 3.13Å; H214-N1636 HydrophobicContact CB-CB 4.35Å; H214-N1636 VanDerWaalsContact CB-O 3.31Å; H214-N1636 WeakPolarHBondContact CB-O 2.12Å; N215-N1636 VanDerWaalsContact C-C 3.44Å; N215-N1636 PolarHBondContact N-O 3.33Å; N215-N1636 VanDerWaalsContact N-O 3.08Å; L216-N1636 VanDerWaalsContact CA-CG 3.48Å; L216-N1636 VanDerWaalsContact CA-OD1 3.26Å; L216-N1636 WeakPolarHBondContact CA-OD1 3.15Å; L216-N1636 VanDerWaalsContact N-CG 3.34Å; L216-N1636 PolarHBondContact N-OD1 2.68Å; Q218-N1636 PolarHBondContact OE1-ND2 2.85Å; Q218-N1636 PolarHBondContact OE1-OD1 3.43Å
1637	F	30.9	Very low	27.9	Very low	133 Å²	133	131.5 Å²	131.5	58%	0.583	64%	0.635	S	S	*	*			trans	-69.4	-131.4	-157.8	-51	154	0	0	0	122	N215 L216 Q218	N215-F1637 VanDerWaalsContact C-C 3.45Å; N215-F1637 CarbonylContact C-O 3.28Å; N215-F1637 PolarHBondContact N-O 3.24Å; N215-F1637 CarbonylContact O-C 3.55Å; N215-F1637 WeakPolarHBondContact O-CA 3.37Å; N215-F1637 PolarHBondContact O-N 3.24Å; L216-F1637 VanDerWaalsContact N-N 3.14Å; Q218-F1637 HydrophobicContact CB-CE1 4.22Å
1638	P	36.8	Very low	27.8	Very low	81 Å²	81	132.3 Å²	132.3	53%	0.526	65%	0.649	S	S	.	*			cis	-137.6	-176.8	14.8	40.6	-19.4	0	0	0	120.5	N215 L216	N215-P1638 WeakPolarHBondContact O-CB 3.21Å; N215-P1638 WeakPolarHBondContact O-CD 3.34Å; N215-P1638 VanDerWaalsContact O-CG 3.26Å; N215-P1638 WeakPolarHBondContact O-CG 3.3Å; N215-P1638 VanDerWaalsContact O-N 3.1Å; L216-P1638 WeakPolarHBondContact O-CB 3.37Å
1639	L	31.5	Very low	27.8	Very low	131 Å²	131	135.1 Å²	135.1	69%	0.686	66%	0.66	S	S	*	*			trans	43.8	104.3	149.7	-74.2	177	0	0	0	125.8
1640	K	25	Very low	27.8	Very low	209 Å²	209	130.7 Å²	130.7	91%	0.909	66%	0.657	S	S	*	*				-174.7	-169	118.8	-109.4	171.9	-176.6	166.7	0	115.4
1641	W	26.5	Very low	28.1	Very low	239 Å²	239	133 Å²	133	91%	0.905	67%	0.665	S	S	*	*			trans	-121.2	169	-156.4	-84.3	27	0	0	0	116.5
1642	K	25.3	Very low	28.2	Very low	185 Å²	185	133 Å²	133	80%	0.804	67%	0.665	S	S	*	*			trans	96	151.7	155.2	-74.7	-159.6	171.8	-169.4	0	119.3
1643	V	25.3	Very low	28.1	Very low	104 Å²	104	134.5 Å²	134.5	63%	0.63	67%	0.67	S	S	*	*			cis	-169	159.2	-29.7	89.1	0	0	0	0	111.3
1644	E	25.6	Very low	28.3	Very low	139 Å²	139	133.3 Å²	133.3	65%	0.65	66%	0.664	S	S	*	*			trans	61.4	103.9	161.9	-73.8	158.1	-154.2	0	0	121
1645	D	31.7	Very low	28.5	Very low	145 Å²	145	134.9 Å²	134.9	78%	0.775	68%	0.675	S	S	*	*				42.5	139.9	111.4	-86.6	49.1	0	0	0	121.6
1646	P	30.6	Very low	28.8	Very low	112 Å²	112	137.5 Å²	137.5	73%	0.727	69%	0.693	S	S	*	*				-149.7	147	71.6	38.5	-19.9	0	0	0	119.2
1647	L	25.8	Very low	29	Very low	159 Å²	159	141 Å²	141	83%	0.832	72%	0.719	S	S	*	*			trans	52.5	142.7	140.6	-57.5	170.8	0	0	0	120.4
1648	A	25.5	Very low	29	Very low	90 Å²	90	142.5 Å²	142.5	74%	0.744	73%	0.728	S	S	*	*			cis	-166.8	142.7	-19	0	0	0	0	0	106.7
1649	Y	28.1	Very low	28.7	Very low	230 Å²	230	143 Å²	143	90%	0.902	73%	0.73	S	S	*	*			trans	-101.3	134.8	-176.4	-133.7	-84.8	0	0	0	113.4
1650	S	27.1	Very low	28.9	Very low	88 Å²	88	144.4 Å²	144.4	62%	0.615	73%	0.73	S	S	*	*			trans	-107	156	-178.6	59.3	0	0	0	0	112.8
1651	K	33.4	Very low	29	Very low	169 Å²	169	141 Å²	141	74%	0.735	72%	0.722	S	S	*	*			trans	-153.5	149.4	155.8	-73.1	-163.3	178.5	178.1	0	107
1652	N	26.7	Very low	29.1	Very low	119 Å²	119	136 Å²	136	64%	0.636	71%	0.713	S	S	*	*			cis	-159.4	148.6	-13.9	-110.3	11.4	0	0	0	105.9
1653	M	28	Very low	29.4	Very low	156 Å²	156	134.3 Å²	134.3	77%	0.768	71%	0.713	S	S	*	*			trans	-173.3	144.8	131.6	-91.5	-37.9	-170.3	0	0	108.2
1654	D	29.8	Very low	29.6	Very low	125 Å²	125	134.8 Å²	134.8	67%	0.668	71%	0.708	S	S	*	*			trans	38.4	131.2	142.7	-56.6	-8.1	0	0	0	120.3
1655	N	32.6	Very low	30	Very low	121 Å²	121	134.6 Å²	134.6	65%	0.647	71%	0.711	S	S	*	*			cis	-157.1	169.3	-2	-128.3	-49.4	0	0	0	111.5
1656	N	32.2	Very low	29.9	Very low	137 Å²	137	132.3 Å²	132.3	73%	0.733	70%	0.698	S	S	*	*			trans	9.3	140.2	160.7	-70.1	-26.6	0	0	0	121.3
1657	S	30.9	Very low	30	Very low	89 Å²	89	135 Å²	135	62%	0.622	70%	0.701	S	S	*	*			cis	-177.9	143.9	-5	50.4	0	0	0	0	110.8
1658	Q	30.6	Very low	30.2	Very low	165 Å²	165	133.9 Å²	133.9	77%	0.771	69%	0.692	S	S	*	*				48.2	141.2	126.9	-57.4	-165.6	11.9	0	0	120.5
1659	T	31.5	Very low	30.6	Very low	92 Å²	92	134.2 Å²	134.2	56%	0.564	68%	0.681	S	S	*	*			cis	-171.7	163.8	3.3	17.3	0	0	0	0	110.7
1660	K	34.1	Very low	30.7	Very low	159 Å²	159	127 Å²	127	69%	0.691	67%	0.665	S	S	*	*			trans	67.5	117.5	143.9	-72.9	157.2	-167.7	163.1	0	116.2
1661	N	28.1	Very low	31.2	Very low	138 Å²	138	127.3 Å²	127.3	74%	0.738	66%	0.664	S	S	*	*				99.4	125.6	50.9	-87.8	44.5	0	0	0	111.1
1662	N	28	Very low	31.1	Very low	135 Å²	135	124.8 Å²	124.8	72%	0.722	66%	0.655	S	S	*	*			trans	83.9	142.6	156	-59	14.3	0	0	0	118.1
1663	N	31.3	Very low	31.3	Very low	149 Å²	149	123 Å²	123	80%	0.797	65%	0.652	S	S	*	*			trans	69.4	79.1	169.8	-60.6	16.6	0	0	0	115.8
1664	E	30.8	Very low	31.4	Very low	114 Å²	114	122.7 Å²	122.7	53%	0.533	65%	0.653	S	S	.	*			trans	15.3	140.6	131	-65.2	-171.9	136.9	0	0	120.3
1665	L	33	Very low	31.3	Very low	134 Å²	134	125 Å²	125	70%	0.702	66%	0.66	S	S	*	*			trans	77.6	90.3	158.2	-63.3	165.2	0	0	0	117.7
1666	N	30.5	Very low	31.1	Very low	97 Å²	97	125.7 Å²	125.7	52%	0.519	66%	0.664	S	S	.	*				59.1	105	122.8	-59.8	19.4	0	0	0	116.9	Y196	Y196-N1666 PolarHBondContact OH-OD1 3.46Å
1667	E	31.7	Very low	30.9	Very low	168 Å²	168	127.4 Å²	127.4	79%	0.785	67%	0.667	S	S	*	*				74.5	127.7	91.3	-76.9	177.9	-174.8	0	0	113.8
1668	E	31.3	Very low	30.6	Very low	137 Å²	137	128.5 Å²	128.5	64%	0.64	67%	0.674	S	S	*	*			cis	-162.8	158.2	-15.7	-146.3	-172.9	-147.2	0	0	110.2	H2420	E1668-H2420 PolarHBondContact O-CE1 3.47Å
1669	N	32.9	Very low	30.5	Very low	97 Å²	97	128.3 Å²	128.3	52%	0.519	68%	0.676	S	S	.	*			trans	81.7	105.4	157.4	-58.4	-44.1	0	0	0	122.8	H2420	N1669-H2420 VanDerWaalsContact C-CD2 3.5Å; N1669-H2420 VanDerWaalsContact C-CE1 3.43Å; N1669-H2420 VanDerWaalsContact C-NE2 3.34Å; N1669-H2420 PolarHBondContact O-CE1 3.36Å; N1669-H2420 VanDerWaalsContact O-CG 3.25Å; N1669-H2420 PolarHBondContact O-ND1 3.49Å
1670	S	30.7	Very low	30.2	Very low	79 Å²	79	128 Å²	128	55%	0.552	68%	0.678	S	S	*	*			trans	105.6	172.5	130	-62.2	0	0	0	0	119.6	V2419 H2420	S1670-V2419 CarbonylContact O-C 2.92Å; S1670-H2420 WeakPolarHBondContact O-CA 2.92Å; S1670-H2420 WeakPolarHBondContact O-CB 3.28Å; S1670-H2420 PolarHBondContact O-CD2 2.63Å; S1670-H2420 PolarHBondContact O-N 3.48Å
1671	P	36.6	Very low	29.8	Very low	93 Å²	93	127.1 Å²	127.1	60%	0.604	68%	0.681	S	S	*	*	B	Isolated β-bridge	trans	-108.3	-173.6	-173.7	0	24.6	0	0	0	117.6	T2418 V2419 H2420	P1671-T2418 CarbonylContact C-O 3.55Å; P1671-T2418 VanDerWaalsContact C-O 3.27Å; P1671-T2418 WeakPolarHBondContact CA-O 3.21Å; P1671-T2418 VanDerWaalsContact CB-O 3.3Å; P1671-T2418 WeakPolarHBondContact CB-O 3.27Å; P1671-V2419 CarbonylContact C-O 3.27Å; P1671-V2419 CarbonylContact O-C 3.03Å; P1671-H2420 VanDerWaalsContact CA-N 3.29Å; P1671-H2420 PolarHBondContact O-N 2.76Å
1672	Q	31.5	Very low	30.1	Very low	117 Å²	117	127.2 Å²	127.2	55%	0.547	69%	0.686	S	S	.	*			trans	-84.8	164.4	-158.2	-100.9	-178.1	-6.8	0	0	116.4	T2418 V2419	Q1672-T2418 WeakPolarHBondContact CA-O 3.3Å; Q1672-T2418 WeakPolarHBondContact CB-O 3.12Å; Q1672-T2418 VanDerWaalsContact CD-OG1 3.24Å; Q1672-T2418 WeakPolarHBondContact CG-O 3.02Å; Q1672-T2418 PolarHBondContact N-O 2.79Å; Q1672-T2418 PolarHBondContact OE1-OG1 2.68Å; Q1672-V2419 WeakPolarHBondContact CA-O 3.39Å; Q1672-V2419 HydrophobicContact CG-CB 4.08Å; Q1672-V2419 WeakPolarHBondContact CG-O 3.12Å; Q1672-V2419 PolarHBondContact N-O 2.85Å
1673	S	32.4	Very low	30.2	Very low	81 Å²	81	125.1 Å²	125.1	57%	0.566	68%	0.68	S	S	*	*			cis	-156.4	152.9	0	50.2	0	0	0	0	112.2
1674	N	28.4	Very low	30.1	Very low	149 Å²	149	126.5 Å²	126.5	80%	0.797	69%	0.687	S	S	*	*			trans	62.6	141.1	145.5	-76.1	-16.2	0	0	0	120.5
1675	Q	29.5	Very low	30	Very low	173 Å²	173	127.1 Å²	127.1	81%	0.808	69%	0.693	S	S	*	*			trans	74.2	107.8	164.7	-66.7	-175.6	0.2	0	0	118.4
1676	N	27.2	Very low	29.8	Very low	137 Å²	137	126.8 Å²	126.8	73%	0.733	69%	0.692	S	S	*	*			trans	78.9	141.5	139.2	-57.1	-5.3	0	0	0	119.3
1677	E	27.3	Very low	29.8	Very low	172 Å²	172	128.1 Å²	128.1	80%	0.804	70%	0.699	S	S	*	*			trans	59.3	103.8	155.8	-68.9	171.8	179.5	0	0	118.3
1678	C	25.1	Very low	29.8	Very low	112 Å²	112	127.5 Å²	127.5	76%	0.757	70%	0.696	S	S	*	*				45.2	149.8	104.1	-57.8	0	0	0	0	120.3
1679	I	29.5	Very low	29.9	Very low	161 Å²	161	130.3 Å²	130.3	83%	0.826	70%	0.702	S	S	*	*			trans	81.4	100.1	159.4	-60.1	147.5	0	0	0	115.5
1680	S	24.9	Very low	29.8	Very low	87 Å²	87	131.4 Å²	131.4	61%	0.608	71%	0.707	S	S	*	*			trans	-38.5	155.6	150.1	53.6	0	0	0	0	116.4
1681	N	25.7	Very low	29.8	Very low	140 Å²	140	134.9 Å²	134.9	75%	0.749	71%	0.714	S	S	*	*			trans	82.7	117.9	156.5	-52.3	-27.3	0	0	0	118.4
1682	V	33.5	Very low	29.4	Very low	140 Å²	140	137.3 Å²	137.3	85%	0.848	72%	0.722	S	S	*	*				18.4	115.7	120.1	-178.9	0	0	0	0	114.9
1683	P	30.9	Very low	29.5	Very low	90 Å²	90	137 Å²	137	58%	0.584	73%	0.728	S	S	*	*				-150.3	159.8	100.5	39.5	-24.2	0	0	0	117.2	L1685	P1683-L1685 HydrophobicContact CB-CD1 4Å; P1683-L1685 HydrophobicContact CG-CD1 3.67Å
1684	L	29.4	Very low	29.4	Very low	179 Å²	179	138.5 Å²	138.5	94%	0.937	73%	0.734	S	S	*	*			trans	-106.3	142.4	132	-86.2	173.9	0	0	0	107.8
1685	L	29.2	Very low	29.5	Very low	126 Å²	126	138.3 Å²	138.3	66%	0.66	73%	0.729	S	S	*	*			trans	-87.7	138.4	-159.6	-104.6	73.1	0	0	0	114.6	P1683	P1683-L1685 HydrophobicContact CB-CD1 4Å; P1683-L1685 HydrophobicContact CG-CD1 3.67Å
1686	N	28.3	Very low	29.4	Very low	127 Å²	127	135.6 Å²	135.6	68%	0.679	72%	0.716	S	S	*	*			trans	62.5	145.7	131.9	-65	8.3	0	0	0	119.9
1687	N	29.6	Very low	29.6	Very low	126 Å²	126	136.9 Å²	136.9	67%	0.674	72%	0.715	S	S	*	*			cis	-150.6	138.3	9.5	-108.2	-19	0	0	0	110.6
1688	H	32.3	Very low	29.6	Very low	155 Å²	155	133.4 Å²	133.4	72%	0.718	71%	0.709	S	S	*	*				168.8	112.5	116.6	-100	-85.8	0	0	0	113
1689	Y	33.8	Very low	29.8	Very low	195 Å²	195	136.6 Å²	136.6	77%	0.765	71%	0.713	S	S	*	*			trans	55.3	139.9	145.2	-69.1	-123.4	0	0	0	120.3
1690	L	31.4	Very low	29.9	Very low	121 Å²	121	137.1 Å²	137.1	63%	0.634	72%	0.717	S	S	*	*			cis	-163.1	154.9	-13.8	-110.3	-175.1	0	0	0	109.9
1691	E	29.2	Very low	29.9	Very low	151 Å²	151	138.6 Å²	138.6	71%	0.706	73%	0.726	S	S	*	*			trans	55.8	109	150.6	-81.2	155.7	-151.7	0	0	124.1
1692	D	29.6	Very low	30.1	Very low	144 Å²	144	138.5 Å²	138.5	77%	0.77	73%	0.73	S	S	*	*				83.5	125.3	110.9	-76.3	26.3	0	0	0	127.7
1693	V	32.3	Very low	30	Very low	111 Å²	111	139.7 Å²	139.7	67%	0.673	73%	0.73	S	S	*	*				89.3	96.8	125.5	172.2	0	0	0	0	123.1
1694	T	30.2	Very low	29.8	Very low	113 Å²	113	142.6 Å²	142.6	69%	0.693	74%	0.736	S	S	*	*			trans	70.3	138.1	133	66.2	0	0	0	0	126.8
1695	E	30.2	Very low	29.8	Very low	145 Å²	145	137.5 Å²	137.5	68%	0.678	71%	0.714	S	S	*	*			trans	93.7	136.9	130.4	-87.7	-150.5	132.6	0	0	127.1
1696	Q	28.1	Very low	30	Very low	115 Å²	115	135.4 Å²	135.4	54%	0.537	71%	0.708	S	S	.	*			trans	65.2	114.8	147.7	-65.7	-165.2	43.9	0	0	126.6
1697	K	31.2	Very low	30.1	Very low	165 Å²	165	132.3 Å²	132.3	72%	0.717	69%	0.692	S	S	*	*				72.2	126.4	118.9	-67	-176.2	-169.3	149.1	0	125.2
1698	S	26.9	Very low	30.3	Very low	98 Å²	98	130 Å²	130	69%	0.685	67%	0.674	S	S	*	*				84.6	122.5	123.3	66.4	0	0	0	0	124.8
1699	Q	30.7	Very low	30.2	Very low	180 Å²	180	127.3 Å²	127.3	84%	0.841	66%	0.664	S	S	*	*			trans	61.8	125.1	137.4	-66	-179.2	-0.4	0	0	121.9
1700	L	29.7	Very low	29.9	Very low	171 Å²	171	124.8 Å²	124.8	90%	0.895	65%	0.653	S	S	*	*				-173.7	161.9	109.8	-104.3	161.7	0	0	0	113
1701	C	25.7	Very low	29.8	Very low	118 Å²	118	122.6 Å²	122.6	80%	0.797	65%	0.647	S	S	*	*			trans	-124.3	136.2	-178	-57.9	0	0	0	0	111.9
1702	V	30.2	Very low	29.7	Very low	139 Å²	139	121.9 Å²	121.9	84%	0.842	65%	0.646	S	S	*	*			trans	-157.5	142.8	155.4	-158	0	0	0	0	108.8
1703	I	30.3	Very low	29.6	Very low	165 Å²	165	121.6 Å²	121.6	85%	0.846	64%	0.64	S	S	*	*				-156.7	135.4	126.9	-65.5	-158.9	0	0	0	107.4
1704	E	28.3	Very low	29.4	Very low	151 Å²	151	122.4 Å²	122.4	71%	0.706	64%	0.64	S	S	*	*			trans	-111.6	161.4	158.8	-103.1	-159.5	124.4	0	0	111.9
1705	C	28.6	Very low	29.4	Very low	71 Å²	71	124.8 Å²	124.8	48%	0.48	65%	0.647	S	S	.	*			trans	-71	172.8	-173.7	-99.4	0	0	0	0	114.1	I140	I140-C1705 HydrophobicContact CG2-CB 4.27Å
1706	P	33.9	Very low	29.3	Very low	83 Å²	83	123 Å²	123	54%	0.539	65%	0.649	S	S	.	*			cis	-158.5	-179.6	41.3	46	-24.1	0	0	0	121.2	I140	I140-P1706 HydrophobicContact CG2-CB 3.94Å
1707	N	31	Very low	29.2	Very low	61 Å²	61	121.9 Å²	121.9	33%	0.326	66%	0.655	S	S	.	*			trans	67.2	171.1	152.6	-58.7	-23.1	0	0	0	119.1	L143 I145	L143-N1707 HydrophobicContact CD2-CB 4.37Å; L143-N1707 WeakPolarHBondContact CD2-OD1 2.92Å; I145-N1707 WeakPolarHBondContact CD1-ND2 2.94Å
1708	R	31.9	Very low	29.1	Very low	79 Å²	79	118.3 Å²	118.3	30%	0.298	65%	0.65	S	S	.	*			cis	-160.1	108	-42.3	-115.3	-171.6	160.8	-146.7	2.5	111.9	L143 P144 I145 H2240 N2241	L143-R1708 HydrophobicContact CB-CG 3.81Å; L143-R1708 HydrophobicContact CD1-CG 3.73Å; L143-R1708 HydrophobicContact CD2-CG 4.07Å; L143-R1708 HydrophobicContact CG-CG 4.04Å; L143-R1708 PolarHBondContact O-NH2 3.47Å; P144-R1708 HydrophobicContact CB-CG 4.23Å; P144-R1708 VanDerWaalsContact CD-CD 3.47Å; P144-R1708 VanDerWaalsContact CD-NH1 3.32Å; P144-R1708 HydrophobicContact CG-CG 3.81Å; P144-R1708 VanDerWaalsContact O-CZ 3.24Å; P144-R1708 PolarHBondContact O-NH2 3.46Å; I145-R1708 PolarHBondContact O-NH1 2.7Å; R1708-H2240 CarbonylContact C-O 3.23Å; R1708-H2240 VanDerWaalsContact CA-O 3.29Å; R1708-H2240 WeakPolarHBondContact CA-O 3.38Å; R1708-N2241 CarbonylContact C-O 3.21Å; R1708-N2241 VanDerWaalsContact CA-O 3.26Å; R1708-N2241 WeakPolarHBondContact CA-O 3.28Å; R1708-N2241 WeakPolarHBondContact CB-O 2.98Å; R1708-N2241 WeakPolarHBondContact CG-O 3.1Å
1709	L	30.1	Very low	29.2	Very low	98 Å²	98	117 Å²	117	51%	0.513	64%	0.636	S	S	.	*			trans	167.7	128.1	164.6	-106.4	169.7	0	0	0	114.9	T2239 H2240 N2241	L1709-T2239 VanDerWaalsContact C-C 3.46Å; L1709-T2239 CarbonylContact C-O 3.46Å; L1709-T2239 CarbonylContact O-C 3.56Å; L1709-T2239 WeakPolarHBondContact O-CA 3.09Å; L1709-T2239 WeakPolarHBondContact O-CB 3.48Å; L1709-T2239 PolarHBondContact O-N 3.04Å; L1709-T2239 PolarHBondContact O-OG1 3.33Å; L1709-H2240 VanDerWaalsContact C-CA 3.43Å; L1709-H2240 VanDerWaalsContact CA-C 3.46Å; L1709-H2240 PolarHBondContact N-O 2.94Å; L1709-H2240 VanDerWaalsContact N-O 3.11Å; L1709-H2240 PolarHBondContact O-N 3.46Å; L1709-H2240 VanDerWaalsContact O-N 3.12Å; L1709-N2241 VanDerWaalsContact C-N 3.25Å; L1709-N2241 PolarHBondContact N-O 3.22Å
1710	R	29.5	Very low	29	Very low	142 Å²	142	113.6 Å²	113.6	54%	0.536	62%	0.623	S	S	.	*			cis	-172.5	144.5	-17.8	169.3	161.1	-164.8	-68.3	-17.9	110.6	M1712 N2241	R1710-M1712 VanDerWaalsContact CZ-O 3.27Å; R1710-M1712 PolarHBondContact NH1-O 3.36Å; R1710-M1712 PolarHBondContact NH2-O 3.4Å; R1710-N2241 WeakPolarHBondContact CD-OD1 3.13Å; R1710-N2241 VanDerWaalsContact CG-OD1 3.31Å; R1710-N2241 WeakPolarHBondContact CG-OD1 3.48Å; R1710-N2241 PolarHBondContact NE-OD1 3.13Å
1711	S	28.3	Very low	29.1	Very low	74 Å²	74	112.1 Å²	112.1	52%	0.517	62%	0.615	S	S	.	*			trans	-140.4	153	155.8	86.7	0	0	0	0	111.1	N2241	S1711-N2241 PolarHBondContact O-ND2 3.4Å
1712	M	27.9	Very low	29.1	Very low	136 Å²	136	117.3 Å²	117.3	67%	0.67	62%	0.618	S	S	*	*			cis	-139.1	-156.5	-5.4	-135.1	160.5	160.1	0	0	107.6	R1710	R1710-M1712 VanDerWaalsContact CZ-O 3.27Å; R1710-M1712 PolarHBondContact NH1-O 3.36Å; R1710-M1712 PolarHBondContact NH2-O 3.4Å
1713	Q	27.1	Very low	29.1	Very low	139 Å²	139	117.1 Å²	117.1	65%	0.65	61%	0.612	S	S	*	*			cis	-156.4	163	2.9	-147	179.2	-93.7	0	0	108.7
1714	D	27.4	Very low	28.8	Very low	127 Å²	127	113.7 Å²	113.7	68%	0.679	60%	0.603	S	S	*	*			trans	60.4	151.2	165.7	-48.2	-38.8	0	0	0	117.9
1715	I	30.7	Very low	28.7	Very low	163 Å²	163	114.9 Å²	114.9	84%	0.836	61%	0.608	S	S	*	*			cis	-125.5	155.7	12.1	-66.2	169	0	0	0	111.7
1716	C	28.4	Very low	28.5	Very low	107 Å²	107	116.8 Å²	116.8	72%	0.723	62%	0.622	S	S	*	*			trans	-49.3	179.2	169.8	-53	0	0	0	0	117.3
1717	S	24.7	Very low	28.2	Very low	93 Å²	93	117.5 Å²	117.5	65%	0.65	64%	0.635	S	S	*	*			cis	-177.8	104.7	-37.2	-80.8	0	0	0	0	109.6
1718	S	29.9	Very low	28.2	Very low	89 Å²	89	119.1 Å²	119.1	62%	0.622	66%	0.657	S	S	*	*			trans	65.9	163.5	149.9	-49.5	0	0	0	0	121.7
1719	N	28.7	Very low	28.6	Very low	72 Å²	72	119.7 Å²	119.7	39%	0.385	68%	0.678	S	S	.	*			trans	72.7	147.9	175.8	-74.5	41.2	0	0	0	115.8	L2280 S2281	N1719-L2280 WeakPolarHBondContact OD1-CD1 3.41Å; N1719-L2280 WeakPolarHBondContact OD1-CD2 3.03Å; N1719-S2281 VanDerWaalsContact CG-CB 3.45Å; N1719-S2281 WeakPolarHBondContact ND2-CB 3.37Å; N1719-S2281 PolarHBondContact ND2-OG 3.12Å
1720	D	27	Very low	28.5	Very low	107 Å²	107	119.7 Å²	119.7	57%	0.572	69%	0.687	S	S	*	*			cis	-152.4	-175.2	5.3	-131	-34.1	0	0	0	112.1
1721	I	31.5	Very low	28.5	Very low	140 Å²	140	117.6 Å²	117.6	72%	0.718	69%	0.694	S	S	*	*			trans	74.3	120.2	163.8	-67.1	143.5	0	0	0	114.4
1722	W	25.4	Very low	28.7	Very low	228 Å²	228	117.5 Å²	117.5	86%	0.864	71%	0.705	S	S	*	*				79.1	154.8	57.4	-84.7	27.4	0	0	0	114.7
1723	D	30.3	Very low	29.1	Very low	134 Å²	134	118.7 Å²	118.7	72%	0.717	71%	0.712	S	S	*	*			trans	56.8	91.8	-179.9	-57.8	-32.8	0	0	0	115.8
1724	S	25.2	Very low	29.5	Very low	94 Å²	94	115.5 Å²	115.5	66%	0.657	72%	0.717	S	S	*	*				81	106.9	61.4	80.8	0	0	0	0	113.7
1725	E	24.7	Very low	29.9	Very low	176 Å²	176	115 Å²	115	82%	0.822	72%	0.723	S	S	*	*				54.4	124	127.8	-60.1	-160.4	146.6	0	0	121.1
1726	S	25.8	Very low	30	Very low	111 Å²	111	110.3 Å²	110.3	78%	0.776	72%	0.715	S	S	*	*				69.2	117.4	129	-60.4	0	0	0	0	119.7
1727	A	26.8	Very low	30.2	Very low	97 Å²	97	111.5 Å²	111.5	80%	0.802	72%	0.719	S	S	*	*				-162	154.4	96.3	0	0	0	0	0	114.4
1728	A	30.8	Very low	30.7	Very low	95 Å²	95	112.5 Å²	112.5	79%	0.785	72%	0.721	S	S	*	*			trans	72.1	154.8	148	0	0	0	0	0	121.4
1729	A	40.6	Very low	30.9	Very low	91 Å²	91	114 Å²	114	75%	0.752	73%	0.726	S	S	*	*			trans	47.1	65.3	162.6	0	0	0	0	0	115.3
1730	S	28.2	Very low	30.9	Very low	99 Å²	99	115.9 Å²	115.9	69%	0.692	74%	0.741	S	S	*	*			cis	59.1	139.4	43.4	94.3	0	0	0	0	115
1731	S	28.9	Very low	31.1	Very low	97 Å²	97	117.5 Å²	117.5	68%	0.678	76%	0.755	S	S	*	*			trans	46.6	109.5	154.3	54.5	0	0	0	0	118.2
1732	G	33.3	Very low	31.2	Very low	73 Å²	73	115 Å²	115	75%	0.753	76%	0.755	S	S	*	*			cis	101.5	-147.3	15.9	0	0	0	0	0	111.3
1733	I	34.9	Very low	31.6	Very low	160 Å²	160	109.2 Å²	109.2	82%	0.821	75%	0.75	S	S	*	*			trans	71.6	132.7	177.3	-47.9	173.2	0	0	0	113
1734	G	36.1	Very low	31.4	Very low	72 Å²	72	109.9 Å²	109.9	74%	0.742	75%	0.753	S	S	*	*			cis	-179.7	-171.6	-2.3	0	0	0	0	0	111
1735	S	36.9	Very low	31.6	Very low	117 Å²	117	112.2 Å²	112.2	82%	0.818	76%	0.758	S	S	*	*			cis	-155.4	162.2	-0.3	-71	0	0	0	0	108.3
1736	G	31.2	Very low	31.8	Very low	65 Å²	65	109.1 Å²	109.1	67%	0.67	76%	0.756	S	S	*	*			cis	-165.8	-151.2	-0.4	0	0	0	0	0	108.1
1737	V	33.6	Very low	31.9	Very low	132 Å²	132	111.2 Å²	111.2	80%	0.8	76%	0.758	S	S	*	*			cis	-157.8	135.3	5.6	169.6	0	0	0	0	105.8
1738	T	35.5	Very low	32.6	Very low	113 Å²	113	111.2 Å²	111.2	69%	0.693	75%	0.75	S	S	*	*			cis	89.4	111.2	19.8	71.4	0	0	0	0	116.2
1739	T	33.1	Very low	32.6	Very low	120 Å²	120	112.9 Å²	112.9	74%	0.736	75%	0.751	S	S	*	*			cis	-169.6	-178	-4.6	-13.9	0	0	0	0	111.7
1740	T	29.4	Very low	32.1	Very low	113 Å²	113	113.1 Å²	113.1	69%	0.693	75%	0.753	S	S	*	*			trans	71.8	139.9	144.5	43	0	0	0	0	124.2
1741	T	30.6	Very low	32.4	Very low	141 Å²	141	116.6 Å²	116.6	87%	0.865	76%	0.758	S	S	*	*			trans	50.8	174.3	143	57.5	0	0	0	0	121.8
1742	A	34	Very low	32.3	Very low	87 Å²	87	118.4 Å²	118.4	72%	0.719	76%	0.76	S	S	*	*	S	Bend	trans	-97.5	155.1	-165.5	0	0	0	0	0	114.9
1743	S	33.3	Very low	32.3	Very low	107 Å²	107	122 Å²	122	75%	0.748	76%	0.757	S	S	*	*	S	Bend	trans	59.8	118.9	166.5	47.1	0	0	0	0	118.9
1744	D	27.1	Very low	32.2	Very low	147 Å²	147	121 Å²	121	79%	0.786	75%	0.749	S	S	*	*			trans	70.6	118.4	153.1	-59.1	-8.5	0	0	0	121.7
1745	N	28.1	Very low	32.1	Very low	144 Å²	144	123.9 Å²	123.9	77%	0.77	74%	0.743	S	S	*	*			trans	82	95.8	151.7	-58.2	-38.7	0	0	0	121.8
1746	S	28.8	Very low	31.8	Very low	110 Å²	110	123.8 Å²	123.8	77%	0.769	73%	0.729	S	S	*	*			trans	64.7	117.3	132.4	60.2	0	0	0	0	123.4
1747	N	28.8	Very low	31.7	Very low	156 Å²	156	128.1 Å²	128.1	83%	0.834	73%	0.729	S	S	*	*				36.4	156.8	111.3	-100.3	-10.6	0	0	0	121.8
1748	P	41.4	Very low	31.6	Very low	97 Å²	97	128.6 Å²	128.6	63%	0.63	72%	0.723	S	S	*	*			cis	-146.9	168.9	-4.8	42.2	-21.9	0	0	0	119.2
1749	T	32	Very low	31.1	Very low	130 Å²	130	131 Å²	131	80%	0.798	73%	0.726	S	S	*	*			trans	53.5	118.2	140.6	55.7	0	0	0	0	126.8
1750	A	29.6	Very low	31	Very low	96 Å²	96	127.1 Å²	127.1	79%	0.793	70%	0.703	S	S	*	*				96	156.2	112	0	0	0	0	0	125.5
1751	Q	33.3	Very low	31.2	Very low	172 Å²	172	130.7 Å²	130.7	80%	0.804	71%	0.709	S	S	*	*			trans	87.1	103.7	163.3	-63.8	-162.6	-2	0	0	123.3
1752	N	28.5	Very low	31.3	Very low	134 Å²	134	130.1 Å²	130.1	72%	0.717	70%	0.696	S	S	*	*				59.8	148.2	122.4	-64.8	-9.6	0	0	0	126
1753	H	32.8	Very low	31.3	Very low	149 Å²	149	131.3 Å²	131.3	69%	0.69	70%	0.699	S	S	*	*			trans	95.2	127.6	150.1	-79.5	-73.5	0	0	0	122.7
1754	H	32.9	Very low	31.6	Very low	139 Å²	139	134.5 Å²	134.5	64%	0.644	70%	0.702	S	S	*	*			trans	76.8	145.5	141.2	-70.1	-21.3	0	0	0	121.2
1755	H	33.3	Very low	31.8	Very low	133 Å²	133	134.6 Å²	134.6	62%	0.616	70%	0.698	S	S	*	*			cis	-166.1	148.4	-26.3	-122.5	9.5	0	0	0	116.2
1756	Q	30.9	Very low	31.7	Very low	114 Å²	114	131.8 Å²	131.8	53%	0.533	68%	0.68	S	S	.	*			trans	56.8	124.1	137.4	-71.2	-173.7	34.1	0	0	124.4
1757	K	28.4	Very low	31.5	Very low	156 Å²	156	132 Å²	132	68%	0.678	67%	0.669	S	S	*	*				55.3	129.1	126.5	-50.6	167.2	-172	159.3	0	119.7
1758	Q	31.7	Very low	31.2	Very low	142 Å²	142	127.1 Å²	127.1	66%	0.664	64%	0.643	S	S	*	*				-174.6	144.2	92.7	-97.6	174	105.2	0	0	115.7
1759	Q	26.1	Very low	30.3	Very low	164 Å²	164	129.2 Å²	129.2	77%	0.766	64%	0.638	S	S	*	*			trans	-78.3	164.8	161.4	-97.2	-171.7	11.3	0	0	110.6	N1768	Q1759-N1768 PolarHBondContact O-ND2 2.79Å
1760	P	30.4	Very low	30.1	Very low	39 Å²	39	129 Å²	129	25%	0.253	64%	0.636	S	S	.	*			cis	-157.2	-161.3	48.3	48.2	-27.7	0	0	0	117.7	Q1767 N1768	P1760-Q1767 VanDerWaalsContact CD-CD 3.42Å; P1760-Q1767 HydrophobicContact CG-CB 3.56Å; P1760-Q1767 HydrophobicContact CG-CG 3.54Å; P1760-N1768 WeakPolarHBondContact CB-OD1 3.39Å; P1760-N1768 HydrophobicContact CG-CB 4.23Å; P1760-N1768 WeakPolarHBondContact CG-OD1 3.39Å
1761	K	33.4	Very low	29.9	Very low	187 Å²	187	130.9 Å²	130.9	81%	0.813	63%	0.627	S	S	*	*			trans	-73.5	162.9	172.4	-72.3	-177.2	176.7	178.5	0	114.5	H1766	K1761-H1766 PolarHBondContact O-ND1 2.95Å
1762	H	31.8	Very low	29.4	Very low	129 Å²	129	127.3 Å²	127.3	60%	0.597	62%	0.621	S	S	*	*			trans	-119.2	70.4	-179.7	-171.9	59.8	0	0	0	111	H1764 Q1765 H1766	H1762-H1764 AromaticContact NE2-ND1 4Å; H1762-H1764 PolarHBondContact O-N 2.96Å; H1762-H1764 VanDerWaalsContact O-N 3.16Å; H1762-Q1765 VanDerWaalsContact CE1-CA 3.47Å; H1762-Q1765 WeakPolarHBondContact CE1-CA 3.43Å; H1762-Q1765 PolarHBondContact ND1-O 3.14Å; H1762-Q1765 VanDerWaalsContact ND1-O 3.17Å; H1762-H1766 WeakPolarHBondContact ND1-CB 3.4Å; H1762-H1766 AromaticContact ND1-CG 3.73Å; H1762-H1766 AromaticContact ND1-ND1 3.65Å
1763	S	35.5	Very low	29.6	Very low	112 Å²	112	128 Å²	128	78%	0.783	62%	0.623	S	S	*	*	S	Bend	trans	-76.4	94.2	165.4	50.9	0	0	0	0	107.5	Q1765	S1763-Q1765 CarbonylContact C-O 3.48Å; S1763-Q1765 VanDerWaalsContact O-O 3.1Å
1764	H	39.5	Very low	29.8	Very low	174 Å²	174	127 Å²	127	81%	0.806	62%	0.623	S	S	*	*	S	Bend	trans	-5.3	127	-156	-80.7	-49.2	0	0	0	118.5	H1762	H1762-H1764 AromaticContact NE2-ND1 4Å; H1762-H1764 PolarHBondContact O-N 2.96Å; H1762-H1764 VanDerWaalsContact O-N 3.16Å
1765	Q	29.6	Very low	29.7	Very low	150 Å²	150	124 Å²	124	70%	0.701	62%	0.617	S	S	*	*	S	Bend	trans	66.2	158	-142.8	-90.4	-66.5	4.5	0	0	113.3	H1762 S1763	H1762-Q1765 VanDerWaalsContact CE1-CA 3.47Å; H1762-Q1765 WeakPolarHBondContact CE1-CA 3.43Å; H1762-Q1765 PolarHBondContact ND1-O 3.14Å; H1762-Q1765 VanDerWaalsContact ND1-O 3.17Å; S1763-Q1765 CarbonylContact C-O 3.48Å; S1763-Q1765 VanDerWaalsContact O-O 3.1Å
1766	H	26.5	Very low	29.4	Very low	85 Å²	85	123.6 Å²	123.6	39%	0.394	62%	0.62	S	S	.	*			trans	-123.7	132.6	-155.5	-161.9	38.2	0	0	0	113	K1761 H1762	K1761-H1766 PolarHBondContact O-ND1 2.95Å; H1762-H1766 WeakPolarHBondContact ND1-CB 3.4Å; H1762-H1766 AromaticContact ND1-CG 3.73Å; H1762-H1766 AromaticContact ND1-ND1 3.65Å
1767	Q	24.8	Very low	29.4	Very low	113 Å²	113	124.5 Å²	124.5	53%	0.528	63%	0.628	S	S	.	*			trans	72.9	147.6	168.2	-34.3	-154.1	-5.2	0	0	116.6	P1760	P1760-Q1767 VanDerWaalsContact CD-CD 3.42Å; P1760-Q1767 HydrophobicContact CG-CB 3.56Å; P1760-Q1767 HydrophobicContact CG-CG 3.54Å
1768	N	22.8	Very low	29.2	Very low	54 Å²	54	123.8 Å²	123.8	29%	0.289	63%	0.632	S	S	.	*			cis	-159.5	169.7	4.7	-144.9	-40.4	0	0	0	109.5	Q1759 P1760	Q1759-N1768 PolarHBondContact O-ND2 2.79Å; P1760-N1768 WeakPolarHBondContact CB-OD1 3.39Å; P1760-N1768 HydrophobicContact CG-CB 4.23Å; P1760-N1768 WeakPolarHBondContact CG-OD1 3.39Å
1769	R	21.9	Very low	29.3	Very low	141 Å²	141	126.8 Å²	126.8	53%	0.532	64%	0.639	S	S	.	*			trans	59.9	-160.9	157.2	-64.8	151.7	-167	-170.6	-0	110	K1771	R1769-K1771 HydrophobicContact CB-CD 4.32Å; R1769-K1771 HydrophobicContact CB-CG 4.06Å; R1769-K1771 HydrophobicContact CG-CD 4.12Å; R1769-K1771 HydrophobicContact CG-CG 4Å
1770	T	27.4	Very low	29.2	Very low	125 Å²	125	123 Å²	123	77%	0.767	63%	0.63	S	S	*	*			cis	-101.4	116.5	-16.7	37.6	0	0	0	0	110.1
1771	K	26.9	Very low	28.9	Very low	137 Å²	137	127.9 Å²	127.9	60%	0.596	65%	0.654	S	S	*	*				66.4	101	76.2	-84.2	-174.3	174.5	-173.5	0	108.8	R1769	R1769-K1771 HydrophobicContact CB-CD 4.32Å; R1769-K1771 HydrophobicContact CB-CG 4.06Å; R1769-K1771 HydrophobicContact CG-CD 4.12Å; R1769-K1771 HydrophobicContact CG-CG 4Å
1772	S	22.5	Very low	28.8	Very low	97 Å²	97	127 Å²	127	68%	0.678	65%	0.653	S	S	*	*				85.4	-176.1	88.6	77.8	0	0	0	0	110.1
1773	I	33.1	Very low	28.6	Very low	147 Å²	147	125.9 Å²	125.9	75%	0.754	65%	0.651	S	S	*	*			trans	70.9	104	-165.1	-47.2	173.7	0	0	0	109.4
1774	N	35.7	Very low	28	Very low	130 Å²	130	126.9 Å²	126.9	70%	0.695	65%	0.648	S	S	*	*			cis	-135.8	167.3	-5	-99	-12.7	0	0	0	108.2
1775	S	30.7	Very low	27.3	Very low	75 Å²	75	124.5 Å²	124.5	52%	0.524	65%	0.645	S	S	.	*			cis	64.4	144.4	44.6	134.8	0	0	0	0	111.2
1776	D	27.5	Very low	27.1	Very low	125 Å²	125	122.6 Å²	122.6	67%	0.668	65%	0.648	S	S	*	*			cis	-148.9	175.1	-17.1	-83.8	-44.2	0	0	0	107.3
1777	N	31.8	Very low	27.3	Very low	133 Å²	133	122.9 Å²	122.9	71%	0.711	66%	0.657	S	S	*	*			trans	71.3	136.6	160.1	-53.2	-44.5	0	0	0	116.4
1778	N	24.1	Very low	27.7	Very low	141 Å²	141	124.7 Å²	124.7	75%	0.754	67%	0.667	S	S	*	*			cis	62.7	61.5	43	-61.8	-17.3	0	0	0	114.2
1779	Y	33.2	Very low	28.6	Very low	205 Å²	205	128 Å²	128	80%	0.804	69%	0.685	S	S	*	*			trans	-147.4	116.4	133.8	-89.6	-80	0	0	0	104.6
1780	S	24.7	Very low	29.2	Very low	84 Å²	84	126.5 Å²	126.5	59%	0.587	69%	0.687	S	S	*	*			cis	63.3	112.9	41.7	92.3	0	0	0	0	111.7
1781	N	24.5	Very low	29.2	Very low	141 Å²	141	127.3 Å²	127.3	75%	0.754	69%	0.687	S	S	*	*			trans	66.3	147.8	-157.6	-35.3	-30.5	0	0	0	110.1
1782	Q	29.6	Very low	29.5	Very low	170 Å²	170	129.1 Å²	129.1	79%	0.794	70%	0.697	S	S	*	*			cis	-113.1	136	7.7	-67.7	-160.3	-103.8	0	0	109.8
1783	D	29.3	Very low	29.9	Very low	105 Å²	105	129.5 Å²	129.5	56%	0.561	70%	0.695	S	S	*	*				68	123.3	104	-63.5	-58.4	0	0	0	113.2
1784	N	22.9	Very low	29.7	Very low	133 Å²	133	130.7 Å²	130.7	71%	0.711	70%	0.696	S	S	*	*				58.6	143.4	68.9	-61.5	-51.1	0	0	0	112.3
1785	V	23.9	Very low	29.5	Very low	123 Å²	123	132.6 Å²	132.6	75%	0.745	70%	0.698	S	S	*	*			trans	46.2	87.4	151.4	-177.1	0	0	0	0	114.6	T1787	V1785-T1787 HydrophobicContact CG1-CG2 4.05Å
1786	S	26.5	Very low	29.5	Very low	110 Å²	110	135.2 Å²	135.2	77%	0.769	71%	0.706	S	S	*	*				-169.8	141	103.9	27	0	0	0	0	112
1787	T	30.8	Very low	29.6	Very low	92 Å²	92	134.9 Å²	134.9	56%	0.564	70%	0.704	S	S	*	*			cis	-176	158.6	-19.9	21.3	0	0	0	0	105.3	V1785	V1785-T1787 HydrophobicContact CG1-CG2 4.05Å
1788	M	32.9	Very low	29.7	Very low	151 Å²	151	135.6 Å²	135.6	74%	0.744	70%	0.704	S	S	*	*			trans	63.9	128.8	146	-70.3	153.4	-179.9	0	0	117.2
1789	D	40.1	Very low	30	Very low	124 Å²	124	134.4 Å²	134.4	66%	0.663	70%	0.697	S	S	*	*			cis	-132	128.7	7.6	-77.9	-55.8	0	0	0	111.4
1790	N	34.5	Very low	30	Very low	109 Å²	109	131 Å²	131	58%	0.583	69%	0.691	S	S	*	*				51.7	127.2	112.2	-40.8	-11.1	0	0	0	116.6
1791	D	28.5	Very low	30.3	Very low	141 Å²	141	135.8 Å²	135.8	75%	0.754	70%	0.701	S	S	*	*				65.6	145.9	87.3	-44.1	-48.6	0	0	0	113.1
1792	E	33.4	Very low	30.5	Very low	175 Å²	175	134 Å²	134	82%	0.818	70%	0.701	S	S	*	*			cis	-146.3	163.1	15.9	-152.4	163.8	-143.9	0	0	112
1793	T	29.8	Very low	30.4	Very low	105 Å²	105	133.8 Å²	133.8	64%	0.644	71%	0.705	S	S	*	*			trans	-60	142.2	176.2	48.2	0	0	0	0	114
1794	F	29.2	Very low	30.3	Very low	173 Å²	173	136.5 Å²	136.5	76%	0.759	72%	0.718	S	S	*	*				170.1	156.8	105.2	-104	-75.4	0	0	0	115.9
1795	F	31.8	Very low	30.8	Very low	169 Å²	169	133.1 Å²	133.1	74%	0.741	72%	0.715	S	S	*	*			trans	70.4	106.8	159	-74.6	-64.8	0	0	0	122.6
1796	N	31.2	Very low	31	Very low	131 Å²	131	132.2 Å²	132.2	70%	0.701	71%	0.714	S	S	*	*			trans	87.5	123.1	132.2	-74.6	1	0	0	0	124
1797	N	29.5	Very low	31.2	Very low	117 Å²	117	133.7 Å²	133.7	63%	0.626	71%	0.712	S	S	*	*			trans	85.3	112.3	135.1	-72.5	40.1	0	0	0	122.3
1798	E	33.4	Very low	31.1	Very low	149 Å²	149	134.5 Å²	134.5	70%	0.696	71%	0.713	S	S	*	*				95.3	105	122.9	-74	-174.7	-120.4	0	0	122.1
1799	N	30.6	Very low	30.9	Very low	115 Å²	115	134.7 Å²	134.7	62%	0.615	71%	0.705	S	S	*	*				97.7	121.2	112.7	-82.2	-28	0	0	0	122.2
1800	I	33.3	Very low	30.5	Very low	134 Å²	134	132.7 Å²	132.7	69%	0.687	70%	0.701	S	S	*	*			trans	75.1	132.3	130.6	-65.2	170.5	0	0	0	117.9
1801	K	30.7	Very low	30.5	Very low	184 Å²	184	130.7 Å²	130.7	80%	0.8	70%	0.695	S	S	*	*			cis	-154.6	163.2	-19	-118.6	175.7	-173.6	176.5	0	109.2
1802	S	29.6	Very low	30.5	Very low	105 Å²	105	131.4 Å²	131.4	73%	0.734	70%	0.698	S	S	*	*			trans	-57.5	130.3	176.4	52.3	0	0	0	0	115.1
1803	D	25.9	Very low	30.6	Very low	165 Å²	165	126.4 Å²	126.4	88%	0.882	67%	0.674	S	S	*	*			trans	-98.4	133.6	141.1	-94	-41.5	0	0	0	108.7
1804	L	28.9	Very low	30.9	Very low	162 Å²	162	123.9 Å²	123.9	85%	0.848	67%	0.669	S	S	*	*			trans	-133.3	101.1	162.3	-90.1	175.2	0	0	0	108.4
1805	G	33.1	Very low	31.8	Very low	62 Å²	62	121.1 Å²	121.1	64%	0.639	67%	0.666	S	S	*	*			trans	-57.8	139.6	152.5	0	0	0	0	0	108.8
1806	S	27.7	Very low	31.8	Very low	103 Å²	103	118.6 Å²	118.6	72%	0.72	67%	0.667	S	S	*	*			cis	51.5	143.8	33.3	-157.3	0	0	0	0	112.1
1807	I	31.1	Very low	31.7	Very low	141 Å²	141	119.8 Å²	119.8	72%	0.723	66%	0.661	S	S	*	*			trans	69.4	124.7	174.1	-79.9	160.2	0	0	0	110.5
1808	D	27.5	Very low	31.9	Very low	110 Å²	110	120 Å²	120	59%	0.588	67%	0.667	S	S	*	*			cis	178.9	-161.7	20.1	-153.1	-13.7	0	0	0	112.1
1809	R	29.7	Very low	31.6	Very low	154 Å²	154	119.2 Å²	119.2	58%	0.581	67%	0.668	S	S	*	*			trans	79.8	143.8	137.1	-83.5	148.6	-137.5	-164.3	5.7	117	N2185 G2186	R1809-N2185 VanDerWaalsContact CZ-O 3.26Å; R1809-N2185 PolarHBondContact NH1-O 2.8Å; R1809-G2186 WeakPolarHBondContact CD-O 3.02Å
1810	S	31.9	Very low	31.9	Very low	83 Å²	83	117.9 Å²	117.9	58%	0.58	67%	0.668	S	S	*	*			cis	-160.5	177.4	-3.9	58.4	0	0	0	0	109.6
1811	S	33.8	Very low	31.9	Very low	66 Å²	66	117.7 Å²	117.7	46%	0.462	67%	0.668	S	S	.	*			cis	-148.4	157.3	12.7	55.3	0	0	0	0	114.6	N2187	S1811-N2187 WeakPolarHBondContact CB-OD1 3.48Å
1812	L	29.4	Very low	32.3	Very low	157 Å²	157	113.5 Å²	113.5	82%	0.822	66%	0.662	S	S	*	*			trans	-132.3	69.7	159.9	-158.8	177.8	0	0	0	107.6
1813	F	33.6	Very low	32.8	Very low	69 Å²	69	115 Å²	115	30%	0.303	67%	0.666	S	S	.	*			trans	-144.2	152	179.3	-85.2	-71.4	0	0	0	112	Y2184 N2185 N2187	F1813-Y2184 HydrophobicContact CD1-CD1 4.46Å; F1813-Y2184 HydrophobicContact CD1-CE1 4.45Å; F1813-Y2184 AromaticContact CE1-CD1 3.67Å; F1813-Y2184 HydrophobicContact CE1-CD1 3.67Å; F1813-Y2184 AromaticContact CE1-CD2 3.38Å; F1813-Y2184 HydrophobicContact CE1-CD2 3.38Å; F1813-Y2184 AromaticContact CE1-CE1 3.87Å; F1813-Y2184 HydrophobicContact CE1-CE1 3.87Å; F1813-Y2184 AromaticContact CE1-CE2 3.6Å; F1813-Y2184 HydrophobicContact CE1-CE2 3.6Å; F1813-Y2184 AromaticContact CE1-CG 3.42Å; F1813-Y2184 HydrophobicContact CE1-CG 3.42Å; F1813-Y2184 VanDerWaalsContact CE1-CG 3.42Å; F1813-Y2184 AromaticContact CE1-CZ 3.83Å; F1813-Y2184 VanDerWaalsContact CZ-CA 3.48Å; F1813-Y2184 HydrophobicContact CZ-CD1 4.48Å; F1813-Y2184 AromaticContact CZ-CD2 3.65Å; F1813-Y2184 HydrophobicContact CZ-CD2 3.65Å; F1813-Y2184 HydrophobicContact CZ-CE2 4.2Å; F1813-Y2184 AromaticContact CZ-CG 3.81Å; F1813-Y2184 HydrophobicContact CZ-CG 3.81Å; F1813-N2185 WeakPolarHBondContact CD1-OD1 3.35Å; F1813-N2185 VanDerWaalsContact CE1-OD1 3.3Å; F1813-N2185 WeakPolarHBondContact CE1-OD1 3.12Å; F1813-N2187 VanDerWaalsContact CB-CG 3.49Å; F1813-N2187 WeakPolarHBondContact CB-ND2 3.36Å; F1813-N2187 VanDerWaalsContact CB-OD1 3.31Å; F1813-N2187 WeakPolarHBondContact CB-OD1 3.1Å
1814	G	38.1	Very low	33.3	Very low	52 Å²	52	110.3 Å²	110.3	54%	0.536	66%	0.657	S	S	.	*			cis	-146.2	143.5	-1.8	0	0	0	0	0	110.7	P1816	G1814-P1816 VanDerWaalsContact O-CD 3.29Å; G1814-P1816 WeakPolarHBondContact O-CD 3.5Å
1815	T	46.9	Very low	33.2	Very low	115 Å²	115	108.5 Å²	108.5	71%	0.706	66%	0.657	S	S	*	*			trans	-73.3	120.1	-169.4	57.2	0	0	0	0	112.2	Y2184	T1815-Y2184 PolarHBondContact OG1-OH 3.17Å
1816	P	32.9	Very low	32.8	Very low	116 Å²	116	111.3 Å²	111.3	75%	0.753	67%	0.667	S	S	*	*				-122.3	177.1	107	37.1	-35.6	0	0	0	111.7	G1814 T1818	G1814-P1816 VanDerWaalsContact O-CD 3.29Å; G1814-P1816 WeakPolarHBondContact O-CD 3.5Å; P1816-T1818 PolarHBondContact O-N 3.48Å
1817	R	28.8	Very low	32.6	Very low	156 Å²	156	117.1 Å²	117.1	59%	0.589	68%	0.675	S	S	*	*			trans	-74.7	120.2	159.6	-100	-165.1	-170.6	177.9	7.5	110.2	N1821	R1817-N1821 PolarHBondContact NH1-OD1 2.86Å; R1817-N1821 PolarHBondContact NH2-OD1 2.98Å
1818	T	34	Very low	32.2	Very low	122 Å²	122	116.7 Å²	116.7	75%	0.748	67%	0.67	S	S	*	*				-137.4	116.1	112.4	41.8	0	0	0	0	105.9	P1816	P1816-T1818 PolarHBondContact O-N 3.48Å
1819	D	26.7	Very low	32.1	Very low	133 Å²	133	120.6 Å²	120.6	71%	0.711	68%	0.676	S	S	*	*	S	Bend	cis	-149.5	145.9	15.9	-72.8	-52.1	0	0	0	115
1820	S	36.3	Very low	32	Very low	87 Å²	87	118.5 Å²	118.5	61%	0.608	68%	0.681	S	S	*	*			trans	46.8	145.8	144.3	74.2	0	0	0	0	123
1821	N	33.5	Very low	31.7	Very low	129 Å²	129	119.7 Å²	119.7	69%	0.69	68%	0.676	S	S	*	*			cis	-155.2	-175.3	-12.1	-130.3	-11.1	0	0	0	113.2	R1817	R1817-N1821 PolarHBondContact NH1-OD1 2.86Å; R1817-N1821 PolarHBondContact NH2-OD1 2.98Å
1822	S	38.2	Very low	31.3	Very low	96 Å²	96	122.9 Å²	122.9	67%	0.671	69%	0.687	S	S	*	*			trans	-117.7	-173.8	-165.3	54.1	0	0	0	0	116.5
1823	T	41.4	Very low	31.7	Very low	136 Å²	136	119.9 Å²	119.9	83%	0.834	68%	0.677	S	S	*	*			trans	-64.3	171.2	-179.5	47	0	0	0	0	115.7
1824	G	36.6	Very low	31.5	Very low	67 Å²	67	124.6 Å²	124.6	69%	0.691	70%	0.7	S	S	*	*			trans	-66.7	-175.2	175	0	0	0	0	0	115.1
1825	C	25.1	Very low	31.1	Very low	125 Å²	125	128 Å²	128	85%	0.845	71%	0.705	S	S	*	*			cis	-109	160.2	31.7	-66.9	0	0	0	0	116.6
1826	S	24.6	Very low	30	Very low	121 Å²	121	128.9 Å²	128.9	85%	0.846	71%	0.705	S	S	*	*	S	Bend	trans	72.5	171.6	163.3	-56.1	0	0	0	0	117.7
1827	Y	24.6	Very low	29.9	Very low	224 Å²	224	133.6 Å²	133.6	88%	0.878	71%	0.709	S	S	*	*	S	Bend	trans	-67.4	149.9	-179.9	-97.9	-109.1	0	0	0	113
1828	E	23.7	Very low	29.8	Very low	132 Å²	132	134.4 Å²	134.4	62%	0.617	72%	0.717	S	S	*	*			trans	69.4	119.3	155.5	-67	-149.1	108.9	0	0	122
1829	R	25.1	Very low	29.5	Very low	193 Å²	193	134 Å²	134	73%	0.728	71%	0.71	S	S	*	*			trans	70.4	151.8	134.7	-60	179	-158.3	-161.1	11.7	122.8
1830	T	26.7	Very low	29.6	Very low	110 Å²	110	133.2 Å²	133.2	68%	0.675	71%	0.706	S	S	*	*			trans	86.8	175.3	154.6	70.1	0	0	0	0	119.4	H443	H443-T1830 WeakPolarHBondContact O-CA 3.35Å; H443-T1830 VanDerWaalsContact O-CG2 3.29Å; H443-T1830 WeakPolarHBondContact O-CG2 3.4Å
1831	F	25.9	Very low	29.1	Very low	108 Å²	108	135.3 Å²	135.3	47%	0.474	71%	0.711	S	S	.	*			trans	-130.9	159	-141	-110.7	-138.1	0	0	0	112.5	H443 T444	H443-F1831 HydrophobicContact CB-CB 3.42Å; H443-F1831 VanDerWaalsContact CB-CB 3.42Å; H443-F1831 HydrophobicContact CB-CD1 3.56Å; H443-F1831 HydrophobicContact CB-CD2 4.07Å; H443-F1831 HydrophobicContact CB-CE1 4.28Å; H443-F1831 HydrophobicContact CB-CG 3.46Å; H443-F1831 VanDerWaalsContact CB-CG 3.46Å; H443-F1831 AromaticContact CG-CD1 3.43Å; H443-F1831 VanDerWaalsContact CG-CD1 3.43Å; H443-F1831 AromaticContact CG-CE1 3.99Å; H443-F1831 AromaticContact CG-CG 3.91Å; H443-F1831 AromaticContact ND1-CD1 3.43Å; H443-F1831 WeakPolarHBondContact ND1-CD1 2.45Å; H443-F1831 AromaticContact ND1-CE1 3.48Å; H443-F1831 WeakPolarHBondContact ND1-CE1 3.01Å; T444-F1831 WeakPolarHBondContact O-CD2 3.49Å; T444-F1831 VanDerWaalsContact OG1-CE1 3.3Å; T444-F1831 WeakPolarHBondContact OG1-CE1 3.25Å; T444-F1831 WeakPolarHBondContact OG1-CE2 3.01Å; T444-F1831 WeakPolarHBondContact OG1-CZ 2.87Å
1832	N	24.4	Very low	29.1	Very low	133 Å²	133	136.2 Å²	136.2	71%	0.711	72%	0.715	S	S	*	*				34.2	154	120.3	-126.6	14.6	0	0	0	120.2
1833	P	39.5	Very low	28.7	Very low	93 Å²	93	138.1 Å²	138.1	60%	0.604	72%	0.716	S	S	*	*			cis	-153.5	-172.9	10.4	49.6	-30.5	0	0	0	118.7
1834	Q	28	Very low	28.2	Very low	169 Å²	169	138.7 Å²	138.7	79%	0.79	71%	0.709	S	S	*	*			trans	65.7	157.6	149.5	-63.9	-146.2	-34.9	0	0	119.7
1835	I	30.4	Very low	28	Very low	123 Å²	123	138 Å²	138	63%	0.631	69%	0.693	S	S	*	*			cis	-151.6	169.3	-13.1	-122.5	177.3	0	0	0	111.1
1836	N	24.4	Very low	28.4	Very low	133 Å²	133	136.1 Å²	136.1	71%	0.711	68%	0.682	S	S	*	*			trans	-41.1	149.7	168.8	-54.8	-26	0	0	0	115.6
1837	Y	31.1	Very low	28.5	Very low	215 Å²	215	135.2 Å²	135.2	84%	0.843	67%	0.674	S	S	*	*				-166.1	161.9	101.8	-109.7	-78.4	0	0	0	113.9
1838	K	26	Very low	28.9	Very low	173 Å²	173	131.8 Å²	131.8	75%	0.752	68%	0.677	S	S	*	*			trans	-49	161.3	-179.2	-86.5	-174.8	172.4	-167.2	0	119.6
1839	N	27.2	Very low	29.2	Very low	114 Å²	114	130.3 Å²	130.3	61%	0.61	68%	0.68	S	S	*	*			trans	84	126.8	139.5	-81	43.6	0	0	0	121.1
1840	D	28.4	Very low	29.4	Very low	116 Å²	116	127.6 Å²	127.6	62%	0.62	68%	0.678	S	S	*	*				71.6	102.8	125.9	-55.4	-7.2	0	0	0	122.1
1841	N	27.3	Very low	29.7	Very low	132 Å²	132	127.6 Å²	127.6	71%	0.706	67%	0.671	S	S	*	*				83.3	148.5	115.5	-74.6	-38.1	0	0	0	121.9
1842	L	31.7	Very low	30.1	Very low	148 Å²	148	128 Å²	128	78%	0.775	67%	0.672	S	S	*	*			trans	60.3	119.8	145.6	-69.9	164.5	0	0	0	116.8
1843	I	31.3	Very low	30.3	Very low	135 Å²	135	129 Å²	129	69%	0.692	67%	0.666	S	S	*	*				-177.3	149.3	54.5	-114.5	154.4	0	0	0	112.2
1844	H	30.5	Very low	29.9	Very low	149 Å²	149	126.2 Å²	126.2	69%	0.69	65%	0.645	S	S	*	*			trans	60.2	100.4	155.5	-84.2	-102.4	0	0	0	124.9
1845	S	31.9	Very low	30	Very low	52 Å²	52	125.5 Å²	125.5	36%	0.364	64%	0.639	S	S	.	*				64.7	121	104.5	78.4	0	0	0	0	122.4
1846	S	33	Very low	29.8	Very low	86 Å²	86	129 Å²	129	60%	0.601	64%	0.644	S	S	*	*				140.8	143.8	98.8	62.6	0	0	0	0	114.2	P2140	S1846-P2140 PolarHBondContact N-O 2.79Å; S1846-P2140 VanDerWaalsContact N-O 3.13Å
1847	C	28.4	Very low	29.9	Very low	102 Å²	102	128.3 Å²	128.3	69%	0.689	64%	0.641	S	S	*	*			trans	-102.1	151.3	-177.1	-58.7	0	0	0	0	112.6
1848	T	32.5	Very low	29.8	Very low	152 Å²	152	125.2 Å²	125.2	93%	0.933	64%	0.639	S	S	*	*			trans	-163.2	154.7	130.6	7.4	0	0	0	0	110.3
1849	C	29.3	Very low	29.8	Very low	100 Å²	100	121.2 Å²	121.2	68%	0.676	63%	0.633	S	S	*	*			trans	-137.1	138.8	-175.8	-161.6	0	0	0	0	106.2
1850	I	30.2	Very low	29.7	Very low	136 Å²	136	124.3 Å²	124.3	70%	0.697	64%	0.643	S	S	*	*				176.8	148.1	82.6	-83.4	166.9	0	0	0	107
1851	Q	32.7	Very low	29.8	Very low	111 Å²	111	124.4 Å²	124.4	52%	0.519	65%	0.653	S	S	.	*			trans	107.3	117.9	164	-47.3	-136.6	-10.2	0	0	123.5	Q2134	Q1851-Q2134 HydrophobicContact CB-CG 4.1Å; Q1851-Q2134 VanDerWaalsContact CG-CD 3.4Å; Q1851-Q2134 HydrophobicContact CG-CG 4.22Å; Q1851-Q2134 VanDerWaalsContact CG-OE1 3.3Å
1852	K	33.5	Very low	29.7	Very low	115 Å²	115	125.2 Å²	125.2	50%	0.5	66%	0.663	S	S	.	*			trans	86.5	149	149.4	-41.1	-154.1	175.6	161.2	0	117.5	N2133 N2136	K1852-N2133 WeakPolarHBondContact CD-OD1 3.25Å; K1852-N2133 WeakPolarHBondContact CG-OD1 3.27Å; K1852-N2136 PolarHBondContact O-ND2 3.35Å
1853	R	29.2	Very low	29.5	Very low	155 Å²	155	124 Å²	124	59%	0.585	67%	0.665	S	S	*	*			cis	-159.1	151	-22	-108.7	-167.8	146.3	161.5	-4.7	107.6	I2132 N2133	R1853-I2132 HydrophobicContact CB-CG1 4.11Å; R1853-I2132 HydrophobicContact CG-CG1 3.81Å; R1853-I2132 VanDerWaalsContact CZ-O 3.3Å; R1853-I2132 VanDerWaalsContact NE-C 3.3Å; R1853-I2132 PolarHBondContact NE-O 2.82Å; R1853-I2132 PolarHBondContact NH2-O 2.96Å; R1853-N2133 WeakPolarHBondContact CD-OD1 3.41Å; R1853-N2133 HydrophobicContact CG-CB 4.15Å; R1853-N2133 WeakPolarHBondContact CG-OD1 3.48Å; R1853-N2133 PolarHBondContact NE-ND2 2.92Å; R1853-N2133 PolarHBondContact NE-OD1 2.76Å; R1853-N2133 PolarHBondContact NH2-ND2 3.27Å
1854	Q	30.2	Very low	29.3	Very low	35 Å²	35	121.8 Å²	121.8	16%	0.164	66%	0.662	C	S	.	*			trans	-71.8	172.1	-179.5	-48.4	172.4	96.6	0	0	115.2	N2129 N2130 S2131 I2132	Q1854-N2129 WeakPolarHBondContact CB-OD1 3.24Å; Q1854-N2129 VanDerWaalsContact CG-OD1 3.25Å; Q1854-N2129 WeakPolarHBondContact CG-OD1 3.17Å; Q1854-N2129 VanDerWaalsContact OE1-CG 3.27Å; Q1854-N2129 PolarHBondContact OE1-OD1 2.87Å; Q1854-N2130 PolarHBondContact NE2-OD1 2.93Å; Q1854-N2130 VanDerWaalsContact OE1-CA 3.27Å; Q1854-S2131 VanDerWaalsContact CG-CB 3.47Å; Q1854-I2132 HydrophobicContact CB-CB 4.01Å; Q1854-I2132 HydrophobicContact CG-CB 3.98Å; Q1854-I2132 VanDerWaalsContact NE2-CB 3.3Å; Q1854-I2132 WeakPolarHBondContact O-CD1 3.39Å
1855	K	30.9	Very low	29.2	Very low	153 Å²	153	124.7 Å²	124.7	67%	0.665	67%	0.669	S	S	*	*				-158.8	147.7	119.3	-115	168.5	-174.6	176.7	0	113.6	I2132	K1855-I2132 HydrophobicContact CG-CD1 4.08Å
1856	R	26	Very low	29.1	Very low	196 Å²	196	126.6 Å²	126.6	74%	0.74	67%	0.672	S	S	*	*				34.5	145.3	126.6	-77.2	-168.3	-170.6	176.6	-1.2	119.8
1857	D	26.8	Very low	28.8	Very low	119 Å²	119	125.2 Å²	125.2	64%	0.636	65%	0.653	S	S	*	*			cis	-154.1	179.7	14.2	-92.2	-40.1	0	0	0	110
1858	N	28.2	Very low	28.7	Very low	151 Å²	151	128.5 Å²	128.5	81%	0.807	66%	0.658	S	S	*	*			trans	72	152.8	156.6	-69.2	-27.3	0	0	0	118.5
1859	S	26.3	Very low	28.4	Very low	88 Å²	88	125.7 Å²	125.7	62%	0.615	63%	0.631	S	S	*	*			cis	-168.1	157.8	-14.5	47.7	0	0	0	0	111.8
1860	Q	26.3	Very low	28.4	Very low	179 Å²	179	127.7 Å²	127.7	84%	0.836	63%	0.63	S	S	*	*			trans	55.5	112.9	153	-67.3	167.5	5	0	0	119.6
1861	S	29.1	Very low	28.2	Very low	119 Å²	119	125.4 Å²	125.4	83%	0.832	62%	0.62	S	S	*	*				164.6	82.6	113	48.6	0	0	0	0	113.9
1862	T	26.3	Very low	28.1	Very low	148 Å²	148	128.5 Å²	128.5	91%	0.908	63%	0.634	S	S	*	*			trans	-120.4	75.7	170	36.2	0	0	0	0	111.5
1863	C	26.7	Very low	27.9	Very low	122 Å²	122	130 Å²	130	82%	0.824	65%	0.647	S	S	*	*			trans	-145.5	138.1	173.5	-91.6	0	0	0	0	107
1864	S	26.7	Very low	28	Very low	90 Å²	90	128.4 Å²	128.4	63%	0.629	65%	0.654	S	S	*	*			cis	-153.9	172.8	8	-75	0	0	0	0	112.2
1865	Y	30	Very low	27.9	Very low	209 Å²	209	133.1 Å²	133.1	82%	0.82	68%	0.68	S	S	*	*			trans	75.8	139	165.4	-68	-89.7	0	0	0	120
1866	H	28	Very low	28	Very low	93 Å²	93	128.6 Å²	128.6	43%	0.431	68%	0.677	S	S	.	*			cis	-171.9	137.8	-45	-122.7	-39.6	0	0	0	113.1	N2088 R2089	H1866-N2088 PolarHBondContact O-ND2 3.32Å; H1866-R2089 PolarHBondContact CD2-NH2 3.3Å; H1866-R2089 PolarHBondContact NE2-NH2 3.44Å
1867	R	28.2	Very low	28.1	Very low	56 Å²	56	125.9 Å²	125.9	21%	0.211	68%	0.677	C	S	.	*			trans	56.4	86.5	136.8	-89.5	174.5	170.4	156.4	-10.9	119.8	Y1869 N2088 R2089 E2094	R1867-Y1869 HydrophobicContact CG-CD2 3.9Å; R1867-Y1869 HydrophobicContact CG-CE2 4.4Å; R1867-Y1869 PolarHBondContact O-N 3.33Å; R1867-N2088 WeakPolarHBondContact O-CB 3.28Å; R1867-N2088 VanDerWaalsContact O-CG 3.23Å; R1867-N2088 PolarHBondContact O-ND2 3.17Å; R1867-R2089 HydrophobicContact CB-CG 3.81Å; R1867-R2089 WeakPolarHBondContact O-CA 3.33Å; R1867-E2094 IonicContact NH1-OE1 3.19Å; R1867-E2094 PolarHBondContact NH1-OE1 3.31Å; R1867-E2094 IonicContact NH2-OE1 3.6Å
1868	H	25.9	Very low	28.4	Very low	171 Å²	171	128 Å²	128	79%	0.792	69%	0.686	S	S	*	*			trans	-45.4	125.9	131.6	-127.8	-77.9	0	0	0	108.8	P2090	H1868-P2090 WeakPolarHBondContact O-CD 3.41Å; H1868-P2090 WeakPolarHBondContact O-CG 3.37Å
1869	Y	26.8	Very low	28.5	Very low	94 Å²	94	124.8 Å²	124.8	37%	0.369	68%	0.676	S	S	.	*			trans	-152.1	129.4	172	-71.7	-110.2	0	0	0	94.4	R1867 D1871 R2089 P2090	R1867-Y1869 HydrophobicContact CG-CD2 3.9Å; R1867-Y1869 HydrophobicContact CG-CE2 4.4Å; R1867-Y1869 PolarHBondContact O-N 3.33Å; Y1869-D1871 WeakPolarHBondContact CD1-OD2 3.16Å; Y1869-R2089 CarbonylContact C-O 3.35Å; Y1869-R2089 CarbonylContact O-C 3.49Å; Y1869-R2089 VanDerWaalsContact O-O 3.1Å; Y1869-P2090 HydrophobicContact CD1-CB 3.55Å; Y1869-P2090 HydrophobicContact CD1-CG 3.62Å; Y1869-P2090 HydrophobicContact CD2-CB 4.22Å; Y1869-P2090 HydrophobicContact CD2-CG 3.02Å; Y1869-P2090 HydrophobicContact CE2-CG 4.07Å; Y1869-P2090 HydrophobicContact CG-CB 3.16Å; Y1869-P2090 HydrophobicContact CG-CG 2.67Å; Y1869-P2090 WeakPolarHBondContact O-CA 3.19Å
1870	H	27.8	Very low	28.7	Very low	142 Å²	142	124 Å²	124	66%	0.657	67%	0.671	S	S	*	*				-130	128.5	74.2	-127.8	-67.2	0	0	0	116.5	P2090 H2091	H1870-P2090 PolarHBondContact CE1-O 3.06Å; H1870-P2090 PolarHBondContact ND1-O 3.45Å; H1870-H2091 AromaticContact NE2-CD2 3.72Å
1871	D	27.2	Very low	29	Very low	88 Å²	88	123.1 Å²	123.1	47%	0.471	67%	0.667	S	S	.	*			trans	-89.3	164.7	177.6	-59.6	-26.4	0	0	0	110.8	Y1869 P2090	Y1869-D1871 WeakPolarHBondContact CD1-OD2 3.16Å; D1871-P2090 HydrophobicContact CB-CB 4.28Å; D1871-P2090 VanDerWaalsContact CG-CB 3.44Å; D1871-P2090 WeakPolarHBondContact OD1-CB 3.47Å
1872	Q	30	Very low	29.1	Very low	176 Å²	176	120.9 Å²	120.9	82%	0.822	65%	0.645	S	S	*	*			trans	-138	117.1	139.4	-73.7	-163.6	-4.2	0	0	111
1873	L	29.6	Very low	29.2	Very low	146 Å²	146	118 Å²	118	76%	0.764	62%	0.624	S	S	*	*			trans	64	144.6	132.8	-51.2	173.1	0	0	0	118.3
1874	V	30.5	Very low	29.6	Very low	122 Å²	122	113.8 Å²	113.8	74%	0.739	60%	0.596	S	S	*	*			cis	-169.2	152	0.3	120.7	0	0	0	0	106
1875	D	29.4	Very low	29.8	Very low	134 Å²	134	116.4 Å²	116.4	72%	0.717	60%	0.598	S	S	*	*			cis	-162.8	-161.7	-21.7	-153.6	-85.1	0	0	0	107.3
1876	G	32	Very low	29.9	Very low	57 Å²	57	112.9 Å²	112.9	59%	0.588	59%	0.589	S	S	*	*			trans	90.3	122	178.3	0	0	0	0	0	112.5
1877	N	27.9	Very low	29.9	Very low	139 Å²	139	115.5 Å²	115.5	74%	0.743	61%	0.605	S	S	*	*			cis	58.6	130.6	27.5	-58	-44	0	0	0	112.6
1878	I	32.7	Very low	29.9	Very low	163 Å²	163	117.3 Å²	117.3	84%	0.836	63%	0.627	S	S	*	*			cis	-134.1	142.3	34.2	-74.8	171.4	0	0	0	115.2
1879	S	31.1	Very low	30	Very low	84 Å²	84	113.7 Å²	113.7	59%	0.587	63%	0.627	S	S	*	*			trans	-33	126.9	156.5	-79.3	0	0	0	0	117
1880	S	30.6	Very low	30.1	Very low	73 Å²	73	115 Å²	115	51%	0.51	64%	0.644	S	S	.	*				61.8	104.2	79.9	80.5	0	0	0	0	117.3
1881	Q	31.8	Very low	30.2	Very low	160 Å²	160	113.5 Å²	113.5	75%	0.748	65%	0.65	S	S	*	*			trans	-167.2	115.9	130.9	-102.3	171.7	8.1	0	0	107.6
1882	L	31.4	Very low	30.4	Very low	71 Å²	71	114.3 Å²	114.3	37%	0.372	66%	0.663	S	S	.	*				81.5	129.3	58.3	-68.7	166.6	0	0	0	112.9	N2059 H2098	L1882-N2059 WeakPolarHBondContact CA-OD1 3.2Å; L1882-N2059 PolarHBondContact N-OD1 2.9Å; L1882-N2059 PolarHBondContact O-N 3.38Å; L1882-N2059 VanDerWaalsContact O-N 3.08Å; L1882-H2098 WeakPolarHBondContact CD1-CD2 3.18Å; L1882-H2098 WeakPolarHBondContact CD1-NE2 3.07Å
1883	D	29.8	Very low	30.5	Very low	87 Å²	87	112.2 Å²	112.2	47%	0.465	65%	0.653	S	S	.	*			cis	-147.1	-147.5	-11.7	-153.8	-17.1	0	0	0	109.3	S2058 N2059	D1883-S2058 WeakPolarHBondContact O-CB 3.42Å; D1883-N2059 VanDerWaalsContact C-CG 3.41Å; D1883-N2059 VanDerWaalsContact CA-CG 3.42Å; D1883-N2059 WeakPolarHBondContact CA-ND2 3.27Å; D1883-N2059 WeakPolarHBondContact CA-OD1 3.37Å; D1883-N2059 PolarHBondContact N-OD1 3.44Å; D1883-N2059 WeakPolarHBondContact O-CB 3.49Å; D1883-N2059 PolarHBondContact O-N 2.83Å; D1883-N2059 PolarHBondContact O-ND2 3.09Å
1884	S	33.5	Very low	30.6	Very low	35 Å²	35	108.7 Å²	108.7	25%	0.245	64%	0.637	C	S	.	*			trans	46.6	133.3	142.5	-56.2	0	0	0	0	123.2	M2057 S2058	S1884-M2057 WeakPolarHBondContact CB-SD 3.16Å; S1884-M2057 PolarHBondContact OG-SD 3.45Å; S1884-S2058 WeakPolarHBondContact O-CB 3.36Å; S1884-S2058 PolarHBondContact O-OG 2.68Å
1885	E	32.6	Very low	30.7	Very low	144 Å²	144	105 Å²	105	67%	0.673	62%	0.617	S	S	*	*			cis	-167.8	151.2	3.1	-117.2	-170.3	140	0	0	113.1
1886	Q	30.8	Very low	31	Very low	136 Å²	136	102.6 Å²	102.6	64%	0.636	61%	0.61	S	S	*	*			trans	75.4	126	139.5	-77.7	-169.8	43.9	0	0	124.4
1887	L	28.8	Very low	31	Very low	147 Å²	147	103 Å²	103	77%	0.77	62%	0.615	S	S	*	*			trans	72.7	146.5	141.1	-60	168.1	0	0	0	119.8
1888	S	26.8	Very low	31.2	Very low	94 Å²	94	103 Å²	103	66%	0.657	61%	0.614	S	S	*	*			cis	-173.2	138.2	-20.6	52.4	0	0	0	0	113.5
1889	A	28.3	Very low	31.3	Very low	96 Å²	96	97.6 Å²	97.6	79%	0.793	60%	0.599	S	S	*	*			trans	62.7	170.9	161	0	0	0	0	0	116.7
1890	T	29.9	Very low	31.3	Very low	120 Å²	120	98.2 Å²	98.2	74%	0.736	60%	0.604	S	S	*	*			cis	-149.1	154.7	9	43.5	0	0	0	0	111.7
1891	S	30.1	Very low	31.1	Very low	111 Å²	111	102.9 Å²	102.9	78%	0.776	62%	0.619	S	S	*	*			trans	62.7	170.5	157.1	44.3	0	0	0	0	119.4
1892	S	30	Very low	30.7	Very low	106 Å²	106	101.2 Å²	101.2	74%	0.741	62%	0.62	S	S	*	*			cis	179.8	164.7	-31.1	60.5	0	0	0	0	109.7
1893	Q	32.5	Very low	31.1	Very low	131 Å²	131	103.3 Å²	103.3	61%	0.612	64%	0.641	S	S	*	*			cis	176.2	167.7	-27.8	-168.1	173.7	-13	0	0	108.9	C1910 C1912	Q1893-C1910 VanDerWaalsContact CG-O 3.23Å; Q1893-C1910 WeakPolarHBondContact CG-O 3.48Å; Q1893-C1910 PolarHBondContact NE2-O 3.44Å; Q1893-C1912 CarbonylContact C-O 3.21Å; Q1893-C1912 VanDerWaalsContact C-O 3.27Å
1894	V	31.7	Very low	31.1	Very low	72 Å²	72	103.6 Å²	103.6	44%	0.436	65%	0.65	S	S	.	*			trans	70.2	141.5	169.3	179.1	0	0	0	0	115.6	C1910 C1912 T1913	V1894-C1910 HydrophobicContact CG2-CB 4.49Å; V1894-C1912 CarbonylContact C-O 3.21Å; V1894-C1912 PolarHBondContact N-O 2.88Å; V1894-C1912 VanDerWaalsContact N-O 3.13Å; V1894-C1912 CarbonylContact O-C 3.01Å; V1894-C1912 VanDerWaalsContact O-C 3.23Å; V1894-T1913 WeakPolarHBondContact O-CB 3.34Å; V1894-T1913 VanDerWaalsContact O-CG2 3.32Å; V1894-T1913 WeakPolarHBondContact O-CG2 3.47Å; V1894-T1913 PolarHBondContact O-N 2.9Å; V1894-T1913 PolarHBondContact O-OG1 3.05Å
1895	S	33.3	Very low	31.1	Very low	45 Å²	45	109.5 Å²	109.5	32%	0.315	68%	0.679	S	S	.	*			cis	-159.7	165.9	-15.5	-106.1	0	0	0	0	108.6	N1911 C1912	S1895-N1911 WeakPolarHBondContact OG-CB 3.29Å; S1895-C1912 VanDerWaalsContact CA-CB 3.5Å; S1895-C1912 WeakPolarHBondContact O-CB 3.31Å
1896	S	34.8	Very low	31.4	Very low	83 Å²	83	107.6 Å²	107.6	58%	0.58	69%	0.687	S	S	*	*			cis	-178	151.1	-12.9	50	0	0	0	0	111.7	N1911	S1896-N1911 WeakPolarHBondContact CB-ND2 3.49Å
1897	G	33.6	Very low	31.5	Very low	67 Å²	67	104.9 Å²	104.9	69%	0.691	70%	0.696	S	S	*	*			trans	120.8	115.1	150.9	0	0	0	0	0	118.9
1898	L	31.4	Very low	32.3	Very low	137 Å²	137	103.9 Å²	103.9	72%	0.717	70%	0.701	S	S	*	*			trans	60	143.6	179.1	-67.1	167.7	0	0	0	115.6	N1919	L1898-N1919 VanDerWaalsContact C-OD1 3.26Å; L1898-N1919 WeakPolarHBondContact CB-OD1 3.29Å; L1898-N1919 PolarHBondContact O-OD1 3.17Å
1899	G	33.9	Very low	32.7	Very low	50 Å²	50	102.4 Å²	102.4	52%	0.515	70%	0.701	S	S	.	*	S	Bend	cis	-101.9	168.6	1.1	0	0	0	0	0	116	N1919	G1899-N1919 PolarHBondContact N-OD1 3.4Å
1900	S	31.5	Very low	32.9	Very low	98 Å²	98	101 Å²	101	69%	0.685	68%	0.684	S	S	*	*			trans	-49.4	148.6	176.2	-77.8	0	0	0	0	115.8
1901	M	25.7	Very low	33.1	Very low	170 Å²	170	100.3 Å²	100.3	84%	0.837	68%	0.676	S	S	*	*			cis	49.6	108.3	7.5	-66.5	-163.1	179.7	0	0	115.5
1902	T	25.1	Very low	33.2	Very low	125 Å²	125	98.3 Å²	98.3	77%	0.767	66%	0.662	S	S	*	*			cis	-159.3	160.4	47.1	47.9	0	0	0	0	112.7
1903	S	38.4	Very low	33.4	Very low	115 Å²	115	98.5 Å²	98.5	80%	0.804	66%	0.659	S	S	*	*	S	Bend	trans	177	126.1	134.2	34.5	0	0	0	0	112.1
1904	S	31	Very low	33.4	Very low	94 Å²	94	95.1 Å²	95.1	66%	0.657	66%	0.658	S	S	*	*	S	Bend	cis	-153.5	104	-12.3	-69.5	0	0	0	0	111
1905	N	32.7	Very low	33.6	Very low	159 Å²	159	99.1 Å²	99.1	85%	0.85	68%	0.683	S	S	*	*				160.3	155.5	106.3	-83.9	-29.4	0	0	0	116.3
1906	A	39.5	Very low	33.6	Very low	103 Å²	103	100.8 Å²	100.8	85%	0.851	71%	0.707	S	S	*	*			trans	66.2	69.6	158.7	0	0	0	0	0	118.6
1907	G	33.3	Very low	33.6	Very low	80 Å²	80	104.3 Å²	104.3	83%	0.825	72%	0.719	S	S	*	*			trans	-90.5	-157.1	179	0	0	0	0	0	118.7
1908	S	44.4	Very low	33.6	Very low	125 Å²	125	106.2 Å²	106.2	87%	0.874	71%	0.713	S	S	*	*			trans	-161.7	143.9	161.3	58.6	0	0	0	0	108.6
1909	G	35.5	Very low	33.7	Very low	63 Å²	63	103 Å²	103	65%	0.649	70%	0.697	S	S	*	*			trans	-87.6	176.2	-165.2	0	0	0	0	0	117.9
1910	C	33.3	Very low	33.7	Very low	67 Å²	67	105.7 Å²	105.7	45%	0.453	70%	0.703	S	S	.	*			trans	84.8	102	153.2	-61	0	0	0	0	118.6	Q1893 V1894	Q1893-C1910 VanDerWaalsContact CG-O 3.23Å; Q1893-C1910 WeakPolarHBondContact CG-O 3.48Å; Q1893-C1910 PolarHBondContact NE2-O 3.44Å; V1894-C1910 HydrophobicContact CG2-CB 4.49Å
1911	N	32.9	Very low	33.7	Very low	105 Å²	105	107.1 Å²	107.1	56%	0.561	70%	0.704	S	S	*	*			cis	-172.4	-48.5	-28.4	-99.8	-12.6	0	0	0	116.3	S1895 S1896	S1895-N1911 WeakPolarHBondContact OG-CB 3.29Å; S1896-N1911 WeakPolarHBondContact CB-ND2 3.49Å
1912	C	32.7	Very low	33.9	Very low	70 Å²	70	105.2 Å²	105.2	47%	0.473	70%	0.695	S	S	.	*			trans	-146.2	-157.6	-167.1	-148.5	0	0	0	0	112.9	Q1893 V1894 S1895	Q1893-C1912 CarbonylContact C-O 3.21Å; Q1893-C1912 VanDerWaalsContact C-O 3.27Å; V1894-C1912 CarbonylContact C-O 3.21Å; V1894-C1912 PolarHBondContact N-O 2.88Å; V1894-C1912 VanDerWaalsContact N-O 3.13Å; V1894-C1912 CarbonylContact O-C 3.01Å; V1894-C1912 VanDerWaalsContact O-C 3.23Å; S1895-C1912 VanDerWaalsContact CA-CB 3.5Å; S1895-C1912 WeakPolarHBondContact O-CB 3.31Å
1913	T	33.9	Very low	34	Very low	110 Å²	110	107 Å²	107	68%	0.675	70%	0.701	S	S	*	*			cis	-141.4	173.2	43	0.3	0	0	0	0	115.4	V1894	V1894-T1913 WeakPolarHBondContact O-CB 3.34Å; V1894-T1913 VanDerWaalsContact O-CG2 3.32Å; V1894-T1913 WeakPolarHBondContact O-CG2 3.47Å; V1894-T1913 PolarHBondContact O-N 2.9Å; V1894-T1913 PolarHBondContact O-OG1 3.05Å
1914	G	33	Very low	33.7	Very low	59 Å²	59	107.1 Å²	107.1	61%	0.608	70%	0.696	S	S	*	*	S	Bend	trans	114.1	89.5	154.5	0	0	0	0	0	118.5
1915	T	34.7	Very low	33.6	Very low	156 Å²	156	109 Å²	109	96%	0.957	70%	0.698	S	S	*	*			trans	37.4	97.2	159.2	53.9	0	0	0	0	119.6
1916	G	33.6	Very low	33.6	Very low	80 Å²	80	108.7 Å²	108.7	83%	0.825	70%	0.696	S	S	*	*			trans	-179.1	109.7	164.1	0	0	0	0	0	110.3
1917	L	34.5	Very low	33.2	Very low	157 Å²	157	110.2 Å²	110.2	82%	0.822	69%	0.69	S	S	*	*			trans	-101	152.9	-159.9	-81.1	168.7	0	0	0	115.9
1918	N	35.4	Very low	33.1	Very low	107 Å²	107	112.4 Å²	112.4	57%	0.572	69%	0.687	S	S	*	*			trans	78.6	81.4	155.7	-63.2	-10.6	0	0	0	120.7
1919	N	32	Very low	32.4	Very low	70 Å²	70	112 Å²	112	37%	0.374	68%	0.684	S	S	.	*				46.9	141.6	95.9	-81.5	-38.5	0	0	0	123.6	L1898 G1899	L1898-N1919 VanDerWaalsContact C-OD1 3.26Å; L1898-N1919 WeakPolarHBondContact CB-OD1 3.29Å; L1898-N1919 PolarHBondContact O-OD1 3.17Å; G1899-N1919 PolarHBondContact N-OD1 3.4Å
1920	T	35.3	Very low	32.2	Very low	106 Å²	106	112.7 Å²	112.7	65%	0.65	69%	0.691	S	S	*	*			trans	67.4	156.3	136.4	56.1	0	0	0	0	122
1921	N	30.2	Very low	32.1	Very low	129 Å²	129	117 Å²	117	69%	0.69	71%	0.71	S	S	*	*			cis	-165.7	172	-43.6	-148	3.9	0	0	0	109.6
1922	I	29.4	Very low	32	Very low	129 Å²	129	117.6 Å²	117.6	66%	0.662	72%	0.717	S	S	*	*			trans	-69.3	139.9	159.5	-65.1	167.6	0	0	0	109.8	V1924	I1922-V1924 HydrophobicContact CG2-CB 4.4Å; I1922-V1924 HydrophobicContact CG2-CG2 3.71Å
1923	N	28.7	Very low	31.9	Very low	164 Å²	164	119.2 Å²	119.2	88%	0.877	73%	0.729	S	S	*	*			trans	-117.2	141	149.6	-107.2	10.5	0	0	0	108.5
1924	V	31.3	Very low	31.7	Very low	117 Å²	117	118.7 Å²	118.7	71%	0.709	73%	0.73	S	S	*	*			trans	-141.7	147.2	177.5	156	0	0	0	0	106.7	I1922	I1922-V1924 HydrophobicContact CG2-CB 4.4Å; I1922-V1924 HydrophobicContact CG2-CG2 3.71Å
1925	L	30.2	Very low	31.6	Very low	134 Å²	134	122.9 Å²	122.9	70%	0.702	74%	0.738	S	S	*	*			trans	76.5	141.7	-165.6	-56.8	151.6	0	0	0	112.3
1926	D	32.6	Very low	31.5	Very low	151 Å²	151	122.9 Å²	122.9	81%	0.807	73%	0.731	S	S	*	*			cis	-111.9	168.5	10	-84.6	-58.8	0	0	0	115.7
1927	N	29.9	Very low	31.3	Very low	135 Å²	135	125 Å²	125	72%	0.722	73%	0.732	S	S	*	*			trans	-99.7	177.5	178.1	-56.4	-84.7	0	0	0	109.6
1928	V	30.7	Very low	31.2	Very low	126 Å²	126	123.6 Å²	123.6	76%	0.764	73%	0.729	S	S	*	*			cis	-153.2	151	24.7	-170.2	0	0	0	0	110.4
1929	S	30.4	Very low	31	Very low	117 Å²	117	125.4 Å²	125.4	82%	0.818	74%	0.739	S	S	*	*			trans	56.9	127.1	158.7	55.1	0	0	0	0	120.6
1930	G	31.9	Very low	30.8	Very low	77 Å²	77	125.3 Å²	125.3	79%	0.794	74%	0.741	S	S	*	*			trans	-170.4	-15.7	174.5	0	0	0	0	0	117.6
1931	N	30	Very low	30.5	Very low	157 Å²	157	127 Å²	127	84%	0.84	75%	0.746	S	S	*	*			trans	46.1	121.4	157.7	-99.3	16.1	0	0	0	122.4
1932	V	31.7	Very low	31.1	Very low	118 Å²	118	125.7 Å²	125.7	72%	0.715	74%	0.744	S	S	*	*			trans	111.1	105.8	137.9	174.8	0	0	0	0	119.4
1933	S	30.1	Very low	31.3	Very low	104 Å²	104	130.4 Å²	130.4	73%	0.727	75%	0.753	S	S	*	*			trans	57.5	145.8	149.5	66.1	0	0	0	0	121.9
1934	S	31	Very low	31.5	Very low	100 Å²	100	129.5 Å²	129.5	70%	0.699	75%	0.748	S	S	*	*			cis	-171.7	149.3	-18.9	51.4	0	0	0	0	112.4
1935	N	30.3	Very low	31.5	Very low	146 Å²	146	129.6 Å²	129.6	78%	0.781	75%	0.749	S	S	*	*			trans	75.6	136.7	147.3	-79.3	-3.3	0	0	0	123.1
1936	I	31.8	Very low	31.5	Very low	156 Å²	156	132 Å²	132	80%	0.8	76%	0.756	S	S	*	*			trans	83.9	140.1	154.8	-64.7	157.3	0	0	0	116.9
1937	C	30.8	Very low	31.4	Very low	125 Å²	125	128.2 Å²	128.2	85%	0.845	75%	0.753	S	S	*	*			trans	-120.1	160.5	-162.4	-59.6	0	0	0	0	113.1
1938	V	30.5	Very low	31.6	Very low	127 Å²	127	128.8 Å²	128.8	77%	0.77	76%	0.756	S	S	*	*			trans	-144.4	145.8	-168.2	172.2	0	0	0	0	105
1939	N	31.2	Very low	31.5	Very low	146 Å²	146	129 Å²	129	78%	0.781	75%	0.753	S	S	*	*				-177.9	-179.1	71.6	-148.1	-17.1	0	0	0	113.2
1940	T	29.5	Very low	31.5	Very low	68 Å²	68	128.4 Å²	128.4	42%	0.417	75%	0.749	S	S	.	*			trans	-142.3	151.9	-167.5	32.1	0	0	0	0	115.8
1941	L	27.9	Very low	31.5	Very low	142 Å²	142	129.2 Å²	129.2	74%	0.743	74%	0.742	S	S	*	*			trans	68.7	176.5	146.1	-70.5	168.8	0	0	0	119.4
1942	P	42.7	Very low	31.5	Very low	101 Å²	101	128 Å²	128	66%	0.656	74%	0.736	S	S	*	*			cis	-142.9	-168.2	-40.2	37.4	-18.3	0	0	0	116.9
1943	R	33.2	Very low	31.5	Very low	227 Å²	227	129.7 Å²	129.7	86%	0.857	74%	0.74	S	S	*	*			trans	89.9	155.7	158.1	-70.6	177.1	-178.3	-136.1	-0.4	118.6
1944	L	33.3	Very low	31.6	Very low	145 Å²	145	130.1 Å²	130.1	76%	0.759	74%	0.739	S	S	*	*			cis	-133.4	-167.9	22.3	-126.2	175.1	0	0	0	114.7
1945	V	31.6	Very low	31.6	Very low	120 Å²	120	131.3 Å²	131.3	73%	0.727	74%	0.737	S	S	*	*			trans	-146.2	176.5	-157.7	-174.3	0	0	0	0	113.1
1946	E	30.8	Very low	31.6	Very low	183 Å²	183	129.9 Å²	129.9	86%	0.855	73%	0.729	S	S	*	*			trans	107.1	144.4	159.1	-60.9	173.6	-165.6	0	0	117
1947	G	30.7	Very low	31.5	Very low	72 Å²	72	132.6 Å²	132.6	74%	0.742	73%	0.731	S	S	*	*			cis	-98.8	-133.8	-4.4	0	0	0	0	0	114.1
1948	D	33.5	Very low	32	Very low	148 Å²	148	130.9 Å²	130.9	79%	0.791	72%	0.718	S	S	*	*			cis	-156.2	-152.1	-4.7	-154.1	77.9	0	0	0	112.4
1949	N	29.6	Very low	32	Very low	130 Å²	130	131.2 Å²	131.2	70%	0.695	72%	0.716	S	S	*	*			trans	-117.6	142.2	-146.8	-65.9	-76.2	0	0	0	120.8
1950	S	28.9	Very low	31.9	Very low	105 Å²	105	130.7 Å²	130.7	73%	0.734	71%	0.713	S	S	*	*			trans	-24.3	163.4	158.9	68.3	0	0	0	0	121
1951	S	32.6	Very low	32	Very low	93 Å²	93	131.8 Å²	131.8	65%	0.65	72%	0.724	S	S	*	*				-176.2	167.1	52	52.8	0	0	0	0	117.2
1952	N	30.5	Very low	32.1	Very low	133 Å²	133	133.7 Å²	133.7	71%	0.711	73%	0.729	S	S	*	*			trans	90.4	112.5	148.5	-71.3	-21.3	0	0	0	123.9
1953	L	31.1	Very low	31.4	Very low	152 Å²	152	133.5 Å²	133.5	80%	0.796	73%	0.725	S	S	*	*			trans	74.7	139	136.6	-60.1	171.3	0	0	0	118.6
1954	T	31.6	Very low	31.2	Very low	114 Å²	114	130.1 Å²	130.1	70%	0.699	72%	0.717	S	S	*	*			cis	-147.9	150.7	11.9	19	0	0	0	0	113.5
1955	N	30.9	Very low	31	Very low	124 Å²	124	126.2 Å²	126.2	66%	0.663	70%	0.697	S	S	*	*			trans	78.3	114.3	141	-76.6	48.6	0	0	0	124.4
1956	D	30.5	Very low	31	Very low	117 Å²	117	123.5 Å²	123.5	63%	0.626	68%	0.676	S	S	*	*				105.4	86.9	123.5	-58.3	-16.8	0	0	0	123.6
1957	Y	30.1	Very low	31	Very low	212 Å²	212	117.6 Å²	117.6	83%	0.831	65%	0.65	S	S	*	*				56.9	147.2	125.8	-77.6	-92.3	0	0	0	122
1958	P	41	Very low	30.9	Very low	89 Å²	89	119.1 Å²	119.1	58%	0.578	64%	0.642	S	S	*	*			cis	-147.8	-178.1	-42.9	42	-24.4	0	0	0	116
1959	N	30.9	Very low	30.7	Very low	135 Å²	135	116.6 Å²	116.6	72%	0.722	63%	0.628	S	S	*	*			trans	69.1	140.7	151.4	-64.5	-16.5	0	0	0	119.4
1960	N	30	Very low	30.5	Very low	135 Å²	135	116.1 Å²	116.1	72%	0.722	63%	0.626	S	S	*	*			cis	-160.4	159.2	-14.6	-124.2	-11.5	0	0	0	111.5
1961	S	31	Very low	30.4	Very low	91 Å²	91	117.5 Å²	117.5	64%	0.636	62%	0.624	S	S	*	*			trans	35.1	113.6	158.7	58	0	0	0	0	119.5
1962	Q	28.5	Very low	30	Very low	182 Å²	182	117.9 Å²	117.9	85%	0.85	63%	0.626	S	S	*	*				61.5	138.2	70.7	-65.9	-162.8	-31.9	0	0	114.2
1963	V	28.3	Very low	29.7	Very low	96 Å²	96	120.2 Å²	120.2	58%	0.582	63%	0.63	S	S	*	*			cis	-163.4	137	2.6	117.3	0	0	0	0	110.6
1964	F	28.7	Very low	29.3	Very low	157 Å²	157	120.7 Å²	120.7	69%	0.689	63%	0.63	S	S	*	*			trans	63.8	150	147.1	-69.7	-154.5	0	0	0	118.6	Q1634	Q1634-F1964 PolarHBondContact OE1-O 3.07Å
1965	N	29.2	Very low	28.9	Very low	62 Å²	62	126 Å²	126	33%	0.332	64%	0.637	S	S	.	*			cis	-161.6	158.4	1.8	-118.8	9.7	0	0	0	116.2
1966	E	32.1	Very low	28.7	Very low	64 Å²	64	129 Å²	129	30%	0.299	64%	0.639	S	S	.	*			trans	56.3	153.5	139	-64.9	174.3	-168.7	0	0	121.8	N212 H213 F1635	N212-E1966 PolarHBondContact ND2-OE2 2.92Å; H213-E1966 IonicContact CE1-OE2 3.04Å; H213-E1966 IonicContact ND1-OE2 2.78Å; F1635-E1966 WeakPolarHBondContact CB-O 3.03Å
1967	D	31.8	Very low	28.6	Very low	58 Å²	58	133.6 Å²	133.6	31%	0.31	65%	0.654	S	S	.	*			cis	-169.5	144.2	-18.6	-105.6	-6.7	0	0	0	111.8	H213 H214 N215	H213-D1967 HydrophobicContact CB-CB 4.45Å; H213-D1967 IonicContact CE1-OD2 3.4Å; H213-D1967 IonicContact CG-OD2 3.13Å; H213-D1967 IonicContact ND1-OD2 2.79Å; H213-D1967 PolarHBondContact ND1-OD2 3.49Å; H214-D1967 CarbonylContact C-O 3.36Å; H214-D1967 VanDerWaalsContact C-O 3.23Å; H214-D1967 WeakPolarHBondContact CB-O 2.12Å; H214-D1967 VanDerWaalsContact O-O 3.09Å; N215-D1967 WeakPolarHBondContact CA-O 3.44Å; N215-D1967 WeakPolarHBondContact CB-O 2.39Å; N215-D1967 PolarHBondContact ND2-O 3.05Å; N215-D1967 PolarHBondContact OD1-O 2.96Å; N215-D1967 VanDerWaalsContact OD1-O 3.08Å
1968	D	28.5	Very low	28.4	Very low	104 Å²	104	133.5 Å²	133.5	56%	0.556	65%	0.653	S	S	*	*			trans	60.8	110.7	139.4	-96.1	32.2	0	0	0	131.5	N215	N215-D1968 WeakPolarHBondContact CB-O 3.32Å; N215-D1968 WeakPolarHBondContact ND2-CA 3.21Å; N215-D1968 PolarHBondContact ND2-N 2.96Å
1969	N	28.4	Very low	27.7	Very low	96 Å²	96	137.8 Å²	137.8	51%	0.513	66%	0.659	S	S	.	*			trans	97.2	99.4	143.6	-66.2	-56.1	0	0	0	126.4	N215	N215-N1969 PolarHBondContact ND2-N 3.49Å
1970	N	26.7	Very low	27.5	Very low	120 Å²	120	139.4 Å²	139.4	64%	0.642	66%	0.66	S	S	*	*				81.8	138.5	111	-92.1	-50.9	0	0	0	126.9
1971	I	25.9	Very low	27.4	Very low	134 Å²	134	137.3 Å²	137.3	69%	0.687	66%	0.656	S	S	*	*			trans	70.2	126.5	146.9	-66.9	166.1	0	0	0	117.7
1972	S	24.5	Very low	27.2	Very low	100 Å²	100	143.3 Å²	143.3	70%	0.699	67%	0.666	S	S	*	*			cis	-162.7	175.6	10.7	-150.5	0	0	0	0	114.9
1973	K	24.5	Very low	27.2	Very low	183 Å²	183	136.8 Å²	136.8	80%	0.796	65%	0.648	S	S	*	*			trans	77.4	97.6	157.1	-71.4	-179.5	180	177.1	0	122.5
1974	M	21.8	Very low	27.2	Very low	162 Å²	162	142.6 Å²	142.6	80%	0.798	66%	0.661	S	S	*	*				67.4	126.6	116.8	-77.2	-159.8	-170	0	0	123.8
1975	W	23.1	Very low	27.5	Very low	225 Å²	225	140.8 Å²	140.8	85%	0.852	67%	0.666	S	S	*	*			trans	70.7	134.1	154.6	-72	52.9	0	0	0	116.6
1976	R	26.3	Very low	27.5	Very low	187 Å²	187	143.4 Å²	143.4	71%	0.706	69%	0.689	S	S	*	*			cis	-139.4	148.6	14.3	-59.9	177.1	-179.9	175.4	-0.5	112.6	E1143	E1143-R1976 IonicContact OE1-NH2 3.99Å
1977	K	28.6	Very low	28	Very low	213 Å²	213	146 Å²	146	93%	0.926	71%	0.712	S	S	*	*			trans	-154.2	166.8	138.6	-117.4	170.5	-174.9	175	0	111.1
1978	Y	27.1	Very low	27.9	Very low	210 Å²	210	148.3 Å²	148.3	82%	0.824	73%	0.731	S	S	*	*			trans	-92.1	139.5	-161.2	-99.5	-113.8	0	0	0	114.6
1979	Y	25.6	Very low	28	Very low	179 Å²	179	149.7 Å²	149.7	70%	0.702	74%	0.739	S	S	*	*			trans	51.8	120.7	143.3	-95.5	-100.8	0	0	0	122.3
1980	K	26.1	Very low	28.1	Very low	170 Å²	170	152.2 Å²	152.2	74%	0.739	75%	0.752	S	S	*	*			trans	69.7	145.2	159.7	-71.7	179.4	177.9	-174.7	0	115.8
1981	S	28.4	Very low	28.1	Very low	91 Å²	91	155 Å²	155	64%	0.636	76%	0.761	S	S	*	*			cis	-155.9	144	14.9	49.1	0	0	0	0	115.2
1982	Y	27.6	Very low	28.4	Very low	216 Å²	216	154.6 Å²	154.6	85%	0.847	77%	0.767	S	S	*	*			trans	53.5	161.6	151.3	-64.6	-61.6	0	0	0	121.3
1983	G	28	Very low	28.6	Very low	45 Å²	45	158.7 Å²	158.7	46%	0.464	78%	0.775	S	S	.	*			cis	-104.2	-127.2	-12.4	0	0	0	0	0	111.2
1984	Y	28.4	Very low	28.8	Very low	219 Å²	219	156 Å²	156	86%	0.859	77%	0.774	S	S	*	*			cis	-154.7	-177	-12.4	-76	-64.3	0	0	0	105.9
1985	C	34.2	Very low	29	Very low	118 Å²	118	158.4 Å²	158.4	80%	0.797	78%	0.781	S	S	*	*			cis	-145.3	171.2	12.4	-46.5	0	0	0	0	110.9
1986	S	30	Very low	29.2	Very low	118 Å²	118	157 Å²	157	83%	0.825	78%	0.777	S	S	*	*			trans	-158.9	148.6	156.6	-66.7	0	0	0	0	108.9
1987	P	43.1	Very low	29.6	Very low	119 Å²	119	154.2 Å²	154.2	77%	0.773	78%	0.783	S	S	*	*			trans	-139.9	169.1	146.6	43.6	-30.7	0	0	0	111.4
1988	C	29.8	Very low	29.4	Very low	105 Å²	105	152.1 Å²	152.1	71%	0.709	78%	0.776	S	S	*	*			cis	-141	153.2	18.6	-55.1	0	0	0	0	114
1989	N	30.2	Very low	29.6	Very low	134 Å²	134	148.4 Å²	148.4	72%	0.717	78%	0.775	S	S	*	*			trans	73.7	105.5	138.2	-64.9	8.7	0	0	0	124
1990	N	30	Very low	29.8	Very low	148 Å²	148	148.3 Å²	148.3	79%	0.791	78%	0.779	S	S	*	*				94.2	140.5	119.4	-61.4	-0.2	0	0	0	121.4
1991	Q	27.2	Very low	30	Very low	180 Å²	180	146 Å²	146	84%	0.841	77%	0.774	S	S	*	*			trans	-89.8	-178.9	-177.1	-57.5	-179.9	-27.2	0	0	112.4
1992	P	32.9	Very low	30	Very low	125 Å²	125	146.5 Å²	146.5	81%	0.812	78%	0.778	S	S	*	*				-145.7	162.7	90	39.9	-25.3	0	0	0	116.2
1993	E	28.4	Very low	30	Very low	186 Å²	186	145 Å²	145	87%	0.869	78%	0.779	S	S	*	*			trans	-96	168	152.9	-87.8	-164.3	155.6	0	0	111.3
1994	T	27.8	Very low	30.1	Very low	125 Å²	125	148.1 Å²	148.1	77%	0.767	79%	0.789	S	S	*	*			trans	-96.2	139.6	-161.2	53	0	0	0	0	115.4
1995	F	27.4	Very low	30.1	Very low	214 Å²	214	144.7 Å²	144.7	94%	0.939	78%	0.781	S	S	*	*			trans	-148.1	143.7	144.6	-106.7	-78.8	0	0	0	111.3
1996	Y	25.6	Very low	29.8	Very low	195 Å²	195	144.7 Å²	144.7	77%	0.765	78%	0.781	S	S	*	*			trans	-86.4	157.8	176.4	-100.9	-100.7	0	0	0	111.3	E1998	Y1996-E1998 HydrophobicContact CD1-CG 3.85Å; Y1996-E1998 HydrophobicContact CE1-CG 4.2Å
1997	P	34.5	Very low	29.8	Very low	129 Å²	129	149.2 Å²	149.2	84%	0.838	78%	0.781	S	S	*	*				-132.4	159.8	97.1	38.1	-30.1	0	0	0	114.6
1998	E	26	Very low	29	Very low	169 Å²	169	147.5 Å²	147.5	79%	0.79	77%	0.772	S	S	*	*			trans	-90	141.6	-175.1	-51.7	161.4	111.2	0	0	112.9	Y1996	Y1996-E1998 HydrophobicContact CD1-CG 3.85Å; Y1996-E1998 HydrophobicContact CE1-CG 4.2Å
1999	V	30.7	Very low	29	Very low	132 Å²	132	150.1 Å²	150.1	80%	0.8	78%	0.779	S	S	*	*			trans	-147.3	118.8	153.2	178.5	0	0	0	0	110.3
2000	F	30.4	Very low	29	Very low	177 Å²	177	149.9 Å²	149.9	78%	0.776	78%	0.783	S	S	*	*			trans	51.7	112.3	166.5	-69.8	-60.3	0	0	0	121.9
2001	N	28.5	Very low	29.2	Very low	120 Å²	120	148.5 Å²	148.5	64%	0.642	78%	0.782	S	S	*	*				32	149.1	110.7	-57.6	6.5	0	0	0	120.7
2002	S	29.5	Very low	29.1	Very low	103 Å²	103	143.4 Å²	143.4	72%	0.72	77%	0.77	S	S	*	*			cis	-177.5	150.6	-21.3	52.4	0	0	0	0	108.1
2003	E	27.5	Very low	28.8	Very low	184 Å²	184	143.6 Å²	143.6	86%	0.86	77%	0.769	S	S	*	*			trans	-65.1	152.1	179.7	-52.7	175.7	137.2	0	0	114
2004	T	29.7	Very low	29.1	Very low	110 Å²	110	140.2 Å²	140.2	68%	0.675	76%	0.761	S	S	*	*			trans	-171.8	140.1	131.2	13.3	0	0	0	0	114.5
2005	E	28	Very low	29	Very low	148 Å²	148	141.3 Å²	141.3	69%	0.692	76%	0.761	S	S	*	*			trans	41.3	112.6	139.7	-61.9	160.3	-148.9	0	0	120.7	K898	K898-E2005 IonicContact NZ-OE1 3.74Å
2006	C	29	Very low	29.5	Very low	118 Å²	118	138.4 Å²	138.4	80%	0.797	76%	0.755	S	S	*	*				-177.2	126.8	106.8	-93.6	0	0	0	0	117.1
2007	Y	29.9	Very low	29.8	Very low	213 Å²	213	132.2 Å²	132.2	84%	0.835	75%	0.751	S	S	*	*			trans	21.6	113.5	139.5	-73.7	-88.1	0	0	0	122.8
2008	S	26.8	Very low	30.2	Very low	83 Å²	83	134.6 Å²	134.6	58%	0.58	76%	0.755	S	S	*	*				27.5	115.2	126.4	64.2	0	0	0	0	120.5
2009	N	28.4	Very low	30.2	Very low	160 Å²	160	131.3 Å²	131.3	86%	0.856	75%	0.751	S	S	*	*				178.5	161.4	98.7	-90.1	-34	0	0	0	112.6
2010	T	29.9	Very low	30.3	Very low	129 Å²	129	129.8 Å²	129.8	79%	0.791	75%	0.746	S	S	*	*			trans	-87.8	170.6	163.4	55.3	0	0	0	0	109.9
2011	P	35.9	Very low	30.3	Very low	119 Å²	119	128.1 Å²	128.1	77%	0.773	75%	0.751	S	S	*	*			cis	-131	-164.1	0.8	37.9	-18.1	0	0	0	113.9
2012	A	25.3	Very low	30.3	Very low	73 Å²	73	125.2 Å²	125.2	60%	0.603	74%	0.743	S	S	*	*			trans	85.8	114.7	140.8	0	0	0	0	0	121.8
2013	T	25.6	Very low	30.3	Very low	129 Å²	129	125.8 Å²	125.8	79%	0.791	75%	0.747	S	S	*	*				74	168.4	130	60.5	0	0	0	0	120.7
2014	V	34.6	Very low	31.2	Very low	114 Å²	114	123 Å²	123	69%	0.691	75%	0.745	S	S	*	*			trans	68.1	89.5	170.9	-167.6	0	0	0	0	113.3
2015	I	26.4	Very low	31.3	Very low	148 Å²	148	123 Å²	123	76%	0.759	74%	0.744	S	S	*	*				60.2	94.7	69	-50.9	164.6	0	0	0	112.2
2016	N	36.3	Very low	31.7	Very low	154 Å²	154	121.4 Å²	121.4	82%	0.824	75%	0.747	S	S	*	*			trans	-171	142.6	133.5	-87.2	-38.3	0	0	0	105.2
2017	G	33.5	Very low	32	Very low	65 Å²	65	121.3 Å²	121.3	67%	0.67	75%	0.745	S	S	*	*				88.5	114.7	53	0	0	0	0	0	106.6
2018	L	41.3	Very low	32	Very low	178 Å²	178	115.9 Å²	115.9	93%	0.932	74%	0.738	S	S	*	*			cis	-130.9	137	35.7	-71.5	155.3	0	0	0	114
2019	S	28	Very low	32.3	Very low	100 Å²	100	119.3 Å²	119.3	70%	0.699	75%	0.749	S	S	*	*			trans	-73.2	131.2	156.7	51.9	0	0	0	0	110.5
2020	S	32	Very low	32.2	Very low	101 Å²	101	115.6 Å²	115.6	71%	0.706	74%	0.735	S	S	*	*			trans	13.5	109.2	147.9	58	0	0	0	0	118.8
2021	T	30.8	Very low	32.1	Very low	142 Å²	142	115.6 Å²	115.6	87%	0.871	74%	0.735	S	S	*	*			trans	-104.5	102.6	143.3	52.5	0	0	0	0	106.5
2022	A	27.6	Very low	31.8	Very low	58 Å²	58	120.3 Å²	120.3	48%	0.479	74%	0.739	S	S	.	*			cis	68.4	108.6	41.7	0	0	0	0	0	113.6
2023	S	29.8	Very low	32	Very low	116 Å²	116	123 Å²	123	81%	0.811	74%	0.739	S	S	*	*	S	Bend	trans	-145.2	125.3	131.1	-75.6	0	0	0	0	106.4
2024	P	45.7	Very low	32.2	Very low	124 Å²	124	125.9 Å²	125.9	81%	0.805	74%	0.737	S	S	*	*	S	Bend	cis	-108	150.8	6.1	38.1	-30	0	0	0	115.1
2025	V	32.6	Very low	32	Very low	110 Å²	110	126.4 Å²	126.4	67%	0.667	73%	0.731	S	S	*	*			cis	-145	-56.5	-36.1	-157.6	0	0	0	0	111.7
2026	P	37.1	Very low	32.1	Very low	115 Å²	115	126.8 Å²	126.8	75%	0.747	73%	0.729	S	S	*	*			trans	-121	174.5	-152.2	33.5	-13.5	0	0	0	115.9
2027	P	34.4	Very low	31.7	Very low	117 Å²	117	126.8 Å²	126.8	76%	0.76	73%	0.73	S	S	*	*			trans	-135.8	-166.6	-151.3	43.4	-26.7	0	0	0	116.7
2028	S	30.1	Very low	32.1	Very low	98 Å²	98	128.5 Å²	128.5	69%	0.685	73%	0.729	S	S	*	*				144.1	145.6	124.7	68	0	0	0	0	118.4
2029	I	33	Very low	31.5	Very low	156 Å²	156	127.9 Å²	127.9	80%	0.8	72%	0.721	S	S	*	*			trans	61.1	145.9	147.8	-65.7	157.5	0	0	0	120
2030	S	27	Very low	31.6	Very low	82 Å²	82	129.8 Å²	129.8	57%	0.573	72%	0.722	S	S	*	*				162.3	110	-51.5	61	0	0	0	0	110.9
2031	T	27.8	Very low	31.4	Very low	129 Å²	129	132 Å²	132	79%	0.791	72%	0.721	S	S	*	*			trans	33.7	123	147.4	54.6	0	0	0	0	122.9
2032	Y	28.8	Very low	31.3	Very low	218 Å²	218	131.8 Å²	131.8	86%	0.855	71%	0.71	S	S	*	*			trans	-169.8	157.8	158.3	-94.9	-46.9	0	0	0	110.4
2033	H	30.4	Very low	31.2	Very low	128 Å²	128	136 Å²	136	59%	0.593	72%	0.72	S	S	*	*			cis	-163	110.5	-11.6	-161.4	-39.4	0	0	0	112.1
2034	Y	29.8	Very low	31.1	Very low	191 Å²	191	136.4 Å²	136.4	75%	0.749	71%	0.709	S	S	*	*			trans	65.5	171.4	155.1	-77	-153.3	0	0	0	119
2035	H	29.3	Very low	30.1	Very low	125 Å²	125	137 Å²	137	58%	0.579	70%	0.701	S	S	*	*			cis	-157.1	170.6	-23.1	-124.1	-134.4	0	0	0	110.8
2036	H	29.3	Very low	29.8	Very low	155 Å²	155	138.2 Å²	138.2	72%	0.718	70%	0.699	S	S	*	*			trans	53.4	120.6	152.2	-70.7	-43.6	0	0	0	124.6
2037	N	28	Very low	29.3	Very low	155 Å²	155	142.1 Å²	142.1	83%	0.829	70%	0.699	S	S	*	*				51.7	158.1	117.7	-93.3	6.7	0	0	0	124.2
2038	P	41.6	Very low	29.1	Very low	100 Å²	100	143.5 Å²	143.5	65%	0.649	70%	0.695	S	S	*	*			trans	-106.1	157.5	-164.2	40.5	-34.9	0	0	0	115.8
2039	H	28.9	Very low	29.1	Very low	165 Å²	165	143.7 Å²	143.7	76%	0.764	70%	0.696	S	S	*	*			trans	156.4	135.4	133.1	-104.5	-84.8	0	0	0	112.4
2040	L	29.3	Very low	29.2	Very low	140 Å²	140	144.1 Å²	144.1	73%	0.733	70%	0.695	S	S	*	*			trans	64.5	127.2	144.3	-71.7	161.6	0	0	0	122.9
2041	H	28.1	Very low	29.4	Very low	147 Å²	147	147.2 Å²	147.2	68%	0.681	70%	0.7	S	S	*	*			trans	78.3	115.8	139.4	-96.2	-54.6	0	0	0	122.3
2042	H	27.9	Very low	29.5	Very low	139 Å²	139	147.2 Å²	147.2	64%	0.644	70%	0.695	S	S	*	*				69.2	103.4	129.8	-93.4	-21.5	0	0	0	120.9
2043	Q	26.5	Very low	29.7	Very low	147 Å²	147	143.1 Å²	143.1	69%	0.687	69%	0.688	S	S	*	*				89.1	157.4	110.8	-112.8	-178.1	-2.8	0	0	119.6
2044	H	26.7	Very low	29.5	Very low	124 Å²	124	143 Å²	143	57%	0.574	69%	0.691	S	S	*	*			trans	61.1	82.8	163.3	-80.6	-87.2	0	0	0	119.4
2045	Q	25.8	Very low	29.6	Very low	136 Å²	136	141.3 Å²	141.3	64%	0.636	69%	0.694	S	S	*	*				90.3	133.6	101.4	-93.5	-171.9	-19.3	0	0	120.8
2046	Q	25.8	Very low	29.6	Very low	135 Å²	135	140.2 Å²	140.2	63%	0.631	70%	0.696	S	S	*	*			trans	75.3	159.9	138.6	-72.3	178	11	0	0	118.9
2047	R	26.5	Very low	29.7	Very low	197 Å²	197	138.8 Å²	138.8	74%	0.743	69%	0.691	S	S	*	*			trans	83.5	127.2	166.2	-51.3	-165.1	-176.9	-141.2	-2.4	113.9
2048	Q	30	Very low	29.9	Very low	146 Å²	146	134.5 Å²	134.5	68%	0.682	67%	0.674	S	S	*	*			cis	-161.1	140.7	-1.7	-130	161.5	-32.2	0	0	113.1
2049	S	31.2	Very low	29.5	Very low	102 Å²	102	133.7 Å²	133.7	71%	0.713	66%	0.664	S	S	*	*			trans	70.4	158.7	144	80.2	0	0	0	0	117.6
2050	Q	35.1	Very low	29.9	Very low	165 Å²	165	129.5 Å²	129.5	77%	0.771	65%	0.653	S	S	*	*			cis	-132.8	144.2	7.1	-77.9	-175.5	-7.2	0	0	113
2051	H	31	Very low	30.2	Very low	147 Å²	147	129.3 Å²	129.3	68%	0.681	65%	0.653	S	S	*	*			trans	45.6	130.1	137	-73.9	-68.6	0	0	0	124.5
2052	N	29.9	Very low	30.4	Very low	130 Å²	130	128.7 Å²	128.7	70%	0.695	65%	0.65	S	S	*	*			trans	71.8	152.4	130.8	-59.2	6.5	0	0	0	118.4
2053	L	32.6	Very low	30.7	Very low	132 Å²	132	127 Å²	127	69%	0.691	64%	0.638	S	S	*	*			cis	-149.3	147.5	-12.6	-143.1	86.5	0	0	0	109
2054	D	27.2	Very low	30.8	Very low	124 Å²	124	122.1 Å²	122.1	66%	0.663	62%	0.617	S	S	*	*			trans	28.3	135	140.2	-62.5	-2.1	0	0	0	123.9
2055	L	31	Very low	31	Very low	156 Å²	156	121.9 Å²	121.9	82%	0.817	62%	0.62	S	S	*	*			trans	69.7	151.7	141.4	-63.3	165.6	0	0	0	120.1
2056	V	29.9	Very low	31.4	Very low	102 Å²	102	122 Å²	122	62%	0.618	62%	0.621	S	S	*	*			cis	-166.2	141.2	-28.6	78.2	0	0	0	0	111
2057	M	30.3	Very low	31.7	Very low	125 Å²	125	122.3 Å²	122.3	62%	0.616	62%	0.624	S	S	*	*			trans	61.9	172.4	171.2	-38.8	-170.8	-152.3	0	0	115.7	S1884	S1884-M2057 WeakPolarHBondContact CB-SD 3.16Å; S1884-M2057 PolarHBondContact OG-SD 3.45Å
2058	S	32.5	Very low	31.8	Very low	66 Å²	66	116.7 Å²	116.7	46%	0.462	61%	0.606	S	S	.	*			cis	-168.9	156.3	4.2	3.9	0	0	0	0	115	D1883 S1884	D1883-S2058 WeakPolarHBondContact O-CB 3.42Å; S1884-S2058 WeakPolarHBondContact O-CB 3.36Å; S1884-S2058 PolarHBondContact O-OG 2.68Å
2059	N	33.4	Very low	31.8	Very low	83 Å²	83	117 Å²	117	44%	0.444	61%	0.605	S	S	.	*			trans	21.5	161.5	154.9	-83.6	-8.1	0	0	0	124.2	L1882 D1883	L1882-N2059 WeakPolarHBondContact CA-OD1 3.2Å; L1882-N2059 PolarHBondContact N-OD1 2.9Å; L1882-N2059 PolarHBondContact O-N 3.38Å; L1882-N2059 VanDerWaalsContact O-N 3.08Å; D1883-N2059 VanDerWaalsContact C-CG 3.41Å; D1883-N2059 VanDerWaalsContact CA-CG 3.42Å; D1883-N2059 WeakPolarHBondContact CA-ND2 3.27Å; D1883-N2059 WeakPolarHBondContact CA-OD1 3.37Å; D1883-N2059 PolarHBondContact N-OD1 3.44Å; D1883-N2059 WeakPolarHBondContact O-CB 3.49Å; D1883-N2059 PolarHBondContact O-N 2.83Å; D1883-N2059 PolarHBondContact O-ND2 3.09Å
2060	S	37.2	Very low	31.7	Very low	76 Å²	76	116.1 Å²	116.1	53%	0.531	60%	0.599	S	S	.	*			cis	-173.7	146.3	-18.1	53.5	0	0	0	0	112.5
2061	N	35.1	Very low	31.9	Very low	136 Å²	136	113.5 Å²	113.5	73%	0.727	60%	0.596	S	S	*	*			trans	64.9	151.6	153.1	-62	-0.6	0	0	0	118.4
2062	H	32.4	Very low	31.9	Very low	134 Å²	134	114.5 Å²	114.5	62%	0.62	60%	0.601	S	S	*	*			cis	-145.9	154.7	30	-126.3	-72.7	0	0	0	115.6
2063	Y	34	Very low	31.9	Very low	103 Å²	103	112 Å²	112	40%	0.404	59%	0.594	S	S	.	*			trans	90.3	118.3	155.2	-62.4	-47	0	0	0	123.1	T20 S21 H22	T20-Y2063 WeakPolarHBondContact CG2-O 3.45Å; S21-Y2063 WeakPolarHBondContact OG-CB 3.39Å; H22-Y2063 HydrophobicContact CB-CD1 3.95Å; H22-Y2063 HydrophobicContact CB-CE1 3.42Å; H22-Y2063 VanDerWaalsContact CB-CE1 3.42Å; H22-Y2063 HydrophobicContact CB-CE2 4.14Å; H22-Y2063 AromaticContact CD2-CD1 3.32Å; H22-Y2063 WeakPolarHBondContact CD2-CD1 3.36Å; H22-Y2063 AromaticContact CD2-CE1 3.28Å; H22-Y2063 WeakPolarHBondContact CD2-CE1 3.29Å; H22-Y2063 AromaticContact CG-CD1 3.82Å; H22-Y2063 AromaticContact CG-CE1 3.33Å; H22-Y2063 AromaticContact CG-CZ 3.95Å
2064	N	30	Very low	31.8	Very low	45 Å²	45	116.4 Å²	116.4	24%	0.241	60%	0.603	C	S	.	*			trans	41.8	134.2	139.8	-59.9	46.4	0	0	0	129.9	T20 S21 H22	T20-N2064 HydrophobicContact CG2-CB 4.45Å; T20-N2064 WeakPolarHBondContact CG2-O 3.24Å; S21-N2064 VanDerWaalsContact CB-CG 3.43Å; S21-N2064 WeakPolarHBondContact CB-ND2 3.27Å; S21-N2064 VanDerWaalsContact OG-CB 3.27Å; S21-N2064 WeakPolarHBondContact OG-CB 3.4Å; S21-N2064 PolarHBondContact OG-OD1 3.32Å; H22-N2064 VanDerWaalsContact CD2-CG 3.43Å; H22-N2064 PolarHBondContact CD2-ND2 3.48Å; H22-N2064 PolarHBondContact CD2-OD1 3.26Å; H22-N2064 PolarHBondContact NE2-ND2 2.87Å; H22-N2064 PolarHBondContact NE2-OD1 2.73Å
2065	D	30.9	Very low	31.8	Very low	120 Å²	120	116.3 Å²	116.3	64%	0.642	61%	0.606	S	S	*	*				36.5	127.1	118.8	-30.4	-24.4	0	0	0	120.6	L19	L19-D2065 WeakPolarHBondContact CD2-O 3.22Å
2066	E	34	Very low	31.7	Very low	139 Å²	139	117.8 Å²	117.8	65%	0.65	61%	0.609	S	S	*	*			cis	-156.7	-178.6	-3.4	-142.7	-136.7	120.9	0	0	106.8
2067	M	32	Very low	31.4	Very low	141 Å²	141	117.7 Å²	117.7	70%	0.695	61%	0.612	S	S	*	*			cis	-136.6	-152.7	22.4	-58.5	-172.9	142.2	0	0	111
2068	H	28.3	Very low	31.3	Very low	78 Å²	78	116.3 Å²	116.3	36%	0.361	62%	0.615	S	S	.	*			cis	-162.8	-163.4	11.5	-154	67	0	0	0	111.8	S475	S475-H2068 WeakPolarHBondContact CA-NE2 3.28Å; S475-H2068 VanDerWaalsContact CB-NE2 3.35Å; S475-H2068 WeakPolarHBondContact CB-NE2 3.32Å
2069	F	29.6	Very low	31	Very low	152 Å²	152	118.7 Å²	118.7	67%	0.667	63%	0.632	S	S	*	*				-151.6	164.3	-111.4	177.9	70.2	0	0	0	112.5
2070	S	28.3	Very low	30.7	Very low	85 Å²	85	119.6 Å²	119.6	59%	0.594	65%	0.645	S	S	*	*			trans	65	155.3	-179.8	-73.5	0	0	0	0	117.7
2071	P	40.3	Very low	30.1	Very low	109 Å²	109	123.1 Å²	123.1	71%	0.708	66%	0.658	S	S	*	*			cis	-141.1	-168.3	-29.9	37	-16.5	0	0	0	115.2
2072	H	31.5	Very low	29.6	Very low	169 Å²	169	121.4 Å²	121.4	78%	0.782	66%	0.656	S	S	*	*			trans	96.1	102.7	149.2	-101.4	-75	0	0	0	126
2073	S	28.6	Very low	29.2	Very low	76 Å²	76	120.6 Å²	120.6	53%	0.531	67%	0.666	S	S	.	*				64.8	119.9	127	60.2	0	0	0	0	128.3
2074	Y	31.4	Very low	29	Very low	225 Å²	225	120.9 Å²	120.9	88%	0.882	68%	0.68	S	S	*	*				75.2	158.8	123.6	-64.4	166.1	0	0	0	123.7
2075	V	27.2	Very low	28.8	Very low	122 Å²	122	127.6 Å²	127.6	74%	0.739	71%	0.708	S	S	*	*			cis	-171.9	144.4	-29.5	68.8	0	0	0	0	113.7
2076	H	28.5	Very low	28.6	Very low	187 Å²	187	129 Å²	129	87%	0.866	72%	0.715	S	S	*	*			trans	-164.1	144.6	152.1	-110.2	-79.1	0	0	0	106.3
2077	S	24.5	Very low	28.3	Very low	100 Å²	100	128 Å²	128	70%	0.699	72%	0.724	S	S	*	*			cis	-138.9	172.1	29.9	64.5	0	0	0	0	116.3
2078	S	27.2	Very low	28.1	Very low	97 Å²	97	126 Å²	126	68%	0.678	72%	0.716	S	S	*	*			trans	-39.7	161.9	152.5	44.6	0	0	0	0	115.7
2079	S	27.6	Very low	28.1	Very low	116 Å²	116	126.4 Å²	126.4	81%	0.811	71%	0.714	S	S	*	*			cis	-166.1	-177.4	1.4	37	0	0	0	0	112.3
2080	S	25.2	Very low	28.2	Very low	102 Å²	102	119.7 Å²	119.7	71%	0.713	69%	0.686	S	S	*	*			trans	-64.8	154.8	-175	54.6	0	0	0	0	119.1
2081	N	25.3	Very low	28.2	Very low	150 Å²	150	121.8 Å²	121.8	80%	0.802	69%	0.686	S	S	*	*			trans	85.5	117.6	151.5	-70.4	5.2	0	0	0	122.3
2082	S	24.6	Very low	27.6	Very low	100 Å²	100	118.9 Å²	118.9	70%	0.699	67%	0.668	S	S	*	*			trans	61.6	95.3	140	64.2	0	0	0	0	121.9
2083	S	24.8	Very low	27.4	Very low	116 Å²	116	114.1 Å²	114.1	81%	0.811	65%	0.651	S	S	*	*			trans	65.9	161.5	142.2	72.7	0	0	0	0	119.2
2084	P	30.2	Very low	27.4	Very low	110 Å²	110	116.5 Å²	116.5	71%	0.714	65%	0.654	S	S	*	*			cis	-124.2	167.9	-1.4	41.4	-28.1	0	0	0	115.3
2085	F	24.5	Very low	27.4	Very low	186 Å²	186	110.3 Å²	110.3	82%	0.816	64%	0.64	S	S	*	*	S	Bend	trans	50	125.1	158.4	-90.5	-86.5	0	0	0	121.8
2086	N	26.6	Very low	27.9	Very low	149 Å²	149	112.7 Å²	112.7	80%	0.797	64%	0.64	S	S	*	*			trans	61.8	90	153.7	-63.9	-7.9	0	0	0	119.1
2087	S	27.1	Very low	27.9	Very low	119 Å²	119	107 Å²	107	83%	0.832	62%	0.622	S	S	*	*			trans	-147.2	91.9	167.4	62.6	0	0	0	0	115.2
2088	N	28.5	Very low	27.9	Very low	99 Å²	99	107.6 Å²	107.6	53%	0.529	61%	0.613	S	S	.	*			trans	-24.5	130.9	137.1	-88.9	4.6	0	0	0	116.7	H1866 R1867	H1866-N2088 PolarHBondContact O-ND2 3.32Å; R1867-N2088 WeakPolarHBondContact O-CB 3.28Å; R1867-N2088 VanDerWaalsContact O-CG 3.23Å; R1867-N2088 PolarHBondContact O-ND2 3.17Å
2089	R	29.3	Very low	27.8	Very low	85 Å²	85	108.9 Å²	108.9	32%	0.321	61%	0.612	S	S	.	*				176.1	141.7	120.3	-113.5	-175.5	170.6	-145.5	0.2	114.6	H1866 R1867 Y1869 H2091	H1866-R2089 PolarHBondContact CD2-NH2 3.3Å; H1866-R2089 PolarHBondContact NE2-NH2 3.44Å; R1867-R2089 HydrophobicContact CB-CG 3.81Å; R1867-R2089 WeakPolarHBondContact O-CA 3.33Å; Y1869-R2089 CarbonylContact C-O 3.35Å; Y1869-R2089 CarbonylContact O-C 3.49Å; Y1869-R2089 VanDerWaalsContact O-O 3.1Å; R2089-H2091 PolarHBondContact O-N 2.82Å
2090	P	30.3	Very low	27.8	Very low	12 Å²	12	108.9 Å²	108.9	8%	0.078	60%	0.603	C	S	.	*			trans	-80.2	-2.2	-169	1.4	1.1	0	0	0	119	H1868 Y1869 H1870 D1871	H1868-P2090 WeakPolarHBondContact O-CD 3.41Å; H1868-P2090 WeakPolarHBondContact O-CG 3.37Å; Y1869-P2090 HydrophobicContact CD1-CB 3.55Å; Y1869-P2090 HydrophobicContact CD1-CG 3.62Å; Y1869-P2090 HydrophobicContact CD2-CB 4.22Å; Y1869-P2090 HydrophobicContact CD2-CG 3.02Å; Y1869-P2090 HydrophobicContact CE2-CG 4.07Å; Y1869-P2090 HydrophobicContact CG-CB 3.16Å; Y1869-P2090 HydrophobicContact CG-CG 2.67Å; Y1869-P2090 WeakPolarHBondContact O-CA 3.19Å; H1870-P2090 PolarHBondContact CE1-O 3.06Å; H1870-P2090 PolarHBondContact ND1-O 3.45Å; D1871-P2090 HydrophobicContact CB-CB 4.28Å; D1871-P2090 VanDerWaalsContact CG-CB 3.44Å; D1871-P2090 WeakPolarHBondContact OD1-CB 3.47Å
2091	H	29.6	Very low	27.8	Very low	128 Å²	128	110.6 Å²	110.6	59%	0.593	60%	0.604	S	S	*	*			trans	36.3	78.7	-157.2	-64.1	-73.7	0	0	0	116.6	H1870 R2089	H1870-H2091 AromaticContact NE2-CD2 3.72Å; R2089-H2091 PolarHBondContact O-N 2.82Å
2092	S	26.9	Very low	27.8	Very low	48 Å²	48	108.4 Å²	108.4	34%	0.336	60%	0.596	S	S	.	*				76.3	143.4	55.8	93.3	0	0	0	0	113.1
2093	V	27.2	Very low	27.8	Very low	70 Å²	70	109.9 Å²	109.9	42%	0.424	60%	0.596	S	S	.	*			cis	-171.8	151.7	14.2	90.9	0	0	0	0	113.3
2094	E	27.9	Very low	27.9	Very low	125 Å²	125	111.5 Å²	111.5	58%	0.584	60%	0.596	S	S	*	*			trans	68.7	147.4	150.6	-75.1	150.8	-139.6	0	0	121.3	R1867	R1867-E2094 IonicContact NH1-OE1 3.19Å; R1867-E2094 PolarHBondContact NH1-OE1 3.31Å; R1867-E2094 IonicContact NH2-OE1 3.6Å
2095	T	31.7	Very low	27.7	Very low	96 Å²	96	110.7 Å²	110.7	59%	0.589	59%	0.592	S	S	*	*			cis	167.4	-179.7	-33	34.1	0	0	0	0	110.5
2096	F	37.3	Very low	27.8	Very low	172 Å²	172	108.7 Å²	108.7	75%	0.754	59%	0.59	S	S	*	*			trans	83.2	144.1	151.5	-64.4	-49.5	0	0	0	114.6
2097	S	28.9	Very low	27.8	Very low	68 Å²	68	109.9 Å²	109.9	48%	0.476	59%	0.588	S	S	.	*				-136.5	171.7	58.4	52.8	0	0	0	0	113.4
2098	H	25.9	Very low	27.8	Very low	111 Å²	111	110 Å²	110	51%	0.514	58%	0.579	S	S	.	*			cis	-143.4	151	27.9	-99.7	-75.6	0	0	0	115.6	L1882	L1882-H2098 WeakPolarHBondContact CD1-CD2 3.18Å; L1882-H2098 WeakPolarHBondContact CD1-NE2 3.07Å
2099	N	24.6	Very low	27.6	Very low	124 Å²	124	113.1 Å²	113.1	66%	0.663	59%	0.59	S	S	*	*			trans	61.3	135.1	150.2	-53.3	-10	0	0	0	117.6
2100	N	26.9	Very low	27.4	Very low	117 Å²	117	119.4 Å²	119.4	63%	0.626	61%	0.614	S	S	*	*			cis	-152.2	150.6	-6.5	-110.8	-11.1	0	0	0	108.1
2101	L	25.4	Very low	27.1	Very low	137 Å²	137	129.3 Å²	129.3	72%	0.717	65%	0.65	S	S	*	*				38.2	124.6	101.7	-47.8	177.3	0	0	0	113.8
2102	T	25.9	Very low	26.9	Very low	104 Å²	104	132.3 Å²	132.3	64%	0.638	66%	0.657	S	S	*	*			cis	-168.3	156.8	4.1	7.1	0	0	0	0	111.1
2103	N	24.5	Very low	26.6	Very low	131 Å²	131	134.9 Å²	134.9	70%	0.701	67%	0.671	S	S	*	*			trans	40.5	156.2	135.2	-54.2	-13.3	0	0	0	122.8
2104	N	25.7	Very low	26.4	Very low	151 Å²	151	139 Å²	139	81%	0.807	69%	0.685	S	S	*	*			trans	79.8	135.5	155.1	-61.9	-22.6	0	0	0	116.8
2105	S	27.7	Very low	26.2	Very low	92 Å²	92	138.6 Å²	138.6	64%	0.643	69%	0.692	S	S	*	*			cis	-170.2	150.6	-0.5	40.1	0	0	0	0	115.5
2106	L	26.2	Very low	25.8	Very low	145 Å²	145	138.4 Å²	138.4	76%	0.759	69%	0.694	S	S	*	*			trans	70.5	126.3	144.8	-63.7	157.1	0	0	0	121.7
2107	F	27	Very low	25.2	Very low	173 Å²	173	137.7 Å²	137.7	76%	0.759	70%	0.697	S	S	*	*			trans	78.7	104.5	133.6	-84.9	-117.9	0	0	0	123.9
2108	D	26.1	Very low	25.1	Very low	121 Å²	121	139.2 Å²	139.2	65%	0.647	71%	0.708	S	S	*	*				83	152.5	104.1	-148.5	5.4	0	0	0	122.6
2109	H	24.6	Very low	25.4	Very low	166 Å²	166	139.6 Å²	139.6	77%	0.769	72%	0.719	S	S	*	*			trans	85.6	167.3	152.4	-98.7	43.6	0	0	0	122.9
2110	R	24.7	Very low	25.9	Very low	216 Å²	216	138.8 Å²	138.8	82%	0.815	72%	0.718	S	S	*	*			trans	-104.6	162.8	-165.4	-58.4	169.7	166.2	169.7	-5.6	112.1
2111	R	25	Very low	26.4	Very low	220 Å²	220	139.1 Å²	139.1	83%	0.83	72%	0.72	S	S	*	*			trans	74.5	136.4	152.7	-74.7	-173.4	176.9	175.4	-0.7	118.5
2112	Y	24.1	Very low	26.8	Very low	191 Å²	191	138 Å²	138	75%	0.749	71%	0.714	S	S	*	*			trans	57.2	104.5	137.6	-85.9	-103.9	0	0	0	120.5
2113	T	21.9	Very low	27	Very low	103 Å²	103	139.3 Å²	139.3	63%	0.632	72%	0.718	S	S	*	*				72	159.9	125.7	58.3	0	0	0	0	119.8
2114	H	23.1	Very low	27.3	Very low	155 Å²	155	140.8 Å²	140.8	72%	0.718	72%	0.72	S	S	*	*			trans	65.1	96.7	172.6	-65.6	-64.2	0	0	0	113.8
2115	T	22.7	Very low	27.5	Very low	117 Å²	117	136.3 Å²	136.3	72%	0.718	70%	0.698	S	S	*	*				54.9	123.9	84	70.3	0	0	0	0	110.6
2116	S	24.1	Very low	27.6	Very low	92 Å²	92	137 Å²	137	64%	0.643	69%	0.694	S	S	*	*				-176.3	170.4	54.7	55.3	0	0	0	0	113.1
2117	L	24.2	Very low	27.8	Very low	157 Å²	157	134.6 Å²	134.6	82%	0.822	68%	0.679	S	S	*	*			trans	69.5	162	141.4	-81.8	162.5	0	0	0	119.4
2118	S	27.9	Very low	27.9	Very low	101 Å²	101	131.2 Å²	131.2	71%	0.706	67%	0.667	S	S	*	*			trans	64	117.8	168.4	59.1	0	0	0	0	117.2
2119	T	31.6	Very low	27.8	Very low	119 Å²	119	130.8 Å²	130.8	73%	0.73	67%	0.665	S	S	*	*			cis	-162.7	172.3	-12.9	-7.8	0	0	0	0	108.8
2120	T	35.3	Very low	28.2	Very low	106 Å²	106	129.3 Å²	129.3	65%	0.65	66%	0.663	S	S	*	*			trans	37.7	126.6	147.9	59.6	0	0	0	0	119.3
2121	N	36.5	Very low	28.4	Very low	125 Å²	125	120.2 Å²	120.2	67%	0.668	63%	0.632	S	S	*	*			cis	-172.6	159.9	16.1	-115.6	-8.3	0	0	0	111.7
2122	N	34.2	Very low	28.6	Very low	112 Å²	112	112.4 Å²	112.4	60%	0.599	61%	0.606	S	S	*	*			trans	55.6	96	142.4	-58.1	-16.7	0	0	0	120.1
2123	N	29.6	Very low	29.1	Very low	132 Å²	132	106.3 Å²	106.3	71%	0.706	59%	0.587	S	S	*	*				66.5	160.9	108.8	-54.9	-19.2	0	0	0	121.2
2124	H	31.9	Very low	29.6	Very low	163 Å²	163	104.3 Å²	104.3	76%	0.755	57%	0.57	S	S	*	*			trans	82.3	111.4	164.4	-70.6	-84.7	0	0	0	119.2
2125	V	29.2	Very low	29.8	Very low	56 Å²	56	99.6 Å²	99.6	34%	0.339	55%	0.55	S	S	.	.			trans	79.1	110	133.5	175	0	0	0	0	114.4	P2137	V2125-P2137 HydrophobicContact CB-CG 4.33Å; V2125-P2137 HydrophobicContact CG1-CB 4.24Å; V2125-P2137 HydrophobicContact CG1-CG 3.69Å; V2125-P2137 HydrophobicContact CG2-CG 3.75Å
2126	N	30.3	Very low	30.3	Very low	106 Å²	106	98 Å²	98	57%	0.567	54%	0.537	S	S	*	.				49.6	142.9	80.8	-90.5	23.7	0	0	0	114.1	P2137	N2126-P2137 HydrophobicContact CB-CB 3.82Å; N2126-P2137 HydrophobicContact CB-CG 4.33Å
2127	E	29.3	Very low	30.6	Very low	95 Å²	95	95.7 Å²	95.7	44%	0.444	52%	0.519	S	S	.	.	S	Bend	trans	59.5	174.4	170.1	-72.8	-178.9	122.2	0	0	117.6	N2129 I2135 N2136 P2137	E2127-N2129 PolarHBondContact O-N 3.19Å; E2127-I2135 HydrophobicContact CB-CB 4.39Å; E2127-I2135 HydrophobicContact CB-CG2 3.75Å; E2127-I2135 HydrophobicContact CG-CG2 4.05Å; E2127-I2135 WeakPolarHBondContact OE1-CG2 3.32Å; E2127-N2136 VanDerWaalsContact OE2-CA 3.32Å; E2127-N2136 WeakPolarHBondContact OE2-CA 3.43Å; E2127-N2136 PolarHBondContact OE2-N 3.34Å; E2127-N2136 VanDerWaalsContact OE2-N 3.17Å; E2127-N2136 VanDerWaalsContact OE2-O 3.13Å; E2127-P2137 WeakPolarHBondContact OE2-CA 3.42Å; E2127-P2137 WeakPolarHBondContact OE2-CB 3.37Å
2128	M	28.9	Very low	31	Very low	102 Å²	102	95.6 Å²	95.6	50%	0.502	51%	0.512	S	S	.	.			trans	-64.6	123	-158.9	-66.3	66.5	130.9	0	0	114.2	N2130 S2131 I2135	M2128-N2130 WeakPolarHBondContact CB-O 3.43Å; M2128-S2131 WeakPolarHBondContact O-CB 3.48Å; M2128-S2131 PolarHBondContact O-OG 2.59Å; M2128-I2135 HydrophobicContact CB-CB 4.11Å; M2128-I2135 HydrophobicContact CB-CD1 3.47Å; M2128-I2135 VanDerWaalsContact CB-CD1 3.47Å; M2128-I2135 HydrophobicContact CB-CG1 4.18Å; M2128-I2135 HydrophobicContact CB-CG2 4.42Å; M2128-I2135 HydrophobicContact CE-CD1 3.96Å; M2128-I2135 HydrophobicContact CE-CG2 4.09Å; M2128-I2135 HydrophobicContact CG-CD1 3.69Å; M2128-I2135 HydrophobicContact SD-CB 4.49Å; M2128-I2135 HydrophobicContact SD-CD1 4.08Å; M2128-I2135 HydrophobicContact SD-CG2 3.76Å
2129	N	25.2	Very low	30.9	Very low	112 Å²	112	98.5 Å²	98.5	60%	0.599	52%	0.515	S	S	*	.	S	Bend	trans	-111.4	127.6	133.8	-64	-107.6	0	0	0	105.1	Q1854 E2127	Q1854-N2129 WeakPolarHBondContact CB-OD1 3.24Å; Q1854-N2129 VanDerWaalsContact CG-OD1 3.25Å; Q1854-N2129 WeakPolarHBondContact CG-OD1 3.17Å; Q1854-N2129 VanDerWaalsContact OE1-CG 3.27Å; Q1854-N2129 PolarHBondContact OE1-OD1 2.87Å; E2127-N2129 PolarHBondContact O-N 3.19Å
2130	N	32.2	Very low	31	Very low	136 Å²	136	95.8 Å²	95.8	73%	0.727	50%	0.499	S	S	*	.	S	Bend	cis	-78	153.4	8.4	-159.3	6.2	0	0	0	114.2	Q1854 M2128	Q1854-N2130 PolarHBondContact NE2-OD1 2.93Å; Q1854-N2130 VanDerWaalsContact OE1-CA 3.27Å; M2128-N2130 WeakPolarHBondContact CB-O 3.43Å
2131	S	28.5	Very low	30.7	Very low	24 Å²	24	98.4 Å²	98.4	17%	0.168	50%	0.498	C	S	.	.			trans	-171.6	-117.4	-162.2	152.1	0	0	0	0	108.5	Q1854 M2128 N2133 Q2134 I2135	Q1854-S2131 VanDerWaalsContact CG-CB 3.47Å; M2128-S2131 WeakPolarHBondContact O-CB 3.48Å; M2128-S2131 PolarHBondContact O-OG 2.59Å; S2131-N2133 VanDerWaalsContact C-C 3.49Å; S2131-N2133 CarbonylContact C-O 3.29Å; S2131-N2133 WeakPolarHBondContact CA-O 3.41Å; S2131-Q2134 PolarHBondContact OG-N 2.74Å; S2131-I2135 PolarHBondContact OG-N 3.42Å
2132	I	29.9	Very low	30.2	Very low	57 Å²	57	98.6 Å²	98.6	29%	0.292	50%	0.499	S	S	.	.	S	Bend	trans	52.7	54.4	176.7	-156.7	171.7	0	0	0	115.5	R1853 Q1854 K1855	R1853-I2132 HydrophobicContact CB-CG1 4.11Å; R1853-I2132 HydrophobicContact CG-CG1 3.81Å; R1853-I2132 VanDerWaalsContact CZ-O 3.3Å; R1853-I2132 VanDerWaalsContact NE-C 3.3Å; R1853-I2132 PolarHBondContact NE-O 2.82Å; R1853-I2132 PolarHBondContact NH2-O 2.96Å; Q1854-I2132 HydrophobicContact CB-CB 4.01Å; Q1854-I2132 HydrophobicContact CG-CB 3.98Å; Q1854-I2132 VanDerWaalsContact NE2-CB 3.3Å; Q1854-I2132 WeakPolarHBondContact O-CD1 3.39Å; K1855-I2132 HydrophobicContact CG-CD1 4.08Å
2133	N	35.1	Very low	30.1	Very low	63 Å²	63	99.8 Å²	99.8	34%	0.337	50%	0.504	S	S	.	.	S	Bend	cis	-94.2	171.6	17.7	-47	-95	0	0	0	110.8	K1852 R1853 S2131	K1852-N2133 WeakPolarHBondContact CD-OD1 3.25Å; K1852-N2133 WeakPolarHBondContact CG-OD1 3.27Å; R1853-N2133 WeakPolarHBondContact CD-OD1 3.41Å; R1853-N2133 HydrophobicContact CG-CB 4.15Å; R1853-N2133 WeakPolarHBondContact CG-OD1 3.48Å; R1853-N2133 PolarHBondContact NE-ND2 2.92Å; R1853-N2133 PolarHBondContact NE-OD1 2.76Å; R1853-N2133 PolarHBondContact NH2-ND2 3.27Å; S2131-N2133 VanDerWaalsContact C-C 3.49Å; S2131-N2133 CarbonylContact C-O 3.29Å; S2131-N2133 WeakPolarHBondContact CA-O 3.41Å
2134	Q	31.2	Very low	29.8	Very low	61 Å²	61	99 Å²	99	29%	0.285	51%	0.507	S	S	.	.			cis	-162.8	38.2	19.4	-155.8	144	81.4	0	0	117.3	Q1851 S2131	Q1851-Q2134 HydrophobicContact CB-CG 4.1Å; Q1851-Q2134 VanDerWaalsContact CG-CD 3.4Å; Q1851-Q2134 HydrophobicContact CG-CG 4.22Å; Q1851-Q2134 VanDerWaalsContact CG-OE1 3.3Å; S2131-Q2134 PolarHBondContact OG-N 2.74Å
2135	I	28.5	Very low	29.7	Very low	55 Å²	55	98.7 Å²	98.7	28%	0.282	51%	0.511	S	S	.	.			trans	-116.9	124.7	-153	-34	-175.1	0	0	0	111.5	E2127 M2128 S2131	E2127-I2135 HydrophobicContact CB-CB 4.39Å; E2127-I2135 HydrophobicContact CB-CG2 3.75Å; E2127-I2135 HydrophobicContact CG-CG2 4.05Å; E2127-I2135 WeakPolarHBondContact OE1-CG2 3.32Å; M2128-I2135 HydrophobicContact CB-CB 4.11Å; M2128-I2135 HydrophobicContact CB-CD1 3.47Å; M2128-I2135 VanDerWaalsContact CB-CD1 3.47Å; M2128-I2135 HydrophobicContact CB-CG1 4.18Å; M2128-I2135 HydrophobicContact CB-CG2 4.42Å; M2128-I2135 HydrophobicContact CE-CD1 3.96Å; M2128-I2135 HydrophobicContact CE-CG2 4.09Å; M2128-I2135 HydrophobicContact CG-CD1 3.69Å; M2128-I2135 HydrophobicContact SD-CB 4.49Å; M2128-I2135 HydrophobicContact SD-CD1 4.08Å; M2128-I2135 HydrophobicContact SD-CG2 3.76Å; S2131-I2135 PolarHBondContact OG-N 3.42Å
2136	N	33	Very low	29.6	Very low	83 Å²	83	100.4 Å²	100.4	44%	0.444	53%	0.525	S	S	.	.			trans	-173.5	151.8	-163.7	-118.2	-16	0	0	0	109.3	K1852 E2127	K1852-N2136 PolarHBondContact O-ND2 3.35Å; E2127-N2136 VanDerWaalsContact OE2-CA 3.32Å; E2127-N2136 WeakPolarHBondContact OE2-CA 3.43Å; E2127-N2136 PolarHBondContact OE2-N 3.34Å; E2127-N2136 VanDerWaalsContact OE2-N 3.17Å; E2127-N2136 VanDerWaalsContact OE2-O 3.13Å
2137	P	31.3	Very low	29.5	Very low	44 Å²	44	100.2 Å²	100.2	29%	0.286	53%	0.532	S	S	.	.				-135.5	179.8	-123.7	46.3	-34.8	0	0	0	117.5	V2125 N2126 E2127	V2125-P2137 HydrophobicContact CB-CG 4.33Å; V2125-P2137 HydrophobicContact CG1-CB 4.24Å; V2125-P2137 HydrophobicContact CG1-CG 3.69Å; V2125-P2137 HydrophobicContact CG2-CG 3.75Å; N2126-P2137 HydrophobicContact CB-CB 3.82Å; N2126-P2137 HydrophobicContact CB-CG 4.33Å; E2127-P2137 WeakPolarHBondContact OE2-CA 3.42Å; E2127-P2137 WeakPolarHBondContact OE2-CB 3.37Å
2138	K	31.4	Very low	29.4	Very low	155 Å²	155	102.5 Å²	102.5	67%	0.674	55%	0.546	S	S	*	.			trans	73.8	137.4	168.3	-52.8	171.6	-178.8	-178.1	0	113.1
2139	H	26.8	Very low	29.4	Very low	163 Å²	163	103.7 Å²	103.7	76%	0.755	56%	0.555	S	S	*	*				48.7	136.9	69	-88.4	-78.2	0	0	0	114.2
2140	P	32.1	Very low	29.6	Very low	62 Å²	62	104.1 Å²	104.1	40%	0.403	56%	0.557	S	S	.	*			cis	-140.3	159.2	2.2	41	-21.9	0	0	0	118.3	S1846	S1846-P2140 PolarHBondContact N-O 2.79Å; S1846-P2140 VanDerWaalsContact N-O 3.13Å
2141	Y	29.2	Very low	29.3	Very low	160 Å²	160	103.9 Å²	103.9	63%	0.627	56%	0.555	S	S	*	*			trans	64.4	130.1	138.5	-86.1	-121.4	0	0	0	122.8
2142	N	27	Very low	29.3	Very low	130 Å²	130	108.9 Å²	108.9	70%	0.695	58%	0.58	S	S	*	*			trans	67.1	151.4	152	-57.2	-2.7	0	0	0	116.2
2143	I	31	Very low	29.3	Very low	136 Å²	136	112.2 Å²	112.2	70%	0.697	60%	0.599	S	S	*	*			cis	-139.1	139.4	29.1	-76.1	172.5	0	0	0	111.8
2144	C	25	Very low	29.1	Very low	115 Å²	115	117 Å²	117	78%	0.777	62%	0.619	S	S	*	*			trans	29.9	170.9	148.2	-53.8	0	0	0	0	124.6
2145	L	28.4	Very low	28.9	Very low	157 Å²	157	119 Å²	119	82%	0.822	64%	0.639	S	S	*	*			trans	81.4	90.7	158.8	-71.1	164.3	0	0	0	118.9
2146	S	27.2	Very low	28.9	Very low	92 Å²	92	124.1 Å²	124.1	64%	0.643	67%	0.667	S	S	*	*				76.7	130.2	116.4	71.1	0	0	0	0	121.3
2147	S	27.5	Very low	28.6	Very low	102 Å²	102	125.6 Å²	125.6	71%	0.713	68%	0.679	S	S	*	*			trans	90.4	124.3	134.1	-68.4	0	0	0	0	121.1
2148	I	28.4	Very low	28.5	Very low	143 Å²	143	130.6 Å²	130.6	73%	0.733	70%	0.703	S	S	*	*			trans	88.7	105.6	137.7	-67.5	165.8	0	0	0	118.4
2149	N	28.2	Very low	28.6	Very low	128 Å²	128	127.3 Å²	127.3	68%	0.684	70%	0.7	S	S	*	*			trans	70.4	122.5	138.6	-66.8	6	0	0	0	122.8
2150	N	29.1	Very low	28.9	Very low	120 Å²	120	125.9 Å²	125.9	64%	0.642	70%	0.698	S	S	*	*				73.1	107.7	124.9	-63.8	4.9	0	0	0	120.8
2151	N	26.6	Very low	29	Very low	131 Å²	131	130.6 Å²	130.6	70%	0.701	72%	0.716	S	S	*	*				89	145.5	116.2	-67.5	1.1	0	0	0	120.6
2152	N	28.5	Very low	28.8	Very low	130 Å²	130	130.4 Å²	130.4	70%	0.695	72%	0.724	S	S	*	*			trans	75.7	126.6	148.5	-69.8	1.1	0	0	0	119.3
2153	N	30.8	Very low	28.9	Very low	126 Å²	126	130 Å²	130	67%	0.674	72%	0.722	S	S	*	*			trans	75.7	147.5	140.8	-62.8	7.2	0	0	0	117
2154	Q	30	Very low	28.9	Very low	164 Å²	164	127.7 Å²	127.7	77%	0.766	71%	0.707	S	S	*	*			cis	-145.8	174.3	-6.8	-130.4	157.4	-40.8	0	0	111
2155	C	25.9	Very low	29.1	Very low	104 Å²	104	126.8 Å²	126.8	70%	0.703	69%	0.687	S	S	*	*			trans	-45	153	174.4	-44.3	0	0	0	0	113.1
2156	D	29.7	Very low	29	Very low	162 Å²	162	124.4 Å²	124.4	87%	0.866	67%	0.671	S	S	*	*				-139.6	147.2	112.2	-137.1	-23.7	0	0	0	111.9
2157	T	26.9	Very low	29	Very low	114 Å²	114	123.3 Å²	123.3	70%	0.699	66%	0.663	S	S	*	*			trans	-100.9	148	-170.8	52.8	0	0	0	0	111.8
2158	N	29.3	Very low	29.1	Very low	148 Å²	148	124.7 Å²	124.7	79%	0.791	66%	0.662	S	S	*	*			trans	-149.5	116.7	157.4	-132.7	-42.8	0	0	0	115.2
2159	S	32.1	Very low	29.1	Very low	87 Å²	87	122.8 Å²	122.8	61%	0.608	66%	0.657	S	S	*	*			trans	59	112.8	144.5	-66.3	0	0	0	0	122
2160	N	34.2	Very low	29.1	Very low	132 Å²	132	122 Å²	122	71%	0.706	65%	0.653	S	S	*	*				81.6	106.4	129.9	-64.8	-33.4	0	0	0	121.8
2161	M	33	Very low	28.9	Very low	161 Å²	161	121.4 Å²	121.4	79%	0.793	65%	0.649	S	S	*	*			trans	73.2	73.9	132.5	-56.3	-172.7	-166.5	0	0	119.3
2162	I	25.2	Very low	29.2	Very low	156 Å²	156	120.5 Å²	120.5	80%	0.8	64%	0.644	S	S	*	*			trans	-96.5	97.3	130.2	-63.2	-179.4	0	0	0	108.5
2163	L	30.8	Very low	29.2	Very low	123 Å²	123	119.8 Å²	119.8	64%	0.644	65%	0.648	S	S	*	*			trans	-155.3	135.3	168.1	-79.5	-174.7	0	0	0	105.1
2164	K	30.6	Very low	29.1	Very low	87 Å²	87	122.2 Å²	122.2	38%	0.378	66%	0.655	S	S	.	*	S	Bend	cis	-147.3	128.7	6.7	-85.2	133.4	-178.3	-179.3	0	106.3	D178 N179 R180	D178-K2164 WeakPolarHBondContact OD2-CD 3.17Å; D178-K2164 IonicContact OD2-NZ 3.16Å; D178-K2164 PolarHBondContact OD2-NZ 2.77Å; N179-K2164 HydrophobicContact CB-CB 4.49Å; R180-K2164 VanDerWaalsContact NE-C 3.27Å; R180-K2164 PolarHBondContact NE-O 3.39Å
2165	R	28.3	Very low	29.1	Very low	95 Å²	95	116.9 Å²	116.9	36%	0.358	63%	0.633	S	S	.	*			cis	-89.5	-95.8	8	-171.6	-159.5	-161.7	178.3	4.8	108.9	N131 F132	N131-R2165 PolarHBondContact O-NH1 2.78Å; N131-R2165 PolarHBondContact O-NH2 3.36Å; F132-R2165 VanDerWaalsContact O-CZ 3.28Å; F132-R2165 PolarHBondContact O-NH1 3.09Å; F132-R2165 PolarHBondContact O-NH2 2.99Å
2166	H	27	Very low	29	Very low	108 Å²	108	119.3 Å²	119.3	50%	0.5	64%	0.639	S	S	.	*			cis	-146.8	155.8	-14.9	-151.3	-73.1	0	0	0	111
2167	S	27.5	Very low	28.9	Very low	68 Å²	68	114.5 Å²	114.5	48%	0.476	63%	0.628	S	S	.	*			trans	-102.9	146.1	-178.3	52.6	0	0	0	0	111.2
2168	I	29.7	Very low	28.9	Very low	132 Å²	132	114.8 Å²	114.8	68%	0.677	63%	0.63	S	S	*	*	S	Bend	cis	-134.9	150.5	14.9	-65.1	173.9	0	0	0	109.7
2169	T	27.6	Very low	28.9	Very low	102 Å²	102	118 Å²	118	63%	0.626	63%	0.631	S	S	*	*			trans	58.5	136	171.2	45.9	0	0	0	0	117.4
2170	D	28.7	Very low	28.7	Very low	113 Å²	113	122 Å²	122	60%	0.604	64%	0.638	S	S	*	*			cis	-83.5	144.5	-3.8	-59.6	-39.6	0	0	0	109.9
2171	D	25.7	Very low	28.7	Very low	107 Å²	107	120.7 Å²	120.7	57%	0.572	64%	0.635	S	S	*	*				62.7	138.6	57.2	-77.4	-40.1	0	0	0	111.6
2172	L	31.7	Very low	28.7	Very low	111 Å²	111	118.7 Å²	118.7	58%	0.581	63%	0.628	S	S	*	*				26.4	100.1	99.5	-74.5	147.7	0	0	0	109.6	H2174 V2175	L2172-H2174 VanDerWaalsContact C-N 3.25Å; L2172-H2174 HydrophobicContact CD2-CB 4.41Å; L2172-H2174 CarbonylContact O-C 3.4Å; L2172-H2174 VanDerWaalsContact O-C 3.29Å; L2172-V2175 WeakPolarHBondContact O-CB 3.26Å; L2172-V2175 WeakPolarHBondContact O-CG2 3.26Å; L2172-V2175 PolarHBondContact O-N 3.2Å
2173	C	28.2	Very low	29.2	Very low	115 Å²	115	118 Å²	118	78%	0.777	62%	0.621	S	S	*	*	S	Bend	cis	11.6	61.4	34.9	-77.9	0	0	0	0	113.3	V2175	C2173-V2175 PolarHBondContact SG-O 3.43Å
2174	H	28.6	Very low	29.4	Very low	177 Å²	177	118 Å²	118	82%	0.819	61%	0.613	S	S	*	*			cis	-68.5	83.8	29.1	-66.2	-74.5	0	0	0	120.8	L2172	L2172-H2174 VanDerWaalsContact C-N 3.25Å; L2172-H2174 HydrophobicContact CD2-CB 4.41Å; L2172-H2174 CarbonylContact O-C 3.4Å; L2172-H2174 VanDerWaalsContact O-C 3.29Å
2175	V	30.5	Very low	29.7	Very low	52 Å²	52	118.7 Å²	118.7	32%	0.315	62%	0.621	S	S	.	*	S	Bend	trans	-153.4	124.8	160.5	156.5	0	0	0	0	104.4	L2172 C2173	L2172-V2175 WeakPolarHBondContact O-CB 3.26Å; L2172-V2175 WeakPolarHBondContact O-CG2 3.26Å; L2172-V2175 PolarHBondContact O-N 3.2Å; C2173-V2175 PolarHBondContact SG-O 3.43Å
2176	N	24.2	Very low	30.1	Very low	155 Å²	155	115.2 Å²	115.2	83%	0.829	62%	0.615	S	S	*	*	S	Bend	trans	74.1	139.1	177.7	-55.6	-37.8	0	0	0	117.9
2177	G	28.1	Very low	30.4	Very low	62 Å²	62	113 Å²	113	64%	0.639	61%	0.606	S	S	*	*			trans	95.3	64.9	-160.5	0	0	0	0	0	110.9
2178	T	26.3	Very low	30.7	Very low	120 Å²	120	115.2 Å²	115.2	74%	0.736	61%	0.613	S	S	*	*				56.6	122.7	101.6	62.9	0	0	0	0	113.4
2179	W	28.2	Very low	30.8	Very low	214 Å²	214	113.9 Å²	113.9	81%	0.811	61%	0.607	S	S	*	*			cis	-174.4	150.4	26.3	-113.1	5.5	0	0	0	110
2180	F	28.9	Very low	30.9	Very low	171 Å²	171	115.9 Å²	115.9	75%	0.75	61%	0.609	S	S	*	*			trans	61.5	149.1	159	-69.8	-125.9	0	0	0	115
2181	T	34.3	Very low	30.8	Very low	105 Å²	105	117.2 Å²	117.2	64%	0.644	61%	0.612	S	S	*	*			cis	-151.9	162.2	13.1	-2.5	0	0	0	0	109.2
2182	N	32	Very low	30.9	Very low	120 Å²	120	120.3 Å²	120.3	64%	0.642	62%	0.616	S	S	*	*				28.5	153.6	128.9	-53.4	16.9	0	0	0	120.6
2183	E	36	Very low	30.5	Very low	141 Å²	141	125.3 Å²	125.3	66%	0.659	63%	0.628	S	S	*	*			cis	-157	144.3	19.4	-130.3	142.3	-117.7	0	0	109
2184	Y	36.1	Very low	30.3	Very low	124 Å²	124	124.7 Å²	124.7	49%	0.486	62%	0.62	S	S	.	*				65.7	136.7	105.6	-72.6	-136.8	0	0	0	116.3	F1813 T1815	F1813-Y2184 HydrophobicContact CD1-CD1 4.46Å; F1813-Y2184 HydrophobicContact CD1-CE1 4.45Å; F1813-Y2184 AromaticContact CE1-CD1 3.67Å; F1813-Y2184 HydrophobicContact CE1-CD1 3.67Å; F1813-Y2184 AromaticContact CE1-CD2 3.38Å; F1813-Y2184 HydrophobicContact CE1-CD2 3.38Å; F1813-Y2184 AromaticContact CE1-CE1 3.87Å; F1813-Y2184 HydrophobicContact CE1-CE1 3.87Å; F1813-Y2184 AromaticContact CE1-CE2 3.6Å; F1813-Y2184 HydrophobicContact CE1-CE2 3.6Å; F1813-Y2184 AromaticContact CE1-CG 3.42Å; F1813-Y2184 HydrophobicContact CE1-CG 3.42Å; F1813-Y2184 VanDerWaalsContact CE1-CG 3.42Å; F1813-Y2184 AromaticContact CE1-CZ 3.83Å; F1813-Y2184 VanDerWaalsContact CZ-CA 3.48Å; F1813-Y2184 HydrophobicContact CZ-CD1 4.48Å; F1813-Y2184 AromaticContact CZ-CD2 3.65Å; F1813-Y2184 HydrophobicContact CZ-CD2 3.65Å; F1813-Y2184 HydrophobicContact CZ-CE2 4.2Å; F1813-Y2184 AromaticContact CZ-CG 3.81Å; F1813-Y2184 HydrophobicContact CZ-CG 3.81Å; T1815-Y2184 PolarHBondContact OG1-OH 3.17Å
2185	N	36.8	Very low	30.1	Very low	101 Å²	101	124.9 Å²	124.9	54%	0.54	62%	0.621	S	S	.	*			cis	-143	176	0.8	-77.2	-57.5	0	0	0	107.9	R1809 F1813	R1809-N2185 VanDerWaalsContact CZ-O 3.26Å; R1809-N2185 PolarHBondContact NH1-O 2.8Å; F1813-N2185 WeakPolarHBondContact CD1-OD1 3.35Å; F1813-N2185 VanDerWaalsContact CE1-OD1 3.3Å; F1813-N2185 WeakPolarHBondContact CE1-OD1 3.12Å
2186	G	36.2	Very low	30.2	Very low	22 Å²	22	127 Å²	127	23%	0.227	64%	0.636	C	S	.	*			cis	179.5	152.1	4.5	0	0	0	0	0	107.7	R1809	R1809-G2186 WeakPolarHBondContact CD-O 3.02Å
2187	N	34.2	Very low	30.3	Very low	60 Å²	60	129.8 Å²	129.8	32%	0.321	64%	0.636	S	S	.	*				61.9	144.3	83.8	-85.9	26.6	0	0	0	115.1	S1811 F1813	S1811-N2187 WeakPolarHBondContact CB-OD1 3.48Å; F1813-N2187 VanDerWaalsContact CB-CG 3.49Å; F1813-N2187 WeakPolarHBondContact CB-ND2 3.36Å; F1813-N2187 VanDerWaalsContact CB-OD1 3.31Å; F1813-N2187 WeakPolarHBondContact CB-OD1 3.1Å
2188	D	33.9	Very low	30	Very low	115 Å²	115	132.8 Å²	132.8	62%	0.615	64%	0.638	S	S	*	*			cis	-163.6	164.7	5.2	-100.7	-32.6	0	0	0	109.2
2189	N	31	Very low	30.1	Very low	104 Å²	104	132.3 Å²	132.3	56%	0.556	64%	0.635	S	S	*	*			cis	-172.1	176.4	-29.9	-144.2	-52.3	0	0	0	111
2190	H	28.9	Very low	30.1	Very low	144 Å²	144	127.4 Å²	127.4	67%	0.667	62%	0.624	S	S	*	*			trans	64.3	132.9	153.5	-88.5	-77.1	0	0	0	123.9
2191	H	27.7	Very low	30.1	Very low	142 Å²	142	126 Å²	126	66%	0.657	62%	0.62	S	S	*	*				110.5	128.2	127.6	-90.4	-46.8	0	0	0	124.6
2192	Y	26.8	Very low	29.9	Very low	172 Å²	172	127.8 Å²	127.8	68%	0.675	63%	0.625	S	S	*	*			trans	72.4	103.4	148.1	-81.5	-75.8	0	0	0	123.8
2193	W	23.5	Very low	29.7	Very low	215 Å²	215	125.8 Å²	125.8	81%	0.814	62%	0.62	S	S	*	*				74.9	142.7	124	-87.4	33.3	0	0	0	124.5
2194	T	24.2	Very low	29.5	Very low	102 Å²	102	126 Å²	126	63%	0.626	63%	0.625	S	S	*	*			trans	66.2	123.2	148	48.9	0	0	0	0	122.5
2195	H	24	Very low	29.5	Very low	182 Å²	182	123 Å²	123	84%	0.843	63%	0.631	S	S	*	*			trans	59.7	-169.5	153.1	-75.7	-74.4	0	0	0	114.9
2196	P	32.7	Very low	29.4	Very low	96 Å²	96	124 Å²	124	62%	0.623	64%	0.637	S	S	*	*				-127	165.7	-74.6	38.3	-26.1	0	0	0	113.4
2197	Y	26.1	Very low	29	Very low	213 Å²	213	131.3 Å²	131.3	84%	0.835	67%	0.665	S	S	*	*			trans	65	126.6	154.2	-85.1	-134.5	0	0	0	115.8
2198	N	22.9	Very low	28.7	Very low	125 Å²	125	136.2 Å²	136.2	67%	0.668	69%	0.689	S	S	*	*				65.7	141.6	70.6	-171.9	31.3	0	0	0	112.3
2199	V	27.3	Very low	28.9	Very low	111 Å²	111	135.5 Å²	135.5	67%	0.673	69%	0.691	S	S	*	*			trans	66.9	123.2	173.6	155.9	0	0	0	0	112.3
2200	N	29.4	Very low	29	Very low	110 Å²	110	136.5 Å²	136.5	59%	0.588	70%	0.696	S	S	*	*			cis	-161.5	136.6	24	-122.6	9.9	0	0	0	110
2201	Q	28.8	Very low	29.2	Very low	143 Å²	143	139.5 Å²	139.5	67%	0.668	70%	0.702	S	S	*	*				87.3	142.4	83.8	-97.7	-176.7	5.6	0	0	115.6
2202	L	29.1	Very low	29.3	Very low	142 Å²	142	138.3 Å²	138.3	74%	0.743	70%	0.699	S	S	*	*			trans	68.9	147.4	147.8	-62.6	166.3	0	0	0	116.3
2203	S	28.9	Very low	29.6	Very low	77 Å²	77	136.4 Å²	136.4	54%	0.538	70%	0.701	S	S	.	*			cis	-165.2	153.4	4.2	-124.8	0	0	0	0	113.4
2204	I	30.6	Very low	30.2	Very low	147 Å²	147	133.8 Å²	133.8	75%	0.754	70%	0.695	S	S	*	*			trans	60.1	144	139	-62.1	161.9	0	0	0	117.6
2205	G	36.1	Very low	30.7	Very low	60 Å²	60	133.4 Å²	133.4	62%	0.619	70%	0.697	S	S	*	*			cis	-98	153.3	-2.5	0	0	0	0	0	113.4
2206	N	34.7	Very low	31	Very low	123 Å²	123	129.9 Å²	129.9	66%	0.658	69%	0.688	S	S	*	*				65.6	100.6	69.4	-60.7	-1.5	0	0	0	109.8
2207	Q	27.8	Very low	31.4	Very low	174 Å²	174	133.8 Å²	133.8	81%	0.813	70%	0.703	S	S	*	*				52.2	121.5	66.1	-52.8	178.4	5.6	0	0	112.4
2208	I	29.2	Very low	31.7	Very low	164 Å²	164	128.7 Å²	128.7	84%	0.841	69%	0.694	S	S	*	*				-159.4	149.4	116.1	-104.2	156.3	0	0	0	108.2
2209	P	38	Very low	32.1	Very low	99 Å²	99	127.8 Å²	127.8	64%	0.643	70%	0.697	S	S	*	*			trans	-111.2	-168.7	-153.9	37.2	-23.6	0	0	0	112.3
2210	N	33.3	Very low	32.4	Very low	125 Å²	125	127.1 Å²	127.1	67%	0.668	70%	0.698	S	S	*	*			trans	151.9	143.6	140.8	-74.8	-11.2	0	0	0	110.1
2211	W	32.5	Very low	32.5	Very low	208 Å²	208	126.5 Å²	126.5	79%	0.788	70%	0.702	S	S	*	*			cis	-155	171.1	-10.3	-126.1	17.6	0	0	0	111.1
2212	L	29.9	Very low	32.6	Very low	116 Å²	116	126 Å²	126	61%	0.607	71%	0.711	S	S	*	*			trans	5.6	139.8	144.4	-53.3	177.3	0	0	0	117
2213	N	32.9	Very low	32.5	Very low	133 Å²	133	123.9 Å²	123.9	71%	0.711	71%	0.708	S	S	*	*				-165.7	161.8	60.7	-124	-41.6	0	0	0	115.8
2214	K	35.8	Very low	32.5	Very low	159 Å²	159	123.4 Å²	123.4	69%	0.691	71%	0.705	S	S	*	*			trans	61.2	135.4	158.6	-74.9	-176.8	176.1	-178.4	0	118.1
2215	S	35.5	Very low	32.4	Very low	94 Å²	94	119.5 Å²	119.5	66%	0.657	69%	0.69	S	S	*	*			cis	-154.3	141	-24.3	-6.6	0	0	0	0	105.6
2216	V	30	Very low	32.2	Very low	109 Å²	109	119.5 Å²	119.5	66%	0.661	68%	0.681	S	S	*	*			cis	54.9	77	32.2	147.7	0	0	0	0	111.2	T2218	V2216-T2218 HydrophobicContact CG1-CG2 3.71Å
2217	L	40.3	Very low	32.1	Very low	178 Å²	178	123.6 Å²	123.6	93%	0.932	69%	0.687	S	S	*	*	S	Bend		-75.4	130	122.9	-67.3	-179.2	0	0	0	105.7
2218	T	33.6	Very low	32.4	Very low	106 Å²	106	122.9 Å²	122.9	65%	0.65	69%	0.688	S	S	*	*	S	Bend	trans	-72.8	151.5	-146.9	42.9	0	0	0	0	114.9	V2216	V2216-T2218 HydrophobicContact CG1-CG2 3.71Å
2219	S	30.8	Very low	32.7	Very low	105 Å²	105	121.8 Å²	121.8	73%	0.734	69%	0.689	S	S	*	*			trans	64.5	152.2	156.1	47.5	0	0	0	0	117.9
2220	S	32.6	Very low	32.4	Very low	98 Å²	98	119.7 Å²	119.7	69%	0.685	68%	0.677	S	S	*	*			cis	-169.5	172.2	-21.2	52.5	0	0	0	0	109.4
2221	S	31.4	Very low	32.2	Very low	97 Å²	97	118.9 Å²	118.9	68%	0.678	68%	0.677	S	S	*	*			trans	63.5	138.7	151.5	44.5	0	0	0	0	119.7
2222	P	30.8	Very low	31.9	Very low	133 Å²	133	112.9 Å²	112.9	86%	0.864	67%	0.666	S	S	*	*			trans	-87.7	120.6	173.4	33.1	-31.9	0	0	0	113.3
2223	S	27.4	Very low	32	Very low	96 Å²	96	114.1 Å²	114.1	67%	0.671	67%	0.673	S	S	*	*			trans	-156.8	156	161.2	54.9	0	0	0	0	112.1
2224	S	28.9	Very low	31.9	Very low	67 Å²	67	112.4 Å²	112.4	47%	0.469	67%	0.668	S	S	.	*			trans	64.4	-166.2	162.5	44.4	0	0	0	0	120.7	E2235	S2224-E2235 WeakPolarHBondContact CB-OE1 3.2Å; S2224-E2235 PolarHBondContact OG-OE1 3.33Å
2225	S	28.3	Very low	31.7	Very low	65 Å²	65	109.1 Å²	109.1	46%	0.455	65%	0.654	S	S	.	*				-132.3	158.1	-124.9	46.6	0	0	0	0	120.6	E2235 A2236	S2225-E2235 WeakPolarHBondContact CA-OE2 3Å; S2225-E2235 PolarHBondContact N-OE2 2.83Å; S2225-E2235 CarbonylContact O-C 3.08Å; S2225-E2235 WeakPolarHBondContact O-CA 3.15Å; S2225-E2235 WeakPolarHBondContact O-CB 3.3Å; S2225-E2235 WeakPolarHBondContact O-CG 3.3Å; S2225-E2235 PolarHBondContact OG-OE2 2.98Å; S2225-A2236 CarbonylContact C-O 3.06Å; S2225-A2236 WeakPolarHBondContact CA-O 3.05Å; S2225-A2236 PolarHBondContact O-N 3.48Å
2226	S	32.2	Very low	31.6	Very low	61 Å²	61	107 Å²	107	43%	0.427	64%	0.643	S	S	.	*			trans	103.7	-143.2	170.9	91	0	0	0	0	122.3	T2234 E2235 A2236 I2237	S2226-T2234 PolarHBondContact OG-O 2.85Å; S2226-E2235 CarbonylContact C-O 3.23Å; S2226-A2236 VanDerWaalsContact N-C 3.3Å; S2226-A2236 PolarHBondContact N-O 3.33Å; S2226-A2236 CarbonylContact O-C 3.41Å; S2226-A2236 WeakPolarHBondContact O-CA 3.39Å; S2226-I2237 PolarHBondContact O-N 3.11Å; S2226-I2237 VanDerWaalsContact O-N 3.14Å
2227	R	33.9	Very low	31.8	Very low	208 Å²	208	107.3 Å²	107.3	79%	0.785	64%	0.64	S	S	*	*			trans	-130.2	162.8	-135.1	-67.2	169.6	-177.9	162.7	-0.6	119.6	E2235	R2227-E2235 PolarHBondContact N-O 3.43Å
2228	L	33.4	Very low	31.6	Very low	160 Å²	160	109.3 Å²	109.3	84%	0.838	64%	0.635	S	S	*	*			trans	37.9	145.6	144.1	-73.4	167.4	0	0	0	122.6	S2230	L2228-S2230 PolarHBondContact O-N 2.83Å
2229	T	36.1	Very low	31.6	Very low	141 Å²	141	107.8 Å²	107.8	87%	0.865	63%	0.625	S	S	*	*	S	Bend	trans	-79	102	175.1	50.4	0	0	0	0	113.9
2230	S	30.9	Very low	31.4	Very low	54 Å²	54	106.8 Å²	106.8	38%	0.378	61%	0.609	S	S	.	*	S	Bend	trans	-167.8	135.2	148.2	51.3	0	0	0	0	110.4	L2228 F2273	L2228-S2230 PolarHBondContact O-N 2.83Å; S2230-F2273 WeakPolarHBondContact O-CZ 3.26Å; S2230-F2273 WeakPolarHBondContact OG-CE2 3.04Å; S2230-F2273 WeakPolarHBondContact OG-CZ 3.07Å
2231	T	29.4	Very low	31.6	Very low	109 Å²	109	104 Å²	104	67%	0.669	59%	0.586	S	S	*	*	S	Bend	trans	19	105.3	152.5	53.4	0	0	0	0	118.5	F2273	T2231-F2273 WeakPolarHBondContact O-CE1 3.31Å; T2231-F2273 WeakPolarHBondContact O-CZ 2.97Å; T2231-F2273 WeakPolarHBondContact OG1-CE2 3.09Å
2232	S	26.8	Very low	31.7	Very low	81 Å²	81	102.2 Å²	102.2	57%	0.566	57%	0.574	S	S	*	*	S	Bend	trans	74.8	146.6	177.2	83.6	0	0	0	0	117	F2273	S2232-F2273 WeakPolarHBondContact OG-CE1 3.29Å
2233	L	30.4	Very low	31.7	Very low	142 Å²	142	99.5 Å²	99.5	74%	0.743	56%	0.558	S	S	*	*			trans	12.5	124.8	161.2	-83.9	74.6	0	0	0	118.9
2234	T	31.8	Very low	31.9	Very low	98 Å²	98	98.4 Å²	98.4	60%	0.601	55%	0.545	S	S	*	.			cis	-165.1	159	0.1	-25.8	0	0	0	0	110.8	S2226	S2226-T2234 PolarHBondContact OG-O 2.85Å
2235	E	31.7	Very low	32.3	Very low	89 Å²	89	100.2 Å²	100.2	42%	0.416	56%	0.558	S	S	.	*			trans	76.1	167.7	143.6	-149.3	-168.9	-128	0	0	117.4	S2224 S2225 S2226 R2227	S2224-E2235 WeakPolarHBondContact CB-OE1 3.2Å; S2224-E2235 PolarHBondContact OG-OE1 3.33Å; S2225-E2235 WeakPolarHBondContact CA-OE2 3Å; S2225-E2235 PolarHBondContact N-OE2 2.83Å; S2225-E2235 CarbonylContact O-C 3.08Å; S2225-E2235 WeakPolarHBondContact O-CA 3.15Å; S2225-E2235 WeakPolarHBondContact O-CB 3.3Å; S2225-E2235 WeakPolarHBondContact O-CG 3.3Å; S2225-E2235 PolarHBondContact OG-OE2 2.98Å; S2226-E2235 CarbonylContact C-O 3.23Å; R2227-E2235 PolarHBondContact N-O 3.43Å
2236	A	32.7	Very low	32.6	Very low	51 Å²	51	103.6 Å²	103.6	42%	0.421	57%	0.57	S	S	.	*			trans	-127.7	166.9	-144.3	0	0	0	0	0	122.2	S2225 S2226	S2225-A2236 CarbonylContact C-O 3.06Å; S2225-A2236 WeakPolarHBondContact CA-O 3.05Å; S2225-A2236 PolarHBondContact O-N 3.48Å; S2226-A2236 VanDerWaalsContact N-C 3.3Å; S2226-A2236 PolarHBondContact N-O 3.33Å; S2226-A2236 CarbonylContact O-C 3.41Å; S2226-A2236 WeakPolarHBondContact O-CA 3.39Å
2237	I	35.3	Very low	32.4	Very low	114 Å²	114	106.8 Å²	106.8	59%	0.585	59%	0.591	S	S	*	*			trans	132.5	107.2	153.6	-69.9	165.4	0	0	0	117.3	S2226	S2226-I2237 PolarHBondContact O-N 3.11Å; S2226-I2237 VanDerWaalsContact O-N 3.14Å
2238	R	36	Very low	32.1	Very low	220 Å²	220	103.2 Å²	103.2	83%	0.83	59%	0.592	S	S	*	*			trans	55.1	157.1	131.7	-57.3	-176.4	-167.4	163.5	3	122
2239	T	33.2	Very low	31.8	Very low	74 Å²	74	101.1 Å²	101.1	45%	0.454	59%	0.586	S	S	.	*			cis	-163.3	-161.9	-15.9	26.9	0	0	0	0	107.7	L1709	L1709-T2239 VanDerWaalsContact C-C 3.46Å; L1709-T2239 CarbonylContact C-O 3.46Å; L1709-T2239 CarbonylContact O-C 3.56Å; L1709-T2239 WeakPolarHBondContact O-CA 3.09Å; L1709-T2239 WeakPolarHBondContact O-CB 3.48Å; L1709-T2239 PolarHBondContact O-N 3.04Å; L1709-T2239 PolarHBondContact O-OG1 3.33Å
2240	H	27.5	Very low	31.4	Very low	85 Å²	85	99 Å²	99	39%	0.394	58%	0.577	S	S	.	*			trans	-142.6	119.8	172.5	178.1	-115.6	0	0	0	118.4	L143 R1708 L1709	L143-H2240 HydrophobicContact CD1-CB 4.04Å; L143-H2240 WeakPolarHBondContact CD1-O 3.43Å; R1708-H2240 CarbonylContact C-O 3.23Å; R1708-H2240 VanDerWaalsContact CA-O 3.29Å; R1708-H2240 WeakPolarHBondContact CA-O 3.38Å; L1709-H2240 VanDerWaalsContact C-CA 3.43Å; L1709-H2240 VanDerWaalsContact CA-C 3.46Å; L1709-H2240 PolarHBondContact N-O 2.94Å; L1709-H2240 VanDerWaalsContact N-O 3.11Å; L1709-H2240 PolarHBondContact O-N 3.46Å; L1709-H2240 VanDerWaalsContact O-N 3.12Å
2241	N	36.6	Very low	31.2	Very low	39 Å²	39	102.6 Å²	102.6	21%	0.209	58%	0.582	C	S	.	*			trans	49.4	155.4	175.1	-89.7	-70.5	0	0	0	120.9	R1708 L1709 R1710 S1711	R1708-N2241 CarbonylContact C-O 3.21Å; R1708-N2241 VanDerWaalsContact CA-O 3.26Å; R1708-N2241 WeakPolarHBondContact CA-O 3.28Å; R1708-N2241 WeakPolarHBondContact CB-O 2.98Å; R1708-N2241 WeakPolarHBondContact CG-O 3.1Å; L1709-N2241 VanDerWaalsContact C-N 3.25Å; L1709-N2241 PolarHBondContact N-O 3.22Å; R1710-N2241 WeakPolarHBondContact CD-OD1 3.13Å; R1710-N2241 VanDerWaalsContact CG-OD1 3.31Å; R1710-N2241 WeakPolarHBondContact CG-OD1 3.48Å; R1710-N2241 PolarHBondContact NE-OD1 3.13Å; S1711-N2241 PolarHBondContact O-ND2 3.4Å
2242	S	31.9	Very low	31.1	Very low	60 Å²	60	105 Å²	105	42%	0.42	58%	0.584	S	S	.	*			trans	-125.3	168.5	-156.9	52.5	0	0	0	0	118.6	P144	P144-S2242 WeakPolarHBondContact CG-O 3.38Å
2243	S	32.4	Very low	31.1	Very low	76 Å²	76	105.6 Å²	105.6	53%	0.531	58%	0.58	S	S	.	*			trans	-93.7	148.3	-169.9	-43.4	0	0	0	0	117.8
2244	D	31.5	Very low	31	Very low	72 Å²	72	104.5 Å²	104.5	39%	0.385	58%	0.575	S	S	.	*			trans	68.2	152.4	141.3	-59.3	-23.3	0	0	0	126.2	A147 T148	A147-D2244 VanDerWaalsContact C-OD2 3.23Å; A147-D2244 VanDerWaalsContact O-OD2 3.04Å; T148-D2244 PolarHBondContact N-OD2 3.28Å
2245	S	36.6	Very low	30.8	Very low	106 Å²	106	104.6 Å²	104.6	74%	0.741	58%	0.58	S	S	*	*			trans	88.5	115.1	161.5	75.6	0	0	0	0	120.9
2246	L	35.1	Very low	30.8	Very low	136 Å²	136	107.9 Å²	107.9	71%	0.712	60%	0.599	S	S	*	*			trans	45.9	140.8	133.2	-67.3	164.8	0	0	0	122.7
2247	C	28.3	Very low	30.5	Very low	128 Å²	128	111.5 Å²	111.5	87%	0.865	61%	0.611	S	S	*	*			trans	-110.3	146.8	176.8	-69.1	0	0	0	0	112.6
2248	V	27.1	Very low	30.2	Very low	132 Å²	132	114.1 Å²	114.1	80%	0.8	62%	0.615	S	S	*	*			trans	-154.3	130.9	147.7	125.1	0	0	0	0	112.2
2249	T	27.6	Very low	29.8	Very low	117 Å²	117	111.1 Å²	111.1	72%	0.718	61%	0.605	S	S	*	*			trans	48.6	116.6	161.5	60.4	0	0	0	0	123.4
2250	S	26.7	Very low	29.4	Very low	97 Å²	97	113.4 Å²	113.4	68%	0.678	61%	0.61	S	S	*	*			trans	60.9	116.1	133.2	62	0	0	0	0	121.4
2251	R	26.1	Very low	29.3	Very low	128 Å²	128	115.3 Å²	115.3	48%	0.483	62%	0.619	S	S	.	*				62.4	130.8	90.9	-59.7	177.2	-159	-160.7	9.9	113.5
2252	F	27.5	Very low	28.8	Very low	161 Å²	161	122.6 Å²	122.6	71%	0.706	65%	0.645	S	S	*	*			cis	-141.3	141.1	44.8	-96.7	-97.4	0	0	0	110.9
2253	N	27.1	Very low	28.5	Very low	92 Å²	92	124.7 Å²	124.7	49%	0.492	66%	0.655	S	S	.	*				58.3	137.9	101.7	-76.9	55.7	0	0	0	115	S1217	S1217-N2253 PolarHBondContact OG-ND2 3.11Å
2254	D	27.8	Very low	28.3	Very low	119 Å²	119	128 Å²	128	64%	0.636	67%	0.667	S	S	*	*			cis	-146.2	165.8	-1	-85.1	-46.8	0	0	0	107.3
2255	S	28.8	Very low	28	Very low	100 Å²	100	129.1 Å²	129.1	70%	0.699	68%	0.679	S	S	*	*				-178.2	159.7	61	-53.9	0	0	0	0	112.5
2256	I	30.5	Very low	27.5	Very low	159 Å²	159	128.4 Å²	128.4	82%	0.815	67%	0.673	S	S	*	*			trans	47.2	113.5	147.1	-57.2	157.7	0	0	0	118.1
2257	N	26.8	Very low	26.9	Very low	127 Å²	127	130.3 Å²	130.3	68%	0.679	68%	0.679	S	S	*	*			cis	89.9	142.6	17.5	-151.2	5.3	0	0	0	116.7
2258	Y	29.2	Very low	27.1	Very low	168 Å²	168	129.5 Å²	129.5	66%	0.659	67%	0.672	S	S	*	*			trans	75.9	139.5	178.6	-75.7	-111.3	0	0	0	117.7
2259	Y	27.4	Very low	26.9	Very low	158 Å²	158	128.7 Å²	128.7	62%	0.62	67%	0.667	S	S	*	*			cis	-167.1	167.1	-12.1	-131.1	-151.6	0	0	0	112.2
2260	Q	25.2	Very low	26.9	Very low	122 Å²	122	129.7 Å²	129.7	57%	0.57	67%	0.667	S	S	*	*			trans	15.2	151.1	141.6	-70.1	-174	-47.2	0	0	121.3
2261	E	25.9	Very low	26.9	Very low	124 Å²	124	131.4 Å²	131.4	58%	0.579	67%	0.669	S	S	*	*			cis	-173.3	175.3	13.7	-123.5	167.3	-170.7	0	0	112.5
2262	Y	25.3	Very low	27	Very low	192 Å²	192	128.7 Å²	128.7	75%	0.753	67%	0.669	S	S	*	*			trans	42.6	140.5	146.6	-72.8	-54.7	0	0	0	122.2
2263	T	25.4	Very low	27	Very low	104 Å²	104	125.6 Å²	125.6	64%	0.638	66%	0.655	S	S	*	*			cis	-167.9	172.6	-13.3	-13.2	0	0	0	0	109.4
2264	N	27.6	Very low	27.2	Very low	146 Å²	146	127.3 Å²	127.3	78%	0.781	66%	0.661	S	S	*	*			trans	72.4	149.6	166.8	-53.2	-17	0	0	0	115.5
2265	C	26.6	Very low	27.4	Very low	95 Å²	95	127.7 Å²	127.7	64%	0.642	66%	0.661	S	S	*	*			cis	-151.3	159.1	-7.6	-129.8	0	0	0	0	111.8
2266	C	25.6	Very low	27.3	Very low	91 Å²	91	129.7 Å²	129.7	62%	0.615	66%	0.664	S	S	*	*			trans	44.5	122.8	155.4	-57.7	0	0	0	0	122.6
2267	Q	23.2	Very low	27.3	Very low	177 Å²	177	129.8 Å²	129.8	83%	0.827	66%	0.661	S	S	*	*			trans	-38.8	173.8	149.9	-72.3	-166.5	-21	0	0	117.3
2268	P	31	Very low	27.5	Very low	111 Å²	111	127.7 Å²	127.7	72%	0.721	66%	0.657	S	S	*	*			cis	-133.8	167.8	7.6	18.1	8.3	0	0	0	118.9
2269	T	23.7	Very low	27.5	Very low	115 Å²	115	123.7 Å²	123.7	71%	0.706	65%	0.653	S	S	*	*			trans	-37.1	157.3	149.2	50.1	0	0	0	0	116
2270	I	26.7	Very low	27.7	Very low	137 Å²	137	121 Å²	121	70%	0.703	65%	0.649	S	S	*	*			cis	-166.1	173.2	7.1	-118.5	165.7	0	0	0	110.8
2271	N	27.6	Very low	27.8	Very low	134 Å²	134	117.4 Å²	117.4	72%	0.717	64%	0.637	S	S	*	*			trans	80.6	147.3	165.9	-76.3	-21.4	0	0	0	119.6
2272	S	27.7	Very low	28.3	Very low	71 Å²	71	117.1 Å²	117.1	50%	0.497	65%	0.649	S	S	.	*			cis	-174.3	162.4	-28.6	50.7	0	0	0	0	111.6
2273	F	28.3	Very low	28.8	Very low	95 Å²	95	112 Å²	112	42%	0.417	64%	0.638	S	S	.	*			trans	66.1	144.8	174.4	-63	-101.5	0	0	0	115.4	S2230 T2231 S2232	S2230-F2273 WeakPolarHBondContact O-CZ 3.26Å; S2230-F2273 WeakPolarHBondContact OG-CE2 3.04Å; S2230-F2273 WeakPolarHBondContact OG-CZ 3.07Å; T2231-F2273 WeakPolarHBondContact O-CE1 3.31Å; T2231-F2273 WeakPolarHBondContact O-CZ 2.97Å; T2231-F2273 WeakPolarHBondContact OG1-CE2 3.09Å; S2232-F2273 WeakPolarHBondContact OG-CE1 3.29Å
2274	Q	30.6	Very low	29.2	Very low	129 Å²	129	115.1 Å²	115.1	60%	0.603	65%	0.647	S	S	*	*			cis	-159.8	170.2	2.6	-132.1	172.2	-0.3	0	0	115.1
2275	I	32.4	Very low	29.5	Very low	126 Å²	126	112.8 Å²	112.8	65%	0.646	64%	0.642	S	S	*	*			trans	70.1	97.2	150.7	-69.8	156.6	0	0	0	120
2276	N	26.2	Very low	29.9	Very low	143 Å²	143	114.1 Å²	114.1	77%	0.765	65%	0.648	S	S	*	*				64.7	146	122.9	-62.4	-12.1	0	0	0	126.3
2277	Q	31.5	Very low	30.3	Very low	160 Å²	160	118.7 Å²	118.7	75%	0.748	66%	0.657	S	S	*	*			trans	80.5	89	148.1	-81.1	180	20.1	0	0	121.5
2278	S	30	Very low	30.7	Very low	84 Å²	84	116.1 Å²	116.1	59%	0.587	65%	0.653	S	S	*	*				77.2	140.6	114.7	62.4	0	0	0	0	122.5
2279	S	30.3	Very low	30.6	Very low	83 Å²	83	116.2 Å²	116.2	58%	0.58	66%	0.657	S	S	*	*			trans	71.8	142.4	142.7	56.3	0	0	0	0	119.9
2280	L	30.1	Very low	30.8	Very low	103 Å²	103	115.4 Å²	115.4	54%	0.539	66%	0.662	S	S	.	*			cis	-168	166.3	-9.2	-109.8	173.5	0	0	0	109.6	N1719	N1719-L2280 WeakPolarHBondContact OD1-CD1 3.41Å; N1719-L2280 WeakPolarHBondContact OD1-CD2 3.03Å
2281	S	28.7	Very low	30.9	Very low	46 Å²	46	118.2 Å²	118.2	32%	0.322	67%	0.669	S	S	.	*			trans	41.7	142.1	143.5	68.3	0	0	0	0	123.5	N1719	N1719-S2281 VanDerWaalsContact CG-CB 3.45Å; N1719-S2281 WeakPolarHBondContact ND2-CB 3.37Å; N1719-S2281 PolarHBondContact ND2-OG 3.12Å
2282	S	36.9	Very low	30.9	Very low	118 Å²	118	118.4 Å²	118.4	83%	0.825	67%	0.669	S	S	*	*			trans	-159.4	147.9	137.3	-55.2	0	0	0	0	110.9
2283	T	34.1	Very low	30.8	Very low	85 Å²	85	122.8 Å²	122.8	52%	0.521	68%	0.682	S	S	.	*			cis	-178.4	-175.4	-49.7	27.7	0	0	0	0	108.2
2284	M	35.5	Very low	30.7	Very low	169 Å²	169	122.8 Å²	122.8	83%	0.833	69%	0.694	S	S	*	*			trans	102.2	139.7	158.4	-58	-67.7	-178	0	0	115.9
2285	S	32.7	Very low	30.6	Very low	96 Å²	96	124.6 Å²	124.6	67%	0.671	70%	0.7	S	S	*	*			cis	-173.4	168.1	-24.9	48.9	0	0	0	0	105.2
2286	T	35.2	Very low	30.3	Very low	124 Å²	124	126.8 Å²	126.8	76%	0.761	71%	0.712	S	S	*	*			cis	-151.2	139.7	25.1	38.1	0	0	0	0	107.9
2287	K	34.6	Very low	30.1	Very low	187 Å²	187	124.2 Å²	124.2	81%	0.813	71%	0.705	S	S	*	*				73.1	114.8	76.4	-94	-170.2	177.1	-175.4	0	118.1
2288	T	32.1	Very low	29.9	Very low	122 Å²	122	127.8 Å²	127.8	75%	0.748	71%	0.712	S	S	*	*			trans	76	120.4	141.1	45.9	0	0	0	0	123.9
2289	S	28.3	Very low	29.8	Very low	113 Å²	113	128.6 Å²	128.6	79%	0.79	71%	0.713	S	S	*	*			trans	82.6	105.3	133.5	-59.5	0	0	0	0	121.8
2290	A	27.3	Very low	30	Very low	99 Å²	99	131 Å²	131	82%	0.818	72%	0.724	S	S	*	*			trans	64.1	119.8	144.1	0	0	0	0	0	121
2291	K	28.9	Very low	30.1	Very low	196 Å²	196	129.5 Å²	129.5	85%	0.852	72%	0.717	S	S	*	*			trans	68.2	119.3	162.8	-78.2	-175.3	175.1	178.6	0	119.4
2292	L	27.1	Very low	30.5	Very low	138 Å²	138	132.3 Å²	132.3	72%	0.723	73%	0.728	S	S	*	*			trans	72.9	81.9	137.9	-66.6	167.6	0	0	0	119.6
2293	Q	25.5	Very low	30.7	Very low	163 Å²	163	129.1 Å²	129.1	76%	0.762	70%	0.702	S	S	*	*				63.6	110.1	106.6	-80.5	-167.2	-7.4	0	0	120.5
2294	S	25.9	Very low	30.5	Very low	95 Å²	95	135 Å²	135	66%	0.664	72%	0.716	S	S	*	*				90.9	174.6	106.2	84	0	0	0	0	120.7
2295	K	29.1	Very low	30.2	Very low	166 Å²	166	131.1 Å²	131.1	72%	0.722	71%	0.706	S	S	*	*			trans	14	125.9	144.1	-86.9	-171.8	174.7	-174.1	0	117.6
2296	L	25.8	Very low	30.3	Very low	173 Å²	173	133.7 Å²	133.7	91%	0.906	71%	0.707	S	S	*	*			trans	-51.7	135.8	137.7	-80.1	156.5	0	0	0	110.1
2297	S	23.2	Very low	30.2	Very low	89 Å²	89	136.9 Å²	136.9	62%	0.622	71%	0.707	S	S	*	*			trans	-75.2	-176.8	-171.1	42.7	0	0	0	0	114.2
2298	W	27.4	Very low	29.9	Very low	235 Å²	235	132 Å²	132	89%	0.89	69%	0.689	S	S	*	*			trans	79.9	80.3	174	-53.2	89.6	0	0	0	116.7
2299	T	26.9	Very low	29.8	Very low	101 Å²	101	131.5 Å²	131.5	62%	0.62	69%	0.69	S	S	*	*			trans	-82.3	-174.2	139.3	46	0	0	0	0	109.9
2300	T	35	Very low	29.9	Very low	132 Å²	132	127.2 Å²	127.2	81%	0.81	66%	0.659	S	S	*	*			trans	-145.1	148.4	167.3	-52	0	0	0	0	108.5
2301	D	31	Very low	30.2	Very low	72 Å²	72	128.1 Å²	128.1	39%	0.385	65%	0.65	S	S	.	*			trans	-100.9	-130.1	-164.7	-69.6	-104.2	0	0	0	109.9	S2310	D2301-S2310 PolarHBondContact OD1-N 3.06Å
2302	D	37.9	Very low	30.4	Very low	105 Å²	105	126.2 Å²	126.2	56%	0.561	64%	0.644	S	S	*	*			cis	-161.3	152.9	3.3	-167.8	47.6	0	0	0	107.3	L2308 S2310	D2302-L2308 WeakPolarHBondContact OD1-CD1 3.41Å; D2302-L2308 WeakPolarHBondContact OD1-CD2 3.25Å; D2302-S2310 VanDerWaalsContact CA-OG 3.3Å; D2302-S2310 WeakPolarHBondContact CA-OG 3.37Å
2303	N	41.3	Very low	30.6	Very low	51 Å²	51	123.5 Å²	123.5	27%	0.273	64%	0.637	S	S	.	*			cis	-123.4	-143	-2.6	-148.5	-65.5	0	0	0	107.4	S2305 L2308 S2310 N2311	N2303-S2305 PolarHBondContact OD1-N 2.94Å; N2303-L2308 WeakPolarHBondContact OD1-CD2 3.45Å; N2303-S2310 WeakPolarHBondContact CA-OG 3.29Å; N2303-S2310 PolarHBondContact O-OG 3.06Å; N2303-S2310 VanDerWaalsContact O-OG 3.05Å; N2303-N2311 PolarHBondContact O-ND2 3.18Å
2304	Y	29.6	Very low	30.8	Very low	209 Å²	209	123.6 Å²	123.6	82%	0.82	64%	0.637	S	S	*	*	S	Bend	cis	-145.5	105.8	26.9	-99.7	-75.1	0	0	0	110.9
2305	S	29.5	Very low	30.9	Very low	88 Å²	88	125.6 Å²	125.6	62%	0.615	64%	0.64	S	S	*	*	S	Bend	trans	60.3	138.5	172.4	65.5	0	0	0	0	117.2	N2303	N2303-S2305 PolarHBondContact OD1-N 2.94Å
2306	E	34.3	Very low	30.8	Very low	150 Å²	150	123 Å²	123	70%	0.701	64%	0.643	S	S	*	*	S	Bend	cis	-159.6	117.8	-13.2	-118.7	172.4	75.1	0	0	106.6
2307	Y	34.4	Very low	30.9	Very low	190 Å²	190	124.7 Å²	124.7	75%	0.745	64%	0.639	S	S	*	*	S	Bend	cis	-112.9	-179.3	-7.8	-79.6	-84.6	0	0	0	111.5
2308	L	27.4	Very low	31	Very low	85 Å²	85	126.2 Å²	126.2	45%	0.445	64%	0.639	S	S	.	*			trans	-83.2	137	-146.2	-52	171.6	0	0	0	114.7	D2302 N2303	D2302-L2308 WeakPolarHBondContact OD1-CD1 3.41Å; D2302-L2308 WeakPolarHBondContact OD1-CD2 3.25Å; N2303-L2308 WeakPolarHBondContact OD1-CD2 3.45Å
2309	C	30.5	Very low	30.9	Very low	112 Å²	112	123.1 Å²	123.1	76%	0.757	64%	0.635	S	S	*	*			cis	51.1	83.2	-7.5	-81.1	0	0	0	0	118
2310	S	29.5	Very low	31	Very low	22 Å²	22	123.2 Å²	123.2	15%	0.154	64%	0.639	C	S	.	*				-114.9	118.9	117.3	-72.1	0	0	0	0	112.4	D2301 D2302 N2303	D2301-S2310 PolarHBondContact OD1-N 3.06Å; D2302-S2310 VanDerWaalsContact CA-OG 3.3Å; D2302-S2310 WeakPolarHBondContact CA-OG 3.37Å; N2303-S2310 WeakPolarHBondContact CA-OG 3.29Å; N2303-S2310 PolarHBondContact O-OG 3.06Å; N2303-S2310 VanDerWaalsContact O-OG 3.05Å
2311	N	34.7	Very low	30.6	Very low	118 Å²	118	124.1 Å²	124.1	63%	0.631	64%	0.639	S	S	*	*				58.3	135.8	120	-56	-31	0	0	0	120.9	N2303	N2303-N2311 PolarHBondContact O-ND2 3.18Å
2312	H	33.2	Very low	30.5	Very low	157 Å²	157	131.5 Å²	131.5	73%	0.727	66%	0.662	S	S	*	*			cis	-165.6	173.3	-22.7	-150.2	-101.7	0	0	0	109.3
2313	S	30.5	Very low	29.9	Very low	81 Å²	81	134.3 Å²	134.3	57%	0.566	68%	0.676	S	S	*	*			trans	32	101.9	155.8	46.7	0	0	0	0	118.7
2314	Q	30.6	Very low	29.4	Very low	164 Å²	164	136.9 Å²	136.9	77%	0.766	69%	0.693	S	S	*	*				79.3	133.6	76.4	-79.9	-178.2	13.2	0	0	115.8
2315	N	26.1	Very low	29.2	Very low	137 Å²	137	132.5 Å²	132.5	73%	0.733	68%	0.684	S	S	*	*			trans	57.2	123.2	141.2	-55	-25.6	0	0	0	118
2316	S	28.6	Very low	29.1	Very low	111 Å²	111	133.7 Å²	133.7	78%	0.776	68%	0.683	S	S	*	*				-172.3	147	61.1	38.1	0	0	0	0	115
2317	Y	26.8	Very low	28.7	Very low	209 Å²	209	131.5 Å²	131.5	82%	0.82	68%	0.676	S	S	*	*			trans	39.9	119.1	141.4	-99.5	-131.5	0	0	0	122.5
2318	I	25.3	Very low	28.3	Very low	122 Å²	122	129.3 Å²	129.3	63%	0.626	68%	0.677	S	S	*	*				83.4	115.8	126.1	-79.5	-169.2	0	0	0	120.9
2319	Q	26.2	Very low	28.2	Very low	170 Å²	170	130.5 Å²	130.5	79%	0.794	69%	0.693	S	S	*	*			trans	87.1	131.7	140.4	-86	176.9	8.3	0	0	124.3
2320	S	28.3	Very low	28	Very low	103 Å²	103	129.5 Å²	129.5	72%	0.72	69%	0.687	S	S	*	*			trans	84.1	44.9	136.1	-58.6	0	0	0	0	120.6
2321	N	26	Very low	27.9	Very low	150 Å²	150	135.6 Å²	135.6	80%	0.802	72%	0.718	S	S	*	*				-28.9	141.4	119.6	-103.4	-49.8	0	0	0	112.8
2322	R	29.5	Very low	27.5	Very low	228 Å²	228	136.1 Å²	136.1	86%	0.86	72%	0.721	S	S	*	*			cis	-144.6	152.2	19.9	-61.2	179.6	167.8	147.8	-3.1	111.9
2323	L	26	Very low	27.4	Very low	164 Å²	164	134.2 Å²	134.2	86%	0.859	72%	0.716	S	S	*	*			trans	-119.5	121.3	164.6	-89	172.6	0	0	0	112.9
2324	V	29.8	Very low	27.5	Very low	105 Å²	105	136.9 Å²	136.9	64%	0.636	72%	0.724	S	S	*	*			trans	19.5	107.5	134.7	-177.1	0	0	0	0	118.5
2325	N	26.4	Very low	27.8	Very low	117 Å²	117	135 Å²	135	63%	0.626	72%	0.719	S	S	*	*			trans	66.7	116.6	144	-82.2	-45.9	0	0	0	122
2326	N	26.9	Very low	28.2	Very low	113 Å²	113	135.3 Å²	135.3	60%	0.604	72%	0.719	S	S	*	*				93.4	138.4	115.5	-80.4	-25.8	0	0	0	123.1
2327	N	26.3	Very low	28.4	Very low	103 Å²	103	137.3 Å²	137.3	55%	0.551	72%	0.716	S	S	*	*			trans	75.4	102.8	151.1	-53.2	-26.2	0	0	0	118.1	K1225	K1225-N2327 PolarHBondContact NZ-OD1 3.4Å
2328	N	25	Very low	28.4	Very low	144 Å²	144	136.1 Å²	136.1	77%	0.77	72%	0.72	S	S	*	*				42.3	141.2	115.3	-60.6	22	0	0	0	121.3
2329	S	25.7	Very low	28.7	Very low	110 Å²	110	135.4 Å²	135.4	77%	0.769	72%	0.717	S	S	*	*			trans	62.9	135.9	149.7	57.7	0	0	0	0	117.2
2330	S	27.3	Very low	28.9	Very low	92 Å²	92	136.5 Å²	136.5	64%	0.643	71%	0.714	S	S	*	*			cis	177.7	148.3	-6.5	43.3	0	0	0	0	105.7
2331	N	26.9	Very low	29.1	Very low	150 Å²	150	138.1 Å²	138.1	80%	0.802	72%	0.715	S	S	*	*			trans	66.2	154.5	168.2	-59.9	15.7	0	0	0	115.2
2332	N	25.3	Very low	29.3	Very low	128 Å²	128	136.5 Å²	136.5	68%	0.684	71%	0.706	S	S	*	*			cis	-168.7	-177.1	-38.3	-138.9	59.3	0	0	0	106.9
2333	D	31.1	Very low	29.2	Very low	118 Å²	118	136 Å²	136	63%	0.631	70%	0.704	S	S	*	*			trans	74.1	134	153.9	-49.2	-32.1	0	0	0	120.3
2334	N	33.7	Very low	29.3	Very low	137 Å²	137	133.9 Å²	133.9	73%	0.733	70%	0.699	S	S	*	*			trans	80.3	130.5	160.3	-43.7	-62.1	0	0	0	118.2
2335	L	36.5	Very low	29.1	Very low	124 Å²	124	135.9 Å²	135.9	65%	0.649	71%	0.705	S	S	*	*	S	Bend	cis	-166.9	161.3	-11.8	-109.4	-174.9	0	0	0	105.6	E2337	L2335-E2337 HydrophobicContact CD2-CB 3.8Å; L2335-E2337 HydrophobicContact CD2-CG 4.49Å
2336	I	35.4	Very low	29.2	Very low	143 Å²	143	138 Å²	138	73%	0.733	72%	0.715	S	S	*	*			cis	-130.9	141.6	4.2	-53.2	172.6	0	0	0	106.1
2337	E	31.7	Very low	29.2	Very low	153 Å²	153	136.6 Å²	136.6	72%	0.715	71%	0.705	S	S	*	*			cis	91.6	42.3	15	-144.2	172	138.9	0	0	117.1	L2335	L2335-E2337 HydrophobicContact CD2-CB 3.8Å; L2335-E2337 HydrophobicContact CD2-CG 4.49Å
2338	M	27.9	Very low	29.2	Very low	184 Å²	184	135.4 Å²	135.4	91%	0.906	69%	0.693	S	S	*	*			trans	-107.6	132.1	145	-75	-167.6	-172.7	0	0	108.1
2339	D	30.8	Very low	29.3	Very low	107 Å²	107	132.6 Å²	132.6	57%	0.572	68%	0.678	S	S	*	*			cis	-143.3	166	-6.9	-159.7	13.2	0	0	0	111.6
2340	R	31.1	Very low	29.3	Very low	194 Å²	194	132.2 Å²	132.2	73%	0.732	67%	0.674	S	S	*	*			trans	-7.6	144.5	164.2	-68.5	151.5	-165.5	130.1	-2.3	118.1
2341	N	31.8	Very low	29.3	Very low	136 Å²	136	132.9 Å²	132.9	73%	0.727	68%	0.679	S	S	*	*			cis	-161.2	142	14.4	-123.8	-25.7	0	0	0	115.8
2342	N	29.7	Very low	29.6	Very low	117 Å²	117	130 Å²	130	63%	0.626	67%	0.67	S	S	*	*			trans	1.3	127.3	153.7	-81.8	-75.4	0	0	0	123.1
2343	R	27.3	Very low	29.9	Very low	216 Å²	216	131.7 Å²	131.7	82%	0.815	67%	0.674	S	S	*	*				87.5	147.4	120	-77.4	176	-178	-160.1	-2.5	123.8
2344	T	28.2	Very low	29.9	Very low	121 Å²	121	131.5 Å²	131.5	74%	0.742	67%	0.673	S	S	*	*			trans	71.9	116.3	148.2	38.1	0	0	0	0	121
2345	N	26.4	Very low	29.8	Very low	146 Å²	146	130.1 Å²	130.1	78%	0.781	67%	0.665	S	S	*	*				10.6	124.4	127	-63.8	-11.9	0	0	0	117.2
2346	I	29.4	Very low	29.3	Very low	163 Å²	163	128.7 Å²	128.7	84%	0.836	66%	0.664	S	S	*	*				177.8	176.3	117.7	-91.3	156.7	0	0	0	108.1
2347	Q	26.3	Very low	29	Very low	83 Å²	83	131.7 Å²	131.7	39%	0.388	67%	0.668	S	S	.	*			trans	-98.1	167.7	-169.3	-57.8	149.6	-39.8	0	0	111.8	N707 D708	N707-Q2347 VanDerWaalsContact CB-OE1 3.29Å; N707-Q2347 PolarHBondContact ND2-NE2 3.27Å; D708-Q2347 PolarHBondContact OD2-OE1 2.88Å
2348	R	25.7	Very low	29	Very low	77 Å²	77	129.2 Å²	129.2	29%	0.291	66%	0.663	S	S	.	*			trans	80.9	128.1	152.2	-77.2	172.6	-145.3	82	25.9	121.9	L705 S706	L705-R2348 HydrophobicContact CB-CG 3.87Å; L705-R2348 HydrophobicContact CD1-CG 4.09Å; L705-R2348 HydrophobicContact CD2-CG 4.38Å; L705-R2348 HydrophobicContact CG-CG 4.34Å; S706-R2348 PolarHBondContact O-NE 3.43Å; S706-R2348 PolarHBondContact O-NH1 2.78Å; S706-R2348 PolarHBondContact O-NH2 2.78Å
2349	N	26.7	Very low	29	Very low	85 Å²	85	126.7 Å²	126.7	46%	0.455	65%	0.653	S	S	.	*				74.4	120.7	126.5	-61.1	3.9	0	0	0	121.7	I704	I704-N2349 WeakPolarHBondContact CG2-ND2 3.13Å
2350	C	26.3	Very low	28.9	Very low	102 Å²	102	130.3 Å²	130.3	69%	0.689	66%	0.664	S	S	*	*				50.6	109.3	120.6	-50.1	0	0	0	0	120
2351	S	27.8	Very low	28.8	Very low	106 Å²	106	128.6 Å²	128.6	74%	0.741	67%	0.665	S	S	*	*				-170.6	137.9	107.5	-94.2	0	0	0	0	107
2352	S	31.9	Very low	28.6	Very low	90 Å²	90	128.1 Å²	128.1	63%	0.629	66%	0.662	S	S	*	*				61.8	137.5	50.5	86.1	0	0	0	0	112.1
2353	E	32.7	Very low	28.4	Very low	163 Å²	163	129 Å²	129	76%	0.762	67%	0.667	S	S	*	*			cis	-162.1	-158.4	10.4	-147	161.7	-113	0	0	110.6
2354	L	31.2	Very low	28.3	Very low	115 Å²	115	124.5 Å²	124.5	60%	0.602	66%	0.663	S	S	*	*			trans	110.6	130.6	160.7	-83.4	88.3	0	0	0	118.4	F1494	F1494-L2354 HydrophobicContact CE1-CD1 3.8Å; F1494-L2354 HydrophobicContact CE1-CD2 3.68Å; F1494-L2354 HydrophobicContact CE1-CG 4.23Å; F1494-L2354 HydrophobicContact CZ-CD2 3.97Å
2355	N	30.2	Very low	28.3	Very low	108 Å²	108	124 Å²	124	58%	0.578	66%	0.661	S	S	*	*			cis	-161.3	154.8	-11.4	-142.6	4.9	0	0	0	116
2356	C	26.6	Very low	28.4	Very low	93 Å²	93	125.2 Å²	125.2	63%	0.628	66%	0.662	S	S	*	*			trans	45.7	141	152.7	-69.8	0	0	0	0	121.3
2357	Y	29.6	Very low	28.3	Very low	206 Å²	206	123.8 Å²	123.8	81%	0.808	66%	0.655	S	S	*	*				-163	133.7	69.1	-114	-101.8	0	0	0	113.6
2358	T	30.8	Very low	28.5	Very low	101 Å²	101	127 Å²	127	62%	0.62	67%	0.67	S	S	*	*			trans	46.7	150.4	141	59.9	0	0	0	0	122.7
2359	N	29	Very low	28.8	Very low	131 Å²	131	128.9 Å²	128.9	70%	0.701	69%	0.686	S	S	*	*			cis	-173.6	149.7	-9.3	-106.8	-12.6	0	0	0	111.9
2360	F	27.3	Very low	28.9	Very low	183 Å²	183	132.4 Å²	132.4	80%	0.803	70%	0.702	S	S	*	*			trans	66.7	147.8	143.6	-93.2	-91	0	0	0	125.7
2361	Q	29.5	Very low	29.2	Very low	158 Å²	158	133 Å²	133	74%	0.738	70%	0.698	S	S	*	*			trans	84.1	113.9	153.9	-71	-163.9	18.3	0	0	123.8
2362	N	27.6	Very low	29.4	Very low	126 Å²	126	135 Å²	135	67%	0.674	70%	0.695	S	S	*	*				53.5	125.1	121.7	-57.3	-3.7	0	0	0	124
2363	N	25.2	Very low	29.4	Very low	137 Å²	137	137.4 Å²	137.4	73%	0.733	70%	0.7	S	S	*	*				65.8	129.1	129	-65.9	5.2	0	0	0	123.7
2364	T	26.4	Very low	29.3	Very low	120 Å²	120	135.8 Å²	135.8	74%	0.736	70%	0.696	S	S	*	*			trans	72.9	136.3	135.5	51.2	0	0	0	0	123.2
2365	T	28.3	Very low	29.2	Very low	111 Å²	111	135.5 Å²	135.5	68%	0.681	70%	0.699	S	S	*	*			trans	62.5	108.9	145	50.5	0	0	0	0	121.4
2366	Q	28	Very low	29	Very low	172 Å²	172	137.4 Å²	137.4	80%	0.804	71%	0.709	S	S	*	*				51.9	158.3	114.5	-71.1	-173	-36.5	0	0	122.8
2367	L	27.3	Very low	30	Very low	133 Å²	133	137.9 Å²	137.9	70%	0.696	71%	0.711	S	S	*	*			trans	93	97.3	156.5	-67.7	124.1	0	0	0	119.7
2368	E	30	Very low	30.1	Very low	150 Å²	150	135.2 Å²	135.2	70%	0.701	71%	0.71	S	S	*	*				79.3	115.9	114.9	-73.1	-163	-152.3	0	0	123.5
2369	N	31.7	Very low	30	Very low	116 Å²	116	137.1 Å²	137.1	62%	0.62	72%	0.716	S	S	*	*				76.1	122.8	116.6	-67.2	-24.3	0	0	0	123.9
2370	M	30.6	Very low	30.2	Very low	160 Å²	160	137.6 Å²	137.6	79%	0.788	72%	0.717	S	S	*	*			trans	69.9	159.2	135.8	-58.4	-62.7	-175.1	0	0	118.1
2371	D	31.2	Very low	30.2	Very low	115 Å²	115	133.5 Å²	133.5	62%	0.615	71%	0.711	S	S	*	*			cis	-157.6	172.9	12.4	-143.4	-32.5	0	0	0	113.8
2372	H	32.6	Very low	30.3	Very low	147 Å²	147	134 Å²	134	68%	0.681	72%	0.718	S	S	*	*			trans	69	157.1	153.1	-69.5	8	0	0	0	119.7
2373	I	31.8	Very low	30.4	Very low	141 Å²	141	132 Å²	132	72%	0.723	72%	0.719	S	S	*	*			cis	-169.5	167.2	-18.2	-105.2	169.1	0	0	0	107.2
2374	N	29.9	Very low	30.8	Very low	128 Å²	128	130.1 Å²	130.1	68%	0.684	72%	0.717	S	S	*	*			cis	-175.8	167.9	-46.4	-162.3	-8.6	0	0	0	109.2
2375	T	30.5	Very low	31.1	Very low	110 Å²	110	128.9 Å²	128.9	68%	0.675	71%	0.713	S	S	*	*			trans	70.4	133.1	162.7	56.8	0	0	0	0	120.4
2376	N	26.2	Very low	31.3	Very low	147 Å²	147	131.5 Å²	131.5	79%	0.786	72%	0.718	S	S	*	*				81	152	55.5	-92.1	-32.9	0	0	0	114.2
2377	P	46	Very low	32	Very low	103 Å²	103	127 Å²	127	67%	0.669	70%	0.703	S	S	*	*			cis	-151.4	179.3	36.1	45.1	-25	0	0	0	120.6
2378	L	31.6	Very low	32.2	Very low	150 Å²	150	128.9 Å²	128.9	79%	0.785	71%	0.706	S	S	*	*			trans	68.5	129.7	146.8	-80.8	164.2	0	0	0	119.4
2379	L	30.3	Very low	32.1	Very low	142 Å²	142	128.6 Å²	128.6	74%	0.743	71%	0.709	S	S	*	*			cis	-161.5	157.8	40.2	-102	164.3	0	0	0	114.1
2380	I	31.7	Very low	31.8	Very low	140 Å²	140	131.6 Å²	131.6	72%	0.718	72%	0.721	S	S	*	*			trans	79.5	114.4	148.8	-67.6	161	0	0	0	122.5
2381	S	28.6	Very low	32.3	Very low	98 Å²	98	129.5 Å²	129.5	69%	0.685	72%	0.722	S	S	*	*			trans	70.1	112.3	145.8	73	0	0	0	0	125.8
2382	L	30.9	Very low	32.1	Very low	167 Å²	167	129 Å²	129	87%	0.874	73%	0.728	S	S	*	*				82.6	94.2	127.3	-66.7	169.5	0	0	0	122.9
2383	A	29.9	Very low	32	Very low	85 Å²	85	131.1 Å²	131.1	70%	0.702	74%	0.735	S	S	*	*				52.8	124	129.9	0	0	0	0	0	121.5
2384	S	33.1	Very low	31.9	Very low	98 Å²	98	131.9 Å²	131.9	69%	0.685	74%	0.741	S	S	*	*			cis	85.3	123.6	39.6	77.4	0	0	0	0	114.8
2385	S	33.5	Very low	31.9	Very low	94 Å²	94	131.3 Å²	131.3	66%	0.657	74%	0.742	S	S	*	*			cis	83.5	138.6	33.8	80.6	0	0	0	0	114.8
2386	Q	31.7	Very low	32	Very low	166 Å²	166	132.2 Å²	132.2	78%	0.776	75%	0.748	S	S	*	*			cis	-165	174.3	-3	-116	167.7	-110.9	0	0	110.2
2387	P	42.4	Very low	32.2	Very low	76 Å²	76	129.8 Å²	129.8	49%	0.494	74%	0.742	S	S	.	*			trans	-84.6	-176.1	176.8	36.5	-33.8	0	0	0	112.7
2388	F	32.8	Very low	31.5	Very low	173 Å²	173	132 Å²	132	76%	0.759	75%	0.747	S	S	*	*			trans	-179.8	-153.7	132.4	-111.5	-99.1	0	0	0	115.4
2389	L	27.2	Very low	31.3	Very low	145 Å²	145	129.3 Å²	129.3	76%	0.759	74%	0.741	S	S	*	*			trans	-110.6	-176.5	-141	-84.4	175.9	0	0	0	118.6
2390	M	26.1	Very low	31.2	Very low	178 Å²	178	128.4 Å²	128.4	88%	0.877	74%	0.741	S	S	*	*			trans	-42	164.3	-179.9	-59.6	-177	69.4	0	0	119.3
2391	S	40.4	Very low	31.2	Very low	116 Å²	116	127.7 Å²	127.7	81%	0.811	74%	0.743	S	S	*	*			trans	-97.8	168.2	-174.8	54.2	0	0	0	0	115.5
2392	S	28.1	Very low	31.2	Very low	106 Å²	106	127.8 Å²	127.8	74%	0.741	74%	0.744	S	S	*	*			trans	-153.2	141.7	165.3	27.1	0	0	0	0	114.3
2393	F	29.4	Very low	31.2	Very low	191 Å²	191	128.5 Å²	128.5	84%	0.838	74%	0.743	S	S	*	*			trans	9	135	160.4	-53.1	-81	0	0	0	122.9
2394	N	29.3	Very low	31.3	Very low	157 Å²	157	132.6 Å²	132.6	84%	0.84	75%	0.748	S	S	*	*				-175.4	-176.4	92	-107.7	-26.4	0	0	0	114
2395	T	30.5	Very low	31.2	Very low	115 Å²	115	133.9 Å²	133.9	71%	0.706	75%	0.751	S	S	*	*			trans	-132.4	153.4	-165.4	53.5	0	0	0	0	115.9
2396	T	32	Very low	31.4	Very low	130 Å²	130	134 Å²	134	80%	0.798	75%	0.75	S	S	*	*			trans	64.2	147.5	156	47.5	0	0	0	0	119.1
2397	S	31	Very low	31.6	Very low	96 Å²	96	136.2 Å²	136.2	67%	0.671	75%	0.753	S	S	*	*			cis	-176.6	167.7	-12.9	52.3	0	0	0	0	112.4
2398	I	30.8	Very low	31.2	Very low	150 Å²	150	135.9 Å²	135.9	77%	0.769	75%	0.752	S	S	*	*			trans	111.6	117.4	151.6	-67	164.5	0	0	0	119.6
2399	S	27	Very low	31.3	Very low	93 Å²	93	128.5 Å²	128.5	65%	0.65	72%	0.722	S	S	*	*			trans	40.8	136.2	151	73.5	0	0	0	0	126.3
2400	T	28.2	Very low	31.5	Very low	122 Å²	122	130.1 Å²	130.1	75%	0.748	72%	0.719	S	S	*	*			trans	86.5	143.2	136.4	38.2	0	0	0	0	123.3
2401	T	31.4	Very low	31.7	Very low	125 Å²	125	127 Å²	127	77%	0.767	70%	0.702	S	S	*	*			trans	73.6	114.1	157	38.5	0	0	0	0	121.9
2402	S	30.5	Very low	31.1	Very low	100 Å²	100	126.6 Å²	126.6	70%	0.699	69%	0.69	S	S	*	*			trans	68.7	131.8	136.6	52.8	0	0	0	0	123.7
2403	E	31.1	Very low	30.9	Very low	183 Å²	183	127.6 Å²	127.6	86%	0.855	69%	0.692	S	S	*	*			trans	75.1	63.4	136	-66.2	176.1	176.4	0	0	121.2
2404	Q	31.2	Very low	31.4	Very low	171 Å²	171	123.4 Å²	123.4	80%	0.799	68%	0.684	S	S	*	*				29.7	129.5	116.1	-74.7	-166.9	1.6	0	0	122.2
2405	T	31.9	Very low	31.3	Very low	124 Å²	124	122.7 Å²	122.7	76%	0.761	69%	0.685	S	S	*	*			trans	76.9	164.7	136.2	65.9	0	0	0	0	118.2
2406	P	37.5	Very low	31.3	Very low	97 Å²	97	121.7 Å²	121.7	63%	0.63	68%	0.683	S	S	*	*			cis	-136.5	-176.9	12.8	29.4	-3.7	0	0	0	118.5
2407	Y	35.2	Very low	31.2	Very low	213 Å²	213	121.7 Å²	121.7	84%	0.835	68%	0.678	S	S	*	*			trans	72.5	140.9	170.3	-59.9	-83.6	0	0	0	118.9
2408	S	33.7	Very low	31.3	Very low	68 Å²	68	120.2 Å²	120.2	48%	0.476	67%	0.665	S	S	.	*			cis	-159.4	171.8	-22.5	70	0	0	0	0	114.4
2409	S	34.6	Very low	31.3	Very low	18 Å²	18	117.2 Å²	117.2	13%	0.126	65%	0.654	C	S	.	*			trans	-89.3	179.5	-154.1	42.3	0	0	0	0	115.4	R749	R749-S2409 WeakPolarHBondContact CD-O 3.19Å; R749-S2409 WeakPolarHBondContact CG-O 3.33Å; R749-S2409 VanDerWaalsContact CZ-O 3.28Å; R749-S2409 PolarHBondContact NE-O 3.25Å; R749-S2409 VanDerWaalsContact NE-O 3.12Å
2410	Y	32.8	Very low	31.3	Very low	180 Å²	180	115.9 Å²	115.9	71%	0.706	64%	0.637	S	S	*	*			cis	-155.4	169.4	31.3	-67.4	-99.2	0	0	0	110.6
2411	H	29.7	Very low	31.4	Very low	113 Å²	113	117 Å²	117	52%	0.523	63%	0.634	S	S	.	*			cis	-163	166.7	-42.2	-145.3	-85	0	0	0	109	K750	K750-H2411 VanDerWaalsContact CD-CD2 3.45Å; K750-H2411 WeakPolarHBondContact CD-CD2 3.18Å; K750-H2411 PolarHBondContact NZ-CD2 3.15Å; K750-H2411 VanDerWaalsContact NZ-CD2 3.27Å; K750-H2411 PolarHBondContact NZ-NE2 3.38Å
2412	L	26.4	Very low	31.4	Very low	107 Å²	107	117.4 Å²	117.4	56%	0.56	63%	0.63	S	S	*	*			trans	-93.9	148.3	175.5	-89.4	168.1	0	0	0	113.3	I751	I751-L2412 HydrophobicContact CG2-CD1 4Å
2413	T	25.8	Very low	31.4	Very low	127 Å²	127	116.4 Å²	116.4	78%	0.779	62%	0.623	S	S	*	*			trans	67.9	178.4	153.1	66.6	0	0	0	0	116.3
2414	P	39.4	Very low	31.5	Very low	103 Å²	103	115.4 Å²	115.4	67%	0.669	62%	0.618	S	S	*	*				-136.9	-165.5	-101.5	37.5	-14	0	0	0	114.7
2415	T	26.2	Very low	31.5	Very low	141 Å²	141	117.5 Å²	117.5	87%	0.865	62%	0.619	S	S	*	*			trans	71.1	153.2	179.3	78.8	0	0	0	0	113.9
2416	S	30.1	Very low	31.5	Very low	95 Å²	95	114.5 Å²	114.5	66%	0.664	61%	0.613	S	S	*	*			cis	-143.8	166.8	12.1	68.3	0	0	0	0	113.2
2417	N	30.2	Very low	31.2	Very low	129 Å²	129	117.1 Å²	117.1	69%	0.69	62%	0.62	S	S	*	*			trans	70.7	113.6	147.8	-81	5.2	0	0	0	122.1
2418	T	33.4	Very low	30.8	Very low	65 Å²	65	115.3 Å²	115.3	40%	0.399	62%	0.619	S	S	.	*				68.5	130.4	129.4	44.4	0	0	0	0	121.8	P1671 Q1672	P1671-T2418 CarbonylContact C-O 3.55Å; P1671-T2418 VanDerWaalsContact C-O 3.27Å; P1671-T2418 WeakPolarHBondContact CA-O 3.21Å; P1671-T2418 VanDerWaalsContact CB-O 3.3Å; P1671-T2418 WeakPolarHBondContact CB-O 3.27Å; Q1672-T2418 WeakPolarHBondContact CA-O 3.3Å; Q1672-T2418 WeakPolarHBondContact CB-O 3.12Å; Q1672-T2418 VanDerWaalsContact CD-OG1 3.24Å; Q1672-T2418 WeakPolarHBondContact CG-O 3.02Å; Q1672-T2418 PolarHBondContact N-O 2.79Å; Q1672-T2418 PolarHBondContact OE1-OG1 2.68Å
2419	V	31.3	Very low	30.3	Very low	87 Å²	87	119.8 Å²	119.8	53%	0.527	63%	0.632	S	S	.	*	B	Isolated β-bridge	trans	46.7	90.5	136.9	-166.6	0	0	0	0	123.9	S1670 P1671 Q1672	S1670-V2419 CarbonylContact O-C 2.92Å; P1671-V2419 CarbonylContact C-O 3.27Å; P1671-V2419 CarbonylContact O-C 3.03Å; Q1672-V2419 WeakPolarHBondContact CA-O 3.39Å; Q1672-V2419 HydrophobicContact CG-CB 4.08Å; Q1672-V2419 WeakPolarHBondContact CG-O 3.12Å; Q1672-V2419 PolarHBondContact N-O 2.85Å
2420	H	26.8	Very low	29.9	Very low	65 Å²	65	126.1 Å²	126.1	30%	0.301	66%	0.662	S	S	.	*				93.6	148.9	70.7	-123.8	-93.4	0	0	0	114.6	E1668 N1669 S1670 P1671	E1668-H2420 PolarHBondContact O-CE1 3.47Å; N1669-H2420 VanDerWaalsContact C-CD2 3.5Å; N1669-H2420 VanDerWaalsContact C-CE1 3.43Å; N1669-H2420 VanDerWaalsContact C-NE2 3.34Å; N1669-H2420 PolarHBondContact O-CE1 3.36Å; N1669-H2420 VanDerWaalsContact O-CG 3.25Å; N1669-H2420 PolarHBondContact O-ND1 3.49Å; S1670-H2420 WeakPolarHBondContact O-CA 2.92Å; S1670-H2420 WeakPolarHBondContact O-CB 3.28Å; S1670-H2420 PolarHBondContact O-CD2 2.63Å; S1670-H2420 PolarHBondContact O-N 3.48Å; P1671-H2420 VanDerWaalsContact CA-N 3.29Å; P1671-H2420 PolarHBondContact O-N 2.76Å
2421	Q	30.5	Very low	29.4	Very low	145 Å²	145	124.2 Å²	124.2	68%	0.678	66%	0.664	S	S	*	*			trans	70.7	175.4	141.8	-131.8	176.4	80.5	0	0	113.5
2422	I	30.7	Very low	29.5	Very low	134 Å²	134	127.5 Å²	127.5	69%	0.687	68%	0.677	S	S	*	*			cis	-136	163.6	5.4	-17	178.1	0	0	0	105.9
2423	S	30	Very low	29.4	Very low	80 Å²	80	129.4 Å²	129.4	56%	0.559	69%	0.685	S	S	*	*			cis	-178.5	165.6	42	-146.9	0	0	0	0	107.4
2424	Q	33.7	Very low	29.7	Very low	161 Å²	161	129.6 Å²	129.6	75%	0.752	68%	0.681	S	S	*	*			cis	-155.3	164.6	36	-63.8	-174.7	34	0	0	110.1
2425	R	31	Very low	29.3	Very low	215 Å²	215	130.7 Å²	130.7	81%	0.811	68%	0.681	S	S	*	*			cis	-168.7	156.3	-17.9	-103.2	171.3	-178.8	-176.4	-3.8	108.5
2426	G	31.7	Very low	29.6	Very low	61 Å²	61	127.9 Å²	127.9	63%	0.629	66%	0.66	S	S	*	*			trans	143.6	93.5	172.3	0	0	0	0	0	111.4
2427	I	31.2	Very low	29.4	Very low	153 Å²	153	128.4 Å²	128.4	79%	0.785	65%	0.652	S	S	*	*				71.4	118.1	81.8	-65	169	0	0	0	110.6
2428	E	27.3	Very low	29.3	Very low	174 Å²	174	127.4 Å²	127.4	81%	0.813	66%	0.655	S	S	*	*			cis	-160.6	-176.6	-0.6	-128.4	166.3	-163.3	0	0	112.7
2429	Q	24.5	Very low	29.3	Very low	162 Å²	162	127 Å²	127	76%	0.757	65%	0.65	S	S	*	*			trans	-119.3	169.1	166.4	-72.7	-170.1	-13.9	0	0	111
2430	M	24.4	Very low	29.7	Very low	151 Å²	151	129.5 Å²	129.5	74%	0.744	66%	0.661	S	S	*	*			trans	79.1	109.5	164.4	-59.4	-176.3	-93.4	0	0	116.2
2431	N	24.2	Very low	29.7	Very low	140 Å²	140	133.9 Å²	133.9	75%	0.749	68%	0.681	S	S	*	*				89.5	116.4	75.4	-74.6	-29.1	0	0	0	114.4
2432	K	30.4	Very low	29.7	Very low	182 Å²	182	132.4 Å²	132.4	79%	0.791	68%	0.678	S	S	*	*			trans	158.8	135.8	133.4	-89.4	153.9	177.3	175.4	0	115.7
2433	M	25.7	Very low	29.4	Very low	148 Å²	148	128.4 Å²	128.4	73%	0.729	66%	0.662	S	S	*	*			trans	59.7	155.7	141.7	-60.5	-174.6	-70.9	0	0	120.6
2434	N	30.8	Very low	29.5	Very low	131 Å²	131	130.1 Å²	130.1	70%	0.701	67%	0.669	S	S	*	*			cis	-164.6	156.4	-24.9	-100.1	-6.8	0	0	0	110.3
2435	N	32.2	Very low	29.4	Very low	126 Å²	126	130.1 Å²	130.1	67%	0.674	67%	0.672	S	S	*	*			trans	77.9	131.3	154.1	-69.9	-0.6	0	0	0	123.9
2436	L	31.2	Very low	29.4	Very low	81 Å²	81	123.1 Å²	123.1	42%	0.424	66%	0.66	S	S	.	*			trans	90.4	176.6	145.7	-67.9	161.9	0	0	0	122.2	T52 N2439	T52-L2436 VanDerWaalsContact O-CD1 3.25Å; T52-L2436 WeakPolarHBondContact O-CD1 3.29Å; T52-L2436 VanDerWaalsContact O-CD2 3.27Å; T52-L2436 WeakPolarHBondContact O-CD2 3.05Å; L2436-N2439 PolarHBondContact O-ND2 3.31Å
2437	H	26.2	Very low	29.2	Very low	106 Å²	106	125.1 Å²	125.1	49%	0.491	67%	0.665	S	S	.	*	S	Bend	trans	-88.1	166.3	-155.4	-111.4	54.4	0	0	0	114.9	N50 N2439	N50-H2437 PolarHBondContact O-CE1 3.04Å; N50-H2437 PolarHBondContact O-ND1 3.17Å; N50-H2437 VanDerWaalsContact O-ND1 3.17Å; H2437-N2439 WeakPolarHBondContact CA-ND2 3.44Å
2438	S	27.1	Very low	29.2	Very low	108 Å²	108	123.1 Å²	123.1	76%	0.755	66%	0.659	S	S	*	*			trans	43.9	74.7	178.9	54.8	0	0	0	0	113.8
2439	N	33.8	Very low	29.3	Very low	56 Å²	56	119.5 Å²	119.5	30%	0.299	65%	0.65	S	S	.	*			cis	74.4	142.2	22.8	-59.6	-31.2	0	0	0	117.8	L2436 H2437 Q2441	L2436-N2439 PolarHBondContact O-ND2 3.31Å; H2437-N2439 WeakPolarHBondContact CA-ND2 3.44Å; N2439-Q2441 PolarHBondContact OD1-OE1 2.61Å
2440	N	39.5	Very low	29.5	Very low	140 Å²	140	116.6 Å²	116.6	75%	0.749	65%	0.653	S	S	*	*	S	Bend	trans	53.8	68.5	-149.8	-139.5	31.2	0	0	0	116.7	L2442	N2440-L2442 VanDerWaalsContact CA-N 3.26Å; N2440-L2442 HydrophobicContact CB-CB 4.31Å; N2440-L2442 WeakPolarHBondContact OD1-CB 2.92Å
2441	Q	27.9	Very low	29.9	Very low	157 Å²	157	113.4 Å²	113.4	73%	0.734	65%	0.645	S	S	*	*	S	Bend	cis	43	-99	-10.2	-175.3	-171.7	13.9	0	0	117	N2439	N2439-Q2441 PolarHBondContact OD1-OE1 2.61Å
2442	L	30.8	Very low	30.1	Very low	115 Å²	115	115 Å²	115	60%	0.602	65%	0.649	S	S	*	*			trans	68.5	82.6	176.7	-169.1	159.1	0	0	0	111.2	N2440	N2440-L2442 VanDerWaalsContact CA-N 3.26Å; N2440-L2442 HydrophobicContact CB-CB 4.31Å; N2440-L2442 WeakPolarHBondContact OD1-CB 2.92Å
2443	S	24.5	Very low	30	Very low	50 Å²	50	112 Å²	112	35%	0.35	65%	0.645	S	S	.	*				67.8	131.6	76.8	79.8	0	0	0	0	114.5
2444	T	31.6	Very low	30	Very low	116 Å²	116	110 Å²	110	71%	0.712	64%	0.642	S	S	*	*			trans	63.5	120.5	168	45.5	0	0	0	0	115.7
2445	I	31.5	Very low	29.7	Very low	160 Å²	160	109 Å²	109	82%	0.821	64%	0.641	S	S	*	*			cis	49.7	111.3	22.6	-64.8	179.9	0	0	0	112.8
2446	A	31.4	Very low	29.3	Very low	68 Å²	68	107.3 Å²	107.3	56%	0.562	64%	0.639	S	S	*	*			trans	66.3	143.2	-174.2	0	0	0	0	0	112.7
2447	S	27.6	Very low	29	Very low	103 Å²	103	109.6 Å²	109.6	72%	0.72	66%	0.656	S	S	*	*			cis	66.1	165.1	25	95.4	0	0	0	0	114.3
2448	V	29.9	Very low	28.8	Very low	111 Å²	111	108.8 Å²	108.8	67%	0.673	66%	0.662	S	S	*	*			trans	62.7	95	157.2	173.4	0	0	0	0	115.2
2449	T	30	Very low	28.7	Very low	99 Å²	99	109.3 Å²	109.3	61%	0.607	66%	0.661	S	S	*	*			trans	76.8	149.3	148.9	73	0	0	0	0	118.1	S2451	T2449-S2451 WeakPolarHBondContact CG2-OG 3.44Å
2450	A	28.9	Very low	28.3	Very low	100 Å²	100	113.1 Å²	113.1	83%	0.826	69%	0.686	S	S	*	*			cis	-67.4	139	0.1	0	0	0	0	0	113.7
2451	S	33.9	Very low	27.6	Very low	84 Å²	84	110.5 Å²	110.5	59%	0.587	68%	0.679	S	S	*	*			cis	47.5	154.4	0.1	-62	0	0	0	0	119	T2449	T2449-S2451 WeakPolarHBondContact CG2-OG 3.44Å
2452	E	27.6	Very low	27.6	Very low	175 Å²	175	107.2 Å²	107.2	82%	0.818	67%	0.673	S	S	*	*			trans	66.4	128.5	-175.6	-59.3	180	-157.1	0	0	111.3
2453	T	27.3	Very low	27.3	Very low	117 Å²	117	110.7 Å²	110.7	72%	0.718	68%	0.68	S	S	*	*			cis	-157.8	160.4	8	30.2	0	0	0	0	106.9
2454	T	25.7	Very low	27.4	Very low	107 Å²	107	115.5 Å²	115.5	66%	0.656	70%	0.697	S	S	*	*			cis	-168.5	-169.3	-12.4	28.7	0	0	0	0	107
2455	T	24.5	Very low	27	Very low	111 Å²	111	115.7 Å²	115.7	68%	0.681	69%	0.693	S	S	*	*			trans	58.4	95.3	138.5	44.3	0	0	0	0	118.9
2456	S	24.6	Very low	26.7	Very low	90 Å²	90	114.4 Å²	114.4	63%	0.629	69%	0.687	S	S	*	*				58.2	146.9	110.9	67.9	0	0	0	0	121.6
2457	T	24.2	Very low	26.4	Very low	128 Å²	128	118.9 Å²	118.9	79%	0.785	69%	0.694	S	S	*	*			trans	64.8	142.2	153	48	0	0	0	0	117.5
2458	S	23.4	Very low	26.4	Very low	89 Å²	89	119.7 Å²	119.7	62%	0.622	69%	0.687	S	S	*	*			cis	-170.9	156.2	-7.3	43.7	0	0	0	0	110.1
2459	T	24.6	Very low	26.1	Very low	119 Å²	119	123.4 Å²	123.4	73%	0.73	69%	0.689	S	S	*	*			trans	47.7	138.4	143.8	56.5	0	0	0	0	121.6
2460	V	25.1	Very low	25.9	Very low	137 Å²	137	125.4 Å²	125.4	83%	0.83	69%	0.691	S	S	*	*			trans	73.1	133.9	141.6	161.7	0	0	0	0	116.3
2461	S	25.1	Very low	25.8	Very low	85 Å²	85	126 Å²	126	59%	0.594	68%	0.684	S	S	*	*			cis	-170.1	166.3	-16.1	57.5	0	0	0	0	108.9
2462	S	26.7	Very low	25.6	Very low	88 Å²	88	129.5 Å²	129.5	62%	0.615	69%	0.685	S	S	*	*			trans	61.9	144.7	148.4	62.5	0	0	0	0	117.1
2463	Y	25.5	Very low	25.6	Very low	187 Å²	187	124 Å²	124	73%	0.733	66%	0.662	S	S	*	*			cis	-134.7	142.1	41.6	-105	-112.3	0	0	0	111.8
2464	Q	26.1	Very low	25.6	Very low	152 Å²	152	125.2 Å²	125.2	71%	0.71	66%	0.657	S	S	*	*				34.9	152.7	121.7	-63.4	-167.8	4.9	0	0	120.5
2465	N	23.9	Very low	25.9	Very low	120 Å²	120	123 Å²	123	64%	0.642	64%	0.644	S	S	*	*			cis	154.9	140.6	-7.3	-161.8	9.9	0	0	0	102.2
2466	L	24.9	Very low	26.5	Very low	132 Å²	132	124.1 Å²	124.1	69%	0.691	65%	0.651	S	S	*	*			trans	62.7	153	158.9	-66.3	161.9	0	0	0	119.2
2467	K	24.2	Very low	26.6	Very low	163 Å²	163	124 Å²	124	71%	0.709	65%	0.648	S	S	*	*			trans	69.8	142.2	157.3	-66.6	154	157.8	-79.2	0	115.2
2468	E	27.5	Very low	26.9	Very low	120 Å²	120	125.3 Å²	125.3	56%	0.561	65%	0.65	S	S	*	*			cis	-143.9	160.5	-1.5	-124.5	158.2	-162.6	0	0	110.3
2469	R	24.2	Very low	27.4	Very low	189 Å²	189	126.1 Å²	126.1	71%	0.713	65%	0.654	S	S	*	*				38.6	133.8	109.9	-69.7	180	150.2	144.7	-6.6	114.4
2470	E	26.6	Very low	27.5	Very low	141 Å²	141	127.4 Å²	127.4	66%	0.659	66%	0.655	S	S	*	*			cis	-170.7	174.1	13.2	-123.6	159.8	-164.2	0	0	111.8
2471	V	26.6	Very low	27.7	Very low	111 Å²	111	128.4 Å²	128.4	67%	0.673	65%	0.65	S	S	*	*			trans	68.7	129.7	139.3	161.7	0	0	0	0	119.2
2472	Y	28.5	Very low	27.9	Very low	158 Å²	158	129 Å²	129	62%	0.62	65%	0.65	S	S	*	*			cis	-165	148.5	-6.3	-129.6	-165.4	0	0	0	115.8	N232	N232-Y2472 VanDerWaalsContact CB-C 3.43Å; N232-Y2472 WeakPolarHBondContact CB-O 3.39Å
2473	N	29.1	Very low	28.2	Very low	61 Å²	61	134.4 Å²	134.4	33%	0.326	66%	0.659	S	S	.	*			trans	82.1	83.9	145.7	-67.4	-8.4	0	0	0	124.4	N232 F233	N232-N2473 VanDerWaalsContact CB-O 3.26Å; N232-N2473 WeakPolarHBondContact CB-O 3.36Å; N232-N2473 PolarHBondContact ND2-N 3.36Å; N232-N2473 VanDerWaalsContact OD1-C 3.31Å; F233-N2473 WeakPolarHBondContact CA-O 3.46Å; F233-N2473 WeakPolarHBondContact CB-O 3.1Å; F233-N2473 VanDerWaalsContact CD2-O 3.25Å; F233-N2473 WeakPolarHBondContact CD2-O 3.08Å; F233-N2473 WeakPolarHBondContact CG-O 3.35Å; F233-N2473 PolarHBondContact N-O 3.12Å
2474	F	25.7	Very low	28.8	Very low	142 Å²	142	132.1 Å²	132.1	62%	0.623	66%	0.658	S	S	*	*				26.6	158.3	98.6	-67	-95.8	0	0	0	120.1	N232	N232-F2474 VanDerWaalsContact CG-N 3.32Å; N232-F2474 PolarHBondContact OD1-N 3.31Å
2475	P	32	Very low	29	Very low	59 Å²	59	129.9 Å²	129.9	38%	0.383	65%	0.651	S	S	.	*			cis	-145.9	-153.1	-49.5	40.3	-20	0	0	0	110.7	F233 P2477	F233-P2475 WeakPolarHBondContact CE1-O 3.2Å; F233-P2475 VanDerWaalsContact CZ-O 3.24Å; F233-P2475 WeakPolarHBondContact CZ-O 3.01Å; P2475-P2477 HydrophobicContact CG-CG 3.96Å
2476	V	37.7	Very low	29.6	Very low	135 Å²	135	127.9 Å²	127.9	82%	0.818	64%	0.644	S	S	*	*			trans	-88.9	127.5	146.3	172.7	0	0	0	0	108.3
2477	P	27.7	Very low	29.8	Very low	89 Å²	89	123.6 Å²	123.6	58%	0.578	62%	0.62	S	S	*	*			trans	-145.6	134.8	134.8	31.2	-10.6	0	0	0	111.7	P2475	P2475-P2477 HydrophobicContact CG-CG 3.96Å
2478	N	30.8	Very low	30.1	Very low	154 Å²	154	120.8 Å²	120.8	82%	0.824	61%	0.609	S	S	*	*			trans	-65.5	143.7	153.3	-82.6	3.4	0	0	0	108.1
2479	P	32.7	Very low	30.2	Very low	107 Å²	107	116.9 Å²	116.9	70%	0.695	60%	0.595	S	S	*	*				-137.4	136.4	121.7	35.1	-24.1	0	0	0	114.6
2480	L	26.4	Very low	30.6	Very low	146 Å²	146	110.1 Å²	110.1	76%	0.764	58%	0.577	S	S	*	*			trans	72	150.5	138.2	-68.1	169.9	0	0	0	122
2481	H	30	Very low	31.1	Very low	157 Å²	157	107.9 Å²	107.9	73%	0.727	57%	0.569	S	S	*	*			trans	61.1	129.9	156.3	-74.2	-62.9	0	0	0	119.9
2482	T	28.6	Very low	31.5	Very low	97 Å²	97	105.9 Å²	105.9	60%	0.595	56%	0.56	S	S	*	*			cis	-177.9	-171	-25.6	14.3	0	0	0	0	106.3
2483	Y	34.4	Very low	32	Very low	203 Å²	203	104.9 Å²	104.9	80%	0.796	57%	0.565	S	S	*	*			trans	80.8	127.2	165.6	-69.8	-96.4	0	0	0	116
2484	I	37.7	Very low	32.2	Very low	139 Å²	139	109.6 Å²	109.6	71%	0.713	58%	0.579	S	S	*	*			cis	-148.3	-174.3	-13.2	-141.9	-171.3	0	0	0	112.1
2485	N	29.9	Very low	32.6	Very low	105 Å²	105	107.6 Å²	107.6	56%	0.561	58%	0.583	S	S	*	*			trans	-71.2	152.8	-155.1	-70.3	-7.6	0	0	0	117	F2487	N2485-F2487 HydrophobicContact CB-CD2 4.38Å
2486	P	36.3	Very low	32.5	Very low	77 Å²	77	107.5 Å²	107.5	50%	0.5	58%	0.584	S	S	.	*			trans	-87.8	-160.6	157.6	41.2	-35.7	0	0	0	110	I580 T581	I580-P2486 CarbonylContact C-O 3.26Å; T581-P2486 CarbonylContact C-O 3.31Å; T581-P2486 WeakPolarHBondContact CA-O 3.13Å; T581-P2486 PolarHBondContact N-O 3.24Å; T581-P2486 CarbonylContact O-C 3.53Å
2487	F	30	Very low	32.1	Very low	42 Å²	42	105 Å²	105	18%	0.184	56%	0.562	C	S	.	*				153.2	126	129.1	-90.7	-78	0	0	0	115.3	E579 I580 T581 K582 N2485	E579-F2487 VanDerWaalsContact C-CG 3.47Å; I580-F2487 VanDerWaalsContact CA-CB 3.46Å; I580-F2487 VanDerWaalsContact N-CG 3.32Å; T581-F2487 CarbonylContact C-O 3.48Å; T581-F2487 WeakPolarHBondContact CA-O 3.31Å; T581-F2487 PolarHBondContact O-N 3.32Å; K582-F2487 PolarHBondContact N-O 2.89Å; N2485-F2487 HydrophobicContact CB-CD2 4.38Å
2488	H	29	Very low	32.4	Very low	105 Å²	105	106.2 Å²	106.2	49%	0.486	56%	0.563	S	S	.	*				69.2	175.5	127.6	-84.9	-159.5	0	0	0	126.2	E579 K582	E579-H2488 WeakPolarHBondContact OE1-CB 3.42Å; E579-H2488 IonicContact OE1-CG 3.57Å; E579-H2488 IonicContact OE1-ND1 3.5Å; E579-H2488 IonicContact OE2-CE1 3.98Å; E579-H2488 IonicContact OE2-CG 3.63Å; E579-H2488 IonicContact OE2-ND1 2.77Å; E579-H2488 PolarHBondContact OE2-ND1 3.22Å; K582-H2488 WeakPolarHBondContact CE-O 3.43Å
2489	S	30	Very low	32.5	Very low	37 Å²	37	104.6 Å²	104.6	26%	0.259	55%	0.551	S	S	.	*			trans	-92.5	-159.4	-172.4	49.9	0	0	0	0	111.3	E863	E863-S2489 CarbonylContact O-C 3.58Å; E863-S2489 VanDerWaalsContact O-O 3.12Å
2490	S	32.6	Very low	32.2	Very low	48 Å²	48	103.1 Å²	103.1	34%	0.336	54%	0.543	S	S	.	.			cis	-161	148.7	15.9	-20.1	0	0	0	0	115	K861 S862 E863	K861-S2490 CarbonylContact O-C 3.24Å; K861-S2490 WeakPolarHBondContact O-CA 3.3Å; K861-S2490 VanDerWaalsContact O-CB 3.3Å; K861-S2490 WeakPolarHBondContact O-CB 3.1Å; S862-S2490 VanDerWaalsContact C-CA 3.48Å; S862-S2490 CarbonylContact O-C 3.07Å; E863-S2490 PolarHBondContact O-N 3.39Å; E863-S2490 VanDerWaalsContact O-N 3.09Å
2491	N	37.7	Very low	32.3	Very low	93 Å²	93	101.1 Å²	101.1	50%	0.497	54%	0.536	S	S	.	.			trans	164.4	-175.1	143.6	-88.2	-26.5	0	0	0	113.3	K861 S862 E863	K861-N2491 PolarHBondContact O-N 3.03Å; S862-N2491 PolarHBondContact O-N 2.94Å; E863-N2491 WeakPolarHBondContact OE2-CA 3.36Å; E863-N2491 WeakPolarHBondContact OE2-CB 3.35Å
2492	S	35.8	Very low	32.4	Very low	69 Å²	69	102.4 Å²	102.4	48%	0.483	54%	0.54	S	S	.	.				-151.4	-177.2	-53.2	57.9	0	0	0	0	113.5
2493	L	38.9	Very low	32.4	Very low	138 Å²	138	105.3 Å²	105.3	72%	0.723	55%	0.547	S	S	*	.			trans	68	157.6	157.3	-62.6	177.3	0	0	0	120.3
2494	Y	32.8	Very low	32.1	Very low	159 Å²	159	103.4 Å²	103.4	62%	0.624	55%	0.545	S	S	*	.			cis	-173.7	172.5	-46.2	-126.3	-142.9	0	0	0	111.9	K1573	K1573-Y2494 HydrophobicContact CD-CE1 4.42Å; K1573-Y2494 HydrophobicContact CD-CE2 3.99Å; K1573-Y2494 WeakPolarHBondContact CD-OH 3.33Å; K1573-Y2494 WeakPolarHBondContact CE-OH 3.42Å; K1573-Y2494 VanDerWaalsContact NZ-CZ 3.27Å; K1573-Y2494 PolarHBondContact NZ-OH 2.67Å
2495	S	33.3	Very low	32	Very low	100 Å²	100	99.8 Å²	99.8	70%	0.699	53%	0.531	S	S	*	.			trans	95.8	146.1	142.5	-136.1	0	0	0	0	121
2496	S	30.8	Very low	31.8	Very low	57 Å²	57	97.6 Å²	97.6	40%	0.399	52%	0.522	S	S	.	.				150.1	153.5	-50.6	-76.6	0	0	0	0	115.9	D1571	D1571-S2496 WeakPolarHBondContact OD1-CA 3.48Å; D1571-S2496 WeakPolarHBondContact OD1-CB 2.97Å; D1571-S2496 PolarHBondContact OD1-OG 2.86Å
2497	F	29.1	Very low	31.5	Very low	84 Å²	84	99 Å²	99	37%	0.368	52%	0.52	S	S	.	.				131.5	59.2	123.6	-18	-40.5	0	0	0	118.6	Q1570 D1571 M1572 K1573	Q1570-F2497 HydrophobicContact CB-CD1 3.67Å; Q1570-F2497 HydrophobicContact CB-CE1 3.71Å; Q1570-F2497 HydrophobicContact CG-CD1 4.32Å; Q1570-F2497 HydrophobicContact CG-CE1 4.22Å; Q1570-F2497 VanDerWaalsContact OE1-CD1 3.31Å; D1571-F2497 HydrophobicContact CB-CD1 2.65Å; D1571-F2497 HydrophobicContact CB-CD2 3.83Å; D1571-F2497 HydrophobicContact CB-CE1 2.62Å; D1571-F2497 HydrophobicContact CB-CE2 3.8Å; D1571-F2497 HydrophobicContact CB-CG 3.28Å; D1571-F2497 HydrophobicContact CB-CZ 3.22Å; D1571-F2497 WeakPolarHBondContact O-CZ 3.27Å; D1571-F2497 WeakPolarHBondContact OD1-CD1 2.98Å; D1571-F2497 WeakPolarHBondContact OD1-CD2 3.43Å; D1571-F2497 WeakPolarHBondContact OD1-CE1 3.37Å; D1571-F2497 WeakPolarHBondContact OD1-CE2 3.44Å; D1571-F2497 WeakPolarHBondContact OD1-CG 3.14Å; D1571-F2497 WeakPolarHBondContact OD1-CZ 3.42Å; D1571-F2497 PolarHBondContact OD1-N 2.89Å; D1571-F2497 WeakPolarHBondContact OD2-CD1 3.22Å; D1571-F2497 WeakPolarHBondContact OD2-CD2 3.35Å; D1571-F2497 WeakPolarHBondContact OD2-CE1 3.42Å; D1571-F2497 WeakPolarHBondContact OD2-CE2 3.37Å; D1571-F2497 WeakPolarHBondContact OD2-CG 3.48Å; D1571-F2497 WeakPolarHBondContact OD2-CZ 3.15Å; M1572-F2497 HydrophobicContact CE-CB 4.3Å; M1572-F2497 HydrophobicContact CE-CD2 3.28Å; M1572-F2497 HydrophobicContact CE-CG 4.1Å; M1572-F2497 HydrophobicContact CG-CD2 4.38Å; M1572-F2497 HydrophobicContact SD-CD2 3.44Å; M1572-F2497 WeakPolarHBondContact SD-CD2 3.15Å; M1572-F2497 HydrophobicContact SD-CE2 3.94Å; K1573-F2497 HydrophobicContact CD-CE2 4.43Å; K1573-F2497 HydrophobicContact CG-CE2 3.78Å
2498	L	33.3	Very low	31.4	Very low	114 Å²	114	100.5 Å²	100.5	60%	0.597	53%	0.533	S	S	*	.			trans	-133.4	-155.5	161.1	-74.7	177.5	0	0	0	113.3	D1569	D1569-L2498 WeakPolarHBondContact OD2-CB 3.38Å
2499	Q	32.8	Very low	31.3	Very low	120 Å²	120	100.1 Å²	100.1	56%	0.561	54%	0.541	S	S	*	.				-159.9	114.9	-109.4	176.3	62.4	4	0	0	116.2	D1569	D1569-Q2499 PolarHBondContact OD2-N 2.86Å
2500	S	27.9	Very low	31.1	Very low	75 Å²	75	103.2 Å²	103.2	52%	0.524	56%	0.563	S	S	.	*			trans	83	162	136.8	92.2	0	0	0	0	120.6
2501	V	28.6	Very low	30.9	Very low	104 Å²	104	106.4 Å²	106.4	63%	0.63	59%	0.586	S	S	*	*			cis	-169.7	164.4	-13.1	120.6	0	0	0	0	112.5
2502	F	30.7	Very low	30.5	Very low	184 Å²	184	106.7 Å²	106.7	81%	0.807	60%	0.595	S	S	*	*			trans	64.9	143	175.3	-61.1	-48.2	0	0	0	116.5
2503	E	29.7	Very low	30.2	Very low	158 Å²	158	109.1 Å²	109.1	74%	0.738	61%	0.612	S	S	*	*			cis	-148.9	129.6	-1	-124.5	172.4	-152	0	0	110
2504	E	28.5	Very low	29.9	Very low	164 Å²	164	107.3 Å²	107.3	77%	0.766	61%	0.611	S	S	*	*				66.4	156.6	124.5	-78.1	-128.5	175.1	0	0	124.1	K848	K848-E2504 PolarHBondContact NZ-O 3.14Å
2505	P	34.8	Very low	29.6	Very low	62 Å²	62	104.7 Å²	104.7	40%	0.403	62%	0.615	S	S	.	*				-135.3	-152.8	-123.4	37.9	-15.6	0	0	0	114.5	K848	K848-P2505 WeakPolarHBondContact CD-O 3.19Å; K848-P2505 WeakPolarHBondContact CE-O 3.39Å; K848-P2505 PolarHBondContact NZ-O 2.65Å
2506	T	25.6	Very low	29.6	Very low	60 Å²	60	105.7 Å²	105.7	37%	0.368	62%	0.62	S	S	.	*			trans	75.1	144	147	45.2	0	0	0	0	122.3	I849	I849-T2506 HydrophobicContact CD1-CG2 4.12Å
2507	F	29.1	Very low	29.6	Very low	107 Å²	107	108 Å²	108	47%	0.469	64%	0.636	S	S	.	*				83.6	126.5	128.6	-83	-139.6	0	0	0	123.5	I849 E850	I849-F2507 CarbonylContact O-C 2.92Å; E850-F2507 VanDerWaalsContact CD-CD2 3.46Å; E850-F2507 HydrophobicContact CG-CD2 4.41Å; E850-F2507 WeakPolarHBondContact OE1-CD2 3.41Å; E850-F2507 WeakPolarHBondContact OE1-CE2 3.11Å
2508	T	28.4	Very low	30	Very low	73 Å²	73	109.2 Å²	109.2	45%	0.448	65%	0.652	S	S	.	*				67.5	127	128.1	64.2	0	0	0	0	122.9	I849 E850	I849-T2508 PolarHBondContact O-N 2.76Å; I849-T2508 VanDerWaalsContact O-N 3.15Å; E850-T2508 HydrophobicContact CG-CG2 3.68Å; E850-T2508 WeakPolarHBondContact OE2-CG2 2.92Å
2509	S	26.9	Very low	29.6	Very low	96 Å²	96	108.6 Å²	108.6	67%	0.671	66%	0.658	S	S	*	*			trans	49.8	102.3	131.5	73.3	0	0	0	0	120.2
2510	S	26.2	Very low	29.2	Very low	102 Å²	102	110.7 Å²	110.7	71%	0.713	67%	0.672	S	S	*	*				27.3	129.8	117.1	60.9	0	0	0	0	120.8
2511	S	28.2	Very low	29.4	Very low	116 Å²	116	114.1 Å²	114.1	81%	0.811	68%	0.683	S	S	*	*			trans	79	158.4	150.6	88.9	0	0	0	0	116.6
2512	S	28.4	Very low	29.7	Very low	99 Å²	99	116.2 Å²	116.2	69%	0.692	69%	0.69	S	S	*	*			cis	-148.1	168.9	10.9	66.4	0	0	0	0	113.5
2513	S	29.7	Very low	29.3	Very low	119 Å²	119	111.5 Å²	111.5	83%	0.832	68%	0.68	S	S	*	*			trans	66.7	141.6	177.3	74.6	0	0	0	0	116.6
2514	S	32.4	Very low	29	Very low	101 Å²	101	108.9 Å²	108.9	71%	0.706	68%	0.679	S	S	*	*			cis	-134	113.1	1.9	58.5	0	0	0	0	113.1
2515	S	28	Very low	28.8	Very low	103 Å²	103	105.9 Å²	105.9	72%	0.72	68%	0.677	S	S	*	*				20	156.1	118.9	56.5	0	0	0	0	121.1
2516	P	33.1	Very low	28.3	Very low	121 Å²	121	106.5 Å²	106.5	79%	0.786	68%	0.682	S	S	*	*			cis	-148.3	-165.8	-27.1	41.7	-22	0	0	0	113.8
2517	S	30.8	Very low	28.5	Very low	105 Å²	105	107.5 Å²	107.5	73%	0.734	69%	0.691	S	S	*	*			trans	-85.7	166.6	147.2	-25.6	0	0	0	0	109.9
2518	P	37.4	Very low	28.4	Very low	111 Å²	111	105.3 Å²	105.3	72%	0.721	69%	0.687	S	S	*	*			cis	-137.4	-163	-0.5	37	-14.9	0	0	0	113.4
2519	S	24.4	Very low	28.4	Very low	101 Å²	101	107.9 Å²	107.9	71%	0.706	69%	0.694	S	S	*	*			trans	76.9	158.6	150	-58.4	0	0	0	0	121
2520	L	24.9	Very low	28.3	Very low	163 Å²	163	110.2 Å²	110.2	85%	0.853	70%	0.698	S	S	*	*			trans	74.3	159.1	164.7	-62.3	176.3	0	0	0	119.1
2521	L	31.3	Very low	28.3	Very low	148 Å²	148	108 Å²	108	78%	0.775	69%	0.691	S	S	*	*			trans	66.2	116.2	172.4	-56.2	-178.6	0	0	0	117.5	S2523	L2521-S2523 PolarHBondContact O-N 3.35Å
2522	L	34.8	Very low	28.2	Very low	147 Å²	147	110.1 Å²	110.1	77%	0.77	69%	0.688	S	S	*	*				26	98.7	121.2	-62.5	165.1	0	0	0	113.5
2523	S	22.3	Very low	28.1	Very low	86 Å²	86	112.9 Å²	112.9	60%	0.601	69%	0.688	S	S	*	*				48.9	114.8	68.9	95.8	0	0	0	0	110.6	L2521	L2521-S2523 PolarHBondContact O-N 3.35Å
2524	S	24.5	Very low	27.9	Very low	102 Å²	102	112.5 Å²	112.5	71%	0.713	68%	0.676	S	S	*	*				104.2	134.1	93.2	58.6	0	0	0	0	109.5
2525	S	24	Very low	27.8	Very low	102 Å²	102	115.1 Å²	115.1	71%	0.713	68%	0.678	S	S	*	*			cis	-165.4	-169.6	4.4	39.8	0	0	0	0	110.4
2526	S	24.4	Very low	28	Very low	75 Å²	75	117.4 Å²	117.4	52%	0.524	68%	0.681	S	S	.	*			trans	69.8	99.3	141.5	49.4	0	0	0	0	118.7	L691 A692	L691-S2526 WeakPolarHBondContact O-CA 3.26Å; A692-S2526 CarbonylContact O-C 3.07Å; A692-S2526 WeakPolarHBondContact O-CA 3.34Å; A692-S2526 WeakPolarHBondContact O-CB 3.48Å
2527	S	30.2	Very low	27.8	Very low	80 Å²	80	120.3 Å²	120.3	56%	0.559	68%	0.681	S	S	*	*				-150.6	108.2	127.2	-174.1	0	0	0	0	110.5	L691 A692 H2529	L691-S2527 CarbonylContact C-O 3.37Å; L691-S2527 VanDerWaalsContact C-O 3.31Å; L691-S2527 WeakPolarHBondContact CA-O 3.19Å; L691-S2527 PolarHBondContact N-O 3.02Å; L691-S2527 CarbonylContact O-C 3.51Å; L691-S2527 PolarHBondContact O-N 3.04Å; A692-S2527 CarbonylContact O-C 3.56Å; A692-S2527 VanDerWaalsContact O-C 3.27Å; A692-S2527 VanDerWaalsContact O-CA 3.24Å; A692-S2527 WeakPolarHBondContact O-CA 3.43Å; A692-S2527 PolarHBondContact O-N 2.73Å; A692-S2527 VanDerWaalsContact O-N 3.13Å; S2527-H2529 PolarHBondContact OG-N 2.8Å
2528	T	25.7	Very low	27.9	Very low	62 Å²	62	120.3 Å²	120.3	38%	0.38	68%	0.677	S	S	.	*				-79.9	133.4	129.4	-63.1	0	0	0	0	104	A692	A692-T2528 WeakPolarHBondContact CA-OG1 3.24Å; A692-T2528 VanDerWaalsContact N-N 3.15Å; A692-T2528 PolarHBondContact N-OG1 2.72Å; A692-T2528 PolarHBondContact O-N 2.85Å
2529	H	29.2	Very low	27.6	Very low	126 Å²	126	122.3 Å²	122.3	58%	0.583	68%	0.681	S	S	*	*				-138.3	168.6	119.8	-130.4	-70.3	0	0	0	109.8	T694 S2527	T694-H2529 PolarHBondContact O-NE2 2.77Å; S2527-H2529 PolarHBondContact OG-N 2.8Å
2530	L	24.6	Very low	28.1	Very low	146 Å²	146	121.3 Å²	121.3	76%	0.764	68%	0.679	S	S	*	*			trans	-68.4	147.2	167.5	-72.2	78.4	0	0	0	108.7
2531	G	25.5	Very low	28.2	Very low	55 Å²	55	120.4 Å²	120.4	57%	0.567	68%	0.675	S	S	*	*			trans	65.1	125.2	131.7	0	0	0	0	0	120.1
2532	H	25.7	Very low	28.5	Very low	161 Å²	161	118.5 Å²	118.5	75%	0.745	67%	0.672	S	S	*	*			trans	76.3	148.2	143.6	-60	-76.2	0	0	0	117.1
2533	F	26.6	Very low	28.6	Very low	157 Å²	157	117.8 Å²	117.8	69%	0.689	67%	0.667	S	S	*	*			cis	-158.3	160.3	-2.1	-128.1	-38.6	0	0	0	111.1
2534	N	26.4	Very low	28.8	Very low	111 Å²	111	117.7 Å²	117.7	59%	0.594	67%	0.667	S	S	*	*			trans	72.5	149.9	147.9	-68.8	-35.2	0	0	0	117.4
2535	Q	29.8	Very low	29	Very low	156 Å²	156	117.7 Å²	117.7	73%	0.729	66%	0.659	S	S	*	*			cis	-154.9	-175	-1.6	-130.1	158.5	43.1	0	0	112.3
2536	L	32.4	Very low	29.4	Very low	150 Å²	150	118 Å²	118	79%	0.785	65%	0.652	S	S	*	*			trans	76.8	118.6	-179.8	-49	176.6	0	0	0	112.9
2537	F	29.4	Very low	29.7	Very low	183 Å²	183	117.2 Å²	117.2	80%	0.803	64%	0.642	S	S	*	*	S	Bend	cis	-122	141.5	13.4	-106.4	-112.2	0	0	0	113.9
2538	V	32.8	Very low	29.9	Very low	104 Å²	104	118.1 Å²	118.1	63%	0.63	64%	0.644	S	S	*	*			trans	58.4	107.3	143.5	173.3	0	0	0	0	118.8
2539	N	30.2	Very low	30.2	Very low	153 Å²	153	119.4 Å²	119.4	82%	0.818	65%	0.652	S	S	*	*			trans	58	140.8	136.9	-56	4.5	0	0	0	120.2
2540	A	36.1	Very low	30.2	Very low	80 Å²	80	117.8 Å²	117.8	66%	0.661	65%	0.653	S	S	*	*			cis	-171.4	137.9	-12.9	0	0	0	0	0	108.7
2541	D	25.8	Very low	30.5	Very low	144 Å²	144	116.9 Å²	116.9	77%	0.77	65%	0.649	S	S	*	*			trans	-63.6	131.5	140.1	-83.3	-49.4	0	0	0	107.5	I2543	D2541-I2543 HydrophobicContact CB-CG1 4.35Å
2542	P	38.5	Very low	30.6	Very low	109 Å²	109	122.3 Å²	122.3	71%	0.708	66%	0.662	S	S	*	*				-89.5	123.4	98.9	-28.6	38.4	0	0	0	111.4
2543	I	36.1	Very low	30.9	Very low	132 Å²	132	119.5 Å²	119.5	68%	0.677	66%	0.66	S	S	*	*				54.2	81.5	68.5	-54.4	166.7	0	0	0	108	D2541	D2541-I2543 HydrophobicContact CB-CG1 4.35Å
2544	S	27.3	Very low	31.2	Very low	84 Å²	84	118.6 Å²	118.6	59%	0.587	67%	0.668	S	S	*	*				77.4	144.8	57.4	90.5	0	0	0	0	114.3
2545	N	28.3	Very low	31.4	Very low	101 Å²	101	121.6 Å²	121.6	54%	0.54	68%	0.68	S	S	.	*			trans	69.4	146.1	168.5	-59.3	-26.8	0	0	0	115.4	Y671 L2547	Y671-N2545 PolarHBondContact OH-OD1 3.27Å; N2545-L2547 HydrophobicContact CB-CD1 3.6Å; N2545-L2547 VanDerWaalsContact OD1-CD1 3.24Å; N2545-L2547 WeakPolarHBondContact OD1-CD1 3.35Å
2546	N	31.3	Very low	31.4	Very low	109 Å²	109	120.4 Å²	120.4	58%	0.583	68%	0.679	S	S	*	*			cis	-107.4	147.2	26.6	-68	-75.6	0	0	0	112.5
2547	L	32.4	Very low	31.3	Very low	58 Å²	58	118.8 Å²	118.8	30%	0.304	68%	0.675	S	S	.	*				54.4	130.5	65.1	-76.3	89.3	0	0	0	111.5	Y671 N2545 V2549	Y671-L2547 WeakPolarHBondContact OH-CD1 3.17Å; Y671-L2547 PolarHBondContact OH-N 2.79Å; N2545-L2547 HydrophobicContact CB-CD1 3.6Å; N2545-L2547 VanDerWaalsContact OD1-CD1 3.24Å; N2545-L2547 WeakPolarHBondContact OD1-CD1 3.35Å; L2547-V2549 HydrophobicContact CD2-CG2 3.97Å
2548	V	32.9	Very low	31.1	Very low	100 Å²	100	116.8 Å²	116.8	61%	0.606	67%	0.673	S	S	*	*	S	Bend		-138.6	138.3	52.6	161.9	0	0	0	0	110.4
2549	V	32.8	Very low	30.9	Very low	89 Å²	89	117.1 Å²	117.1	54%	0.539	68%	0.679	S	S	.	*			cis	-160	156.7	-3.5	120	0	0	0	0	109.8	L2547	L2547-V2549 HydrophobicContact CD2-CG2 3.97Å
2550	C	28.9	Very low	31	Very low	91 Å²	91	114.1 Å²	114.1	62%	0.615	68%	0.675	S	S	*	*			trans	17.8	143.8	153.1	-59.6	0	0	0	0	121.5
2551	N	30.4	Very low	30.9	Very low	128 Å²	128	115.5 Å²	115.5	68%	0.684	68%	0.677	S	S	*	*			cis	-153.2	150.6	8.2	-104	-3.6	0	0	0	107.8
2552	M	28.1	Very low	31.1	Very low	168 Å²	168	117.2 Å²	117.2	83%	0.828	68%	0.678	S	S	*	*				47.1	117.2	78.8	-72.7	-178	157.4	0	0	112.7
2553	S	32.7	Very low	30.6	Very low	102 Å²	102	119.7 Å²	119.7	71%	0.713	68%	0.68	S	S	*	*			cis	-145.8	-166.6	11.4	-68.8	0	0	0	0	108.4
2554	T	33.1	Very low	30.3	Very low	138 Å²	138	114.6 Å²	114.6	85%	0.847	66%	0.656	S	S	*	*			cis	-153.4	162.7	15.3	-38.7	0	0	0	0	110.8
2555	M	30.5	Very low	30.5	Very low	175 Å²	175	110.9 Å²	110.9	86%	0.862	63%	0.63	S	S	*	*			trans	-80.3	179.7	167.3	-77.7	171.8	163	0	0	112.1
2556	D	28.4	Very low	30.6	Very low	130 Å²	130	111 Å²	111	70%	0.695	63%	0.631	S	S	*	*			cis	161.7	162	-32.1	-150.8	-19.3	0	0	0	105.9
2557	T	30.6	Very low	30.6	Very low	116 Å²	116	111.1 Å²	111.1	71%	0.712	63%	0.633	S	S	*	*			trans	63.7	147.3	164.9	65.8	0	0	0	0	118.6
2558	D	27	Very low	30.5	Very low	142 Å²	142	113.8 Å²	113.8	76%	0.759	65%	0.65	S	S	*	*			cis	-161.5	-179.7	-15.3	-130.7	-40.2	0	0	0	114.4
2559	C	28.3	Very low	30.4	Very low	111 Å²	111	114.6 Å²	114.6	75%	0.75	65%	0.653	S	S	*	*			trans	72.9	93.7	150.7	-74.9	0	0	0	0	120.6
2560	A	31.3	Very low	30.2	Very low	90 Å²	90	116.1 Å²	116.1	74%	0.744	66%	0.659	S	S	*	*			trans	-51.5	168.2	139.5	0	0	0	0	0	112.5
2561	P	35.3	Very low	30.3	Very low	108 Å²	108	117.7 Å²	117.7	70%	0.701	66%	0.662	S	S	*	*				-152	175.5	60.6	41.3	-20.3	0	0	0	118.9
2562	F	28.4	Very low	30.3	Very low	180 Å²	180	117 Å²	117	79%	0.789	66%	0.661	S	S	*	*			trans	20	139.9	146.2	-63.5	-54	0	0	0	120.9
2563	H	27.8	Very low	30.5	Very low	162 Å²	162	113.4 Å²	113.4	75%	0.75	65%	0.649	S	S	*	*			cis	-149.9	164.2	-2	-91.7	-75.6	0	0	0	105.1
2564	S	30.1	Very low	30.3	Very low	24 Å²	24	114.2 Å²	114.2	17%	0.168	64%	0.644	C	S	.	*	S	Bend	cis	-136.9	162.7	8	65.6	0	0	0	0	107.7	Q533 Q534	Q533-S2564 WeakPolarHBondContact CG-OG 3.41Å; Q533-S2564 PolarHBondContact NE2-O 2.95Å; Q533-S2564 PolarHBondContact NE2-OG 3.45Å; Q534-S2564 WeakPolarHBondContact CA-OG 3.3Å; Q534-S2564 PolarHBondContact O-OG 3.05Å
2565	S	31.6	Very low	30.1	Very low	6 Å²	6	112.3 Å²	112.3	4%	0.042	63%	0.627	C	S	.	*			cis	-161.2	120.6	47.6	40.6	0	0	0	0	114.1	Q530 I531	Q530-S2565 WeakPolarHBondContact CG-O 3.14Å; Q530-S2565 PolarHBondContact OE1-O 2.6Å; I531-S2565 WeakPolarHBondContact CB-OG 3.47Å; I531-S2565 WeakPolarHBondContact CG2-OG 3.39Å; I531-S2565 PolarHBondContact O-OG 3.17Å; I531-S2565 VanDerWaalsContact O-OG 3.06Å
2566	N	31.8	Very low	30	Very low	103 Å²	103	106.5 Å²	106.5	55%	0.551	61%	0.606	S	S	*	*			trans	-153.7	0	165.7	-132.4	9.9	0	0	0	114.8	N528 K529 Q530	N528-N2566 HydrophobicContact CB-CB 4.48Å; N528-N2566 WeakPolarHBondContact CB-OD1 3.47Å; N528-N2566 PolarHBondContact ND2-OXT 3.31Å; N528-N2566 PolarHBondContact O-ND2 2.89Å; K529-N2566 VanDerWaalsContact C-CG 3.48Å; K529-N2566 WeakPolarHBondContact CA-OD1 3.41Å; K529-N2566 WeakPolarHBondContact CB-OD1 3.46Å; K529-N2566 PolarHBondContact O-ND2 3.16Å; K529-N2566 PolarHBondContact O-OD1 2.88Å; Q530-N2566 WeakPolarHBondContact CA-OD1 3.43Å; Q530-N2566 HydrophobicContact CG-CB 4.2Å; Q530-N2566 PolarHBondContact N-OD1 3.43Å; Q530-N2566 VanDerWaalsContact N-OD1 3.14Å

Retrieved 2,566 of 2,566 residues in 535.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).