GLI1_SCHMA Loading...

Isoform 2 of Zinc finger protein GLI1

Canonical isoform description: 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 (A0A5K4F1Q4), UniProt , Accession A0A5K4F1D0-2 (canonical: A0A5K4F1D0), Species SCHMA (Schistosoma mansoni, Blood fluke), Gene gli1, Length 2,546 aa.

						>GLI1_SCHMA|A0A5K4F1D0-2|gli1
MTGSDSSMCDLEVKSSLSLTSHLHEYQRNPLFHINTTTLTTTTTINNHINTTSTNNYQQQNDTMYDNNNNNVDNDMKVKSSMNDCINDNTINDTHSTTVIHAENENPRRPIPLTNTSNLEGSTSNVGGNSNFQTMSGNTIPFLPISATNDGRYEWPPSMRYSSANTDRFIQGINTNTDNRQEDFRNQLTSNNNNNYNFKSNNTADNEINQTNHHNLPQFANEKLLDSVRSKNFNNTNISNKVECSSPDANMVAAVAFNAVRRWFTNSSTLTNSDNTMKSVWNENMRTGNSGTNSIGFMNQSNILPYASLNSRLQHPLLPPPLVLNSTVGNATTQNSTHNNYGMFMHRGHHSSGYVPNHTAPMLRGGKKRSHSQSSVNELFDISSLTRSSQGSLNIMQSMRGSHSMGPSAEGSYGHLSAASLGASPGASCDIRRTLSSNGNSSHTAPPAPFSERSPFWSPNSPHSSGSGFDNYQTSSHKSLPLPSTLQTYQQHSGYTSTSGSSGNRSTGCLNRAPFGHLAVLSSSNSLNKQIQQQSDSNSVSNCSIDVPKKLTTNSSNMILPSCRTLGLPTNSVTVSSSEITKNCNNNVLQSAMAFAAVAVAAAAASSTTSSITERENSSLLNKHVLENTLHRECRDHGLHQHPSSECESCSSTLTMGNNNNKLNESINSVYNNLVPSCFMKPPSSATIKSLATTTDNNNSNTNILSNDLSTDNRNKSLNKLPCYNNDADANDTCMDATNNENIQQGVLRKIIPSTPSHFQFSSKTYNQLTQNNSSNKPITAVNNGNDVNNGGNMSSSFTNPLHWPFESIPTPDWSHTWFNNNNNNNTNSTIRFQLNPNETIRRNGRVKIEQIDLNSTVLSKSEMSELLINENSNNNHHHLFGKGNNLLCPTLTKDLLKQHCALNNSDINSITNSLLNQQSSQRKQIDGTLNQMRGIKNFGRTCRITPVLEAITPGITTSISETSAVASSSTTAATPTTTGLFKQKSIEHSHKWQNQNVFSSRRNSTRDPSNNNNSGVGRCSVDEPDVDDDEELDDDGRVPQEGDPDFVETTCRWGDCTLQFDDQDELVKHLSTEHIAGNKKSFVCLWRECVRGTRPFKAQYMLVVHMRRHTGEKPHKCIFEGCIKRYSRLENLKTHLRSHTGEKPYQCEIPGCNKAFSNASDRAKHQNRTHSNEKPYTCKVDGCSKRYTDPSSLRKHVKTVHGAEVYANKKHKGESWSDRPCGGSGFGGGHLFGNSNNNNSYPSQDKRSNGSMPGIRGRFGPRGMNDNGNIFHRGTYTDREQRPSSSSNPRDSCLACLSNPVHTTTIHPVDINAESIITEYPNQDLSKLKRFSIEESGRNTSHNMNWYLPETDNQNVHSSVLMMASSPAVYNTRNDYFPSFKCEHSIYPNYFSFARNMIHTEDTNQNDNNNNNLVLSWTSPTTPSPCDNLYLDQKINPSITLQPLSTTSNPVQSLSPSIDNPINSTGTKQKNLFSPVNESVTMIRNENCDQSKPVCVYGTSDDLAKDFKKSLKTEENNLIWNWKYSQPSIDGMNKDHCNKKHSILRFDDQDMKKPLPGYLSTSLESRSNTQLALNPNDQTVNQLTRSINNEHFNEMSNMSTTTINETYRENNLQFNFPLKWKVEDPLAYSKNMDNNSQTKNNNELNEENSPQSNQNECISNVPLLNNHYLEDVTEQKSQLCVIECPNRLRSMQDICSSNDIWDSESAAASSGIGSGVTTTTASDNSNPTAQNHHHQKQQPKHSHQHQNRTKSINSDNNYSNQDNVSTMDNDETFFNNENIKSDLGSIDRSSLFGTPRTDSNSTGCSYERTFNPQINYKNDNLIHSSCTCIQKRQKRDNSQSTCSYHRHYHDQLVDGNISSQLDSEQLSATSSQVSSGLGSMTSSNAGSGCNCTGTGLNNTNINVLDNVSGNVSSNICVNTLPRLVEGDNSSNLTNDYPNNSQVFNEDDNNISKMWRKYYKSYGYCSPCNNQPETFYPEVFNSETECYSNTPATVINGLSSTASPVPPSISTYHYHHNPHLHHQHQQRQSQHNLDLVMSNSNHYNDEMHFSPHSYVHSSSSNSSPFNSNRPHSVETFSHNNLTNNSLFDHRRYTHTSLSTTNNNHVNEMNNSINQINPKHPYNICLSSINNNNNQCDTNSNMILKRHSITDDLCHVNGTWFTNEYNGNDNHHYWTHPYNVNQLSIGNQIPNWLNKSVLTSSSPSSSSRLTSTSLTEAIRTHNSSDSLCVTSRFNDSINYYQEYTNCCQPTINSFQINQSSLSSTMSTKTSAKLQSKLSWTTDDNYSEYLCSNHSQNSYIQSNRLVNNNNSSNNDNLIEMDRNNRTNIQRNCSSELNCYTNFQNNTTQLENMDHINTNPLLISLASSQPFLMSSFNTTSISTTSEQTPYSSYHLTPTSNTVHQISQRGIEQMNKMNNLHSNNQLSTIASVTASETTTSTSTVSSYQNLKEREVYNFPVPNPLHTYINPFHSSNSLYSSFLQSVFEEPTFTSSSSSSSPSPSLLLSSSSSTHLGHFNQLFVNADPISNNLVVCNMSTMDTDCAPFHSSN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	30.6	Very low	227 Å²	227	117.3 Å²	117.3	100%	1.118	71%	0.708	S	S	*	*				0	125.1	0	-68.9	156.3	169.2	0	0	106.5
2	T	30	Very low	30.5	Very low	136 Å²	136	112.3 Å²	112.3	83%	0.834	67%	0.671	S	S	*	*			cis	75.5	123.7	37.7	70.9	0	0	0	0	113.3
3	G	31.2	Very low	30.6	Very low	65 Å²	65	112.1 Å²	112.1	67%	0.67	67%	0.671	S	S	*	*			trans	88.2	118	-171.1	0	0	0	0	0	111.9
4	S	31.5	Very low	30.5	Very low	99 Å²	99	116 Å²	116	69%	0.692	67%	0.674	S	S	*	*			cis	69.4	131.9	5.6	125.1	0	0	0	0	113.6
5	D	30	Very low	30.5	Very low	138 Å²	138	115.6 Å²	115.6	74%	0.738	68%	0.681	S	S	*	*			cis	-148.4	160	3.5	-86.6	-51.5	0	0	0	115.4
6	S	31.1	Very low	30.6	Very low	100 Å²	100	115.3 Å²	115.3	70%	0.699	69%	0.687	S	S	*	*			trans	43.9	132.5	146.1	67.3	0	0	0	0	125.1
7	S	32.9	Very low	30.4	Very low	121 Å²	121	118.4 Å²	118.4	85%	0.846	70%	0.698	S	S	*	*			trans	97.6	143	136.3	77.4	0	0	0	0	120
8	M	31.1	Very low	30.3	Very low	164 Å²	164	118.1 Å²	118.1	81%	0.808	70%	0.703	S	S	*	*			trans	-117.2	155.2	-172.8	-62.2	166.5	56.5	0	0	110.6
9	C	28.3	Very low	30.1	Very low	74 Å²	74	120.2 Å²	120.2	50%	0.5	71%	0.709	S	S	.	*				-143	132.5	109.7	-90.7	0	0	0	0	109.2	L620 L621	C9-L620 CarbonylContact C-O 3.25Å; C9-L621 HydrophobicContact CB-CD1 4.23Å
10	D	29.2	Very low	30.1	Very low	74 Å²	74	119.8 Å²	119.8	40%	0.396	71%	0.709	S	S	.	*				-160.5	161.1	124.8	-148.5	-20.4	0	0	0	109.4	L620 L621 N622	D10-L620 VanDerWaalsContact OD1-C 3.31Å; D10-L620 VanDerWaalsContact OD2-C 3.26Å; D10-L620 WeakPolarHBondContact OD2-CA 3.24Å; D10-L620 WeakPolarHBondContact OD2-CB 3.08Å; D10-L621 WeakPolarHBondContact OD1-CA 3.36Å; D10-L621 PolarHBondContact OD1-N 3.49Å; D10-N622 PolarHBondContact OD1-N 3.47Å
11	L	29.5	Very low	30	Very low	92 Å²	92	119.8 Å²	119.8	48%	0.482	72%	0.715	S	S	.	*			trans	-132.8	159.9	178.6	-79.3	108.4	0	0	0	107.1	N622	L11-N622 HydrophobicContact CB-CB 4.27Å; L11-N622 WeakPolarHBondContact CB-OD1 3.4Å; L11-N622 CarbonylContact O-C 3.59Å; L11-N622 VanDerWaalsContact O-C 3.25Å; L11-N622 WeakPolarHBondContact O-CA 3.19Å
12	E	29.4	Very low	29.8	Very low	57 Å²	57	117 Å²	117	27%	0.266	70%	0.699	S	S	.	*			cis	-167.4	135.8	47.8	-163.9	171.1	158.9	0	0	114.8	N622 K623 H624 V625	E12-N622 WeakPolarHBondContact OE2-CB 3.36Å; E12-N622 PolarHBondContact OE2-OD1 3.07Å; E12-K623 WeakPolarHBondContact OE2-CA 3.26Å; E12-K623 PolarHBondContact OE2-N 2.93Å; E12-H624 VanDerWaalsContact OE1-C 3.31Å; E12-H624 VanDerWaalsContact OE2-CA 3.24Å; E12-H624 WeakPolarHBondContact OE2-CA 3.45Å; E12-H624 PolarHBondContact OE2-N 3.38Å; E12-H624 IonicContact OE2-ND1 3.93Å; E12-V625 WeakPolarHBondContact OE1-CA 3.18Å; E12-V625 VanDerWaalsContact OE1-CB 3.23Å; E12-V625 WeakPolarHBondContact OE1-CB 3.25Å; E12-V625 PolarHBondContact OE1-N 3.16Å
13	V	32.4	Very low	29.7	Very low	110 Å²	110	118 Å²	118	67%	0.667	70%	0.698	S	S	*	*			trans	17.2	124	148.1	-172.8	0	0	0	0	121.1
14	K	29.1	Very low	29.5	Very low	167 Å²	167	122.2 Å²	122.2	73%	0.726	70%	0.7	S	S	*	*				-166.6	129.2	120.9	-109.4	152.5	-171.6	146.6	0	116.1	H624	K14-H624 PolarHBondContact NZ-O 3.05Å
15	S	29.9	Very low	29.4	Very low	110 Å²	110	124.9 Å²	124.9	77%	0.769	70%	0.702	S	S	*	*			trans	60.4	144.7	158.2	40.1	0	0	0	0	119.6
16	S	31.7	Very low	29.3	Very low	111 Å²	111	129.8 Å²	129.8	78%	0.776	71%	0.711	S	S	*	*			cis	-162.4	166.4	-7.5	44.3	0	0	0	0	112.4
17	L	27.3	Very low	29.2	Very low	167 Å²	167	131.7 Å²	131.7	87%	0.874	71%	0.709	S	S	*	*			trans	-53.1	163.4	172.5	-61.8	122.8	0	0	0	112.8
18	S	29.2	Very low	28.9	Very low	113 Å²	113	136.2 Å²	136.2	79%	0.79	71%	0.708	S	S	*	*			cis	-164.7	166.2	41.1	57.7	0	0	0	0	115.5
19	L	26.4	Very low	28.8	Very low	158 Å²	158	135.8 Å²	135.8	83%	0.827	71%	0.709	S	S	*	*			trans	-140.2	158.9	167.1	-112	164.8	0	0	0	112.2
20	T	29.4	Very low	29.4	Very low	113 Å²	113	137.5 Å²	137.5	69%	0.693	72%	0.719	S	S	*	*			trans	52.9	128.4	165.5	46.1	0	0	0	0	122.1
21	S	29.7	Very low	29.4	Very low	120 Å²	120	140 Å²	140	84%	0.839	73%	0.731	S	S	*	*			trans	-129	125.1	134.3	59.5	0	0	0	0	108.9
22	H	27.6	Very low	29.5	Very low	168 Å²	168	143 Å²	143	78%	0.778	74%	0.741	S	S	*	*			trans	-76.4	159.3	178.8	-85.1	-72	0	0	0	112.8
23	L	26.5	Very low	29.6	Very low	158 Å²	158	147.3 Å²	147.3	83%	0.827	76%	0.761	S	S	*	*				-174.6	154.4	111.1	-94.7	163.1	0	0	0	113.6
24	H	28.2	Very low	29.6	Very low	152 Å²	152	148.2 Å²	148.2	70%	0.704	76%	0.761	S	S	*	*			trans	84.4	136.1	153.9	-100	-118.1	0	0	0	124.7
25	E	29.5	Very low	29.7	Very low	156 Å²	156	146.6 Å²	146.6	73%	0.729	76%	0.76	S	S	*	*			trans	54.5	112	153.8	-78.3	168	111.9	0	0	123.1
26	Y	27.7	Very low	29.8	Very low	240 Å²	240	146.9 Å²	146.9	94%	0.941	76%	0.757	S	S	*	*			trans	-97.1	122.6	160.3	-110.5	-97	0	0	0	110.9
27	Q	27.6	Very low	29.9	Very low	140 Å²	140	147.9 Å²	147.9	65%	0.654	76%	0.759	S	S	*	*			trans	-144.3	137.8	158.3	-91.7	-157.9	49.5	0	0	111.8
28	R	26.9	Very low	30.2	Very low	216 Å²	216	145.2 Å²	145.2	82%	0.815	75%	0.75	S	S	*	*			trans	65.1	102.4	156.3	-59.7	171.5	-162.5	-136.2	0.9	119.3
29	N	30.5	Very low	30.3	Very low	156 Å²	156	147.2 Å²	147.2	83%	0.834	75%	0.751	S	S	*	*			trans	-49.4	157.7	132.2	-86.4	-30.1	0	0	0	110.6
30	P	39.1	Very low	30.6	Very low	109 Å²	109	145 Å²	145	71%	0.708	74%	0.744	S	S	*	*				-164.5	-176.5	51.8	45.8	-23.6	0	0	0	121.6
31	L	29.4	Very low	30.7	Very low	126 Å²	126	145.1 Å²	145.1	66%	0.66	75%	0.745	S	S	*	*			trans	97.9	146	133.9	-94	172.2	0	0	0	124.7
32	F	32.4	Very low	30.9	Very low	156 Å²	156	145 Å²	145	68%	0.684	74%	0.739	S	S	*	*			trans	70.9	149.3	163.1	-63.2	-55.1	0	0	0	119.2
33	H	31.5	Very low	31.1	Very low	148 Å²	148	142.6 Å²	142.6	69%	0.685	74%	0.736	S	S	*	*			cis	-161.5	174.9	4.9	-120.4	-29.7	0	0	0	109.1
34	I	33.2	Very low	31.4	Very low	129 Å²	129	140.8 Å²	140.8	66%	0.662	73%	0.732	S	S	*	*			cis	-155.6	-153.9	-9.7	-157.3	167	0	0	0	110.3
35	N	29.4	Very low	31.6	Very low	132 Å²	132	139.9 Å²	139.9	71%	0.706	73%	0.731	S	S	*	*			trans	-154.6	166.1	-161.3	-52.8	98.4	0	0	0	110.6
36	T	32.2	Very low	31.7	Very low	116 Å²	116	138.8 Å²	138.8	71%	0.712	73%	0.73	S	S	*	*			cis	-175.2	-169.6	-9.6	27.2	0	0	0	0	110
37	T	34.8	Very low	31.8	Very low	133 Å²	133	133.6 Å²	133.6	82%	0.816	72%	0.718	S	S	*	*			trans	91	155.3	165.4	77.5	0	0	0	0	117.6
38	T	32.9	Very low	31.9	Very low	111 Å²	111	135.1 Å²	135.1	68%	0.681	73%	0.725	S	S	*	*			cis	-149.8	149.4	14.5	47.9	0	0	0	0	115.1
39	L	32.5	Very low	32.2	Very low	154 Å²	154	131.6 Å²	131.6	81%	0.806	72%	0.721	S	S	*	*			trans	54.3	153.7	139.5	-57.7	166.5	0	0	0	121
40	T	31	Very low	32.3	Very low	113 Å²	113	130.7 Å²	130.7	69%	0.693	72%	0.716	S	S	*	*			cis	-161.3	166.5	12.6	-11.5	0	0	0	0	114.6
41	T	32.9	Very low	32	Very low	115 Å²	115	130.7 Å²	130.7	71%	0.706	72%	0.715	S	S	*	*			trans	70.8	122.6	150.2	45.9	0	0	0	0	125.5
42	T	32.3	Very low	32.2	Very low	118 Å²	118	131 Å²	131	72%	0.724	72%	0.722	S	S	*	*			trans	66.6	142	146.1	54	0	0	0	0	121.4
43	T	33	Very low	32.2	Very low	117 Å²	117	128 Å²	128	72%	0.718	72%	0.72	S	S	*	*			cis	86.7	137.1	7.8	79.8	0	0	0	0	118.3
44	T	31.6	Very low	32.3	Very low	119 Å²	119	126.4 Å²	126.4	73%	0.73	72%	0.721	S	S	*	*			cis	-175.8	170.8	0.5	19.4	0	0	0	0	113.4
45	I	33.5	Very low	32.3	Very low	134 Å²	134	126.8 Å²	126.8	69%	0.687	72%	0.724	S	S	*	*			trans	93.6	115.9	147.7	-78.2	156.5	0	0	0	122.9
46	N	31.3	Very low	32.4	Very low	133 Å²	133	126.6 Å²	126.6	71%	0.711	72%	0.723	S	S	*	*			trans	55.5	120.9	140.2	-55.9	9.1	0	0	0	127.7
47	N	30.2	Very low	32.5	Very low	130 Å²	130	129.9 Å²	129.9	70%	0.695	72%	0.724	S	S	*	*				30.2	130.1	126	-49.8	3.4	0	0	0	124.1
48	H	29.7	Very low	32.5	Very low	172 Å²	172	130 Å²	130	80%	0.796	72%	0.715	S	S	*	*				167.5	171.4	98.4	-102.1	-76.3	0	0	0	113.7
49	I	33.5	Very low	32.5	Very low	142 Å²	142	131.5 Å²	131.5	73%	0.728	72%	0.715	S	S	*	*			trans	137.5	119.2	136.9	-70.8	179.4	0	0	0	117
50	N	31.2	Very low	32.5	Very low	138 Å²	138	131.3 Å²	131.3	74%	0.738	71%	0.709	S	S	*	*			trans	72.5	149.9	151.9	-67.3	3.1	0	0	0	123.8
51	T	33.8	Very low	32.7	Very low	109 Å²	109	131.7 Å²	131.7	67%	0.669	71%	0.707	S	S	*	*			cis	-170	153.5	-7.9	24.5	0	0	0	0	115.9
52	T	33.5	Very low	32.8	Very low	132 Å²	132	132.6 Å²	132.6	81%	0.81	71%	0.708	S	S	*	*			trans	65.7	158.8	148.7	49.6	0	0	0	0	124
53	S	32.5	Very low	33	Very low	93 Å²	93	132.4 Å²	132.4	65%	0.65	71%	0.707	S	S	*	*			cis	-178.7	170.1	-28.7	64.2	0	0	0	0	116.3
54	T	33.7	Very low	33	Very low	115 Å²	115	133.7 Å²	133.7	71%	0.706	71%	0.706	S	S	*	*			trans	79.8	123.3	144.1	42.1	0	0	0	0	127.8
55	N	32	Very low	33	Very low	136 Å²	136	137.1 Å²	137.1	73%	0.727	71%	0.707	S	S	*	*			trans	83.7	156.1	138.3	-66.7	18.1	0	0	0	124.4
56	N	32.4	Very low	32.9	Very low	128 Å²	128	136.3 Å²	136.3	68%	0.684	70%	0.704	S	S	*	*			cis	-177.7	152.5	-37.8	-102.3	14.5	0	0	0	116.3
57	Y	34.9	Very low	33	Very low	186 Å²	186	136.7 Å²	136.7	73%	0.729	71%	0.706	S	S	*	*			trans	89.7	118.1	138.8	-92	-128.7	0	0	0	129.4
58	Q	34.1	Very low	33.1	Very low	135 Å²	135	137.1 Å²	137.1	63%	0.631	71%	0.709	S	S	*	*				87.5	136.5	123.5	-88.9	-171	-20.2	0	0	130.4
59	Q	32.7	Very low	33.1	Very low	143 Å²	143	134.5 Å²	134.5	67%	0.668	70%	0.701	S	S	*	*			trans	77.5	147	140.7	-80	176.5	-5.5	0	0	123
60	Q	33.3	Very low	33.1	Very low	149 Å²	149	133.9 Å²	133.9	70%	0.696	70%	0.699	S	S	*	*			cis	-166.8	152.5	-14	-143.9	163.9	4.1	0	0	114.5
61	N	34.3	Very low	33.5	Very low	122 Å²	122	134 Å²	134	65%	0.652	70%	0.699	S	S	*	*			trans	3.7	161.2	153.7	-59.7	57	0	0	0	123.2
62	D	35.1	Very low	34	Very low	134 Å²	134	134.6 Å²	134.6	72%	0.717	70%	0.702	S	S	*	*			cis	-166.4	-154.4	-13.4	-83.7	-17.9	0	0	0	107.7
63	T	37.2	Very low	34	Very low	114 Å²	114	132 Å²	132	70%	0.699	68%	0.684	S	S	*	*			cis	-159	162.9	11.1	57.1	0	0	0	0	114.8
64	M	32.2	Very low	34.1	Very low	143 Å²	143	131.1 Å²	131.1	70%	0.704	67%	0.672	S	S	*	*			trans	79.5	127	133.7	-85.3	169.8	-177.8	0	0	128.7
65	Y	32.6	Very low	34	Very low	191 Å²	191	130 Å²	130	75%	0.749	66%	0.661	S	S	*	*			trans	74.8	109.9	152	-70	-65.8	0	0	0	118.7
66	D	31	Very low	33.9	Very low	117 Å²	117	129.2 Å²	129.2	63%	0.626	66%	0.655	S	S	*	*			cis	76.1	143.1	17.8	-44.7	110.4	0	0	0	116.5
67	N	33.6	Very low	33.8	Very low	142 Å²	142	128.6 Å²	128.6	76%	0.759	65%	0.646	S	S	*	*			cis	-166.1	-172.5	-21.7	-90.8	-28.8	0	0	0	106.9
68	N	32.6	Very low	33.6	Very low	139 Å²	139	126.8 Å²	126.8	74%	0.743	65%	0.654	S	S	*	*			cis	-137.9	-120	7.5	-165.9	20.4	0	0	0	110.2
69	N	29.6	Very low	33.4	Very low	117 Å²	117	129.8 Å²	129.8	63%	0.626	67%	0.665	S	S	*	*			cis	-165.8	140.7	-2.4	-155.5	77.8	0	0	0	112.4
70	N	33.1	Very low	32.9	Very low	128 Å²	128	127.6 Å²	127.6	68%	0.684	67%	0.665	S	S	*	*			trans	160.4	137.5	134.7	-89.3	13.4	0	0	0	116
71	N	40.1	Very low	32.6	Very low	141 Å²	141	122.9 Å²	122.9	75%	0.754	65%	0.649	S	S	*	*			trans	78.3	138.6	153.8	-69.7	16.9	0	0	0	123.2
72	V	43.5	Very low	32.2	Very low	121 Å²	121	122.2 Å²	122.2	73%	0.733	64%	0.643	S	S	*	*			trans	73.7	74.3	166.4	-155.6	0	0	0	0	117.7
73	D	34.7	Very low	32.1	Very low	78 Å²	78	118.7 Å²	118.7	42%	0.417	62%	0.624	S	S	.	*				49.9	136.8	100.8	-56.1	-9.7	0	0	0	120.7	C85 I86	D73-C85 WeakPolarHBondContact OD1-CA 2.96Å; D73-I86 PolarHBondContact OD1-N 2.9Å
74	N	33.8	Very low	31.7	Very low	75 Å²	75	117.3 Å²	117.3	40%	0.401	61%	0.613	S	S	.	*			trans	73	96.2	150.8	-75.8	71.3	0	0	0	120	N83 D84	N74-N83 PolarHBondContact ND2-OD1 3.33Å; N74-D84 VanDerWaalsContact CG-N 3.28Å; N74-D84 PolarHBondContact ND2-N 3.41Å; N74-D84 VanDerWaalsContact ND2-N 3.18Å; N74-D84 PolarHBondContact ND2-OD1 3.11Å; N74-D84 WeakPolarHBondContact OD1-CA 3.4Å; N74-D84 PolarHBondContact OD1-N 3.49Å; N74-D84 PolarHBondContact OD1-OD1 2.95Å
75	D	32.3	Very low	31.6	Very low	90 Å²	90	113.6 Å²	113.6	48%	0.481	60%	0.6	S	S	.	*				161.7	132.9	91.3	-97	16.8	0	0	0	114.5	M82 N83	D75-M82 VanDerWaalsContact CG-N 3.26Å; D75-M82 WeakPolarHBondContact OD1-CA 3.08Å; D75-M82 WeakPolarHBondContact OD2-CA 3.23Å; D75-M82 WeakPolarHBondContact OD2-CG 3.17Å; D75-M82 PolarHBondContact OD2-N 3.43Å; D75-N83 WeakPolarHBondContact OD1-CA 3.3Å
76	M	28	Very low	31.5	Very low	120 Å²	120	109.4 Å²	109.4	59%	0.591	59%	0.589	S	S	*	*			trans	-85.5	-170.9	-172.4	-59.5	174.7	174	0	0	114.6	S81 N83	M76-S81 CarbonylContact C-O 3.54Å; M76-S81 CarbonylContact O-C 3.55Å; M76-S81 VanDerWaalsContact O-O 3.08Å; M76-N83 WeakPolarHBondContact CE-O 3.47Å; M76-N83 WeakPolarHBondContact CG-O 3.16Å
77	K	32.1	Very low	31.7	Very low	115 Å²	115	110.4 Å²	110.4	50%	0.5	60%	0.595	S	S	.	*			trans	67.8	96.4	158.4	-59.8	176.5	-151.5	154	0	117.3	K79 S80 S81 M82	K77-K79 CarbonylContact O-C 3.34Å; K77-K79 PolarHBondContact O-N 2.81Å; K77-S80 WeakPolarHBondContact CB-O 3.42Å; K77-S80 VanDerWaalsContact CD-O 3.27Å; K77-S80 WeakPolarHBondContact CD-O 3.27Å; K77-S80 PolarHBondContact O-N 3.39Å; K77-S81 VanDerWaalsContact CB-O 3.32Å; K77-S81 WeakPolarHBondContact CB-O 3.34Å; K77-S81 VanDerWaalsContact CD-O 3.25Å; K77-S81 WeakPolarHBondContact CD-O 3.16Å; K77-S81 WeakPolarHBondContact CG-O 3.04Å; K77-S81 PolarHBondContact NZ-OG 2.83Å; K77-M82 VanDerWaalsContact CE-O 3.27Å; K77-M82 WeakPolarHBondContact CE-O 3.44Å; K77-M82 PolarHBondContact NZ-O 3.04Å
78	V	30.6	Very low	31.8	Very low	148 Å²	148	108.8 Å²	108.8	90%	0.897	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn		6.3	91.3	98	-175.5	0	0	0	0	112.7
79	K	29.2	Very low	31.9	Very low	199 Å²	199	106.7 Å²	106.7	87%	0.865	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.2	78.5	-172.1	-60.3	177.6	179.8	174.2	0	113.7	K77	K77-K79 CarbonylContact O-C 3.34Å; K77-K79 PolarHBondContact O-N 2.81Å
80	S	22	Very low	32.2	Very low	96 Å²	96	106.6 Å²	106.6	67%	0.671	58%	0.579	S	S	*	*	S	Bend	trans	69.2	133.2	164.2	69.2	0	0	0	0	117.7	K77	K77-S80 WeakPolarHBondContact CB-O 3.42Å; K77-S80 VanDerWaalsContact CD-O 3.27Å; K77-S80 WeakPolarHBondContact CD-O 3.27Å; K77-S80 PolarHBondContact O-N 3.39Å
81	S	26.5	Very low	32.5	Very low	51 Å²	51	106.4 Å²	106.4	36%	0.357	58%	0.576	S	S	.	*			trans	84.3	134.3	160.7	100	0	0	0	0	117.5	M76 K77	M76-S81 CarbonylContact C-O 3.54Å; M76-S81 CarbonylContact O-C 3.55Å; M76-S81 VanDerWaalsContact O-O 3.08Å; K77-S81 VanDerWaalsContact CB-O 3.32Å; K77-S81 WeakPolarHBondContact CB-O 3.34Å; K77-S81 VanDerWaalsContact CD-O 3.25Å; K77-S81 WeakPolarHBondContact CD-O 3.16Å; K77-S81 WeakPolarHBondContact CG-O 3.04Å; K77-S81 PolarHBondContact NZ-OG 2.83Å
82	M	26.6	Very low	32.2	Very low	107 Å²	107	105.5 Å²	105.5	53%	0.527	57%	0.572	S	S	.	*				52.3	114.4	110.5	-69.3	172	169.2	0	0	116.2	D75 K77	D75-M82 VanDerWaalsContact CG-N 3.26Å; D75-M82 WeakPolarHBondContact OD1-CA 3.08Å; D75-M82 WeakPolarHBondContact OD2-CA 3.23Å; D75-M82 WeakPolarHBondContact OD2-CG 3.17Å; D75-M82 PolarHBondContact OD2-N 3.43Å; K77-M82 VanDerWaalsContact CE-O 3.27Å; K77-M82 WeakPolarHBondContact CE-O 3.44Å; K77-M82 PolarHBondContact NZ-O 3.04Å
83	N	31.8	Very low	31.6	Very low	60 Å²	60	105.4 Å²	105.4	32%	0.321	57%	0.567	S	S	.	*			cis	-167.3	168.5	44.4	-117.3	16.7	0	0	0	114.5	N74 D75 M76	N74-N83 PolarHBondContact ND2-OD1 3.33Å; D75-N83 WeakPolarHBondContact OD1-CA 3.3Å; M76-N83 WeakPolarHBondContact CE-O 3.47Å; M76-N83 WeakPolarHBondContact CG-O 3.16Å
84	D	30.3	Very low	31.5	Very low	85 Å²	85	106.5 Å²	106.5	46%	0.455	58%	0.577	S	S	.	*				60.6	155.5	127.6	-60.3	2.3	0	0	0	123.3	N74	N74-D84 VanDerWaalsContact CG-N 3.28Å; N74-D84 PolarHBondContact ND2-N 3.41Å; N74-D84 VanDerWaalsContact ND2-N 3.18Å; N74-D84 PolarHBondContact ND2-OD1 3.11Å; N74-D84 WeakPolarHBondContact OD1-CA 3.4Å; N74-D84 PolarHBondContact OD1-N 3.49Å; N74-D84 PolarHBondContact OD1-OD1 2.95Å
85	C	30	Very low	31.5	Very low	65 Å²	65	111 Å²	111	44%	0.439	60%	0.595	S	S	.	*			cis	-173.6	158.8	-19.3	-104.3	0	0	0	0	112.6	D73	D73-C85 WeakPolarHBondContact OD1-CA 2.96Å
86	I	30.6	Very low	31.3	Very low	103 Å²	103	111.1 Å²	111.1	53%	0.528	60%	0.603	S	S	.	*			trans	52.1	139	130.6	-58.6	165.4	0	0	0	120.4	D73	D73-I86 PolarHBondContact OD1-N 2.9Å
87	N	35.4	Very low	31.4	Very low	139 Å²	139	111.6 Å²	111.6	74%	0.743	61%	0.613	S	S	*	*			trans	177.9	145.9	134.9	-94.1	-8.5	0	0	0	113.4
88	D	33.9	Very low	31.3	Very low	108 Å²	108	112.3 Å²	112.3	58%	0.578	63%	0.627	S	S	*	*			cis	-169.5	173	-20.5	-148.8	-5.4	0	0	0	114
89	N	35	Very low	31.3	Very low	95 Å²	95	111 Å²	111	51%	0.508	62%	0.619	S	S	.	*			trans	69	131.6	144.5	-76.2	-45.7	0	0	0	124.9	I91	N89-I91 HydrophobicContact CB-CD1 4.23Å; N89-I91 WeakPolarHBondContact OD1-CD1 3.3Å
90	T	36.3	Very low	31.4	Very low	114 Å²	114	108.1 Å²	108.1	70%	0.699	61%	0.611	S	S	*	*				-173.5	129.2	91.1	26.8	0	0	0	0	110.5
91	I	39.3	Very low	31.6	Very low	124 Å²	124	112.5 Å²	112.5	64%	0.636	62%	0.621	S	S	*	*				80.8	130.4	51.2	-69.6	177.9	0	0	0	111.6	N89	N89-I91 HydrophobicContact CB-CD1 4.23Å; N89-I91 WeakPolarHBondContact OD1-CD1 3.3Å
92	N	34	Very low	31.8	Very low	123 Å²	123	113.8 Å²	113.8	66%	0.658	64%	0.635	S	S	*	*			cis	-151.3	-174.9	24.1	-157.7	26.8	0	0	0	115.4
93	D	31.7	Very low	32	Very low	119 Å²	119	116.5 Å²	116.5	64%	0.636	65%	0.646	S	S	*	*			trans	81.6	156.6	149.3	-73.4	-53.7	0	0	0	122.1
94	T	32.8	Very low	31.9	Very low	101 Å²	101	119.2 Å²	119.2	62%	0.62	66%	0.661	S	S	*	*				-170.2	172.5	-61.1	38.1	0	0	0	0	113.6
95	H	32.1	Very low	32	Very low	168 Å²	168	122.8 Å²	122.8	78%	0.778	68%	0.675	S	S	*	*			trans	81.7	102.9	150	-75.6	-63.1	0	0	0	124.9
96	S	29.7	Very low	32	Very low	94 Å²	94	125.7 Å²	125.7	66%	0.657	69%	0.686	S	S	*	*				111.5	111.2	113	73.6	0	0	0	0	123.1
97	T	29.6	Very low	32.4	Very low	129 Å²	129	125.5 Å²	125.5	79%	0.791	69%	0.691	S	S	*	*			trans	73.5	156.4	137.9	48.1	0	0	0	0	123.8
98	T	30.8	Very low	32.2	Very low	130 Å²	130	130.5 Å²	130.5	80%	0.798	70%	0.7	S	S	*	*			trans	82.8	125.1	164.9	34.4	0	0	0	0	122.4
99	V	30.4	Very low	31.8	Very low	121 Å²	121	135 Å²	135	73%	0.733	71%	0.708	S	S	*	*			trans	84.8	96.2	140	175.8	0	0	0	0	120.9
100	I	29.9	Very low	31.9	Very low	138 Å²	138	133.4 Å²	133.4	71%	0.708	70%	0.704	S	S	*	*				59.6	125.6	118.5	-60	166.9	0	0	0	121.9
101	H	27.3	Very low	31.8	Very low	188 Å²	188	132.6 Å²	132.6	87%	0.87	69%	0.694	S	S	*	*			trans	69.8	160.6	153.5	-79.9	-49.6	0	0	0	122.8
102	A	30.5	Very low	31.6	Very low	78 Å²	78	129.9 Å²	129.9	65%	0.645	69%	0.685	S	S	*	*			trans	92.3	88.9	152.4	0	0	0	0	0	120.1
103	E	30.3	Very low	31.5	Very low	165 Å²	165	129.4 Å²	129.4	77%	0.771	68%	0.681	S	S	*	*				86.3	123.4	112.4	-80.1	-176.7	-132.1	0	0	123.7
104	N	30.5	Very low	31.5	Very low	117 Å²	117	128.9 Å²	128.9	63%	0.626	68%	0.682	S	S	*	*			trans	96	87.9	133.7	-57.8	-11.4	0	0	0	121.9
105	E	31.7	Very low	31.3	Very low	160 Å²	160	130.2 Å²	130.2	75%	0.748	69%	0.686	S	S	*	*				97.1	108.6	114.2	-68.5	-146.5	162.1	0	0	122.3
106	N	30.6	Very low	31.1	Very low	125 Å²	125	127.9 Å²	127.9	67%	0.668	68%	0.684	S	S	*	*				99.4	139.9	125.8	-75.8	-35.5	0	0	0	121
107	P	38.6	Very low	31.1	Very low	99 Å²	99	128.2 Å²	128.2	64%	0.643	69%	0.686	S	S	*	*				-142.3	143.4	-123.9	37.3	-15.8	0	0	0	119.4
108	R	30.7	Very low	31.2	Very low	244 Å²	244	128.6 Å²	128.6	92%	0.921	68%	0.683	S	S	*	*				52.3	161.7	123	-59.3	-172.2	171.5	-153.4	-1.6	124.1
109	R	26.2	Very low	31.2	Very low	202 Å²	202	128.9 Å²	128.9	76%	0.762	68%	0.679	S	S	*	*			trans	-84.2	-154.3	160.9	-54.2	-178.5	176.7	-178.7	-1.8	111
110	P	37.9	Very low	31.3	Very low	63 Å²	63	131.7 Å²	131.7	41%	0.409	68%	0.684	S	S	.	*				-130	169.5	-115.1	36.3	-14.2	0	0	0	118.2	E1675 Q1676	P110-E1675 VanDerWaalsContact CB-O 3.25Å; P110-E1675 WeakPolarHBondContact CB-O 3.3Å; P110-E1675 WeakPolarHBondContact CG-O 3.34Å; P110-Q1676 HydrophobicContact CB-CB 3.56Å; P110-Q1676 WeakPolarHBondContact CB-O 3.48Å; P110-Q1676 WeakPolarHBondContact CG-O 3.38Å
111	I	33.5	Very low	31.5	Very low	96 Å²	96	128.1 Å²	128.1	49%	0.492	68%	0.682	S	S	.	*			trans	176.8	145.9	168.7	-101.1	-72.2	0	0	0	110.7	V1673	I111-V1673 HydrophobicContact CD1-CG1 4.33Å; I111-V1673 WeakPolarHBondContact CD1-O 3.42Å
112	P	35.9	Very low	31.8	Very low	68 Å²	68	125 Å²	125	44%	0.442	68%	0.681	S	S	.	*				-163.5	-19.9	117.5	41.7	-21	0	0	0	124	E1675	P112-E1675 WeakPolarHBondContact CD-OE2 3.2Å
113	L	30.4	Very low	32	Very low	113 Å²	113	126.9 Å²	126.9	59%	0.592	68%	0.684	S	S	*	*			trans	-76.9	132.4	-160	-71.1	-178	0	0	0	115	E1675	L113-E1675 HydrophobicContact CD1-CG 4.38Å; L113-E1675 HydrophobicContact CG-CG 4.34Å
114	T	31.7	Very low	32.2	Very low	107 Å²	107	123.8 Å²	123.8	66%	0.656	68%	0.681	S	S	*	*			cis	-145.5	175.3	-7.2	51.3	0	0	0	0	107.6
115	N	28.6	Very low	32.4	Very low	130 Å²	130	124.8 Å²	124.8	70%	0.695	69%	0.686	S	S	*	*			cis	-161	161.4	19.5	-145.9	-9.1	0	0	0	111
116	T	28.2	Very low	32.6	Very low	119 Å²	119	123.8 Å²	123.8	73%	0.73	69%	0.691	S	S	*	*			trans	41	118.4	161.2	55.8	0	0	0	0	119
117	S	30.3	Very low	32.6	Very low	100 Å²	100	121.7 Å²	121.7	70%	0.699	70%	0.699	S	S	*	*				177.4	172.7	71.8	46	0	0	0	0	112.7
118	N	31.2	Very low	32.2	Very low	137 Å²	137	120.3 Å²	120.3	73%	0.733	70%	0.703	S	S	*	*			trans	76.4	98.3	162.7	-60.4	-16.4	0	0	0	120.4
119	L	31.6	Very low	32.4	Very low	136 Å²	136	116.5 Å²	116.5	71%	0.712	70%	0.701	S	S	*	*				69.7	130.6	117.1	-67.2	161	0	0	0	121.9
120	E	32.6	Very low	33	Very low	180 Å²	180	110.7 Å²	110.7	84%	0.841	69%	0.691	S	S	*	*			trans	67.2	129.3	146.6	-64.7	166.2	-154.4	0	0	119.4
121	G	33.3	Very low	32.8	Very low	64 Å²	64	114.3 Å²	114.3	66%	0.66	71%	0.707	S	S	*	*			cis	172.9	159.6	-8.3	0	0	0	0	0	114.5
122	S	33.1	Very low	32.8	Very low	121 Å²	121	118.3 Å²	118.3	85%	0.846	72%	0.721	S	S	*	*			trans	59.3	125.5	167.1	50.3	0	0	0	0	119.4
123	T	35.2	Very low	32.5	Very low	118 Å²	118	123 Å²	123	72%	0.724	74%	0.737	S	S	*	*			cis	-148.7	-135.9	-10.6	-36.9	0	0	0	0	107.4
124	S	34.4	Very low	32.6	Very low	100 Å²	100	122.9 Å²	122.9	70%	0.699	74%	0.741	S	S	*	*			cis	-176.9	168.8	-12.6	30.3	0	0	0	0	108.1
125	N	34	Very low	32.5	Very low	138 Å²	138	126.6 Å²	126.6	74%	0.738	75%	0.753	S	S	*	*			cis	179.3	147.4	-33.4	-87	-17.7	0	0	0	107.6
126	V	36.1	Very low	32.6	Very low	139 Å²	139	125.9 Å²	125.9	84%	0.842	76%	0.758	S	S	*	*			cis	-166.6	145.9	-28	102.9	0	0	0	0	109.8
127	G	30.7	Very low	32.5	Very low	81 Å²	81	123.6 Å²	123.6	84%	0.835	76%	0.759	S	S	*	*			trans	94.5	152	166.7	0	0	0	0	0	117.8
128	G	31.8	Very low	32.4	Very low	71 Å²	71	126 Å²	126	73%	0.732	76%	0.764	S	S	*	*			cis	168.7	157.4	-10.7	0	0	0	0	0	116
129	N	32.9	Very low	32.4	Very low	164 Å²	164	125.1 Å²	125.1	88%	0.877	76%	0.763	S	S	*	*			trans	66.7	157.6	163.2	-67.2	-8	0	0	0	121.2
130	S	39.8	Very low	32.4	Very low	80 Å²	80	125.9 Å²	125.9	56%	0.559	77%	0.766	S	S	*	*			cis	-178.6	158	-38.2	56.6	0	0	0	0	113
131	N	33.3	Very low	32.6	Very low	139 Å²	139	121.8 Å²	121.8	74%	0.743	76%	0.756	S	S	*	*			trans	79.5	157.1	152.9	-60.9	-15.3	0	0	0	122.2
132	F	33.4	Very low	32.6	Very low	180 Å²	180	128.1 Å²	128.1	79%	0.789	77%	0.765	S	S	*	*			cis	-173	164.3	-44.4	-131.5	-77.3	0	0	0	111.8
133	Q	30.9	Very low	32.3	Very low	166 Å²	166	129.6 Å²	129.6	78%	0.776	76%	0.763	S	S	*	*			trans	73.8	140	162.7	-61.8	179.5	-6	0	0	119.5
134	T	32.1	Very low	32.2	Very low	111 Å²	111	129.1 Å²	129.1	68%	0.681	76%	0.762	S	S	*	*			cis	115.1	112.1	-7.9	71	0	0	0	0	119.3
135	M	28.2	Very low	32	Very low	184 Å²	184	131.4 Å²	131.4	91%	0.906	77%	0.765	S	S	*	*				58.6	160.5	127.8	-71.3	-165.8	174.9	0	0	122.3
136	S	31	Very low	31.6	Very low	115 Å²	115	129.7 Å²	129.7	80%	0.804	76%	0.763	S	S	*	*			cis	-171.8	175.1	-19.3	57.5	0	0	0	0	110.5
137	G	27.1	Very low	31.3	Very low	71 Å²	71	126.4 Å²	126.4	73%	0.732	75%	0.751	S	S	*	*			trans	173.4	128	166.6	0	0	0	0	0	116.4
138	N	28.9	Very low	31.3	Very low	152 Å²	152	126.5 Å²	126.5	81%	0.813	74%	0.735	S	S	*	*			trans	-120.9	161.8	178.4	-72.5	-39.5	0	0	0	110.3
139	T	30.5	Very low	31.1	Very low	117 Å²	117	128.3 Å²	128.3	72%	0.718	73%	0.728	S	S	*	*				171.1	150.1	80.9	34.6	0	0	0	0	113.7
140	I	30.6	Very low	30.9	Very low	152 Å²	152	126.5 Å²	126.5	78%	0.779	72%	0.719	S	S	*	*			trans	66.6	146.8	136.3	-70.2	169.2	0	0	0	120.3
141	P	37.3	Very low	30.3	Very low	94 Å²	94	126.3 Å²	126.3	61%	0.61	73%	0.729	S	S	*	*			cis	-136.5	-172.1	-30.8	38.6	-18.3	0	0	0	114.4
142	F	34	Very low	30	Very low	198 Å²	198	129.3 Å²	129.3	87%	0.868	73%	0.73	S	S	*	*				170.8	163.7	121.5	-102.6	-75.7	0	0	0	115.2
143	L	26.6	Very low	29.7	Very low	152 Å²	152	129.5 Å²	129.5	80%	0.796	73%	0.727	S	S	*	*			trans	-87	176.1	175.9	-80.2	162.4	0	0	0	111.2
144	P	31.7	Very low	29.5	Very low	107 Å²	107	129 Å²	129	70%	0.695	72%	0.724	S	S	*	*			cis	-156.6	167.3	32.8	45	-22.6	0	0	0	122.2
145	I	30.3	Very low	29.1	Very low	149 Å²	149	133.9 Å²	133.9	76%	0.764	73%	0.73	S	S	*	*			trans	62.8	120.7	135.9	-64	166.6	0	0	0	122.6
146	S	27.2	Very low	29.2	Very low	101 Å²	101	130.5 Å²	130.5	71%	0.706	72%	0.722	S	S	*	*			trans	-48.9	160	167.5	56.6	0	0	0	0	122.7
147	A	29.6	Very low	29.2	Very low	71 Å²	71	129.6 Å²	129.6	59%	0.587	71%	0.713	S	S	*	*			trans	69.5	149.5	131.7	0	0	0	0	0	121.5
148	T	29.4	Very low	29.4	Very low	82 Å²	82	130.9 Å²	130.9	50%	0.503	71%	0.712	S	S	.	*			cis	-161.1	163.2	-15.1	18.7	0	0	0	0	112.1	F1811	T148-F1811 WeakPolarHBondContact O-CD2 3.37Å; T148-F1811 WeakPolarHBondContact O-CG 3.15Å
149	N	28.6	Very low	29.4	Very low	109 Å²	109	132 Å²	132	58%	0.583	71%	0.714	S	S	*	*			trans	75	-174.7	147.4	-80	59.1	0	0	0	122.7	F1811	N149-F1811 HydrophobicContact CB-CD1 4.07Å; N149-F1811 HydrophobicContact CB-CD2 4.36Å; N149-F1811 HydrophobicContact CB-CE1 3.62Å; N149-F1811 HydrophobicContact CB-CE2 3.97Å; N149-F1811 HydrophobicContact CB-CG 4.44Å; N149-F1811 HydrophobicContact CB-CZ 3.59Å
150	D	27.5	Very low	29.2	Very low	127 Å²	127	136.8 Å²	136.8	68%	0.679	72%	0.719	S	S	*	*				-90.6	157	-127.2	-48.3	-87	0	0	0	119.3
151	G	28.7	Very low	28.9	Very low	75 Å²	75	139 Å²	139	77%	0.773	72%	0.719	S	S	*	*			trans	-176.4	41.9	173.9	0	0	0	0	0	118.6
152	R	26.5	Very low	28.4	Very low	202 Å²	202	138.9 Å²	138.9	76%	0.762	72%	0.72	S	S	*	*			trans	3.3	128.3	172.3	-53.1	179.7	-175.6	-174.9	1.9	119.1
153	Y	27.8	Very low	28	Very low	184 Å²	184	135 Å²	135	72%	0.722	72%	0.717	S	S	*	*				173.5	140.7	97.2	-100.2	-71.5	0	0	0	114.2
154	E	25.7	Very low	28.2	Very low	155 Å²	155	132.5 Å²	132.5	72%	0.724	72%	0.719	S	S	*	*			trans	71.5	121.7	154.2	-60.1	-146.6	130.3	0	0	123.7
155	W	23	Very low	28	Very low	214 Å²	214	134.6 Å²	134.6	81%	0.811	72%	0.724	S	S	*	*			trans	41.6	143.5	138.6	-61.5	84.2	0	0	0	121.3
156	P	30.3	Very low	28	Very low	114 Å²	114	133.3 Å²	133.3	74%	0.74	72%	0.723	S	S	*	*			cis	-143.5	-152.7	41.1	46.7	-26.9	0	0	0	112.4
157	P	32.8	Very low	28.1	Very low	95 Å²	95	135.6 Å²	135.6	62%	0.617	73%	0.728	S	S	*	*			cis	-131.6	166.3	-14.4	40	-24.1	0	0	0	116.2
158	S	30.8	Very low	28	Very low	99 Å²	99	143.3 Å²	143.3	69%	0.692	74%	0.742	S	S	*	*			trans	55.3	153.9	148	58.4	0	0	0	0	121.7
159	M	29.3	Very low	27.9	Very low	174 Å²	174	149.5 Å²	149.5	86%	0.857	76%	0.762	S	S	*	*			cis	-153.4	128.5	-26.4	-100.4	-172.8	-160.2	0	0	105.5
160	R	25.3	Very low	27.8	Very low	219 Å²	219	150.3 Å²	150.3	83%	0.826	77%	0.765	S	S	*	*				43.5	106.8	100.5	-81.8	-166.3	179.8	-169.6	3.9	117.4
161	Y	25.1	Very low	27.7	Very low	198 Å²	198	151.3 Å²	151.3	78%	0.776	77%	0.766	S	S	*	*			trans	83.8	120.7	138.1	-80.3	-71.1	0	0	0	122.7
162	S	26.3	Very low	27.8	Very low	91 Å²	91	150.7 Å²	150.7	64%	0.636	76%	0.759	S	S	*	*			trans	65.7	95.8	134	66.3	0	0	0	0	120.6
163	S	26	Very low	28	Very low	116 Å²	116	145.7 Å²	145.7	81%	0.811	75%	0.746	S	S	*	*				48.2	95.4	120.7	66.8	0	0	0	0	119
164	A	29.4	Very low	27.9	Very low	100 Å²	100	139.3 Å²	139.3	83%	0.826	73%	0.725	S	S	*	*			trans	-146.4	90.5	154.3	0	0	0	0	0	111
165	N	28.1	Very low	28.2	Very low	151 Å²	151	136.1 Å²	136.1	81%	0.807	72%	0.716	S	S	*	*			trans	-78.3	126.5	166.1	-68	-6.4	0	0	0	108.9
166	T	30.9	Very low	28.6	Very low	122 Å²	122	130.6 Å²	130.6	75%	0.748	70%	0.702	S	S	*	*				177.2	107.5	91.8	43.3	0	0	0	0	110.6
167	D	28.5	Very low	28.6	Very low	149 Å²	149	127.6 Å²	127.6	80%	0.797	68%	0.682	S	S	*	*			trans	25.9	115.8	133.6	-40.2	-38.1	0	0	0	119.2
168	R	27.7	Very low	28.5	Very low	234 Å²	234	124.8 Å²	124.8	88%	0.883	66%	0.662	S	S	*	*				-162.3	97	124.9	-109.2	-177.6	-171.6	-167	1.5	111.4
169	F	28.4	Very low	28.5	Very low	212 Å²	212	123.8 Å²	123.8	93%	0.93	65%	0.649	S	S	*	*				-153.2	161.2	121.9	-116.1	-81.1	0	0	0	108.7
170	I	26.3	Very low	28.4	Very low	126 Å²	126	119.4 Å²	119.4	65%	0.646	62%	0.622	S	S	*	*			trans	-141	148.5	-159.2	-82.7	176.2	0	0	0	110.2
171	Q	25.6	Very low	28.6	Very low	148 Å²	148	115.9 Å²	115.9	69%	0.692	62%	0.616	S	S	*	*			trans	69.8	129	172.9	-72.9	146.7	-8.1	0	0	116.2
172	G	30.9	Very low	28.9	Very low	61 Å²	61	112 Å²	112	63%	0.629	60%	0.604	S	S	*	*			trans	-155.7	-13.2	-172.3	0	0	0	0	0	116.8	D1694	G172-D1694 PolarHBondContact N-OD2 3.41Å
173	I	30.7	Very low	29.1	Very low	98 Å²	98	112.8 Å²	112.8	50%	0.503	60%	0.601	S	S	.	*			trans	73.8	151.3	153.8	78.1	172.2	0	0	0	120.4	Q1693 D1694 I1695 C1696	I173-Q1693 CarbonylContact C-O 3.58Å; I173-Q1693 VanDerWaalsContact C-O 3.25Å; I173-Q1693 PolarHBondContact N-O 2.95Å; I173-D1694 PolarHBondContact N-OD2 3Å; I173-I1695 VanDerWaalsContact CB-O 3.32Å; I173-I1695 WeakPolarHBondContact CB-O 3.16Å; I173-I1695 HydrophobicContact CG2-CB 4.46Å; I173-I1695 HydrophobicContact CG2-CG2 3.65Å; I173-C1696 HydrophobicContact CG2-CB 4.42Å
174	N	25.7	Very low	29.3	Very low	50 Å²	50	115.1 Å²	115.1	27%	0.267	60%	0.597	S	S	.	*			trans	-132.8	-176.4	-136.1	-156.2	-3.5	0	0	0	114.4	M1692 Q1693 D1694 I1695	N174-M1692 VanDerWaalsContact OD1-C 3.32Å; N174-Q1693 VanDerWaalsContact CB-C 3.47Å; N174-Q1693 VanDerWaalsContact OD1-CA 3.22Å; N174-Q1693 WeakPolarHBondContact OD1-CA 3.32Å; N174-Q1693 PolarHBondContact OD1-N 3.45Å; N174-Q1693 VanDerWaalsContact OD1-N 3.13Å; N174-D1694 VanDerWaalsContact CB-N 3.29Å; N174-D1694 VanDerWaalsContact CB-O 3.31Å; N174-D1694 WeakPolarHBondContact CB-O 3.06Å; N174-D1694 PolarHBondContact ND2-O 2.81Å; N174-I1695 VanDerWaalsContact CB-O 3.27Å; N174-I1695 WeakPolarHBondContact CB-O 3.48Å; N174-I1695 PolarHBondContact N-O 3.37Å
175	T	30.6	Very low	29.4	Very low	87 Å²	87	116.4 Å²	116.4	53%	0.534	58%	0.581	S	S	.	*			trans	75.1	131.7	169.7	74.1	0	0	0	0	112.9
176	N	31.1	Very low	29.5	Very low	99 Å²	99	112.1 Å²	112.1	53%	0.529	56%	0.558	S	S	.	*			cis	-157.5	162.3	-2.8	-126.8	7.7	0	0	0	112
177	T	31.2	Very low	29.5	Very low	51 Å²	51	112.6 Å²	112.6	31%	0.313	55%	0.552	S	S	.	*			trans	9.4	132.9	137.9	61.2	0	0	0	0	117.1	Q530	T177-Q530 PolarHBondContact O-NE2 2.77Å
178	D	31.4	Very low	29.6	Very low	36 Å²	36	113.3 Å²	113.3	19%	0.193	55%	0.554	C	S	.	*			cis	-177.1	160.2	23	-107.2	7.8	0	0	0	111.3	I531 Q532 N1687 R1688 L1689 R1690	D178-I531 WeakPolarHBondContact O-CD1 3.28Å; D178-Q532 PolarHBondContact O-NE2 3.5Å; D178-N1687 WeakPolarHBondContact CB-O 3Å; D178-R1688 VanDerWaalsContact CB-C 3.44Å; D178-R1688 WeakPolarHBondContact OD2-CA 3.45Å; D178-L1689 VanDerWaalsContact CB-N 3.31Å; D178-L1689 WeakPolarHBondContact OD1-CA 3.33Å; D178-L1689 WeakPolarHBondContact OD2-CA 3.39Å; D178-L1689 PolarHBondContact OD2-N 3.03Å; D178-R1690 PolarHBondContact OD1-N 3.39Å
179	N	29.6	Very low	29.7	Very low	78 Å²	78	108.2 Å²	108.2	42%	0.417	55%	0.549	S	S	.	.			trans	-46.3	175.5	180	-40.7	-59.7	0	0	0	118	Q532 R1688 L1689	N179-Q532 PolarHBondContact O-NE2 2.85Å; N179-R1688 CarbonylContact C-O 3.57Å; N179-R1688 WeakPolarHBondContact CA-O 3.18Å; N179-R1688 WeakPolarHBondContact CB-O 3.17Å; N179-R1688 PolarHBondContact N-O 2.7Å; N179-L1689 PolarHBondContact N-O 2.89Å; N179-L1689 WeakPolarHBondContact ND2-CB 3.46Å; N179-L1689 PolarHBondContact ND2-N 3.45Å; N179-L1689 VanDerWaalsContact ND2-N 3.12Å; N179-L1689 PolarHBondContact ND2-O 2.87Å; N179-L1689 PolarHBondContact OD1-O 3.49Å
180	R	26.9	Very low	29.9	Very low	81 Å²	81	102.9 Å²	102.9	31%	0.306	54%	0.538	S	S	.	.				-157.5	103	106.7	-96.7	-158.5	177.6	177.6	7.3	114.2	Q533 N1687 R1688	R180-Q533 PolarHBondContact O-OE1 3.17Å; R180-N1687 HydrophobicContact CG-CB 3.87Å; R180-N1687 PolarHBondContact NE-OD1 3.31Å; R180-N1687 VanDerWaalsContact NE-OD1 3.09Å; R180-N1687 PolarHBondContact NH1-OD1 3.01Å; R180-N1687 VanDerWaalsContact NH1-OD1 3.14Å; R180-N1687 PolarHBondContact NH2-OD1 3.18Å; R180-N1687 VanDerWaalsContact NH2-OD1 3.11Å; R180-R1688 HydrophobicContact CG-CG 4.25Å
181	Q	29.8	Very low	30.1	Very low	146 Å²	146	103.4 Å²	103.4	68%	0.682	54%	0.542	S	S	*	.			trans	-91.8	139.4	139.9	-83.9	-176.3	-67.3	0	0	107.2	R1688	Q181-R1688 PolarHBondContact O-NH1 2.85Å
182	E	32.8	Very low	30.4	Very low	116 Å²	116	101.8 Å²	101.8	54%	0.542	54%	0.539	S	S	.	.			cis	-131.6	177.8	-11.5	-114.7	142.5	-167	0	0	107.1
183	D	29	Very low	30.4	Very low	107 Å²	107	104.8 Å²	104.8	57%	0.572	54%	0.54	S	S	*	.			cis	-143.2	-179.5	23.7	-141.4	-31.6	0	0	0	114.9	Q534	D183-Q534 VanDerWaalsContact N-NE2 3.16Å; D183-Q534 PolarHBondContact O-NE2 3.11Å
184	F	31.7	Very low	30.4	Very low	165 Å²	165	106.5 Å²	106.5	72%	0.724	55%	0.551	S	S	*	*			trans	-4	135	173.3	-111	-121.6	0	0	0	121.4
185	R	30.8	Very low	30.6	Very low	128 Å²	128	109.9 Å²	109.9	48%	0.483	57%	0.568	S	S	.	*			trans	70.7	126.9	155.1	-78.1	-176.5	178.3	175.6	-2.6	121	S535 D536	R185-S535 WeakPolarHBondContact O-CA 3.28Å; R185-S535 WeakPolarHBondContact O-CB 3.31Å; R185-D536 HydrophobicContact CB-CB 4.38Å; R185-D536 WeakPolarHBondContact CB-OD1 3.49Å; R185-D536 WeakPolarHBondContact CD-OD1 2.96Å; R185-D536 IonicContact NH1-OD1 2.71Å; R185-D536 VanDerWaalsContact O-CA 3.29Å; R185-D536 WeakPolarHBondContact O-CA 3.17Å
186	N	29.4	Very low	30.6	Very low	61 Å²	61	114.9 Å²	114.9	33%	0.326	58%	0.579	S	S	.	*				79.6	130	125.9	-64.8	20	0	0	0	123.6	S535 D536 S537	N186-S535 CarbonylContact O-C 3.44Å; N186-S535 VanDerWaalsContact O-C 3.23Å; N186-S535 WeakPolarHBondContact O-CA 3.29Å; N186-D536 PolarHBondContact O-N 3.07Å; N186-S537 VanDerWaalsContact ND2-C 3.26Å; N186-S537 PolarHBondContact ND2-O 3.49Å
187	Q	32.5	Very low	30.5	Very low	132 Å²	132	116 Å²	116	62%	0.617	59%	0.585	S	S	*	*			trans	46.3	116.2	131.3	-57.1	177.5	51.6	0	0	120	S537	Q187-S537 PolarHBondContact NE2-O 3.29Å
188	L	29.9	Very low	30.6	Very low	163 Å²	163	122.3 Å²	122.3	85%	0.853	61%	0.608	S	S	*	*				-143.8	164.8	90.8	-90	157.2	0	0	0	106.4
189	T	29.3	Very low	30.6	Very low	127 Å²	127	128.7 Å²	128.7	78%	0.779	63%	0.634	S	S	*	*			cis	-156.4	154.2	39.1	48.1	0	0	0	0	112.2
190	S	31.9	Very low	30.7	Very low	100 Å²	100	129.6 Å²	129.6	70%	0.699	65%	0.647	S	S	*	*				-172.5	129	124.5	61.8	0	0	0	0	114
191	N	31.3	Very low	30.9	Very low	137 Å²	137	131.9 Å²	131.9	73%	0.733	67%	0.665	S	S	*	*			trans	72	95	146.2	-59.6	-8.2	0	0	0	122.4
192	N	32.1	Very low	31.1	Very low	115 Å²	115	131.3 Å²	131.3	62%	0.615	67%	0.667	S	S	*	*				71.1	116.1	112.1	-59.7	-9.9	0	0	0	122.5
193	N	31.6	Very low	31.1	Very low	123 Å²	123	131.3 Å²	131.3	66%	0.658	68%	0.675	S	S	*	*				63.6	136.4	121.1	-57.4	-5.3	0	0	0	120.6
194	N	29.3	Very low	31.1	Very low	135 Å²	135	129.5 Å²	129.5	72%	0.722	68%	0.675	S	S	*	*			cis	-166.8	175.4	-14.1	-122	-8.5	0	0	0	111.3
195	N	29.7	Very low	31	Very low	120 Å²	120	127.4 Å²	127.4	64%	0.642	67%	0.671	S	S	*	*			trans	86	124.2	151.7	-80.9	5	0	0	0	123
196	Y	31.2	Very low	31	Very low	193 Å²	193	127 Å²	127	76%	0.757	68%	0.678	S	S	*	*			trans	86.2	126.5	144.3	-72.9	-57.6	0	0	0	123.8
197	N	29.5	Very low	31.1	Very low	123 Å²	123	130.9 Å²	130.9	66%	0.658	70%	0.695	S	S	*	*			trans	66.6	129.6	160.6	-54.8	-31.9	0	0	0	115.7
198	F	33.7	Very low	31.2	Very low	182 Å²	182	130.5 Å²	130.5	80%	0.798	70%	0.696	S	S	*	*			cis	-125.2	140.6	17.3	-105.2	-100.6	0	0	0	109.2
199	K	29.8	Very low	31.3	Very low	170 Å²	170	128.6 Å²	128.6	74%	0.739	69%	0.686	S	S	*	*				44.5	116.4	72.4	-74	-174.3	176.2	-178.3	0	111.1
200	S	32.4	Very low	31.4	Very low	98 Å²	98	129.9 Å²	129.9	69%	0.685	68%	0.683	S	S	*	*				150	160.3	69	41.3	0	0	0	0	105.5
201	N	31.8	Very low	31.3	Very low	129 Å²	129	127.3 Å²	127.3	69%	0.69	66%	0.664	S	S	*	*			cis	-167.7	158.1	-5	-107.4	14.8	0	0	0	107.2
202	N	32.6	Very low	31.4	Very low	133 Å²	133	122 Å²	122	71%	0.711	64%	0.635	S	S	*	*			trans	59.8	151.3	143.2	-60	10.8	0	0	0	120.3
203	T	32.7	Very low	31.5	Very low	117 Å²	117	119.2 Å²	119.2	72%	0.718	62%	0.619	S	S	*	*			cis	-160.7	160.4	-18.5	19.8	0	0	0	0	109
204	A	29	Very low	31.5	Very low	68 Å²	68	118.6 Å²	118.6	56%	0.562	61%	0.611	S	S	*	*				7	142.6	124.2	0	0	0	0	0	118.3
205	D	30.3	Very low	31.5	Very low	122 Å²	122	119.5 Å²	119.5	65%	0.652	62%	0.616	S	S	*	*			cis	-163	164.7	10.4	-85.2	-38	0	0	0	111.3	S1650	D205-S1650 PolarHBondContact O-OG 3.23Å
206	N	32	Very low	31.4	Very low	118 Å²	118	121 Å²	121	63%	0.631	62%	0.623	S	S	*	*			trans	62.9	161.3	150.4	-72.5	15.4	0	0	0	119.1
207	E	31.2	Very low	31.7	Very low	143 Å²	143	117.8 Å²	117.8	67%	0.668	63%	0.626	S	S	*	*			cis	-159.5	154.4	-12.9	-115.3	168.4	144.7	0	0	110.9
208	I	34.4	Very low	31.6	Very low	125 Å²	125	118.8 Å²	118.8	64%	0.641	63%	0.627	S	S	*	*			trans	52.9	128.8	140.2	-65	164.5	0	0	0	122.2
209	N	32.2	Very low	31.3	Very low	122 Å²	122	119.7 Å²	119.7	65%	0.652	63%	0.631	S	S	*	*			trans	71.4	110.8	156.6	-70.3	-18.2	0	0	0	120.5
210	Q	30.7	Very low	31.3	Very low	154 Å²	154	114.9 Å²	114.9	72%	0.72	62%	0.623	S	S	*	*				81.1	128.3	94.2	-73.4	-179.3	63.3	0	0	114.1
211	T	30.1	Very low	31.1	Very low	47 Å²	47	116.3 Å²	116.3	29%	0.288	62%	0.623	S	S	.	*			cis	-151.1	-179.1	15.6	6	0	0	0	0	113.5	N1643 E1644 L1645	T211-N1643 CarbonylContact C-O 3.44Å; T211-N1643 WeakPolarHBondContact CA-O 3.36Å; T211-N1643 WeakPolarHBondContact CB-O 3.01Å; T211-N1643 PolarHBondContact N-O 3.19Å; T211-N1643 VanDerWaalsContact O-O 3.05Å; T211-N1643 PolarHBondContact OG1-O 3.34Å; T211-E1644 CarbonylContact O-C 3.25Å; T211-E1644 VanDerWaalsContact O-C 3.31Å; T211-E1644 WeakPolarHBondContact O-CA 3.45Å; T211-L1645 PolarHBondContact O-N 3.13Å
212	N	33.7	Very low	31.1	Very low	25 Å²	25	115.6 Å²	115.6	13%	0.134	62%	0.616	C	S	.	*			trans	53.2	137.6	158.1	-67.5	15.1	0	0	0	124.6	N1643 E1644	N212-N1643 PolarHBondContact ND2-OD1 3.42Å; N212-E1644 HydrophobicContact CB-CG 4.02Å; N212-E1644 WeakPolarHBondContact O-CA 3.24Å; N212-E1644 VanDerWaalsContact O-CG 3.27Å; N212-E1644 WeakPolarHBondContact O-CG 3.2Å
213	H	33	Very low	31.2	Very low	57 Å²	57	114.1 Å²	114.1	26%	0.264	60%	0.603	S	S	.	*			trans	50.1	96.7	135	-61.4	-42.1	0	0	0	124.5	E1644	H213-E1644 HydrophobicContact CB-CG 4.26Å
214	H	31.6	Very low	31.1	Very low	109 Å²	109	114.3 Å²	114.3	51%	0.505	60%	0.599	S	S	.	*				54	94.9	117.4	-60.4	-31.4	0	0	0	120
215	N	31.1	Very low	31.3	Very low	154 Å²	154	115 Å²	115	82%	0.824	59%	0.593	S	S	*	*	S	Bend		-142.4	146.5	105.8	-108.4	-64.9	0	0	0	110.5
216	L	27	Very low	31.3	Very low	152 Å²	152	113.6 Å²	113.6	80%	0.796	59%	0.585	S	S	*	*	S	Bend	trans	59.8	-178.3	-172.8	-75.9	136.5	0	0	0	111.8	Q218	L216-Q218 PolarHBondContact O-N 3.47Å
217	P	37.3	Very low	31.1	Very low	126 Å²	126	112.4 Å²	112.4	82%	0.818	59%	0.586	S	S	*	*	S	Bend	trans	-80.3	96.5	-145.4	31.7	-36.6	0	0	0	115.1
218	Q	27.2	Very low	31.1	Very low	143 Å²	143	111.2 Å²	111.2	67%	0.668	59%	0.588	S	S	*	*			trans	-145.2	162.8	154.1	-97.2	-173.5	19.2	0	0	111.9	L216	L216-Q218 PolarHBondContact O-N 3.47Å
219	F	27.8	Very low	30.8	Very low	201 Å²	201	115.7 Å²	115.7	88%	0.882	60%	0.597	S	S	*	*			trans	-95.8	153.7	-159.2	-82.8	-113.6	0	0	0	115.2
220	A	30.3	Very low	30.5	Very low	69 Å²	69	113.8 Å²	113.8	57%	0.57	59%	0.593	S	S	*	*			trans	47.5	116.1	143.1	0	0	0	0	0	122.7
221	N	27.7	Very low	30.5	Very low	129 Å²	129	115.8 Å²	115.8	69%	0.69	60%	0.599	S	S	*	*				81.7	118.5	126.3	-65.5	-2.4	0	0	0	123.5
222	E	31.7	Very low	30.6	Very low	114 Å²	114	118.4 Å²	118.4	53%	0.533	61%	0.612	S	S	.	*			trans	75.2	126.4	139.5	-63.4	-159.2	139.5	0	0	120.6
223	K	33.6	Very low	30.5	Very low	101 Å²	101	125.8 Å²	125.8	44%	0.439	64%	0.643	S	S	.	*			cis	-166.9	66.1	2.8	-136	168	-172.6	162	0	117.7	K1640 N1641	K223-K1640 CarbonylContact O-C 3.39Å; K223-K1640 WeakPolarHBondContact O-CA 3.32Å; K223-N1641 VanDerWaalsContact C-N 3.29Å; K223-N1641 CarbonylContact C-O 3.42Å; K223-N1641 PolarHBondContact O-N 2.73Å
224	L	32.2	Very low	30.5	Very low	121 Å²	121	129.3 Å²	129.3	63%	0.634	66%	0.664	S	S	*	*			trans	41.2	112.7	165.3	-56.6	175.5	0	0	0	121.9	K1640 N1641	L224-K1640 CarbonylContact O-C 3.09Å; L224-K1640 WeakPolarHBondContact O-CA 3.29Å; L224-K1640 WeakPolarHBondContact O-CG 3.12Å; L224-N1641 CarbonylContact C-O 3.37Å; L224-N1641 WeakPolarHBondContact CA-O 3.09Å; L224-N1641 PolarHBondContact N-O 2.95Å; L224-N1641 PolarHBondContact O-N 3.49Å
225	L	31.3	Very low	30.3	Very low	83 Å²	83	130.5 Å²	130.5	44%	0.435	67%	0.674	S	S	.	*			trans	-88.7	-154.8	-170.3	-158.3	44.9	0	0	0	117.2	K1640 N1641 N1642	L225-K1640 HydrophobicContact CD1-CB 3.78Å; L225-K1640 HydrophobicContact CD1-CD 4.12Å; L225-K1640 HydrophobicContact CD1-CG 4.33Å; L225-N1641 PolarHBondContact N-O 2.9Å; L225-N1641 VanDerWaalsContact N-O 3.13Å; L225-N1642 HydrophobicContact CB-CB 3.39Å; L225-N1642 HydrophobicContact CD2-CB 3.81Å; L225-N1642 HydrophobicContact CG-CB 4.23Å; L225-N1642 PolarHBondContact N-OD1 2.46Å
226	D	30.7	Very low	30.3	Very low	93 Å²	93	128.3 Å²	128.3	50%	0.497	67%	0.666	S	S	.	*			trans	-73.9	147.1	-179.5	-81.6	-53.3	0	0	0	112.1	K1640	D226-K1640 HydrophobicContact CB-CD 4.41Å; D226-K1640 WeakPolarHBondContact OD1-CD 3.38Å; D226-K1640 IonicContact OD1-NZ 3.87Å; D226-K1640 PolarHBondContact OD1-NZ 3.25Å; D226-K1640 IonicContact OD2-NZ 3.91Å; D226-K1640 PolarHBondContact OD2-NZ 3.47Å
227	S	28.5	Very low	30.4	Very low	93 Å²	93	127.5 Å²	127.5	65%	0.65	66%	0.662	S	S	*	*			cis	100.1	141.4	29.8	-166.4	0	0	0	0	113
228	V	30.2	Very low	30.2	Very low	117 Å²	117	127.9 Å²	127.9	71%	0.709	66%	0.656	S	S	*	*			trans	67.7	128.1	171.4	172.3	0	0	0	0	115.8
229	R	29.7	Very low	30.4	Very low	220 Å²	220	125.8 Å²	125.8	83%	0.83	66%	0.657	S	S	*	*			cis	-156.8	165.7	-7.1	-124.1	179.5	-174.3	147.3	-1	112.6
230	S	25.3	Very low	30.6	Very low	81 Å²	81	123.1 Å²	123.1	57%	0.566	65%	0.652	S	S	*	*			trans	-45.8	151.6	162.3	54	0	0	0	0	116.4
231	K	31.5	Very low	30.7	Very low	197 Å²	197	129 Å²	129	86%	0.857	67%	0.665	S	S	*	*			trans	-115.6	124	132.8	-75.5	-178.9	-179.6	174.6	0	107
232	N	30.3	Very low	30.9	Very low	102 Å²	102	126.9 Å²	126.9	55%	0.545	66%	0.656	S	S	.	*				72.1	138.4	65.6	-58.2	7.5	0	0	0	110.7
233	F	33.2	Very low	30.8	Very low	179 Å²	179	125.5 Å²	125.5	79%	0.785	65%	0.65	S	S	*	*			cis	-128.5	-167.8	-0.2	-57.4	-95.9	0	0	0	108.3
234	N	33	Very low	30.5	Very low	132 Å²	132	124.6 Å²	124.6	71%	0.706	66%	0.656	S	S	*	*			cis	-155.4	164.9	1.3	-139.4	20.6	0	0	0	106.2
235	N	27.2	Very low	30.4	Very low	133 Å²	133	123 Å²	123	71%	0.711	66%	0.655	S	S	*	*			cis	67.7	129.2	29.7	-104.1	2.1	0	0	0	114.2
236	T	30.2	Very low	30.4	Very low	109 Å²	109	123.6 Å²	123.6	67%	0.669	67%	0.666	S	S	*	*			cis	-134.9	-158.2	1	47.1	0	0	0	0	108
237	N	29.4	Very low	30.7	Very low	134 Å²	134	123.8 Å²	123.8	72%	0.717	67%	0.672	S	S	*	*			cis	-167.1	176.7	11	-145.1	-21.5	0	0	0	113.3
238	I	33	Very low	30.8	Very low	135 Å²	135	126.8 Å²	126.8	69%	0.692	68%	0.681	S	S	*	*			trans	75.9	106	154.4	-64	158.6	0	0	0	120.1
239	S	32.4	Very low	30.9	Very low	98 Å²	98	125.6 Å²	125.6	69%	0.685	68%	0.683	S	S	*	*			trans	77.5	147.1	145.4	73.6	0	0	0	0	121.2
240	N	30.6	Very low	31	Very low	146 Å²	146	120.4 Å²	120.4	78%	0.781	67%	0.672	S	S	*	*				176.3	112.8	-60.2	-92.3	6	0	0	0	110.3
241	K	33	Very low	31.1	Very low	192 Å²	192	120.5 Å²	120.5	84%	0.835	67%	0.665	S	S	*	*			trans	-177.3	126.7	131.4	-103.4	176.3	176	-171.9	0	110
242	V	32.2	Very low	31.1	Very low	84 Å²	84	116.4 Å²	116.4	51%	0.509	66%	0.656	S	S	.	*			cis	90.6	141.5	22.6	172.8	0	0	0	0	113.8
243	E	29.8	Very low	31.2	Very low	85 Å²	85	114.2 Å²	114.2	40%	0.397	65%	0.652	S	S	.	*			cis	-165	167.5	-30.1	-80.8	-168.5	99.5	0	0	105.9	L2501 L2502 S2503	E243-L2501 WeakPolarHBondContact CA-O 3.48Å; E243-L2501 WeakPolarHBondContact CB-O 3.23Å; E243-L2501 VanDerWaalsContact CG-O 3.24Å; E243-L2501 WeakPolarHBondContact CG-O 3.33Å; E243-L2502 HydrophobicContact CG-CB 3.99Å; E243-L2502 WeakPolarHBondContact OE1-CB 3.34Å; E243-S2503 PolarHBondContact OE1-N 3.45Å; E243-S2503 PolarHBondContact OE1-OG 2.8Å
244	C	27.8	Very low	31.1	Very low	83 Å²	83	109.9 Å²	109.9	56%	0.561	65%	0.649	S	S	*	*			cis	-139.1	145.2	11.9	-51.7	0	0	0	0	110.7	L2500 L2501 L2502	C244-L2500 CarbonylContact C-O 3.6Å; C244-L2501 WeakPolarHBondContact CA-O 3.34Å; C244-L2502 VanDerWaalsContact CA-O 3.25Å; C244-L2502 WeakPolarHBondContact CA-O 3.45Å; C244-L2502 WeakPolarHBondContact CB-O 3.41Å
245	S	29.1	Very low	31	Very low	87 Å²	87	110.5 Å²	110.5	61%	0.608	66%	0.657	S	S	*	*				166.2	171.2	93.2	-86.3	0	0	0	0	110.1	L2502	S245-L2502 PolarHBondContact N-O 3.08Å
246	S	30.7	Very low	31.1	Very low	96 Å²	96	108.1 Å²	108.1	67%	0.671	66%	0.656	S	S	*	*			cis	101	136.1	9.7	-151.9	0	0	0	0	116.2
247	P	38.6	Very low	31	Very low	97 Å²	97	111.9 Å²	111.9	63%	0.63	66%	0.663	S	S	*	*			cis	-142.3	-168.7	-35.1	41	-22.1	0	0	0	116.2
248	D	30.2	Very low	30.8	Very low	156 Å²	156	112 Å²	112	83%	0.834	66%	0.664	S	S	*	*			trans	69.1	151.4	160	-55.9	-25	0	0	0	120.4
249	A	32.8	Very low	30.5	Very low	92 Å²	92	109.7 Å²	109.7	76%	0.76	67%	0.665	S	S	*	*			cis	177.2	169	-23.9	0	0	0	0	0	107.5
250	N	29.9	Very low	30.2	Very low	110 Å²	110	111 Å²	111	59%	0.588	67%	0.669	S	S	*	*			cis	-163.8	179.2	-41.2	-155.4	4.6	0	0	0	105.4	S652 T653 L654	N250-S652 CarbonylContact C-O 3.51Å; N250-S652 VanDerWaalsContact O-O 3.08Å; N250-T653 CarbonylContact C-O 3.35Å; N250-T653 CarbonylContact O-C 3.47Å; N250-L654 PolarHBondContact O-N 3.24Å
251	M	28.9	Very low	30	Very low	84 Å²	84	114.6 Å²	114.6	41%	0.414	67%	0.671	S	S	.	*			cis	-173.1	156.7	7.8	-157.5	-174.7	73.9	0	0	111.2	S652 T653 L654	M251-S652 CarbonylContact C-O 3.58Å; M251-S652 PolarHBondContact N-O 3.07Å; M251-S652 CarbonylContact O-C 3.45Å; M251-S652 VanDerWaalsContact O-CB 3.25Å; M251-S652 WeakPolarHBondContact O-CB 3.16Å; M251-S652 PolarHBondContact O-OG 3.09Å; M251-T653 CarbonylContact C-O 2.95Å; M251-T653 VanDerWaalsContact CA-O 3.28Å; M251-T653 WeakPolarHBondContact CA-O 3.43Å; M251-T653 WeakPolarHBondContact CB-O 3.24Å; M251-T653 VanDerWaalsContact N-C 3.28Å; M251-T653 PolarHBondContact N-O 3.04Å; M251-T653 CarbonylContact O-C 3.53Å; M251-T653 PolarHBondContact O-OG1 2.94Å; M251-L654 HydrophobicContact CB-CD1 4.21Å; M251-L654 HydrophobicContact CE-CD1 3.8Å; M251-L654 HydrophobicContact SD-CD1 4.07Å
252	V	30.6	Very low	29.6	Very low	110 Å²	110	116.5 Å²	116.5	67%	0.667	67%	0.673	S	S	*	*			trans	-39.1	146.8	166.7	171	0	0	0	0	115	S652	V252-S652 WeakPolarHBondContact CA-OG 3.2Å; V252-S652 PolarHBondContact N-OG 3.2Å
253	A	32.4	Very low	29.2	Very low	57 Å²	57	123.1 Å²	123.1	47%	0.471	69%	0.689	S	S	.	*			cis	-170.6	-153.6	-16.1	0	0	0	0	0	107.9	S652	A253-S652 WeakPolarHBondContact CA-OG 3.35Å
254	A	31.8	Very low	29	Very low	88 Å²	88	129.1 Å²	129.1	73%	0.727	72%	0.715	S	S	*	*			cis	-164.9	165.5	2.9	0	0	0	0	0	112.8
255	V	30.6	Very low	28.9	Very low	145 Å²	145	130.7 Å²	130.7	88%	0.879	72%	0.721	S	S	*	*			trans	33.8	130.2	138.2	176.8	0	0	0	0	120.3
256	A	29.7	Very low	28.9	Very low	82 Å²	82	133.3 Å²	133.3	68%	0.678	73%	0.729	S	S	*	*			cis	-144.8	-156.7	32	0	0	0	0	0	112.3
257	F	27.4	Very low	28.9	Very low	188 Å²	188	133 Å²	133	83%	0.825	73%	0.726	S	S	*	*			cis	-158.7	-151.5	6.2	-146.3	-14.1	0	0	0	114
258	N	25.3	Very low	28.5	Very low	137 Å²	137	134.3 Å²	134.3	73%	0.733	74%	0.738	S	S	*	*			trans	-67.5	129.9	-174.2	-73.7	-43.9	0	0	0	115.8
259	A	27.4	Very low	28.5	Very low	86 Å²	86	131.5 Å²	131.5	71%	0.711	73%	0.727	S	S	*	*				163.3	120.9	100.1	0	0	0	0	0	115.7
260	V	25.2	Very low	28.3	Very low	127 Å²	127	134.9 Å²	134.9	77%	0.77	73%	0.731	S	S	*	*			trans	60.9	114.2	139.5	-174.6	0	0	0	0	120.7
261	R	26.9	Very low	28.3	Very low	220 Å²	220	135.6 Å²	135.6	83%	0.83	74%	0.74	S	S	*	*			trans	77.7	123.9	151.8	-77.7	173.3	177.4	-179.6	-0.4	121.2
262	R	24.5	Very low	28.3	Very low	232 Å²	232	138.7 Å²	138.7	88%	0.875	76%	0.758	S	S	*	*			trans	61.2	101.8	141.8	-69.8	-175.9	171.2	-179.3	-4.7	118
263	W	23.7	Very low	28.4	Very low	223 Å²	223	138.1 Å²	138.1	85%	0.845	76%	0.759	S	S	*	*			trans	-121.4	139.3	145.5	-90.1	59.9	0	0	0	109
264	F	25.9	Very low	28.3	Very low	212 Å²	212	142.1 Å²	142.1	93%	0.93	77%	0.772	S	S	*	*			trans	-165.1	74.4	163.5	-123.7	-62.2	0	0	0	110.1
265	T	25.2	Very low	28.3	Very low	115 Å²	115	143.8 Å²	143.8	71%	0.706	77%	0.769	S	S	*	*			trans	-154.3	95.9	166.4	45.6	0	0	0	0	109.9
266	N	29.5	Very low	28.2	Very low	142 Å²	142	142.1 Å²	142.1	76%	0.759	76%	0.759	S	S	*	*			trans	-116.8	159.7	150.6	-65.5	-20.3	0	0	0	105.6
267	S	30.3	Very low	28	Very low	89 Å²	89	146.2 Å²	146.2	62%	0.622	77%	0.766	S	S	*	*			cis	-149	153.2	15.6	-47.9	0	0	0	0	111.4
268	S	30.4	Very low	28.1	Very low	125 Å²	125	145.9 Å²	145.9	87%	0.874	77%	0.765	S	S	*	*			trans	-166.1	146.5	133	49.5	0	0	0	0	109.1
269	T	30	Very low	28.2	Very low	97 Å²	97	144 Å²	144	60%	0.595	76%	0.762	S	S	*	*			trans	-101.3	163.6	-153.6	40.1	0	0	0	0	116.2	S644	T269-S644 WeakPolarHBondContact CG2-O 3.32Å
270	L	29.1	Very low	28.1	Very low	164 Å²	164	146.5 Å²	146.5	86%	0.859	77%	0.768	S	S	*	*			trans	-80.9	165.6	-178.8	-71.7	140.5	0	0	0	113.6
271	T	29.7	Very low	28.2	Very low	125 Å²	125	150.7 Å²	150.7	77%	0.767	77%	0.77	S	S	*	*			trans	169.6	136.5	130.8	31.3	0	0	0	0	106.7
272	N	29.2	Very low	28	Very low	149 Å²	149	146.3 Å²	146.3	80%	0.797	76%	0.763	S	S	*	*	S	Bend	cis	-144.2	164.5	4.2	-80.7	-38.6	0	0	0	107.1
273	S	31.3	Very low	28.2	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	74%	0.742	S	S	*	*			cis	-158.7	148	0.2	46.5	0	0	0	0	109.6
274	D	31.9	Very low	28.3	Very low	141 Å²	141	133.9 Å²	133.9	75%	0.754	73%	0.728	S	S	*	*				34.5	142.2	128.8	-56	-2.8	0	0	0	121
275	N	30.5	Very low	28.2	Very low	123 Å²	123	130.5 Å²	130.5	66%	0.658	72%	0.716	S	S	*	*			cis	-159.5	148	18	-132.6	-19.8	0	0	0	114.8
276	T	29.1	Very low	28.4	Very low	111 Å²	111	132 Å²	132	68%	0.681	71%	0.709	S	S	*	*			trans	33.4	150.2	142	52.8	0	0	0	0	123.4
277	M	25.5	Very low	28.3	Very low	167 Å²	167	130.4 Å²	130.4	82%	0.823	71%	0.705	S	S	*	*			cis	179.2	174.8	-21.8	-135.5	-169.7	-162.5	0	0	108.3
278	K	29.7	Very low	28.4	Very low	182 Å²	182	128.2 Å²	128.2	79%	0.791	70%	0.696	S	S	*	*			trans	67.7	152.7	167	-69.6	-178.8	-179.5	179.9	0	116.5
279	S	28	Very low	28.4	Very low	96 Å²	96	127 Å²	127	67%	0.671	68%	0.68	S	S	*	*			cis	-170	147.2	-20.9	51.4	0	0	0	0	112.4
280	V	25.3	Very low	28.6	Very low	139 Å²	139	125.9 Å²	125.9	84%	0.842	68%	0.676	S	S	*	*			trans	73.3	143.8	152.4	169.7	0	0	0	0	118.2
281	W	25.4	Very low	29	Very low	215 Å²	215	118.5 Å²	118.5	81%	0.814	64%	0.639	S	S	*	*			trans	-64.2	155.4	175.3	-63.5	-3.2	0	0	0	112.1
282	N	24.7	Very low	29.1	Very low	129 Å²	129	116 Å²	116	69%	0.69	62%	0.624	S	S	*	*				-156.4	146.7	68.7	-90	-25	0	0	0	114
283	E	27.2	Very low	29.3	Very low	93 Å²	93	112.7 Å²	112.7	44%	0.435	61%	0.607	S	S	.	*				6.7	145.4	118.6	-62.7	-169.2	138.7	0	0	118.4	R714	E283-R714 VanDerWaalsContact CD-NH2 3.29Å; E283-R714 IonicContact OE1-CZ 2.73Å; E283-R714 IonicContact OE1-NH1 2.96Å; E283-R714 PolarHBondContact OE1-NH1 3.35Å; E283-R714 IonicContact OE1-NH2 3.01Å; E283-R714 PolarHBondContact OE1-NH2 2.98Å; E283-R714 IonicContact OE2-CZ 2.66Å; E283-R714 IonicContact OE2-NE 3.77Å; E283-R714 PolarHBondContact OE2-NE 3.29Å; E283-R714 IonicContact OE2-NH1 2.74Å; E283-R714 PolarHBondContact OE2-NH1 3.2Å; E283-R714 IonicContact OE2-NH2 3.32Å; E283-R714 PolarHBondContact OE2-NH2 2.77Å
284	N	25.5	Very low	29.4	Very low	101 Å²	101	110.8 Å²	110.8	54%	0.54	59%	0.593	S	S	.	*			cis	-163.2	149.2	-1.3	-112.4	-36.9	0	0	0	109.6	R714	N284-R714 PolarHBondContact ND2-NH2 2.77Å
285	M	23.7	Very low	29.5	Very low	140 Å²	140	110.7 Å²	110.7	69%	0.69	59%	0.591	S	S	*	*			trans	149.3	156	135.2	-83.6	-63.8	174	0	0	113	Y1559	M285-Y1559 PolarHBondContact O-OH 3.38Å
286	R	29.3	Very low	29.5	Very low	146 Å²	146	107.6 Å²	107.6	55%	0.551	59%	0.588	S	S	*	*			trans	45.2	119	147.8	-72.1	-179.5	164.1	152.9	-3.7	117.9	Y1559	R286-Y1559 HydrophobicContact CB-CD1 4.09Å; R286-Y1559 HydrophobicContact CB-CE1 3.52Å; R286-Y1559 HydrophobicContact CB-CE2 4.18Å; R286-Y1559 WeakPolarHBondContact O-CE2 3.44Å; R286-Y1559 PolarHBondContact O-OH 3.45Å; R286-Y1559 VanDerWaalsContact O-OH 3.05Å
287	T	29	Very low	29.6	Very low	109 Å²	109	110.4 Å²	110.4	67%	0.669	59%	0.591	S	S	*	*				43.8	99.7	76.5	71.7	0	0	0	0	112.1	Y1559	T287-Y1559 WeakPolarHBondContact O-CA 3.25Å; T287-Y1559 VanDerWaalsContact O-CD2 3.3Å; T287-Y1559 WeakPolarHBondContact O-CD2 3.09Å
288	G	31.5	Very low	29.6	Very low	43 Å²	43	107.8 Å²	107.8	44%	0.443	58%	0.578	S	S	.	*			cis	92.8	160	29.7	0	0	0	0	0	112.3	Y1559	G288-Y1559 PolarHBondContact O-N 3.19Å
289	N	31.2	Very low	29.5	Very low	101 Å²	101	103.7 Å²	103.7	54%	0.54	57%	0.565	S	S	.	*			trans	-162.8	153.6	162.1	-121.8	-21.4	0	0	0	107.6	L1556 P1557 G1558	N289-L1556 HydrophobicContact CB-CB 4.08Å; N289-L1556 HydrophobicContact CB-CD2 3.56Å; N289-L1556 HydrophobicContact CB-CG 4.42Å; N289-L1556 WeakPolarHBondContact OD1-CD2 3.48Å; N289-P1557 WeakPolarHBondContact O-CB 3.12Å; N289-G1558 VanDerWaalsContact CB-N 3.34Å
290	S	34.2	Very low	29.4	Very low	73 Å²	73	104.1 Å²	104.1	51%	0.51	56%	0.557	S	S	.	*			trans	-98.5	-128	-152.8	52.5	0	0	0	0	116.9	L1556	S290-L1556 VanDerWaalsContact O-CB 3.24Å; S290-L1556 WeakPolarHBondContact O-CB 3.49Å
291	G	37	Very low	29.4	Very low	8 Å²	8	101.8 Å²	101.8	8%	0.082	55%	0.546	C	S	.	.			cis	166.8	56.1	11.1	0	0	0	0	0	117.4	K1554 L1556	G291-K1554 WeakPolarHBondContact O-CD 3.44Å; G291-K1554 PolarHBondContact O-NZ 2.68Å; G291-L1556 VanDerWaalsContact N-CD1 3.3Å
292	T	32.7	Very low	29.3	Very low	72 Å²	72	98.5 Å²	98.5	44%	0.442	55%	0.545	S	S	.	.	S	Bend	trans	-120	132.2	166.7	46.8	0	0	0	0	111.8	K1554 F2542	T292-K1554 HydrophobicContact CG2-CB 4.35Å; T292-K1554 HydrophobicContact CG2-CD 3.78Å; T292-F2542 VanDerWaalsContact C-CD2 3.49Å; T292-F2542 WeakPolarHBondContact O-CD2 2.99Å
293	N	32.7	Very low	29.3	Very low	81 Å²	81	100.2 Å²	100.2	43%	0.433	55%	0.552	S	S	.	*	S	Bend	cis	-143.9	128.8	2.8	-123.6	1.9	0	0	0	115	K1554 A2540 P2541 F2542	N293-K1554 PolarHBondContact OD1-NZ 2.97Å; N293-A2540 PolarHBondContact N-O 2.99Å; N293-P2541 CarbonylContact O-C 3.15Å; N293-P2541 WeakPolarHBondContact O-CA 3.46Å; N293-F2542 PolarHBondContact O-N 2.71Å
294	S	33	Very low	29.2	Very low	56 Å²	56	103.3 Å²	103.3	39%	0.392	57%	0.571	S	S	.	*			trans	-70.2	-174	-176.8	-45.6	0	0	0	0	112.7	F2542	S294-F2542 WeakPolarHBondContact CA-O 3.01Å; S294-F2542 WeakPolarHBondContact CB-O 3.4Å; S294-F2542 WeakPolarHBondContact OG-CB 3.5Å; S294-F2542 PolarHBondContact OG-O 2.73Å
295	I	34.5	Very low	29.5	Very low	140 Å²	140	102.9 Å²	102.9	72%	0.718	57%	0.574	S	S	*	*			cis	-165.4	166.3	21.9	-150.3	151.5	0	0	0	112.5	F297	I295-F297 HydrophobicContact CG2-CD2 4.24Å; I295-F297 HydrophobicContact CG2-CE2 3.79Å
296	G	30.2	Very low	29.7	Very low	58 Å²	58	106.5 Å²	106.5	60%	0.598	58%	0.581	S	S	*	*			trans	129.6	134.2	141.2	0	0	0	0	0	117
297	F	30.2	Very low	29.7	Very low	169 Å²	169	103.5 Å²	103.5	74%	0.741	59%	0.587	S	S	*	*			cis	-155.8	121.5	-10.7	-114.9	-88.3	0	0	0	108.7	I295	I295-F297 HydrophobicContact CG2-CD2 4.24Å; I295-F297 HydrophobicContact CG2-CE2 3.79Å
298	M	27.4	Very low	29.6	Very low	112 Å²	112	103.2 Å²	103.2	55%	0.552	59%	0.59	S	S	*	*				34.3	120.2	123.6	-103.3	164.5	170.3	0	0	120	A728 D729	M298-A728 HydrophobicContact CG-CB 4.18Å; M298-D729 HydrophobicContact CE-CB 3.85Å; M298-D729 WeakPolarHBondContact CE-OD2 2.94Å; M298-D729 HydrophobicContact CG-CB 4.46Å
299	N	27.8	Very low	29.6	Very low	96 Å²	96	108.8 Å²	108.8	51%	0.513	61%	0.609	S	S	.	*				158.2	162.4	111	-87.3	15.5	0	0	0	118.4	D727 A728 D729	N299-D727 CarbonylContact C-O 3.15Å; N299-A728 VanDerWaalsContact C-N 3.27Å; N299-A728 CarbonylContact C-O 3.46Å; N299-A728 WeakPolarHBondContact CA-O 3.48Å; N299-A728 WeakPolarHBondContact CB-O 3.17Å; N299-A728 PolarHBondContact OD1-O 2.94Å; N299-D729 PolarHBondContact ND2-O 3.48Å
300	Q	25.7	Very low	29.5	Very low	106 Å²	106	111.4 Å²	111.4	50%	0.495	62%	0.623	S	S	.	*			trans	-85.8	150	-155	-126.8	152.7	54.8	0	0	117.6	D727 A728	Q300-D727 WeakPolarHBondContact CA-O 3.14Å; Q300-D727 VanDerWaalsContact CG-C 3.47Å; Q300-D727 PolarHBondContact NE2-OD1 3.48Å; Q300-A728 VanDerWaalsContact CB-N 3.35Å; Q300-A728 VanDerWaalsContact CB-O 3.27Å; Q300-A728 WeakPolarHBondContact CB-O 3.46Å; Q300-A728 VanDerWaalsContact CG-N 3.31Å; Q300-A728 PolarHBondContact N-O 2.91Å
301	S	23.8	Very low	29.3	Very low	89 Å²	89	112.5 Å²	112.5	62%	0.622	63%	0.63	S	S	*	*			trans	78.9	137.9	143.1	86.8	0	0	0	0	119.6
302	N	23.1	Very low	29	Very low	147 Å²	147	123 Å²	123	79%	0.786	67%	0.668	S	S	*	*			trans	67.3	172.1	158.4	-60.9	-56.4	0	0	0	118.3
303	I	26.6	Very low	29	Very low	165 Å²	165	126.2 Å²	126.2	85%	0.846	68%	0.681	S	S	*	*			trans	66.1	73.7	171	-43.8	-172.2	0	0	0	116
304	L	24.1	Very low	28.9	Very low	157 Å²	157	129.6 Å²	129.6	82%	0.822	69%	0.694	S	S	*	*				-51.9	158.1	129.7	-78.8	167.9	0	0	0	110.6
305	P	31.6	Very low	28.9	Very low	92 Å²	92	135 Å²	135	60%	0.597	71%	0.713	S	S	*	*			cis	-142.7	-177	-2.1	22.9	4.2	0	0	0	116.3
306	Y	27.8	Very low	28.9	Very low	217 Å²	217	132.8 Å²	132.8	85%	0.851	71%	0.708	S	S	*	*			trans	78	143.7	163.8	-58	-83.6	0	0	0	118.7
307	A	28.8	Very low	28.8	Very low	82 Å²	82	136.1 Å²	136.1	68%	0.678	71%	0.711	S	S	*	*			cis	-166.6	156.3	-23.2	0	0	0	0	0	113.2
308	S	28.3	Very low	28.7	Very low	103 Å²	103	132.5 Å²	132.5	72%	0.72	70%	0.699	S	S	*	*			trans	-22.6	133.4	164.8	51.3	0	0	0	0	118
309	L	31.1	Very low	29.1	Very low	161 Å²	161	131 Å²	131	84%	0.843	70%	0.698	S	S	*	*				74.8	133.7	59.6	-81.4	168.5	0	0	0	116.3
310	N	28.2	Very low	29.4	Very low	156 Å²	156	130.3 Å²	130.3	83%	0.834	70%	0.699	S	S	*	*			trans	-178.6	148.1	140.3	-96.5	-19.4	0	0	0	109.4
311	S	30.8	Very low	30.2	Very low	96 Å²	96	130.7 Å²	130.7	67%	0.671	71%	0.71	S	S	*	*			cis	-168.6	-178.2	-8.8	55.6	0	0	0	0	110.5
312	R	31.5	Very low	30.3	Very low	229 Å²	229	134.7 Å²	134.7	86%	0.864	72%	0.724	S	S	*	*			trans	91.6	155.5	-164.4	-61.6	176.3	175.2	-171.6	-0.9	112.4
313	L	31	Very low	30.6	Very low	139 Å²	139	134 Å²	134	73%	0.728	72%	0.724	S	S	*	*			cis	-167.7	166	-19.4	-103.4	176.9	0	0	0	106.2
314	Q	31.5	Very low	30.6	Very low	152 Å²	152	133.3 Å²	133.3	71%	0.71	72%	0.722	S	S	*	*			cis	-149.1	167.9	-2.5	-171.1	160.8	-80.4	0	0	108.7
315	H	32.3	Very low	30.7	Very low	168 Å²	168	132.5 Å²	132.5	78%	0.778	72%	0.718	S	S	*	*			trans	-146.1	170.6	173.7	-93.4	-72.8	0	0	0	110.6
316	P	34.7	Very low	30.4	Very low	94 Å²	94	132.8 Å²	132.8	61%	0.61	72%	0.723	S	S	*	*				-113.9	-166.2	77.5	40.9	-39	0	0	0	112.2
317	L	28.6	Very low	30.5	Very low	128 Å²	128	128.7 Å²	128.7	67%	0.67	72%	0.72	S	S	*	*			cis	-118.5	162.6	-8.9	-74	164	0	0	0	108.2
318	L	28.9	Very low	30.5	Very low	93 Å²	93	131.1 Å²	131.1	49%	0.487	73%	0.726	S	S	.	*			cis	84.6	163.2	14.9	-45.6	-179.5	0	0	0	115.4
319	P	34.4	Very low	30.6	Very low	82 Å²	82	129.6 Å²	129.6	53%	0.532	73%	0.727	S	S	.	*				-139.7	178.5	-79.6	41.1	-23.8	0	0	0	116.6	Y1525	P319-Y1525 HydrophobicContact CB-CD1 4.26Å; P319-Y1525 HydrophobicContact CB-CD2 4.25Å; P319-Y1525 HydrophobicContact CB-CG 4.02Å
320	P	34.9	Very low	30.3	Very low	81 Å²	81	128.3 Å²	128.3	53%	0.526	72%	0.721	S	S	.	*			trans	-109.1	-158	174	46.6	-36	0	0	0	112.3	Y1525	P320-Y1525 HydrophobicContact CG-CD1 4.48Å; P320-Y1525 HydrophobicContact CG-CE1 3.74Å
321	P	42.2	Very low	30.5	Very low	113 Å²	113	125.1 Å²	125.1	73%	0.734	72%	0.716	S	S	*	*				-100.7	163.9	-120.5	39.9	-25.2	0	0	0	116.5
322	L	26	Very low	30.5	Very low	174 Å²	174	126.4 Å²	126.4	91%	0.911	72%	0.72	S	S	*	*			trans	-152.2	176.5	161.7	-110.2	-176.9	0	0	0	114.1
323	V	28.7	Very low	30.2	Very low	132 Å²	132	120.3 Å²	120.3	80%	0.8	71%	0.708	S	S	*	*			trans	-72.9	158.9	-170.7	175.3	0	0	0	0	113.8
324	L	26.7	Very low	29.9	Very low	151 Å²	151	119.3 Å²	119.3	79%	0.791	70%	0.7	S	S	*	*	S	Bend	trans	-51	141.9	-178.3	-71.2	162.7	0	0	0	116.3
325	N	27.8	Very low	29.5	Very low	139 Å²	139	114.5 Å²	114.5	74%	0.743	68%	0.679	S	S	*	*			trans	66.2	82.9	147.6	-61	1.1	0	0	0	120.1
326	S	25.3	Very low	29.2	Very low	99 Å²	99	108.7 Å²	108.7	69%	0.692	66%	0.657	S	S	*	*				-31.1	155	120.7	48.2	0	0	0	0	114.5
327	T	29.4	Very low	28.7	Very low	130 Å²	130	108.2 Å²	108.2	80%	0.798	65%	0.653	S	S	*	*			cis	-165.2	-178.2	4.9	19	0	0	0	0	107.1
328	V	27.3	Very low	28.5	Very low	134 Å²	134	109.6 Å²	109.6	81%	0.812	66%	0.656	S	S	*	*			cis	-145.6	143.9	22.3	-178.8	0	0	0	0	109.1
329	G	30.5	Very low	28.4	Very low	71 Å²	71	110.7 Å²	110.7	73%	0.732	66%	0.662	S	S	*	*			trans	-179.5	108.9	169.3	0	0	0	0	0	113.7	A331	G329-A331 PolarHBondContact O-N 2.94Å
330	N	26	Very low	27.9	Very low	134 Å²	134	112.6 Å²	112.6	72%	0.717	67%	0.668	S	S	*	*			trans	-60.8	129.2	-173.8	-60.9	-39.9	0	0	0	114.1
331	A	31.1	Very low	27.4	Very low	88 Å²	88	119.1 Å²	119.1	73%	0.727	68%	0.683	S	S	*	*				-175.4	128.5	116.4	0	0	0	0	0	113.5	G329	G329-A331 PolarHBondContact O-N 2.94Å
332	T	30.8	Very low	26.6	Very low	124 Å²	124	117.1 Å²	117.1	76%	0.761	68%	0.683	S	S	*	*			trans	7.9	106.8	153	52	0	0	0	0	120.3
333	T	25.9	Very low	26.5	Very low	100 Å²	100	117 Å²	117	61%	0.613	68%	0.68	S	S	*	*				35.4	96.6	116.9	57.7	0	0	0	0	117.1
334	Q	24.3	Very low	26.3	Very low	118 Å²	118	118.8 Å²	118.8	55%	0.551	68%	0.677	S	S	*	*				78	133.2	57.5	-61.8	179.7	-11.4	0	0	115.8	I1520	Q334-I1520 WeakPolarHBondContact O-CD1 3.31Å; Q334-I1520 WeakPolarHBondContact O-CG1 3.24Å
335	N	24.9	Very low	26.1	Very low	52 Å²	52	118.5 Å²	118.5	28%	0.278	67%	0.674	S	S	.	*			trans	97.6	170.5	141	-51.8	-36.9	0	0	0	125.3	I1520 W1521	N335-I1520 HydrophobicContact CB-CB 4.07Å; N335-I1520 HydrophobicContact CB-CG1 4.1Å; N335-I1520 HydrophobicContact CB-CG2 3.95Å; N335-I1520 PolarHBondContact O-N 3.4Å; N335-W1521 HydrophobicContact CB-CB 3.58Å; N335-W1521 HydrophobicContact CB-CD2 4.27Å; N335-W1521 HydrophobicContact CB-CG 3.62Å; N335-W1521 VanDerWaalsContact CG-CE2 3.45Å; N335-W1521 VanDerWaalsContact OD1-CD1 3.24Å; N335-W1521 PolarHBondContact OD1-NE1 2.81Å
336	S	24.6	Very low	26	Very low	45 Å²	45	118.8 Å²	118.8	32%	0.315	67%	0.67	S	S	.	*			trans	83.2	129.9	-165	56.6	0	0	0	0	115.1	L1519 I1520	S336-L1519 VanDerWaalsContact OG-C 3.25Å; S336-L1519 VanDerWaalsContact OG-CA 3.27Å; S336-L1519 WeakPolarHBondContact OG-CA 3.28Å; S336-L1519 PolarHBondContact OG-N 3.03Å; S336-I1520 PolarHBondContact OG-N 3.14Å
337	T	25.2	Very low	25.9	Very low	85 Å²	85	123.9 Å²	123.9	52%	0.521	67%	0.674	S	S	.	*			cis	71.2	134.5	38.3	73.7	0	0	0	0	113.4	N1522	T337-N1522 HydrophobicContact CG2-CB 4.5Å
338	H	24.6	Very low	25.9	Very low	157 Å²	157	121 Å²	121	73%	0.727	67%	0.671	S	S	*	*			cis	-141.3	-174.1	7.5	-125.1	-54.4	0	0	0	111.3
339	N	26.4	Very low	26	Very low	116 Å²	116	121.7 Å²	121.7	62%	0.62	67%	0.665	S	S	*	*			trans	-39.5	160.7	171.4	-39.9	-4.2	0	0	0	113.6
340	N	24.3	Very low	25.9	Very low	122 Å²	122	126.8 Å²	126.8	65%	0.652	67%	0.669	S	S	*	*				-177.9	157.2	51.9	-141.9	4.7	0	0	0	113.2
341	Y	23.1	Very low	26.2	Very low	217 Å²	217	125.6 Å²	125.6	85%	0.851	67%	0.671	S	S	*	*			trans	54.4	158.1	164.3	-72.1	-74.8	0	0	0	120.1
342	G	26.2	Very low	26	Very low	71 Å²	71	127.1 Å²	127.1	73%	0.732	68%	0.676	S	S	*	*			trans	165.9	-7.6	154.3	0	0	0	0	0	124.8
343	M	24.1	Very low	26.1	Very low	171 Å²	171	123.9 Å²	123.9	84%	0.842	67%	0.668	S	S	*	*			trans	52.7	125.8	166.7	-74.6	-148.3	167.5	0	0	122.8
344	F	24	Very low	26.2	Very low	170 Å²	170	128.6 Å²	128.6	75%	0.746	68%	0.676	S	S	*	*			trans	62.3	125.5	133.7	-76.4	-107.6	0	0	0	123.4
345	M	23.1	Very low	26.4	Very low	145 Å²	145	127.7 Å²	127.7	71%	0.714	68%	0.678	S	S	*	*			trans	77.4	106.9	133.2	-69.1	-68.8	-174.7	0	0	122.9
346	H	24.2	Very low	27.2	Very low	146 Å²	146	127.8 Å²	127.8	68%	0.676	68%	0.682	S	S	*	*				66	101.9	120.7	-93.6	-119	0	0	0	122.5
347	R	24.2	Very low	27.5	Very low	206 Å²	206	130 Å²	130	78%	0.777	69%	0.69	S	S	*	*				55.3	121.6	123.1	-65.5	-170.2	-178.6	-170.4	0.5	121.1
348	G	29	Very low	27.7	Very low	70 Å²	70	131.2 Å²	131.2	72%	0.722	69%	0.69	S	S	*	*				136.6	155.2	122.4	0	0	0	0	0	116
349	H	28.8	Very low	27.9	Very low	147 Å²	147	129.2 Å²	129.2	68%	0.681	69%	0.689	S	S	*	*			cis	-165.5	-176.7	-14.9	-127.3	-80.5	0	0	0	109.7
350	H	29.5	Very low	27.9	Very low	178 Å²	178	127.7 Å²	127.7	82%	0.824	69%	0.692	S	S	*	*			trans	79.3	142.6	173.7	-51.5	-81.4	0	0	0	115.8
351	S	31.1	Very low	28.5	Very low	110 Å²	110	127.3 Å²	127.3	77%	0.769	70%	0.697	S	S	*	*			cis	-143.7	135.1	1.6	48.8	0	0	0	0	109.6
352	S	28.4	Very low	28.7	Very low	119 Å²	119	124.7 Å²	124.7	83%	0.832	69%	0.694	S	S	*	*				93.6	131.9	83.1	-168.8	0	0	0	0	113.5
353	G	31.4	Very low	28.8	Very low	57 Å²	57	126 Å²	126	59%	0.588	68%	0.683	S	S	*	*			cis	-105.4	-129.5	-8.1	0	0	0	0	0	112.6
354	Y	28.5	Very low	28.9	Very low	199 Å²	199	127.9 Å²	127.9	78%	0.78	68%	0.681	S	S	*	*			cis	-155.2	155.6	-9.5	-89.8	-86.3	0	0	0	108.2
355	V	29.6	Very low	29	Very low	98 Å²	98	123.4 Å²	123.4	59%	0.594	68%	0.683	S	S	*	*			cis	90.9	131.6	14.8	173.1	0	0	0	0	114.6
356	P	40.2	Very low	29.2	Very low	55 Å²	55	120.5 Å²	120.5	36%	0.357	69%	0.69	S	S	.	*			cis	-152.6	-171.3	-26.5	45.7	-26	0	0	0	118	N1011	P356-N1011 CarbonylContact C-O 3.47Å
357	N	32.3	Very low	29.5	Very low	90 Å²	90	123 Å²	123	48%	0.481	70%	0.699	S	S	.	*			trans	92.1	78.2	154.3	-66	-2.9	0	0	0	123.9	N1011 N1012	N357-N1011 CarbonylContact C-O 2.81Å; N357-N1011 WeakPolarHBondContact CA-O 3.46Å; N357-N1011 PolarHBondContact N-O 3.25Å; N357-N1012 VanDerWaalsContact CA-O 3.32Å; N357-N1012 WeakPolarHBondContact CA-O 3.46Å; N357-N1012 PolarHBondContact N-O 3Å
358	H	29.3	Very low	29.7	Very low	111 Å²	111	122.3 Å²	122.3	51%	0.514	70%	0.701	S	S	.	*				111.9	166.2	98.7	-79.5	-3.7	0	0	0	111.3	N1011 N1012 N1013	H358-N1011 PolarHBondContact N-O 2.93Å; H358-N1012 PolarHBondContact N-O 3.39Å; H358-N1013 PolarHBondContact CE1-O 2.87Å; H358-N1013 PolarHBondContact ND1-O 3.24Å
359	T	28.2	Very low	29.6	Very low	115 Å²	115	130 Å²	130	71%	0.706	71%	0.709	S	S	*	*			cis	-156.1	178.8	-10.8	13.1	0	0	0	0	110.9
360	A	26.4	Very low	29.5	Very low	85 Å²	85	128.4 Å²	128.4	70%	0.702	71%	0.714	S	S	*	*			trans	-119.2	-161.8	163.4	0	0	0	0	0	109.1
361	P	37.7	Very low	29.3	Very low	114 Å²	114	128.4 Å²	128.4	74%	0.74	71%	0.714	S	S	*	*			cis	-145	-172.7	-6.2	45.3	-25.7	0	0	0	117.1
362	M	27.2	Very low	29.1	Very low	161 Å²	161	127.7 Å²	127.7	79%	0.793	71%	0.709	S	S	*	*			trans	67.7	122	146	-72.6	-79.5	174.4	0	0	125.4
363	L	27.3	Very low	29.2	Very low	98 Å²	98	131 Å²	131	51%	0.513	71%	0.711	S	S	.	*			trans	77.7	106.9	134.6	-71.4	169.1	0	0	0	125.6	N2061	L363-N2061 PolarHBondContact O-ND2 3.26Å
364	R	25.6	Very low	29.3	Very low	212 Å²	212	133 Å²	133	80%	0.8	72%	0.716	S	S	*	*			trans	69	133.9	136.5	-75.7	-176.9	-179.6	-165.9	1.6	121.2	N2061	R364-N2061 PolarHBondContact O-ND2 3.05Å
365	G	27	Very low	29.3	Very low	76 Å²	76	127.6 Å²	127.6	78%	0.784	71%	0.708	S	S	*	*			trans	166.4	139.7	157.5	0	0	0	0	0	113.9
366	G	28	Very low	29.4	Very low	83 Å²	83	128.6 Å²	128.6	86%	0.856	71%	0.714	S	S	*	*			trans	81.2	152.4	165.4	0	0	0	0	0	117.8
367	K	29.9	Very low	28.8	Very low	200 Å²	200	131.6 Å²	131.6	87%	0.87	73%	0.727	S	S	*	*			trans	-132.8	157.3	171.5	-69.1	-179.7	176	175.2	0	109.7
368	K	29	Very low	28.8	Very low	190 Å²	190	133.5 Å²	133.5	83%	0.826	73%	0.733	S	S	*	*			trans	81.6	104.1	159.7	-64.3	179.2	176.3	-179.2	0	120.3
369	R	25.6	Very low	28.7	Very low	231 Å²	231	133.3 Å²	133.3	87%	0.872	74%	0.735	S	S	*	*				53.3	111.6	117.1	-67.1	-178.7	170.9	-175.1	-4.6	121.4
370	S	28.3	Very low	28.8	Very low	114 Å²	114	136.8 Å²	136.8	80%	0.797	74%	0.741	S	S	*	*				-169.1	141.8	113.2	8.3	0	0	0	0	107.2
371	H	25.5	Very low	28.8	Very low	178 Å²	178	140.3 Å²	140.3	82%	0.824	75%	0.748	S	S	*	*				65.1	132.2	50.3	-73.3	-53.4	0	0	0	113.1
372	S	26.2	Very low	28.3	Very low	95 Å²	95	141.3 Å²	141.3	66%	0.664	75%	0.746	S	S	*	*			cis	-167.2	-168.2	8.6	50.2	0	0	0	0	112.4
373	Q	30.7	Very low	28.3	Very low	188 Å²	188	139.2 Å²	139.2	88%	0.879	75%	0.747	S	S	*	*			trans	83.5	140.9	173.2	-52.9	178.3	-0.3	0	0	115.1
374	S	32.6	Very low	28.3	Very low	99 Å²	99	139.2 Å²	139.2	69%	0.692	76%	0.755	S	S	*	*			cis	-136.5	127	1.4	50.3	0	0	0	0	109.2
375	S	29.4	Very low	28.4	Very low	87 Å²	87	136.4 Å²	136.4	61%	0.608	76%	0.755	S	S	*	*				52.7	132.7	79.1	73.5	0	0	0	0	113.2	N377	S375-N377 WeakPolarHBondContact CB-OD1 3.47Å
376	V	30.7	Very low	28.3	Very low	118 Å²	118	138.7 Å²	138.7	72%	0.715	75%	0.754	S	S	*	*			cis	-138.6	143.9	30.3	167.5	0	0	0	0	110.2	E378	V376-E378 VanDerWaalsContact CG1-OE2 3.27Å; V376-E378 WeakPolarHBondContact CG1-OE2 3.17Å
377	N	28.8	Very low	28.2	Very low	119 Å²	119	146.4 Å²	146.4	64%	0.636	76%	0.758	S	S	*	*			cis	-179.1	-53.2	-23.1	-98.8	-4.1	0	0	0	108.9	S375	S375-N377 WeakPolarHBondContact CB-OD1 3.47Å
378	E	31.3	Very low	28	Very low	130 Å²	130	141.9 Å²	141.9	61%	0.607	75%	0.751	S	S	*	*			trans	-97.2	164.5	-160.3	-73.3	90.3	-147.7	0	0	113.5	V376	V376-E378 VanDerWaalsContact CG1-OE2 3.27Å; V376-E378 WeakPolarHBondContact CG1-OE2 3.17Å
379	L	28.5	Very low	28	Very low	107 Å²	107	138.7 Å²	138.7	56%	0.56	75%	0.753	S	S	*	*			cis	-163.4	172.2	-14.9	-101.5	168.6	0	0	0	105.9	I382	L379-I382 HydrophobicContact CD2-CD1 4.32Å
380	F	29.7	Very low	28.1	Very low	187 Å²	187	137.5 Å²	137.5	82%	0.82	76%	0.757	S	S	*	*	S	Bend	cis	-122.4	125.4	3.9	-96	-88	0	0	0	110.4
381	D	25.6	Very low	28	Very low	159 Å²	159	135.9 Å²	135.9	85%	0.85	76%	0.758	S	S	*	*			trans	-160.5	122.1	144.7	-141.6	-18.9	0	0	0	111.7
382	I	26.9	Very low	28.2	Very low	135 Å²	135	133 Å²	133	69%	0.692	76%	0.758	S	S	*	*			trans	-155.2	124.6	-176.9	-61.4	-175.5	0	0	0	106.1	L379	L379-I382 HydrophobicContact CD2-CD1 4.32Å
383	S	27.8	Very low	28.3	Very low	117 Å²	117	135.9 Å²	135.9	82%	0.818	77%	0.765	S	S	*	*			cis	-154.8	168.7	5.8	47.7	0	0	0	0	112.1
384	S	28.2	Very low	28	Very low	99 Å²	99	133.3 Å²	133.3	69%	0.692	76%	0.757	S	S	*	*			trans	-116	147.8	-171.4	62.8	0	0	0	0	115.2
385	L	26.9	Very low	27.7	Very low	153 Å²	153	134.8 Å²	134.8	80%	0.801	76%	0.756	S	S	*	*			trans	53.7	104.1	142.1	-69.4	166.1	0	0	0	120.4
386	T	25.1	Very low	27.5	Very low	124 Å²	124	138 Å²	138	76%	0.761	76%	0.764	S	S	*	*			trans	16.9	107.7	130.7	55.4	0	0	0	0	119.6
387	R	25.5	Very low	27.5	Very low	245 Å²	245	140.1 Å²	140.1	93%	0.925	77%	0.766	S	S	*	*			trans	171.6	156.9	144.9	-99.5	169.9	-175.5	-162.6	2.8	109.1
388	S	25.8	Very low	27.5	Very low	104 Å²	104	138.7 Å²	138.7	73%	0.727	77%	0.765	S	S	*	*			cis	-179.8	134.4	-26.9	50.2	0	0	0	0	109.6
389	S	29	Very low	27.4	Very low	124 Å²	124	139.4 Å²	139.4	87%	0.867	77%	0.77	S	S	*	*			trans	-157.1	130.2	160.3	53.5	0	0	0	0	111.1
390	Q	27.2	Very low	27.4	Very low	206 Å²	206	145 Å²	145	96%	0.963	78%	0.784	S	S	*	*			trans	-85.9	146.7	177.1	-65.5	166.4	-57.6	0	0	110.6
391	G	26.5	Very low	27.6	Very low	79 Å²	79	140 Å²	140	81%	0.814	79%	0.785	S	S	*	*			trans	-147.2	104.3	170.5	0	0	0	0	0	109.7
392	S	29.5	Very low	27.7	Very low	118 Å²	118	137.2 Å²	137.2	83%	0.825	78%	0.778	S	S	*	*			trans	-87.2	128.3	-177.4	52.8	0	0	0	0	111.9
393	L	28.9	Very low	27.8	Very low	155 Å²	155	139.2 Å²	139.2	81%	0.812	78%	0.784	S	S	*	*	S	Bend	trans	39.6	123.8	168.3	-103.8	79.1	0	0	0	119.6
394	N	24.9	Very low	27.8	Very low	134 Å²	134	138.7 Å²	138.7	72%	0.717	78%	0.78	S	S	*	*			trans	86.2	128.8	138.5	-88.7	-3.3	0	0	0	122.1
395	I	26.1	Very low	27.9	Very low	131 Å²	131	143.1 Å²	143.1	67%	0.672	79%	0.792	S	S	*	*			trans	89.2	122.5	140.8	-67.4	164.1	0	0	0	118.3
396	M	24.3	Very low	27.9	Very low	155 Å²	155	139.3 Å²	139.3	76%	0.764	79%	0.79	S	S	*	*			trans	68.7	144.6	168.4	-75	-174.9	-72.3	0	0	116.3
397	Q	30.8	Very low	28.7	Very low	162 Å²	162	139.2 Å²	139.2	76%	0.757	79%	0.792	S	S	*	*			cis	-153.5	154.9	12	-136.2	163.5	50.5	0	0	112.5
398	S	30.4	Very low	28.8	Very low	89 Å²	89	133 Å²	133	62%	0.622	79%	0.786	S	S	*	*			trans	66.6	132.4	142.5	-151	0	0	0	0	120.5
399	M	29.2	Very low	29	Very low	145 Å²	145	132.2 Å²	132.2	71%	0.714	79%	0.786	S	S	*	*			cis	-156.2	139.4	-13.6	-116.3	-172.3	-131	0	0	111
400	R	28.5	Very low	29	Very low	225 Å²	225	135.9 Å²	135.9	85%	0.849	79%	0.789	S	S	*	*			trans	43.1	140.3	136.1	-64	173.4	-179.6	-163.9	-0.4	121.6
401	G	32.3	Very low	29.2	Very low	82 Å²	82	129.6 Å²	129.6	85%	0.845	78%	0.779	S	S	*	*			trans	-151.9	39.4	163.1	0	0	0	0	0	113.1
402	S	27.3	Very low	29.4	Very low	100 Å²	100	130.8 Å²	130.8	70%	0.699	78%	0.775	S	S	*	*			trans	-92.3	124.5	-177.5	-55.8	0	0	0	0	111.9
403	H	29.4	Very low	29.4	Very low	176 Å²	176	136.5 Å²	136.5	82%	0.815	78%	0.78	S	S	*	*	S	Bend	trans	80.3	121.2	170.6	-55.6	-78	0	0	0	119.4
404	S	27.3	Very low	29.5	Very low	107 Å²	107	132.3 Å²	132.3	75%	0.748	78%	0.775	S	S	*	*			trans	51.3	107.5	140.5	62	0	0	0	0	120.6
405	M	31	Very low	29.6	Very low	191 Å²	191	134.4 Å²	134.4	94%	0.941	78%	0.78	S	S	*	*				175.2	159.6	101	-95.5	-170.7	166.6	0	0	111.8
406	G	28.2	Very low	29.8	Very low	74 Å²	74	135.6 Å²	135.6	76%	0.763	79%	0.787	S	S	*	*			trans	84	122.8	157.8	0	0	0	0	0	117.5
407	P	39.8	Very low	29.9	Very low	121 Å²	121	133.5 Å²	133.5	79%	0.786	79%	0.787	S	S	*	*			trans	-111.1	174.6	175.1	41	-33.7	0	0	0	114.5
408	S	28	Very low	29.9	Very low	116 Å²	116	130.4 Å²	130.4	81%	0.811	79%	0.789	S	S	*	*			trans	90	150.2	148.5	-56.7	0	0	0	0	122
409	A	31.4	Very low	29.8	Very low	87 Å²	87	130.6 Å²	130.6	72%	0.719	80%	0.796	S	S	*	*			trans	83.4	97.8	149.1	0	0	0	0	0	121.6
410	E	28.1	Very low	29.8	Very low	201 Å²	201	129 Å²	129	94%	0.939	80%	0.799	S	S	*	*				54.4	130.7	115.7	-64.2	-178.9	165.9	0	0	124
411	G	31.3	Very low	29.8	Very low	73 Å²	73	126.9 Å²	126.9	75%	0.753	80%	0.804	S	S	*	*			trans	92.8	169.1	146.5	0	0	0	0	0	118
412	S	31.2	Very low	29.6	Very low	105 Å²	105	126.8 Å²	126.8	73%	0.734	80%	0.803	S	S	*	*			cis	179.8	122.2	-31.1	-112	0	0	0	0	109.9
413	Y	29.1	Very low	30	Very low	237 Å²	237	127.1 Å²	127.1	93%	0.929	81%	0.812	S	S	*	*			trans	60.1	157.2	167.8	-70.2	-95.3	0	0	0	119.3
414	G	30.1	Very low	30	Very low	67 Å²	67	124.1 Å²	124.1	69%	0.691	81%	0.811	S	S	*	*			trans	134.4	70.2	150.3	0	0	0	0	0	120.7
415	H	28.5	Very low	30.5	Very low	179 Å²	179	125.2 Å²	125.2	83%	0.829	82%	0.815	S	S	*	*			trans	43.5	140.2	132.3	-85.4	-86	0	0	0	125.1
416	L	28.6	Very low	30.6	Very low	155 Å²	155	119.5 Å²	119.5	81%	0.812	81%	0.805	S	S	*	*			trans	87.3	114.2	140.8	-70.9	164.4	0	0	0	122.8
417	S	27.9	Very low	30.8	Very low	111 Å²	111	120.9 Å²	120.9	78%	0.776	81%	0.809	S	S	*	*			trans	-31.1	151.4	150.7	-37	0	0	0	0	119.2
418	A	30.8	Very low	30.2	Very low	97 Å²	97	120.9 Å²	120.9	80%	0.802	81%	0.812	S	S	*	*				157.2	159.1	108.4	0	0	0	0	0	115.1
419	A	28.7	Very low	30.1	Very low	93 Å²	93	120.7 Å²	120.7	77%	0.769	81%	0.81	S	S	*	*			trans	62.2	136.4	168.3	0	0	0	0	0	118.3
420	S	28.1	Very low	29.9	Very low	111 Å²	111	124 Å²	124	78%	0.776	82%	0.816	S	S	*	*			cis	101.7	144.4	12.2	-55	0	0	0	0	116.5
421	L	29.3	Very low	30	Very low	182 Å²	182	121 Å²	121	95%	0.953	80%	0.804	S	S	*	*			trans	72.2	144.5	-178.6	-45.4	171.9	0	0	0	113.7
422	G	28.3	Very low	29.8	Very low	80 Å²	80	128.7 Å²	128.7	83%	0.825	81%	0.811	S	S	*	*			cis	-171.5	175.9	-7.4	0	0	0	0	0	107.8
423	A	35.1	Very low	29.7	Very low	107 Å²	107	135 Å²	135	88%	0.884	82%	0.818	S	S	*	*			cis	-158.3	175.4	1.9	0	0	0	0	0	110.5
424	S	28.4	Very low	29.7	Very low	113 Å²	113	130.8 Å²	130.8	79%	0.79	82%	0.818	S	S	*	*			trans	-88.6	168.8	171.2	-38.7	0	0	0	0	111.6
425	P	38.9	Very low	29.6	Very low	129 Å²	129	135.3 Å²	135.3	84%	0.838	83%	0.825	S	S	*	*				-156.2	-178.7	70.5	41.5	-20.1	0	0	0	118.1
426	G	32	Very low	29.6	Very low	71 Å²	71	131.2 Å²	131.2	73%	0.732	82%	0.817	S	S	*	*			trans	95.5	120.3	165.9	0	0	0	0	0	115.1
427	A	32.4	Very low	29.8	Very low	103 Å²	103	128 Å²	128	85%	0.851	81%	0.807	S	S	*	*			cis	74.8	134.1	33.6	0	0	0	0	0	114.4
428	S	28.5	Very low	29.8	Very low	121 Å²	121	130.5 Å²	130.5	85%	0.846	81%	0.812	S	S	*	*			cis	-162	-170.3	-10	49.2	0	0	0	0	110.7
429	C	26.4	Very low	29.8	Very low	113 Å²	113	129.1 Å²	129.1	76%	0.764	81%	0.807	S	S	*	*			trans	-75.1	167.6	-164	-56.7	0	0	0	0	118.7
430	D	27	Very low	29.9	Very low	157 Å²	157	132 Å²	132	84%	0.84	81%	0.81	S	S	*	*			trans	82.3	165.9	151.3	-72.8	-50.4	0	0	0	122.3
431	I	28.8	Very low	30.4	Very low	136 Å²	136	132.3 Å²	132.3	70%	0.697	81%	0.812	S	S	*	*			trans	106	103.9	156	-56.7	-173.2	0	0	0	119
432	R	28.7	Very low	30.6	Very low	236 Å²	236	127.9 Å²	127.9	89%	0.891	80%	0.796	S	S	*	*			trans	71.8	150.9	143.5	-68.9	171.8	-169.5	179.7	3.3	123
433	R	27.6	Very low	30.9	Very low	236 Å²	236	132.4 Å²	132.4	89%	0.891	80%	0.795	S	S	*	*			trans	-68.3	144.4	154.6	-45.6	164.7	179.2	163.5	-3.3	109.7
434	T	30.2	Very low	30.8	Very low	149 Å²	149	132.9 Å²	132.9	91%	0.914	79%	0.787	S	S	*	*				-173	166.8	124	22.8	0	0	0	0	112.1
435	L	27.7	Very low	30.8	Very low	163 Å²	163	131.8 Å²	131.8	85%	0.853	79%	0.785	S	S	*	*			trans	-79.9	131.1	-175.3	-76.9	159	0	0	0	114
436	S	28.5	Very low	30.9	Very low	93 Å²	93	130.8 Å²	130.8	65%	0.65	78%	0.779	S	S	*	*			trans	41.3	129.3	134.3	68.4	0	0	0	0	123.4
437	S	32	Very low	31.2	Very low	86 Å²	86	133.4 Å²	133.4	60%	0.601	78%	0.783	S	S	*	*				67	136.4	126.1	68.5	0	0	0	0	122.2
438	N	28.5	Very low	31.2	Very low	164 Å²	164	132 Å²	132	88%	0.877	77%	0.771	S	S	*	*				-177	157.7	96.6	-91.7	-51	0	0	0	112.1
439	G	30.9	Very low	31.6	Very low	69 Å²	69	131 Å²	131	71%	0.711	76%	0.762	S	S	*	*			trans	-172.1	15.2	-169.5	0	0	0	0	0	121.8
440	N	31.5	Very low	31.7	Very low	154 Å²	154	134.3 Å²	134.3	82%	0.824	76%	0.764	S	S	*	*			trans	65.4	148.1	165.3	-63.5	-15.6	0	0	0	121.8
441	S	37.2	Very low	31.7	Very low	117 Å²	117	131 Å²	131	82%	0.818	75%	0.752	S	S	*	*			trans	66.7	146.1	163.3	69.9	0	0	0	0	118.9
442	S	34.8	Very low	31.5	Very low	88 Å²	88	131.5 Å²	131.5	62%	0.615	75%	0.752	S	S	*	*			cis	-172.8	144.2	-22.2	51.4	0	0	0	0	110.1
443	H	34.6	Very low	31.4	Very low	176 Å²	176	129.9 Å²	129.9	82%	0.815	75%	0.746	S	S	*	*			trans	62.7	155.7	175.1	-55.6	-78.6	0	0	0	115.1
444	T	32.4	Very low	31.8	Very low	117 Å²	117	124.5 Å²	124.5	72%	0.718	74%	0.744	S	S	*	*			cis	-151.8	122	-20.3	14	0	0	0	0	105
445	A	28.2	Very low	31.7	Very low	90 Å²	90	121.7 Å²	121.7	74%	0.744	73%	0.729	S	S	*	*				84.5	143.8	86.6	0	0	0	0	0	114.1
446	P	41.8	Very low	31.5	Very low	108 Å²	108	122.9 Å²	122.9	70%	0.701	73%	0.727	S	S	*	*			trans	-111	-170	-162.5	41.8	-29.1	0	0	0	113.3	A448	P446-A448 HydrophobicContact CB-CB 4.22Å; P446-A448 HydrophobicContact CG-CB 4.22Å
447	P	38.4	Very low	31.3	Very low	125 Å²	125	129 Å²	129	81%	0.812	74%	0.736	S	S	*	*				-139.5	157	92.8	30.6	-13.7	0	0	0	114.5
448	A	31.9	Very low	31.2	Very low	73 Å²	73	130.5 Å²	130.5	60%	0.603	75%	0.747	S	S	*	*			cis	53.3	136.4	-9.2	0	0	0	0	0	118.6	P446	P446-A448 HydrophobicContact CB-CB 4.22Å; P446-A448 HydrophobicContact CG-CB 4.22Å
449	P	36.5	Very low	31.2	Very low	102 Å²	102	127.2 Å²	127.2	66%	0.662	73%	0.734	S	S	*	*			cis	-123.9	-158.4	29	12.9	16.5	0	0	0	111.8
450	F	28.1	Very low	31.1	Very low	182 Å²	182	131 Å²	131	80%	0.798	74%	0.738	S	S	*	*			cis	-164.2	160.3	37.7	-106.8	-62.2	0	0	0	115.2
451	S	27.8	Very low	31.1	Very low	86 Å²	86	129 Å²	129	60%	0.601	74%	0.737	S	S	*	*			trans	57.7	115.4	141.4	73.4	0	0	0	0	119.7
452	E	25	Very low	31.1	Very low	147 Å²	147	128.6 Å²	128.6	69%	0.687	73%	0.731	S	S	*	*				85.4	165.6	90	-74.9	-173.3	-161.3	0	0	114.4
453	R	27	Very low	30.8	Very low	203 Å²	203	132.2 Å²	132.2	77%	0.766	74%	0.738	S	S	*	*			trans	62	108.4	154.3	-73.6	162.5	-153	-120.9	-1.5	118.9
454	S	35.4	Very low	30.3	Very low	123 Å²	123	128.4 Å²	128.4	86%	0.86	73%	0.731	S	S	*	*				-63.4	130.4	112.1	-43.9	0	0	0	0	107.3
455	P	28.1	Very low	30.3	Very low	90 Å²	90	129.1 Å²	129.1	58%	0.584	74%	0.74	S	S	*	*				-150.1	165	75.5	41.5	-24.7	0	0	0	116.7
456	F	24	Very low	30.4	Very low	188 Å²	188	127.8 Å²	127.8	83%	0.825	74%	0.736	S	S	*	*			trans	69.9	148.2	142.1	-88.4	-132.9	0	0	0	121
457	W	24.3	Very low	29.8	Very low	222 Å²	222	128 Å²	128	84%	0.841	74%	0.739	S	S	*	*			trans	72.7	98.5	163.4	-72.7	32.6	0	0	0	118.4
458	S	28.5	Very low	29.4	Very low	117 Å²	117	125.1 Å²	125.1	82%	0.818	73%	0.733	S	S	*	*			trans	-47.1	142.4	130	-42.8	0	0	0	0	109.3
459	P	29.6	Very low	29.4	Very low	94 Å²	94	129.9 Å²	129.9	61%	0.61	74%	0.741	S	S	*	*				-149.3	167.5	91	39.8	-23.8	0	0	0	115.9
460	N	27.4	Very low	28.9	Very low	148 Å²	148	130.7 Å²	130.7	79%	0.791	74%	0.739	S	S	*	*			trans	55.4	115.5	145.8	-62.6	-3.7	0	0	0	120.7
461	S	32.9	Very low	29.1	Very low	114 Å²	114	127.7 Å²	127.7	80%	0.797	73%	0.732	S	S	*	*			trans	-42.8	145.3	135.1	-55.6	0	0	0	0	110.2
462	P	35.6	Very low	29.3	Very low	107 Å²	107	132.7 Å²	132.7	70%	0.695	74%	0.739	S	S	*	*				-161	-168.7	69.1	44.4	-22.8	0	0	0	118
463	H	29	Very low	29.6	Very low	165 Å²	165	132.4 Å²	132.4	76%	0.764	74%	0.737	S	S	*	*			trans	68.8	91.6	147.2	-79.3	-61.4	0	0	0	122.8
464	S	25.5	Very low	29.8	Very low	95 Å²	95	128 Å²	128	66%	0.664	73%	0.733	S	S	*	*				44.5	102.3	112.4	65.5	0	0	0	0	121.6
465	S	31.3	Very low	29.7	Very low	132 Å²	132	127.3 Å²	127.3	92%	0.923	73%	0.728	S	S	*	*			trans	179.2	158.9	131.7	42.3	0	0	0	0	105.7
466	G	30.7	Very low	30	Very low	63 Å²	63	127.6 Å²	127.6	65%	0.649	73%	0.732	S	S	*	*			cis	-171.5	149.4	4.5	0	0	0	0	0	104.9
467	S	29.7	Very low	30.5	Very low	111 Å²	111	126 Å²	126	78%	0.776	73%	0.727	S	S	*	*				78.2	96.7	71.5	72.4	0	0	0	0	114.7
468	G	28.2	Very low	30.8	Very low	66 Å²	66	124.1 Å²	124.1	68%	0.68	73%	0.725	S	S	*	*			trans	70.4	-177.4	161.6	0	0	0	0	0	117.1
469	F	32.5	Very low	31	Very low	173 Å²	173	122.8 Å²	122.8	76%	0.759	72%	0.715	S	S	*	*			cis	-133.5	123.1	-6.2	-93.4	-90.7	0	0	0	111
470	D	26.9	Very low	30.9	Very low	118 Å²	118	125.7 Å²	125.7	63%	0.631	73%	0.725	S	S	*	*				26.3	139	118.9	-43.6	-37	0	0	0	119.5
471	N	30.8	Very low	31.4	Very low	120 Å²	120	123.9 Å²	123.9	64%	0.642	72%	0.721	S	S	*	*				-175.3	166	94.9	-102.5	-68.9	0	0	0	116.5
472	Y	32.6	Very low	31.1	Very low	190 Å²	190	125.3 Å²	125.3	75%	0.745	72%	0.719	S	S	*	*			trans	92.6	86.8	171.7	-63.8	-78.5	0	0	0	116.2
473	Q	31.9	Very low	31.3	Very low	142 Å²	142	125.1 Å²	125.1	66%	0.664	72%	0.718	S	S	*	*				80.4	140.6	78.5	-76.1	-170.5	1.2	0	0	111.9
474	T	31.1	Very low	31.4	Very low	110 Å²	110	121.7 Å²	121.7	68%	0.675	71%	0.713	S	S	*	*			cis	-158.7	175.9	4.9	0.9	0	0	0	0	111
475	S	33.5	Very low	31.7	Very low	109 Å²	109	122.6 Å²	122.6	76%	0.762	71%	0.714	S	S	*	*			trans	67.3	141.7	157.6	46.1	0	0	0	0	119.2
476	S	34.1	Very low	31.6	Very low	95 Å²	95	122.9 Å²	122.9	66%	0.664	71%	0.705	S	S	*	*			cis	-169.3	158.6	-10.1	51.6	0	0	0	0	112.9
477	H	33.4	Very low	31.7	Very low	155 Å²	155	126.7 Å²	126.7	72%	0.718	71%	0.706	S	S	*	*			trans	69	119.6	171.5	-65.4	-83.9	0	0	0	116
478	K	32	Very low	31.7	Very low	182 Å²	182	126.6 Å²	126.6	79%	0.791	70%	0.7	S	S	*	*				76.1	137	60.2	-73.6	-169.2	-171.7	-178.2	0	112.8
479	S	31.5	Very low	31.9	Very low	89 Å²	89	132.1 Å²	132.1	62%	0.622	70%	0.702	S	S	*	*			cis	177.8	142.1	-12.1	47.3	0	0	0	0	111.6
480	L	29.3	Very low	31.8	Very low	155 Å²	155	130.5 Å²	130.5	81%	0.812	70%	0.697	S	S	*	*			trans	50.1	167.8	143.9	-67.8	161.9	0	0	0	121
481	P	37.5	Very low	31.9	Very low	110 Å²	110	131 Å²	131	71%	0.714	70%	0.695	S	S	*	*			cis	-111.6	-178.3	-27.4	38.8	-22.5	0	0	0	110.4
482	L	26.1	Very low	31.8	Very low	144 Å²	144	132.7 Å²	132.7	75%	0.754	70%	0.699	S	S	*	*			cis	65.1	154.3	34.6	-76.7	170.2	0	0	0	114.2
483	P	39.9	Very low	31.6	Very low	103 Å²	103	127 Å²	127	67%	0.669	69%	0.688	S	S	*	*			cis	-138.8	-176.4	14	34.2	-10.8	0	0	0	117.4
484	S	30.3	Very low	31.5	Very low	93 Å²	93	123.2 Å²	123.2	65%	0.65	69%	0.686	S	S	*	*			trans	68.2	142.9	136.7	59.2	0	0	0	0	121.6
485	T	32.5	Very low	31.4	Very low	114 Å²	114	126.7 Å²	126.7	70%	0.699	69%	0.688	S	S	*	*			cis	-169.9	153.7	-0.5	14.1	0	0	0	0	113.4
486	L	29.8	Very low	31.2	Very low	139 Å²	139	125 Å²	125	73%	0.728	67%	0.673	S	S	*	*			trans	66.5	151.5	147.2	-61.1	164.5	0	0	0	117.6
487	Q	31.7	Very low	30.8	Very low	143 Å²	143	122.7 Å²	122.7	67%	0.668	66%	0.657	S	S	*	*			cis	-156.3	130.6	-4	-138.9	159.4	-24.6	0	0	113.3
488	T	31	Very low	30.6	Very low	108 Å²	108	118 Å²	118	66%	0.663	64%	0.639	S	S	*	*			trans	58.7	173.9	143.8	51.9	0	0	0	0	120.9
489	Y	31.2	Very low	30.6	Very low	182 Å²	182	113.1 Å²	113.1	71%	0.714	63%	0.628	S	S	*	*			cis	-142.3	135.2	-0.5	-125.2	-75.9	0	0	0	109.4
490	Q	30.9	Very low	30.6	Very low	139 Å²	139	111.4 Å²	111.4	65%	0.65	62%	0.624	S	S	*	*			trans	25.4	160.7	144.8	-63.2	-176.8	-20.7	0	0	123.9
491	Q	29.8	Very low	30.8	Very low	128 Å²	128	107.9 Å²	107.9	60%	0.598	61%	0.613	S	S	*	*			cis	-173.9	160.4	-15.1	-109.3	171	-27.7	0	0	110.9
492	H	28.6	Very low	30.6	Very low	157 Å²	157	108.1 Å²	108.1	73%	0.727	62%	0.617	S	S	*	*			trans	54.4	160.2	145.6	-64.7	-47	0	0	0	120.5
493	S	27.7	Very low	30.8	Very low	71 Å²	71	104.9 Å²	104.9	50%	0.497	62%	0.618	S	S	.	*			cis	-167.8	163.7	-21.2	45.6	0	0	0	0	109.4	V1854 D1855	S493-V1854 CarbonylContact C-O 3.38Å; S493-V1854 VanDerWaalsContact CB-O 3.29Å; S493-V1854 WeakPolarHBondContact CB-O 3.18Å; S493-V1854 PolarHBondContact OG-O 2.98Å; S493-D1855 PolarHBondContact OG-N 3.02Å; S493-D1855 PolarHBondContact OG-O 2.73Å; S493-D1855 VanDerWaalsContact OG-O 3.07Å
494	G	30	Very low	30.4	Very low	61 Å²	61	106.3 Å²	106.3	63%	0.629	62%	0.621	S	S	*	*			trans	150.8	83.3	168.3	0	0	0	0	0	118.3	V1854	G494-V1854 VanDerWaalsContact CA-O 3.28Å; G494-V1854 WeakPolarHBondContact CA-O 3.22Å; G494-V1854 PolarHBondContact N-O 2.68Å; G494-V1854 VanDerWaalsContact N-O 3.11Å
495	Y	28.5	Very low	30.4	Very low	183 Å²	183	112.4 Å²	112.4	72%	0.718	63%	0.63	S	S	*	*			trans	-83	-157.7	170.4	-71.3	-110.2	0	0	0	112.2	Q1852 L1853	Y495-Q1852 WeakPolarHBondContact CB-O 3.27Å; Y495-L1853 WeakPolarHBondContact CB-O 3.13Å; Y495-L1853 PolarHBondContact N-O 2.77Å
496	T	28.5	Very low	30.3	Very low	73 Å²	73	111.4 Å²	111.4	45%	0.448	63%	0.627	S	S	.	*			trans	97.4	167.9	169.7	19	0	0	0	0	123.8	Q1852 L1853	T496-Q1852 HydrophobicContact CG2-CB 4.15Å; T496-Q1852 VanDerWaalsContact CG2-CD 3.49Å; T496-Q1852 HydrophobicContact CG2-CG 3.92Å; T496-L1853 HydrophobicContact CG2-CB 4.11Å; T496-L1853 HydrophobicContact CG2-CD2 4.03Å; T496-L1853 HydrophobicContact CG2-CG 3.71Å; T496-L1853 WeakPolarHBondContact OG1-CA 3.34Å; T496-L1853 WeakPolarHBondContact OG1-CD2 3.33Å; T496-L1853 PolarHBondContact OG1-N 2.8Å; T496-L1853 VanDerWaalsContact OG1-N 3.17Å
497	S	27.4	Very low	30.4	Very low	47 Å²	47	111.5 Å²	111.5	33%	0.329	63%	0.634	S	S	.	*				-171.4	-174	-116.7	60.6	0	0	0	0	117.6	H1850 D1851	S497-H1850 WeakPolarHBondContact CB-ND1 3.38Å; S497-D1851 VanDerWaalsContact CB-OD1 3.28Å; S497-D1851 WeakPolarHBondContact CB-OD1 3.41Å; S497-D1851 VanDerWaalsContact OG-CG 3.29Å; S497-D1851 PolarHBondContact OG-OD1 2.96Å; S497-D1851 VanDerWaalsContact OG-OD1 3.05Å
498	T	29.3	Very low	30.3	Very low	56 Å²	56	107.9 Å²	107.9	34%	0.344	64%	0.635	S	S	.	*			trans	84.1	64.6	150.8	-6.9	0	0	0	0	122.5	Y1849 H1850 D1851	T498-Y1849 HydrophobicContact CG2-CE1 4.37Å; T498-H1850 WeakPolarHBondContact CA-NE2 3.33Å; T498-H1850 PolarHBondContact N-CE1 2.66Å; T498-H1850 PolarHBondContact N-NE2 3.4Å; T498-D1851 WeakPolarHBondContact CG2-OD1 3.24Å; T498-D1851 VanDerWaalsContact OG1-CG 3.31Å; T498-D1851 PolarHBondContact OG1-OD1 2.94Å; T498-D1851 PolarHBondContact OG1-OD2 3.22Å
499	S	30.4	Very low	30.1	Very low	80 Å²	80	108.5 Å²	108.5	56%	0.559	64%	0.642	S	S	*	*			trans	49.1	132.6	133.2	69.4	0	0	0	0	123.9
500	G	31.2	Very low	30	Very low	53 Å²	53	106.3 Å²	106.3	55%	0.546	64%	0.642	S	S	.	*			trans	-174.1	154.2	161	0	0	0	0	0	113.5
501	S	33.5	Very low	29.9	Very low	82 Å²	82	106 Å²	106	57%	0.573	65%	0.645	S	S	*	*			trans	-149.2	146.5	-167.8	62.7	0	0	0	0	119
502	S	33.6	Very low	29.8	Very low	114 Å²	114	111.4 Å²	111.4	80%	0.797	66%	0.66	S	S	*	*			trans	71	140.3	154.7	74.1	0	0	0	0	121.3
503	G	31.3	Very low	29.9	Very low	76 Å²	76	108.2 Å²	108.2	78%	0.784	66%	0.66	S	S	*	*			trans	173.1	56.4	177.9	0	0	0	0	0	120.6
504	N	31.5	Very low	30.7	Very low	134 Å²	134	109.7 Å²	109.7	72%	0.717	67%	0.668	S	S	*	*			trans	24.5	129.2	153.3	-77.2	-47.2	0	0	0	124.9
505	R	30.2	Very low	30.8	Very low	221 Å²	221	116.7 Å²	116.7	83%	0.834	68%	0.682	S	S	*	*				55.5	150.1	121.3	-60.9	179.1	-173.8	-157.9	-1.8	121.5
506	S	29.5	Very low	30.8	Very low	93 Å²	93	111.5 Å²	111.5	65%	0.65	68%	0.684	S	S	*	*			cis	-176.2	166.1	-9.5	51.1	0	0	0	0	112.7
507	T	31.5	Very low	30.8	Very low	141 Å²	141	116.2 Å²	116.2	87%	0.865	70%	0.7	S	S	*	*			trans	63.7	145.6	158.3	48.3	0	0	0	0	120.3
508	G	29.7	Very low	30.9	Very low	67 Å²	67	121 Å²	121	69%	0.691	72%	0.721	S	S	*	*			cis	162.2	170.9	-8.4	0	0	0	0	0	114.9
509	C	27.2	Very low	30.9	Very low	121 Å²	121	122.2 Å²	122.2	82%	0.818	74%	0.737	S	S	*	*			trans	76.1	150.7	159.9	-60.7	0	0	0	0	120.3
510	L	29.3	Very low	30.9	Very low	136 Å²	136	124.1 Å²	124.1	71%	0.712	75%	0.745	S	S	*	*			cis	-168.8	151.4	-7.8	-108.5	169.6	0	0	0	113.6
511	N	28	Very low	30.9	Very low	132 Å²	132	128.8 Å²	128.8	71%	0.706	76%	0.757	S	S	*	*			trans	68.1	155.8	155.1	-64.3	-32.9	0	0	0	120.5
512	R	28.6	Very low	30.8	Very low	241 Å²	241	129.9 Å²	129.9	91%	0.909	76%	0.764	S	S	*	*			cis	-155.4	170.5	4.9	-133.7	174.1	-174.1	176.6	-0.2	112.3
513	A	29.8	Very low	30.7	Very low	90 Å²	90	129.2 Å²	129.2	74%	0.744	76%	0.76	S	S	*	*			trans	-104.6	-162.5	178.7	0	0	0	0	0	112.5
514	P	46	Very low	30.9	Very low	102 Å²	102	130.3 Å²	130.3	66%	0.662	76%	0.755	S	S	*	*			cis	-151	-168.8	18.9	33.2	-4.5	0	0	0	120
515	F	30.7	Very low	31.1	Very low	209 Å²	209	129 Å²	129	92%	0.917	75%	0.748	S	S	*	*			trans	71.5	156.9	170.7	-52.4	-70.3	0	0	0	118.1
516	G	28.8	Very low	31.1	Very low	73 Å²	73	121.4 Å²	121.4	75%	0.753	73%	0.729	S	S	*	*			cis	159.2	165.6	-7.1	0	0	0	0	0	111.6
517	H	29.6	Very low	31.3	Very low	173 Å²	173	121.1 Å²	121.1	80%	0.801	72%	0.72	S	S	*	*			cis	-176.4	144.5	-19.3	-165.9	-127.6	0	0	0	112.8
518	L	28.2	Very low	31.4	Very low	146 Å²	146	119.6 Å²	119.6	76%	0.764	71%	0.706	S	S	*	*			trans	68	160.3	168	-72.3	170.1	0	0	0	120.2
519	A	30.7	Very low	31.6	Very low	82 Å²	82	124.2 Å²	124.2	68%	0.678	71%	0.708	S	S	*	*			cis	-151.7	141.7	-0.9	0	0	0	0	0	113.3
520	V	30.6	Very low	31.8	Very low	120 Å²	120	122.4 Å²	122.4	73%	0.727	69%	0.687	S	S	*	*				69.2	124.6	96.8	-159.9	0	0	0	0	115.9
521	L	30.6	Very low	32	Very low	152 Å²	152	120.8 Å²	120.8	80%	0.796	68%	0.678	S	S	*	*				-168.2	134	81.1	-91.3	170.4	0	0	0	113.9
522	S	30.7	Very low	32.2	Very low	104 Å²	104	117 Å²	117	73%	0.727	66%	0.656	S	S	*	*				86.2	152	114.5	68.9	0	0	0	0	118.6
523	S	32.1	Very low	32.3	Very low	101 Å²	101	111.5 Å²	111.5	71%	0.706	64%	0.641	S	S	*	*			cis	-175.9	173.8	-22.7	57.2	0	0	0	0	111.7
524	S	35.6	Very low	32.3	Very low	98 Å²	98	111.3 Å²	111.3	69%	0.685	63%	0.625	S	S	*	*			trans	64.5	133.3	156.5	32	0	0	0	0	119.5
525	N	35.3	Very low	31.5	Very low	106 Å²	106	110.1 Å²	110.1	57%	0.567	62%	0.619	S	S	*	*			cis	-148.1	-164	22.4	-100.1	2.6	0	0	0	113.6	S1698 N1699	N525-S1698 WeakPolarHBondContact OD1-CB 3.25Å; N525-N1699 PolarHBondContact ND2-O 3.18Å
526	S	30.9	Very low	31.3	Very low	62 Å²	62	104.1 Å²	104.1	43%	0.434	60%	0.596	S	S	.	*			trans	-146.2	-152.5	180	55.8	0	0	0	0	112	S1697 S1698	S526-S1697 PolarHBondContact OG-N 2.94Å; S526-S1697 PolarHBondContact OG-O 3.26Å; S526-S1698 VanDerWaalsContact CA-OG 3.32Å; S526-S1698 WeakPolarHBondContact CA-OG 3.07Å; S526-S1698 PolarHBondContact N-OG 2.86Å; S526-S1698 PolarHBondContact O-OG 3.27Å; S526-S1698 PolarHBondContact OG-N 3.28Å; S526-S1698 VanDerWaalsContact OG-N 3.13Å; S526-S1698 PolarHBondContact OG-OG 3.22Å; S526-S1698 VanDerWaalsContact OG-OG 3.1Å
527	L	34.3	Very low	31.2	Very low	87 Å²	87	102.7 Å²	102.7	46%	0.455	58%	0.575	S	S	.	*			cis	-168	-169.7	7.4	-134.9	-179.3	0	0	0	109.7	C1696	L527-C1696 WeakPolarHBondContact CD1-O 3.33Å
528	N	31.9	Very low	31.4	Very low	109 Å²	109	99.9 Å²	99.9	58%	0.583	57%	0.565	S	S	*	*			trans	82.8	163.9	165	-52.8	-73.6	0	0	0	118.3
529	K	34.3	Very low	31.4	Very low	165 Å²	165	97.2 Å²	97.2	72%	0.717	56%	0.559	S	S	*	*			cis	-170.9	177.7	-29.8	-98	-161.4	-177.8	81	0	109
530	Q	31.9	Very low	31.4	Very low	83 Å²	83	99.8 Å²	99.8	39%	0.388	57%	0.566	S	S	.	*			cis	-177.5	109.5	-45.7	179.9	-179.6	-3.5	0	0	113.4	T177	T177-Q530 PolarHBondContact O-NE2 2.77Å
531	I	32.7	Very low	31.3	Very low	102 Å²	102	98.1 Å²	98.1	52%	0.523	56%	0.56	S	S	.	*			trans	69.8	169.2	149.6	-120.8	171.2	0	0	0	118.2	D178	D178-I531 WeakPolarHBondContact O-CD1 3.28Å
532	Q	32.9	Very low	31.3	Very low	51 Å²	51	98.7 Å²	98.7	24%	0.238	56%	0.564	C	S	.	*			cis	-148.8	-128.6	13.3	-141.4	159.4	37.3	0	0	116.3	D178 N179 P1686 N1687	D178-Q532 PolarHBondContact O-NE2 3.5Å; N179-Q532 PolarHBondContact O-NE2 2.85Å; Q532-P1686 HydrophobicContact CB-CG 4.32Å; Q532-P1686 VanDerWaalsContact OE1-CB 3.28Å; Q532-P1686 VanDerWaalsContact OE1-CG 3.3Å; Q532-P1686 PolarHBondContact OE1-O 3Å; Q532-N1687 PolarHBondContact NE2-O 3.03Å; Q532-N1687 PolarHBondContact OE1-ND2 2.89Å
533	Q	30.1	Very low	31.1	Very low	127 Å²	127	99.1 Å²	99.1	59%	0.593	57%	0.565	S	S	*	*			trans	-153.8	170.4	-164.6	-61.7	-174.8	-17.5	0	0	117.7	R180	R180-Q533 PolarHBondContact O-OE1 3.17Å
534	Q	30.4	Very low	31	Very low	86 Å²	86	99.3 Å²	99.3	40%	0.402	57%	0.567	S	S	.	*			trans	79.8	154	170.2	-52.3	-176.4	-80.7	0	0	116.8	D183	D183-Q534 VanDerWaalsContact N-NE2 3.16Å; D183-Q534 PolarHBondContact O-NE2 3.11Å
535	S	28.8	Very low	30.7	Very low	77 Å²	77	102.1 Å²	102.1	54%	0.538	57%	0.572	S	S	.	*			cis	-172.5	161.1	-15.4	47.9	0	0	0	0	109.8	R185 N186	R185-S535 WeakPolarHBondContact O-CA 3.28Å; R185-S535 WeakPolarHBondContact O-CB 3.31Å; N186-S535 CarbonylContact O-C 3.44Å; N186-S535 VanDerWaalsContact O-C 3.23Å; N186-S535 WeakPolarHBondContact O-CA 3.29Å
536	D	26.8	Very low	30.4	Very low	82 Å²	82	103 Å²	103	44%	0.439	58%	0.577	S	S	.	*			cis	-150.5	148.4	3	165.8	62.8	0	0	0	110.4	R185 N186	R185-D536 HydrophobicContact CB-CB 4.38Å; R185-D536 WeakPolarHBondContact CB-OD1 3.49Å; R185-D536 WeakPolarHBondContact CD-OD1 2.96Å; R185-D536 IonicContact NH1-OD1 2.71Å; R185-D536 VanDerWaalsContact O-CA 3.29Å; R185-D536 WeakPolarHBondContact O-CA 3.17Å; N186-D536 PolarHBondContact O-N 3.07Å
537	S	27.2	Very low	30.3	Very low	44 Å²	44	106.5 Å²	106.5	31%	0.308	60%	0.595	S	S	.	*				166.4	169.8	103.2	58.6	0	0	0	0	115.5	N186 Q187	N186-S537 VanDerWaalsContact ND2-C 3.26Å; N186-S537 PolarHBondContact ND2-O 3.49Å; Q187-S537 PolarHBondContact NE2-O 3.29Å
538	N	33.6	Very low	30.7	Very low	113 Å²	113	106 Å²	106	60%	0.604	60%	0.598	S	S	*	*			trans	53.7	166.5	145.5	-71.2	-22.9	0	0	0	123.5
539	S	28.8	Very low	30.7	Very low	90 Å²	90	109.8 Å²	109.8	63%	0.629	61%	0.609	S	S	*	*			cis	-176	152.1	-32	60.9	0	0	0	0	112.3
540	V	30.5	Very low	30.6	Very low	136 Å²	136	110.4 Å²	110.4	82%	0.824	61%	0.612	S	S	*	*			trans	59.2	144.3	142.7	165.1	0	0	0	0	119.3
541	S	27.2	Very low	30.5	Very low	85 Å²	85	112.6 Å²	112.6	59%	0.594	63%	0.625	S	S	*	*			cis	-171.3	167.4	-23.1	67.4	0	0	0	0	108.8
542	N	32.1	Very low	30.3	Very low	164 Å²	164	113 Å²	113	88%	0.877	63%	0.632	S	S	*	*			trans	-160.3	144.7	139.3	-110.7	-30.1	0	0	0	111.7
543	C	26.4	Very low	30.2	Very low	113 Å²	113	115.6 Å²	115.6	76%	0.764	65%	0.652	S	S	*	*			trans	-137.6	162.8	-168.3	-62.6	0	0	0	0	112.1
544	S	28.9	Very low	30.1	Very low	105 Å²	105	116.5 Å²	116.5	73%	0.734	66%	0.661	S	S	*	*			trans	-160.1	116.4	151.6	-84.9	0	0	0	0	113.3
545	I	30.9	Very low	30	Very low	157 Å²	157	116.9 Å²	116.9	81%	0.805	67%	0.673	S	S	*	*				60.4	122.7	121.5	-61.2	163.8	0	0	0	116.9
546	D	28.4	Very low	30	Very low	124 Å²	124	117.8 Å²	117.8	66%	0.663	68%	0.679	S	S	*	*			cis	-152.8	-162	-3.8	-146.5	29.1	0	0	0	108.1	P548	D546-P548 WeakPolarHBondContact OD2-CD 2.98Å
547	V	28.6	Very low	30.1	Very low	136 Å²	136	120.6 Å²	120.6	82%	0.824	70%	0.695	S	S	*	*			cis	-138.8	136.8	19.6	-179.1	0	0	0	0	110.5
548	P	43.3	Very low	30	Very low	78 Å²	78	126.3 Å²	126.3	51%	0.506	72%	0.718	S	S	.	*			trans	-121.5	158.5	-169.3	41.5	-32.6	0	0	0	116.6	D546	D546-P548 WeakPolarHBondContact OD2-CD 2.98Å
549	K	31.7	Very low	29.7	Very low	188 Å²	188	127.8 Å²	127.8	82%	0.817	73%	0.725	S	S	*	*				160.7	141.9	117.8	-93.1	161.7	-177.7	168.4	0	117.7
550	K	30.8	Very low	29.6	Very low	178 Å²	178	131.1 Å²	131.1	77%	0.774	74%	0.735	S	S	*	*			trans	70.5	150.3	155.7	-65.3	-177.7	169.3	-173	0	119.4
551	L	30	Very low	29.8	Very low	128 Å²	128	129.7 Å²	129.7	67%	0.67	73%	0.728	S	S	*	*			cis	-165.9	156.3	-21.7	-107.1	171.1	0	0	0	110.9
552	T	29.4	Very low	29.8	Very low	110 Å²	110	130.7 Å²	130.7	68%	0.675	74%	0.735	S	S	*	*			trans	67.9	126.8	146.2	47.1	0	0	0	0	125.6
553	T	30.1	Very low	29.4	Very low	107 Å²	107	128.6 Å²	128.6	66%	0.656	73%	0.732	S	S	*	*				83.8	111.5	129.2	54.3	0	0	0	0	124.3
554	N	27.8	Very low	29.6	Very low	146 Å²	146	133.8 Å²	133.8	78%	0.781	74%	0.736	S	S	*	*				65.3	149.4	118.2	-57.1	7.3	0	0	0	121.8
555	S	28.3	Very low	29.6	Very low	93 Å²	93	133.9 Å²	133.9	65%	0.65	73%	0.732	S	S	*	*			cis	-171.9	171.4	-25.9	59.3	0	0	0	0	110.5
556	S	29	Very low	29.6	Very low	96 Å²	96	129.9 Å²	129.9	67%	0.671	71%	0.712	S	S	*	*			trans	89.8	126.2	151.6	-48.9	0	0	0	0	120.8
557	N	28.4	Very low	29.7	Very low	142 Å²	142	127 Å²	127	76%	0.759	71%	0.712	S	S	*	*			trans	81	100.6	140.8	-64	5.9	0	0	0	122.4
558	M	26.8	Very low	29.8	Very low	163 Å²	163	124.9 Å²	124.9	80%	0.803	70%	0.695	S	S	*	*				76	129.4	119.2	-84.8	-174.1	146.8	0	0	122.7
559	I	27	Very low	29.9	Very low	145 Å²	145	126.7 Å²	126.7	74%	0.744	71%	0.707	S	S	*	*			trans	80	118.1	140.9	-65.7	167.4	0	0	0	117.9
560	L	25.8	Very low	30	Very low	159 Å²	159	120.9 Å²	120.9	83%	0.832	69%	0.688	S	S	*	*			trans	-65.3	172.9	164.9	-74.9	163.1	0	0	0	112.3
561	P	35	Very low	30.1	Very low	107 Å²	107	117.7 Å²	117.7	70%	0.695	68%	0.679	S	S	*	*			cis	-129.4	171.2	-10.2	31.5	-13.3	0	0	0	113.6
562	S	27.1	Very low	30.2	Very low	105 Å²	105	116.4 Å²	116.4	73%	0.734	68%	0.681	S	S	*	*				163	119.8	118.3	-74.2	0	0	0	0	113.6
563	C	24.8	Very low	30.4	Very low	121 Å²	121	117.2 Å²	117.2	82%	0.818	69%	0.685	S	S	*	*			trans	34.3	123	151.1	-55.9	0	0	0	0	120.8
564	R	29.3	Very low	30.4	Very low	221 Å²	221	117.8 Å²	117.8	83%	0.834	69%	0.689	S	S	*	*				-176.8	135	101	-103.5	-176.7	-178.8	-156.3	1	115.7
565	T	28.7	Very low	30.7	Very low	108 Å²	108	117 Å²	117	66%	0.663	69%	0.689	S	S	*	*			trans	62	144.5	145.5	57.1	0	0	0	0	118.3	Q1814	T565-Q1814 PolarHBondContact O-OE1 3.36Å
566	L	31.1	Very low	30.8	Very low	72 Å²	72	117.1 Å²	117.1	38%	0.377	69%	0.69	S	S	.	*				-157	158.9	74.9	-90.6	162.8	0	0	0	115	L568 Q1814 I1815	L566-L568 HydrophobicContact CD2-CD1 3.87Å; L566-L568 HydrophobicContact CD2-CG 4.09Å; L566-Q1814 PolarHBondContact O-NE2 3.1Å; L566-Q1814 PolarHBondContact O-OE1 3.32Å; L566-I1815 HydrophobicContact CB-CD1 4.01Å; L566-I1815 HydrophobicContact CB-CG1 3.64Å; L566-I1815 HydrophobicContact CD1-CD1 3.79Å; L566-I1815 HydrophobicContact CD1-CG1 4.1Å
567	G	30.1	Very low	30.9	Very low	65 Å²	65	118 Å²	118	67%	0.67	70%	0.696	S	S	*	*			trans	168.8	98.5	174.2	0	0	0	0	0	108.8
568	L	32	Very low	31.1	Very low	90 Å²	90	115.8 Å²	115.8	47%	0.471	69%	0.692	S	S	.	*			trans	-107.2	162.9	-163.6	-89.6	163.6	0	0	0	114.5	L566 T570 N1816 Y1817	L566-L568 HydrophobicContact CD2-CD1 3.87Å; L566-L568 HydrophobicContact CD2-CG 4.09Å; L568-T570 HydrophobicContact CB-CG2 4.21Å; L568-T570 HydrophobicContact CD1-CG2 4.03Å; L568-T570 HydrophobicContact CD2-CG2 4.43Å; L568-T570 HydrophobicContact CG-CG2 4.47Å; L568-N1816 PolarHBondContact N-OD1 2.79Å; L568-Y1817 WeakPolarHBondContact CA-OH 3.19Å; L568-Y1817 HydrophobicContact CB-CE2 4.05Å; L568-Y1817 WeakPolarHBondContact CB-OH 3.25Å; L568-Y1817 PolarHBondContact O-OH 2.67Å
569	P	45.2	Very low	31.4	Very low	117 Å²	117	115.7 Å²	115.7	76%	0.76	69%	0.689	S	S	*	*			trans	-103.6	157.9	132.4	-12.2	30.9	0	0	0	112.7	Y1817	P569-Y1817 VanDerWaalsContact CA-OH 3.3Å; P569-Y1817 WeakPolarHBondContact CA-OH 3.49Å
570	T	32.8	Very low	31.7	Very low	66 Å²	66	115.4 Å²	115.4	41%	0.405	69%	0.688	S	S	.	*			trans	-151.5	167.2	-177.7	48.8	0	0	0	0	113.8	L568 Y1817	L568-T570 HydrophobicContact CB-CG2 4.21Å; L568-T570 HydrophobicContact CD1-CG2 4.03Å; L568-T570 HydrophobicContact CD2-CG2 4.43Å; L568-T570 HydrophobicContact CG-CG2 4.47Å; T570-Y1817 HydrophobicContact CG2-CE2 4.09Å; T570-Y1817 PolarHBondContact OG1-OH 3.24Å
571	N	33.3	Very low	32	Very low	111 Å²	111	113.2 Å²	113.2	59%	0.594	68%	0.681	S	S	*	*			trans	89.1	142.9	160.2	-51.6	-43.9	0	0	0	117.5
572	S	33.1	Very low	31.8	Very low	101 Å²	101	116.6 Å²	116.6	71%	0.706	69%	0.685	S	S	*	*			cis	-168.7	-174.5	-4.6	39.9	0	0	0	0	112.3
573	V	32.4	Very low	32	Very low	127 Å²	127	118.8 Å²	118.8	77%	0.77	69%	0.689	S	S	*	*			trans	86.1	128.3	162.2	175.6	0	0	0	0	116.4
574	T	31.3	Very low	32.1	Very low	119 Å²	119	118.5 Å²	118.5	73%	0.73	69%	0.686	S	S	*	*			cis	-166.1	164.3	-7.8	24.4	0	0	0	0	113.8
575	V	32.5	Very low	32.2	Very low	128 Å²	128	114.9 Å²	114.9	78%	0.776	68%	0.684	S	S	*	*			trans	86.2	84.2	142.5	160.4	0	0	0	0	122.9
576	S	30.5	Very low	32.4	Very low	97 Å²	97	116.3 Å²	116.3	68%	0.678	69%	0.687	S	S	*	*				52.9	149.4	119.5	63.8	0	0	0	0	128.3
577	S	31.8	Very low	32.4	Very low	114 Å²	114	120.1 Å²	120.1	80%	0.797	71%	0.708	S	S	*	*			trans	70.9	143.6	155.9	52.4	0	0	0	0	120.8
578	S	31.6	Very low	32.4	Very low	96 Å²	96	123.3 Å²	123.3	67%	0.671	71%	0.714	S	S	*	*			cis	-171.9	-168.2	-26.6	52.7	0	0	0	0	108.3
579	E	33.7	Very low	32.2	Very low	161 Å²	161	127 Å²	127	75%	0.752	73%	0.734	S	S	*	*			cis	-170.2	-170.1	6.1	-142.4	157.3	116.1	0	0	113.7
580	I	33.3	Very low	31.3	Very low	138 Å²	138	129.5 Å²	129.5	71%	0.708	74%	0.735	S	S	*	*			trans	73.2	88.6	156.5	-63.7	161.5	0	0	0	121.5
581	T	31.4	Very low	31	Very low	113 Å²	113	132 Å²	132	69%	0.693	76%	0.755	S	S	*	*			trans	30.4	144	132.8	68.6	0	0	0	0	122.9
582	K	32.3	Very low	30.7	Very low	178 Å²	178	130 Å²	130	77%	0.774	75%	0.754	S	S	*	*			cis	173	145.4	48.5	-133.4	158.5	-173.7	174	0	113.6
583	N	30	Very low	30.5	Very low	152 Å²	152	133.8 Å²	133.8	81%	0.813	76%	0.763	S	S	*	*			trans	70.4	154.2	150.9	-71	15	0	0	0	124.1
584	C	26.9	Very low	30.2	Very low	114 Å²	114	132.1 Å²	132.1	77%	0.77	76%	0.763	S	S	*	*			trans	-132.9	151.2	-172.2	-47.8	0	0	0	0	112.6
585	N	31.8	Very low	30	Very low	146 Å²	146	136.4 Å²	136.4	78%	0.781	77%	0.771	S	S	*	*				166.6	153.2	119.9	-88.6	-7.1	0	0	0	115.1
586	N	32.2	Very low	29.8	Very low	137 Å²	137	134.6 Å²	134.6	73%	0.733	77%	0.77	S	S	*	*			trans	63.9	100.7	155.9	-64.3	-3.2	0	0	0	121.3
587	N	31.5	Very low	29.8	Very low	152 Å²	152	134.1 Å²	134.1	81%	0.813	77%	0.772	S	S	*	*				52.9	125.7	124.9	-75.1	1	0	0	0	122.9
588	V	29.8	Very low	29.7	Very low	133 Å²	133	135.5 Å²	135.5	81%	0.806	78%	0.775	S	S	*	*			trans	70.5	90.4	150.2	-174.8	0	0	0	0	117.1
589	L	28.3	Very low	29.7	Very low	168 Å²	168	135 Å²	135	88%	0.88	78%	0.776	S	S	*	*				-164.9	162.5	111.7	-108.6	159.5	0	0	0	111.9
590	Q	27.6	Very low	29.6	Very low	169 Å²	169	133.6 Å²	133.6	79%	0.79	78%	0.779	S	S	*	*			trans	-84.1	152.2	175	-66.5	175.9	-57.2	0	0	111.4
591	S	26.2	Very low	29.5	Very low	117 Å²	117	131.5 Å²	131.5	82%	0.818	78%	0.782	S	S	*	*			trans	65	158.5	147.2	-66.1	0	0	0	0	118.6
592	A	27.5	Very low	29.6	Very low	70 Å²	70	130.3 Å²	130.3	58%	0.579	78%	0.784	S	S	*	*			cis	-169.5	178.4	-26.9	0	0	0	0	0	107.4
593	M	26.9	Very low	29.5	Very low	181 Å²	181	126.7 Å²	126.7	89%	0.892	79%	0.787	S	S	*	*			trans	69.6	119.5	164.9	-52.8	173.9	-162.9	0	0	114.6
594	A	26.6	Very low	29.6	Very low	92 Å²	92	123.9 Å²	123.9	76%	0.76	79%	0.785	S	S	*	*				82.6	119.5	53.6	0	0	0	0	0	114.2
595	F	28.6	Very low	29.9	Very low	208 Å²	208	123.1 Å²	123.1	91%	0.912	79%	0.787	S	S	*	*			trans	-109.4	129.4	153.3	-87	-104.6	0	0	0	106.1
596	A	28	Very low	29.8	Very low	90 Å²	90	120.9 Å²	120.9	74%	0.744	78%	0.782	S	S	*	*			cis	73.2	143.2	40.6	0	0	0	0	0	112.9
597	A	29.4	Very low	29.7	Very low	88 Å²	88	118.7 Å²	118.7	73%	0.727	78%	0.778	S	S	*	*			cis	-128.2	169.1	4.6	0	0	0	0	0	110.6
598	V	30.2	Very low	29.5	Very low	143 Å²	143	117.3 Å²	117.3	87%	0.867	78%	0.775	S	S	*	*				-174.1	147	73.1	152.5	0	0	0	0	106.9
599	A	31.1	Very low	29.5	Very low	84 Å²	84	116.8 Å²	116.8	69%	0.694	77%	0.773	S	S	*	*			cis	-167.9	-170.5	-17.8	0	0	0	0	0	106.2
600	V	32.9	Very low	29.5	Very low	133 Å²	133	113.7 Å²	113.7	81%	0.806	77%	0.765	S	S	*	*			cis	-150.6	148	6.1	82.1	0	0	0	0	109.7
601	A	31.2	Very low	29.5	Very low	94 Å²	94	110.4 Å²	110.4	78%	0.777	76%	0.761	S	S	*	*			trans	33.1	150.8	153.6	0	0	0	0	0	122.3
602	A	32.1	Very low	29.7	Very low	88 Å²	88	112.4 Å²	112.4	73%	0.727	76%	0.76	S	S	*	*			cis	-155.9	156.7	10.3	0	0	0	0	0	113
603	A	31.3	Very low	29.7	Very low	101 Å²	101	114.8 Å²	114.8	84%	0.835	77%	0.768	S	S	*	*			trans	44.7	145.8	135.9	0	0	0	0	0	122.9
604	A	32.1	Very low	29.9	Very low	93 Å²	93	114.2 Å²	114.2	77%	0.769	76%	0.763	S	S	*	*			cis	-172.7	155.9	-15.9	0	0	0	0	0	110.9
605	A	32.1	Very low	29.9	Very low	98 Å²	98	118.3 Å²	118.3	81%	0.81	76%	0.759	S	S	*	*			trans	60.7	154.5	149.4	0	0	0	0	0	120.4
606	S	30.3	Very low	29.9	Very low	99 Å²	99	114.7 Å²	114.7	69%	0.692	75%	0.745	S	S	*	*			cis	-167.6	149.3	-27.5	52.3	0	0	0	0	111.5
607	S	29.4	Very low	29.9	Very low	91 Å²	91	116.5 Å²	116.5	64%	0.636	74%	0.742	S	S	*	*			trans	59.7	120.2	145.3	62.5	0	0	0	0	122.7
608	T	28.7	Very low	29.9	Very low	123 Å²	123	116.5 Å²	116.5	76%	0.755	74%	0.737	S	S	*	*				83.6	143.9	129.5	50.6	0	0	0	0	124
609	T	30.1	Very low	29.9	Very low	123 Å²	123	114.3 Å²	114.3	76%	0.755	73%	0.728	S	S	*	*			trans	76.3	102.3	149	37.9	0	0	0	0	122.3
610	S	27.7	Very low	30.1	Very low	103 Å²	103	116.1 Å²	116.1	72%	0.72	73%	0.725	S	S	*	*				70.5	135.6	128.4	57.6	0	0	0	0	123.6
611	S	27.8	Very low	30	Very low	100 Å²	100	114.2 Å²	114.2	70%	0.699	71%	0.71	S	S	*	*			trans	66.9	107.1	147.7	53.5	0	0	0	0	121.5
612	I	29.3	Very low	29.8	Very low	158 Å²	158	112.5 Å²	112.5	81%	0.81	69%	0.688	S	S	*	*				35.6	108.1	126.9	-45.4	168.2	0	0	0	117.2
613	T	28.3	Very low	29.9	Very low	121 Å²	121	115.4 Å²	115.4	74%	0.742	68%	0.684	S	S	*	*				-169.1	155.4	115.2	12.3	0	0	0	0	112.8
614	E	30.2	Very low	30.1	Very low	168 Å²	168	115.6 Å²	115.6	79%	0.785	67%	0.667	S	S	*	*			trans	55.8	101.5	151	-70.6	171	-168	0	0	122
615	R	27.7	Very low	30.1	Very low	179 Å²	179	114.5 Å²	114.5	68%	0.675	65%	0.651	S	S	*	*				51.2	138.5	110	-68.6	-175.8	101	148.6	3.6	121.1
616	E	28	Very low	30.2	Very low	132 Å²	132	115.8 Å²	115.8	62%	0.617	64%	0.644	S	S	*	*			trans	49.8	123.8	133.6	-64.2	164.5	-155.9	0	0	118.1
617	N	29.1	Very low	30.1	Very low	127 Å²	127	118.5 Å²	118.5	68%	0.679	65%	0.645	S	S	*	*			cis	-146.7	141.3	27	-93.9	-58.1	0	0	0	109
618	S	28.8	Very low	30	Very low	89 Å²	89	119.6 Å²	119.6	62%	0.622	64%	0.644	S	S	*	*				70.5	151.9	66.6	99.9	0	0	0	0	113.6
619	S	29.3	Very low	30	Very low	96 Å²	96	116.3 Å²	116.3	67%	0.671	62%	0.624	S	S	*	*			trans	68.9	158	-161.8	90.3	0	0	0	0	112.8
620	L	36.3	Very low	30.4	Very low	122 Å²	122	116.5 Å²	116.5	64%	0.639	62%	0.62	S	S	*	*			cis	-93.7	-166.1	14.8	-105.6	167.2	0	0	0	114.9	C9 D10	C9-L620 CarbonylContact C-O 3.25Å; D10-L620 VanDerWaalsContact OD1-C 3.31Å; D10-L620 VanDerWaalsContact OD2-C 3.26Å; D10-L620 WeakPolarHBondContact OD2-CA 3.24Å; D10-L620 WeakPolarHBondContact OD2-CB 3.08Å
621	L	30	Very low	30.7	Very low	94 Å²	94	115.1 Å²	115.1	49%	0.492	60%	0.601	S	S	.	*			trans	-153.4	115.7	-174.1	-176.7	125.4	0	0	0	112.4	C9 D10	C9-L621 HydrophobicContact CB-CD1 4.23Å; D10-L621 WeakPolarHBondContact OD1-CA 3.36Å; D10-L621 PolarHBondContact OD1-N 3.49Å
622	N	27.3	Very low	31	Very low	58 Å²	58	117.6 Å²	117.6	31%	0.31	60%	0.596	S	S	.	*			trans	72.1	172.1	169.9	-73.2	-69.6	0	0	0	116.8	D10 L11 E12	D10-N622 PolarHBondContact OD1-N 3.47Å; L11-N622 HydrophobicContact CB-CB 4.27Å; L11-N622 WeakPolarHBondContact CB-OD1 3.4Å; L11-N622 CarbonylContact O-C 3.59Å; L11-N622 VanDerWaalsContact O-C 3.25Å; L11-N622 WeakPolarHBondContact O-CA 3.19Å; E12-N622 WeakPolarHBondContact OE2-CB 3.36Å; E12-N622 PolarHBondContact OE2-OD1 3.07Å
623	K	34.6	Very low	31.1	Very low	149 Å²	149	115 Å²	115	65%	0.648	58%	0.58	S	S	*	*			trans	136.6	120.1	138	-63.2	-163.4	176.3	175.2	0	112	E12	E12-K623 WeakPolarHBondContact OE2-CA 3.26Å; E12-K623 PolarHBondContact OE2-N 2.93Å
624	H	34.7	Very low	31.2	Very low	105 Å²	105	114.1 Å²	114.1	49%	0.486	58%	0.577	S	S	.	*			cis	-153.7	148	-2.1	-97.8	-27.2	0	0	0	110.7	E12 K14	E12-H624 VanDerWaalsContact OE1-C 3.31Å; E12-H624 VanDerWaalsContact OE2-CA 3.24Å; E12-H624 WeakPolarHBondContact OE2-CA 3.45Å; E12-H624 PolarHBondContact OE2-N 3.38Å; E12-H624 IonicContact OE2-ND1 3.93Å; K14-H624 PolarHBondContact NZ-O 3.05Å
625	V	32.7	Very low	31.2	Very low	70 Å²	70	112.4 Å²	112.4	42%	0.424	56%	0.564	S	S	.	*			cis	101.6	160.9	28.9	105.4	0	0	0	0	113.6	E12	E12-V625 WeakPolarHBondContact OE1-CA 3.18Å; E12-V625 VanDerWaalsContact OE1-CB 3.23Å; E12-V625 WeakPolarHBondContact OE1-CB 3.25Å; E12-V625 PolarHBondContact OE1-N 3.16Å
626	L	33.9	Very low	31.2	Very low	125 Å²	125	108.5 Å²	108.5	65%	0.654	56%	0.557	S	S	*	*			trans	71.2	130.9	168.9	-92.5	30.3	0	0	0	114.4
627	E	27.9	Very low	31.4	Very low	155 Å²	155	109.3 Å²	109.3	72%	0.724	56%	0.56	S	S	*	*			cis	65.8	160.3	43.2	-50.9	-173.5	160.5	0	0	112.9
628	N	28.1	Very low	31.4	Very low	115 Å²	115	107.1 Å²	107.1	62%	0.615	57%	0.567	S	S	*	*			cis	-155.9	179.4	2.8	-137.3	-32.1	0	0	0	107.1
629	T	28.9	Very low	31.5	Very low	54 Å²	54	109.3 Å²	109.3	33%	0.331	57%	0.571	S	S	.	*			cis	-158.5	-135.9	10.2	-22.7	0	0	0	0	111.1	S2476 F2477	T629-S2476 WeakPolarHBondContact CG2-OG 3.39Å; T629-F2477 VanDerWaalsContact CB-CE1 3.5Å; T629-F2477 HydrophobicContact CG2-CD1 3.67Å; T629-F2477 HydrophobicContact CG2-CD2 4.23Å; T629-F2477 HydrophobicContact CG2-CE1 3.45Å; T629-F2477 VanDerWaalsContact CG2-CE1 3.45Å; T629-F2477 HydrophobicContact CG2-CE2 4.02Å; T629-F2477 HydrophobicContact CG2-CG 4.12Å; T629-F2477 HydrophobicContact CG2-CZ 3.68Å; T629-F2477 WeakPolarHBondContact OG1-CE1 3.12Å; T629-F2477 WeakPolarHBondContact OG1-CZ 3.49Å
630	L	39.1	Very low	31.5	Very low	127 Å²	127	112 Å²	112	67%	0.665	57%	0.573	S	S	*	*			trans	83.1	139	176.9	-60.6	168.1	0	0	0	114.3	S2475 F2477	L630-S2475 VanDerWaalsContact O-CB 3.3Å; L630-S2475 WeakPolarHBondContact O-CB 3.42Å; L630-S2475 PolarHBondContact O-OG 2.69Å; L630-F2477 HydrophobicContact CD2-CE2 4.13Å
631	H	33.3	Very low	31.2	Very low	73 Å²	73	114.1 Å²	114.1	34%	0.338	58%	0.58	S	S	.	*			cis	-177.5	152.2	-30.4	-136.4	-13.7	0	0	0	105.3	E633 S2475 S2476 F2477	H631-E633 IonicContact CE1-OE1 3.41Å; H631-E633 PolarHBondContact CE1-OE1 3.26Å; H631-S2475 CarbonylContact C-O 3.55Å; H631-S2475 PolarHBondContact N-OG 2.85Å; H631-S2476 PolarHBondContact CE1-O 2.81Å; H631-S2476 PolarHBondContact ND1-O 3.37Å; H631-F2477 AromaticContact CE1-CD2 3.68Å; H631-F2477 AromaticContact ND1-CD2 3.75Å; H631-F2477 AromaticContact NE2-CD2 3.92Å
632	R	33	Very low	31	Very low	153 Å²	153	118.2 Å²	118.2	58%	0.577	60%	0.596	S	S	*	*			cis	-156.1	162.1	-1.8	22.5	159.1	41.9	73	13.3	106.2	S2475	R632-S2475 CarbonylContact C-O 3.23Å; R632-S2475 WeakPolarHBondContact CA-O 3.28Å; R632-S2475 PolarHBondContact N-O 2.99Å; R632-S2475 VanDerWaalsContact N-O 3.11Å
633	E	31.8	Very low	31.2	Very low	103 Å²	103	120 Å²	120	48%	0.481	61%	0.611	S	S	.	*			cis	-167.1	162.4	-4	-105.7	153.6	-177.3	0	0	105.9	H631 S2476	H631-E633 IonicContact CE1-OE1 3.41Å; H631-E633 PolarHBondContact CE1-OE1 3.26Å; E633-S2476 VanDerWaalsContact CG-O 3.28Å; E633-S2476 WeakPolarHBondContact CG-O 3.46Å
634	C	29.7	Very low	31.2	Very low	102 Å²	102	116.3 Å²	116.3	69%	0.689	60%	0.604	S	S	*	*			cis	-125.3	-164.8	6.7	-100.4	0	0	0	0	108.7
635	R	30.5	Very low	31.1	Very low	132 Å²	132	115.1 Å²	115.1	50%	0.498	61%	0.607	S	S	.	*			cis	74.4	145.4	21.6	-49.5	-175.7	67.8	153	5.2	114.8	F2477 L2478	R635-F2477 PolarHBondContact NH1-O 3.21Å; R635-L2478 PolarHBondContact NH1-O 3.2Å
636	D	28	Very low	30.7	Very low	98 Å²	98	119.8 Å²	119.8	52%	0.524	62%	0.624	S	S	.	*			cis	-152.1	178.3	-1.9	-133	-27.2	0	0	0	113.8
637	H	31.6	Very low	30.4	Very low	149 Å²	149	120.3 Å²	120.3	69%	0.69	64%	0.637	S	S	*	*			trans	75.5	85.1	165.9	-55.3	-51.8	0	0	0	119.3
638	G	30.7	Very low	30.4	Very low	81 Å²	81	121.4 Å²	121.4	84%	0.835	64%	0.642	S	S	*	*			trans	-79.8	122.3	138	0	0	0	0	0	110.3
639	L	30.3	Very low	30.2	Very low	134 Å²	134	121 Å²	121	70%	0.702	65%	0.648	S	S	*	*			trans	-160.7	147	175.2	-79.4	-176.1	0	0	0	106.2
640	H	29.7	Very low	29.9	Very low	154 Å²	154	123.7 Å²	123.7	71%	0.713	67%	0.668	S	S	*	*			cis	-163	159.5	-17.5	-148.6	-132.4	0	0	0	106.7
641	Q	30	Very low	29.3	Very low	166 Å²	166	122 Å²	122	78%	0.776	67%	0.667	S	S	*	*			trans	68.1	129.8	177.6	-52.7	171.1	-19	0	0	113.4
642	H	25.7	Very low	29	Very low	180 Å²	180	120.9 Å²	120.9	83%	0.833	67%	0.667	S	S	*	*			cis	61.3	144.7	47.2	-74.7	-98.4	0	0	0	113.8
643	P	30.4	Very low	28.8	Very low	96 Å²	96	117.3 Å²	117.3	62%	0.623	66%	0.662	S	S	*	*			cis	-119.2	177.8	15.3	44.9	-34.6	0	0	0	115.4
644	S	36.3	Very low	28.7	Very low	71 Å²	71	117.2 Å²	117.2	50%	0.497	67%	0.665	S	S	.	*			trans	5.5	148.9	145.5	61.2	0	0	0	0	120.2	T269	T269-S644 WeakPolarHBondContact CG2-O 3.32Å
645	S	31.5	Very low	28.6	Very low	80 Å²	80	117.9 Å²	117.9	56%	0.559	67%	0.666	S	S	*	*			cis	-169.4	148.9	-13	59.3	0	0	0	0	105.6
646	E	24.8	Very low	28.5	Very low	168 Å²	168	120.5 Å²	120.5	79%	0.785	69%	0.686	S	S	*	*				48.2	97.5	63.8	-75.8	-175.6	-174.9	0	0	113.6
647	C	28.2	Very low	28.6	Very low	136 Å²	136	119.6 Å²	119.6	92%	0.919	70%	0.699	S	S	*	*			trans	-148.4	124.3	130.9	-116.3	0	0	0	0	107.2
648	E	26.2	Very low	28.8	Very low	177 Å²	177	119.5 Å²	119.5	83%	0.827	70%	0.704	S	S	*	*			trans	-89.2	160.7	178.9	-63	-171.1	114.4	0	0	111.6
649	S	24.9	Very low	29	Very low	107 Å²	107	121.5 Å²	121.5	75%	0.748	70%	0.696	S	S	*	*			trans	75.4	156.2	152.4	81.7	0	0	0	0	120
650	C	23.2	Very low	29.2	Very low	111 Å²	111	121.1 Å²	121.1	75%	0.75	69%	0.694	S	S	*	*			trans	59.8	111.4	151.9	-68.3	0	0	0	0	121.8
651	S	25.4	Very low	29.6	Very low	91 Å²	91	120.1 Å²	120.1	64%	0.636	69%	0.694	S	S	*	*				71.6	69.4	119.9	-51.2	0	0	0	0	121.1
652	S	27.8	Very low	29.8	Very low	49 Å²	49	120.2 Å²	120.2	34%	0.343	69%	0.692	S	S	.	*				76	141.6	108.3	65.5	0	0	0	0	123.4	N250 M251 V252 A253	N250-S652 CarbonylContact C-O 3.51Å; N250-S652 VanDerWaalsContact O-O 3.08Å; M251-S652 CarbonylContact C-O 3.58Å; M251-S652 PolarHBondContact N-O 3.07Å; M251-S652 CarbonylContact O-C 3.45Å; M251-S652 VanDerWaalsContact O-CB 3.25Å; M251-S652 WeakPolarHBondContact O-CB 3.16Å; M251-S652 PolarHBondContact O-OG 3.09Å; V252-S652 WeakPolarHBondContact CA-OG 3.2Å; V252-S652 PolarHBondContact N-OG 3.2Å; A253-S652 WeakPolarHBondContact CA-OG 3.35Å
653	T	27.5	Very low	30.1	Very low	78 Å²	78	118 Å²	118	48%	0.479	69%	0.686	S	S	.	*			trans	17.8	116.3	149.7	38	0	0	0	0	124.1	N250 M251	N250-T653 CarbonylContact C-O 3.35Å; N250-T653 CarbonylContact O-C 3.47Å; M251-T653 CarbonylContact C-O 2.95Å; M251-T653 VanDerWaalsContact CA-O 3.28Å; M251-T653 WeakPolarHBondContact CA-O 3.43Å; M251-T653 WeakPolarHBondContact CB-O 3.24Å; M251-T653 VanDerWaalsContact N-C 3.28Å; M251-T653 PolarHBondContact N-O 3.04Å; M251-T653 CarbonylContact O-C 3.53Å; M251-T653 PolarHBondContact O-OG1 2.94Å
654	L	29.8	Very low	30.1	Very low	101 Å²	101	117.8 Å²	117.8	53%	0.529	68%	0.679	S	S	.	*				-172.6	126.5	100.9	-100.1	168.2	0	0	0	114.9	N250 M251	N250-L654 PolarHBondContact O-N 3.24Å; M251-L654 HydrophobicContact CB-CD1 4.21Å; M251-L654 HydrophobicContact CE-CD1 3.8Å; M251-L654 HydrophobicContact SD-CD1 4.07Å
655	T	28.5	Very low	30	Very low	117 Å²	117	121.6 Å²	121.6	72%	0.718	69%	0.689	S	S	*	*			trans	-44	161.1	160.3	53.5	0	0	0	0	114.8
656	M	28	Very low	30	Very low	187 Å²	187	120.9 Å²	120.9	92%	0.921	68%	0.684	S	S	*	*			cis	-160.2	162.7	46	-51.9	175	88.2	0	0	112
657	G	30.8	Very low	30.5	Very low	78 Å²	78	120.2 Å²	120.2	80%	0.804	69%	0.685	S	S	*	*			trans	169.5	62.1	169.2	0	0	0	0	0	121.2
658	N	35.1	Very low	30.6	Very low	148 Å²	148	120.2 Å²	120.2	79%	0.791	68%	0.675	S	S	*	*			trans	-53.2	161	164.1	-77	-0.6	0	0	0	113.6
659	N	34.6	Very low	30.8	Very low	123 Å²	123	114.9 Å²	114.9	66%	0.658	66%	0.657	S	S	*	*			cis	-172.9	175.2	8.7	-120.2	-5.6	0	0	0	114.5
660	N	34.4	Very low	31.1	Very low	125 Å²	125	115.8 Å²	115.8	67%	0.668	66%	0.658	S	S	*	*			trans	75.4	115.2	151.2	-59.3	-23.3	0	0	0	122.5
661	N	38.2	Very low	31.4	Very low	133 Å²	133	117.1 Å²	117.1	71%	0.711	65%	0.649	S	S	*	*				173.2	130.1	93.6	-95.7	-62.6	0	0	0	117
662	K	35.1	Very low	31.7	Very low	169 Å²	169	118.7 Å²	118.7	74%	0.735	65%	0.65	S	S	*	*			trans	65.5	120.6	136.6	-70.1	179.7	178.1	-175.2	0	125.2
663	L	32.1	Very low	31.6	Very low	133 Å²	133	123.4 Å²	123.4	70%	0.696	67%	0.671	S	S	*	*				70.9	113.7	127.3	-63.1	171.1	0	0	0	119
664	N	30.2	Very low	31.6	Very low	91 Å²	91	126.3 Å²	126.3	49%	0.487	68%	0.683	S	S	.	*				74.6	135.2	82.3	-75.7	47.9	0	0	0	112.5	Y671	N664-Y671 PolarHBondContact OD1-OH 3.44Å; N664-Y671 VanDerWaalsContact OD1-OH 3.14Å
665	E	32.8	Very low	31.8	Very low	151 Å²	151	127.7 Å²	127.7	71%	0.706	70%	0.695	S	S	*	*			cis	-169.5	178.4	4.1	-126.2	-172.4	-72.8	0	0	109.8
666	S	33.3	Very low	31.9	Very low	65 Å²	65	127.3 Å²	127.3	46%	0.455	70%	0.695	S	S	.	*			cis	-157.9	-159	-1.4	-156	0	0	0	0	110.4
667	I	34.4	Very low	31.8	Very low	155 Å²	155	122.6 Å²	122.6	80%	0.795	68%	0.68	S	S	*	*	S	Bend	trans	67	85.6	168.5	-37.4	-178.2	0	0	0	116.6
668	N	30.5	Very low	31.5	Very low	136 Å²	136	124.8 Å²	124.8	73%	0.727	68%	0.682	S	S	*	*	S	Bend	cis	-137.4	127.4	-8.2	-98.1	-7.5	0	0	0	104.6
669	S	30.7	Very low	31.3	Very low	64 Å²	64	124.9 Å²	124.9	45%	0.448	68%	0.676	S	S	.	*				57.6	137.9	51.4	89.6	0	0	0	0	111.4
670	V	31	Very low	31	Very low	127 Å²	127	125.7 Å²	125.7	77%	0.77	68%	0.677	S	S	*	*			cis	-129.5	115.2	19	163.1	0	0	0	0	107
671	Y	29.8	Very low	30.5	Very low	139 Å²	139	128 Å²	128	55%	0.545	68%	0.681	S	S	.	*				72	124.6	91.6	-94.8	-143.5	0	0	0	115.4	N664	N664-Y671 PolarHBondContact OD1-OH 3.44Å; N664-Y671 VanDerWaalsContact OD1-OH 3.14Å
672	N	31.7	Very low	29.9	Very low	124 Å²	124	127.7 Å²	127.7	66%	0.663	69%	0.686	S	S	*	*				48	113.3	126.7	-51	-7.1	0	0	0	117.5
673	N	24.9	Very low	29.8	Very low	147 Å²	147	125.1 Å²	125.1	79%	0.786	69%	0.687	S	S	*	*				56.7	104.6	53.2	-149.8	14.1	0	0	0	112.8
674	L	27.3	Very low	29.6	Very low	140 Å²	140	124.6 Å²	124.6	73%	0.733	69%	0.694	S	S	*	*			trans	64.4	113.7	178.1	-60.6	164.9	0	0	0	115.4
675	V	35.5	Very low	29.6	Very low	130 Å²	130	124.1 Å²	124.1	79%	0.788	70%	0.698	S	S	*	*				59.1	110.7	76.9	176.2	0	0	0	0	110.4
676	P	30.4	Very low	29.3	Very low	109 Å²	109	119.4 Å²	119.4	71%	0.708	69%	0.685	S	S	*	*				-152.1	-177.4	91.9	41.5	-24.2	0	0	0	116.6
677	S	24.6	Very low	29.1	Very low	88 Å²	88	119 Å²	119	62%	0.615	68%	0.68	S	S	*	*			trans	83.6	140.5	167.6	-32.9	0	0	0	0	114.9
678	C	25.8	Very low	28.8	Very low	123 Å²	123	116.8 Å²	116.8	83%	0.831	67%	0.668	S	S	*	*	S	Bend	cis	-107	153.4	1.5	-78	0	0	0	0	111.2
679	F	29.8	Very low	28.8	Very low	151 Å²	151	118.7 Å²	118.7	66%	0.662	67%	0.67	S	S	*	*			cis	172.7	156.1	-12.6	-124.6	-135.5	0	0	0	102.1
680	M	28.9	Very low	28.7	Very low	140 Å²	140	120.3 Å²	120.3	69%	0.69	68%	0.682	S	S	*	*			cis	-161.7	-173.7	-18.3	-133.5	-159.7	-164.5	0	0	110
681	K	22.9	Very low	28.6	Very low	173 Å²	173	121.8 Å²	121.8	75%	0.752	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-55.8	147.3	159.7	-54	170.1	179.8	176.6	0	110.8	P683	K681-P683 WeakPolarHBondContact O-CD 3.32Å
682	P	27.1	Very low	28.5	Very low	127 Å²	127	118.5 Å²	118.5	83%	0.825	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-77.6	118.3	144.2	31.3	-27.9	0	0	0	109.1
683	P	32.3	Very low	28.3	Very low	115 Å²	115	118.2 Å²	118.2	75%	0.747	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-83.3	132.5	167.3	32.9	-30.9	0	0	0	110	K681 S685	K681-P683 WeakPolarHBondContact O-CD 3.32Å; P683-S685 PolarHBondContact O-N 2.72Å
684	S	28	Very low	28.4	Very low	122 Å²	122	117 Å²	117	85%	0.853	69%	0.687	S	S	*	*			trans	-91	100.7	178.8	60	0	0	0	0	112.6
685	S	29.6	Very low	28.5	Very low	81 Å²	81	115.5 Å²	115.5	57%	0.566	68%	0.684	S	S	*	*			trans	-109.9	123.5	134.3	54.4	0	0	0	0	105.9	P683 L2516 F2517	P683-S685 PolarHBondContact O-N 2.72Å; S685-L2516 CarbonylContact C-O 3.03Å; S685-L2516 WeakPolarHBondContact CA-O 3.22Å; S685-L2516 VanDerWaalsContact CB-O 3.29Å; S685-L2516 WeakPolarHBondContact CB-O 3.44Å; S685-F2517 WeakPolarHBondContact O-CD2 3.03Å
686	A	27.2	Very low	28.2	Very low	52 Å²	52	114.9 Å²	114.9	43%	0.43	68%	0.676	S	S	.	*			trans	-142.6	156	-173.9	0	0	0	0	0	116.4	Q2515 L2516 F2517	A686-Q2515 CarbonylContact O-C 3.03Å; A686-Q2515 VanDerWaalsContact O-CA 3.29Å; A686-Q2515 WeakPolarHBondContact O-CA 3.29Å; A686-L2516 CarbonylContact C-O 2.96Å; A686-L2516 VanDerWaalsContact CA-O 3.31Å; A686-L2516 WeakPolarHBondContact CA-O 3.41Å; A686-L2516 PolarHBondContact N-O 3.18Å; A686-L2516 PolarHBondContact O-N 2.87Å; A686-F2517 VanDerWaalsContact CA-CD2 3.49Å; A686-F2517 HydrophobicContact CB-CD2 3.81Å; A686-F2517 HydrophobicContact CB-CE2 4.01Å
687	T	28.6	Very low	28.3	Very low	57 Å²	57	115.4 Å²	115.4	35%	0.35	67%	0.673	S	S	.	*			trans	-140.9	-63.6	173.7	-19.9	0	0	0	0	113.3	Q2515 L2516 F2517	T687-Q2515 HydrophobicContact CG2-CB 4.05Å; T687-Q2515 HydrophobicContact CG2-CG 4.11Å; T687-L2516 WeakPolarHBondContact OG1-CA 3.38Å; T687-L2516 PolarHBondContact OG1-N 2.76Å; T687-F2517 WeakPolarHBondContact OG1-CB 3.27Å
688	I	28.4	Very low	28.7	Very low	107 Å²	107	117.4 Å²	117.4	55%	0.549	68%	0.677	S	S	.	*			trans	-138.8	110.8	-147.6	-80.9	164.2	0	0	0	112.4	F2517	I688-F2517 VanDerWaalsContact O-CE1 3.24Å; I688-F2517 WeakPolarHBondContact O-CE1 3.28Å
689	K	30	Very low	29.2	Very low	176 Å²	176	117.2 Å²	117.2	77%	0.765	67%	0.667	S	S	*	*			trans	62.7	118	133.4	-62.8	-173.4	-175.2	-174.6	0	117.1
690	S	28.1	Very low	29.4	Very low	99 Å²	99	113.7 Å²	113.7	69%	0.692	66%	0.662	S	S	*	*				68	148.6	77.1	89.2	0	0	0	0	113.1
691	L	29.7	Very low	29.5	Very low	158 Å²	158	112.8 Å²	112.8	83%	0.827	66%	0.66	S	S	*	*			cis	-153.3	-174.1	11.6	-161.3	72.8	0	0	0	107.8
692	A	28.7	Very low	29.9	Very low	70 Å²	70	107.6 Å²	107.6	58%	0.579	64%	0.642	S	S	*	*			trans	50.5	112.7	149.6	0	0	0	0	0	118.8
693	T	27.3	Very low	30.2	Very low	117 Å²	117	103.1 Å²	103.1	72%	0.718	61%	0.612	S	S	*	*				53.5	124	68.6	73.5	0	0	0	0	114.6
694	T	26.6	Very low	30.2	Very low	121 Å²	121	99.7 Å²	99.7	74%	0.742	59%	0.587	S	S	*	*			trans	54.6	136.7	135.8	60.1	0	0	0	0	119.8
695	T	28.1	Very low	30.4	Very low	110 Å²	110	98.5 Å²	98.5	68%	0.675	57%	0.57	S	S	*	*			cis	-152.8	-173.7	-0.4	15.1	0	0	0	0	106.2
696	D	30.2	Very low	30.5	Very low	117 Å²	117	98.3 Å²	98.3	63%	0.626	57%	0.569	S	S	*	*				-177.9	148.8	57.6	-106.6	-75.9	0	0	0	110.1
697	N	31.4	Very low	30.6	Very low	120 Å²	120	102.2 Å²	102.2	64%	0.642	58%	0.582	S	S	*	*				23.5	130.1	120.5	-62.4	-31.2	0	0	0	116.2
698	N	33.7	Very low	30.5	Very low	129 Å²	129	105.3 Å²	105.3	69%	0.69	60%	0.597	S	S	*	*			cis	-173.4	-178.2	31.8	-106.6	-10.9	0	0	0	107.7
699	N	35.9	Very low	30.6	Very low	119 Å²	119	106.9 Å²	106.9	64%	0.636	61%	0.606	S	S	*	*			cis	-148.6	137.6	4.3	-129.2	1.9	0	0	0	106.7
700	S	34.2	Very low	30.6	Very low	78 Å²	78	103.3 Å²	103.3	55%	0.545	60%	0.603	S	S	.	*				65.7	134.1	97.3	91.5	0	0	0	0	115.7
701	N	31.9	Very low	30.7	Very low	121 Å²	121	103.5 Å²	103.5	65%	0.647	60%	0.6	S	S	*	*			cis	-155.6	163.1	-12.4	-124.1	-16.6	0	0	0	107.3	N703	N701-N703 PolarHBondContact ND2-OD1 2.71Å; N701-N703 VanDerWaalsContact ND2-OD1 3.12Å
702	T	31.5	Very low	30.7	Very low	63 Å²	63	101.6 Å²	101.6	39%	0.387	59%	0.591	S	S	.	*				174	149.8	76.3	32.2	0	0	0	0	107	H2417 S2418	T702-H2417 CarbonylContact O-C 3.04Å; T702-H2417 VanDerWaalsContact OG1-CA 3.31Å; T702-H2417 WeakPolarHBondContact OG1-CA 3.13Å; T702-H2417 WeakPolarHBondContact OG1-CB 3.44Å; T702-H2417 PolarHBondContact OG1-N 2.82Å; T702-S2418 PolarHBondContact O-N 2.84Å
703	N	32.6	Very low	30.8	Very low	33 Å²	33	102.7 Å²	102.7	18%	0.176	59%	0.587	C	S	.	*			cis	-168.8	161	-34.8	-32.4	-91.9	0	0	0	109	N701 N2415 H2417 S2418 N2419 N2420	N701-N703 PolarHBondContact ND2-OD1 2.71Å; N701-N703 VanDerWaalsContact ND2-OD1 3.12Å; N703-N2415 PolarHBondContact ND2-O 2.91Å; N703-H2417 PolarHBondContact N-O 2.98Å; N703-H2417 PolarHBondContact ND2-O 3.27Å; N703-S2418 CarbonylContact C-O 3.53Å; N703-S2418 PolarHBondContact N-O 2.76Å; N703-S2418 CarbonylContact O-C 3.06Å; N703-S2418 WeakPolarHBondContact O-CA 3.03Å; N703-N2419 PolarHBondContact O-N 2.92Å; N703-N2420 PolarHBondContact O-N 2.73Å
704	I	32.2	Very low	30.9	Very low	44 Å²	44	103.4 Å²	103.4	23%	0.226	58%	0.576	C	S	.	*			trans	78.8	139	152.5	-1.2	90.7	0	0	0	125.6	N2419 N2420 Q2421 L2422	I704-N2419 CarbonylContact O-C 3.29Å; I704-N2419 VanDerWaalsContact O-C 3.24Å; I704-N2419 PolarHBondContact O-N 2.92Å; I704-N2420 HydrophobicContact CD1-CB 4.48Å; I704-N2420 WeakPolarHBondContact CD1-OD1 2.97Å; I704-N2420 PolarHBondContact O-N 2.74Å; I704-N2420 VanDerWaalsContact O-N 3.12Å; I704-Q2421 HydrophobicContact CD1-CB 3.78Å; I704-Q2421 HydrophobicContact CD1-CG 3.71Å; I704-Q2421 HydrophobicContact CG1-CB 4.32Å; I704-Q2421 HydrophobicContact CG1-CG 4.28Å; I704-L2422 HydrophobicContact CB-CD1 4.28Å; I704-L2422 HydrophobicContact CD1-CD1 4.15Å; I704-L2422 HydrophobicContact CG1-CD1 3.28Å; I704-L2422 HydrophobicContact CG1-CG 4.46Å; I704-L2422 HydrophobicContact CG2-CD1 3.88Å; I704-L2422 HydrophobicContact CG2-CG 4.45Å
705	L	32.8	Very low	31	Very low	96 Å²	96	103.9 Å²	103.9	50%	0.503	57%	0.574	S	S	.	*			trans	100.1	41.7	133.8	-96.2	-140.1	0	0	0	122.5	N2420 Q2421	L705-N2420 VanDerWaalsContact CB-O 3.23Å; L705-N2420 WeakPolarHBondContact CB-O 3.25Å; L705-Q2421 WeakPolarHBondContact CD1-O 3.39Å; L705-Q2421 VanDerWaalsContact CG-O 3.23Å; L705-Q2421 WeakPolarHBondContact CG-O 3.49Å
706	S	30.8	Very low	31.1	Very low	78 Å²	78	108.2 Å²	108.2	55%	0.545	58%	0.584	S	S	.	*				35	122.5	94.9	-44.2	0	0	0	0	120.5
707	N	29.8	Very low	30.9	Very low	133 Å²	133	107 Å²	107	71%	0.711	59%	0.585	S	S	*	*				81	147.1	121.2	-65.3	37.4	0	0	0	119.8
708	D	27.1	Very low	30.6	Very low	122 Å²	122	108.6 Å²	108.6	65%	0.652	59%	0.593	S	S	*	*			cis	-150	168.7	1.5	-127.3	-26.8	0	0	0	118.8
709	L	29.9	Very low	30.2	Very low	141 Å²	141	108.7 Å²	108.7	74%	0.738	59%	0.593	S	S	*	*			trans	-46	145.1	167.3	-76.1	153.7	0	0	0	117.2
710	S	30	Very low	29.7	Very low	101 Å²	101	111.4 Å²	111.4	71%	0.706	60%	0.599	S	S	*	*			trans	76.4	160.3	133.5	79	0	0	0	0	119.4
711	T	31.3	Very low	29.4	Very low	103 Å²	103	114.1 Å²	114.1	63%	0.632	61%	0.607	S	S	*	*			cis	-148.8	154.7	-1.1	-12.9	0	0	0	0	111
712	D	29	Very low	29.2	Very low	117 Å²	117	114.2 Å²	114.2	63%	0.626	61%	0.614	S	S	*	*			trans	29.5	147.2	134.6	-74.6	31	0	0	0	123.2
713	N	30.1	Very low	28.8	Very low	94 Å²	94	115.7 Å²	115.7	50%	0.503	63%	0.626	S	S	.	*			cis	-168	131.3	-16.5	-126.3	-44.6	0	0	0	109.1
714	R	30.7	Very low	28.6	Very low	131 Å²	131	124.4 Å²	124.4	49%	0.494	66%	0.658	S	S	.	*			trans	62.9	156.1	148	-68.1	160.3	179	-114.6	-8.2	120	E283 N284	E283-R714 VanDerWaalsContact CD-NH2 3.29Å; E283-R714 IonicContact OE1-CZ 2.73Å; E283-R714 IonicContact OE1-NH1 2.96Å; E283-R714 PolarHBondContact OE1-NH1 3.35Å; E283-R714 IonicContact OE1-NH2 3.01Å; E283-R714 PolarHBondContact OE1-NH2 2.98Å; E283-R714 IonicContact OE2-CZ 2.66Å; E283-R714 IonicContact OE2-NE 3.77Å; E283-R714 PolarHBondContact OE2-NE 3.29Å; E283-R714 IonicContact OE2-NH1 2.74Å; E283-R714 PolarHBondContact OE2-NH1 3.2Å; E283-R714 IonicContact OE2-NH2 3.32Å; E283-R714 PolarHBondContact OE2-NH2 2.77Å; N284-R714 PolarHBondContact ND2-NH2 2.77Å
715	N	28.2	Very low	28.5	Very low	131 Å²	131	128.5 Å²	128.5	70%	0.701	68%	0.68	S	S	*	*			cis	-158.4	123.3	-13.8	-118.7	-19	0	0	0	109.7
716	K	29.7	Very low	28.4	Very low	201 Å²	201	127.9 Å²	127.9	87%	0.874	68%	0.678	S	S	*	*			trans	-173.4	122.2	151.9	-113.7	165.4	-174	172.6	0	115.5
717	S	25.6	Very low	28.5	Very low	93 Å²	93	127.9 Å²	127.9	65%	0.65	67%	0.671	S	S	*	*			trans	47.7	117.2	143.2	60.7	0	0	0	0	122.6
718	L	24.8	Very low	28.7	Very low	153 Å²	153	122 Å²	122	80%	0.801	64%	0.641	S	S	*	*			trans	66.1	105.7	138.4	-58.1	167.9	0	0	0	117.4
719	N	25.9	Very low	29.1	Very low	131 Å²	131	120.1 Å²	120.1	70%	0.701	63%	0.631	S	S	*	*				-160.5	155.9	57.8	-88.4	-87.4	0	0	0	113.1
720	K	26.2	Very low	29.3	Very low	175 Å²	175	116.8 Å²	116.8	76%	0.761	62%	0.624	S	S	*	*			trans	31.3	131.7	149	-59.3	177.9	-174.9	176.9	0	118.9
721	L	26.6	Very low	29.5	Very low	136 Å²	136	118.6 Å²	118.6	71%	0.712	63%	0.625	S	S	*	*			cis	-172.2	149.2	-3.2	-121	164.6	0	0	0	105.6
722	P	27.8	Very low	29.6	Very low	122 Å²	122	119.7 Å²	119.7	79%	0.792	63%	0.628	S	S	*	*				-137	140.2	127.6	15.8	5	0	0	0	113.9
723	C	23.7	Very low	29.8	Very low	95 Å²	95	119.1 Å²	119.1	64%	0.642	63%	0.628	S	S	*	*			trans	-91.4	161.1	140	-48.5	0	0	0	0	106
724	Y	28.9	Very low	29.9	Very low	215 Å²	215	118.5 Å²	118.5	84%	0.843	63%	0.631	S	S	*	*			cis	-122.6	-163.9	14.8	-98.3	-99.7	0	0	0	110.5
725	N	28.6	Very low	29.9	Very low	130 Å²	130	117.1 Å²	117.1	70%	0.695	63%	0.631	S	S	*	*				-164.2	164	110.1	-115.9	41.9	0	0	0	114.7
726	N	32.1	Very low	30.1	Very low	84 Å²	84	115.4 Å²	115.4	45%	0.449	62%	0.622	S	S	.	*			trans	78	144.8	152.4	-66.6	20.4	0	0	0	120.6
727	D	33.4	Very low	30.3	Very low	78 Å²	78	109.3 Å²	109.3	42%	0.417	61%	0.609	S	S	.	*			cis	-163.9	169.2	-20.1	-108.5	-14.7	0	0	0	111	N299 Q300	N299-D727 CarbonylContact C-O 3.15Å; Q300-D727 WeakPolarHBondContact CA-O 3.14Å; Q300-D727 VanDerWaalsContact CG-C 3.47Å; Q300-D727 PolarHBondContact NE2-OD1 3.48Å
728	A	34.1	Very low	30.7	Very low	8 Å²	8	108.3 Å²	108.3	7%	0.066	60%	0.599	C	S	.	*			cis	-153.6	153.1	15.9	0	0	0	0	0	114	M298 N299 Q300	M298-A728 HydrophobicContact CG-CB 4.18Å; N299-A728 VanDerWaalsContact C-N 3.27Å; N299-A728 CarbonylContact C-O 3.46Å; N299-A728 WeakPolarHBondContact CA-O 3.48Å; N299-A728 WeakPolarHBondContact CB-O 3.17Å; N299-A728 PolarHBondContact OD1-O 2.94Å; Q300-A728 VanDerWaalsContact CB-N 3.35Å; Q300-A728 VanDerWaalsContact CB-O 3.27Å; Q300-A728 WeakPolarHBondContact CB-O 3.46Å; Q300-A728 VanDerWaalsContact CG-N 3.31Å; Q300-A728 PolarHBondContact N-O 2.91Å
729	D	34.3	Very low	31.2	Very low	84 Å²	84	104.6 Å²	104.6	45%	0.449	58%	0.58	S	S	.	*				60.9	169	126.9	-54.9	-8.5	0	0	0	121.8	M298 N299	M298-D729 HydrophobicContact CE-CB 3.85Å; M298-D729 WeakPolarHBondContact CE-OD2 2.94Å; M298-D729 HydrophobicContact CG-CB 4.46Å; N299-D729 PolarHBondContact ND2-O 3.48Å
730	A	34.3	Very low	31.5	Very low	71 Å²	71	101.6 Å²	101.6	59%	0.587	56%	0.564	S	S	*	*			cis	176.4	173.5	-25.7	0	0	0	0	0	105.6
731	N	34.4	Very low	32	Very low	138 Å²	138	100 Å²	100	74%	0.738	56%	0.559	S	S	*	*			cis	-160.4	-157.9	-16.8	-114.8	33.7	0	0	0	104.7
732	D	33.2	Very low	32.4	Very low	127 Å²	127	96.7 Å²	96.7	68%	0.679	54%	0.542	S	S	*	.			cis	-166.3	174.2	-3.5	-124.8	-47.3	0	0	0	105.5
733	T	33.5	Very low	32.7	Very low	105 Å²	105	95 Å²	95	64%	0.644	53%	0.526	S	S	*	.			cis	-119.9	-134.7	-7	43.3	0	0	0	0	108.3
734	C	31.9	Very low	33.2	Very low	81 Å²	81	98 Å²	98	55%	0.547	53%	0.53	S	S	.	.			cis	-156.2	156.9	-0.9	-119.3	0	0	0	0	105.5
735	M	31.6	Very low	33.3	Very low	101 Å²	101	91.8 Å²	91.8	50%	0.498	51%	0.509	S	S	.	.			cis	75	128.7	39.6	-54.8	-57.5	175.7	0	0	114.6	E1565	M735-E1565 WeakPolarHBondContact CE-OE2 3.2Å
736	D	31.2	Very low	33.5	Very low	96 Å²	96	88.5 Å²	88.5	51%	0.513	51%	0.506	S	S	.	.			cis	-147.1	161	19.3	-92	-49.4	0	0	0	114.5	S1568	D736-S1568 WeakPolarHBondContact OD2-CA 2.75Å
737	A	34	Very low	33.4	Very low	73 Å²	73	89 Å²	89	60%	0.603	51%	0.512	S	S	*	.			trans	64.9	153.6	144.9	0	0	0	0	0	121
738	T	34.1	Very low	33.2	Very low	72 Å²	72	90.4 Å²	90.4	44%	0.442	52%	0.519	S	S	.	.			cis	-166.8	-170.5	-9.4	31.3	0	0	0	0	106.4	S2382 Q2384	T738-S2382 WeakPolarHBondContact O-CB 3.4Å; T738-Q2384 HydrophobicContact CG2-CB 4.05Å; T738-Q2384 VanDerWaalsContact CG2-OE1 3.29Å
739	N	35.8	Very low	32.9	Very low	75 Å²	75	96.4 Å²	96.4	40%	0.401	54%	0.54	S	S	.	.			cis	-168.7	163.6	-9.6	-115.1	38.2	0	0	0	105.6	Q2384 T2385	N739-Q2384 VanDerWaalsContact CA-O 3.27Å; N739-Q2384 WeakPolarHBondContact CA-O 2.96Å; N739-Q2384 PolarHBondContact ND2-O 3.21Å; N739-Q2384 WeakPolarHBondContact OD1-CB 3.3Å; N739-Q2384 PolarHBondContact OD1-O 3.35Å; N739-T2385 PolarHBondContact ND2-O 2.89Å; N739-T2385 PolarHBondContact OD1-O 3.16Å; N739-T2385 PolarHBondContact OD1-OG1 3.41Å
740	N	32.3	Very low	32.7	Very low	68 Å²	68	100 Å²	100	36%	0.364	55%	0.551	S	S	.	*			cis	-167.7	173.7	-14.1	-163.1	5.6	0	0	0	110.1	Q2384	N740-Q2384 VanDerWaalsContact CA-O 3.23Å; N740-Q2384 WeakPolarHBondContact CA-O 3.48Å; N740-Q2384 WeakPolarHBondContact CB-O 3.35Å; N740-Q2384 PolarHBondContact OD1-O 3.05Å
741	E	36.1	Very low	32.4	Very low	141 Å²	141	103.6 Å²	103.6	66%	0.659	56%	0.559	S	S	*	*			trans	73	105.7	152.7	-57.7	-140.4	-165.1	0	0	126.1
742	N	34.5	Very low	32.2	Very low	67 Å²	67	104.2 Å²	104.2	36%	0.358	56%	0.561	S	S	.	*				88.1	112.7	105.4	-60.4	-10.5	0	0	0	127.9	N2415 L2416	N742-N2415 VanDerWaalsContact CG-OD1 3.26Å; N742-N2415 PolarHBondContact ND2-ND2 3.41Å; N742-N2415 VanDerWaalsContact ND2-ND2 3.18Å; N742-N2415 PolarHBondContact ND2-OD1 3.43Å; N742-N2415 PolarHBondContact OD1-OD1 2.8Å; N742-L2416 VanDerWaalsContact OD1-CD1 3.32Å; N742-L2416 WeakPolarHBondContact OD1-CD1 3.17Å
743	I	34.2	Very low	32.5	Very low	86 Å²	86	103.4 Å²	103.4	44%	0.441	56%	0.563	S	S	.	*				61.3	125.8	129.8	-41.4	162.5	0	0	0	125	N2414 N2415	I743-N2414 VanDerWaalsContact CD1-O 3.28Å; I743-N2414 WeakPolarHBondContact CD1-O 3.09Å; I743-N2414 WeakPolarHBondContact CG1-O 2.95Å; I743-N2415 HydrophobicContact CD1-CB 3.78Å
744	Q	34.3	Very low	32.1	Very low	158 Å²	158	103.4 Å²	103.4	74%	0.738	57%	0.567	S	S	*	*				179.6	170.5	121.7	-96.4	-68.1	-13.8	0	0	113.1
745	Q	31.1	Very low	31.8	Very low	84 Å²	84	105.5 Å²	105.5	39%	0.393	58%	0.577	S	S	.	*			trans	-132.8	153.2	-163.6	-46.6	-177.7	-13	0	0	120	K2412 M2413	Q745-K2412 HydrophobicContact CB-CD 4.03Å; Q745-K2412 HydrophobicContact CG-CB 4.45Å; Q745-K2412 HydrophobicContact CG-CD 4.07Å; Q745-K2412 PolarHBondContact O-NZ 2.79Å; Q745-K2412 VanDerWaalsContact OE1-CD 3.26Å; Q745-K2412 VanDerWaalsContact OE1-CG 3.3Å; Q745-M2413 PolarHBondContact NE2-O 3.13Å
746	G	33.6	Very low	31.8	Very low	62 Å²	62	105 Å²	105	64%	0.639	58%	0.582	S	S	*	*			trans	-156.9	157.7	155.6	0	0	0	0	0	112.5
747	V	29.2	Very low	31.6	Very low	94 Å²	94	104 Å²	104	57%	0.57	58%	0.582	S	S	*	*			cis	90.1	136.5	16.6	-176.2	0	0	0	0	113.5
748	L	30.4	Very low	31.4	Very low	108 Å²	108	104.2 Å²	104.2	57%	0.565	57%	0.571	S	S	*	*			cis	-152.7	133.6	28.1	-137.8	175.1	0	0	0	115.5	S1600	L748-S1600 VanDerWaalsContact C-OG 3.23Å; L748-S1600 WeakPolarHBondContact CA-OG 3.41Å
749	R	27.4	Very low	31.2	Very low	133 Å²	133	106.6 Å²	106.6	50%	0.502	58%	0.575	S	S	.	*			trans	40	132.2	155.2	-82.7	-178.4	-173.9	-154	3.9	127.4	N1598 M1599 S1600	R749-N1598 PolarHBondContact NE-O 3.4Å; R749-N1598 PolarHBondContact NH2-O 2.8Å; R749-M1599 WeakPolarHBondContact CG-O 3.05Å; R749-S1600 PolarHBondContact N-OG 3.27Å
750	K	29.4	Very low	31.2	Very low	159 Å²	159	108.4 Å²	108.4	69%	0.691	58%	0.581	S	S	*	*				73	136.6	126.1	-80.7	-172.3	168.6	-165.9	0	126.5
751	I	28.1	Very low	31.2	Very low	147 Å²	147	113.8 Å²	113.8	75%	0.754	60%	0.601	S	S	*	*			trans	88.2	163	138.2	-73.3	173.5	0	0	0	120.1
752	I	29.6	Very low	31.1	Very low	151 Å²	151	111.1 Å²	111.1	77%	0.774	60%	0.598	S	S	*	*			trans	-104	-178.6	-156.3	-20.1	178.4	0	0	0	111.4
753	P	39.8	Very low	30.9	Very low	111 Å²	111	112.1 Å²	112.1	72%	0.721	61%	0.611	S	S	*	*				-113.3	154.4	-99.6	38.5	-24.9	0	0	0	115.9
754	S	24.7	Very low	30.8	Very low	105 Å²	105	116.6 Å²	116.6	73%	0.734	63%	0.627	S	S	*	*			trans	172.3	127.9	133.6	41.7	0	0	0	0	115.9
755	T	26.9	Very low	30.5	Very low	125 Å²	125	114.4 Å²	114.4	77%	0.767	63%	0.625	S	S	*	*			trans	64.4	-172.7	151.1	68.1	0	0	0	0	116.8
756	P	30.8	Very low	30.4	Very low	91 Å²	91	120.4 Å²	120.4	59%	0.591	65%	0.645	S	S	*	*				-138.1	179	-105.2	40.1	-18.9	0	0	0	118.9
757	S	27.8	Very low	29.9	Very low	74 Å²	74	123.8 Å²	123.8	52%	0.517	65%	0.648	S	S	.	*			trans	61.9	142.6	151.7	61.1	0	0	0	0	122.3	L2362	S757-L2362 WeakPolarHBondContact O-CD1 3.32Å
758	H	30.1	Very low	29.8	Very low	78 Å²	78	126.8 Å²	126.8	36%	0.361	66%	0.656	S	S	.	*			cis	-158.6	146.7	-27.5	177.6	-86.9	0	0	0	108.1	S2361 L2362 A2363	H758-S2361 WeakPolarHBondContact O-CB 3.49Å; H758-S2361 PolarHBondContact O-OG 2.68Å; H758-L2362 VanDerWaalsContact C-N 3.33Å; H758-L2362 CarbonylContact C-O 3.2Å; H758-L2362 VanDerWaalsContact CA-C 3.47Å; H758-L2362 VanDerWaalsContact CA-N 3.34Å; H758-L2362 WeakPolarHBondContact CA-O 3.35Å; H758-A2363 PolarHBondContact CD2-O 3.06Å
759	F	30.2	Very low	29.6	Very low	122 Å²	122	130 Å²	130	54%	0.535	67%	0.673	S	S	.	*			trans	97	88.9	178.9	-55.3	-72.2	0	0	0	116.6	S2361 L2362	F759-S2361 CarbonylContact C-O 3.16Å; F759-S2361 CarbonylContact O-C 3.24Å; F759-S2361 VanDerWaalsContact O-C 3.29Å; F759-S2361 PolarHBondContact O-N 3.11Å; F759-L2362 PolarHBondContact N-O 3.22Å
760	Q	34.3	Very low	29.5	Very low	112 Å²	112	129 Å²	129	52%	0.523	68%	0.682	S	S	.	*				83.9	169.5	92.1	-74.8	169.8	6.4	0	0	114.6	S2361	Q760-S2361 PolarHBondContact N-O 3.21Å
761	F	33.1	Very low	29.3	Very low	181 Å²	181	128.1 Å²	128.1	79%	0.794	68%	0.68	S	S	*	*			cis	-150.7	166.7	22.4	-104.9	-60	0	0	0	109.7
762	S	34.3	Very low	29.1	Very low	85 Å²	85	126.5 Å²	126.5	59%	0.594	67%	0.673	S	S	*	*			cis	-152.9	153.6	-1.9	75.2	0	0	0	0	112.2
763	S	30.1	Very low	28.9	Very low	88 Å²	88	126.1 Å²	126.1	62%	0.615	67%	0.673	S	S	*	*			trans	42.3	144.7	130.5	90.1	0	0	0	0	121.5
764	K	32.6	Very low	28.3	Very low	180 Å²	180	125.8 Å²	125.8	78%	0.783	67%	0.673	S	S	*	*			cis	-152.3	159.4	31.8	-122	133.4	-171	175.2	0	112.5
765	T	27.2	Very low	28.4	Very low	113 Å²	113	125.4 Å²	125.4	69%	0.693	67%	0.671	S	S	*	*			trans	-6.2	155	147.4	59.7	0	0	0	0	118.9
766	Y	28.3	Very low	28.4	Very low	210 Å²	210	126.8 Å²	126.8	82%	0.824	67%	0.673	S	S	*	*			cis	-158.2	165.2	43.8	-143.9	-86.5	0	0	0	111.9
767	N	24.2	Very low	28.2	Very low	132 Å²	132	131.8 Å²	131.8	71%	0.706	69%	0.685	S	S	*	*			trans	-113.8	129.9	169.5	-171.2	3.3	0	0	0	109.5
768	Q	26.4	Very low	28.4	Very low	158 Å²	158	133.1 Å²	133.1	74%	0.738	69%	0.693	S	S	*	*			trans	72.2	101.2	-175.1	-49.8	175.6	5.4	0	0	115.8
769	L	26.8	Very low	28.3	Very low	174 Å²	174	136.4 Å²	136.4	91%	0.911	71%	0.711	S	S	*	*				-166.7	165.6	108.6	-103.9	167.7	0	0	0	111.1
770	T	24.9	Very low	28.3	Very low	114 Å²	114	134.6 Å²	134.6	70%	0.699	71%	0.71	S	S	*	*			trans	-100.2	155.3	-174	47.4	0	0	0	0	113.3
771	Q	25	Very low	28	Very low	139 Å²	139	133.2 Å²	133.2	65%	0.65	72%	0.718	S	S	*	*			trans	79.7	133.7	157.4	-76.3	-179.2	-1.1	0	0	120.9
772	N	24.7	Very low	27.9	Very low	114 Å²	114	128.9 Å²	128.9	61%	0.61	71%	0.706	S	S	*	*			trans	78.7	107.5	142.5	-59.8	-5.1	0	0	0	121.9
773	N	24.8	Very low	27.6	Very low	143 Å²	143	129.2 Å²	129.2	77%	0.765	70%	0.702	S	S	*	*				79.5	148.7	122.3	-64.1	0.7	0	0	0	122.9
774	S	26.3	Very low	27.7	Very low	103 Å²	103	132.5 Å²	132.5	72%	0.72	71%	0.712	S	S	*	*			trans	66.2	91	152.2	46.6	0	0	0	0	119.2
775	S	27	Very low	27.7	Very low	98 Å²	98	126.2 Å²	126.2	69%	0.685	70%	0.698	S	S	*	*				48.4	140.8	112.6	67.6	0	0	0	0	121.8
776	N	27.2	Very low	28	Very low	153 Å²	153	127 Å²	127	82%	0.818	70%	0.698	S	S	*	*			trans	71.7	107.8	154.9	-65.3	-23.7	0	0	0	119.2
777	K	27.9	Very low	28.2	Very low	196 Å²	196	123.1 Å²	123.1	85%	0.852	69%	0.692	S	S	*	*				-11.1	156.2	127.4	-79.2	179.5	179.4	175.7	0	116.4
778	P	31.7	Very low	28.8	Very low	103 Å²	103	122 Å²	122	67%	0.669	69%	0.689	S	S	*	*			cis	-147.2	-162.8	-15.5	37.2	-14.4	0	0	0	114.9
779	I	26.5	Very low	29.1	Very low	146 Å²	146	120.8 Å²	120.8	75%	0.749	69%	0.688	S	S	*	*			trans	87	134.3	142	-89	172.7	0	0	0	120.8
780	T	30.2	Very low	29.3	Very low	84 Å²	84	119.5 Å²	119.5	52%	0.515	68%	0.682	S	S	.	*			trans	45.3	93.5	163.4	54.3	0	0	0	0	122.1
781	A	28.5	Very low	29.6	Very low	84 Å²	84	117.4 Å²	117.4	69%	0.694	68%	0.683	S	S	*	*				52.8	154.2	93	0	0	0	0	0	123.1
782	V	31.4	Very low	29.8	Very low	90 Å²	90	114.6 Å²	114.6	55%	0.545	69%	0.691	S	S	.	*			trans	78.4	95.3	166.3	-164.9	0	0	0	0	117
783	N	27.7	Very low	30.1	Very low	92 Å²	92	116.3 Å²	116.3	49%	0.492	70%	0.7	S	S	.	*			trans	-133	119.4	145.4	-138.2	8.7	0	0	0	107.1	N2343 T2344	N783-N2343 PolarHBondContact ND2-OD1 2.97Å; N783-N2343 PolarHBondContact OD1-OD1 3.45Å; N783-T2344 WeakPolarHBondContact OD1-CG2 3.45Å; N783-T2344 PolarHBondContact OD1-N 2.92Å
784	N	31.7	Very low	30.3	Very low	157 Å²	157	117.5 Å²	117.5	84%	0.84	70%	0.703	S	S	*	*			trans	-163.2	145	173.6	-112.5	-1.7	0	0	0	108.7
785	G	33.1	Very low	30.4	Very low	47 Å²	47	116.3 Å²	116.3	49%	0.485	70%	0.695	S	S	.	*			trans	105.4	114.4	-175.8	0	0	0	0	0	114.2
786	N	33.3	Very low	30.6	Very low	130 Å²	130	115.1 Å²	115.1	70%	0.695	69%	0.687	S	S	*	*			cis	-164.5	152.3	-29.1	-119.7	33.6	0	0	0	110.1
787	D	32.3	Very low	30.8	Very low	129 Å²	129	109 Å²	109	69%	0.69	66%	0.656	S	S	*	*				31.2	139.6	122.3	-59.5	-11.7	0	0	0	119.3
788	V	37.1	Very low	30.9	Very low	107 Å²	107	106.8 Å²	106.8	65%	0.648	65%	0.647	S	S	*	*			cis	-173.7	151.1	16.5	97.8	0	0	0	0	114.4
789	N	33.1	Very low	30.8	Very low	133 Å²	133	107.8 Å²	107.8	71%	0.711	65%	0.651	S	S	*	*			trans	62.4	165.3	151.4	-66.1	-12	0	0	0	120.6
790	N	31.8	Very low	31	Very low	148 Å²	148	108 Å²	108	79%	0.791	65%	0.653	S	S	*	*			cis	-154.4	164.8	8.1	-140.4	-16.2	0	0	0	114.8
791	G	30.4	Very low	31	Very low	70 Å²	70	109.1 Å²	109.1	72%	0.722	66%	0.662	S	S	*	*			trans	90.3	107.9	146.1	0	0	0	0	0	118.5
792	G	29.8	Very low	31	Very low	79 Å²	79	109.9 Å²	109.9	81%	0.814	65%	0.654	S	S	*	*			trans	-111.8	-169.1	170.3	0	0	0	0	0	113.4
793	N	30.1	Very low	30.7	Very low	151 Å²	151	112 Å²	112	81%	0.807	66%	0.658	S	S	*	*			trans	-151.8	164.7	161.4	-140.2	-22.8	0	0	0	112.8
794	M	28.5	Very low	30.9	Very low	168 Å²	168	118.8 Å²	118.8	83%	0.828	68%	0.677	S	S	*	*			trans	-88.9	177.2	-166.5	-56	-169.4	167.2	0	0	113.2
795	S	29.8	Very low	30.8	Very low	78 Å²	78	114.9 Å²	114.9	55%	0.545	66%	0.66	S	S	.	*			cis	-176.7	122.5	37.7	38.7	0	0	0	0	116.6	S2332 E2333	S795-S2332 CarbonylContact O-C 3.5Å; S795-E2333 VanDerWaalsContact C-N 3.29Å; S795-E2333 CarbonylContact C-O 3.2Å; S795-E2333 PolarHBondContact N-O 3.49Å; S795-E2333 PolarHBondContact O-N 3.21Å
796	S	31.6	Very low	30.4	Very low	73 Å²	73	120.1 Å²	120.1	51%	0.51	67%	0.67	S	S	.	*			trans	108.9	-131.4	154.8	124.3	0	0	0	0	122.1	S2332 E2333 L2334	S796-S2332 WeakPolarHBondContact CB-O 3.23Å; S796-S2332 PolarHBondContact OG-N 3.47Å; S796-S2332 PolarHBondContact OG-O 3.27Å; S796-E2333 VanDerWaalsContact C-C 3.49Å; S796-E2333 VanDerWaalsContact C-N 3.27Å; S796-E2333 PolarHBondContact N-O 3.27Å; S796-E2333 CarbonylContact O-C 3.19Å; S796-L2334 PolarHBondContact O-N 3.41Å
797	S	31.3	Very low	30.2	Very low	25 Å²	25	121.2 Å²	121.2	18%	0.175	67%	0.671	C	S	.	*			trans	-146.5	162.8	-139.9	51.2	0	0	0	0	121.8	S2331 S2332 E2333	S797-S2331 WeakPolarHBondContact O-CB 3.34Å; S797-S2331 VanDerWaalsContact OG-CA 3.31Å; S797-S2331 WeakPolarHBondContact OG-CA 3.21Å; S797-S2331 WeakPolarHBondContact OG-CB 3.27Å; S797-S2332 VanDerWaalsContact N-CA 3.29Å; S797-S2332 WeakPolarHBondContact O-CA 3.23Å; S797-S2332 PolarHBondContact O-N 2.53Å; S797-E2333 VanDerWaalsContact N-CA 3.31Å
798	F	28.9	Very low	30.1	Very low	149 Å²	149	118.2 Å²	118.2	65%	0.654	66%	0.66	S	S	*	*			trans	25.2	137.1	151.5	-43.7	-51.3	0	0	0	123.2	S2331	F798-S2331 WeakPolarHBondContact O-CB 2.96Å
799	T	29.3	Very low	29.8	Very low	123 Å²	123	117 Å²	117	76%	0.755	65%	0.649	S	S	*	*			cis	-147	141.6	41.1	29.8	0	0	0	0	116
800	N	30.4	Very low	29.8	Very low	150 Å²	150	113.1 Å²	113.1	80%	0.802	63%	0.631	S	S	*	*			trans	-40.4	156.4	159.3	-78.2	-9	0	0	0	114.5
801	P	31.3	Very low	29.9	Very low	109 Å²	109	109.2 Å²	109.2	71%	0.708	61%	0.613	S	S	*	*			cis	-154.7	-176.3	47.9	46	-26.1	0	0	0	119.9
802	L	27.8	Very low	30.2	Very low	99 Å²	99	108.7 Å²	108.7	52%	0.518	60%	0.596	S	S	.	*			trans	75.4	106.8	158.5	-71.5	166.5	0	0	0	119.9
803	H	26.3	Very low	30.2	Very low	135 Å²	135	110 Å²	110	63%	0.625	58%	0.584	S	S	*	*			trans	53.6	99	130.3	-101.2	-82.3	0	0	0	120.5
804	W	32.2	Very low	30.1	Very low	234 Å²	234	110 Å²	110	89%	0.886	57%	0.574	S	S	*	*				21.9	133.7	107.4	-63.9	65.2	0	0	0	116.7
805	P	27.8	Very low	30.1	Very low	76 Å²	76	104.9 Å²	104.9	49%	0.494	55%	0.554	S	S	.	*				-150.1	-168.5	58.7	29.1	-3.3	0	0	0	116.8	F819	P805-F819 HydrophobicContact CG-CZ 4.26Å
806	F	25.4	Very low	30.2	Very low	156 Å²	156	108.4 Å²	108.4	68%	0.684	56%	0.562	S	S	*	*			trans	69.6	144.4	171.7	-54.4	-72.1	0	0	0	115.7
807	E	28.5	Very low	29.9	Very low	154 Å²	154	110.8 Å²	110.8	72%	0.72	57%	0.573	S	S	*	*			cis	-160.2	-177.2	-3.7	-129.5	171.6	-97.8	0	0	108.2	I809	E807-I809 HydrophobicContact CG-CD1 4.36Å
808	S	31.3	Very low	29.7	Very low	66 Å²	66	119.5 Å²	119.5	46%	0.462	60%	0.602	S	S	.	*			cis	-152.3	159.9	-0.3	46.9	0	0	0	0	107.4
809	I	30.4	Very low	29.7	Very low	81 Å²	81	119.4 Å²	119.4	42%	0.415	60%	0.602	S	S	.	*			cis	78.5	126.1	28.9	-45.1	169	0	0	0	112.4	E807 T811	E807-I809 HydrophobicContact CG-CD1 4.36Å; I809-T811 HydrophobicContact CG2-CG2 3.42Å; I809-T811 VanDerWaalsContact CG2-CG2 3.42Å; I809-T811 VanDerWaalsContact CG2-N 3.28Å
810	P	33.3	Very low	29.5	Very low	52 Å²	52	118.8 Å²	118.8	34%	0.338	59%	0.594	S	S	.	*				-104.2	139.7	89.3	31.6	-36.7	0	0	0	111.4	V2304 N2306	P810-V2304 WeakPolarHBondContact O-CG1 3.44Å; P810-N2306 PolarHBondContact O-N 3.25Å
811	T	33	Very low	29.3	Very low	66 Å²	66	115.7 Å²	115.7	41%	0.405	58%	0.577	S	S	.	*			cis	82.2	146.5	43.2	69	0	0	0	0	115.6	I809 D2281	I809-T811 HydrophobicContact CG2-CG2 3.42Å; I809-T811 VanDerWaalsContact CG2-CG2 3.42Å; I809-T811 VanDerWaalsContact CG2-N 3.28Å; T811-D2281 VanDerWaalsContact CA-O 3.23Å; T811-D2281 WeakPolarHBondContact CA-O 3.39Å; T811-D2281 WeakPolarHBondContact CG2-O 3.43Å
812	P	38.1	Very low	29.1	Very low	58 Å²	58	116.1 Å²	116.1	38%	0.377	57%	0.574	S	S	.	*			cis	-133.4	167.3	9.2	35.9	-15.1	0	0	0	119.4	T2280	P812-T2280 WeakPolarHBondContact O-CB 3.46Å; P812-T2280 PolarHBondContact O-OG1 2.89Å
813	D	28.7	Very low	29.1	Very low	106 Å²	106	117.1 Å²	117.1	57%	0.567	58%	0.58	S	S	*	*	S	Bend	trans	136.9	67.7	167.7	69.2	-91.6	0	0	0	122.7	D2281 D2282	D813-D2281 VanDerWaalsContact N-C 3.27Å; D813-D2282 VanDerWaalsContact N-N 3.16Å
814	W	29.2	Very low	29.1	Very low	153 Å²	153	117.2 Å²	117.2	58%	0.58	59%	0.585	S	S	*	*			trans	53.6	136.7	176.3	-70.3	-34.1	0	0	0	120.4	D2281 D2282 Y2284	W814-D2281 WeakPolarHBondContact O-CB 3.47Å; W814-D2282 WeakPolarHBondContact CA-OD2 3.41Å; W814-D2282 PolarHBondContact N-OD2 3.01Å; W814-Y2284 AromaticContact NE1-CD2 3.49Å; W814-Y2284 AromaticContact NE1-CE2 3.4Å
815	S	28.4	Very low	28.7	Very low	60 Å²	60	112.8 Å²	112.8	42%	0.42	58%	0.579	S	S	.	*			cis	84.1	144.3	28.5	106.9	0	0	0	0	117.1	D2282	S815-D2282 WeakPolarHBondContact CB-OD1 3.36Å
816	H	30.2	Very low	28.6	Very low	152 Å²	152	117 Å²	117	70%	0.704	60%	0.597	S	S	*	*			cis	-152.7	156.9	11.2	-138.9	-73.3	0	0	0	111.8
817	T	26.7	Very low	28.6	Very low	123 Å²	123	115.4 Å²	115.4	76%	0.755	60%	0.6	S	S	*	*			trans	-128.1	178.1	160	59.4	0	0	0	0	110.2
818	W	27.5	Very low	28.6	Very low	207 Å²	207	115.1 Å²	115.1	78%	0.784	60%	0.604	S	S	*	*			trans	174.8	149.9	156.5	-102.7	38.5	0	0	0	109.4
819	F	28.7	Very low	28.4	Very low	147 Å²	147	116.3 Å²	116.3	65%	0.645	61%	0.612	S	S	*	*			cis	-154.7	-172	-20.3	-144.7	-102.7	0	0	0	110	P805	P805-F819 HydrophobicContact CG-CZ 4.26Å
820	N	24.8	Very low	28.1	Very low	111 Å²	111	118.6 Å²	118.6	59%	0.594	63%	0.63	S	S	*	*			trans	-137.3	171.8	-165.1	-168.3	17.6	0	0	0	114.5
821	N	25.7	Very low	27.7	Very low	84 Å²	84	123.5 Å²	123.5	45%	0.449	65%	0.652	S	S	.	*			trans	83.5	156.7	154	-74.1	-31.5	0	0	0	123.5
822	N	28	Very low	27.3	Very low	118 Å²	118	130.4 Å²	130.4	63%	0.631	67%	0.67	S	S	*	*			trans	102.3	105	150.5	-71.6	-18.8	0	0	0	122.6
823	N	27.2	Very low	26.7	Very low	121 Å²	121	136.5 Å²	136.5	65%	0.647	69%	0.691	S	S	*	*				57.6	121.1	123.3	-66.4	-21.7	0	0	0	123.2
824	N	25.3	Very low	26.5	Very low	137 Å²	137	138.6 Å²	138.6	73%	0.733	70%	0.698	S	S	*	*				31.9	121	129.9	-72.1	-11.3	0	0	0	120.6
825	N	25	Very low	26.4	Very low	141 Å²	141	137.6 Å²	137.6	75%	0.754	70%	0.703	S	S	*	*			trans	49.4	106	131.8	-59.2	-5.2	0	0	0	118.3
826	N	25	Very low	26.3	Very low	163 Å²	163	141.4 Å²	141.4	87%	0.872	72%	0.718	S	S	*	*			trans	-122	102.1	138.4	-150.3	-7.5	0	0	0	109.8
827	T	26.3	Very low	26.3	Very low	123 Å²	123	139.3 Å²	139.3	76%	0.755	72%	0.719	S	S	*	*			trans	-135.5	87.1	169.1	56.2	0	0	0	0	110
828	N	27.8	Very low	26.1	Very low	149 Å²	149	140.7 Å²	140.7	80%	0.797	72%	0.721	S	S	*	*			trans	-132.4	105.6	144.1	-115.8	-8.2	0	0	0	109.7
829	S	26.2	Very low	26.2	Very low	90 Å²	90	139.4 Å²	139.4	63%	0.629	72%	0.724	S	S	*	*			trans	27.7	122.6	147.2	57	0	0	0	0	120.6
830	T	25.5	Very low	26.2	Very low	129 Å²	129	136.4 Å²	136.4	79%	0.791	72%	0.718	S	S	*	*			trans	64.7	135.8	153	40.5	0	0	0	0	116.7
831	I	25.5	Very low	26.4	Very low	156 Å²	156	139 Å²	139	80%	0.8	73%	0.73	S	S	*	*			cis	-114.6	154.3	40.8	-75.4	170.1	0	0	0	114.2
832	R	23.6	Very low	26.5	Very low	211 Å²	211	143.2 Å²	143.2	80%	0.796	74%	0.74	S	S	*	*			trans	-80.4	135.4	168.3	-66.6	169.3	168.7	159.3	-7.1	110.5
833	F	25.9	Very low	26.4	Very low	185 Å²	185	148.3 Å²	148.3	81%	0.811	75%	0.75	S	S	*	*				-162.1	116.6	110.8	-88.1	-73.3	0	0	0	105.8
834	Q	24.2	Very low	26.3	Very low	151 Å²	151	150.2 Å²	150.2	71%	0.706	76%	0.76	S	S	*	*				83.4	134.9	64.9	-146.2	-170.5	-6.4	0	0	113.5
835	L	26.7	Very low	26.3	Very low	132 Å²	132	147.4 Å²	147.4	69%	0.691	76%	0.764	S	S	*	*			trans	87.3	108.6	163.4	-55	177.8	0	0	0	121.1
836	N	25.9	Very low	26.3	Very low	139 Å²	139	152.2 Å²	152.2	74%	0.743	77%	0.772	S	S	*	*				82.9	133	129.1	-64	0.6	0	0	0	122.8
837	P	30.1	Very low	26.3	Very low	109 Å²	109	149.9 Å²	149.9	71%	0.708	76%	0.763	S	S	*	*			trans	-90	176.8	156.6	39.1	-33.9	0	0	0	112.1
838	N	24	Very low	26.2	Very low	152 Å²	152	153.6 Å²	153.6	81%	0.813	77%	0.768	S	S	*	*			trans	72.2	142.2	-169.3	-55.6	-27.5	0	0	0	112.5
839	E	29.6	Very low	26.1	Very low	179 Å²	179	153.8 Å²	153.8	84%	0.836	77%	0.768	S	S	*	*			cis	-119.9	177.9	21.1	-84.1	-150.9	98.9	0	0	117.1
840	T	27.5	Very low	26.1	Very low	84 Å²	84	158.1 Å²	158.1	52%	0.515	78%	0.778	S	S	.	*			trans	-99.3	140.2	-173.6	59.1	0	0	0	0	114.9
841	I	29.3	Very low	26.1	Very low	167 Å²	167	160.4 Å²	160.4	86%	0.856	78%	0.78	S	S	*	*			trans	-138.2	100.9	135	-58.7	-174.3	0	0	0	106.4
842	R	27.6	Very low	26.2	Very low	171 Å²	171	160.6 Å²	160.6	65%	0.645	78%	0.781	S	S	*	*				69.9	132.8	83.2	-93.6	-167.8	173.7	-148	3	116	L1512	R842-L1512 VanDerWaalsContact CZ-CD2 3.41Å
843	R	27.1	Very low	26.3	Very low	226 Å²	226	157.3 Å²	157.3	85%	0.853	78%	0.779	S	S	*	*	S	Bend	trans	-11.4	136.4	165.5	-66.9	177.6	175.2	165.3	-3	118.2	G845	R843-G845 PolarHBondContact O-N 3.48Å
844	N	23.8	Very low	26.4	Very low	160 Å²	160	155 Å²	155	86%	0.856	78%	0.775	S	S	*	*			trans	37.8	75.5	135.9	-56.8	20.1	0	0	0	116.9
845	G	26	Very low	26.5	Very low	79 Å²	79	154 Å²	154	81%	0.814	77%	0.774	S	S	*	*			trans	-79.4	130.1	137.5	0	0	0	0	0	108.5	R843	R843-G845 PolarHBondContact O-N 3.48Å
846	R	23.8	Very low	26.4	Very low	242 Å²	242	152.6 Å²	152.6	91%	0.913	78%	0.775	S	S	*	*			trans	-75.1	159.2	167.8	-145.7	179.5	-170.3	172	1.5	108.7
847	V	25.1	Very low	26.7	Very low	114 Å²	114	152.4 Å²	152.4	69%	0.691	78%	0.779	S	S	*	*	S	Bend	trans	-0.5	136.2	151.1	175	0	0	0	0	117.5
848	K	24.9	Very low	26.7	Very low	200 Å²	200	153 Å²	153	87%	0.87	78%	0.781	S	S	*	*			trans	5.7	117.2	152.6	-59.7	177.6	177.5	180	0	117
849	I	26.1	Very low	26.8	Very low	153 Å²	153	152.9 Å²	152.9	79%	0.785	78%	0.779	S	S	*	*			trans	-130.4	143.3	143.5	-49.4	179.5	0	0	0	102.5
850	E	26.2	Very low	26.6	Very low	182 Å²	182	149.1 Å²	149.1	85%	0.85	77%	0.773	S	S	*	*			cis	-105.4	164.9	19.5	-64.8	136.1	-175.2	0	0	112.2
851	Q	24.7	Very low	26.8	Very low	177 Å²	177	154.5 Å²	154.5	83%	0.827	79%	0.789	S	S	*	*			cis	-102.1	178.3	21.7	-66.7	171.8	-35.5	0	0	112.1
852	I	29.2	Very low	26.8	Very low	159 Å²	159	151.8 Å²	151.8	82%	0.815	79%	0.785	S	S	*	*			cis	-135.7	149.9	22.7	-62.8	166.8	0	0	0	112.4
853	D	23.8	Very low	26.9	Very low	142 Å²	142	153 Å²	153	76%	0.759	80%	0.798	S	S	*	*			trans	-27	161.8	164.8	-103.1	-51.5	0	0	0	122
854	L	28.8	Very low	26.8	Very low	138 Å²	138	150.3 Å²	150.3	72%	0.723	80%	0.797	S	S	*	*			trans	83.9	129.4	152.7	-70.4	159.3	0	0	0	122.6
855	N	27.1	Very low	27.1	Very low	130 Å²	130	146.5 Å²	146.5	70%	0.695	78%	0.783	S	S	*	*			trans	75.8	83	141	-63.9	-11	0	0	0	122
856	S	24.3	Very low	27.3	Very low	101 Å²	101	150.2 Å²	150.2	71%	0.706	78%	0.779	S	S	*	*				52.8	129.5	112.7	68.8	0	0	0	0	121.9
857	T	31.4	Very low	27.3	Very low	136 Å²	136	145.6 Å²	145.6	83%	0.834	77%	0.772	S	S	*	*			trans	-155.3	108.8	134	-7.2	0	0	0	0	114.2
858	V	29.5	Very low	27.5	Very low	121 Å²	121	147.1 Å²	147.1	73%	0.733	78%	0.775	S	S	*	*			trans	44.8	96.5	137.8	-172.2	0	0	0	0	119.8
859	L	27.5	Very low	27.8	Very low	149 Å²	149	144.4 Å²	144.4	78%	0.78	77%	0.769	S	S	*	*				49.1	97.9	124.5	-64.7	166.9	0	0	0	120.9
860	S	25.9	Very low	27.8	Very low	101 Å²	101	141 Å²	141	71%	0.706	75%	0.752	S	S	*	*				39.9	130.5	114.8	68.3	0	0	0	0	121.7
861	K	31.1	Very low	27.9	Very low	196 Å²	196	136.1 Å²	136.1	85%	0.852	73%	0.729	S	S	*	*				-162.3	136.7	120.7	-117.7	173.2	-175.4	177.5	0	113.3
862	S	28.2	Very low	28	Very low	110 Å²	110	133.7 Å²	133.7	77%	0.769	72%	0.722	S	S	*	*			trans	59.1	141	154.7	47.9	0	0	0	0	119.1
863	E	30.5	Very low	27.9	Very low	198 Å²	198	128.7 Å²	128.7	93%	0.925	70%	0.701	S	S	*	*			cis	-118	177.7	7.3	-69.9	-172.4	131.2	0	0	113.4
864	M	25.4	Very low	27.9	Very low	169 Å²	169	127.4 Å²	127.4	83%	0.833	69%	0.694	S	S	*	*			trans	-133.9	164.4	-158.2	-156	-168.3	-46.5	0	0	111.2
865	S	29.2	Very low	27.8	Very low	80 Å²	80	125.8 Å²	125.8	56%	0.559	69%	0.686	S	S	*	*			trans	69.8	154.6	158.7	-59.8	0	0	0	0	117.1
866	E	30	Very low	27.7	Very low	156 Å²	156	125.5 Å²	125.5	73%	0.729	69%	0.685	S	S	*	*			cis	-149.9	144.1	-19.4	-111.7	139.8	-139.2	0	0	106.2
867	L	25	Very low	27.8	Very low	146 Å²	146	128.7 Å²	128.7	76%	0.764	69%	0.688	S	S	*	*				70	141	61.4	-106.2	175.7	0	0	0	114.6
868	L	28.7	Very low	27.5	Very low	146 Å²	146	129.5 Å²	129.5	76%	0.764	68%	0.682	S	S	*	*			trans	72.8	137	171.8	-54.1	170	0	0	0	115.9
869	I	30.4	Very low	27.3	Very low	143 Å²	143	130.8 Å²	130.8	73%	0.733	68%	0.68	S	S	*	*			cis	-142.4	162.4	4.1	-111.1	151.4	0	0	0	111.8
870	N	27.4	Very low	27.2	Very low	80 Å²	80	129.9 Å²	129.9	43%	0.428	68%	0.675	S	S	.	*			trans	-91.3	153	-167.1	-94.4	0.8	0	0	0	117.3	F1381 C1383	N870-F1381 WeakPolarHBondContact O-CD1 3.44Å; N870-F1381 WeakPolarHBondContact O-CE1 3.4Å; N870-C1383 WeakPolarHBondContact CB-SG 3.37Å
871	E	27.5	Very low	27.3	Very low	81 Å²	81	131.9 Å²	131.9	38%	0.379	67%	0.671	S	S	.	*			trans	62.6	121.4	134	-66.2	177.7	-124.6	0	0	125.3	F1381 C1383	E871-F1381 WeakPolarHBondContact O-CA 3.49Å; E871-F1381 WeakPolarHBondContact O-CD1 3.28Å; E871-F1381 WeakPolarHBondContact O-CD2 3.34Å; E871-F1381 WeakPolarHBondContact O-CG 3.5Å; E871-C1383 WeakPolarHBondContact OE1-CA 3.28Å; E871-C1383 PolarHBondContact OE1-N 2.99Å; E871-C1383 PolarHBondContact OE2-N 3.2Å
872	N	26.6	Very low	27.3	Very low	126 Å²	126	123.8 Å²	123.8	67%	0.674	64%	0.643	S	S	*	*			trans	42.4	107.3	134.7	-66.2	-28.9	0	0	0	120.1	F1381	N872-F1381 PolarHBondContact O-N 2.49Å
873	S	26.9	Very low	27.4	Very low	53 Å²	53	122.9 Å²	122.9	37%	0.371	63%	0.625	S	S	.	*				163.9	150.7	87.4	52.2	0	0	0	0	115.1	S1380	S873-S1380 WeakPolarHBondContact OG-CA 3.14Å; S873-S1380 PolarHBondContact OG-N 3.23Å
874	N	25.6	Very low	27.4	Very low	116 Å²	116	114.8 Å²	114.8	62%	0.62	60%	0.595	S	S	*	*			trans	77.5	141.5	160.8	-60.5	-10.8	0	0	0	121.3	F1378 P1379	N874-F1378 HydrophobicContact CB-CD1 4.39Å; N874-F1378 HydrophobicContact CB-CE1 4.12Å; N874-P1379 HydrophobicContact CB-CB 4.14Å
875	N	26	Very low	27.7	Very low	104 Å²	104	113.1 Å²	113.1	56%	0.556	59%	0.59	S	S	*	*			trans	80	137	156.4	-98.7	26.8	0	0	0	123.8	F1378	N875-F1378 HydrophobicContact CB-CE1 4.03Å; N875-F1378 VanDerWaalsContact ND2-CE1 3.27Å; N875-F1378 WeakPolarHBondContact ND2-CE1 3.4Å; N875-F1378 VanDerWaalsContact ND2-CZ 3.34Å; N875-F1378 WeakPolarHBondContact ND2-CZ 3.29Å; N875-F1378 WeakPolarHBondContact OD1-CE1 3.29Å; N875-F1378 WeakPolarHBondContact OD1-CZ 3.07Å
876	N	24.6	Very low	27.9	Very low	124 Å²	124	116.2 Å²	116.2	66%	0.663	60%	0.6	S	S	*	*			trans	72.4	142.7	144.9	-67.9	-6.9	0	0	0	121.7
877	H	27	Very low	28.1	Very low	168 Å²	168	115.4 Å²	115.4	78%	0.778	60%	0.6	S	S	*	*			trans	37.5	128.9	162.2	-64.5	-71.4	0	0	0	120.6
878	H	24.4	Very low	28.5	Very low	152 Å²	152	115.5 Å²	115.5	70%	0.704	60%	0.601	S	S	*	*				59.1	106.5	71.2	-122.5	-53.1	0	0	0	114.4
879	H	24.7	Very low	28.3	Very low	149 Å²	149	114 Å²	114	69%	0.69	60%	0.601	S	S	*	*			trans	57.4	121.3	152.3	-79.6	-37	0	0	0	122.5
880	L	25.8	Very low	28.7	Very low	129 Å²	129	112 Å²	112	68%	0.675	60%	0.597	S	S	*	*			trans	68.3	152.1	132.4	-56.5	169	0	0	0	117.7
881	F	29	Very low	28.6	Very low	144 Å²	144	114 Å²	114	63%	0.632	61%	0.613	S	S	*	*			cis	-134.6	161.2	-9	-94.2	-75.4	0	0	0	107
882	G	30	Very low	28.6	Very low	25 Å²	25	116.1 Å²	116.1	26%	0.258	63%	0.626	S	S	.	*			cis	113.4	135	1.2	0	0	0	0	0	114.3	G928 T929	G882-G928 CarbonylContact O-C 3.58Å; G882-T929 VanDerWaalsContact O-CA 3.26Å; G882-T929 WeakPolarHBondContact O-CA 3.08Å; G882-T929 PolarHBondContact O-N 3.37Å
883	K	31.1	Very low	28.6	Very low	91 Å²	91	116 Å²	116	40%	0.396	63%	0.63	S	S	.	*			trans	108.5	141.8	-177.9	-62.7	153.2	-178.5	171.2	0	112.4	I926 D927 T929 L930	K883-I926 PolarHBondContact NZ-O 3.32Å; K883-D927 PolarHBondContact NZ-O 2.7Å; K883-T929 HydrophobicContact CB-CG2 4Å; K883-T929 CarbonylContact O-C 3.45Å; K883-T929 WeakPolarHBondContact O-CA 3.28Å; K883-T929 WeakPolarHBondContact O-CB 3.49Å; K883-T929 WeakPolarHBondContact O-CG2 3.35Å; K883-L930 PolarHBondContact N-O 3.41Å; K883-L930 CarbonylContact O-C 3.27Å; K883-L930 WeakPolarHBondContact O-CA 3.38Å; K883-L930 PolarHBondContact O-N 3.45Å
884	G	31	Very low	28.5	Very low	29 Å²	29	122.5 Å²	122.5	30%	0.299	65%	0.651	S	S	.	*				85.7	146.2	97.8	0	0	0	0	0	114	T929	G884-T929 WeakPolarHBondContact O-CG2 3.1Å
885	N	30.8	Very low	28.6	Very low	133 Å²	133	123.6 Å²	123.6	71%	0.711	66%	0.657	S	S	*	*			cis	-148.4	170.6	0.4	-86	-40.2	0	0	0	111.5
886	N	32.7	Very low	28.6	Very low	145 Å²	145	125.6 Å²	125.6	78%	0.775	67%	0.667	S	S	*	*			trans	84.2	120.1	176.5	-52.2	-21.2	0	0	0	113.8
887	L	35.1	Very low	28.6	Very low	140 Å²	140	126.1 Å²	126.1	73%	0.733	67%	0.669	S	S	*	*			cis	-153.1	149.2	-0.3	-103.5	159.1	0	0	0	109.6
888	L	33.3	Very low	28.7	Very low	148 Å²	148	126.3 Å²	126.3	78%	0.775	67%	0.668	S	S	*	*			trans	59.6	118.9	156.8	-58.2	165.5	0	0	0	117.8
889	C	24	Very low	29	Very low	114 Å²	114	126.5 Å²	126.5	77%	0.77	67%	0.669	S	S	*	*			cis	62.1	152.4	9.6	-87.1	0	0	0	0	116.6
890	P	38.6	Very low	29.1	Very low	100 Å²	100	127.7 Å²	127.7	65%	0.649	67%	0.674	S	S	*	*			cis	-146.1	-166.9	-16.4	34.1	-9.8	0	0	0	115.6
891	T	25.3	Very low	29.4	Very low	124 Å²	124	127.2 Å²	127.2	76%	0.761	68%	0.681	S	S	*	*			trans	63.6	124.4	145.7	41	0	0	0	0	123.2
892	L	28.3	Very low	29.4	Very low	124 Å²	124	124.4 Å²	124.4	65%	0.649	68%	0.684	S	S	*	*			trans	-57.4	128.8	134.4	-86.7	152	0	0	0	110.7
893	T	26	Very low	29.4	Very low	124 Å²	124	130.8 Å²	130.8	76%	0.761	71%	0.711	S	S	*	*				176.2	143.3	108.6	33.9	0	0	0	0	112.2
894	K	25.5	Very low	29.4	Very low	190 Å²	190	132.4 Å²	132.4	83%	0.826	72%	0.724	S	S	*	*			trans	33.7	128.2	155.2	-66.5	-174.2	175.1	-174.5	0	120.1
895	D	26.7	Very low	29.4	Very low	138 Å²	138	137.2 Å²	137.2	74%	0.738	74%	0.743	S	S	*	*				-165.5	151.7	104.7	-112.4	-16.9	0	0	0	113.8
896	L	27	Very low	29.5	Very low	146 Å²	146	134.3 Å²	134.3	76%	0.764	73%	0.733	S	S	*	*			trans	52.9	162.2	149.3	-60.6	169.9	0	0	0	120.1
897	L	23.8	Very low	29.4	Very low	135 Å²	135	132.6 Å²	132.6	71%	0.707	72%	0.724	S	S	*	*			cis	-170.2	142.7	-32	-175.3	83.8	0	0	0	106.8
898	K	29.5	Very low	29.2	Very low	173 Å²	173	133.1 Å²	133.1	75%	0.752	73%	0.726	S	S	*	*			trans	71.4	155.1	-179.4	-45.4	178.8	-179.7	175.6	0	113.9
899	Q	30.9	Very low	28.9	Very low	155 Å²	155	131.8 Å²	131.8	72%	0.724	72%	0.72	S	S	*	*			cis	-153.4	126.7	-4.4	-135.9	160.6	-27	0	0	112.4
900	H	26	Very low	29.3	Very low	174 Å²	174	131 Å²	131	81%	0.806	72%	0.716	S	S	*	*			trans	57	161.9	148.3	-82.1	-103.7	0	0	0	123.3
901	C	32.1	Very low	29	Very low	120 Å²	120	133.6 Å²	133.6	81%	0.811	72%	0.722	S	S	*	*			trans	64.2	76.1	175.8	-59.7	0	0	0	0	114.7
902	A	30.7	Very low	29.2	Very low	84 Å²	84	133.4 Å²	133.4	69%	0.694	72%	0.721	S	S	*	*				89.5	117.7	78.3	0	0	0	0	0	111.4
903	L	29.2	Very low	29.3	Very low	159 Å²	159	134.3 Å²	134.3	83%	0.832	73%	0.726	S	S	*	*			cis	68.5	141.3	41.9	-48.8	171.5	0	0	0	112
904	N	30	Very low	29.5	Very low	125 Å²	125	133.3 Å²	133.3	67%	0.668	73%	0.725	S	S	*	*			cis	-142.5	-164.9	0.4	-139	39.6	0	0	0	108.1
905	N	31.5	Very low	29.7	Very low	130 Å²	130	131.7 Å²	131.7	70%	0.695	72%	0.724	S	S	*	*			cis	-123	-177.8	12.4	-100.4	-5.6	0	0	0	109.6
906	S	33	Very low	29.7	Very low	73 Å²	73	131.5 Å²	131.5	51%	0.51	72%	0.723	S	S	.	*			cis	74	152.1	30.9	115.5	0	0	0	0	114.8
907	D	31.5	Very low	29.7	Very low	108 Å²	108	130.4 Å²	130.4	58%	0.578	72%	0.718	S	S	*	*			cis	-137.8	170.1	6.7	-119.6	-55.1	0	0	0	111.9	N909	D907-N909 PolarHBondContact OD1-N 2.78Å; D907-N909 PolarHBondContact OD1-OD1 2.89Å
908	I	29.5	Very low	30	Very low	152 Å²	152	130.6 Å²	130.6	78%	0.779	72%	0.715	S	S	*	*	S	Bend		-139.8	117.3	55.3	-72.7	175	0	0	0	112.3
909	N	28.8	Very low	29.9	Very low	120 Å²	120	130.1 Å²	130.1	64%	0.642	72%	0.715	S	S	*	*			trans	45.1	158.2	133	-62.3	-44	0	0	0	121.4	D907	D907-N909 PolarHBondContact OD1-N 2.78Å; D907-N909 PolarHBondContact OD1-OD1 2.89Å
910	S	31.2	Very low	29.8	Very low	97 Å²	97	127.8 Å²	127.8	68%	0.678	72%	0.716	S	S	*	*			cis	174.9	166.7	-23.7	71.8	0	0	0	0	105.7
911	I	32.2	Very low	29.9	Very low	155 Å²	155	125.1 Å²	125.1	80%	0.795	72%	0.717	S	S	*	*			cis	-153.6	175.6	5.7	-145.3	158.7	0	0	0	111.8
912	T	30.7	Very low	29.9	Very low	119 Å²	119	127.5 Å²	127.5	73%	0.73	72%	0.716	S	S	*	*			trans	-79.8	179.2	-173.1	52.8	0	0	0	0	113.2
913	N	29.3	Very low	29.7	Very low	143 Å²	143	134.5 Å²	134.5	77%	0.765	73%	0.725	S	S	*	*			cis	-152.4	-150	27.3	-156.4	-10	0	0	0	113.5
914	S	30.7	Very low	29.5	Very low	103 Å²	103	136.3 Å²	136.3	72%	0.72	73%	0.726	S	S	*	*			trans	-165.2	-173.8	-168.8	-76.9	0	0	0	0	113.5
915	L	28.6	Very low	29.5	Very low	157 Å²	157	139 Å²	139	82%	0.822	74%	0.735	S	S	*	*			trans	91.4	153.5	172	-61.9	158.8	0	0	0	115.6
916	L	27.7	Very low	29.5	Very low	134 Å²	134	138.4 Å²	138.4	70%	0.702	73%	0.73	S	S	*	*			cis	-153.4	165.2	25.4	-138.4	145.2	0	0	0	113
917	N	27.3	Very low	29.4	Very low	123 Å²	123	140.8 Å²	140.8	66%	0.658	74%	0.737	S	S	*	*			trans	71.8	148.3	166.7	-77.7	-20.8	0	0	0	119.8
918	Q	28.8	Very low	29.4	Very low	139 Å²	139	137.1 Å²	137.1	65%	0.65	73%	0.725	S	S	*	*			cis	-167.8	161.1	-32.2	-134.2	-172.7	72.8	0	0	111.1
919	Q	28.5	Very low	29.4	Very low	163 Å²	163	133.7 Å²	133.7	76%	0.762	71%	0.711	S	S	*	*			trans	66.5	157.9	160	-65.8	177.6	33	0	0	119.3
920	S	27.9	Very low	29.5	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	71%	0.709	S	S	*	*			cis	-162.6	167.5	-31.8	62.5	0	0	0	0	111.1
921	S	29.1	Very low	29.4	Very low	119 Å²	119	134.9 Å²	134.9	83%	0.832	71%	0.709	S	S	*	*			trans	-91.3	142.7	-167.2	-44.4	0	0	0	0	116
922	Q	31.1	Very low	29.4	Very low	170 Å²	170	135 Å²	135	79%	0.794	71%	0.706	S	S	*	*			trans	-148.1	154.1	158.9	-70.8	-158.1	36.3	0	0	110.3
923	R	26.9	Very low	29	Very low	230 Å²	230	136.4 Å²	136.4	87%	0.868	71%	0.706	S	S	*	*			cis	-154.7	163.5	-24.5	-115.1	-177.9	179.2	-157.6	0.6	108.1
924	K	26.1	Very low	28.9	Very low	198 Å²	198	141.1 Å²	141.1	86%	0.861	71%	0.713	S	S	*	*			trans	-93	154.7	177.6	-59.5	176.1	-178.7	177	0	112.2
925	Q	30.1	Very low	28.9	Very low	182 Å²	182	139.3 Å²	139.3	85%	0.85	71%	0.711	S	S	*	*			trans	167	147.6	142.4	-94.9	172	-14.3	0	0	108.6
926	I	30.5	Very low	28.9	Very low	116 Å²	116	136.1 Å²	136.1	60%	0.595	69%	0.694	S	S	*	*			cis	-153.3	177.2	-8.5	-133	164.1	0	0	0	109.8	K883	K883-I926 PolarHBondContact NZ-O 3.32Å
927	D	30.3	Very low	28.9	Very low	124 Å²	124	135.6 Å²	135.6	66%	0.663	69%	0.686	S	S	*	*			trans	18	159.3	162.8	-48.3	-19.3	0	0	0	123.8	K883	K883-D927 PolarHBondContact NZ-O 2.7Å
928	G	31.8	Very low	29	Very low	31 Å²	31	135.2 Å²	135.2	32%	0.32	68%	0.684	S	S	.	*			cis	170.7	161	-9.8	0	0	0	0	0	110.1	G882	G882-G928 CarbonylContact O-C 3.58Å
929	T	30.4	Very low	29.1	Very low	79 Å²	79	137.5 Å²	137.5	49%	0.485	69%	0.692	S	S	.	*			cis	-163.4	116.6	-22.9	37.1	0	0	0	0	113	G882 K883 G884	G882-T929 VanDerWaalsContact O-CA 3.26Å; G882-T929 WeakPolarHBondContact O-CA 3.08Å; G882-T929 PolarHBondContact O-N 3.37Å; K883-T929 HydrophobicContact CB-CG2 4Å; K883-T929 CarbonylContact O-C 3.45Å; K883-T929 WeakPolarHBondContact O-CA 3.28Å; K883-T929 WeakPolarHBondContact O-CB 3.49Å; K883-T929 WeakPolarHBondContact O-CG2 3.35Å; G884-T929 WeakPolarHBondContact O-CG2 3.1Å
930	L	29.5	Very low	28.9	Very low	114 Å²	114	132.5 Å²	132.5	60%	0.597	68%	0.684	S	S	*	*				-172.7	-175.2	125	-127.4	70.7	0	0	0	116.7	K883	K883-L930 PolarHBondContact N-O 3.41Å; K883-L930 CarbonylContact O-C 3.27Å; K883-L930 WeakPolarHBondContact O-CA 3.38Å; K883-L930 PolarHBondContact O-N 3.45Å
931	N	30.4	Very low	29	Very low	129 Å²	129	139 Å²	139	69%	0.69	69%	0.692	S	S	*	*			trans	-67.3	-166.9	-167	-69.4	-18.3	0	0	0	118.9
932	Q	30.9	Very low	28.8	Very low	156 Å²	156	139.8 Å²	139.8	73%	0.729	69%	0.692	S	S	*	*				-179.1	142.6	-53.1	-157.1	-163.8	40.9	0	0	109.6
933	M	23.2	Very low	28.5	Very low	149 Å²	149	136.7 Å²	136.7	73%	0.734	69%	0.688	S	S	*	*			trans	48.4	111.8	162.3	-75	-162.2	-64.9	0	0	123.3
934	R	28.2	Very low	28.5	Very low	243 Å²	243	136.5 Å²	136.5	92%	0.917	69%	0.688	S	S	*	*				159.8	159.8	111.7	-87.4	-167.9	-177.6	-171.3	2.4	112.8
935	G	30	Very low	28.5	Very low	64 Å²	64	134.2 Å²	134.2	66%	0.66	68%	0.683	S	S	*	*			trans	74.2	100	169.4	0	0	0	0	0	115.3
936	I	27.3	Very low	28.4	Very low	91 Å²	91	131.3 Å²	131.3	47%	0.467	68%	0.678	S	S	.	*				56.4	96.4	70.1	-54.2	-176.9	0	0	0	109	N1517	I936-N1517 HydrophobicContact CD1-CB 4.25Å; I936-N1517 HydrophobicContact CG2-CB 4.17Å
937	K	28.5	Very low	28.8	Very low	123 Å²	123	130.7 Å²	130.7	54%	0.535	68%	0.681	S	S	.	*				56.4	141.7	91.8	-66.1	179.4	-179.6	178.7	0	111.8	N1518	K937-N1518 PolarHBondContact NZ-OD1 3.2Å
938	N	29.7	Very low	28.8	Very low	115 Å²	115	130.4 Å²	130.4	62%	0.615	68%	0.684	S	S	*	*			cis	-161.8	-179.3	-8.3	-99.7	-6.7	0	0	0	104.7
939	F	29.9	Very low	28.7	Very low	186 Å²	186	135.7 Å²	135.7	82%	0.816	70%	0.704	S	S	*	*			cis	-144.7	131.2	22.1	-104.5	-76.6	0	0	0	111.6
940	G	25.1	Very low	28.6	Very low	58 Å²	58	139.7 Å²	139.7	60%	0.598	72%	0.718	S	S	*	*			trans	-80.7	126.8	151	0	0	0	0	0	110.6
941	R	29	Very low	28.6	Very low	242 Å²	242	138.1 Å²	138.1	91%	0.913	72%	0.721	S	S	*	*			trans	41.3	127.6	130.1	-54.9	176.6	-177.1	-173.7	0	119.2
942	T	26.3	Very low	28.8	Very low	135 Å²	135	139.4 Å²	139.4	83%	0.828	73%	0.726	S	S	*	*				-93.5	151.8	122.1	57.1	0	0	0	0	107.9
943	C	24.2	Very low	28.7	Very low	106 Å²	106	138 Å²	138	72%	0.716	73%	0.728	S	S	*	*			cis	-153.7	167.6	4.2	-140.8	0	0	0	0	111.6
944	R	27.1	Very low	29.4	Very low	226 Å²	226	137.1 Å²	137.1	85%	0.853	73%	0.733	S	S	*	*			trans	62.3	108	153.8	-72.8	-175.8	-179.1	-175.9	-0.2	120.9
945	I	25.8	Very low	29.6	Very low	150 Å²	150	128.9 Å²	128.9	77%	0.769	73%	0.725	S	S	*	*				13	124.6	103.5	-73.8	168.8	0	0	0	114
946	T	28.3	Very low	29.8	Very low	120 Å²	120	133.3 Å²	133.3	74%	0.736	73%	0.732	S	S	*	*			cis	-178.7	-172.7	17.8	25	0	0	0	0	107.3
947	P	39.8	Very low	29.8	Very low	103 Å²	103	134.9 Å²	134.9	67%	0.669	75%	0.745	S	S	*	*			cis	-138.6	-176.6	-49.2	40.8	-23.3	0	0	0	114.2
948	V	29.5	Very low	30.2	Very low	119 Å²	119	135.1 Å²	135.1	72%	0.721	76%	0.757	S	S	*	*			trans	53	140.8	135.9	161.1	0	0	0	0	121.6
949	L	29.4	Very low	30	Very low	142 Å²	142	134.1 Å²	134.1	74%	0.743	76%	0.759	S	S	*	*			cis	-150.7	-133.2	-24.2	-95.3	172.4	0	0	0	105.3
950	E	28.6	Very low	30.4	Very low	163 Å²	163	132.4 Å²	132.4	76%	0.762	76%	0.757	S	S	*	*			cis	-165.3	165.2	-7.5	-137	164.9	-84.1	0	0	106.7
951	A	29.7	Very low	30.4	Very low	80 Å²	80	133.8 Å²	133.8	66%	0.661	76%	0.757	S	S	*	*			cis	-126.5	-118	1.7	0	0	0	0	0	111.3
952	I	35.1	Very low	30.6	Very low	157 Å²	157	129.1 Å²	129.1	81%	0.805	75%	0.746	S	S	*	*			cis	-135.9	160.1	6.4	-71.8	174.7	0	0	0	110
953	T	27.5	Very low	30.6	Very low	126 Å²	126	128.6 Å²	128.6	77%	0.773	74%	0.743	S	S	*	*			trans	-79.6	178.2	-176.9	33.7	0	0	0	0	114.9
954	P	39.2	Very low	30.8	Very low	130 Å²	130	128.8 Å²	128.8	84%	0.844	75%	0.745	S	S	*	*			cis	-138.2	178	18.7	43.2	-24.7	0	0	0	118.5
955	G	32.7	Very low	31	Very low	71 Å²	71	122.4 Å²	122.4	73%	0.732	74%	0.741	S	S	*	*			trans	175.1	74	171.6	0	0	0	0	0	118.5
956	I	33	Very low	31.4	Very low	157 Å²	157	121.6 Å²	121.6	81%	0.805	74%	0.743	S	S	*	*			trans	32.6	98	143.5	-53.7	175.7	0	0	0	117.3
957	T	28.4	Very low	31.5	Very low	123 Å²	123	119.9 Å²	119.9	76%	0.755	74%	0.741	S	S	*	*				69.5	98.5	70.6	68.9	0	0	0	0	119
958	T	35.1	Very low	31.1	Very low	128 Å²	128	119.8 Å²	119.8	79%	0.785	74%	0.743	S	S	*	*			trans	-164.4	132.8	140.5	37	0	0	0	0	106.5
959	S	26.1	Very low	31.1	Very low	94 Å²	94	119 Å²	119	66%	0.657	74%	0.743	S	S	*	*			cis	74.9	144	37.9	79.9	0	0	0	0	114.8
960	I	37.6	Very low	31.1	Very low	150 Å²	150	117.1 Å²	117.1	77%	0.769	74%	0.741	S	S	*	*			trans	77.6	116.4	-172.5	-52.9	166.3	0	0	0	110.8
961	S	25.2	Very low	31.2	Very low	87 Å²	87	115 Å²	115	61%	0.608	74%	0.74	S	S	*	*			cis	107.2	165.8	24.1	79.5	0	0	0	0	114
962	E	33.3	Very low	31.3	Very low	145 Å²	145	117.7 Å²	117.7	68%	0.678	75%	0.748	S	S	*	*			trans	58.4	116.6	-169.9	-70.5	100.5	-84.6	0	0	116.9
963	T	27.6	Very low	31.1	Very low	123 Å²	123	114.4 Å²	114.4	76%	0.755	74%	0.744	S	S	*	*			cis	72.7	165.1	17.7	95.1	0	0	0	0	116.6
964	S	28.7	Very low	31.3	Very low	110 Å²	110	112.4 Å²	112.4	77%	0.769	74%	0.741	S	S	*	*			trans	76.6	148.7	-177.7	-46.2	0	0	0	0	113.8
965	A	29.9	Very low	30.7	Very low	93 Å²	93	112.3 Å²	112.3	77%	0.769	74%	0.738	S	S	*	*			cis	-161.7	165.1	7.5	0	0	0	0	0	109.6
966	V	33.9	Very low	31.1	Very low	132 Å²	132	114.1 Å²	114.1	80%	0.8	74%	0.737	S	S	*	*			cis	-162.1	148.3	-7.5	89.4	0	0	0	0	111.7
967	A	30.5	Very low	30.8	Very low	85 Å²	85	112 Å²	112	70%	0.702	73%	0.731	S	S	*	*			trans	58.6	168.1	151.7	0	0	0	0	0	119.7
968	S	31.5	Very low	30.8	Very low	101 Å²	101	111.5 Å²	111.5	71%	0.706	73%	0.728	S	S	*	*			cis	-147.3	158.6	12.6	-53.9	0	0	0	0	114
969	S	31.3	Very low	30.5	Very low	102 Å²	102	112.3 Å²	112.3	71%	0.713	73%	0.733	S	S	*	*			trans	38.2	113.6	143.6	57.9	0	0	0	0	120.3
970	S	27.4	Very low	30.7	Very low	102 Å²	102	111 Å²	111	71%	0.713	74%	0.735	S	S	*	*				90.9	154	52.6	72.6	0	0	0	0	115.9
971	T	31.7	Very low	30.2	Very low	120 Å²	120	111.4 Å²	111.4	74%	0.736	74%	0.738	S	S	*	*			trans	93.5	131.1	169.4	70.2	0	0	0	0	119.3
972	T	32	Very low	30.3	Very low	135 Å²	135	115.8 Å²	115.8	83%	0.828	75%	0.746	S	S	*	*			trans	59.5	153.3	149.8	50.2	0	0	0	0	120.7
973	A	30.7	Very low	30.2	Very low	89 Å²	89	116.7 Å²	116.7	74%	0.736	75%	0.748	S	S	*	*			cis	-171.1	173.1	-20.9	0	0	0	0	0	109.3
974	A	31.1	Very low	30.3	Very low	84 Å²	84	118.6 Å²	118.6	69%	0.694	75%	0.748	S	S	*	*			trans	66	146.4	166.2	0	0	0	0	0	116.6
975	T	26.7	Very low	30.4	Very low	128 Å²	128	122.3 Å²	122.3	79%	0.785	75%	0.75	S	S	*	*			cis	74.8	145.8	26	80.2	0	0	0	0	114.6
976	P	41.3	Very low	30.3	Very low	109 Å²	109	122 Å²	122	71%	0.708	74%	0.743	S	S	*	*				-131.7	-125.3	-79.2	31	-8.9	0	0	0	111.1
977	T	27.7	Very low	30.1	Very low	111 Å²	111	123 Å²	123	68%	0.681	74%	0.742	S	S	*	*			trans	74.1	115	154.7	43.1	0	0	0	0	122.3
978	T	27.6	Very low	29.9	Very low	114 Å²	114	128 Å²	128	70%	0.699	75%	0.751	S	S	*	*				76.6	128.9	125.3	58.6	0	0	0	0	124.5
979	T	27.8	Very low	29.7	Very low	144 Å²	144	132 Å²	132	88%	0.883	76%	0.758	S	S	*	*			trans	72.7	144.7	137.6	52.7	0	0	0	0	121.3
980	G	31.1	Very low	29.5	Very low	68 Å²	68	131.8 Å²	131.8	70%	0.701	76%	0.756	S	S	*	*			trans	118.5	74.2	-178	0	0	0	0	0	111.8
981	L	27.1	Very low	29.4	Very low	158 Å²	158	134.1 Å²	134.1	83%	0.827	76%	0.756	S	S	*	*				37.6	86.8	84	-74.6	172.7	0	0	0	113.9
982	F	28.4	Very low	29.1	Very low	179 Å²	179	136.2 Å²	136.2	79%	0.785	76%	0.755	S	S	*	*				174.1	150.6	105.2	-102.9	-75	0	0	0	113.7
983	K	30.9	Very low	28.6	Very low	164 Å²	164	139 Å²	139	71%	0.713	75%	0.75	S	S	*	*			trans	62.2	127.3	152.2	-81.5	166.6	-179.2	178.1	0	122.1
984	Q	29.3	Very low	28.3	Very low	162 Å²	162	140.8 Å²	140.8	76%	0.757	74%	0.743	S	S	*	*			trans	73.2	107.4	134.9	-70.4	172	-89.2	0	0	121.2
985	K	29.9	Very low	27.9	Very low	189 Å²	189	142.3 Å²	142.3	82%	0.822	74%	0.74	S	S	*	*				51.3	108	120.9	-79.6	-163.3	172.5	-171.4	0	119.5
986	S	27.6	Very low	27.9	Very low	87 Å²	87	142.7 Å²	142.7	61%	0.608	73%	0.733	S	S	*	*				102.2	117.3	106.8	-71.4	0	0	0	0	120.1
987	I	29.7	Very low	27.1	Very low	151 Å²	151	142.6 Å²	142.6	77%	0.774	73%	0.726	S	S	*	*				68.3	106	130	-54.8	164.4	0	0	0	116.3
988	E	26.5	Very low	27	Very low	191 Å²	191	142.9 Å²	142.9	89%	0.893	73%	0.727	S	S	*	*				-161.1	163.9	95.3	-94	-155.6	157.6	0	0	112.2
989	H	28.2	Very low	27	Very low	185 Å²	185	145.9 Å²	145.9	86%	0.856	73%	0.731	S	S	*	*			trans	-117.6	128.9	178.3	-127.1	-84.7	0	0	0	108.3
990	S	26.1	Very low	27	Very low	97 Å²	97	143.1 Å²	143.1	68%	0.678	72%	0.717	S	S	*	*			trans	171.3	167.9	131.9	55.6	0	0	0	0	113.7
991	H	26.6	Very low	26.8	Very low	152 Å²	152	143.8 Å²	143.8	70%	0.704	71%	0.712	S	S	*	*			trans	70.4	108	161.4	-73.7	-49.3	0	0	0	120.9
992	K	24.3	Very low	27.1	Very low	164 Å²	164	147 Å²	147	71%	0.713	71%	0.712	S	S	*	*				89.8	136.6	119.8	-79.3	178.4	179.2	172.8	0	119.4
993	W	22.4	Very low	27.2	Very low	193 Å²	193	148.8 Å²	148.8	73%	0.731	71%	0.714	S	S	*	*			trans	95.7	124.6	131.7	-90.2	32.4	0	0	0	119.4
994	Q	24.8	Very low	27.1	Very low	126 Å²	126	146 Å²	146	59%	0.589	71%	0.707	S	S	*	*			trans	77	119.7	134.9	-77.2	-165.8	-2.7	0	0	116.4
995	N	22.6	Very low	27	Very low	117 Å²	117	142.6 Å²	142.6	63%	0.626	70%	0.701	S	S	*	*				75.3	143.2	78.4	-83.5	6.2	0	0	0	111.8
996	Q	25.3	Very low	27	Very low	136 Å²	136	139.1 Å²	139.1	64%	0.636	70%	0.696	S	S	*	*			cis	-168.2	169.2	-15.7	-127.4	176.9	28.9	0	0	108
997	N	24.6	Very low	27	Very low	107 Å²	107	146.1 Å²	146.1	57%	0.572	71%	0.709	S	S	*	*			trans	63.2	116.3	152.2	-56.3	-20.9	0	0	0	117.7
998	V	26.5	Very low	26.8	Very low	116 Å²	116	146.3 Å²	146.3	70%	0.703	71%	0.712	S	S	*	*				80.8	153.4	54.4	177.4	0	0	0	0	112.3
999	F	26.9	Very low	27.4	Very low	178 Å²	178	143.3 Å²	143.3	78%	0.781	71%	0.709	S	S	*	*			trans	113.6	128.4	163.7	-70.2	-87.3	0	0	0	115.3
1000	S	27.3	Very low	27.3	Very low	85 Å²	85	139 Å²	139	59%	0.594	70%	0.699	S	S	*	*			cis	177.4	-175	-20.4	-113.6	0	0	0	0	111
1001	S	28.8	Very low	27.4	Very low	83 Å²	83	138.8 Å²	138.8	58%	0.58	69%	0.69	S	S	*	*			trans	85.8	145.8	153.7	-57.6	0	0	0	0	116.1
1002	R	31.4	Very low	27.3	Very low	224 Å²	224	134.9 Å²	134.9	85%	0.845	68%	0.675	S	S	*	*			cis	-158	176	-3.9	-109.4	158.7	-133.6	177.7	2.2	106.2
1003	R	30.5	Very low	27.4	Very low	217 Å²	217	131.9 Å²	131.9	82%	0.819	67%	0.667	S	S	*	*			cis	-160.9	173.4	12.5	-132.8	-168.2	153.8	169.1	-5.8	105.7
1004	N	29.1	Very low	27.5	Very low	105 Å²	105	129.5 Å²	129.5	56%	0.561	67%	0.668	S	S	*	*			cis	-160.2	168.3	-7.6	-159.4	89.2	0	0	0	107
1005	S	27.8	Very low	27.6	Very low	91 Å²	91	129.1 Å²	129.1	64%	0.636	68%	0.679	S	S	*	*			trans	69.1	135.8	152.3	-94.7	0	0	0	0	120.4
1006	T	29.4	Very low	28	Very low	116 Å²	116	127.1 Å²	127.1	71%	0.712	69%	0.687	S	S	*	*			cis	-165.3	152.6	-12.5	-5	0	0	0	0	111.8
1007	R	28.5	Very low	28.1	Very low	234 Å²	234	127.9 Å²	127.9	88%	0.883	70%	0.7	S	S	*	*			trans	80.9	135.2	159.8	-70	179.9	171.8	169.5	-2.8	119.8
1008	D	24.6	Very low	28.4	Very low	156 Å²	156	126.1 Å²	126.1	83%	0.834	71%	0.707	S	S	*	*			trans	-107.6	-154.1	179.1	-51.7	-89.1	0	0	0	110.8
1009	P	38.7	Very low	28.4	Very low	127 Å²	127	132.3 Å²	132.3	83%	0.825	72%	0.718	S	S	*	*				-133.7	178.1	-111.2	40.5	-20.3	0	0	0	117
1010	S	27.7	Very low	28.3	Very low	95 Å²	95	129.9 Å²	129.9	66%	0.664	72%	0.722	S	S	*	*			trans	-157.2	109.3	162.9	62.9	0	0	0	0	116.2
1011	N	26.8	Very low	28.2	Very low	92 Å²	92	131.1 Å²	131.1	49%	0.492	73%	0.731	S	S	.	*			trans	32.3	144.4	135.1	-122.9	-8.7	0	0	0	125.2	P356 N357 H358	P356-N1011 CarbonylContact C-O 3.47Å; N357-N1011 CarbonylContact C-O 2.81Å; N357-N1011 WeakPolarHBondContact CA-O 3.46Å; N357-N1011 PolarHBondContact N-O 3.25Å; H358-N1011 PolarHBondContact N-O 2.93Å
1012	N	25.7	Very low	28.2	Very low	71 Å²	71	133.5 Å²	133.5	38%	0.38	74%	0.741	S	S	.	*			trans	53.8	96.4	134.8	-80.4	-30	0	0	0	128.4	N357 H358	N357-N1012 VanDerWaalsContact CA-O 3.32Å; N357-N1012 WeakPolarHBondContact CA-O 3.46Å; N357-N1012 PolarHBondContact N-O 3Å; H358-N1012 PolarHBondContact N-O 3.39Å
1013	N	25.4	Very low	27.9	Very low	100 Å²	100	129.6 Å²	129.6	54%	0.535	74%	0.737	S	S	.	*				74.1	158.1	119.5	-68.4	-22.9	0	0	0	126.2	H358	H358-N1013 PolarHBondContact CE1-O 2.87Å; H358-N1013 PolarHBondContact ND1-O 3.24Å
1014	N	26.1	Very low	27.7	Very low	143 Å²	143	125.4 Å²	125.4	77%	0.765	73%	0.727	S	S	*	*			trans	77.9	89.5	152	-77.5	4.7	0	0	0	123.7
1015	S	26.5	Very low	28.1	Very low	118 Å²	118	123.4 Å²	123.4	83%	0.825	72%	0.72	S	S	*	*				-159.3	142.6	115.5	46.3	0	0	0	0	109.8
1016	G	30.5	Very low	28.1	Very low	76 Å²	76	122.9 Å²	122.9	78%	0.784	71%	0.71	S	S	*	*			cis	-160.2	165.2	-9.6	0	0	0	0	0	110.9
1017	V	28.4	Very low	28.1	Very low	151 Å²	151	122.1 Å²	122.1	92%	0.915	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-97.8	122.2	-177.7	174.7	0	0	0	0	111.2
1018	G	29.7	Very low	28.1	Very low	70 Å²	70	116.5 Å²	116.5	72%	0.722	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-79.1	149.9	168.3	0	0	0	0	0	112.3
1019	R	26.4	Very low	28.4	Very low	246 Å²	246	114.1 Å²	114.1	93%	0.928	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-80.5	151.2	-178.4	-60.3	173.5	178.2	168.8	-2.8	112.1
1020	C	25.2	Very low	28.3	Very low	128 Å²	128	110.8 Å²	110.8	87%	0.865	66%	0.655	S	S	*	*			trans	-154.2	136.8	132.3	-115	0	0	0	0	112.7
1021	S	24.2	Very low	28.6	Very low	111 Å²	111	113.1 Å²	113.1	78%	0.776	66%	0.655	S	S	*	*			trans	-149.7	158.2	164.6	-49	0	0	0	0	104
1022	V	30.7	Very low	29.2	Very low	132 Å²	132	114.3 Å²	114.3	80%	0.8	66%	0.658	S	S	*	*				-160.4	169.3	54.4	168.6	0	0	0	0	108.7
1023	D	24.2	Very low	29.8	Very low	143 Å²	143	114.7 Å²	114.7	77%	0.765	66%	0.66	S	S	*	*			trans	-72.7	152	-170	-38	-107.7	0	0	0	117.4
1024	E	26.8	Very low	30.1	Very low	128 Å²	128	113.8 Å²	113.8	60%	0.598	65%	0.654	S	S	*	*			trans	-134.4	129.2	143.9	-87.6	-142.7	92	0	0	108.6	K1199 K1211	E1024-K1199 IonicContact OE2-NZ 3.17Å; E1024-K1211 IonicContact OE1-NZ 2.64Å; E1024-K1211 PolarHBondContact OE1-NZ 2.58Å
1025	P	36.7	Very low	30.5	Very low	63 Å²	63	114.3 Å²	114.3	41%	0.409	66%	0.657	S	S	.	*			trans	-121.7	169.2	175.5	40.8	-33.2	0	0	0	116.1	V1091	P1025-V1091 HydrophobicContact CB-CB 4.28Å; P1025-V1091 HydrophobicContact CB-CG1 3.79Å; P1025-V1091 HydrophobicContact CB-CG2 3.63Å; P1025-V1091 HydrophobicContact CG-CG1 4.11Å
1026	D	27	Very low	30.6	Very low	81 Å²	81	116 Å²	116	43%	0.433	66%	0.657	S	S	.	*			trans	55.3	84.2	167.5	-77.7	-8	0	0	0	117.3
1027	V	29.3	Very low	30.4	Very low	100 Å²	100	116.1 Å²	116.1	61%	0.606	66%	0.658	S	S	*	*	S	Bend	trans	-119.2	154.3	137.9	178.7	0	0	0	0	106.5	D1029	V1027-D1029 PolarHBondContact O-N 3.2Å
1028	D	28.9	Very low	30.5	Very low	115 Å²	115	119.7 Å²	119.7	62%	0.615	66%	0.655	S	S	*	*			trans	-70.4	97.3	-174.9	-65.1	-79.9	0	0	0	112.8	D1030	D1028-D1030 PolarHBondContact O-N 2.96Å
1029	D	31.7	Very low	30.6	Very low	107 Å²	107	122.8 Å²	122.8	57%	0.572	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	81.5	169.1	-35	-93.1	0	0	0	111.3	V1027 R1109	V1027-D1029 PolarHBondContact O-N 3.2Å; D1029-R1109 VanDerWaalsContact CB-NH2 3.32Å; D1029-R1109 PolarHBondContact O-NH2 3.36Å; D1029-R1109 IonicContact OD2-CZ 3.02Å; D1029-R1109 IonicContact OD2-NE 2.83Å; D1029-R1109 IonicContact OD2-NH1 2.73Å; D1029-R1109 PolarHBondContact OD2-NH1 3.34Å; D1029-R1109 IonicContact OD2-NH2 3.3Å; D1029-R1109 PolarHBondContact OD2-NH2 3.1Å
1030	D	37.1	Very low	31.1	Very low	57 Å²	57	116.6 Å²	116.6	31%	0.305	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-152.4	1.8	156.3	-85.1	-50.1	0	0	0	111.3	D1028 E1032 S1128 R1129 N1132	D1028-D1030 PolarHBondContact O-N 2.96Å; D1030-E1032 VanDerWaalsContact C-N 3.3Å; D1030-E1032 PolarHBondContact O-N 2.75Å; D1030-S1128 PolarHBondContact OD1-OG 2.83Å; D1030-R1129 IonicContact OD2-CZ 2.89Å; D1030-R1129 IonicContact OD2-NE 3.28Å; D1030-R1129 PolarHBondContact OD2-NE 2.93Å; D1030-R1129 IonicContact OD2-NH2 2.87Å; D1030-R1129 PolarHBondContact OD2-NH2 3.32Å; D1030-N1132 PolarHBondContact OD1-ND2 2.97Å
1031	E	33.5	Very low	31.3	Very low	144 Å²	144	119.1 Å²	119.1	67%	0.673	65%	0.651	S	S	*	*			trans	-76.6	68.2	171.8	-74.3	-162.9	152.2	0	0	112.9	L1033	E1031-L1033 HydrophobicContact CG-CD1 4.43Å
1032	E	39.5	Very low	31.6	Very low	116 Å²	116	122.8 Å²	122.8	54%	0.542	66%	0.656	S	S	.	*			trans	-84.8	99.5	140.9	-91.5	-152.5	133.1	0	0	107.6	D1030 K1125	D1030-E1032 VanDerWaalsContact C-N 3.3Å; D1030-E1032 PolarHBondContact O-N 2.75Å; E1032-K1125 IonicContact OE1-NZ 3.06Å; E1032-K1125 PolarHBondContact OE1-NZ 3.11Å; E1032-K1125 IonicContact OE2-NZ 2.75Å; E1032-K1125 PolarHBondContact OE2-NZ 2.84Å
1033	L	38.8	Very low	31.6	Very low	80 Å²	80	119.6 Å²	119.6	42%	0.419	65%	0.65	S	S	.	*			trans	-129.3	97	173.6	-75.4	175.4	0	0	0	110.8	E1031	E1031-L1033 HydrophobicContact CG-CD1 4.43Å
1034	D	31.5	Very low	32	Very low	80 Å²	80	120.2 Å²	120.2	43%	0.428	65%	0.653	S	S	.	*			trans	50.4	149.8	140.9	-53.7	-24	0	0	0	121.8
1035	D	33.5	Very low	32.6	Very low	154 Å²	154	119.7 Å²	119.7	82%	0.824	66%	0.661	S	S	*	*			trans	62.6	125.5	-177.3	-53	-20.3	0	0	0	115.1
1036	D	28.5	Very low	33.4	Very low	153 Å²	153	121.8 Å²	121.8	82%	0.818	67%	0.668	S	S	*	*			cis	-152.3	144.7	16.7	-124.2	-30.4	0	0	0	113	R1038	D1036-R1038 PolarHBondContact O-N 3.19Å
1037	G	27.9	Very low	34.7	Very low	79 Å²	79	126.3 Å²	126.3	81%	0.814	68%	0.684	S	S	*	*			trans	64.5	27.7	137.9	0	0	0	0	0	122
1038	R	29.8	Very low	36.8	Very low	226 Å²	226	124.5 Å²	124.5	85%	0.853	67%	0.674	S	S	*	*			trans	-147.8	131.2	165.8	-118.3	179.4	-172.8	-170.6	0.5	114.2	D1036 P1040	D1036-R1038 PolarHBondContact O-N 3.19Å; R1038-P1040 VanDerWaalsContact O-CD 3.32Å; R1038-P1040 WeakPolarHBondContact O-CD 3.4Å
1039	V	30.6	Very low	39.5	Very low	135 Å²	135	120.1 Å²	120.1	82%	0.818	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-75.5	117.7	163	177.9	0	0	0	0	108.2
1040	P	38	Very low	42.4	Very low	116 Å²	116	116.7 Å²	116.7	75%	0.753	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-77.9	128.4	164.7	-3.5	23.2	0	0	0	108.1	R1038	R1038-P1040 VanDerWaalsContact O-CD 3.32Å; R1038-P1040 WeakPolarHBondContact O-CD 3.4Å
1041	Q	29.4	Very low	45.1	Very low	182 Å²	182	115.7 Å²	115.7	85%	0.85	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-68.5	153.8	157.5	-71.9	-179.3	-48	0	0	108.8	G1043	Q1041-G1043 PolarHBondContact O-N 2.71Å
1042	E	31	Very low	48.1	Very low	188 Å²	188	108.8 Å²	108.8	88%	0.879	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-52.2	121.2	-178.8	-61.4	171.1	148.6	0	0	110.3
1043	G	30.2	Very low	50.6	Low	65 Å²	65	106.5 Å²	106.5	67%	0.67	58%	0.583	S	S	*	*			trans	-147.1	3.4	-157.7	0	0	0	0	0	116.8	Q1041	Q1041-G1043 PolarHBondContact O-N 2.71Å
1044	D	32.5	Very low	53.1	Low	156 Å²	156	103.3 Å²	103.3	83%	0.834	57%	0.565	S	S	*	*			trans	-167.8	138.2	150.2	-98.5	-32.6	0	0	0	107.2	D1046	D1044-D1046 PolarHBondContact O-N 2.64Å
1045	P	40.3	Very low	55.9	Low	117 Å²	117	100.6 Å²	100.6	76%	0.76	56%	0.556	S	S	*	*			trans	-68.7	128.8	168.5	29	-31.2	0	0	0	108.8	F1047	P1045-F1047 PolarHBondContact O-N 3.18Å
1046	D	53.1	Low	58.6	Low	107 Å²	107	99.8 Å²	99.8	57%	0.572	55%	0.552	S	S	*	*			trans	-45.3	130.2	162.5	-83.2	-59.9	0	0	0	107.8	D1044 V1048 K1114	D1044-D1046 PolarHBondContact O-N 2.64Å; D1046-V1048 PolarHBondContact O-N 3.45Å; D1046-K1114 IonicContact OD1-NZ 3.76Å; D1046-K1114 PolarHBondContact OD1-NZ 2.76Å; D1046-K1114 IonicContact OD2-NZ 2.71Å; D1046-K1114 PolarHBondContact OD2-NZ 3.23Å
1047	F	54.6	Low	61.7	Low	175 Å²	175	93.5 Å²	93.5	77%	0.768	52%	0.52	S	S	*	.			trans	-71	86.9	177.5	-170.7	-91.7	0	0	0	108.9	P1045 E1049	P1045-F1047 PolarHBondContact O-N 3.18Å; F1047-E1049 WeakPolarHBondContact CE1-OE2 2.91Å; F1047-E1049 PolarHBondContact O-N 2.67Å
1048	V	72.2	Confident	64.8	Low	63 Å²	63	94.4 Å²	94.4	38%	0.382	51%	0.51	S	S	.	.			trans	-69.1	95.9	177.2	177.7	0	0	0	0	107.8	D1046 T1050 Q1064	D1046-V1048 PolarHBondContact O-N 3.45Å; V1048-T1050 HydrophobicContact CG1-CG2 4.13Å; V1048-T1050 PolarHBondContact O-N 2.72Å; V1048-Q1064 HydrophobicContact CG1-CB 3.66Å; V1048-Q1064 HydrophobicContact CG1-CG 3.7Å
1049	E	86	Confident	67.9	Low	22 Å²	22	88.2 Å²	88.2	10%	0.103	49%	0.493	C	S	.	.			trans	-63.3	114	171.6	-176.7	73.9	-147.2	0	0	108.4	F1047 R1053 L1067 W1087 H1110	F1047-E1049 WeakPolarHBondContact CE1-OE2 2.91Å; F1047-E1049 PolarHBondContact O-N 2.67Å; E1049-R1053 VanDerWaalsContact CD-NH2 3.29Å; E1049-R1053 IonicContact OE1-CZ 3.68Å; E1049-R1053 IonicContact OE1-NE 2.67Å; E1049-R1053 PolarHBondContact OE1-NE 2.74Å; E1049-R1053 IonicContact OE1-NH2 3.87Å; E1049-R1053 PolarHBondContact OE1-NH2 2.49Å; E1049-R1053 IonicContact OE2-CZ 3.81Å; E1049-R1053 IonicContact OE2-NE 2.64Å; E1049-R1053 IonicContact OE2-NH2 2.78Å; E1049-R1053 PolarHBondContact OE2-NH2 3.28Å; E1049-L1067 WeakPolarHBondContact O-CD2 3.4Å; E1049-W1087 HydrophobicContact CG-CH2 4.39Å; E1049-W1087 HydrophobicContact CG-CZ2 3.77Å; E1049-H1110 WeakPolarHBondContact CB-O 3.34Å
1050	T	92.5	Very high	71	Confident	36 Å²	36	89 Å²	89	22%	0.221	49%	0.488	C	S	.	.			trans	-104.8	5.9	174.2	71.6	0	0	0	0	112.9	V1048 F1061	V1048-T1050 HydrophobicContact CG1-CG2 4.13Å; V1048-T1050 PolarHBondContact O-N 2.72Å; T1050-F1061 WeakPolarHBondContact CB-O 3.27Å; T1050-F1061 WeakPolarHBondContact O-CD2 3.42Å; T1050-F1061 PolarHBondContact O-N 2.88Å; T1050-F1061 PolarHBondContact OG1-O 3.42Å
1051	T	93.6	Very high	73.6	Confident	35 Å²	35	85.1 Å²	85.1	22%	0.215	46%	0.459	C	S	.	.	B	Isolated β-bridge	trans	-105.4	124.4	178.3	-55	0	0	0	0	110.2	R1053 L1059 W1087	T1051-R1053 PolarHBondContact O-N 2.85Å; T1051-L1059 CarbonylContact C-O 3.19Å; T1051-L1059 WeakPolarHBondContact CA-O 3.39Å; T1051-W1087 WeakPolarHBondContact O-CH2 3.21Å; T1051-W1087 WeakPolarHBondContact O-CZ2 3.33Å
1052	C	95.7	Very high	76.5	Confident	0 Å²	0	84.5 Å²	84.5	0%	0	46%	0.461	C	S	.	.			trans	-70.9	117.4	172.6	-170.6	0	0	0	0	110.1	C1057 T1058 L1059 F1061 L1067 H1070 H1075 W1087	C1052-C1057 HydrophobicContact CB-CB 4.42Å; C1052-C1057 CarbonylContact O-C 3.27Å; C1052-T1058 VanDerWaalsContact O-CA 3.23Å; C1052-T1058 WeakPolarHBondContact O-CA 3.32Å; C1052-T1058 PolarHBondContact O-N 3.03Å; C1052-L1059 PolarHBondContact N-O 3.25Å; C1052-F1061 HydrophobicContact CB-CE2 4.09Å; C1052-L1067 HydrophobicContact CB-CD1 3.53Å; C1052-H1070 PolarHBondContact SG-NE2 2.78Å; C1052-H1075 VanDerWaalsContact SG-CD2 3.53Å; C1052-W1087 HydrophobicContact CB-CZ3 4.44Å
1053	R	92.9	Very high	79.4	Confident	68 Å²	68	79 Å²	79	26%	0.257	44%	0.438	S	S	.	.			trans	-107	25.1	173	-46.1	-172.1	-168.4	-172.9	11.5	112.4	E1049 T1051 G1055 W1087 R1088 E1089	E1049-R1053 VanDerWaalsContact CD-NH2 3.29Å; E1049-R1053 IonicContact OE1-CZ 3.68Å; E1049-R1053 IonicContact OE1-NE 2.67Å; E1049-R1053 PolarHBondContact OE1-NE 2.74Å; E1049-R1053 IonicContact OE1-NH2 3.87Å; E1049-R1053 PolarHBondContact OE1-NH2 2.49Å; E1049-R1053 IonicContact OE2-CZ 3.81Å; E1049-R1053 IonicContact OE2-NE 2.64Å; E1049-R1053 IonicContact OE2-NH2 2.78Å; E1049-R1053 PolarHBondContact OE2-NH2 3.28Å; T1051-R1053 PolarHBondContact O-N 2.85Å; R1053-G1055 PolarHBondContact O-N 3.4Å; R1053-W1087 HydrophobicContact CB-CD2 4Å; R1053-W1087 HydrophobicContact CB-CE3 4.47Å; R1053-W1087 HydrophobicContact CB-CG 4.44Å; R1053-W1087 HydrophobicContact CB-CH2 4.43Å; R1053-W1087 HydrophobicContact CB-CZ2 3.88Å; R1053-W1087 HydrophobicContact CG-CZ2 3.81Å; R1053-W1087 VanDerWaalsContact N-CZ3 3.3Å; R1053-W1087 CarbonylContact O-C 3.24Å; R1053-W1087 WeakPolarHBondContact O-CA 3.21Å; R1053-R1088 HydrophobicContact CB-CB 4.17Å; R1053-R1088 HydrophobicContact CB-CG 4.35Å; R1053-R1088 WeakPolarHBondContact O-CG 3.22Å; R1053-R1088 PolarHBondContact O-N 3.28Å; R1053-E1089 IonicContact CZ-OE1 2.72Å; R1053-E1089 IonicContact NH1-OE1 3.36Å; R1053-E1089 PolarHBondContact NH1-OE1 2.86Å; R1053-E1089 IonicContact NH1-OE2 3.56Å; R1053-E1089 PolarHBondContact NH1-OE2 3.13Å
1054	W	92.3	Very high	82.4	Confident	12 Å²	12	78.1 Å²	78.1	5%	0.045	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-74.5	110	-178.1	-176.6	-76.9	0	0	0	111.6	D1056 C1057 L1071 H1075 V1084 L1086 W1087 L1103 M1107	W1054-D1056 PolarHBondContact O-N 3.34Å; W1054-D1056 VanDerWaalsContact O-N 3.17Å; W1054-C1057 HydrophobicContact CB-CB 4.44Å; W1054-C1057 WeakPolarHBondContact O-CB 3.25Å; W1054-C1057 PolarHBondContact O-N 3.21Å; W1054-L1071 HydrophobicContact CB-CD2 4.25Å; W1054-L1071 HydrophobicContact CD2-CD2 4.34Å; W1054-L1071 HydrophobicContact CE3-CD2 3.71Å; W1054-L1071 HydrophobicContact CZ3-CD2 4.47Å; W1054-H1075 VanDerWaalsContact CB-CD2 3.42Å; W1054-H1075 WeakPolarHBondContact CB-CD2 3.21Å; W1054-H1075 AromaticContact CD1-CD2 3.79Å; W1054-H1075 AromaticContact CD1-CE1 3.9Å; W1054-H1075 AromaticContact CD1-CG 3.46Å; W1054-H1075 VanDerWaalsContact CD1-CG 3.46Å; W1054-H1075 AromaticContact CD1-ND1 3.56Å; W1054-H1075 HydrophobicContact CD2-CB 3.68Å; W1054-H1075 HydrophobicContact CE3-CB 4.17Å; W1054-H1075 HydrophobicContact CG-CB 3.81Å; W1054-H1075 AromaticContact CG-CD2 3.56Å; W1054-H1075 AromaticContact CG-CG 3.55Å; W1054-H1075 HydrophobicContact CZ2-CB 4.37Å; W1054-H1075 AromaticContact NE1-CG 3.91Å; W1054-V1084 WeakPolarHBondContact CH2-O 3.41Å; W1054-V1084 VanDerWaalsContact CZ2-O 3.23Å; W1054-V1084 WeakPolarHBondContact CZ2-O 3.48Å; W1054-L1086 HydrophobicContact CD2-CB 4.26Å; W1054-L1086 HydrophobicContact CG-CB 4.44Å; W1054-L1086 HydrophobicContact CZ2-CB 4.23Å; W1054-L1086 HydrophobicContact CZ2-CD1 4.46Å; W1054-L1086 HydrophobicContact CZ2-CG 4.24Å; W1054-W1087 HydrophobicContact CB-CE3 4.17Å; W1054-L1103 HydrophobicContact CH2-CD1 3.98Å; W1054-L1103 HydrophobicContact CH2-CD2 3.97Å; W1054-L1103 HydrophobicContact CH2-CG 4.45Å; W1054-L1103 HydrophobicContact CZ3-CD1 4.13Å; W1054-M1107 HydrophobicContact CE3-CE 3.97Å; W1054-M1107 HydrophobicContact CE3-SD 4.05Å; W1054-M1107 HydrophobicContact CZ3-CE 4.14Å; W1054-M1107 HydrophobicContact CZ3-CG 4.16Å; W1054-M1107 HydrophobicContact CZ3-SD 3.59Å; W1054-M1107 VanDerWaalsContact CZ3-SD 3.59Å
1055	G	89.6	Confident	85.2	Confident	24 Å²	24	75.2 Å²	75.2	25%	0.247	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	-116.3	-177.4	0	0	0	0	0	110.3	R1053 L1086 R1088	R1053-G1055 PolarHBondContact O-N 3.4Å; G1055-L1086 WeakPolarHBondContact CA-O 3.29Å; G1055-L1086 PolarHBondContact N-O 2.82Å; G1055-R1088 PolarHBondContact O-NE 3.02Å; G1055-R1088 PolarHBondContact O-NH1 3.13Å; G1055-R1088 VanDerWaalsContact O-NH1 3.09Å; G1055-R1088 PolarHBondContact O-NH2 2.89Å
1056	D	89	Confident	87.8	Confident	136 Å²	136	73.8 Å²	73.8	73%	0.727	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	8.1	171.9	-78.1	-52	0	0	0	115.3	W1054 R1088	W1054-D1056 PolarHBondContact O-N 3.34Å; W1054-D1056 VanDerWaalsContact O-N 3.17Å; D1056-R1088 IonicContact OD1-CZ 2.86Å; D1056-R1088 VanDerWaalsContact OD1-CZ 3.32Å; D1056-R1088 IonicContact OD1-NH1 2.8Å; D1056-R1088 PolarHBondContact OD1-NH1 2.86Å; D1056-R1088 IonicContact OD1-NH2 3.24Å; D1056-R1088 PolarHBondContact OD1-NH2 2.86Å
1057	C	93.7	Very high	89.8	Confident	21 Å²	21	68.7 Å²	68.7	14%	0.142	36%	0.357	C	S	.	.			trans	-62.3	142.1	165.4	-161.1	0	0	0	0	110.3	C1052 W1054 H1070 H1075	C1052-C1057 HydrophobicContact CB-CB 4.42Å; C1052-C1057 CarbonylContact O-C 3.27Å; W1054-C1057 HydrophobicContact CB-CB 4.44Å; W1054-C1057 WeakPolarHBondContact O-CB 3.25Å; W1054-C1057 PolarHBondContact O-N 3.21Å; C1057-H1070 PolarHBondContact SG-NE2 3Å; C1057-H1070 VanDerWaalsContact SG-NE2 3.4Å; C1057-H1075 WeakPolarHBondContact CB-NE2 3.37Å
1058	T	93.5	Very high	91.6	Very high	99 Å²	99	62 Å²	62	61%	0.607	33%	0.33	S	S	*	.			trans	-146.1	26.1	176	58.1	0	0	0	0	110.5	C1052	C1052-T1058 VanDerWaalsContact O-CA 3.23Å; C1052-T1058 WeakPolarHBondContact O-CA 3.32Å; C1052-T1058 PolarHBondContact O-N 3.03Å
1059	L	95.8	Very high	92.7	Very high	95 Å²	95	64 Å²	64	50%	0.497	33%	0.334	S	S	.	.			trans	-69.5	129.9	178.2	-70.6	176.2	0	0	0	109.7	T1051 C1052 F1061	T1051-L1059 CarbonylContact C-O 3.19Å; T1051-L1059 WeakPolarHBondContact CA-O 3.39Å; C1052-L1059 PolarHBondContact N-O 3.25Å; L1059-F1061 HydrophobicContact CB-CE2 3.68Å; L1059-F1061 HydrophobicContact CB-CZ 3.73Å; L1059-F1061 HydrophobicContact CD1-CZ 4.21Å; L1059-F1061 WeakPolarHBondContact O-CE2 3.32Å
1060	Q	94.3	Very high	93.1	Very high	153 Å²	153	63.8 Å²	63.8	72%	0.715	33%	0.333	S	S	*	.	B	Isolated β-bridge	trans	-104	134.2	177.9	-171.9	168.6	16.8	0	0	108.9
1061	F	94.4	Very high	93.1	Very high	33 Å²	33	62.2 Å²	62.2	15%	0.145	32%	0.323	C	S	.	.			trans	-116.3	153.6	-177.8	-60.1	-86.3	0	0	0	110.4	T1050 C1052 L1059 D1063 E1066 L1067 H1070	T1050-F1061 WeakPolarHBondContact CB-O 3.27Å; T1050-F1061 WeakPolarHBondContact O-CD2 3.42Å; T1050-F1061 PolarHBondContact O-N 2.88Å; T1050-F1061 PolarHBondContact OG1-O 3.42Å; C1052-F1061 HydrophobicContact CB-CE2 4.09Å; L1059-F1061 HydrophobicContact CB-CE2 3.68Å; L1059-F1061 HydrophobicContact CB-CZ 3.73Å; L1059-F1061 HydrophobicContact CD1-CZ 4.21Å; L1059-F1061 WeakPolarHBondContact O-CE2 3.32Å; F1061-D1063 VanDerWaalsContact C-N 3.34Å; F1061-E1066 HydrophobicContact CB-CB 3.84Å; F1061-E1066 HydrophobicContact CD1-CB 3.81Å; F1061-E1066 HydrophobicContact CG-CB 4.07Å; F1061-L1067 HydrophobicContact CD2-CB 4.01Å; F1061-L1067 HydrophobicContact CD2-CD1 3.95Å; F1061-L1067 HydrophobicContact CE2-CD1 4.02Å; F1061-L1067 HydrophobicContact CG-CB 4.42Å; F1061-H1070 HydrophobicContact CE1-CB 3.97Å; F1061-H1070 HydrophobicContact CE2-CB 4.1Å; F1061-H1070 AromaticContact CE2-CD2 3.46Å; F1061-H1070 VanDerWaalsContact CE2-CD2 3.46Å; F1061-H1070 WeakPolarHBondContact CE2-CD2 3.18Å; F1061-H1070 AromaticContact CE2-CG 3.84Å; F1061-H1070 HydrophobicContact CZ-CB 3.53Å; F1061-H1070 AromaticContact CZ-CD2 3.43Å; F1061-H1070 VanDerWaalsContact CZ-CD2 3.43Å; F1061-H1070 WeakPolarHBondContact CZ-CD2 3.27Å; F1061-H1070 AromaticContact CZ-CG 3.34Å; F1061-H1070 AromaticContact CZ-ND1 3.97Å
1062	D	90.1	Very high	93	Very high	169 Å²	169	63.4 Å²	63.4	90%	0.904	33%	0.333	S	S	*	.	S	Bend	trans	-75.3	-24.6	178.8	-67.9	-36.4	0	0	0	112.2
1063	D	91.6	Very high	92.9	Very high	72 Å²	72	67.1 Å²	67.1	39%	0.385	36%	0.356	S	S	.	.	S	Bend	trans	-138.4	171.6	175.5	80	49.1	0	0	0	114.6	F1061 D1065 E1066 L1067	F1061-D1063 VanDerWaalsContact C-N 3.34Å; D1063-D1065 WeakPolarHBondContact OD1-CA 3.34Å; D1063-D1065 WeakPolarHBondContact OD1-CB 3.16Å; D1063-D1065 PolarHBondContact OD1-N 3.41Å; D1063-E1066 WeakPolarHBondContact OD1-CG 3.36Å; D1063-E1066 PolarHBondContact OD1-N 2.88Å; D1063-L1067 PolarHBondContact O-N 3.17Å
1064	Q	91.7	Very high	92.9	Very high	47 Å²	47	69.8 Å²	69.8	22%	0.22	37%	0.371	C	S	.	.	H	α-helix	trans	-73	-34.8	-177.9	-167.5	-179.9	22.2	0	0	113.4	V1048 L1067 V1068 T1111 G1112	V1048-Q1064 HydrophobicContact CG1-CB 3.66Å; V1048-Q1064 HydrophobicContact CG1-CG 3.7Å; Q1064-L1067 PolarHBondContact O-N 2.95Å; Q1064-V1068 VanDerWaalsContact O-CG2 3.28Å; Q1064-V1068 WeakPolarHBondContact O-CG2 3.21Å; Q1064-V1068 PolarHBondContact O-N 3.47Å; Q1064-T1111 PolarHBondContact NE2-O 3.33Å; Q1064-G1112 PolarHBondContact NE2-O 3.4Å
1065	D	92	Very high	92.9	Very high	96 Å²	96	70.8 Å²	70.8	51%	0.513	38%	0.376	S	S	.	.	H	α-helix	trans	-73.8	-35.6	-177.6	-78.1	-15.9	0	0	0	110.7	D1063 V1068 K1069	D1063-D1065 WeakPolarHBondContact OD1-CA 3.34Å; D1063-D1065 WeakPolarHBondContact OD1-CB 3.16Å; D1063-D1065 PolarHBondContact OD1-N 3.41Å; D1065-V1068 PolarHBondContact O-N 2.88Å; D1065-K1069 WeakPolarHBondContact O-CB 3.23Å; D1065-K1069 VanDerWaalsContact O-CD 3.29Å; D1065-K1069 WeakPolarHBondContact O-CD 3.39Å; D1065-K1069 WeakPolarHBondContact O-CE 3.26Å; D1065-K1069 WeakPolarHBondContact O-CG 3.38Å; D1065-K1069 PolarHBondContact O-N 3.4Å
1066	E	94.5	Very high	92.9	Very high	87 Å²	87	70 Å²	70	41%	0.407	37%	0.366	S	S	.	.	H	α-helix	trans	-56.3	-50.4	167	-71.1	-96	115	0	0	111.5	F1061 D1063 V1068 K1069 H1070	F1061-E1066 HydrophobicContact CB-CB 3.84Å; F1061-E1066 HydrophobicContact CD1-CB 3.81Å; F1061-E1066 HydrophobicContact CG-CB 4.07Å; D1063-E1066 WeakPolarHBondContact OD1-CG 3.36Å; D1063-E1066 PolarHBondContact OD1-N 2.88Å; E1066-V1068 PolarHBondContact O-N 3.31Å; E1066-K1069 PolarHBondContact O-N 3.45Å; E1066-K1069 IonicContact OE1-NZ 2.94Å; E1066-H1070 WeakPolarHBondContact O-CB 3.46Å; E1066-H1070 PolarHBondContact O-N 3.14Å
1067	L	94.9	Very high	92.8	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-60.5	-43.8	175.3	174.2	63.7	0	0	0	112	E1049 C1052 F1061 D1063 Q1064 H1070 L1071 W1087 T1111	E1049-L1067 WeakPolarHBondContact O-CD2 3.4Å; C1052-L1067 HydrophobicContact CB-CD1 3.53Å; F1061-L1067 HydrophobicContact CD2-CB 4.01Å; F1061-L1067 HydrophobicContact CD2-CD1 3.95Å; F1061-L1067 HydrophobicContact CE2-CD1 4.02Å; F1061-L1067 HydrophobicContact CG-CB 4.42Å; D1063-L1067 PolarHBondContact O-N 3.17Å; Q1064-L1067 PolarHBondContact O-N 2.95Å; L1067-H1070 PolarHBondContact O-N 2.83Å; L1067-L1071 HydrophobicContact CD1-CD1 4.11Å; L1067-L1071 HydrophobicContact CD1-CG 4.27Å; L1067-L1071 HydrophobicContact CG-CD1 4.09Å; L1067-L1071 WeakPolarHBondContact O-CB 3.36Å; L1067-L1071 PolarHBondContact O-N 3.28Å; L1067-W1087 HydrophobicContact CD1-CH2 4.27Å; L1067-W1087 HydrophobicContact CD2-CH2 4.18Å; L1067-T1111 HydrophobicContact CD2-CG2 3.97Å; L1067-T1111 HydrophobicContact CG-CG2 4.14Å
1068	V	93.9	Very high	91.9	Very high	33 Å²	33	67.7 Å²	67.7	20%	0.2	37%	0.373	C	S	.	.	H	α-helix	trans	-63.8	-42.5	178	168	0	0	0	0	111.3	Q1064 D1065 E1066 S1072 T1111 E1113	Q1064-V1068 VanDerWaalsContact O-CG2 3.28Å; Q1064-V1068 WeakPolarHBondContact O-CG2 3.21Å; Q1064-V1068 PolarHBondContact O-N 3.47Å; D1065-V1068 PolarHBondContact O-N 2.88Å; E1066-V1068 PolarHBondContact O-N 3.31Å; V1068-S1072 VanDerWaalsContact O-CB 3.26Å; V1068-S1072 WeakPolarHBondContact O-CB 3.5Å; V1068-S1072 PolarHBondContact O-N 3.06Å; V1068-T1111 HydrophobicContact CG2-CG2 3.83Å; V1068-E1113 HydrophobicContact CG2-CB 4.15Å; V1068-E1113 HydrophobicContact CG2-CG 4.24Å
1069	K	93.8	Very high	90.9	Very high	106 Å²	106	64.9 Å²	64.9	46%	0.461	35%	0.354	S	S	.	.	H	α-helix	trans	-59.8	-51.7	173.5	-69.8	157.8	-153.3	147	0	110.5	D1065 E1066 L1071 S1072 T1073	D1065-K1069 WeakPolarHBondContact O-CB 3.23Å; D1065-K1069 VanDerWaalsContact O-CD 3.29Å; D1065-K1069 WeakPolarHBondContact O-CD 3.39Å; D1065-K1069 WeakPolarHBondContact O-CE 3.26Å; D1065-K1069 WeakPolarHBondContact O-CG 3.38Å; D1065-K1069 PolarHBondContact O-N 3.4Å; E1066-K1069 PolarHBondContact O-N 3.45Å; E1066-K1069 IonicContact OE1-NZ 2.94Å; K1069-L1071 PolarHBondContact O-N 2.75Å; K1069-S1072 WeakPolarHBondContact O-CB 3.16Å; K1069-S1072 PolarHBondContact O-N 2.86Å; K1069-S1072 VanDerWaalsContact O-N 3.14Å; K1069-T1073 WeakPolarHBondContact O-CG2 3.12Å; K1069-T1073 PolarHBondContact O-N 2.98Å; K1069-T1073 PolarHBondContact O-OG1 3.27Å
1070	H	94.9	Very high	89.4	Confident	18 Å²	18	68.9 Å²	68.9	8%	0.083	37%	0.368	C	S	.	.	H	α-helix	trans	-58.3	-47.2	179.6	164.7	62.7	0	0	0	112.5	C1052 C1057 F1061 E1066 L1067 S1072 T1073 E1074 H1075	C1052-H1070 PolarHBondContact SG-NE2 2.78Å; C1057-H1070 PolarHBondContact SG-NE2 3Å; C1057-H1070 VanDerWaalsContact SG-NE2 3.4Å; F1061-H1070 HydrophobicContact CE1-CB 3.97Å; F1061-H1070 HydrophobicContact CE2-CB 4.1Å; F1061-H1070 AromaticContact CE2-CD2 3.46Å; F1061-H1070 VanDerWaalsContact CE2-CD2 3.46Å; F1061-H1070 WeakPolarHBondContact CE2-CD2 3.18Å; F1061-H1070 AromaticContact CE2-CG 3.84Å; F1061-H1070 HydrophobicContact CZ-CB 3.53Å; F1061-H1070 AromaticContact CZ-CD2 3.43Å; F1061-H1070 VanDerWaalsContact CZ-CD2 3.43Å; F1061-H1070 WeakPolarHBondContact CZ-CD2 3.27Å; F1061-H1070 AromaticContact CZ-CG 3.34Å; F1061-H1070 AromaticContact CZ-ND1 3.97Å; E1066-H1070 WeakPolarHBondContact O-CB 3.46Å; E1066-H1070 PolarHBondContact O-N 3.14Å; L1067-H1070 PolarHBondContact O-N 2.83Å; H1070-S1072 VanDerWaalsContact C-N 3.33Å; H1070-S1072 PolarHBondContact O-N 2.79Å; H1070-T1073 PolarHBondContact O-N 3.26Å; H1070-T1073 PolarHBondContact O-OG1 2.98Å; H1070-E1074 WeakPolarHBondContact ND1-CG 3.44Å; H1070-E1074 WeakPolarHBondContact O-CB 2.98Å; H1070-E1074 PolarHBondContact O-N 3.31Å; H1070-H1075 AromaticContact CE1-CD2 3.98Å; H1070-H1075 AromaticContact CE1-NE2 3.52Å; H1070-H1075 AromaticContact NE2-CD2 3.58Å; H1070-H1075 AromaticContact NE2-NE2 3.25Å; H1070-H1075 PolarHBondContact NE2-NE2 2.8Å
1071	L	93.3	Very high	88.1	Confident	3 Å²	3	70.9 Å²	70.9	2%	0.016	37%	0.374	C	S	.	.	I	π-helix	trans	-58.2	-46.2	173.8	-88.8	167.2	0	0	0	111.7	W1054 L1067 K1069 H1075 I1076 W1087 M1107 T1111	W1054-L1071 HydrophobicContact CB-CD2 4.25Å; W1054-L1071 HydrophobicContact CD2-CD2 4.34Å; W1054-L1071 HydrophobicContact CE3-CD2 3.71Å; W1054-L1071 HydrophobicContact CZ3-CD2 4.47Å; L1067-L1071 HydrophobicContact CD1-CD1 4.11Å; L1067-L1071 HydrophobicContact CD1-CG 4.27Å; L1067-L1071 HydrophobicContact CG-CD1 4.09Å; L1067-L1071 WeakPolarHBondContact O-CB 3.36Å; L1067-L1071 PolarHBondContact O-N 3.28Å; K1069-L1071 PolarHBondContact O-N 2.75Å; L1071-H1075 HydrophobicContact CD2-CB 4.22Å; L1071-H1075 CarbonylContact O-C 3.44Å; L1071-H1075 WeakPolarHBondContact O-CB 3.35Å; L1071-H1075 PolarHBondContact O-N 2.86Å; L1071-I1076 WeakPolarHBondContact O-CG1 3.4Å; L1071-I1076 PolarHBondContact O-N 3.02Å; L1071-W1087 HydrophobicContact CD1-CH2 4.48Å; L1071-W1087 HydrophobicContact CD1-CZ3 3.84Å; L1071-W1087 HydrophobicContact CD2-CE3 4.19Å; L1071-W1087 HydrophobicContact CD2-CZ3 3.93Å; L1071-W1087 HydrophobicContact CG-CZ3 4.23Å; L1071-M1107 HydrophobicContact CD1-CE 4.01Å; L1071-M1107 HydrophobicContact CD2-CE 3.84Å; L1071-T1111 HydrophobicContact CD1-CG2 3.31Å
1072	S	92.1	Very high	87.4	Confident	59 Å²	59	71.8 Å²	71.8	41%	0.413	39%	0.385	S	S	.	.	I	π-helix	trans	-60.8	-46.7	179.5	-168.8	0	0	0	0	112	V1068 K1069 H1070 A1077	V1068-S1072 VanDerWaalsContact O-CB 3.26Å; V1068-S1072 WeakPolarHBondContact O-CB 3.5Å; V1068-S1072 PolarHBondContact O-N 3.06Å; K1069-S1072 WeakPolarHBondContact O-CB 3.16Å; K1069-S1072 PolarHBondContact O-N 2.86Å; K1069-S1072 VanDerWaalsContact O-N 3.14Å; H1070-S1072 VanDerWaalsContact C-N 3.33Å; H1070-S1072 PolarHBondContact O-N 2.79Å; S1072-A1077 WeakPolarHBondContact O-CB 3.23Å; S1072-A1077 PolarHBondContact O-N 3.1Å
1073	T	92.7	Very high	87.4	Confident	79 Å²	79	66.2 Å²	66.2	49%	0.485	35%	0.353	S	S	.	.	I	π-helix	trans	-79.7	-55.3	-175.6	58.9	0	0	0	0	113.3	K1069 H1070	K1069-T1073 WeakPolarHBondContact O-CG2 3.12Å; K1069-T1073 PolarHBondContact O-N 2.98Å; K1069-T1073 PolarHBondContact O-OG1 3.27Å; H1070-T1073 PolarHBondContact O-N 3.26Å; H1070-T1073 PolarHBondContact O-OG1 2.98Å
1074	E	92.3	Very high	87.4	Confident	124 Å²	124	63.8 Å²	63.8	58%	0.579	34%	0.341	S	S	*	.	I	π-helix	trans	-82.5	-31	-169.6	-58.6	-48.5	119.8	0	0	113.1	H1070	H1070-E1074 WeakPolarHBondContact ND1-CG 3.44Å; H1070-E1074 WeakPolarHBondContact O-CB 2.98Å; H1070-E1074 PolarHBondContact O-N 3.31Å
1075	H	91.9	Very high	87.5	Confident	33 Å²	33	61.6 Å²	61.6	15%	0.153	33%	0.33	C	S	.	.	I	π-helix	trans	-115.4	-34.7	-166.1	-66.9	-29.1	0	0	0	114.3	C1052 W1054 C1057 H1070 L1071 N1079	C1052-H1075 VanDerWaalsContact SG-CD2 3.53Å; W1054-H1075 VanDerWaalsContact CB-CD2 3.42Å; W1054-H1075 WeakPolarHBondContact CB-CD2 3.21Å; W1054-H1075 AromaticContact CD1-CD2 3.79Å; W1054-H1075 AromaticContact CD1-CE1 3.9Å; W1054-H1075 AromaticContact CD1-CG 3.46Å; W1054-H1075 VanDerWaalsContact CD1-CG 3.46Å; W1054-H1075 AromaticContact CD1-ND1 3.56Å; W1054-H1075 HydrophobicContact CD2-CB 3.68Å; W1054-H1075 HydrophobicContact CE3-CB 4.17Å; W1054-H1075 HydrophobicContact CG-CB 3.81Å; W1054-H1075 AromaticContact CG-CD2 3.56Å; W1054-H1075 AromaticContact CG-CG 3.55Å; W1054-H1075 HydrophobicContact CZ2-CB 4.37Å; W1054-H1075 AromaticContact NE1-CG 3.91Å; C1057-H1075 WeakPolarHBondContact CB-NE2 3.37Å; H1070-H1075 AromaticContact CE1-CD2 3.98Å; H1070-H1075 AromaticContact CE1-NE2 3.52Å; H1070-H1075 AromaticContact NE2-CD2 3.58Å; H1070-H1075 AromaticContact NE2-NE2 3.25Å; H1070-H1075 PolarHBondContact NE2-NE2 2.8Å; L1071-H1075 HydrophobicContact CD2-CB 4.22Å; L1071-H1075 CarbonylContact O-C 3.44Å; L1071-H1075 WeakPolarHBondContact O-CB 3.35Å; L1071-H1075 PolarHBondContact O-N 2.86Å; H1075-N1079 WeakPolarHBondContact O-CB 3.47Å
1076	I	89.9	Confident	87.6	Confident	7 Å²	7	60.6 Å²	60.6	4%	0.036	33%	0.325	C	S	.	.	I	π-helix	trans	-93	-52.8	178.7	-58.6	172.6	0	0	0	111	L1071 G1078 N1079 Q1100 L1103 V1104 M1107	L1071-I1076 WeakPolarHBondContact O-CG1 3.4Å; L1071-I1076 PolarHBondContact O-N 3.02Å; I1076-G1078 VanDerWaalsContact C-N 3.34Å; I1076-G1078 PolarHBondContact O-N 3.43Å; I1076-N1079 PolarHBondContact O-N 3.41Å; I1076-Q1100 HydrophobicContact CG2-CG 3.69Å; I1076-L1103 HydrophobicContact CG1-CD2 4.32Å; I1076-L1103 HydrophobicContact CG1-CG 4.44Å; I1076-L1103 HydrophobicContact CG2-CD2 4.22Å; I1076-V1104 HydrophobicContact CD1-CG2 4.06Å; I1076-V1104 HydrophobicContact CG2-CG2 3.9Å; I1076-M1107 HydrophobicContact CD1-CB 4.33Å; I1076-M1107 HydrophobicContact CD1-CG 3.86Å; I1076-M1107 HydrophobicContact CG1-CG 4.49Å
1077	A	87.1	Confident	87.6	Confident	46 Å²	46	57.1 Å²	57.1	38%	0.38	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-28.8	-175.2	0	0	0	0	0	114	S1072 N1079	S1072-A1077 WeakPolarHBondContact O-CB 3.23Å; S1072-A1077 PolarHBondContact O-N 3.1Å; A1077-N1079 VanDerWaalsContact C-N 3.34Å
1078	G	75.2	Confident	87.3	Confident	62 Å²	62	61.7 Å²	61.7	64%	0.639	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-26.4	173.8	0	0	0	0	0	114.1	I1076 K1080	I1076-G1078 VanDerWaalsContact C-N 3.34Å; I1076-G1078 PolarHBondContact O-N 3.43Å; G1078-K1080 VanDerWaalsContact C-N 3.27Å; G1078-K1080 PolarHBondContact O-N 3.04Å
1079	N	71.4	Confident	86.9	Confident	40 Å²	40	67.3 Å²	67.3	21%	0.214	35%	0.349	C	S	.	.			trans	-89.4	45.1	-161.6	-135.1	-27.3	0	0	0	114.4	H1075 I1076 A1077 K1081 S1082	H1075-N1079 WeakPolarHBondContact O-CB 3.47Å; I1076-N1079 PolarHBondContact O-N 3.41Å; A1077-N1079 VanDerWaalsContact C-N 3.34Å; N1079-K1081 PolarHBondContact O-N 2.84Å; N1079-S1082 CarbonylContact O-C 2.73Å; N1079-S1082 PolarHBondContact O-N 2.73Å; N1079-S1082 VanDerWaalsContact O-N 3.15Å; N1079-S1082 PolarHBondContact OD1-O 3.18Å; N1079-S1082 PolarHBondContact OD1-OG 2.88Å
1080	K	64.9	Low	86.7	Confident	179 Å²	179	63.1 Å²	63.1	78%	0.778	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.3	-171.9	-66.3	-171.5	176.6	-174.5	0	116.1	G1078	G1078-K1080 VanDerWaalsContact C-N 3.27Å; G1078-K1080 PolarHBondContact O-N 3.04Å
1081	K	66.8	Low	86.2	Confident	195 Å²	195	66.7 Å²	66.7	85%	0.848	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-16.4	-179.9	-69.5	-167	174.8	-170	0	114.3	N1079	N1079-K1081 PolarHBondContact O-N 2.84Å
1082	S	80.1	Confident	85.5	Confident	53 Å²	53	70.4 Å²	70.4	37%	0.371	37%	0.37	S	S	.	.			trans	-160.3	108.3	-178	52.8	0	0	0	0	111.2	N1079 V1084	N1079-S1082 CarbonylContact O-C 2.73Å; N1079-S1082 PolarHBondContact O-N 2.73Å; N1079-S1082 VanDerWaalsContact O-N 3.15Å; N1079-S1082 PolarHBondContact OD1-O 3.18Å; N1079-S1082 PolarHBondContact OD1-OG 2.88Å; S1082-V1084 PolarHBondContact O-N 2.25Å
1083	F	90.7	Very high	84.3	Confident	51 Å²	51	68.5 Å²	68.5	22%	0.224	36%	0.359	C	S	.	.			trans	-77.3	60.4	172.5	-47.3	-59.2	0	0	0	110.6	F1097 Q1100 L1103	F1083-F1097 HydrophobicContact CB-CB 4.15Å; F1083-F1097 WeakPolarHBondContact O-CB 3.49Å; F1083-F1097 VanDerWaalsContact O-CD2 3.31Å; F1083-F1097 WeakPolarHBondContact O-CD2 3.44Å; F1083-F1097 PolarHBondContact O-N 2.83Å; F1083-Q1100 HydrophobicContact CD1-CB 3.84Å; F1083-Q1100 HydrophobicContact CD1-CG 4.21Å; F1083-Q1100 HydrophobicContact CE1-CB 3.53Å; F1083-Q1100 HydrophobicContact CE1-CG 4.03Å; F1083-Q1100 HydrophobicContact CZ-CB 3.96Å; F1083-L1103 HydrophobicContact CB-CB 4.24Å; F1083-L1103 HydrophobicContact CB-CD2 4.06Å
1084	V	91.4	Very high	83.4	Confident	22 Å²	22	70.6 Å²	70.6	13%	0.133	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-94.3	133.7	174.7	179.1	0	0	0	0	108.4	W1054 S1082 L1086 P1096	W1054-V1084 WeakPolarHBondContact CH2-O 3.41Å; W1054-V1084 VanDerWaalsContact CZ2-O 3.23Å; W1054-V1084 WeakPolarHBondContact CZ2-O 3.48Å; S1082-V1084 PolarHBondContact O-N 2.25Å; V1084-L1086 HydrophobicContact CB-CD2 4.47Å; V1084-L1086 HydrophobicContact CG1-CD2 3.77Å; V1084-L1086 HydrophobicContact CG1-CG 4.39Å; V1084-L1086 PolarHBondContact O-N 3.46Å; V1084-P1096 HydrophobicContact CG2-CB 3.84Å
1085	C	94.3	Very high	83.1	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.377	C	S	.	.			trans	-75.8	121.3	166.3	179.2	0	0	0	0	108.6	W1087 G1093 F1097 L1103 H1106 M1107	C1085-W1087 VanDerWaalsContact SG-CB 3.55Å; C1085-G1093 CarbonylContact O-C 3.44Å; C1085-G1093 VanDerWaalsContact O-C 3.31Å; C1085-G1093 VanDerWaalsContact O-CA 3.22Å; C1085-G1093 WeakPolarHBondContact O-CA 3.42Å; C1085-F1097 HydrophobicContact CB-CE2 3.85Å; C1085-L1103 HydrophobicContact CB-CD1 3.84Å; C1085-H1106 PolarHBondContact SG-NE2 2.48Å; C1085-M1107 HydrophobicContact CB-SD 4.4Å
1086	L	93.4	Very high	83	Confident	76 Å²	76	76.1 Å²	76.1	40%	0.398	40%	0.398	S	S	.	.			trans	-104.1	12.7	177.4	-61.6	175.5	0	0	0	112.7	W1054 G1055 V1084 R1088	W1054-L1086 HydrophobicContact CD2-CB 4.26Å; W1054-L1086 HydrophobicContact CG-CB 4.44Å; W1054-L1086 HydrophobicContact CZ2-CB 4.23Å; W1054-L1086 HydrophobicContact CZ2-CD1 4.46Å; W1054-L1086 HydrophobicContact CZ2-CG 4.24Å; G1055-L1086 WeakPolarHBondContact CA-O 3.29Å; G1055-L1086 PolarHBondContact N-O 2.82Å; V1084-L1086 HydrophobicContact CB-CD2 4.47Å; V1084-L1086 HydrophobicContact CG1-CD2 3.77Å; V1084-L1086 HydrophobicContact CG1-CG 4.39Å; V1084-L1086 PolarHBondContact O-N 3.46Å; L1086-R1088 PolarHBondContact O-N 3.15Å
1087	W	93.6	Very high	83.1	Confident	14 Å²	14	77.1 Å²	77.1	5%	0.053	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-60.3	126.2	-179.8	-164	-91.5	0	0	0	111.2	E1049 T1051 C1052 R1053 W1054 L1067 L1071 C1085 C1090 M1107 H1110	E1049-W1087 HydrophobicContact CG-CH2 4.39Å; E1049-W1087 HydrophobicContact CG-CZ2 3.77Å; T1051-W1087 WeakPolarHBondContact O-CH2 3.21Å; T1051-W1087 WeakPolarHBondContact O-CZ2 3.33Å; C1052-W1087 HydrophobicContact CB-CZ3 4.44Å; R1053-W1087 HydrophobicContact CB-CD2 4Å; R1053-W1087 HydrophobicContact CB-CE3 4.47Å; R1053-W1087 HydrophobicContact CB-CG 4.44Å; R1053-W1087 HydrophobicContact CB-CH2 4.43Å; R1053-W1087 HydrophobicContact CB-CZ2 3.88Å; R1053-W1087 HydrophobicContact CG-CZ2 3.81Å; R1053-W1087 VanDerWaalsContact N-CZ3 3.3Å; R1053-W1087 CarbonylContact O-C 3.24Å; R1053-W1087 WeakPolarHBondContact O-CA 3.21Å; W1054-W1087 HydrophobicContact CB-CE3 4.17Å; L1067-W1087 HydrophobicContact CD1-CH2 4.27Å; L1067-W1087 HydrophobicContact CD2-CH2 4.18Å; L1071-W1087 HydrophobicContact CD1-CH2 4.48Å; L1071-W1087 HydrophobicContact CD1-CZ3 3.84Å; L1071-W1087 HydrophobicContact CD2-CE3 4.19Å; L1071-W1087 HydrophobicContact CD2-CZ3 3.93Å; L1071-W1087 HydrophobicContact CG-CZ3 4.23Å; C1085-W1087 VanDerWaalsContact SG-CB 3.55Å; W1087-C1090 HydrophobicContact CB-CB 4.12Å; W1087-C1090 WeakPolarHBondContact O-CB 3.4Å; W1087-C1090 PolarHBondContact O-N 3.33Å; W1087-C1090 VanDerWaalsContact O-N 3.08Å; W1087-M1107 HydrophobicContact CB-CE 4.27Å; W1087-M1107 HydrophobicContact CD2-CE 4.03Å; W1087-M1107 HydrophobicContact CE3-CE 3.54Å; W1087-M1107 HydrophobicContact CG-CE 4.37Å; W1087-M1107 HydrophobicContact CZ3-CE 4.16Å; W1087-H1110 AromaticContact CD1-CE1 3.7Å; W1087-H1110 AromaticContact CD1-CG 3.6Å; W1087-H1110 AromaticContact CD1-ND1 3.23Å; W1087-H1110 HydrophobicContact CD2-CB 3.9Å; W1087-H1110 HydrophobicContact CE3-CB 4.44Å; W1087-H1110 HydrophobicContact CG-CB 4.12Å; W1087-H1110 AromaticContact CG-CG 3.7Å; W1087-H1110 AromaticContact CG-ND1 3.77Å; W1087-H1110 HydrophobicContact CZ2-CB 4.21Å; W1087-H1110 AromaticContact NE1-CG 3.9Å; W1087-H1110 AromaticContact NE1-ND1 3.65Å
1088	R	88.6	Confident	83.3	Confident	96 Å²	96	84.1 Å²	84.1	36%	0.362	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	147.7	175.6	-58.4	-171.2	-147.2	-97.1	12.7	109.7	R1053 G1055 D1056 L1086 C1090	R1053-R1088 HydrophobicContact CB-CB 4.17Å; R1053-R1088 HydrophobicContact CB-CG 4.35Å; R1053-R1088 WeakPolarHBondContact O-CG 3.22Å; R1053-R1088 PolarHBondContact O-N 3.28Å; G1055-R1088 PolarHBondContact O-NE 3.02Å; G1055-R1088 PolarHBondContact O-NH1 3.13Å; G1055-R1088 VanDerWaalsContact O-NH1 3.09Å; G1055-R1088 PolarHBondContact O-NH2 2.89Å; D1056-R1088 IonicContact OD1-CZ 2.86Å; D1056-R1088 VanDerWaalsContact OD1-CZ 3.32Å; D1056-R1088 IonicContact OD1-NH1 2.8Å; D1056-R1088 PolarHBondContact OD1-NH1 2.86Å; D1056-R1088 IonicContact OD1-NH2 3.24Å; D1056-R1088 PolarHBondContact OD1-NH2 2.86Å; L1086-R1088 PolarHBondContact O-N 3.15Å; R1088-C1090 PolarHBondContact O-N 3.15Å
1089	E	85.3	Confident	84.1	Confident	150 Å²	150	82.4 Å²	82.4	70%	0.701	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	-2.7	-174.5	-53.7	136.7	-107.1	0	0	115	R1053 V1091	R1053-E1089 IonicContact CZ-OE1 2.72Å; R1053-E1089 IonicContact NH1-OE1 3.36Å; R1053-E1089 PolarHBondContact NH1-OE1 2.86Å; R1053-E1089 IonicContact NH1-OE2 3.56Å; R1053-E1089 PolarHBondContact NH1-OE2 3.13Å; E1089-V1091 PolarHBondContact O-N 2.96Å
1090	C	91.1	Very high	85.1	Confident	19 Å²	19	84.7 Å²	84.7	13%	0.128	41%	0.413	C	S	.	.			trans	-71.1	118.2	172.4	-172.7	0	0	0	0	111.7	W1087 R1088 R1092 G1093 H1106 H1110	W1087-C1090 HydrophobicContact CB-CB 4.12Å; W1087-C1090 WeakPolarHBondContact O-CB 3.4Å; W1087-C1090 PolarHBondContact O-N 3.33Å; W1087-C1090 VanDerWaalsContact O-N 3.08Å; R1088-C1090 PolarHBondContact O-N 3.15Å; C1090-R1092 PolarHBondContact O-N 3.45Å; C1090-R1092 PolarHBondContact SG-N 3.5Å; C1090-R1092 VanDerWaalsContact SG-N 3.4Å; C1090-G1093 VanDerWaalsContact O-CA 3.31Å; C1090-G1093 WeakPolarHBondContact O-CA 3.48Å; C1090-G1093 PolarHBondContact O-N 2.84Å; C1090-H1106 PolarHBondContact SG-NE2 3.17Å; C1090-H1110 VanDerWaalsContact SG-CE1 3.57Å; C1090-H1110 PolarHBondContact SG-NE2 3.03Å; C1090-H1110 VanDerWaalsContact SG-NE2 3.4Å
1091	V	84.3	Confident	86.4	Confident	93 Å²	93	83.5 Å²	83.5	56%	0.564	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.3	174.1	-174.4	0	0	0	0	112.3	P1025 E1089 G1093	P1025-V1091 HydrophobicContact CB-CB 4.28Å; P1025-V1091 HydrophobicContact CB-CG1 3.79Å; P1025-V1091 HydrophobicContact CB-CG2 3.63Å; P1025-V1091 HydrophobicContact CG-CG1 4.11Å; E1089-V1091 PolarHBondContact O-N 2.96Å; V1091-G1093 PolarHBondContact O-N 3.37Å
1092	R	78.3	Confident	87.7	Confident	81 Å²	81	77.6 Å²	77.6	31%	0.306	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	9.5	174.1	-60.3	-173.7	-179	-175	1.7	113.2	C1090 T1094 R1095 F1097	C1090-R1092 PolarHBondContact O-N 3.45Å; C1090-R1092 PolarHBondContact SG-N 3.5Å; C1090-R1092 VanDerWaalsContact SG-N 3.4Å; R1092-T1094 PolarHBondContact O-N 2.89Å; R1092-R1095 PolarHBondContact O-N 2.87Å; R1092-F1097 HydrophobicContact CB-CZ 4.47Å
1093	G	67.9	Low	88.5	Confident	19 Å²	19	75 Å²	75	20%	0.196	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	0.2	-167.4	0	0	0	0	0	118	C1085 C1090 V1091	C1085-G1093 CarbonylContact O-C 3.44Å; C1085-G1093 VanDerWaalsContact O-C 3.31Å; C1085-G1093 VanDerWaalsContact O-CA 3.22Å; C1085-G1093 WeakPolarHBondContact O-CA 3.42Å; C1090-G1093 VanDerWaalsContact O-CA 3.31Å; C1090-G1093 WeakPolarHBondContact O-CA 3.48Å; C1090-G1093 PolarHBondContact O-N 2.84Å; V1091-G1093 PolarHBondContact O-N 3.37Å
1094	T	73.2	Confident	88.6	Confident	122 Å²	122	74.9 Å²	74.9	75%	0.748	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.2	-7.6	176.5	57.7	0	0	0	0	113.4	R1092	R1092-T1094 PolarHBondContact O-N 2.89Å
1095	R	85.4	Confident	88.8	Confident	181 Å²	181	76 Å²	76	68%	0.683	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-92.6	123	-174.8	-76.2	-175.9	168.6	173.5	-2.5	110.8	R1092	R1092-R1095 PolarHBondContact O-N 2.87Å
1096	P	89.8	Confident	88.8	Confident	92 Å²	92	76.9 Å²	76.9	60%	0.597	38%	0.377	S	S	*	.	B	Isolated β-bridge	trans	-71	131.7	176	28	-33.2	0	0	0	111.2	V1084	V1084-P1096 HydrophobicContact CG2-CB 3.84Å
1097	F	92.5	Very high	88.8	Confident	28 Å²	28	73.5 Å²	73.5	12%	0.123	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-73.9	145.9	167.2	-68.4	-91.1	0	0	0	109.9	F1083 C1085 R1092 A1099 M1102 L1103 H1106	F1083-F1097 HydrophobicContact CB-CB 4.15Å; F1083-F1097 WeakPolarHBondContact O-CB 3.49Å; F1083-F1097 VanDerWaalsContact O-CD2 3.31Å; F1083-F1097 WeakPolarHBondContact O-CD2 3.44Å; F1083-F1097 PolarHBondContact O-N 2.83Å; C1085-F1097 HydrophobicContact CB-CE2 3.85Å; R1092-F1097 HydrophobicContact CB-CZ 4.47Å; F1097-A1099 PolarHBondContact O-N 3.28Å; F1097-M1102 HydrophobicContact CB-CB 4.09Å; F1097-M1102 HydrophobicContact CD1-CB 3.87Å; F1097-M1102 HydrophobicContact CG-CB 4.38Å; F1097-L1103 HydrophobicContact CB-CB 4.3Å; F1097-L1103 HydrophobicContact CD2-CB 4.23Å; F1097-L1103 HydrophobicContact CD2-CD1 3.98Å; F1097-L1103 HydrophobicContact CE2-CD1 4.15Å; F1097-L1103 HydrophobicContact CG-CB 4.29Å; F1097-H1106 HydrophobicContact CE1-CB 3.69Å; F1097-H1106 AromaticContact CE1-CG 3.89Å; F1097-H1106 HydrophobicContact CE2-CB 4.29Å; F1097-H1106 AromaticContact CE2-CD2 3.65Å; F1097-H1106 AromaticContact CE2-CG 3.96Å; F1097-H1106 HydrophobicContact CZ-CB 3.55Å; F1097-H1106 AromaticContact CZ-CD2 3.4Å; F1097-H1106 VanDerWaalsContact CZ-CD2 3.4Å; F1097-H1106 WeakPolarHBondContact CZ-CD2 3.4Å; F1097-H1106 AromaticContact CZ-CG 3.26Å; F1097-H1106 AromaticContact CZ-ND1 3.77Å; F1097-H1106 AromaticContact CZ-NE2 3.95Å
1098	K	90.4	Very high	88.9	Confident	194 Å²	194	74.8 Å²	74.8	84%	0.843	37%	0.365	S	S	*	.	S	Bend	trans	-69	-18.1	-176.7	-63.6	-172.4	177.9	-173.6	0	113.9	M1102	K1098-M1102 HydrophobicContact CB-SD 4.2Å
1099	A	91.9	Very high	89.1	Confident	25 Å²	25	75.1 Å²	75.1	21%	0.207	37%	0.366	C	S	.	.	S	Bend	trans	-156.9	154.3	-179	0	0	0	0	0	111.7	F1097 Y1101 M1102 L1103	F1097-A1099 PolarHBondContact O-N 3.28Å; A1099-Y1101 VanDerWaalsContact C-N 3.27Å; A1099-Y1101 HydrophobicContact CB-CD1 3.56Å; A1099-Y1101 HydrophobicContact CB-CE1 3.52Å; A1099-Y1101 PolarHBondContact O-N 3.07Å; A1099-M1102 WeakPolarHBondContact O-CB 3.08Å; A1099-M1102 PolarHBondContact O-N 2.81Å; A1099-L1103 PolarHBondContact O-N 3.17Å
1100	Q	93.4	Very high	89.5	Confident	88 Å²	88	69.4 Å²	69.4	41%	0.411	34%	0.339	S	S	.	.	H	α-helix	trans	-54	-40.2	179.2	-166.7	178.4	-17.1	0	0	112.9	I1076 F1083 M1102 L1103 V1104	I1076-Q1100 HydrophobicContact CG2-CG 3.69Å; F1083-Q1100 HydrophobicContact CD1-CB 3.84Å; F1083-Q1100 HydrophobicContact CD1-CG 4.21Å; F1083-Q1100 HydrophobicContact CE1-CB 3.53Å; F1083-Q1100 HydrophobicContact CE1-CG 4.03Å; F1083-Q1100 HydrophobicContact CZ-CB 3.96Å; Q1100-M1102 VanDerWaalsContact C-N 3.29Å; Q1100-M1102 PolarHBondContact O-N 3.35Å; Q1100-L1103 WeakPolarHBondContact O-CB 2.89Å; Q1100-L1103 PolarHBondContact O-N 3.26Å; Q1100-L1103 VanDerWaalsContact O-N 3.14Å; Q1100-V1104 WeakPolarHBondContact O-CG2 3.41Å; Q1100-V1104 PolarHBondContact O-N 3.24Å
1101	Y	92.7	Very high	89.6	Confident	154 Å²	154	68.6 Å²	68.6	60%	0.604	33%	0.334	S	S	*	.	H	α-helix	trans	-65.4	-31.8	-179.4	80.5	-94.1	0	0	0	112.7	A1099 L1103 V1104 V1105	A1099-Y1101 VanDerWaalsContact C-N 3.27Å; A1099-Y1101 HydrophobicContact CB-CD1 3.56Å; A1099-Y1101 HydrophobicContact CB-CE1 3.52Å; A1099-Y1101 PolarHBondContact O-N 3.07Å; Y1101-L1103 VanDerWaalsContact C-N 3.34Å; Y1101-V1104 PolarHBondContact O-N 3.01Å; Y1101-V1105 WeakPolarHBondContact O-CB 3.39Å; Y1101-V1105 WeakPolarHBondContact O-CG2 3.49Å; Y1101-V1105 PolarHBondContact O-N 3.29Å
1102	M	94.5	Very high	90.1	Very high	71 Å²	71	65.5 Å²	65.5	35%	0.35	32%	0.32	S	S	.	.	H	α-helix	trans	-69.4	-36.1	175.2	-67.6	-171.6	171.8	0	0	111.2	F1097 K1098 A1099 Q1100 H1106	F1097-M1102 HydrophobicContact CB-CB 4.09Å; F1097-M1102 HydrophobicContact CD1-CB 3.87Å; F1097-M1102 HydrophobicContact CG-CB 4.38Å; K1098-M1102 HydrophobicContact CB-SD 4.2Å; A1099-M1102 WeakPolarHBondContact O-CB 3.08Å; A1099-M1102 PolarHBondContact O-N 2.81Å; Q1100-M1102 VanDerWaalsContact C-N 3.29Å; Q1100-M1102 PolarHBondContact O-N 3.35Å; M1102-H1106 VanDerWaalsContact O-CB 3.27Å; M1102-H1106 WeakPolarHBondContact O-CB 3.35Å; M1102-H1106 PolarHBondContact O-N 2.94Å
1103	L	95.2	Very high	90.9	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66	-44.4	171.9	174.2	61.6	0	0	0	111.1	W1054 I1076 F1083 C1085 F1097 A1099 Q1100 Y1101 H1106 M1107	W1054-L1103 HydrophobicContact CH2-CD1 3.98Å; W1054-L1103 HydrophobicContact CH2-CD2 3.97Å; W1054-L1103 HydrophobicContact CH2-CG 4.45Å; W1054-L1103 HydrophobicContact CZ3-CD1 4.13Å; I1076-L1103 HydrophobicContact CG1-CD2 4.32Å; I1076-L1103 HydrophobicContact CG1-CG 4.44Å; I1076-L1103 HydrophobicContact CG2-CD2 4.22Å; F1083-L1103 HydrophobicContact CB-CB 4.24Å; F1083-L1103 HydrophobicContact CB-CD2 4.06Å; C1085-L1103 HydrophobicContact CB-CD1 3.84Å; F1097-L1103 HydrophobicContact CB-CB 4.3Å; F1097-L1103 HydrophobicContact CD2-CB 4.23Å; F1097-L1103 HydrophobicContact CD2-CD1 3.98Å; F1097-L1103 HydrophobicContact CE2-CD1 4.15Å; F1097-L1103 HydrophobicContact CG-CB 4.29Å; A1099-L1103 PolarHBondContact O-N 3.17Å; Q1100-L1103 WeakPolarHBondContact O-CB 2.89Å; Q1100-L1103 PolarHBondContact O-N 3.26Å; Q1100-L1103 VanDerWaalsContact O-N 3.14Å; Y1101-L1103 VanDerWaalsContact C-N 3.34Å; L1103-H1106 CarbonylContact O-C 3.43Å; L1103-H1106 WeakPolarHBondContact O-CB 2.95Å; L1103-H1106 PolarHBondContact O-N 3.39Å; L1103-M1107 HydrophobicContact CD1-CG 4.18Å; L1103-M1107 HydrophobicContact CD1-SD 4.19Å; L1103-M1107 WeakPolarHBondContact O-CG 3.27Å; L1103-M1107 PolarHBondContact O-N 2.92Å
1104	V	94.4	Very high	92.2	Very high	48 Å²	48	65.8 Å²	65.8	29%	0.291	32%	0.319	S	S	.	.	H	α-helix	trans	-58.1	-50.5	174.8	173.3	0	0	0	0	111.2	I1076 Q1100 Y1101 H1106 M1107 R1108	I1076-V1104 HydrophobicContact CD1-CG2 4.06Å; I1076-V1104 HydrophobicContact CG2-CG2 3.9Å; Q1100-V1104 WeakPolarHBondContact O-CG2 3.41Å; Q1100-V1104 PolarHBondContact O-N 3.24Å; Y1101-V1104 PolarHBondContact O-N 3.01Å; V1104-H1106 VanDerWaalsContact C-N 3.26Å; V1104-H1106 PolarHBondContact O-N 3.43Å; V1104-M1107 PolarHBondContact O-N 2.74Å; V1104-M1107 VanDerWaalsContact O-N 3.1Å; V1104-R1108 PolarHBondContact O-N 3.09Å
1105	V	94.8	Very high	93.2	Very high	46 Å²	46	62.8 Å²	62.8	28%	0.279	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-32.7	177.8	171.5	0	0	0	0	111.8	Y1101 R1108 R1129	Y1101-V1105 WeakPolarHBondContact O-CB 3.39Å; Y1101-V1105 WeakPolarHBondContact O-CG2 3.49Å; Y1101-V1105 PolarHBondContact O-N 3.29Å; V1105-R1108 WeakPolarHBondContact O-CB 3.43Å; V1105-R1129 HydrophobicContact CG1-CG 4.05Å
1106	H	94	Very high	93.7	Very high	17 Å²	17	57.2 Å²	57.2	8%	0.079	28%	0.283	C	S	.	.	H	α-helix	trans	-69.3	-39.1	171.9	172.4	66.1	0	0	0	112.9	C1085 C1090 F1097 M1102 L1103 V1104 R1108 R1109 H1110	C1085-H1106 PolarHBondContact SG-NE2 2.48Å; C1090-H1106 PolarHBondContact SG-NE2 3.17Å; F1097-H1106 HydrophobicContact CE1-CB 3.69Å; F1097-H1106 AromaticContact CE1-CG 3.89Å; F1097-H1106 HydrophobicContact CE2-CB 4.29Å; F1097-H1106 AromaticContact CE2-CD2 3.65Å; F1097-H1106 AromaticContact CE2-CG 3.96Å; F1097-H1106 HydrophobicContact CZ-CB 3.55Å; F1097-H1106 AromaticContact CZ-CD2 3.4Å; F1097-H1106 VanDerWaalsContact CZ-CD2 3.4Å; F1097-H1106 WeakPolarHBondContact CZ-CD2 3.4Å; F1097-H1106 AromaticContact CZ-CG 3.26Å; F1097-H1106 AromaticContact CZ-ND1 3.77Å; F1097-H1106 AromaticContact CZ-NE2 3.95Å; M1102-H1106 VanDerWaalsContact O-CB 3.27Å; M1102-H1106 WeakPolarHBondContact O-CB 3.35Å; M1102-H1106 PolarHBondContact O-N 2.94Å; L1103-H1106 CarbonylContact O-C 3.43Å; L1103-H1106 WeakPolarHBondContact O-CB 2.95Å; L1103-H1106 PolarHBondContact O-N 3.39Å; V1104-H1106 VanDerWaalsContact C-N 3.26Å; V1104-H1106 PolarHBondContact O-N 3.43Å; H1106-R1108 PolarHBondContact O-N 2.89Å; H1106-R1109 VanDerWaalsContact O-CB 3.28Å; H1106-R1109 WeakPolarHBondContact O-CB 3.47Å; H1106-R1109 PolarHBondContact O-N 2.86Å; H1106-H1110 AromaticContact CD2-NE2 3.91Å; H1106-H1110 AromaticContact CE1-NE2 3.42Å; H1106-H1110 PolarHBondContact CE1-NE2 3.42Å; H1106-H1110 AromaticContact NE2-CD2 3.72Å; H1106-H1110 AromaticContact NE2-NE2 3.03Å; H1106-H1110 PolarHBondContact NE2-NE2 3.4Å
1107	M	94.6	Very high	94	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.03	27%	0.273	C	S	.	.	H	α-helix	trans	-63.5	-24.1	179.7	-70.9	-41.5	-61.4	0	0	113.4	W1054 L1071 I1076 C1085 W1087 L1103 V1104 R1109 H1110 T1111	W1054-M1107 HydrophobicContact CE3-CE 3.97Å; W1054-M1107 HydrophobicContact CE3-SD 4.05Å; W1054-M1107 HydrophobicContact CZ3-CE 4.14Å; W1054-M1107 HydrophobicContact CZ3-CG 4.16Å; W1054-M1107 HydrophobicContact CZ3-SD 3.59Å; W1054-M1107 VanDerWaalsContact CZ3-SD 3.59Å; L1071-M1107 HydrophobicContact CD1-CE 4.01Å; L1071-M1107 HydrophobicContact CD2-CE 3.84Å; I1076-M1107 HydrophobicContact CD1-CB 4.33Å; I1076-M1107 HydrophobicContact CD1-CG 3.86Å; I1076-M1107 HydrophobicContact CG1-CG 4.49Å; C1085-M1107 HydrophobicContact CB-SD 4.4Å; W1087-M1107 HydrophobicContact CB-CE 4.27Å; W1087-M1107 HydrophobicContact CD2-CE 4.03Å; W1087-M1107 HydrophobicContact CE3-CE 3.54Å; W1087-M1107 HydrophobicContact CG-CE 4.37Å; W1087-M1107 HydrophobicContact CZ3-CE 4.16Å; L1103-M1107 HydrophobicContact CD1-CG 4.18Å; L1103-M1107 HydrophobicContact CD1-SD 4.19Å; L1103-M1107 WeakPolarHBondContact O-CG 3.27Å; L1103-M1107 PolarHBondContact O-N 2.92Å; V1104-M1107 PolarHBondContact O-N 2.74Å; V1104-M1107 VanDerWaalsContact O-N 3.1Å; M1107-R1109 PolarHBondContact O-N 2.88Å; M1107-H1110 HydrophobicContact CE-CB 3.84Å; M1107-H1110 VanDerWaalsContact CE-CD2 3.5Å; M1107-H1110 WeakPolarHBondContact CE-CD2 3.17Å; M1107-H1110 PolarHBondContact O-N 3.05Å; M1107-T1111 PolarHBondContact O-N 2.93Å; M1107-T1111 PolarHBondContact O-OG1 3.17Å
1108	R	95	Very high	94.2	Very high	41 Å²	41	55.9 Å²	55.9	16%	0.155	27%	0.267	C	S	.	.	H	α-helix	trans	-57.4	-25	169.4	-61.3	-164.8	161.8	148.6	0.1	114.3	V1104 V1105 H1106 G1112 E1113 H1116 S1128	V1104-R1108 PolarHBondContact O-N 3.09Å; V1105-R1108 WeakPolarHBondContact O-CB 3.43Å; H1106-R1108 PolarHBondContact O-N 2.89Å; R1108-G1112 CarbonylContact O-C 3.03Å; R1108-G1112 VanDerWaalsContact O-CA 3.28Å; R1108-G1112 WeakPolarHBondContact O-CA 3.42Å; R1108-G1112 PolarHBondContact O-N 2.96Å; R1108-E1113 HydrophobicContact CB-CB 4.37Å; R1108-E1113 WeakPolarHBondContact CD-O 3.39Å; R1108-E1113 HydrophobicContact CG-CB 4.13Å; R1108-E1113 WeakPolarHBondContact CG-OE2 3.45Å; R1108-E1113 IonicContact CZ-OE1 2.74Å; R1108-E1113 VanDerWaalsContact CZ-OE1 3.24Å; R1108-E1113 IonicContact CZ-OE2 3.18Å; R1108-E1113 IonicContact NE-OE1 2.65Å; R1108-E1113 PolarHBondContact NE-OE1 3Å; R1108-E1113 IonicContact NE-OE2 3.48Å; R1108-E1113 PolarHBondContact NE-OE2 3.32Å; R1108-E1113 IonicContact NH2-OE1 2.75Å; R1108-E1113 PolarHBondContact NH2-OE1 3.41Å; R1108-E1113 IonicContact NH2-OE2 3.06Å; R1108-E1113 PolarHBondContact O-N 3.03Å; R1108-H1116 PolarHBondContact NH1-NE2 2.78Å; R1108-S1128 VanDerWaalsContact CD-O 3.29Å; R1108-S1128 WeakPolarHBondContact CD-O 3.5Å; R1108-S1128 PolarHBondContact NH1-O 3.26Å
1109	R	93.6	Very high	94.4	Very high	103 Å²	103	53.1 Å²	53.1	39%	0.389	26%	0.261	S	S	.	.	H	α-helix	trans	-71.8	-30.1	173.3	-174.2	174.3	-69.9	-153.5	-10.5	112.5	D1029 H1106 M1107	D1029-R1109 VanDerWaalsContact CB-NH2 3.32Å; D1029-R1109 PolarHBondContact O-NH2 3.36Å; D1029-R1109 IonicContact OD2-CZ 3.02Å; D1029-R1109 IonicContact OD2-NE 2.83Å; D1029-R1109 IonicContact OD2-NH1 2.73Å; D1029-R1109 PolarHBondContact OD2-NH1 3.34Å; D1029-R1109 IonicContact OD2-NH2 3.3Å; D1029-R1109 PolarHBondContact OD2-NH2 3.1Å; H1106-R1109 VanDerWaalsContact O-CB 3.28Å; H1106-R1109 WeakPolarHBondContact O-CB 3.47Å; H1106-R1109 PolarHBondContact O-N 2.86Å; M1107-R1109 PolarHBondContact O-N 2.88Å
1110	H	93.1	Very high	94.5	Very high	30 Å²	30	56.9 Å²	56.9	14%	0.139	27%	0.272	C	S	.	.	H	α-helix	trans	-88.5	-37.7	-179.9	-62.2	-61	0	0	0	112.3	E1049 W1087 C1090 H1106 M1107	E1049-H1110 WeakPolarHBondContact CB-O 3.34Å; W1087-H1110 AromaticContact CD1-CE1 3.7Å; W1087-H1110 AromaticContact CD1-CG 3.6Å; W1087-H1110 AromaticContact CD1-ND1 3.23Å; W1087-H1110 HydrophobicContact CD2-CB 3.9Å; W1087-H1110 HydrophobicContact CE3-CB 4.44Å; W1087-H1110 HydrophobicContact CG-CB 4.12Å; W1087-H1110 AromaticContact CG-CG 3.7Å; W1087-H1110 AromaticContact CG-ND1 3.77Å; W1087-H1110 HydrophobicContact CZ2-CB 4.21Å; W1087-H1110 AromaticContact NE1-CG 3.9Å; W1087-H1110 AromaticContact NE1-ND1 3.65Å; C1090-H1110 VanDerWaalsContact SG-CE1 3.57Å; C1090-H1110 PolarHBondContact SG-NE2 3.03Å; C1090-H1110 VanDerWaalsContact SG-NE2 3.4Å; H1106-H1110 AromaticContact CD2-NE2 3.91Å; H1106-H1110 AromaticContact CE1-NE2 3.42Å; H1106-H1110 PolarHBondContact CE1-NE2 3.42Å; H1106-H1110 AromaticContact NE2-CD2 3.72Å; H1106-H1110 AromaticContact NE2-NE2 3.03Å; H1106-H1110 PolarHBondContact NE2-NE2 3.4Å; M1107-H1110 HydrophobicContact CE-CB 3.84Å; M1107-H1110 VanDerWaalsContact CE-CD2 3.5Å; M1107-H1110 WeakPolarHBondContact CE-CD2 3.17Å; M1107-H1110 PolarHBondContact O-N 3.05Å
1111	T	93.8	Very high	94.4	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-81.4	-20.1	175.7	60	0	0	0	0	113.3	Q1064 L1067 V1068 L1071 M1107 E1113	Q1064-T1111 PolarHBondContact NE2-O 3.33Å; L1067-T1111 HydrophobicContact CD2-CG2 3.97Å; L1067-T1111 HydrophobicContact CG-CG2 4.14Å; V1068-T1111 HydrophobicContact CG2-CG2 3.83Å; L1071-T1111 HydrophobicContact CD1-CG2 3.31Å; M1107-T1111 PolarHBondContact O-N 2.93Å; M1107-T1111 PolarHBondContact O-OG1 3.17Å; T1111-E1113 VanDerWaalsContact C-N 3.29Å; T1111-E1113 WeakPolarHBondContact OG1-CB 3.48Å; T1111-E1113 PolarHBondContact OG1-N 2.72Å
1112	G	94.8	Very high	94.4	Very high	27 Å²	27	56.5 Å²	56.5	28%	0.278	30%	0.296	S	S	.	.			trans	73.8	14.2	-169.4	0	0	0	0	0	114.3	Q1064 R1108 K1114	Q1064-G1112 PolarHBondContact NE2-O 3.4Å; R1108-G1112 CarbonylContact O-C 3.03Å; R1108-G1112 VanDerWaalsContact O-CA 3.28Å; R1108-G1112 WeakPolarHBondContact O-CA 3.42Å; R1108-G1112 PolarHBondContact O-N 2.96Å; G1112-K1114 PolarHBondContact O-N 3.21Å; G1112-K1114 VanDerWaalsContact O-N 3.1Å
1113	E	94.2	Very high	94.5	Very high	33 Å²	33	53.7 Å²	53.7	15%	0.154	28%	0.283	C	S	.	.			trans	-66.1	108.7	-175.7	-170.8	-142.3	144.9	0	0	111.1	V1068 R1108 T1111 P1115	V1068-E1113 HydrophobicContact CG2-CB 4.15Å; V1068-E1113 HydrophobicContact CG2-CG 4.24Å; R1108-E1113 HydrophobicContact CB-CB 4.37Å; R1108-E1113 WeakPolarHBondContact CD-O 3.39Å; R1108-E1113 HydrophobicContact CG-CB 4.13Å; R1108-E1113 WeakPolarHBondContact CG-OE2 3.45Å; R1108-E1113 IonicContact CZ-OE1 2.74Å; R1108-E1113 VanDerWaalsContact CZ-OE1 3.24Å; R1108-E1113 IonicContact CZ-OE2 3.18Å; R1108-E1113 IonicContact NE-OE1 2.65Å; R1108-E1113 PolarHBondContact NE-OE1 3Å; R1108-E1113 IonicContact NE-OE2 3.48Å; R1108-E1113 PolarHBondContact NE-OE2 3.32Å; R1108-E1113 IonicContact NH2-OE1 2.75Å; R1108-E1113 PolarHBondContact NH2-OE1 3.41Å; R1108-E1113 IonicContact NH2-OE2 3.06Å; R1108-E1113 PolarHBondContact O-N 3.03Å; T1111-E1113 VanDerWaalsContact C-N 3.29Å; T1111-E1113 WeakPolarHBondContact OG1-CB 3.48Å; T1111-E1113 PolarHBondContact OG1-N 2.72Å; E1113-P1115 VanDerWaalsContact C-CD 3.46Å; E1113-P1115 WeakPolarHBondContact O-CD 3.49Å; E1113-P1115 WeakPolarHBondContact OE1-CB 3.5Å; E1113-P1115 VanDerWaalsContact OE1-CG 3.23Å; E1113-P1115 WeakPolarHBondContact OE1-CG 3.37Å
1114	K	95.7	Very high	94.4	Very high	73 Å²	73	59.8 Å²	59.8	32%	0.317	31%	0.314	S	S	.	.			trans	-111.9	73.5	175.9	-60.3	171	-168.2	172.9	0	109.9	D1046 G1112 H1116 R1126 Y1127	D1046-K1114 IonicContact OD1-NZ 3.76Å; D1046-K1114 PolarHBondContact OD1-NZ 2.76Å; D1046-K1114 IonicContact OD2-NZ 2.71Å; D1046-K1114 PolarHBondContact OD2-NZ 3.23Å; G1112-K1114 PolarHBondContact O-N 3.21Å; G1112-K1114 VanDerWaalsContact O-N 3.1Å; K1114-H1116 VanDerWaalsContact C-N 3.34Å; K1114-H1116 PolarHBondContact O-N 3.34Å; K1114-R1126 HydrophobicContact CB-CB 3.69Å; K1114-R1126 WeakPolarHBondContact O-CB 3.28Å; K1114-Y1127 CarbonylContact C-O 3.4Å; K1114-Y1127 VanDerWaalsContact C-O 3.31Å; K1114-Y1127 WeakPolarHBondContact CA-O 3.37Å
1115	P	94.1	Very high	94.4	Very high	59 Å²	59	61.3 Å²	61.3	38%	0.383	32%	0.317	S	S	.	.			trans	-76.6	-17.6	-169.2	33.6	-39.8	0	0	0	113.9	E1113 K1117 Y1127	E1113-P1115 VanDerWaalsContact C-CD 3.46Å; E1113-P1115 WeakPolarHBondContact O-CD 3.49Å; E1113-P1115 WeakPolarHBondContact OE1-CB 3.5Å; E1113-P1115 VanDerWaalsContact OE1-CG 3.23Å; E1113-P1115 WeakPolarHBondContact OE1-CG 3.37Å; P1115-K1117 PolarHBondContact O-N 2.95Å; P1115-Y1127 WeakPolarHBondContact CD-O 3.28Å
1116	H	95.8	Very high	94.5	Very high	64 Å²	64	66.6 Å²	66.6	30%	0.296	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	79.1	-175.7	-58.2	-72.9	0	0	0	110.2	R1108 K1114 Y1127 L1130 L1133	R1108-H1116 PolarHBondContact NH1-NE2 2.78Å; K1114-H1116 VanDerWaalsContact C-N 3.34Å; K1114-H1116 PolarHBondContact O-N 3.34Å; H1116-Y1127 WeakPolarHBondContact CB-O 3.27Å; H1116-Y1127 PolarHBondContact CD2-O 3.32Å; H1116-Y1127 PolarHBondContact N-O 3.3Å; H1116-Y1127 PolarHBondContact O-N 3.44Å; H1116-L1130 PolarHBondContact CD2-N 3.25Å; H1116-L1130 VanDerWaalsContact CD2-N 3.32Å; H1116-L1133 HydrophobicContact CB-CB 3.99Å; H1116-L1133 HydrophobicContact CB-CD2 3.8Å; H1116-L1133 HydrophobicContact CB-CG 4.5Å
1117	K	94.8	Very high	94.6	Very high	92 Å²	92	67 Å²	67	40%	0.4	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	143.7	174.4	-162.6	-142	167.6	-157.4	0	111	P1115 C1123 R1126 L1133	P1115-K1117 PolarHBondContact O-N 2.95Å; K1117-C1123 WeakPolarHBondContact CE-O 3.29Å; K1117-R1126 HydrophobicContact CB-CG 3.98Å; K1117-R1126 HydrophobicContact CG-CG 3.84Å; K1117-L1133 WeakPolarHBondContact O-CD2 3.13Å
1118	C	96.8	Very high	94.7	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.339	C	S	.	.			trans	-61.7	136.7	163.6	-164.7	0	0	0	0	111.3	C1123 K1125 L1133 H1136 H1140	C1118-C1123 HydrophobicContact CB-CB 3.95Å; C1118-K1125 PolarHBondContact N-O 3Å; C1118-L1133 HydrophobicContact CB-CD1 4.27Å; C1118-H1136 VanDerWaalsContact SG-CD2 3.59Å; C1118-H1136 PolarHBondContact SG-NE2 2.84Å; C1118-H1140 PolarHBondContact SG-NE2 3.06Å
1119	I	94.7	Very high	94.7	Very high	136 Å²	136	70.1 Å²	70.1	70%	0.697	35%	0.348	S	S	*	.			trans	-94.2	-2.6	178.3	60.7	165.9	0	0	0	113	L1137	I1119-L1137 HydrophobicContact CG1-CD1 4.4Å; I1119-L1137 HydrophobicContact CG1-CD2 3.76Å
1120	F	94.6	Very high	94.8	Very high	104 Å²	104	69 Å²	69	46%	0.456	35%	0.349	S	S	.	.	S	Bend	trans	-77	129.9	175.5	-166.5	-89.1	0	0	0	109.9	C1123 H1140	F1120-C1123 HydrophobicContact CB-CB 4.15Å; F1120-C1123 VanDerWaalsContact O-CB 3.25Å; F1120-C1123 WeakPolarHBondContact O-CB 3.36Å; F1120-C1123 PolarHBondContact O-N 3.41Å; F1120-H1140 HydrophobicContact CB-CB 4.32Å; F1120-H1140 AromaticContact CD1-CE1 3.73Å; F1120-H1140 AromaticContact CD1-ND1 3.32Å; F1120-H1140 VanDerWaalsContact CD1-ND1 3.32Å; F1120-H1140 WeakPolarHBondContact CD1-ND1 3.42Å; F1120-H1140 HydrophobicContact CD2-CB 3.68Å; F1120-H1140 AromaticContact CD2-CG 3.87Å; F1120-H1140 AromaticContact CD2-ND1 3.9Å; F1120-H1140 AromaticContact CE1-ND1 3.77Å; F1120-H1140 HydrophobicContact CE2-CB 4.11Å; F1120-H1140 HydrophobicContact CG-CB 3.98Å; F1120-H1140 AromaticContact CG-CG 3.61Å; F1120-H1140 AromaticContact CG-ND1 3.39Å; F1120-H1140 WeakPolarHBondContact CG-ND1 3.49Å
1121	E	91.8	Very high	94.7	Very high	162 Å²	162	73.8 Å²	73.8	76%	0.757	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	140.2	-176.6	-78.4	-57.7	156.3	0	0	112.5	C1123	E1121-C1123 PolarHBondContact O-N 2.86Å
1122	G	92.7	Very high	94.7	Very high	73 Å²	73	75 Å²	75	75%	0.753	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	-8.6	-168.6	0	0	0	0	0	115.3
1123	C	95	Very high	94.8	Very high	11 Å²	11	74.4 Å²	74.4	7%	0.074	37%	0.368	C	S	.	.			trans	-87.5	117.7	172.9	-163.5	0	0	0	0	112	K1117 C1118 F1120 E1121 H1136 H1140	K1117-C1123 WeakPolarHBondContact CE-O 3.29Å; C1118-C1123 HydrophobicContact CB-CB 3.95Å; F1120-C1123 HydrophobicContact CB-CB 4.15Å; F1120-C1123 VanDerWaalsContact O-CB 3.25Å; F1120-C1123 WeakPolarHBondContact O-CB 3.36Å; F1120-C1123 PolarHBondContact O-N 3.41Å; E1121-C1123 PolarHBondContact O-N 2.86Å; C1123-H1136 PolarHBondContact SG-NE2 2.93Å; C1123-H1140 WeakPolarHBondContact CB-CE1 3.42Å; C1123-H1140 WeakPolarHBondContact CB-NE2 3.43Å; C1123-H1140 PolarHBondContact SG-CE1 2.93Å; C1123-H1140 PolarHBondContact SG-NE2 3.42Å
1124	I	94	Very high	94.9	Very high	128 Å²	128	79 Å²	79	66%	0.656	39%	0.388	S	S	*	.			trans	-91.6	-14.2	-177.7	-56.3	173.9	0	0	0	111.7
1125	K	95.2	Very high	94.8	Very high	81 Å²	81	77.7 Å²	77.7	35%	0.352	39%	0.386	S	S	.	.			trans	-56.7	141	-173.9	-67.2	-155	172.9	-157.1	0	113.1	E1032 C1118 Y1127	E1032-K1125 IonicContact OE1-NZ 3.06Å; E1032-K1125 PolarHBondContact OE1-NZ 3.11Å; E1032-K1125 IonicContact OE2-NZ 2.75Å; E1032-K1125 PolarHBondContact OE2-NZ 2.84Å; C1118-K1125 PolarHBondContact N-O 3Å; K1125-Y1127 HydrophobicContact CB-CE2 3.89Å; K1125-Y1127 WeakPolarHBondContact CD-OH 3.44Å
1126	R	96	Very high	94.8	Very high	157 Å²	157	75.5 Å²	75.5	59%	0.592	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.8	-179.4	-74.3	-177.1	170.1	-160.1	-1.6	110.3	K1114 K1117	K1114-R1126 HydrophobicContact CB-CB 3.69Å; K1114-R1126 WeakPolarHBondContact O-CB 3.28Å; K1117-R1126 HydrophobicContact CB-CG 3.98Å; K1117-R1126 HydrophobicContact CG-CG 3.84Å
1127	Y	96.5	Very high	94.8	Very high	24 Å²	24	74.5 Å²	74.5	9%	0.094	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.7	-174	-64.1	-87	0	0	0	113.3	K1114 P1115 H1116 K1125 R1129 N1132 L1133 H1136	K1114-Y1127 CarbonylContact C-O 3.4Å; K1114-Y1127 VanDerWaalsContact C-O 3.31Å; K1114-Y1127 WeakPolarHBondContact CA-O 3.37Å; P1115-Y1127 WeakPolarHBondContact CD-O 3.28Å; H1116-Y1127 WeakPolarHBondContact CB-O 3.27Å; H1116-Y1127 PolarHBondContact CD2-O 3.32Å; H1116-Y1127 PolarHBondContact N-O 3.3Å; H1116-Y1127 PolarHBondContact O-N 3.44Å; K1125-Y1127 HydrophobicContact CB-CE2 3.89Å; K1125-Y1127 WeakPolarHBondContact CD-OH 3.44Å; Y1127-R1129 VanDerWaalsContact C-N 3.29Å; Y1127-R1129 WeakPolarHBondContact CB-O 3.34Å; Y1127-N1132 HydrophobicContact CD1-CB 3.63Å; Y1127-N1132 HydrophobicContact CE1-CB 4.4Å; Y1127-N1132 HydrophobicContact CG-CB 4.13Å; Y1127-L1133 HydrophobicContact CD2-CB 4.05Å; Y1127-L1133 HydrophobicContact CD2-CD1 4.21Å; Y1127-L1133 HydrophobicContact CG-CB 4.38Å; Y1127-H1136 HydrophobicContact CE1-CB 4.44Å; Y1127-H1136 HydrophobicContact CE2-CB 3.76Å; Y1127-H1136 AromaticContact CE2-CD2 3.4Å; Y1127-H1136 WeakPolarHBondContact CE2-CD2 3.41Å; Y1127-H1136 AromaticContact CE2-CG 3.65Å; Y1127-H1136 AromaticContact CZ-CD2 3.88Å; Y1127-H1136 AromaticContact CZ-CG 3.68Å
1128	S	95.5	Very high	94.8	Very high	24 Å²	24	72.9 Å²	72.9	17%	0.168	36%	0.359	C	S	.	.	S	Bend	trans	-65.3	-30	172.4	57.6	0	0	0	0	112.7	D1030 R1108	D1030-S1128 PolarHBondContact OD1-OG 2.83Å; R1108-S1128 VanDerWaalsContact CD-O 3.29Å; R1108-S1128 WeakPolarHBondContact CD-O 3.5Å; R1108-S1128 PolarHBondContact NH1-O 3.26Å
1129	R	95.3	Very high	94.6	Very high	89 Å²	89	75.7 Å²	75.7	34%	0.336	38%	0.379	S	S	.	.	S	Bend	trans	-131.4	147.3	-176.7	-49.1	-176.9	-152.4	-163.2	8	112.3	D1030 V1105 Y1127 E1131 N1132 L1133	D1030-R1129 IonicContact OD2-CZ 2.89Å; D1030-R1129 IonicContact OD2-NE 3.28Å; D1030-R1129 PolarHBondContact OD2-NE 2.93Å; D1030-R1129 IonicContact OD2-NH2 2.87Å; D1030-R1129 PolarHBondContact OD2-NH2 3.32Å; V1105-R1129 HydrophobicContact CG1-CG 4.05Å; Y1127-R1129 VanDerWaalsContact C-N 3.29Å; Y1127-R1129 WeakPolarHBondContact CB-O 3.34Å; R1129-E1131 VanDerWaalsContact C-N 3.28Å; R1129-E1131 PolarHBondContact O-N 3.2Å; R1129-N1132 PolarHBondContact O-N 3.5Å; R1129-L1133 PolarHBondContact O-N 3.34Å
1130	L	95.4	Very high	94.6	Very high	80 Å²	80	72.4 Å²	72.4	42%	0.419	36%	0.36	S	S	.	.	H	α-helix	trans	-66.1	-30	177	-178.7	60.3	0	0	0	112.8	H1116 L1133 K1134	H1116-L1130 PolarHBondContact CD2-N 3.25Å; H1116-L1130 VanDerWaalsContact CD2-N 3.32Å; L1130-L1133 HydrophobicContact CD1-CD2 4.23Å; L1130-L1133 PolarHBondContact O-N 2.8Å; L1130-K1134 WeakPolarHBondContact O-CG 3.29Å; L1130-K1134 PolarHBondContact O-N 2.93Å
1131	E	91.6	Very high	94.5	Very high	131 Å²	131	71.5 Å²	71.5	61%	0.612	36%	0.363	S	S	*	.	H	α-helix	trans	-66.2	-42	-179.6	-66.6	167.9	146.1	0	0	110.8	R1129 K1134 T1135	R1129-E1131 VanDerWaalsContact C-N 3.28Å; R1129-E1131 PolarHBondContact O-N 3.2Å; E1131-K1134 WeakPolarHBondContact O-CB 3.32Å; E1131-K1134 PolarHBondContact O-N 3.22Å; E1131-K1134 VanDerWaalsContact O-N 3.11Å; E1131-T1135 PolarHBondContact O-N 3.34Å; E1131-T1135 PolarHBondContact O-OG1 3.37Å
1132	N	94.5	Very high	94.6	Very high	27 Å²	27	66.2 Å²	66.2	14%	0.144	35%	0.352	C	S	.	.	H	α-helix	trans	-67.9	-37.8	177.2	-48.2	12.2	0	0	0	111.1	D1030 Y1127 R1129 K1134 T1135 H1136	D1030-N1132 PolarHBondContact OD1-ND2 2.97Å; Y1127-N1132 HydrophobicContact CD1-CB 3.63Å; Y1127-N1132 HydrophobicContact CE1-CB 4.4Å; Y1127-N1132 HydrophobicContact CG-CB 4.13Å; R1129-N1132 PolarHBondContact O-N 3.5Å; N1132-K1134 VanDerWaalsContact C-N 3.34Å; N1132-T1135 WeakPolarHBondContact CA-OG1 3.08Å; N1132-T1135 PolarHBondContact O-N 3.49Å; N1132-T1135 PolarHBondContact O-OG1 3.02Å; N1132-H1136 WeakPolarHBondContact O-CB 3.05Å; N1132-H1136 PolarHBondContact O-N 3.14Å
1133	L	96.4	Very high	94.6	Very high	14 Å²	14	67.5 Å²	67.5	7%	0.073	34%	0.338	C	S	.	.	H	α-helix	trans	-61.8	-40.8	169.5	172.1	61	0	0	0	111.5	H1116 K1117 C1118 Y1127 R1129 L1130 H1136 L1137	H1116-L1133 HydrophobicContact CB-CB 3.99Å; H1116-L1133 HydrophobicContact CB-CD2 3.8Å; H1116-L1133 HydrophobicContact CB-CG 4.5Å; K1117-L1133 WeakPolarHBondContact O-CD2 3.13Å; C1118-L1133 HydrophobicContact CB-CD1 4.27Å; Y1127-L1133 HydrophobicContact CD2-CB 4.05Å; Y1127-L1133 HydrophobicContact CD2-CD1 4.21Å; Y1127-L1133 HydrophobicContact CG-CB 4.38Å; R1129-L1133 PolarHBondContact O-N 3.34Å; L1130-L1133 HydrophobicContact CD1-CD2 4.23Å; L1130-L1133 PolarHBondContact O-N 2.8Å; L1133-H1136 PolarHBondContact O-N 3.37Å; L1133-L1137 HydrophobicContact CD1-CD1 3.98Å; L1133-L1137 HydrophobicContact CD1-CD2 4.39Å; L1133-L1137 HydrophobicContact CD1-CG 3.87Å; L1133-L1137 HydrophobicContact CG-CD1 3.97Å; L1133-L1137 HydrophobicContact CG-CG 4.33Å; L1133-L1137 WeakPolarHBondContact O-CG 3.46Å; L1133-L1137 PolarHBondContact O-N 3.34Å
1134	K	95.3	Very high	94.5	Very high	129 Å²	129	73.4 Å²	73.4	56%	0.561	36%	0.363	S	S	*	.	H	α-helix	trans	-65.7	-38.2	177.4	-76.1	178.8	177.5	-175.1	0	112.9	L1130 E1131 N1132	L1130-K1134 WeakPolarHBondContact O-CG 3.29Å; L1130-K1134 PolarHBondContact O-N 2.93Å; E1131-K1134 WeakPolarHBondContact O-CB 3.32Å; E1131-K1134 PolarHBondContact O-N 3.22Å; E1131-K1134 VanDerWaalsContact O-N 3.11Å; N1132-K1134 VanDerWaalsContact C-N 3.34Å
1135	T	93.9	Very high	94.5	Very high	46 Å²	46	70.7 Å²	70.7	28%	0.282	35%	0.353	S	S	.	.	H	α-helix	trans	-69.3	-38	173	46.5	0	0	0	0	111.7	E1131 N1132 R1138 N1159	E1131-T1135 PolarHBondContact O-N 3.34Å; E1131-T1135 PolarHBondContact O-OG1 3.37Å; N1132-T1135 WeakPolarHBondContact CA-OG1 3.08Å; N1132-T1135 PolarHBondContact O-N 3.49Å; N1132-T1135 PolarHBondContact O-OG1 3.02Å; T1135-R1138 WeakPolarHBondContact O-CB 3.23Å; T1135-R1138 PolarHBondContact O-N 3.4Å; T1135-N1159 HydrophobicContact CG2-CB 4.09Å
1136	H	94.6	Very high	94.5	Very high	13 Å²	13	70 Å²	70	6%	0.06	35%	0.349	C	S	.	.	H	α-helix	trans	-65.6	-39.5	174.5	172.7	50.7	0	0	0	113.3	C1118 C1123 Y1127 N1132 L1133 R1138 S1139 H1140	C1118-H1136 VanDerWaalsContact SG-CD2 3.59Å; C1118-H1136 PolarHBondContact SG-NE2 2.84Å; C1123-H1136 PolarHBondContact SG-NE2 2.93Å; Y1127-H1136 HydrophobicContact CE1-CB 4.44Å; Y1127-H1136 HydrophobicContact CE2-CB 3.76Å; Y1127-H1136 AromaticContact CE2-CD2 3.4Å; Y1127-H1136 WeakPolarHBondContact CE2-CD2 3.41Å; Y1127-H1136 AromaticContact CE2-CG 3.65Å; Y1127-H1136 AromaticContact CZ-CD2 3.88Å; Y1127-H1136 AromaticContact CZ-CG 3.68Å; N1132-H1136 WeakPolarHBondContact O-CB 3.05Å; N1132-H1136 PolarHBondContact O-N 3.14Å; L1133-H1136 PolarHBondContact O-N 3.37Å; H1136-R1138 PolarHBondContact O-N 3.5Å; H1136-R1138 VanDerWaalsContact O-N 3.13Å; H1136-S1139 PolarHBondContact ND1-OG 3.19Å; H1136-S1139 WeakPolarHBondContact O-CA 3.2Å; H1136-S1139 WeakPolarHBondContact O-CB 3.15Å; H1136-S1139 PolarHBondContact O-N 3.08Å; H1136-S1139 PolarHBondContact O-OG 3.35Å; H1136-H1140 AromaticContact CD2-NE2 3.46Å; H1136-H1140 PolarHBondContact CD2-NE2 3.23Å; H1136-H1140 AromaticContact CE1-CD2 3.56Å; H1136-H1140 AromaticContact CE1-NE2 2.48Å; H1136-H1140 PolarHBondContact CE1-NE2 3.27Å; H1136-H1140 AromaticContact ND1-NE2 3.66Å; H1136-H1140 AromaticContact NE2-CD2 3.53Å; H1136-H1140 AromaticContact NE2-NE2 2.25Å; H1136-H1140 PolarHBondContact NE2-NE2 3.22Å
1137	L	95.1	Very high	94.4	Very high	44 Å²	44	67.4 Å²	67.4	23%	0.23	34%	0.344	C	S	.	.	H	α-helix	trans	-60.9	-25.7	177.7	-74.7	168	0	0	0	112.5	I1119 L1133 S1139 H1140 T1141	I1119-L1137 HydrophobicContact CG1-CD1 4.4Å; I1119-L1137 HydrophobicContact CG1-CD2 3.76Å; L1133-L1137 HydrophobicContact CD1-CD1 3.98Å; L1133-L1137 HydrophobicContact CD1-CD2 4.39Å; L1133-L1137 HydrophobicContact CD1-CG 3.87Å; L1133-L1137 HydrophobicContact CG-CD1 3.97Å; L1133-L1137 HydrophobicContact CG-CG 4.33Å; L1133-L1137 WeakPolarHBondContact O-CG 3.46Å; L1133-L1137 PolarHBondContact O-N 3.34Å; L1137-S1139 VanDerWaalsContact C-N 3.33Å; L1137-H1140 WeakPolarHBondContact O-CB 3.07Å; L1137-H1140 PolarHBondContact O-N 2.93Å; L1137-H1140 VanDerWaalsContact O-N 3.15Å; L1137-T1141 PolarHBondContact O-N 2.93Å
1138	R	94.9	Very high	94.4	Very high	58 Å²	58	66.5 Å²	66.5	22%	0.219	34%	0.341	C	S	.	.	H	α-helix	trans	-71.5	-22.3	171.2	-66	178.6	174.3	150	-2.9	114.1	T1135 H1136 H1140 G1142 E1143 Y1146 S1158	T1135-R1138 WeakPolarHBondContact O-CB 3.23Å; T1135-R1138 PolarHBondContact O-N 3.4Å; H1136-R1138 PolarHBondContact O-N 3.5Å; H1136-R1138 VanDerWaalsContact O-N 3.13Å; R1138-H1140 PolarHBondContact O-N 3.36Å; R1138-G1142 CarbonylContact O-C 3.01Å; R1138-G1142 WeakPolarHBondContact O-CA 3.09Å; R1138-G1142 PolarHBondContact O-N 2.92Å; R1138-E1143 HydrophobicContact CB-CB 4.24Å; R1138-E1143 HydrophobicContact CG-CB 4Å; R1138-E1143 PolarHBondContact O-N 3.14Å; R1138-Y1146 PolarHBondContact NH1-OH 3.37Å; R1138-S1158 WeakPolarHBondContact CD-O 3.21Å; R1138-S1158 PolarHBondContact NH1-O 3.32Å
1139	S	93.6	Very high	94.2	Very high	59 Å²	59	71.3 Å²	71.3	41%	0.413	36%	0.361	S	S	.	.	H	α-helix	trans	-71.1	-22.6	169.4	85.7	0	0	0	0	111.7	H1136 L1137	H1136-S1139 PolarHBondContact ND1-OG 3.19Å; H1136-S1139 WeakPolarHBondContact O-CA 3.2Å; H1136-S1139 WeakPolarHBondContact O-CB 3.15Å; H1136-S1139 PolarHBondContact O-N 3.08Å; H1136-S1139 PolarHBondContact O-OG 3.35Å; L1137-S1139 VanDerWaalsContact C-N 3.33Å
1140	H	94.3	Very high	94.1	Very high	66 Å²	66	69.8 Å²	69.8	31%	0.306	36%	0.359	S	S	.	.	H	α-helix	trans	-87.2	-40.3	174	-71.9	-69.8	0	0	0	113.2	C1118 F1120 C1123 H1136 L1137 R1138 G1142	C1118-H1140 PolarHBondContact SG-NE2 3.06Å; F1120-H1140 HydrophobicContact CB-CB 4.32Å; F1120-H1140 AromaticContact CD1-CE1 3.73Å; F1120-H1140 AromaticContact CD1-ND1 3.32Å; F1120-H1140 VanDerWaalsContact CD1-ND1 3.32Å; F1120-H1140 WeakPolarHBondContact CD1-ND1 3.42Å; F1120-H1140 HydrophobicContact CD2-CB 3.68Å; F1120-H1140 AromaticContact CD2-CG 3.87Å; F1120-H1140 AromaticContact CD2-ND1 3.9Å; F1120-H1140 AromaticContact CE1-ND1 3.77Å; F1120-H1140 HydrophobicContact CE2-CB 4.11Å; F1120-H1140 HydrophobicContact CG-CB 3.98Å; F1120-H1140 AromaticContact CG-CG 3.61Å; F1120-H1140 AromaticContact CG-ND1 3.39Å; F1120-H1140 WeakPolarHBondContact CG-ND1 3.49Å; C1123-H1140 WeakPolarHBondContact CB-CE1 3.42Å; C1123-H1140 WeakPolarHBondContact CB-NE2 3.43Å; C1123-H1140 PolarHBondContact SG-CE1 2.93Å; C1123-H1140 PolarHBondContact SG-NE2 3.42Å; H1136-H1140 AromaticContact CD2-NE2 3.46Å; H1136-H1140 PolarHBondContact CD2-NE2 3.23Å; H1136-H1140 AromaticContact CE1-CD2 3.56Å; H1136-H1140 AromaticContact CE1-NE2 2.48Å; H1136-H1140 PolarHBondContact CE1-NE2 3.27Å; H1136-H1140 AromaticContact ND1-NE2 3.66Å; H1136-H1140 AromaticContact NE2-CD2 3.53Å; H1136-H1140 AromaticContact NE2-NE2 2.25Å; H1136-H1140 PolarHBondContact NE2-NE2 3.22Å; L1137-H1140 WeakPolarHBondContact O-CB 3.07Å; L1137-H1140 PolarHBondContact O-N 2.93Å; L1137-H1140 VanDerWaalsContact O-N 3.15Å; R1138-H1140 PolarHBondContact O-N 3.36Å; H1140-G1142 VanDerWaalsContact C-N 3.34Å
1141	T	92.8	Very high	93.9	Very high	86 Å²	86	72 Å²	72	53%	0.528	38%	0.378	S	S	.	.	H	α-helix	trans	-81.7	-13.3	176.9	62.7	0	0	0	0	113.6	L1137 E1143	L1137-T1141 PolarHBondContact O-N 2.93Å; T1141-E1143 WeakPolarHBondContact CB-OE1 3.43Å; T1141-E1143 PolarHBondContact O-N 2.64Å; T1141-E1143 WeakPolarHBondContact OG1-CB 3.22Å; T1141-E1143 VanDerWaalsContact OG1-CD 3.23Å; T1141-E1143 VanDerWaalsContact OG1-CG 3.27Å; T1141-E1143 WeakPolarHBondContact OG1-CG 3.47Å; T1141-E1143 PolarHBondContact OG1-N 3.31Å; T1141-E1143 PolarHBondContact OG1-OE1 3.29Å
1142	G	92.9	Very high	93.8	Very high	50 Å²	50	69.4 Å²	69.4	52%	0.515	39%	0.386	S	S	.	.			trans	73.4	3.3	-173.4	0	0	0	0	0	114.1	R1138 H1140 K1144	R1138-G1142 CarbonylContact O-C 3.01Å; R1138-G1142 WeakPolarHBondContact O-CA 3.09Å; R1138-G1142 PolarHBondContact O-N 2.92Å; H1140-G1142 VanDerWaalsContact C-N 3.34Å; G1142-K1144 PolarHBondContact O-N 3.4Å
1143	E	93.1	Very high	93.8	Very high	100 Å²	100	68.5 Å²	68.5	47%	0.467	38%	0.382	S	S	.	.			trans	-61	118.8	-177.2	-83.2	169.1	-123.4	0	0	112.6	R1138 T1141 P1145	R1138-E1143 HydrophobicContact CB-CB 4.24Å; R1138-E1143 HydrophobicContact CG-CB 4Å; R1138-E1143 PolarHBondContact O-N 3.14Å; T1141-E1143 WeakPolarHBondContact CB-OE1 3.43Å; T1141-E1143 PolarHBondContact O-N 2.64Å; T1141-E1143 WeakPolarHBondContact OG1-CB 3.22Å; T1141-E1143 VanDerWaalsContact OG1-CD 3.23Å; T1141-E1143 VanDerWaalsContact OG1-CG 3.27Å; T1141-E1143 WeakPolarHBondContact OG1-CG 3.47Å; T1141-E1143 PolarHBondContact OG1-N 3.31Å; T1141-E1143 PolarHBondContact OG1-OE1 3.29Å; E1143-P1145 VanDerWaalsContact O-CD 3.24Å; E1143-P1145 WeakPolarHBondContact O-CD 3.49Å
1144	K	94.3	Very high	93.5	Very high	135 Å²	135	74 Å²	74	59%	0.587	41%	0.411	S	S	*	.			trans	-117.7	68.6	174.9	-71.9	173.1	178.7	-176.5	0	110.2	G1142 Y1146 A1156 F1157	G1142-K1144 PolarHBondContact O-N 3.4Å; K1144-Y1146 PolarHBondContact O-N 2.96Å; K1144-A1156 HydrophobicContact CB-CB 3.84Å; K1144-A1156 WeakPolarHBondContact O-CB 3.35Å; K1144-F1157 CarbonylContact C-O 2.7Å; K1144-F1157 VanDerWaalsContact CA-O 3.28Å; K1144-F1157 WeakPolarHBondContact CA-O 3.27Å
1145	P	93.4	Very high	93.4	Very high	71 Å²	71	73.9 Å²	73.9	46%	0.461	41%	0.411	S	S	.	.			trans	-73.1	-7.7	-169.4	30	-35.8	0	0	0	114.5	E1143	E1143-P1145 VanDerWaalsContact O-CD 3.24Å; E1143-P1145 WeakPolarHBondContact O-CD 3.49Å
1146	Y	95	Very high	93.5	Very high	67 Å²	67	73.3 Å²	73.3	26%	0.263	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	79	178.2	-49.9	-76.6	0	0	0	110.2	R1138 K1144 A1156 F1157 S1158 N1159 A1160	R1138-Y1146 PolarHBondContact NH1-OH 3.37Å; K1144-Y1146 PolarHBondContact O-N 2.96Å; Y1146-A1156 WeakPolarHBondContact O-CA 3.4Å; Y1146-F1157 WeakPolarHBondContact CD2-O 3.46Å; Y1146-F1157 PolarHBondContact N-O 3.19Å; Y1146-F1157 VanDerWaalsContact N-O 3.13Å; Y1146-F1157 WeakPolarHBondContact O-CD2 3.17Å; Y1146-F1157 PolarHBondContact O-N 3.35Å; Y1146-S1158 WeakPolarHBondContact CE2-O 3.18Å; Y1146-N1159 VanDerWaalsContact CD2-CA 3.46Å; Y1146-N1159 VanDerWaalsContact CE2-CA 3.48Å; Y1146-A1160 HydrophobicContact CD1-CB 3.73Å; Y1146-A1160 HydrophobicContact CD2-CB 4.38Å; Y1146-A1160 VanDerWaalsContact CD2-N 3.29Å; Y1146-A1160 HydrophobicContact CE1-CB 3.74Å; Y1146-A1160 HydrophobicContact CE2-CB 4.36Å; Y1146-A1160 HydrophobicContact CG-CB 4.07Å
1147	Q	94.3	Very high	93.5	Very high	103 Å²	103	74.9 Å²	74.9	48%	0.481	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	138.2	167.9	-176.1	170	-16.1	0	0	110.5	E1149 A1156 R1163	Q1147-E1149 PolarHBondContact O-N 2.66Å; Q1147-A1156 HydrophobicContact CB-CB 4.13Å; Q1147-R1163 VanDerWaalsContact C-CD 3.46Å; Q1147-R1163 WeakPolarHBondContact O-CD 3.31Å; Q1147-R1163 PolarHBondContact O-NH1 2.83Å
1148	C	95.5	Very high	93.4	Very high	5 Å²	5	73.8 Å²	73.8	3%	0.034	41%	0.413	C	S	.	.			trans	-57.3	125.7	172.5	-169.5	0	0	0	0	110.5	I1150 C1153 K1155 H1166 Q1167 H1171	C1148-I1150 PolarHBondContact O-N 2.85Å; C1148-C1153 HydrophobicContact CB-CB 4.18Å; C1148-C1153 WeakPolarHBondContact CB-O 3.24Å; C1148-K1155 VanDerWaalsContact CB-O 3.32Å; C1148-K1155 WeakPolarHBondContact CB-O 3.14Å; C1148-K1155 PolarHBondContact N-O 2.9Å; C1148-H1166 VanDerWaalsContact SG-CD2 3.59Å; C1148-Q1167 WeakPolarHBondContact SG-CG 3.43Å; C1148-H1171 PolarHBondContact SG-NE2 2.98Å; C1148-H1171 VanDerWaalsContact SG-NE2 3.38Å
1149	E	92.9	Very high	93.3	Very high	125 Å²	125	71.6 Å²	71.6	58%	0.584	41%	0.406	S	S	*	.			trans	-80.2	1.6	-177.1	-64.3	140.3	159.2	0	0	113.1	Q1147 R1163 Q1167	Q1147-E1149 PolarHBondContact O-N 2.66Å; E1149-R1163 IonicContact OE1-CZ 3.31Å; E1149-R1163 IonicContact OE1-NH1 2.71Å; E1149-R1163 PolarHBondContact OE1-NH1 3.15Å; E1149-R1163 IonicContact OE1-NH2 3.06Å; E1149-R1163 PolarHBondContact OE1-NH2 2.88Å; E1149-R1163 IonicContact OE2-CZ 2.85Å; E1149-R1163 IonicContact OE2-NE 2.66Å; E1149-R1163 IonicContact OE2-NH1 2.71Å; E1149-R1163 PolarHBondContact OE2-NH1 2.96Å; E1149-R1163 IonicContact OE2-NH2 2.96Å; E1149-R1163 PolarHBondContact OE2-NH2 2.81Å; E1149-Q1167 PolarHBondContact OE2-NE2 3.32Å
1150	I	93	Very high	93.4	Very high	57 Å²	57	71 Å²	71	29%	0.292	41%	0.405	S	S	.	.	S	Bend	trans	-85.8	119.8	-178.4	-63.9	177.7	0	0	0	108.3	C1148 C1153 Q1167 H1171	C1148-I1150 PolarHBondContact O-N 2.85Å; I1150-C1153 VanDerWaalsContact O-CB 3.28Å; I1150-C1153 WeakPolarHBondContact O-CB 3.28Å; I1150-C1153 PolarHBondContact O-N 2.78Å; I1150-Q1167 HydrophobicContact CD1-CB 4.12Å; I1150-Q1167 HydrophobicContact CD1-CG 3.98Å; I1150-Q1167 HydrophobicContact CG1-CG 4.34Å; I1150-H1171 HydrophobicContact CD1-CB 3.4Å; I1150-H1171 VanDerWaalsContact CD1-CB 3.4Å; I1150-H1171 HydrophobicContact CG2-CB 4.47Å
1151	P	90.4	Very high	93.2	Very high	126 Å²	126	71.1 Å²	71.1	82%	0.818	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	142	-173.5	22.9	-33.2	0	0	0	111.7	C1153	P1151-C1153 PolarHBondContact O-N 2.99Å
1152	G	90.3	Very high	93.2	Very high	77 Å²	77	68.8 Å²	68.8	79%	0.794	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-11.7	-169.7	0	0	0	0	0	114.6
1153	C	93.2	Very high	93.2	Very high	8 Å²	8	68.6 Å²	68.6	5%	0.054	38%	0.381	C	S	.	.			trans	-100.4	87	178.1	-159.2	0	0	0	0	113.8	C1148 I1150 P1151 K1155 H1166 H1171	C1148-C1153 HydrophobicContact CB-CB 4.18Å; C1148-C1153 WeakPolarHBondContact CB-O 3.24Å; I1150-C1153 VanDerWaalsContact O-CB 3.28Å; I1150-C1153 WeakPolarHBondContact O-CB 3.28Å; I1150-C1153 PolarHBondContact O-N 2.78Å; P1151-C1153 PolarHBondContact O-N 2.99Å; C1153-K1155 PolarHBondContact O-N 2.74Å; C1153-H1166 PolarHBondContact SG-NE2 2.66Å; C1153-H1171 WeakPolarHBondContact CB-CE1 3.44Å; C1153-H1171 WeakPolarHBondContact CB-NE2 3.47Å; C1153-H1171 PolarHBondContact SG-CE1 3.38Å; C1153-H1171 PolarHBondContact SG-NE2 2.97Å
1154	N	91	Very high	93.2	Very high	129 Å²	129	65.7 Å²	65.7	69%	0.69	37%	0.374	S	S	*	.			trans	-76.4	25.3	178	-61	-20.4	0	0	0	114.1
1155	K	94.1	Very high	92.9	Very high	127 Å²	127	62.5 Å²	62.5	55%	0.552	36%	0.36	S	S	*	.			trans	-84.2	126.7	177	-71.9	-173	175.4	-177.8	0	110.3	C1148 C1153 F1157	C1148-K1155 VanDerWaalsContact CB-O 3.32Å; C1148-K1155 WeakPolarHBondContact CB-O 3.14Å; C1148-K1155 PolarHBondContact N-O 2.9Å; C1153-K1155 PolarHBondContact O-N 2.74Å; K1155-F1157 HydrophobicContact CB-CE2 3.9Å; K1155-F1157 HydrophobicContact CB-CZ 4.02Å; K1155-F1157 WeakPolarHBondContact O-CE2 2.99Å
1156	A	94.6	Very high	92.8	Very high	34 Å²	34	60 Å²	60	28%	0.281	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	149.1	-179.6	0	0	0	0	0	112.3	K1144 Y1146 Q1147	K1144-A1156 HydrophobicContact CB-CB 3.84Å; K1144-A1156 WeakPolarHBondContact O-CB 3.35Å; Y1146-A1156 WeakPolarHBondContact O-CA 3.4Å; Q1147-A1156 HydrophobicContact CB-CB 4.13Å
1157	F	94.9	Very high	92.5	Very high	45 Å²	45	58 Å²	58	20%	0.197	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	150.7	-167.9	-58.5	-92.5	0	0	0	111.6	K1144 Y1146 K1155 N1159 D1162 R1163 H1166	K1144-F1157 CarbonylContact C-O 2.7Å; K1144-F1157 VanDerWaalsContact CA-O 3.28Å; K1144-F1157 WeakPolarHBondContact CA-O 3.27Å; Y1146-F1157 WeakPolarHBondContact CD2-O 3.46Å; Y1146-F1157 PolarHBondContact N-O 3.19Å; Y1146-F1157 VanDerWaalsContact N-O 3.13Å; Y1146-F1157 WeakPolarHBondContact O-CD2 3.17Å; Y1146-F1157 PolarHBondContact O-N 3.35Å; K1155-F1157 HydrophobicContact CB-CE2 3.9Å; K1155-F1157 HydrophobicContact CB-CZ 4.02Å; K1155-F1157 WeakPolarHBondContact O-CE2 2.99Å; F1157-N1159 VanDerWaalsContact C-N 3.34Å; F1157-D1162 HydrophobicContact CD1-CB 4.02Å; F1157-R1163 HydrophobicContact CB-CB 4.27Å; F1157-R1163 HydrophobicContact CD2-CB 3.74Å; F1157-R1163 HydrophobicContact CD2-CG 3.99Å; F1157-R1163 HydrophobicContact CE2-CB 4.49Å; F1157-R1163 HydrophobicContact CE2-CG 4.46Å; F1157-R1163 HydrophobicContact CG-CB 4.17Å; F1157-H1166 HydrophobicContact CE1-CB 4.11Å; F1157-H1166 HydrophobicContact CE2-CB 3.99Å; F1157-H1166 AromaticContact CE2-CD2 3.35Å; F1157-H1166 WeakPolarHBondContact CE2-CD2 3.22Å; F1157-H1166 AromaticContact CE2-CG 3.8Å; F1157-H1166 HydrophobicContact CZ-CB 3.53Å; F1157-H1166 AromaticContact CZ-CD2 3.42Å; F1157-H1166 VanDerWaalsContact CZ-CD2 3.42Å; F1157-H1166 WeakPolarHBondContact CZ-CD2 3.41Å; F1157-H1166 AromaticContact CZ-CG 3.4Å
1158	S	93.7	Very high	92.2	Very high	21 Å²	21	58.8 Å²	58.8	15%	0.147	34%	0.343	C	S	.	.	S	Bend	trans	-76	-20.3	178.4	54.8	0	0	0	0	113.3	R1138 Y1146	R1138-S1158 WeakPolarHBondContact CD-O 3.21Å; R1138-S1158 PolarHBondContact NH1-O 3.32Å; Y1146-S1158 WeakPolarHBondContact CE2-O 3.18Å
1159	N	93.3	Very high	91.8	Very high	13 Å²	13	62.6 Å²	62.6	7%	0.07	36%	0.357	C	S	.	.	S	Bend	trans	-133.4	152.3	175.7	72.4	69.2	0	0	0	111.9	T1135 Y1146 F1157 S1161 D1162	T1135-N1159 HydrophobicContact CG2-CB 4.09Å; Y1146-N1159 VanDerWaalsContact CD2-CA 3.46Å; Y1146-N1159 VanDerWaalsContact CE2-CA 3.48Å; F1157-N1159 VanDerWaalsContact C-N 3.34Å; N1159-S1161 PolarHBondContact OD1-N 3.3Å; N1159-S1161 PolarHBondContact OD1-OG 3.11Å; N1159-D1162 PolarHBondContact ND2-OD2 2.89Å; N1159-D1162 WeakPolarHBondContact OD1-CB 3.2Å; N1159-D1162 PolarHBondContact OD1-N 2.93Å; N1159-D1162 PolarHBondContact OD1-OD2 3.23Å
1160	A	94	Very high	91.6	Very high	46 Å²	46	59.9 Å²	59.9	38%	0.38	35%	0.349	S	S	.	.	H	α-helix	trans	-71.4	-31	-175.7	0	0	0	0	0	112.8	Y1146 D1162 R1163 A1164	Y1146-A1160 HydrophobicContact CD1-CB 3.73Å; Y1146-A1160 HydrophobicContact CD2-CB 4.38Å; Y1146-A1160 VanDerWaalsContact CD2-N 3.29Å; Y1146-A1160 HydrophobicContact CE1-CB 3.74Å; Y1146-A1160 HydrophobicContact CE2-CB 4.36Å; Y1146-A1160 HydrophobicContact CG-CB 4.07Å; A1160-D1162 VanDerWaalsContact C-N 3.34Å; A1160-D1162 PolarHBondContact O-N 2.9Å; A1160-R1163 PolarHBondContact O-N 3.12Å; A1160-A1164 PolarHBondContact O-N 3.33Å
1161	S	90.9	Very high	91.3	Very high	68 Å²	68	60.7 Å²	60.7	48%	0.476	35%	0.351	S	S	.	.	H	α-helix	trans	-62.3	-38.8	179.1	30.8	0	0	0	0	112.4	N1159 A1164 K1165	N1159-S1161 PolarHBondContact OD1-N 3.3Å; N1159-S1161 PolarHBondContact OD1-OG 3.11Å; S1161-A1164 PolarHBondContact O-N 3.21Å; S1161-K1165 WeakPolarHBondContact O-CB 3.39Å; S1161-K1165 VanDerWaalsContact O-CG 3.24Å; S1161-K1165 WeakPolarHBondContact O-CG 3.38Å; S1161-K1165 PolarHBondContact O-N 2.71Å
1162	D	91.8	Very high	91	Very high	37 Å²	37	57.1 Å²	57.1	20%	0.198	33%	0.329	C	S	.	.	H	α-helix	trans	-79.5	-30	-178.1	-66.8	-19.5	0	0	0	112	F1157 N1159 A1160 K1165 H1166	F1157-D1162 HydrophobicContact CD1-CB 4.02Å; N1159-D1162 PolarHBondContact ND2-OD2 2.89Å; N1159-D1162 WeakPolarHBondContact OD1-CB 3.2Å; N1159-D1162 PolarHBondContact OD1-N 2.93Å; N1159-D1162 PolarHBondContact OD1-OD2 3.23Å; A1160-D1162 VanDerWaalsContact C-N 3.34Å; A1160-D1162 PolarHBondContact O-N 2.9Å; D1162-K1165 VanDerWaalsContact OD1-CD 3.25Å; D1162-K1165 WeakPolarHBondContact OD1-CD 3.01Å; D1162-K1165 WeakPolarHBondContact OD1-CE 3.41Å; D1162-K1165 IonicContact OD1-NZ 3.91Å; D1162-K1165 PolarHBondContact OD1-NZ 2.74Å; D1162-H1166 WeakPolarHBondContact O-CB 3.03Å; D1162-H1166 PolarHBondContact O-N 3.14Å
1163	R	94.5	Very high	90.4	Very high	47 Å²	47	58.9 Å²	58.9	18%	0.177	32%	0.32	C	S	.	.	H	α-helix	trans	-58.9	-48.9	163.7	-170.9	-167.2	64.7	171	11.4	111.2	Q1147 E1149 F1157 A1160 H1166 Q1167	Q1147-R1163 VanDerWaalsContact C-CD 3.46Å; Q1147-R1163 WeakPolarHBondContact O-CD 3.31Å; Q1147-R1163 PolarHBondContact O-NH1 2.83Å; E1149-R1163 IonicContact OE1-CZ 3.31Å; E1149-R1163 IonicContact OE1-NH1 2.71Å; E1149-R1163 PolarHBondContact OE1-NH1 3.15Å; E1149-R1163 IonicContact OE1-NH2 3.06Å; E1149-R1163 PolarHBondContact OE1-NH2 2.88Å; E1149-R1163 IonicContact OE2-CZ 2.85Å; E1149-R1163 IonicContact OE2-NE 2.66Å; E1149-R1163 IonicContact OE2-NH1 2.71Å; E1149-R1163 PolarHBondContact OE2-NH1 2.96Å; E1149-R1163 IonicContact OE2-NH2 2.96Å; E1149-R1163 PolarHBondContact OE2-NH2 2.81Å; F1157-R1163 HydrophobicContact CB-CB 4.27Å; F1157-R1163 HydrophobicContact CD2-CB 3.74Å; F1157-R1163 HydrophobicContact CD2-CG 3.99Å; F1157-R1163 HydrophobicContact CE2-CB 4.49Å; F1157-R1163 HydrophobicContact CE2-CG 4.46Å; F1157-R1163 HydrophobicContact CG-CB 4.17Å; A1160-R1163 PolarHBondContact O-N 3.12Å; R1163-H1166 WeakPolarHBondContact O-CB 3.4Å; R1163-H1166 PolarHBondContact O-N 3.09Å; R1163-H1166 VanDerWaalsContact O-N 3.14Å; R1163-Q1167 HydrophobicContact CG-CG 4.49Å; R1163-Q1167 WeakPolarHBondContact O-CG 3.39Å; R1163-Q1167 PolarHBondContact O-N 2.89Å; R1163-Q1167 PolarHBondContact O-OE1 2.78Å
1164	A	92	Very high	89.8	Confident	39 Å²	39	64.5 Å²	64.5	32%	0.322	35%	0.346	S	S	.	.	H	α-helix	trans	-65.8	-41.2	179.1	0	0	0	0	0	112.4	A1160 S1161 H1166 N1168	A1160-A1164 PolarHBondContact O-N 3.33Å; S1161-A1164 PolarHBondContact O-N 3.21Å; A1164-H1166 VanDerWaalsContact C-N 3.27Å; A1164-H1166 PolarHBondContact O-N 3.28Å; A1164-N1168 VanDerWaalsContact O-CB 3.29Å; A1164-N1168 WeakPolarHBondContact O-CB 3.19Å; A1164-N1168 VanDerWaalsContact O-CG 3.25Å; A1164-N1168 PolarHBondContact O-N 3.31Å
1165	K	88.1	Confident	89.6	Confident	67 Å²	67	63.4 Å²	63.4	29%	0.291	34%	0.335	S	S	.	.	H	α-helix	trans	-58.8	-39.3	170.6	-70.8	171.7	-156.1	166.2	0	110.7	S1161 D1162 R1169	S1161-K1165 WeakPolarHBondContact O-CB 3.39Å; S1161-K1165 VanDerWaalsContact O-CG 3.24Å; S1161-K1165 WeakPolarHBondContact O-CG 3.38Å; S1161-K1165 PolarHBondContact O-N 2.71Å; D1162-K1165 VanDerWaalsContact OD1-CD 3.25Å; D1162-K1165 WeakPolarHBondContact OD1-CD 3.01Å; D1162-K1165 WeakPolarHBondContact OD1-CE 3.41Å; D1162-K1165 IonicContact OD1-NZ 3.91Å; D1162-K1165 PolarHBondContact OD1-NZ 2.74Å; K1165-R1169 WeakPolarHBondContact O-CB 3.31Å; K1165-R1169 VanDerWaalsContact O-CD 3.29Å; K1165-R1169 WeakPolarHBondContact O-CD 3.25Å; K1165-R1169 WeakPolarHBondContact O-CG 3.48Å; K1165-R1169 PolarHBondContact O-N 2.71Å
1166	H	91.1	Very high	89.2	Confident	19 Å²	19	60.4 Å²	60.4	9%	0.088	33%	0.329	C	S	.	.	H	α-helix	trans	-67.5	-55.5	177.8	166.2	57.9	0	0	0	111.9	C1148 C1153 F1157 D1162 R1163 A1164 N1168 R1169 T1170 H1171	C1148-H1166 VanDerWaalsContact SG-CD2 3.59Å; C1153-H1166 PolarHBondContact SG-NE2 2.66Å; F1157-H1166 HydrophobicContact CE1-CB 4.11Å; F1157-H1166 HydrophobicContact CE2-CB 3.99Å; F1157-H1166 AromaticContact CE2-CD2 3.35Å; F1157-H1166 WeakPolarHBondContact CE2-CD2 3.22Å; F1157-H1166 AromaticContact CE2-CG 3.8Å; F1157-H1166 HydrophobicContact CZ-CB 3.53Å; F1157-H1166 AromaticContact CZ-CD2 3.42Å; F1157-H1166 VanDerWaalsContact CZ-CD2 3.42Å; F1157-H1166 WeakPolarHBondContact CZ-CD2 3.41Å; F1157-H1166 AromaticContact CZ-CG 3.4Å; D1162-H1166 WeakPolarHBondContact O-CB 3.03Å; D1162-H1166 PolarHBondContact O-N 3.14Å; R1163-H1166 WeakPolarHBondContact O-CB 3.4Å; R1163-H1166 PolarHBondContact O-N 3.09Å; R1163-H1166 VanDerWaalsContact O-N 3.14Å; A1164-H1166 VanDerWaalsContact C-N 3.27Å; A1164-H1166 PolarHBondContact O-N 3.28Å; H1166-N1168 VanDerWaalsContact C-N 3.3Å; H1166-N1168 PolarHBondContact O-N 3.41Å; H1166-R1169 PolarHBondContact O-N 2.83Å; H1166-R1169 VanDerWaalsContact O-N 3.14Å; H1166-T1170 PolarHBondContact CE1-OG1 3.4Å; H1166-T1170 PolarHBondContact ND1-OG1 3.25Å; H1166-T1170 PolarHBondContact O-N 3.43Å; H1166-T1170 PolarHBondContact O-OG1 2.85Å; H1166-T1170 VanDerWaalsContact O-OG1 3.06Å; H1166-H1171 AromaticContact CD2-NE2 3.2Å; H1166-H1171 PolarHBondContact CD2-NE2 2.95Å; H1166-H1171 AromaticContact CE1-CD2 3.81Å; H1166-H1171 AromaticContact CE1-NE2 2.49Å; H1166-H1171 PolarHBondContact CE1-NE2 2.67Å; H1166-H1171 AromaticContact CG-NE2 3.9Å; H1166-H1171 AromaticContact ND1-NE2 3.55Å; H1166-H1171 AromaticContact NE2-CD2 3.79Å; H1166-H1171 AromaticContact NE2-NE2 2.16Å; H1166-H1171 PolarHBondContact NE2-NE2 2.67Å
1167	Q	89.6	Confident	89	Confident	24 Å²	24	63.4 Å²	63.4	11%	0.112	33%	0.333	C	S	.	.	I	π-helix	trans	-46.4	-54.4	173.5	-74.2	168	-61.9	0	0	110.7	C1148 E1149 I1150 R1163 R1169 H1171	C1148-Q1167 WeakPolarHBondContact SG-CG 3.43Å; E1149-Q1167 PolarHBondContact OE2-NE2 3.32Å; I1150-Q1167 HydrophobicContact CD1-CB 4.12Å; I1150-Q1167 HydrophobicContact CD1-CG 3.98Å; I1150-Q1167 HydrophobicContact CG1-CG 4.34Å; R1163-Q1167 HydrophobicContact CG-CG 4.49Å; R1163-Q1167 WeakPolarHBondContact O-CG 3.39Å; R1163-Q1167 PolarHBondContact O-N 2.89Å; R1163-Q1167 PolarHBondContact O-OE1 2.78Å; Q1167-R1169 VanDerWaalsContact C-N 3.3Å; Q1167-R1169 PolarHBondContact O-N 3.13Å; Q1167-H1171 PolarHBondContact O-N 3.28Å
1168	N	88	Confident	88.9	Confident	121 Å²	121	63.9 Å²	63.9	65%	0.647	34%	0.34	S	S	*	.	I	π-helix	trans	-78.1	-3.7	-173.4	-62.5	-3.4	0	0	0	115.1	A1164 H1166 S1172	A1164-N1168 VanDerWaalsContact O-CB 3.29Å; A1164-N1168 WeakPolarHBondContact O-CB 3.19Å; A1164-N1168 VanDerWaalsContact O-CG 3.25Å; A1164-N1168 PolarHBondContact O-N 3.31Å; H1166-N1168 VanDerWaalsContact C-N 3.3Å; H1166-N1168 PolarHBondContact O-N 3.41Å; N1168-S1172 VanDerWaalsContact C-OG 3.27Å; N1168-S1172 PolarHBondContact O-OG 2.8Å
1169	R	86.8	Confident	89	Confident	85 Å²	85	63.4 Å²	63.4	32%	0.321	34%	0.336	S	S	.	.	I	π-helix	trans	-125.7	-25.6	-177.3	-63.2	174.8	-172.1	-177	1.9	115.5	K1165 H1166 Q1167	K1165-R1169 WeakPolarHBondContact O-CB 3.31Å; K1165-R1169 VanDerWaalsContact O-CD 3.29Å; K1165-R1169 WeakPolarHBondContact O-CD 3.25Å; K1165-R1169 WeakPolarHBondContact O-CG 3.48Å; K1165-R1169 PolarHBondContact O-N 2.71Å; H1166-R1169 PolarHBondContact O-N 2.83Å; H1166-R1169 VanDerWaalsContact O-N 3.14Å; Q1167-R1169 VanDerWaalsContact C-N 3.3Å; Q1167-R1169 PolarHBondContact O-N 3.13Å
1170	T	87.7	Confident	89	Confident	67 Å²	67	71.1 Å²	71.1	41%	0.411	37%	0.369	S	S	.	.	I	π-helix	trans	-108	-23.7	-179.8	67.1	0	0	0	0	113.6	H1166 N1173	H1166-T1170 PolarHBondContact CE1-OG1 3.4Å; H1166-T1170 PolarHBondContact ND1-OG1 3.25Å; H1166-T1170 PolarHBondContact O-N 3.43Å; H1166-T1170 PolarHBondContact O-OG1 2.85Å; H1166-T1170 VanDerWaalsContact O-OG1 3.06Å; T1170-N1173 PolarHBondContact O-ND2 2.94Å; T1170-N1173 VanDerWaalsContact O-ND2 3.13Å
1171	H	87.3	Confident	89	Confident	74 Å²	74	70.1 Å²	70.1	34%	0.343	36%	0.359	S	S	.	.	I	π-helix	trans	-99.2	-42.4	-178.3	-64.5	-74.9	0	0	0	111.9	C1148 I1150 C1153 H1166 Q1167 N1173	C1148-H1171 PolarHBondContact SG-NE2 2.98Å; C1148-H1171 VanDerWaalsContact SG-NE2 3.38Å; I1150-H1171 HydrophobicContact CD1-CB 3.4Å; I1150-H1171 VanDerWaalsContact CD1-CB 3.4Å; I1150-H1171 HydrophobicContact CG2-CB 4.47Å; C1153-H1171 WeakPolarHBondContact CB-CE1 3.44Å; C1153-H1171 WeakPolarHBondContact CB-NE2 3.47Å; C1153-H1171 PolarHBondContact SG-CE1 3.38Å; C1153-H1171 PolarHBondContact SG-NE2 2.97Å; H1166-H1171 AromaticContact CD2-NE2 3.2Å; H1166-H1171 PolarHBondContact CD2-NE2 2.95Å; H1166-H1171 AromaticContact CE1-CD2 3.81Å; H1166-H1171 AromaticContact CE1-NE2 2.49Å; H1166-H1171 PolarHBondContact CE1-NE2 2.67Å; H1166-H1171 AromaticContact CG-NE2 3.9Å; H1166-H1171 AromaticContact ND1-NE2 3.55Å; H1166-H1171 AromaticContact NE2-CD2 3.79Å; H1166-H1171 AromaticContact NE2-NE2 2.16Å; H1166-H1171 PolarHBondContact NE2-NE2 2.67Å; Q1167-H1171 PolarHBondContact O-N 3.28Å; H1171-N1173 PolarHBondContact O-N 3.38Å; H1171-N1173 PolarHBondContact O-ND2 3.43Å
1172	S	83.7	Confident	89	Confident	52 Å²	52	72.6 Å²	72.6	36%	0.364	37%	0.366	S	S	.	.	S	Bend	trans	-57.4	-31.7	167.1	63.6	0	0	0	0	112.8	N1168 E1174	N1168-S1172 VanDerWaalsContact C-OG 3.27Å; N1168-S1172 PolarHBondContact O-OG 2.8Å; S1172-E1174 PolarHBondContact O-N 3.02Å; S1172-E1174 PolarHBondContact OG-N 3.4Å
1173	N	78.9	Confident	88.8	Confident	114 Å²	114	74.5 Å²	74.5	61%	0.61	40%	0.395	S	S	*	.			trans	53.8	7.3	-168.1	-75.5	-79.1	0	0	0	115.2	T1170 H1171 K1175	T1170-N1173 PolarHBondContact O-ND2 2.94Å; T1170-N1173 VanDerWaalsContact O-ND2 3.13Å; H1171-N1173 PolarHBondContact O-N 3.38Å; H1171-N1173 PolarHBondContact O-ND2 3.43Å; N1173-K1175 PolarHBondContact O-N 3.26Å
1174	E	80.5	Confident	88.7	Confident	125 Å²	125	72.9 Å²	72.9	58%	0.584	39%	0.391	S	S	*	.			trans	-68.1	133.7	-176.6	-72.5	-171.2	-171.8	0	0	111.5	S1172 P1176 T1189	S1172-E1174 PolarHBondContact O-N 3.02Å; S1172-E1174 PolarHBondContact OG-N 3.4Å; E1174-P1176 WeakPolarHBondContact O-CD 3.46Å; E1174-T1189 WeakPolarHBondContact O-CG2 3.46Å
1175	K	86.2	Confident	88.7	Confident	107 Å²	107	76.6 Å²	76.6	47%	0.465	41%	0.414	S	S	.	.			trans	-115.9	69.4	174.6	-68.7	172.8	-177	169.6	0	109.9	N1173 Y1177 R1187 Y1188 T1189	N1173-K1175 PolarHBondContact O-N 3.26Å; K1175-Y1177 VanDerWaalsContact C-N 3.29Å; K1175-Y1177 PolarHBondContact O-N 3.03Å; K1175-R1187 HydrophobicContact CB-CB 3.71Å; K1175-R1187 VanDerWaalsContact O-CZ 3.31Å; K1175-R1187 PolarHBondContact O-NE 2.87Å; K1175-R1187 PolarHBondContact O-NH2 2.93Å; K1175-Y1188 CarbonylContact C-O 3.56Å; K1175-Y1188 VanDerWaalsContact C-O 3.27Å; K1175-Y1188 WeakPolarHBondContact CA-O 3.05Å; K1175-T1189 HydrophobicContact CD-CG2 4.43Å; K1175-T1189 HydrophobicContact CG-CG2 3.63Å
1176	P	84.8	Confident	89	Confident	64 Å²	64	78.6 Å²	78.6	42%	0.416	42%	0.423	S	S	.	.			trans	-71.6	-24.3	-174.9	29.6	-34.6	0	0	0	112.3	E1174 T1178	E1174-P1176 WeakPolarHBondContact O-CD 3.46Å; P1176-T1178 PolarHBondContact O-N 3.05Å
1177	Y	91.5	Very high	89.1	Confident	96 Å²	96	84.9 Å²	84.9	38%	0.376	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	86.7	-176.2	-56.4	-73.1	0	0	0	111.1	K1175 Y1188 T1189 D1190 P1191	K1175-Y1177 VanDerWaalsContact C-N 3.29Å; K1175-Y1177 PolarHBondContact O-N 3.03Å; Y1177-Y1188 WeakPolarHBondContact CB-O 3.45Å; Y1177-Y1188 PolarHBondContact N-O 3.01Å; Y1177-Y1188 VanDerWaalsContact N-O 3.17Å; Y1177-Y1188 PolarHBondContact O-N 3.34Å; Y1177-T1189 WeakPolarHBondContact CE2-O 3.42Å; Y1177-D1190 VanDerWaalsContact CD2-CA 3.43Å; Y1177-P1191 HydrophobicContact CD1-CB 4.26Å; Y1177-P1191 HydrophobicContact CD1-CG 4.15Å; Y1177-P1191 HydrophobicContact CE1-CB 4.2Å; Y1177-P1191 HydrophobicContact CE1-CG 3.66Å; Y1177-P1191 HydrophobicContact CE2-CG 4.08Å
1178	T	92.5	Very high	89.2	Confident	55 Å²	55	86 Å²	86	34%	0.337	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	145.4	176.6	69	0	0	0	0	112	P1176 K1180 R1187 L1194	P1176-T1178 PolarHBondContact O-N 3.05Å; T1178-K1180 PolarHBondContact O-N 3.02Å; T1178-R1187 HydrophobicContact CG2-CG 3.97Å; T1178-L1194 WeakPolarHBondContact O-CD2 3.04Å
1179	C	96.3	Very high	89.2	Confident	11 Å²	11	82.1 Å²	82.1	7%	0.074	43%	0.43	C	S	.	.			trans	-75.8	106.4	171.8	-166.1	0	0	0	0	110.8	V1181 C1184 K1186 L1194 H1197 H1202	C1179-V1181 PolarHBondContact O-N 3.37Å; C1179-C1184 HydrophobicContact CB-CB 4.33Å; C1179-C1184 WeakPolarHBondContact CB-O 3.35Å; C1179-C1184 VanDerWaalsContact O-O 3.08Å; C1179-K1186 WeakPolarHBondContact CB-O 3.48Å; C1179-K1186 PolarHBondContact N-O 3.48Å; C1179-L1194 HydrophobicContact CB-CD1 3.88Å; C1179-H1197 PolarHBondContact SG-NE2 3.13Å; C1179-H1202 PolarHBondContact SG-NE2 2.9Å
1180	K	93.6	Very high	89.2	Confident	176 Å²	176	78.8 Å²	78.8	77%	0.765	42%	0.419	S	S	*	.			trans	-77.9	40.5	173.8	-54.8	-169.2	179.2	-171.3	0	113.3	T1178	T1178-K1180 PolarHBondContact O-N 3.02Å
1181	V	94	Very high	89.4	Confident	25 Å²	25	78.2 Å²	78.2	15%	0.152	42%	0.416	C	S	.	.	S	Bend	trans	-113.7	130.5	172.8	-178.7	0	0	0	0	107.2	C1179 G1183 C1184 V1198 H1202 V1206	C1179-V1181 PolarHBondContact O-N 3.37Å; V1181-G1183 PolarHBondContact O-N 2.85Å; V1181-C1184 HydrophobicContact CB-CB 4.41Å; V1181-C1184 WeakPolarHBondContact O-CB 3.32Å; V1181-C1184 PolarHBondContact O-N 3.36Å; V1181-V1198 HydrophobicContact CG2-CG1 4.41Å; V1181-H1202 HydrophobicContact CG1-CB 4.34Å; V1181-H1202 HydrophobicContact CG2-CB 4.42Å; V1181-V1206 HydrophobicContact CB-CG1 4.43Å; V1181-V1206 HydrophobicContact CG1-CG1 3.99Å; V1181-V1206 HydrophobicContact CG2-CG1 3.51Å
1182	D	89.2	Confident	89.5	Confident	120 Å²	120	77.6 Å²	77.6	64%	0.642	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	133.9	-173.1	-105.3	-60.9	0	0	0	112.5	C1184 R2231	D1182-C1184 VanDerWaalsContact C-N 3.29Å; D1182-C1184 PolarHBondContact O-N 3.44Å; D1182-R2231 IonicContact OD1-CZ 3.02Å; D1182-R2231 IonicContact OD1-NH1 3.41Å; D1182-R2231 PolarHBondContact OD1-NH1 2.97Å; D1182-R2231 IonicContact OD1-NH2 2.67Å; D1182-R2231 PolarHBondContact OD1-NH2 3.27Å; D1182-R2231 IonicContact OD2-NH1 2.9Å
1183	G	88.5	Confident	90	Very high	77 Å²	77	77.3 Å²	77.3	79%	0.794	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-1	-172.9	0	0	0	0	0	115.7	V1181	V1181-G1183 PolarHBondContact O-N 2.85Å
1184	C	93.2	Very high	90.8	Very high	13 Å²	13	73.1 Å²	73.1	9%	0.088	40%	0.396	C	S	.	.			trans	-112	86.8	-179	-157.1	0	0	0	0	114.4	C1179 V1181 D1182 K1186 H1197 H1202	C1179-C1184 HydrophobicContact CB-CB 4.33Å; C1179-C1184 WeakPolarHBondContact CB-O 3.35Å; C1179-C1184 VanDerWaalsContact O-O 3.08Å; V1181-C1184 HydrophobicContact CB-CB 4.41Å; V1181-C1184 WeakPolarHBondContact O-CB 3.32Å; V1181-C1184 PolarHBondContact O-N 3.36Å; D1182-C1184 VanDerWaalsContact C-N 3.29Å; D1182-C1184 PolarHBondContact O-N 3.44Å; C1184-K1186 PolarHBondContact O-N 2.8Å; C1184-H1197 VanDerWaalsContact SG-CE1 3.52Å; C1184-H1197 PolarHBondContact SG-NE2 2.82Å; C1184-H1202 WeakPolarHBondContact CB-CE1 3.46Å; C1184-H1202 WeakPolarHBondContact CB-NE2 3.17Å; C1184-H1202 PolarHBondContact SG-CE1 2.8Å; C1184-H1202 PolarHBondContact SG-NE2 2.84Å
1185	S	91.2	Very high	91.5	Very high	117 Å²	117	72.9 Å²	72.9	82%	0.818	39%	0.389	S	S	*	.			trans	-74.9	17.8	179.3	-43.2	0	0	0	0	115.4
1186	K	93.9	Very high	91.8	Very high	109 Å²	109	74.9 Å²	74.9	47%	0.474	40%	0.398	S	S	.	.			trans	-72.2	135.1	-177	-67	-168.4	-179.2	-174.6	0	111.3	C1179 C1184 Y1188	C1179-K1186 WeakPolarHBondContact CB-O 3.48Å; C1179-K1186 PolarHBondContact N-O 3.48Å; C1184-K1186 PolarHBondContact O-N 2.8Å; K1186-Y1188 HydrophobicContact CB-CE2 3.71Å; K1186-Y1188 WeakPolarHBondContact CD-OH 3.21Å
1187	R	93.1	Very high	92.3	Very high	150 Å²	150	72.3 Å²	72.3	57%	0.566	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.4	-179.2	-52.6	-175.2	58.6	162.3	-1.7	111.1	K1175 T1178	K1175-R1187 HydrophobicContact CB-CB 3.71Å; K1175-R1187 VanDerWaalsContact O-CZ 3.31Å; K1175-R1187 PolarHBondContact O-NE 2.87Å; K1175-R1187 PolarHBondContact O-NH2 2.93Å; T1178-R1187 HydrophobicContact CG2-CG 3.97Å
1188	Y	92	Very high	92.4	Very high	47 Å²	47	67.8 Å²	67.8	18%	0.184	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.7	-174.1	-61.4	-86.8	0	0	0	111.6	K1175 Y1177 K1186 D1190 L1194 H1197	K1175-Y1188 CarbonylContact C-O 3.56Å; K1175-Y1188 VanDerWaalsContact C-O 3.27Å; K1175-Y1188 WeakPolarHBondContact CA-O 3.05Å; Y1177-Y1188 WeakPolarHBondContact CB-O 3.45Å; Y1177-Y1188 PolarHBondContact N-O 3.01Å; Y1177-Y1188 VanDerWaalsContact N-O 3.17Å; Y1177-Y1188 PolarHBondContact O-N 3.34Å; K1186-Y1188 HydrophobicContact CB-CE2 3.71Å; K1186-Y1188 WeakPolarHBondContact CD-OH 3.21Å; Y1188-D1190 VanDerWaalsContact C-N 3.3Å; Y1188-L1194 HydrophobicContact CD2-CB 3.87Å; Y1188-L1194 HydrophobicContact CD2-CD1 4.01Å; Y1188-L1194 HydrophobicContact CE2-CD1 4.26Å; Y1188-L1194 HydrophobicContact CG-CB 4.14Å; Y1188-H1197 HydrophobicContact CE1-CB 4.18Å; Y1188-H1197 HydrophobicContact CE2-CB 4.01Å; Y1188-H1197 AromaticContact CE2-CD2 3.31Å; Y1188-H1197 WeakPolarHBondContact CE2-CD2 3.48Å; Y1188-H1197 AromaticContact CE2-CG 3.81Å; Y1188-H1197 AromaticContact CZ-CD2 3.58Å; Y1188-H1197 AromaticContact CZ-CG 3.59Å; Y1188-H1197 WeakPolarHBondContact OH-CB 3.36Å; Y1188-H1197 PolarHBondContact OH-CD2 3.34Å; Y1188-H1197 VanDerWaalsContact OH-CD2 3.27Å
1189	T	88.1	Confident	92.5	Very high	41 Å²	41	70.1 Å²	70.1	25%	0.252	37%	0.368	S	S	.	.	S	Bend	trans	-76.8	-17.2	175.2	51.5	0	0	0	0	112.3	E1174 K1175 Y1177	E1174-T1189 WeakPolarHBondContact O-CG2 3.46Å; K1175-T1189 HydrophobicContact CD-CG2 4.43Å; K1175-T1189 HydrophobicContact CG-CG2 3.63Å; Y1177-T1189 WeakPolarHBondContact CE2-O 3.42Å
1190	D	87.5	Confident	92.4	Very high	15 Å²	15	75 Å²	75	8%	0.08	40%	0.398	C	S	.	.	S	Bend	trans	-140.6	157.2	179.6	81.5	91.8	0	0	0	114	Y1177 Y1188 S1192 S1193 L1194	Y1177-D1190 VanDerWaalsContact CD2-CA 3.43Å; Y1188-D1190 VanDerWaalsContact C-N 3.3Å; D1190-S1192 VanDerWaalsContact C-N 3.34Å; D1190-S1192 PolarHBondContact O-N 2.94Å; D1190-S1192 VanDerWaalsContact OD1-CA 3.26Å; D1190-S1192 WeakPolarHBondContact OD1-CA 3.37Å; D1190-S1192 VanDerWaalsContact OD1-CB 3.25Å; D1190-S1192 WeakPolarHBondContact OD1-CB 3.29Å; D1190-S1192 PolarHBondContact OD1-N 3Å; D1190-S1193 PolarHBondContact OD1-N 3.29Å; D1190-S1193 WeakPolarHBondContact OD2-CB 3.29Å; D1190-S1193 PolarHBondContact OD2-OG 3.46Å; D1190-L1194 PolarHBondContact O-N 2.94Å
1191	P	90.7	Very high	92.4	Very high	54 Å²	54	70.2 Å²	70.2	35%	0.351	38%	0.383	S	S	.	.	H	α-helix	trans	-68.9	-28.5	-178.7	-11	23.2	0	0	0	113.6	Y1177 L1194 R1195	Y1177-P1191 HydrophobicContact CD1-CB 4.26Å; Y1177-P1191 HydrophobicContact CD1-CG 4.15Å; Y1177-P1191 HydrophobicContact CE1-CB 4.2Å; Y1177-P1191 HydrophobicContact CE1-CG 3.66Å; Y1177-P1191 HydrophobicContact CE2-CG 4.08Å; P1191-L1194 PolarHBondContact O-N 2.86Å; P1191-R1195 VanDerWaalsContact O-CB 3.24Å; P1191-R1195 WeakPolarHBondContact O-CB 3.45Å; P1191-R1195 PolarHBondContact O-N 2.71Å
1192	S	90.4	Very high	92.3	Very high	62 Å²	62	71.6 Å²	71.6	43%	0.434	39%	0.388	S	S	.	.	H	α-helix	trans	-77.7	-34.3	-175.1	-64.6	0	0	0	0	111.7	D1190 R1195 K1196	D1190-S1192 VanDerWaalsContact C-N 3.34Å; D1190-S1192 PolarHBondContact O-N 2.94Å; D1190-S1192 VanDerWaalsContact OD1-CA 3.26Å; D1190-S1192 WeakPolarHBondContact OD1-CA 3.37Å; D1190-S1192 VanDerWaalsContact OD1-CB 3.25Å; D1190-S1192 WeakPolarHBondContact OD1-CB 3.29Å; D1190-S1192 PolarHBondContact OD1-N 3Å; S1192-R1195 WeakPolarHBondContact O-CB 3.21Å; S1192-R1195 PolarHBondContact O-N 3.39Å; S1192-K1196 WeakPolarHBondContact O-CB 3.31Å; S1192-K1196 VanDerWaalsContact O-CG 3.31Å; S1192-K1196 WeakPolarHBondContact O-CG 3.49Å; S1192-K1196 PolarHBondContact O-N 3.43Å
1193	S	93.3	Very high	92.1	Very high	46 Å²	46	67.3 Å²	67.3	32%	0.322	37%	0.373	S	S	.	.	H	α-helix	trans	-65.5	-41.1	168.4	-64.3	0	0	0	0	111.9	D1190 H1197	D1190-S1193 PolarHBondContact OD1-N 3.29Å; D1190-S1193 WeakPolarHBondContact OD2-CB 3.29Å; D1190-S1193 PolarHBondContact OD2-OG 3.46Å; S1193-H1197 VanDerWaalsContact O-CB 3.28Å; S1193-H1197 WeakPolarHBondContact O-CB 3.37Å; S1193-H1197 PolarHBondContact O-N 3.32Å
1194	L	95.5	Very high	91.8	Very high	26 Å²	26	66.8 Å²	66.8	14%	0.136	36%	0.361	C	S	.	.	H	α-helix	trans	-61.7	-44.7	170.4	171.5	60.3	0	0	0	111.4	T1178 C1179 Y1188 D1190 P1191 H1197 V1198	T1178-L1194 WeakPolarHBondContact O-CD2 3.04Å; C1179-L1194 HydrophobicContact CB-CD1 3.88Å; Y1188-L1194 HydrophobicContact CD2-CB 3.87Å; Y1188-L1194 HydrophobicContact CD2-CD1 4.01Å; Y1188-L1194 HydrophobicContact CE2-CD1 4.26Å; Y1188-L1194 HydrophobicContact CG-CB 4.14Å; D1190-L1194 PolarHBondContact O-N 2.94Å; P1191-L1194 PolarHBondContact O-N 2.86Å; L1194-H1197 PolarHBondContact O-N 3.43Å; L1194-V1198 HydrophobicContact CD1-CG2 3.86Å; L1194-V1198 WeakPolarHBondContact O-CG2 3.4Å; L1194-V1198 PolarHBondContact O-N 2.86Å
1195	R	95.1	Very high	91	Very high	119 Å²	119	73.9 Å²	73.9	45%	0.449	39%	0.392	S	S	.	.	H	α-helix	trans	-58.1	-50.7	178.3	-169.6	-175	-71.7	-131.4	3.2	111.3	P1191 S1192 V1198 K1199 Y1207	P1191-R1195 VanDerWaalsContact O-CB 3.24Å; P1191-R1195 WeakPolarHBondContact O-CB 3.45Å; P1191-R1195 PolarHBondContact O-N 2.71Å; S1192-R1195 WeakPolarHBondContact O-CB 3.21Å; S1192-R1195 PolarHBondContact O-N 3.39Å; R1195-V1198 PolarHBondContact O-N 3.22Å; R1195-K1199 PolarHBondContact O-N 3.28Å; R1195-K1199 VanDerWaalsContact O-N 3.14Å; R1195-Y1207 WeakPolarHBondContact CD-OH 3.21Å; R1195-Y1207 HydrophobicContact CG-CE2 3.49Å; R1195-Y1207 VanDerWaalsContact CG-CE2 3.49Å; R1195-Y1207 WeakPolarHBondContact CG-OH 3.36Å
1196	K	93.8	Very high	90.5	Very high	150 Å²	150	70.8 Å²	70.8	65%	0.652	37%	0.368	S	S	*	.	H	α-helix	trans	-58	-49.6	174.4	-74.4	174.7	179.7	-179.6	0	110.8	S1192 V1198 K1199 T1200	S1192-K1196 WeakPolarHBondContact O-CB 3.31Å; S1192-K1196 VanDerWaalsContact O-CG 3.31Å; S1192-K1196 WeakPolarHBondContact O-CG 3.49Å; S1192-K1196 PolarHBondContact O-N 3.43Å; K1196-V1198 PolarHBondContact O-N 3.47Å; K1196-K1199 PolarHBondContact O-N 2.81Å; K1196-T1200 WeakPolarHBondContact O-CG2 3.46Å; K1196-T1200 PolarHBondContact O-N 3.44Å; K1196-T1200 PolarHBondContact O-OG1 3.34Å
1197	H	94.6	Very high	89.6	Confident	9 Å²	9	67 Å²	67	4%	0.042	35%	0.351	C	S	.	.	H	α-helix	trans	-56.7	-46.9	178.1	161.3	44.3	0	0	0	113.3	C1179 C1184 Y1188 S1193 L1194 T1200 V1201 H1202	C1179-H1197 PolarHBondContact SG-NE2 3.13Å; C1184-H1197 VanDerWaalsContact SG-CE1 3.52Å; C1184-H1197 PolarHBondContact SG-NE2 2.82Å; Y1188-H1197 HydrophobicContact CE1-CB 4.18Å; Y1188-H1197 HydrophobicContact CE2-CB 4.01Å; Y1188-H1197 AromaticContact CE2-CD2 3.31Å; Y1188-H1197 WeakPolarHBondContact CE2-CD2 3.48Å; Y1188-H1197 AromaticContact CE2-CG 3.81Å; Y1188-H1197 AromaticContact CZ-CD2 3.58Å; Y1188-H1197 AromaticContact CZ-CG 3.59Å; Y1188-H1197 WeakPolarHBondContact OH-CB 3.36Å; Y1188-H1197 PolarHBondContact OH-CD2 3.34Å; Y1188-H1197 VanDerWaalsContact OH-CD2 3.27Å; S1193-H1197 VanDerWaalsContact O-CB 3.28Å; S1193-H1197 WeakPolarHBondContact O-CB 3.37Å; S1193-H1197 PolarHBondContact O-N 3.32Å; L1194-H1197 PolarHBondContact O-N 3.43Å; H1197-T1200 PolarHBondContact O-N 2.79Å; H1197-V1201 WeakPolarHBondContact ND1-CB 3.24Å; H1197-V1201 VanDerWaalsContact ND1-CG2 3.28Å; H1197-V1201 WeakPolarHBondContact ND1-CG2 3.31Å; H1197-V1201 WeakPolarHBondContact O-CB 3.43Å; H1197-V1201 PolarHBondContact O-N 3.14Å; H1197-H1202 AromaticContact CD2-NE2 3.97Å; H1197-H1202 AromaticContact CE1-CD2 3.82Å; H1197-H1202 AromaticContact CE1-NE2 2.9Å; H1197-H1202 PolarHBondContact CE1-NE2 3.33Å; H1197-H1202 AromaticContact NE2-CD2 3.93Å; H1197-H1202 AromaticContact NE2-NE2 2.73Å; H1197-H1202 PolarHBondContact NE2-NE2 3.35Å
1198	V	94	Very high	88.8	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.012	34%	0.34	C	S	.	.	H	α-helix	trans	-63.1	-45.3	179.4	178.7	0	0	0	0	110	V1181 L1194 R1195 K1196 T1200 H1202 G1203 V1206 Y1207	V1181-V1198 HydrophobicContact CG2-CG1 4.41Å; L1194-V1198 HydrophobicContact CD1-CG2 3.86Å; L1194-V1198 WeakPolarHBondContact O-CG2 3.4Å; L1194-V1198 PolarHBondContact O-N 2.86Å; R1195-V1198 PolarHBondContact O-N 3.22Å; K1196-V1198 PolarHBondContact O-N 3.47Å; V1198-T1200 VanDerWaalsContact C-N 3.35Å; V1198-T1200 PolarHBondContact O-N 3.47Å; V1198-H1202 HydrophobicContact CG1-CB 4.44Å; V1198-H1202 CarbonylContact O-C 3.4Å; V1198-H1202 WeakPolarHBondContact O-CA 3.39Å; V1198-H1202 WeakPolarHBondContact O-CB 3.25Å; V1198-H1202 PolarHBondContact O-N 2.83Å; V1198-G1203 PolarHBondContact O-N 2.84Å; V1198-V1206 HydrophobicContact CG1-CG1 4.33Å; V1198-Y1207 HydrophobicContact CB-CD2 4.34Å; V1198-Y1207 HydrophobicContact CG1-CD2 4.24Å
1199	K	94.6	Very high	87.3	Confident	104 Å²	104	65 Å²	65	45%	0.452	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-34.4	178.5	-167.9	169.6	-177.5	169.3	0	113.3	E1024 R1195 K1196 G1203 Y1207	E1024-K1199 IonicContact OE2-NZ 3.17Å; R1195-K1199 PolarHBondContact O-N 3.28Å; R1195-K1199 VanDerWaalsContact O-N 3.14Å; K1196-K1199 PolarHBondContact O-N 2.81Å; K1199-G1203 CarbonylContact O-C 3.03Å; K1199-G1203 WeakPolarHBondContact O-CA 3.45Å; K1199-Y1207 HydrophobicContact CB-CD1 4.05Å; K1199-Y1207 HydrophobicContact CB-CD2 4.37Å; K1199-Y1207 HydrophobicContact CB-CG 3.89Å; K1199-Y1207 HydrophobicContact CD-CD1 3.86Å; K1199-Y1207 HydrophobicContact CD-CE1 4.03Å; K1199-Y1207 HydrophobicContact CG-CD1 3.97Å; K1199-Y1207 HydrophobicContact CG-CG 4.27Å
1200	T	94.2	Very high	85.7	Confident	112 Å²	112	67.3 Å²	67.3	69%	0.687	37%	0.367	S	S	*	.	H	α-helix	trans	-95	-29.8	-176	59.2	0	0	0	0	115.5	K1196 H1197 V1198	K1196-T1200 WeakPolarHBondContact O-CG2 3.46Å; K1196-T1200 PolarHBondContact O-N 3.44Å; K1196-T1200 PolarHBondContact O-OG1 3.34Å; H1197-T1200 PolarHBondContact O-N 2.79Å; V1198-T1200 VanDerWaalsContact C-N 3.35Å; V1198-T1200 PolarHBondContact O-N 3.47Å
1201	V	92.8	Very high	84	Confident	77 Å²	77	71 Å²	71	47%	0.467	38%	0.383	S	S	.	.	H	α-helix	trans	-102.7	-29.2	-175.9	-177.3	0	0	0	0	112.3	H1197	H1197-V1201 WeakPolarHBondContact ND1-CB 3.24Å; H1197-V1201 VanDerWaalsContact ND1-CG2 3.28Å; H1197-V1201 WeakPolarHBondContact ND1-CG2 3.31Å; H1197-V1201 WeakPolarHBondContact O-CB 3.43Å; H1197-V1201 PolarHBondContact O-N 3.14Å
1202	H	92	Very high	81.7	Confident	53 Å²	53	74 Å²	74	25%	0.245	39%	0.392	C	S	.	.	S	Bend	trans	-110.9	4	178.5	-54.5	-55.3	0	0	0	112.7	C1179 V1181 C1184 H1197 V1198 V1206	C1179-H1202 PolarHBondContact SG-NE2 2.9Å; V1181-H1202 HydrophobicContact CG1-CB 4.34Å; V1181-H1202 HydrophobicContact CG2-CB 4.42Å; C1184-H1202 WeakPolarHBondContact CB-CE1 3.46Å; C1184-H1202 WeakPolarHBondContact CB-NE2 3.17Å; C1184-H1202 PolarHBondContact SG-CE1 2.8Å; C1184-H1202 PolarHBondContact SG-NE2 2.84Å; H1197-H1202 AromaticContact CD2-NE2 3.97Å; H1197-H1202 AromaticContact CE1-CD2 3.82Å; H1197-H1202 AromaticContact CE1-NE2 2.9Å; H1197-H1202 PolarHBondContact CE1-NE2 3.33Å; H1197-H1202 AromaticContact NE2-CD2 3.93Å; H1197-H1202 AromaticContact NE2-NE2 2.73Å; H1197-H1202 PolarHBondContact NE2-NE2 3.35Å; V1198-H1202 HydrophobicContact CG1-CB 4.44Å; V1198-H1202 CarbonylContact O-C 3.4Å; V1198-H1202 WeakPolarHBondContact O-CA 3.39Å; V1198-H1202 WeakPolarHBondContact O-CB 3.25Å; V1198-H1202 PolarHBondContact O-N 2.83Å; H1202-V1206 HydrophobicContact CB-CB 3.85Å; H1202-V1206 HydrophobicContact CB-CG1 3.88Å; H1202-V1206 HydrophobicContact CB-CG2 4.25Å; H1202-V1206 WeakPolarHBondContact O-CB 3.26Å; H1202-V1206 WeakPolarHBondContact O-CG2 3.24Å
1203	G	85.6	Confident	78.8	Confident	31 Å²	31	80.8 Å²	80.8	32%	0.32	41%	0.414	S	S	.	.	H	α-helix	trans	77.3	174.3	177.1	0	0	0	0	0	114.7	V1198 K1199 E1205 Y1207	V1198-G1203 PolarHBondContact O-N 2.84Å; K1199-G1203 CarbonylContact O-C 3.03Å; K1199-G1203 WeakPolarHBondContact O-CA 3.45Å; G1203-E1205 VanDerWaalsContact C-N 3.34Å; G1203-E1205 PolarHBondContact O-N 3.48Å; G1203-Y1207 WeakPolarHBondContact O-CB 3.41Å; G1203-Y1207 PolarHBondContact O-N 3.05Å
1204	A	81.4	Confident	75.8	Confident	66 Å²	66	81.3 Å²	81.3	55%	0.545	43%	0.426	S	S	.	.	H	α-helix	trans	-66.7	-33.2	-178.2	0	0	0	0	0	112.9	Y1207 A1208	A1204-Y1207 WeakPolarHBondContact O-CB 2.94Å; A1204-Y1207 PolarHBondContact O-N 3.14Å; A1204-A1208 WeakPolarHBondContact O-CB 3.34Å; A1204-A1208 PolarHBondContact O-N 3.19Å
1205	E	77	Confident	72.7	Confident	161 Å²	161	87.9 Å²	87.9	75%	0.752	46%	0.456	S	S	*	.	H	α-helix	trans	-66.3	-51.6	-177.5	-63.6	170.9	-168.8	0	0	112.1	G1203 Y1207 A1208 N1209	G1203-E1205 VanDerWaalsContact C-N 3.34Å; G1203-E1205 PolarHBondContact O-N 3.48Å; E1205-Y1207 PolarHBondContact O-N 2.74Å; E1205-A1208 PolarHBondContact O-N 3.41Å; E1205-N1209 PolarHBondContact O-N 3.29Å; E1205-N1209 PolarHBondContact O-ND2 3.32Å
1206	V	80.3	Confident	69.7	Low	52 Å²	52	86.9 Å²	86.9	32%	0.315	47%	0.467	S	S	.	.	H	α-helix	trans	-66.2	-25.8	176.8	-176.2	0	0	0	0	111.4	V1181 V1198 H1202	V1181-V1206 HydrophobicContact CB-CG1 4.43Å; V1181-V1206 HydrophobicContact CG1-CG1 3.99Å; V1181-V1206 HydrophobicContact CG2-CG1 3.51Å; V1198-V1206 HydrophobicContact CG1-CG1 4.33Å; H1202-V1206 HydrophobicContact CB-CB 3.85Å; H1202-V1206 HydrophobicContact CB-CG1 3.88Å; H1202-V1206 HydrophobicContact CB-CG2 4.25Å; H1202-V1206 WeakPolarHBondContact O-CB 3.26Å; H1202-V1206 WeakPolarHBondContact O-CG2 3.24Å
1207	Y	76.6	Confident	66.5	Low	30 Å²	30	90.3 Å²	90.3	12%	0.118	48%	0.476	C	S	.	.	H	α-helix	trans	-72.8	-47.5	171.4	178.3	-116.1	0	0	0	112.7	R1195 V1198 K1199 G1203 A1204 E1205 N1209 K1210	R1195-Y1207 WeakPolarHBondContact CD-OH 3.21Å; R1195-Y1207 HydrophobicContact CG-CE2 3.49Å; R1195-Y1207 VanDerWaalsContact CG-CE2 3.49Å; R1195-Y1207 WeakPolarHBondContact CG-OH 3.36Å; V1198-Y1207 HydrophobicContact CB-CD2 4.34Å; V1198-Y1207 HydrophobicContact CG1-CD2 4.24Å; K1199-Y1207 HydrophobicContact CB-CD1 4.05Å; K1199-Y1207 HydrophobicContact CB-CD2 4.37Å; K1199-Y1207 HydrophobicContact CB-CG 3.89Å; K1199-Y1207 HydrophobicContact CD-CD1 3.86Å; K1199-Y1207 HydrophobicContact CD-CE1 4.03Å; K1199-Y1207 HydrophobicContact CG-CD1 3.97Å; K1199-Y1207 HydrophobicContact CG-CG 4.27Å; G1203-Y1207 WeakPolarHBondContact O-CB 3.41Å; G1203-Y1207 PolarHBondContact O-N 3.05Å; A1204-Y1207 WeakPolarHBondContact O-CB 2.94Å; A1204-Y1207 PolarHBondContact O-N 3.14Å; E1205-Y1207 PolarHBondContact O-N 2.74Å; Y1207-N1209 VanDerWaalsContact C-N 3.31Å; Y1207-N1209 PolarHBondContact O-N 2.91Å; Y1207-K1210 PolarHBondContact O-N 3.43Å; Y1207-K1210 VanDerWaalsContact O-N 3.16Å
1208	A	75.3	Confident	63.6	Low	40 Å²	40	94 Å²	94	33%	0.331	50%	0.503	S	S	.	.	H	α-helix	trans	-60.7	-39	178.7	0	0	0	0	0	112.2	A1204 E1205 K1210 K1211	A1204-A1208 WeakPolarHBondContact O-CB 3.34Å; A1204-A1208 PolarHBondContact O-N 3.19Å; E1205-A1208 PolarHBondContact O-N 3.41Å; A1208-K1210 PolarHBondContact O-N 2.91Å; A1208-K1211 PolarHBondContact O-N 2.86Å
1209	N	60.1	Low	60.8	Low	115 Å²	115	100.8 Å²	100.8	62%	0.615	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-6	177.4	-72.9	-22.8	0	0	0	114.8	E1205 Y1207	E1205-N1209 PolarHBondContact O-N 3.29Å; E1205-N1209 PolarHBondContact O-ND2 3.32Å; Y1207-N1209 VanDerWaalsContact C-N 3.31Å; Y1207-N1209 PolarHBondContact O-N 2.91Å
1210	K	55.5	Low	57.7	Low	90 Å²	90	106.1 Å²	106.1	39%	0.391	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.3	-16.9	168	-74.8	-179.5	178	170.1	0	114.7	Y1207 A1208 H1212	Y1207-K1210 PolarHBondContact O-N 3.43Å; Y1207-K1210 VanDerWaalsContact O-N 3.16Å; A1208-K1210 PolarHBondContact O-N 2.91Å; K1210-H1212 VanDerWaalsContact C-N 3.35Å
1211	K	50.5	Low	55	Low	92 Å²	92	106.5 Å²	106.5	40%	0.4	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.5	-25.3	171.1	-87.2	-174.1	163.9	-175.2	0	112.4	E1024 A1208	E1024-K1211 IonicContact OE1-NZ 2.64Å; E1024-K1211 PolarHBondContact OE1-NZ 2.58Å; A1208-K1211 PolarHBondContact O-N 2.86Å
1212	H	42.1	Very low	52.1	Low	116 Å²	116	108.7 Å²	108.7	54%	0.537	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.4	12.4	-173.4	-64.6	-68.5	0	0	0	116.2	K1210 G1214	K1210-H1212 VanDerWaalsContact C-N 3.35Å; H1212-G1214 PolarHBondContact O-N 2.89Å
1213	K	30.9	Very low	49.2	Very low	206 Å²	206	109.9 Å²	109.9	90%	0.896	61%	0.605	S	S	*	*	S	Bend	trans	-89.9	64	162.9	-72.8	-153.7	171.4	-166.9	0	110
1214	G	30.8	Very low	46.6	Very low	56 Å²	56	112.3 Å²	112.3	58%	0.577	63%	0.63	S	S	*	*	S	Bend	trans	160.6	93.2	-169.9	0	0	0	0	0	106.5	H1212	H1212-G1214 PolarHBondContact O-N 2.89Å
1215	E	28.5	Very low	44.3	Very low	164 Å²	164	115.5 Å²	115.5	77%	0.766	65%	0.648	S	S	*	*			trans	63.6	119.8	-171.6	-64	173.5	-143.8	0	0	116
1216	S	32.2	Very low	42.3	Very low	98 Å²	98	111.3 Å²	111.3	69%	0.685	65%	0.648	S	S	*	*			trans	-99.2	114.1	171.6	174.5	0	0	0	0	109.4
1217	W	27.3	Very low	39.9	Very low	222 Å²	222	119.6 Å²	119.6	84%	0.841	68%	0.68	S	S	*	*			trans	-115.4	89.5	163.8	-89.3	55.6	0	0	0	108.5
1218	S	33.5	Very low	37.7	Very low	86 Å²	86	122.2 Å²	122.2	60%	0.601	72%	0.716	S	S	*	*			trans	-85.6	134.9	175	49.1	0	0	0	0	111.3
1219	D	35.6	Very low	35.7	Very low	146 Å²	146	124.2 Å²	124.2	78%	0.781	74%	0.741	S	S	*	*			trans	54.2	109	153.9	-53.4	-43.9	0	0	0	119.7	P1221	D1219-P1221 VanDerWaalsContact C-CD 3.5Å; D1219-P1221 WeakPolarHBondContact O-CD 3.43Å
1220	R	30	Very low	34.3	Very low	216 Å²	216	121.9 Å²	121.9	82%	0.815	74%	0.744	S	S	*	*			trans	-102.8	89.5	157.4	-79.2	-171.3	175.6	-177.3	1.4	111.6	C1222	R1220-C1222 PolarHBondContact O-N 2.91Å
1221	P	37.5	Very low	33.1	Very low	119 Å²	119	126.2 Å²	126.2	77%	0.773	77%	0.765	S	S	*	*			trans	-71	117.9	156.1	30.1	-30.6	0	0	0	108.8	D1219	D1219-P1221 VanDerWaalsContact C-CD 3.5Å; D1219-P1221 WeakPolarHBondContact O-CD 3.43Å
1222	C	31.1	Very low	32	Very low	123 Å²	123	127.3 Å²	127.3	83%	0.831	78%	0.775	S	S	*	*			trans	-94.2	112.6	176.8	-67.5	0	0	0	0	111.1	R1220	R1220-C1222 PolarHBondContact O-N 2.91Å
1223	G	30.7	Very low	31.4	Very low	79 Å²	79	130.9 Å²	130.9	81%	0.814	79%	0.789	S	S	*	*			trans	147.1	151.4	163.1	0	0	0	0	0	115
1224	G	32	Very low	31.4	Very low	81 Å²	81	124.1 Å²	124.1	84%	0.835	78%	0.778	S	S	*	*			trans	97.3	55.3	159.4	0	0	0	0	0	117.9	G1226	G1224-G1226 PolarHBondContact O-N 3.14Å
1225	S	33.6	Very low	31.3	Very low	134 Å²	134	129.2 Å²	129.2	94%	0.937	79%	0.792	S	S	*	*			trans	-72.9	107.3	156.9	55.6	0	0	0	0	109.7
1226	G	33.4	Very low	31.4	Very low	73 Å²	73	125.4 Å²	125.4	75%	0.753	78%	0.783	S	S	*	*			trans	-172	77.3	-177.6	0	0	0	0	0	114.9	G1224	G1224-G1226 PolarHBondContact O-N 3.14Å
1227	F	31	Very low	31.4	Very low	226 Å²	226	127.1 Å²	127.1	99%	0.991	79%	0.785	S	S	*	*			trans	-90.1	126.2	160.5	-93.9	-84	0	0	0	109.2
1228	G	31	Very low	31.7	Very low	84 Å²	84	122.6 Å²	122.6	87%	0.866	78%	0.777	S	S	*	*			trans	161.5	93.1	174.1	0	0	0	0	0	114.2
1229	G	33.2	Very low	31.6	Very low	83 Å²	83	124.2 Å²	124.2	86%	0.856	78%	0.779	S	S	*	*			trans	-177.2	127.4	169.3	0	0	0	0	0	111.5
1230	G	30.4	Very low	31.5	Very low	65 Å²	65	124.3 Å²	124.3	67%	0.67	78%	0.779	S	S	*	*			cis	168.9	148.4	-11.3	0	0	0	0	0	113.3
1231	H	29.3	Very low	31.7	Very low	182 Å²	182	119.1 Å²	119.1	84%	0.843	78%	0.776	S	S	*	*			trans	-167	149.1	166	-89.2	-74.3	0	0	0	108
1232	L	28.8	Very low	31.1	Very low	114 Å²	114	124.4 Å²	124.4	60%	0.597	78%	0.782	S	S	*	*			cis	-162.9	149.8	-33.7	-126.1	-172.7	0	0	0	107.8
1233	F	29.3	Very low	31.3	Very low	192 Å²	192	123.6 Å²	123.6	84%	0.842	78%	0.776	S	S	*	*			trans	64.7	147.7	176	-48.7	-69.8	0	0	0	117.5
1234	G	29.4	Very low	31.1	Very low	64 Å²	64	124.7 Å²	124.7	66%	0.66	77%	0.771	S	S	*	*			cis	-177.6	166.2	-7	0	0	0	0	0	114.9
1235	N	30	Very low	30.9	Very low	163 Å²	163	129.4 Å²	129.4	87%	0.872	77%	0.771	S	S	*	*			trans	66.4	148.1	170.3	-65.2	-2.7	0	0	0	120.7
1236	S	30.2	Very low	30.7	Very low	84 Å²	84	128.4 Å²	128.4	59%	0.587	76%	0.756	S	S	*	*			cis	-173.2	177.2	-44.3	54	0	0	0	0	109.5
1237	N	32.8	Very low	30.7	Very low	134 Å²	134	131.7 Å²	131.7	72%	0.717	75%	0.749	S	S	*	*			trans	81.7	130.5	166.2	-50.2	-1	0	0	0	115.4
1238	N	32.7	Very low	30.7	Very low	127 Å²	127	131.6 Å²	131.6	68%	0.679	74%	0.742	S	S	*	*			cis	-156.1	153.4	-2.8	-119.5	-1.6	0	0	0	115.4
1239	N	32.5	Very low	30.6	Very low	120 Å²	120	132.1 Å²	132.1	64%	0.642	73%	0.732	S	S	*	*			trans	77.9	120.3	151.1	-60.4	-6.7	0	0	0	122.1
1240	N	33.6	Very low	30.5	Very low	147 Å²	147	135.8 Å²	135.8	79%	0.786	73%	0.732	S	S	*	*			trans	76.1	128.1	140.3	-60.6	1	0	0	0	119.1
1241	S	32.7	Very low	30.4	Very low	108 Å²	108	136.1 Å²	136.1	76%	0.755	74%	0.736	S	S	*	*			cis	-152.4	162.1	-1.3	-89.1	0	0	0	0	113.2
1242	Y	26	Very low	30.6	Very low	229 Å²	229	133.2 Å²	133.2	90%	0.898	74%	0.736	S	S	*	*			trans	-72.5	162.1	178.9	-99.1	-118.4	0	0	0	114.2
1243	P	35.8	Very low	30.5	Very low	107 Å²	107	136.3 Å²	136.3	70%	0.695	75%	0.749	S	S	*	*			trans	-93.3	160.7	177.8	38	-35.6	0	0	0	113.6
1244	S	26.2	Very low	31.3	Very low	102 Å²	102	132.6 Å²	132.6	71%	0.713	75%	0.745	S	S	*	*			trans	-175.2	130.3	142.5	-89.4	0	0	0	0	113.8
1245	Q	27.6	Very low	31.4	Very low	179 Å²	179	133.4 Å²	133.4	84%	0.836	75%	0.753	S	S	*	*			trans	65.6	158.1	152.3	-56.2	176.3	0.6	0	0	116.5
1246	D	28.1	Very low	31.4	Very low	114 Å²	114	132.2 Å²	132.2	61%	0.61	75%	0.745	S	S	*	*			cis	-151.6	171.2	7.7	-156.4	3	0	0	0	113.6
1247	K	33.6	Very low	31.4	Very low	141 Å²	141	137.5 Å²	137.5	61%	0.613	75%	0.752	S	S	*	*			trans	78.5	101.4	156.1	-66.9	167.3	-174.3	70.3	0	120.6
1248	R	30.6	Very low	31.2	Very low	225 Å²	225	134.8 Å²	134.8	85%	0.849	76%	0.755	S	S	*	*				69.7	142.7	123	-64.4	170.8	-172.7	-171.3	-0	119.1
1249	S	30.4	Very low	31	Very low	94 Å²	94	138.6 Å²	138.6	66%	0.657	76%	0.76	S	S	*	*			cis	-166.8	146.7	-13.9	50.1	0	0	0	0	110.8
1250	N	31	Very low	31	Very low	160 Å²	160	141.4 Å²	141.4	86%	0.856	77%	0.767	S	S	*	*				164.9	124.9	126.3	-81.7	-5.7	0	0	0	109.9
1251	G	28.3	Very low	30.8	Very low	72 Å²	72	138 Å²	138	74%	0.742	77%	0.767	S	S	*	*			trans	-117.9	158.6	165.7	0	0	0	0	0	110
1252	S	33.5	Very low	31.3	Very low	121 Å²	121	138.3 Å²	138.3	85%	0.846	77%	0.766	S	S	*	*			trans	-165.4	135.6	168.3	-84.8	0	0	0	0	112.3
1253	M	26.9	Very low	31.5	Very low	179 Å²	179	139.3 Å²	139.3	88%	0.882	77%	0.768	S	S	*	*			trans	137	146.5	156.1	-78.9	-63.9	175.6	0	0	110.9
1254	P	45.8	Very low	31.1	Very low	115 Å²	115	137.3 Å²	137.3	75%	0.747	77%	0.767	S	S	*	*			cis	-128.8	169.1	-25.7	37.5	-22.1	0	0	0	113.2
1255	G	30.4	Very low	31.3	Very low	80 Å²	80	138.9 Å²	138.9	83%	0.825	77%	0.765	S	S	*	*			trans	-163	37.8	-172.8	0	0	0	0	0	118.8
1256	I	30.3	Very low	31.4	Very low	139 Å²	139	135.9 Å²	135.9	71%	0.713	76%	0.755	S	S	*	*			trans	-33.4	128.2	176.5	-63.3	156.4	0	0	0	117.1
1257	R	29.8	Very low	31.6	Very low	195 Å²	195	136.1 Å²	136.1	74%	0.736	76%	0.756	S	S	*	*				175.4	125.7	110.7	-122.1	146.4	-163.9	-156.2	6.1	117.4
1258	G	28.9	Very low	31.4	Very low	76 Å²	76	137.2 Å²	137.2	78%	0.784	77%	0.768	S	S	*	*			trans	70.9	164.3	148.3	0	0	0	0	0	119.1
1259	R	29.8	Very low	31.4	Very low	208 Å²	208	130.3 Å²	130.3	79%	0.785	77%	0.767	S	S	*	*			cis	-163.6	159.8	-14.7	-146.3	-175.9	-162.7	-152.2	9.1	109.7
1260	F	30.9	Very low	31.3	Very low	179 Å²	179	133.3 Å²	133.3	79%	0.785	78%	0.776	S	S	*	*			trans	71.8	142.8	167.5	-60.1	-69.3	0	0	0	121
1261	G	29.3	Very low	31.4	Very low	75 Å²	75	132.7 Å²	132.7	77%	0.773	77%	0.771	S	S	*	*				106.3	112.5	120.5	0	0	0	0	0	118.5
1262	P	43.7	Very low	31.6	Very low	114 Å²	114	138.5 Å²	138.5	74%	0.74	78%	0.776	S	S	*	*			trans	-111.7	165.9	173.8	40	-31.9	0	0	0	114.4
1263	R	29.5	Very low	31.4	Very low	250 Å²	250	140.4 Å²	140.4	94%	0.943	77%	0.771	S	S	*	*			trans	72.1	148.2	178.8	-48.5	176	-179	-176.8	-0.5	113.5
1264	G	28	Very low	31.5	Very low	65 Å²	65	140.2 Å²	140.2	67%	0.67	76%	0.761	S	S	*	*			cis	155	178.2	-6.8	0	0	0	0	0	112.4
1265	M	31.4	Very low	30.9	Very low	136 Å²	136	137 Å²	137	67%	0.67	75%	0.749	S	S	*	*			trans	81.5	127	173.6	-48.9	-174.1	76.6	0	0	117.1
1266	N	30.2	Very low	30.9	Very low	116 Å²	116	136 Å²	136	62%	0.62	73%	0.727	S	S	*	*				57	143.5	120.9	-62.9	49.1	0	0	0	120.3
1267	D	30.8	Very low	31.2	Very low	118 Å²	118	135.1 Å²	135.1	63%	0.631	72%	0.715	S	S	*	*			cis	-160.1	172.4	-0.2	-99.7	-26.2	0	0	0	110.7
1268	N	29.7	Very low	31.4	Very low	164 Å²	164	130.4 Å²	130.4	88%	0.877	71%	0.708	S	S	*	*			trans	69.1	144.2	161.5	-58.7	-42	0	0	0	118.9
1269	G	31.6	Very low	31.6	Very low	80 Å²	80	132.4 Å²	132.4	83%	0.825	70%	0.701	S	S	*	*			trans	149	49.9	175.3	0	0	0	0	0	116.1
1270	N	27.7	Very low	31.6	Very low	157 Å²	157	131.6 Å²	131.6	84%	0.84	70%	0.698	S	S	*	*			trans	-73.1	173.6	167.7	-101.4	-21.4	0	0	0	111.3
1271	I	33.4	Very low	31.7	Very low	147 Å²	147	129.6 Å²	129.6	75%	0.754	69%	0.691	S	S	*	*			trans	102.3	102.2	154.6	-71.8	144	0	0	0	119.6
1272	F	32	Very low	31.8	Very low	194 Å²	194	133.7 Å²	133.7	85%	0.851	69%	0.69	S	S	*	*			trans	87.9	173.6	135.8	-83.9	-111.1	0	0	0	122.6
1273	H	29.4	Very low	31	Very low	162 Å²	162	139.6 Å²	139.6	75%	0.75	70%	0.697	S	S	*	*			trans	-147.3	138.6	-138	-125.6	-59.7	0	0	0	111.4
1274	R	28.8	Very low	31.4	Very low	175 Å²	175	132.9 Å²	132.9	66%	0.66	69%	0.686	S	S	*	*			trans	55.3	106.3	139.5	-172.7	-172.7	-110.3	170.1	-4.2	119.4	M2047	R1274-M2047 HydrophobicContact CG-CG 4.31Å; R1274-M2047 HydrophobicContact CG-SD 4.22Å; R1274-M2047 WeakPolarHBondContact O-CG 3.23Å
1275	G	32.2	Very low	31.5	Very low	48 Å²	48	134.2 Å²	134.2	50%	0.495	69%	0.685	S	S	.	*			trans	-135	155.8	161.8	0	0	0	0	0	111.4
1276	T	32.3	Very low	31.4	Very low	59 Å²	59	132.8 Å²	132.8	36%	0.362	69%	0.689	S	S	.	*			trans	-172.5	172.8	-153.8	-13.3	0	0	0	0	114.5	E2046 M2047 H2048	T1276-E2046 CarbonylContact O-C 3.38Å; T1276-E2046 VanDerWaalsContact O-C 3.27Å; T1276-M2047 VanDerWaalsContact N-CA 3.26Å; T1276-M2047 CarbonylContact O-C 3.41Å; T1276-M2047 WeakPolarHBondContact O-CA 3.44Å; T1276-M2047 PolarHBondContact O-N 3.3Å; T1276-H2048 VanDerWaalsContact CB-N 3.31Å; T1276-H2048 PolarHBondContact OG1-N 2.69Å
1277	Y	36.3	Very low	31.4	Very low	120 Å²	120	132.5 Å²	132.5	47%	0.471	70%	0.696	S	S	.	*			trans	73.6	161.5	162.3	-89	-133.2	0	0	0	118.2	M2047 F2049	Y1277-M2047 WeakPolarHBondContact CB-O 3.34Å; Y1277-F2049 HydrophobicContact CD1-CD2 4.47Å; Y1277-F2049 HydrophobicContact CE1-CB 4.11Å; Y1277-F2049 AromaticContact CE1-CD2 3.92Å; Y1277-F2049 HydrophobicContact CE1-CD2 3.92Å; Y1277-F2049 HydrophobicContact CE2-CB 4.38Å; Y1277-F2049 WeakPolarHBondContact CE2-O 3.23Å; Y1277-F2049 WeakPolarHBondContact OH-CB 3.4Å; Y1277-F2049 PolarHBondContact OH-O 3.06Å
1278	T	33	Very low	31.6	Very low	95 Å²	95	132.5 Å²	132.5	58%	0.583	71%	0.705	S	S	*	*			cis	-169.4	138.4	-42	31	0	0	0	0	107.8
1279	D	32.6	Very low	31.6	Very low	118 Å²	118	132.4 Å²	132.4	63%	0.631	70%	0.704	S	S	*	*				-178.7	135.8	126.2	-116.1	8.2	0	0	0	111.1
1280	R	30.7	Very low	32.2	Very low	192 Å²	192	133.1 Å²	133.1	73%	0.725	70%	0.695	S	S	*	*				72.5	143.5	100.7	-97.6	-167.4	178.4	115.3	-12.4	114.4
1281	E	32.1	Very low	32.4	Very low	136 Å²	136	136.6 Å²	136.6	64%	0.636	70%	0.696	S	S	*	*			cis	-151.5	157.2	23.8	-87.7	-141.7	102.4	0	0	116.2
1282	Q	32.4	Very low	32.2	Very low	162 Å²	162	135.6 Å²	135.6	76%	0.757	69%	0.692	S	S	*	*			trans	75.4	160	140.2	-73.1	179.4	40.4	0	0	124.5
1283	R	26.3	Very low	32.2	Very low	237 Å²	237	131.6 Å²	131.6	89%	0.894	69%	0.688	S	S	*	*			trans	-103.7	-171.2	-174.1	-80.3	178.1	167.5	-178.3	-2.8	108.4
1284	P	38.2	Very low	32.2	Very low	109 Å²	109	129.6 Å²	129.6	71%	0.708	69%	0.691	S	S	*	*			cis	-155	173.4	22.2	44	-20.5	0	0	0	122
1285	S	29.6	Very low	32.3	Very low	94 Å²	94	130 Å²	130	66%	0.657	71%	0.705	S	S	*	*			trans	62.5	132.4	135.4	64.1	0	0	0	0	124.7
1286	S	30.7	Very low	32.2	Very low	106 Å²	106	131.7 Å²	131.7	74%	0.741	72%	0.715	S	S	*	*				73.5	153.4	128.7	66	0	0	0	0	120.4
1287	S	29.9	Very low	31.9	Very low	109 Å²	109	134.3 Å²	134.3	76%	0.762	74%	0.735	S	S	*	*			cis	-177.2	144.7	-22.7	53.2	0	0	0	0	110.3
1288	S	35.6	Very low	31.5	Very low	119 Å²	119	136.2 Å²	136.2	83%	0.832	75%	0.752	S	S	*	*				177	141.9	129.1	51.8	0	0	0	0	114.1
1289	N	29.2	Very low	31.4	Very low	161 Å²	161	137 Å²	137	86%	0.861	76%	0.761	S	S	*	*			trans	-123.6	-178.4	161.3	-111.5	-5.9	0	0	0	105.5
1290	P	44.5	Very low	31.2	Very low	95 Å²	95	138.2 Å²	138.2	62%	0.617	77%	0.768	S	S	*	*			cis	-130.1	-171	-25.1	39.3	-22.7	0	0	0	111.6
1291	R	30.2	Very low	32.1	Very low	231 Å²	231	134.7 Å²	134.7	87%	0.872	77%	0.77	S	S	*	*			trans	159.1	157.9	137.2	-90.7	168.7	173	-179.8	-0.1	110.9
1292	D	30.5	Very low	32	Very low	125 Å²	125	133.5 Å²	133.5	67%	0.668	77%	0.771	S	S	*	*			cis	176.4	164.7	-38.3	-101.3	-42	0	0	0	106.9
1293	S	32.7	Very low	31.8	Very low	110 Å²	110	133.1 Å²	133.1	77%	0.769	77%	0.769	S	S	*	*			trans	74.7	114.6	178.7	-29.6	0	0	0	0	113.5
1294	C	27.7	Very low	32	Very low	121 Å²	121	127.1 Å²	127.1	82%	0.818	76%	0.759	S	S	*	*			cis	62.9	99.2	30.2	-51	0	0	0	0	114.7
1295	L	30.9	Very low	31.7	Very low	182 Å²	182	127.2 Å²	127.2	95%	0.953	76%	0.758	S	S	*	*				-177.6	169.1	113	-96.4	162.8	0	0	0	110.3
1296	A	29.9	Very low	31.6	Very low	84 Å²	84	128.2 Å²	128.2	69%	0.694	76%	0.76	S	S	*	*			trans	-131.7	175.5	-172	0	0	0	0	0	112.1
1297	C	27.8	Very low	31.6	Very low	115 Å²	115	130.5 Å²	130.5	78%	0.777	76%	0.762	S	S	*	*			trans	81.2	113.4	161.9	-64.4	0	0	0	0	119.2
1298	L	28	Very low	31.6	Very low	159 Å²	159	133 Å²	133	83%	0.832	76%	0.762	S	S	*	*			trans	90.1	138.4	134.5	-64.2	166.1	0	0	0	120.8
1299	S	29.3	Very low	31.7	Very low	112 Å²	112	133 Å²	133	78%	0.783	76%	0.759	S	S	*	*			trans	77.4	118.4	157	-58.8	0	0	0	0	119.2
1300	N	28.9	Very low	31.7	Very low	144 Å²	144	130.4 Å²	130.4	77%	0.77	75%	0.749	S	S	*	*			trans	-53.7	153	160.8	-60.7	-24.4	0	0	0	110.9	V1302	N1300-V1302 HydrophobicContact CB-CG2 4.15Å
1301	P	50.3	Low	30.8	Very low	118 Å²	118	132.8 Å²	132.8	77%	0.766	76%	0.756	S	S	*	*				-107.1	138.5	105.5	30.9	-35.2	0	0	0	111.4
1302	V	29.3	Very low	31	Very low	110 Å²	110	129.4 Å²	129.4	67%	0.667	75%	0.754	S	S	*	*			cis	71.1	114.7	45.8	179.7	0	0	0	0	109.6	N1300	N1300-V1302 HydrophobicContact CB-CG2 4.15Å
1303	H	28.3	Very low	30.7	Very low	154 Å²	154	130.5 Å²	130.5	71%	0.713	76%	0.76	S	S	*	*			cis	-169.7	-176	1.1	-137.1	-133.5	0	0	0	108.7
1304	T	29.7	Very low	30.5	Very low	112 Å²	112	128.3 Å²	128.3	69%	0.687	75%	0.748	S	S	*	*			trans	59.1	143.7	149	50.1	0	0	0	0	120.2
1305	T	31.8	Very low	30.5	Very low	111 Å²	111	131.2 Å²	131.2	68%	0.681	75%	0.75	S	S	*	*			cis	-161.1	144.2	-3.4	17.7	0	0	0	0	109.7
1306	T	28.2	Very low	30.6	Very low	114 Å²	114	126.6 Å²	126.6	70%	0.699	73%	0.733	S	S	*	*				34.9	138.2	117.3	-17.9	0	0	0	0	117.7
1307	I	31.4	Very low	31.1	Very low	154 Å²	154	129.7 Å²	129.7	79%	0.79	74%	0.736	S	S	*	*			cis	-151.8	156.5	43.8	-35.7	-177.1	0	0	0	112.4
1308	H	29.1	Very low	31.4	Very low	163 Å²	163	131 Å²	131	76%	0.755	73%	0.734	S	S	*	*			trans	-58.8	153.4	161.8	-79.9	-106.9	0	0	0	112.9
1309	P	37.9	Very low	31.5	Very low	118 Å²	118	128.5 Å²	128.5	77%	0.766	73%	0.725	S	S	*	*				-113	155.1	95	-7.3	27.2	0	0	0	111.4
1310	V	29.9	Very low	31.4	Very low	107 Å²	107	130.5 Å²	130.5	65%	0.648	72%	0.722	S	S	*	*			cis	84.2	99	39.1	179.9	0	0	0	0	113.4
1311	D	25.2	Very low	31.4	Very low	145 Å²	145	133.6 Å²	133.6	78%	0.775	73%	0.725	S	S	*	*			trans	65.5	163	145.1	-57.4	-8	0	0	0	123.3
1312	I	33.9	Very low	31	Very low	160 Å²	160	132.3 Å²	132.3	82%	0.821	72%	0.716	S	S	*	*			trans	72.1	94.3	172.8	-45.5	-174.2	0	0	0	113.6
1313	N	25	Very low	30.9	Very low	147 Å²	147	133.5 Å²	133.5	79%	0.786	72%	0.719	S	S	*	*				79.8	158.1	51.6	-162.3	33.8	0	0	0	113.5
1314	A	28	Very low	30.9	Very low	64 Å²	64	134.5 Å²	134.5	53%	0.529	72%	0.724	S	S	.	*			trans	69.6	102.9	-179	0	0	0	0	0	114.2
1315	E	28.7	Very low	30.8	Very low	182 Å²	182	135.6 Å²	135.6	85%	0.85	73%	0.725	S	S	*	*				91.5	158.7	84.9	-80.2	164.1	-147.2	0	0	110.7
1316	S	32.3	Very low	30.6	Very low	86 Å²	86	136.5 Å²	136.5	60%	0.601	73%	0.726	S	S	*	*			cis	-159.8	164.2	29.9	63.3	0	0	0	0	113.3
1317	I	39.1	Very low	30.5	Very low	149 Å²	149	135.5 Å²	135.5	76%	0.764	72%	0.723	S	S	*	*			trans	70	123.2	150.2	-70.3	158.2	0	0	0	116.8
1318	I	35.9	Very low	30.5	Very low	142 Å²	142	137.2 Å²	137.2	73%	0.728	73%	0.725	S	S	*	*			cis	-159.6	141.7	-6.6	-102.2	173.1	0	0	0	103.8
1319	T	30.1	Very low	30.5	Very low	106 Å²	106	136.9 Å²	136.9	65%	0.65	73%	0.728	S	S	*	*			cis	-143	-165.8	-27.6	43.2	0	0	0	0	105.2
1320	E	27.2	Very low	30.1	Very low	154 Å²	154	136.5 Å²	136.5	72%	0.72	71%	0.714	S	S	*	*			cis	-151.5	162.7	2.9	-137.9	143.4	114.7	0	0	105.6
1321	Y	28.1	Very low	30.1	Very low	210 Å²	210	140.6 Å²	140.6	82%	0.824	72%	0.718	S	S	*	*			cis	75.1	138.1	33.1	-82.7	-100.8	0	0	0	115.1
1322	P	42.3	Very low	30.2	Very low	91 Å²	91	143.4 Å²	143.4	59%	0.591	72%	0.724	S	S	*	*				-146.9	-148.6	-112.2	41.7	-18.9	0	0	0	113.8
1323	N	26.2	Very low	29.9	Very low	134 Å²	134	139.6 Å²	139.6	72%	0.717	71%	0.712	S	S	*	*			trans	78.4	152.3	160.7	-69.1	-22.5	0	0	0	119.4
1324	Q	29.1	Very low	30.3	Very low	176 Å²	176	137.8 Å²	137.8	82%	0.822	70%	0.701	S	S	*	*			trans	70.5	-177.6	145.9	-82.5	168.2	-18.5	0	0	118.8
1325	D	27.1	Very low	30.4	Very low	134 Å²	134	141.3 Å²	141.3	72%	0.717	71%	0.706	S	S	*	*			trans	-67.9	173.9	-155.4	-56.3	-91.7	0	0	0	116.6
1326	L	27.4	Very low	30.5	Very low	131 Å²	131	140.1 Å²	140.1	69%	0.686	70%	0.701	S	S	*	*			trans	63	94.4	150.2	-76.1	160.9	0	0	0	117.9
1327	S	27.2	Very low	30.6	Very low	93 Å²	93	141.7 Å²	141.7	65%	0.65	71%	0.711	S	S	*	*				58	108.4	127	64.8	0	0	0	0	120
1328	K	30.8	Very low	30.3	Very low	189 Å²	189	137.9 Å²	137.9	82%	0.822	71%	0.709	S	S	*	*				67.2	139.7	127.9	-73.6	-175.6	175.8	178.9	0	119.7
1329	L	28.4	Very low	30.2	Very low	156 Å²	156	143.3 Å²	143.3	82%	0.817	72%	0.72	S	S	*	*			trans	71.3	171.8	158.3	-61.6	158.4	0	0	0	112.8
1330	K	30.7	Very low	30	Very low	110 Å²	110	144.7 Å²	144.7	48%	0.478	72%	0.724	S	S	.	*			cis	-157.9	179.1	21.3	-154.9	168.2	-157.7	-175.4	0	111.8	I1334 E1335	K1330-I1334 WeakPolarHBondContact CE-O 3.28Å; K1330-I1334 PolarHBondContact NZ-O 3.21Å; K1330-E1335 PolarHBondContact NZ-O 2.16Å
1331	R	29.3	Very low	30.3	Very low	193 Å²	193	144.2 Å²	144.2	73%	0.728	73%	0.732	S	S	*	*			trans	88.4	142.8	165.1	-55.7	159.1	-170.3	-147	-3.7	114.4
1332	F	26.9	Very low	30.3	Very low	204 Å²	204	138.9 Å²	138.9	90%	0.895	73%	0.725	S	S	*	*	S	Bend	cis	-95.1	135.2	0.9	-69.1	-98.3	0	0	0	110.8
1333	S	28.7	Very low	29.7	Very low	81 Å²	81	142.9 Å²	142.9	57%	0.566	74%	0.736	S	S	*	*	S	Bend	cis	-150.8	175.4	-11	-67.9	0	0	0	0	106.4
1334	I	32.6	Very low	29.7	Very low	109 Å²	109	142.9 Å²	142.9	56%	0.559	74%	0.735	S	S	*	*			cis	-138.9	175.2	24	-70.1	176.7	0	0	0	109.1	K1330	K1330-I1334 WeakPolarHBondContact CE-O 3.28Å; K1330-I1334 PolarHBondContact NZ-O 3.21Å
1335	E	29.8	Very low	29.5	Very low	137 Å²	137	140.5 Å²	140.5	64%	0.64	73%	0.726	S	S	*	*			trans	-7.6	157.2	168.2	-72.3	115.2	-126.8	0	0	122.1	K1330	K1330-E1335 PolarHBondContact NZ-O 2.16Å
1336	E	31.7	Very low	29.5	Very low	158 Å²	158	140.3 Å²	140.3	74%	0.738	73%	0.725	S	S	*	*			cis	-158	-165.4	-16.5	-116.4	176	-177.6	0	0	112.1
1337	S	33.4	Very low	29.4	Very low	118 Å²	118	141.5 Å²	141.5	83%	0.825	72%	0.72	S	S	*	*			trans	-66.4	172.4	-176.1	47	0	0	0	0	117.3
1338	G	32.6	Very low	29.4	Very low	70 Å²	70	148.1 Å²	148.1	72%	0.722	73%	0.733	S	S	*	*			cis	147.7	165.3	-6.5	0	0	0	0	0	114.8
1339	R	33.8	Very low	29.4	Very low	255 Å²	255	144.7 Å²	144.7	96%	0.962	72%	0.723	S	S	*	*			trans	76.9	160.7	169.2	-68.2	-174.8	176.1	172	0.4	121.1
1340	N	27.3	Very low	29.8	Very low	136 Å²	136	142.4 Å²	142.4	73%	0.727	72%	0.717	S	S	*	*			trans	-78.4	145.4	-176.7	-51.1	-26.7	0	0	0	113.7
1341	T	32	Very low	30.1	Very low	144 Å²	144	144.7 Å²	144.7	88%	0.883	73%	0.729	S	S	*	*			trans	-163.5	159.9	134.1	14.5	0	0	0	0	112
1342	S	29.2	Very low	30.4	Very low	97 Å²	97	141.3 Å²	141.3	68%	0.678	73%	0.731	S	S	*	*			trans	-73.9	151.6	170.1	51.3	0	0	0	0	113.2
1343	H	29.3	Very low	30.7	Very low	176 Å²	176	137.8 Å²	137.8	82%	0.815	72%	0.721	S	S	*	*			trans	50.1	101	161.9	-68.4	-65.6	0	0	0	119.4
1344	N	25.4	Very low	30.8	Very low	133 Å²	133	139 Å²	139	71%	0.711	72%	0.721	S	S	*	*				58.1	147.7	107.4	-151.2	21.7	0	0	0	121.6
1345	M	26	Very low	30.9	Very low	127 Å²	127	140.6 Å²	140.6	63%	0.626	73%	0.726	S	S	*	*			trans	81.9	106	166.2	-57.6	-57.4	-164.1	0	0	120.7
1346	N	26	Very low	31.1	Very low	129 Å²	129	140.1 Å²	140.1	69%	0.69	73%	0.728	S	S	*	*				72	167.6	129	-59.8	-5	0	0	0	117.3
1347	W	27.2	Very low	31.2	Very low	156 Å²	156	137.4 Å²	137.4	59%	0.591	72%	0.722	S	S	*	*			cis	-144.9	143.9	20.1	-60.8	59.3	0	0	0	114.6	L1349 E1351	W1347-L1349 HydrophobicContact CB-CG 3.93Å; W1347-L1349 HydrophobicContact CD2-CD2 4.36Å; W1347-L1349 HydrophobicContact CD2-CG 4.24Å; W1347-L1349 HydrophobicContact CE3-CB 4.32Å; W1347-L1349 HydrophobicContact CE3-CD2 3.58Å; W1347-L1349 HydrophobicContact CE3-CG 3.69Å; W1347-L1349 HydrophobicContact CG-CG 4.42Å; W1347-L1349 HydrophobicContact CZ3-CD2 3.86Å; W1347-L1349 HydrophobicContact CZ3-CG 4.46Å; W1347-E1351 WeakPolarHBondContact CH2-O 3.38Å; W1347-E1351 WeakPolarHBondContact CZ3-O 3.14Å
1348	Y	27	Very low	31.1	Very low	233 Å²	233	139.7 Å²	139.7	91%	0.914	72%	0.72	S	S	*	*	S	Bend		-112	113.1	110.5	-90	-103.4	0	0	0	104.2
1349	L	29.9	Very low	31	Very low	117 Å²	117	140.7 Å²	140.7	61%	0.613	72%	0.715	S	S	*	*				69.4	123.5	57.2	-81.5	171	0	0	0	112.7	W1347	W1347-L1349 HydrophobicContact CB-CG 3.93Å; W1347-L1349 HydrophobicContact CD2-CD2 4.36Å; W1347-L1349 HydrophobicContact CD2-CG 4.24Å; W1347-L1349 HydrophobicContact CE3-CB 4.32Å; W1347-L1349 HydrophobicContact CE3-CD2 3.58Å; W1347-L1349 HydrophobicContact CE3-CG 3.69Å; W1347-L1349 HydrophobicContact CG-CG 4.42Å; W1347-L1349 HydrophobicContact CZ3-CD2 3.86Å; W1347-L1349 HydrophobicContact CZ3-CG 4.46Å
1350	P	37.6	Very low	30.9	Very low	107 Å²	107	132.9 Å²	132.9	70%	0.695	70%	0.7	S	S	*	*			cis	-74.1	-159.8	-9	36.4	-37.3	0	0	0	111.4
1351	E	35.5	Very low	31	Very low	158 Å²	158	132.5 Å²	132.5	74%	0.738	70%	0.702	S	S	*	*			cis	-136.7	-171.4	7.4	-59.2	-171.4	81.7	0	0	112	W1347	W1347-E1351 WeakPolarHBondContact CH2-O 3.38Å; W1347-E1351 WeakPolarHBondContact CZ3-O 3.14Å
1352	T	36.7	Very low	30.9	Very low	123 Å²	123	133.1 Å²	133.1	76%	0.755	70%	0.699	S	S	*	*			trans	-85.4	170.6	170.9	50.4	0	0	0	0	111.5
1353	D	32.9	Very low	30.9	Very low	130 Å²	130	135.2 Å²	135.2	70%	0.695	70%	0.7	S	S	*	*			cis	-167.5	168.3	4.4	-125.6	26.6	0	0	0	107.4
1354	N	31.8	Very low	30.7	Very low	107 Å²	107	135 Å²	135	57%	0.572	70%	0.701	S	S	*	*			cis	-164.9	-162.8	-13.7	-145	-31.5	0	0	0	110.3
1355	Q	34.4	Very low	30.9	Very low	141 Å²	141	132.9 Å²	132.9	66%	0.659	70%	0.703	S	S	*	*			trans	15.6	139.2	142.7	-68	171.4	70.2	0	0	119.7
1356	N	32.7	Very low	31	Very low	128 Å²	128	132.5 Å²	132.5	68%	0.684	71%	0.712	S	S	*	*			cis	-174.5	177.1	6.7	-105.5	-13.2	0	0	0	109.7
1357	V	35.4	Very low	31.1	Very low	101 Å²	101	131.8 Å²	131.8	61%	0.612	72%	0.718	S	S	*	*			cis	-174.8	154.9	-49.1	72.3	0	0	0	0	109.8
1358	H	29.6	Very low	31.7	Very low	166 Å²	166	130 Å²	130	77%	0.769	73%	0.726	S	S	*	*			trans	64.2	158.2	169.3	-77.2	-80.4	0	0	0	117.1
1359	S	31.4	Very low	31.7	Very low	90 Å²	90	123 Å²	123	63%	0.629	72%	0.717	S	S	*	*			cis	-168.8	178.1	-17.6	-110.4	0	0	0	0	110.5
1360	S	31.4	Very low	31.6	Very low	92 Å²	92	123.4 Å²	123.4	64%	0.643	72%	0.723	S	S	*	*			cis	173.6	135.8	-36.1	-83.2	0	0	0	0	111
1361	V	29.9	Very low	31.2	Very low	128 Å²	128	129.1 Å²	129.1	78%	0.776	73%	0.733	S	S	*	*			trans	70.4	151.8	148.5	176.5	0	0	0	0	115.7
1362	L	30.2	Very low	30.6	Very low	156 Å²	156	128.1 Å²	128.1	82%	0.817	73%	0.733	S	S	*	*			cis	-108.7	156.6	6.5	-80.7	92.6	0	0	0	111.8
1363	M	28.7	Very low	30.2	Very low	141 Å²	141	128 Å²	128	70%	0.695	73%	0.731	S	S	*	*			cis	82	109.9	43.4	-74.9	-71.2	-166.5	0	0	116.7
1364	M	26	Very low	29.9	Very low	172 Å²	172	132.8 Å²	132.8	85%	0.847	74%	0.74	S	S	*	*			trans	20.5	138.6	145.8	-51.4	-179.5	-173.3	0	0	121.4
1365	A	28.2	Very low	29.6	Very low	89 Å²	89	134.1 Å²	134.1	74%	0.736	75%	0.747	S	S	*	*				167.7	165.6	97.2	0	0	0	0	0	115.6
1366	S	29.4	Very low	29.2	Very low	119 Å²	119	133.1 Å²	133.1	83%	0.832	75%	0.746	S	S	*	*			trans	70.5	113.9	148.8	-57.4	0	0	0	0	122.8
1367	S	26.7	Very low	29	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	75%	0.754	S	S	*	*			trans	-91.3	-176	144.7	-27	0	0	0	0	109.6
1368	P	41.2	Very low	28.4	Very low	117 Å²	117	138.2 Å²	138.2	76%	0.76	75%	0.75	S	S	*	*			cis	-135.8	-178	-18	40.5	-23.6	0	0	0	115
1369	A	26.2	Very low	28.9	Very low	88 Å²	88	134 Å²	134	73%	0.727	74%	0.737	S	S	*	*			trans	86.1	152.7	141	0	0	0	0	0	122.6
1370	V	27.3	Very low	28.4	Very low	124 Å²	124	132.8 Å²	132.8	75%	0.752	73%	0.729	S	S	*	*			trans	61.4	106	166.3	-169.5	0	0	0	0	118.2
1371	Y	29	Very low	28	Very low	227 Å²	227	134 Å²	134	89%	0.89	72%	0.723	S	S	*	*				-152.5	163.5	111.5	-118.1	-82.1	0	0	0	110.9
1372	N	24.1	Very low	27.8	Very low	138 Å²	138	136.8 Å²	136.8	74%	0.738	73%	0.725	S	S	*	*			trans	-137.6	173.1	-168.9	-156.3	-6.5	0	0	0	110.4
1373	T	26.7	Very low	27.5	Very low	119 Å²	119	131.7 Å²	131.7	73%	0.73	70%	0.701	S	S	*	*			trans	82.9	158.6	170.5	79.3	0	0	0	0	119.6
1374	R	27.8	Very low	27.4	Very low	232 Å²	232	132.4 Å²	132.4	88%	0.875	70%	0.703	S	S	*	*			trans	67.1	103.4	-177.3	-63.3	-179.3	176.1	160.8	-0.4	114.6
1375	N	25.3	Very low	27.4	Very low	135 Å²	135	132.1 Å²	132.1	72%	0.722	70%	0.699	S	S	*	*			cis	74.5	134.5	12.7	-134	72	0	0	0	116.5
1376	D	25.7	Very low	27.2	Very low	120 Å²	120	131.9 Å²	131.9	64%	0.642	69%	0.692	S	S	*	*			trans	85.4	146.8	165.6	-53.8	-56.8	0	0	0	121.1
1377	Y	28.8	Very low	27.3	Very low	214 Å²	214	133.1 Å²	133.1	84%	0.839	69%	0.688	S	S	*	*			trans	69.8	106.3	-176.2	-59.6	-85.9	0	0	0	116.2
1378	F	23.3	Very low	27.1	Very low	121 Å²	121	138.3 Å²	138.3	53%	0.531	69%	0.692	S	S	.	*				61.8	139	57.1	-73.6	-88.6	0	0	0	115.3	N874 N875	N874-F1378 HydrophobicContact CB-CD1 4.39Å; N874-F1378 HydrophobicContact CB-CE1 4.12Å; N875-F1378 HydrophobicContact CB-CE1 4.03Å; N875-F1378 VanDerWaalsContact ND2-CE1 3.27Å; N875-F1378 WeakPolarHBondContact ND2-CE1 3.4Å; N875-F1378 VanDerWaalsContact ND2-CZ 3.34Å; N875-F1378 WeakPolarHBondContact ND2-CZ 3.29Å; N875-F1378 WeakPolarHBondContact OD1-CE1 3.29Å; N875-F1378 WeakPolarHBondContact OD1-CZ 3.07Å
1379	P	39.5	Very low	26.7	Very low	77 Å²	77	137.3 Å²	137.3	50%	0.5	69%	0.685	S	S	.	*			cis	-139.4	-146.2	-42.8	37.8	-18.2	0	0	0	111	N874	N874-P1379 HydrophobicContact CB-CB 4.14Å
1380	S	21.6	Very low	26.6	Very low	66 Å²	66	139.1 Å²	139.1	46%	0.462	68%	0.682	S	S	.	*			trans	76.4	128.7	144.8	59	0	0	0	0	121.7	S873	S873-S1380 WeakPolarHBondContact OG-CA 3.14Å; S873-S1380 PolarHBondContact OG-N 3.23Å
1381	F	22.2	Very low	26.5	Very low	116 Å²	116	142.4 Å²	142.4	51%	0.509	68%	0.683	S	S	.	*			trans	57.9	88.8	135.6	-73.3	-116.3	0	0	0	118	N870 E871 N872	N870-F1381 WeakPolarHBondContact O-CD1 3.44Å; N870-F1381 WeakPolarHBondContact O-CE1 3.4Å; E871-F1381 WeakPolarHBondContact O-CA 3.49Å; E871-F1381 WeakPolarHBondContact O-CD1 3.28Å; E871-F1381 WeakPolarHBondContact O-CD2 3.34Å; E871-F1381 WeakPolarHBondContact O-CG 3.5Å; N872-F1381 PolarHBondContact O-N 2.49Å
1382	K	27.1	Very low	26.3	Very low	188 Å²	188	140 Å²	140	82%	0.817	68%	0.677	S	S	*	*			trans	-166	123.5	132.2	-100.4	164.7	-179.3	-174.2	0	108.3
1383	C	22.6	Very low	26.3	Very low	48 Å²	48	137.9 Å²	137.9	32%	0.324	67%	0.673	S	S	.	*				74.3	135.3	70.6	-58.7	0	0	0	0	114.9	N870 E871	N870-C1383 WeakPolarHBondContact CB-SG 3.37Å; E871-C1383 WeakPolarHBondContact OE1-CA 3.28Å; E871-C1383 PolarHBondContact OE1-N 2.99Å; E871-C1383 PolarHBondContact OE2-N 3.2Å
1384	E	26.1	Very low	26.3	Very low	156 Å²	156	141.7 Å²	141.7	73%	0.729	68%	0.68	S	S	*	*			trans	89.2	117.4	155.8	-45.9	-151.4	134.9	0	0	117.3
1385	H	27.6	Very low	26.4	Very low	167 Å²	167	134.9 Å²	134.9	77%	0.773	67%	0.673	S	S	*	*				55	135.4	125.3	-76.1	-89.1	0	0	0	120.2
1386	S	24.2	Very low	26.6	Very low	83 Å²	83	139.2 Å²	139.2	58%	0.58	68%	0.68	S	S	*	*			cis	165.9	-163.6	-11	45.7	0	0	0	0	104.7
1387	I	29.7	Very low	26.8	Very low	146 Å²	146	139.9 Å²	139.9	75%	0.749	68%	0.683	S	S	*	*			trans	74.3	92.4	164.9	-56.4	167.3	0	0	0	115.2
1388	Y	24.3	Very low	26.6	Very low	223 Å²	223	137.5 Å²	137.5	88%	0.875	68%	0.682	S	S	*	*			trans	-59.3	145.7	130.5	-105.4	-103.8	0	0	0	107.7
1389	P	32.9	Very low	27	Very low	96 Å²	96	138.9 Å²	138.9	62%	0.623	69%	0.693	S	S	*	*				-153.1	170.7	66.1	42.8	-24.3	0	0	0	118.8
1390	N	23.8	Very low	26.5	Very low	125 Å²	125	141.7 Å²	141.7	67%	0.668	70%	0.699	S	S	*	*			trans	68.1	125.5	141.3	-76.4	-7.6	0	0	0	122.9
1391	Y	25	Very low	26.9	Very low	193 Å²	193	143.1 Å²	143.1	76%	0.757	71%	0.705	S	S	*	*			trans	83.8	142.8	138.6	-83.2	-127.7	0	0	0	119.6
1392	F	24.7	Very low	27.2	Very low	178 Å²	178	144.9 Å²	144.9	78%	0.781	72%	0.715	S	S	*	*			trans	18.2	133.6	145.4	-71	-107.1	0	0	0	118.8
1393	S	24.7	Very low	27.3	Very low	93 Å²	93	142.5 Å²	142.5	65%	0.65	71%	0.711	S	S	*	*			cis	-172.7	171.7	3.9	52	0	0	0	0	113
1394	F	26.9	Very low	27.8	Very low	199 Å²	199	145.5 Å²	145.5	87%	0.873	73%	0.728	S	S	*	*			trans	65.9	-176.5	160.6	-105.9	-90.6	0	0	0	118
1395	A	29.1	Very low	28	Very low	89 Å²	89	145.5 Å²	145.5	74%	0.736	73%	0.733	S	S	*	*			trans	-75.6	166.4	-158	0	0	0	0	0	114.3
1396	R	29.7	Very low	28.1	Very low	226 Å²	226	146 Å²	146	85%	0.853	74%	0.736	S	S	*	*	S	Bend	trans	-41.2	143.4	176.3	-95.3	-172.9	174.9	147.4	-2.4	115.6
1397	N	28.8	Very low	28.5	Very low	134 Å²	134	148 Å²	148	72%	0.717	74%	0.74	S	S	*	*			trans	71.4	94.8	143.7	-62.7	22.8	0	0	0	117.2
1398	M	25.1	Very low	28.6	Very low	164 Å²	164	146.6 Å²	146.6	81%	0.808	73%	0.734	S	S	*	*			trans	-47.3	159	131.4	-56	167.8	177.1	0	0	111.3
1399	I	31.3	Very low	29	Very low	150 Å²	150	141.8 Å²	141.8	77%	0.769	72%	0.724	S	S	*	*				-152.6	110.8	115.5	-95	145.4	0	0	0	106.4
1400	H	28.8	Very low	28.8	Very low	136 Å²	136	143.4 Å²	143.4	63%	0.63	73%	0.727	S	S	*	*			trans	45.4	146.4	139.1	-61.5	-76.1	0	0	0	121.1
1401	T	30.3	Very low	28.9	Very low	96 Å²	96	143.7 Å²	143.7	59%	0.589	73%	0.729	S	S	*	*			cis	-157.6	159	8.6	3.2	0	0	0	0	110.3
1402	E	28.5	Very low	28.9	Very low	152 Å²	152	140.9 Å²	140.9	71%	0.71	73%	0.727	S	S	*	*			trans	18.5	140.7	133.5	-66.8	133.9	-128.9	0	0	119.2
1403	D	28.9	Very low	28.9	Very low	139 Å²	139	139 Å²	139	74%	0.743	73%	0.725	S	S	*	*			cis	-165.4	-178.6	18.3	-138.2	-20	0	0	0	115.1
1404	T	33.2	Very low	29	Very low	111 Å²	111	142 Å²	142	68%	0.681	73%	0.732	S	S	*	*			trans	95.5	130.4	158.7	73.5	0	0	0	0	122
1405	N	31.1	Very low	29.5	Very low	155 Å²	155	138.4 Å²	138.4	83%	0.829	73%	0.727	S	S	*	*			trans	78.8	151.8	149.4	-64.1	-19.6	0	0	0	121.1
1406	Q	30	Very low	29.5	Very low	178 Å²	178	141.9 Å²	141.9	83%	0.832	73%	0.732	S	S	*	*			trans	-111.9	-178.9	-161.2	-56.2	171.9	-75.5	0	0	112
1407	N	31.4	Very low	29.2	Very low	124 Å²	124	136 Å²	136	66%	0.663	73%	0.725	S	S	*	*			trans	89.8	124.4	155.4	-84.4	48.3	0	0	0	120.7
1408	D	32.3	Very low	29.1	Very low	118 Å²	118	140.7 Å²	140.7	63%	0.631	73%	0.733	S	S	*	*			trans	89	95.7	133	-61.5	-22.3	0	0	0	122.4
1409	N	32.1	Very low	29.5	Very low	122 Å²	122	138.2 Å²	138.2	65%	0.652	73%	0.727	S	S	*	*				86.9	115.2	116.5	-69.6	-45.3	0	0	0	122.2
1410	N	28.9	Very low	29.5	Very low	129 Å²	129	136.3 Å²	136.3	69%	0.69	73%	0.727	S	S	*	*				67.8	131.7	124.9	-67.1	-26.3	0	0	0	123
1411	N	26.8	Very low	30	Very low	132 Å²	132	135.3 Å²	135.3	71%	0.706	73%	0.733	S	S	*	*			trans	66.2	126.4	136.4	-68.7	-14.7	0	0	0	121.5
1412	N	24.9	Very low	30.4	Very low	134 Å²	134	137.4 Å²	137.4	72%	0.717	75%	0.746	S	S	*	*			trans	67.2	140.6	138.5	-66.1	-12.4	0	0	0	120.5
1413	N	25.3	Very low	30.6	Very low	139 Å²	139	136.4 Å²	136.4	74%	0.743	75%	0.75	S	S	*	*			trans	70.9	150.7	150.5	-67.9	-17.7	0	0	0	119.2
1414	L	25.6	Very low	31.1	Very low	155 Å²	155	135.6 Å²	135.6	81%	0.812	75%	0.753	S	S	*	*			trans	50.5	102.5	144.1	-69.3	167.2	0	0	0	118.2
1415	V	36.8	Very low	31.1	Very low	124 Å²	124	135.4 Å²	135.4	75%	0.752	76%	0.756	S	S	*	*			trans	-31.6	152.7	130.6	-163.2	0	0	0	0	112
1416	L	29.1	Very low	31.7	Very low	162 Å²	162	133.4 Å²	133.4	85%	0.848	75%	0.751	S	S	*	*			trans	97.8	110	165.7	-51.9	170.5	0	0	0	116.7
1417	S	23.3	Very low	31.5	Very low	101 Å²	101	130 Å²	130	71%	0.706	75%	0.746	S	S	*	*				-141.6	156	119.5	52.8	0	0	0	0	106.6
1418	W	28.4	Very low	31.4	Very low	233 Å²	233	130.7 Å²	130.7	88%	0.883	75%	0.75	S	S	*	*	S	Bend	cis	-125.4	156	8.7	-59	48.3	0	0	0	107.4
1419	T	33.5	Very low	31.3	Very low	112 Å²	112	131.7 Å²	131.7	69%	0.687	76%	0.755	S	S	*	*			cis	-144.4	129	20.8	50.4	0	0	0	0	110
1420	S	30.9	Very low	31.3	Very low	110 Å²	110	132.8 Å²	132.8	77%	0.769	76%	0.76	S	S	*	*				91.3	158.7	99.4	-56.9	0	0	0	0	114.7
1421	P	39.9	Very low	31.3	Very low	115 Å²	115	135.9 Å²	135.9	75%	0.747	76%	0.764	S	S	*	*				-131.7	174.4	-128.6	44.6	-33.8	0	0	0	118
1422	T	37.1	Very low	31.5	Very low	141 Å²	141	135.9 Å²	135.9	87%	0.865	76%	0.763	S	S	*	*			trans	-176	165.4	134.3	18.4	0	0	0	0	114.1
1423	T	34.2	Very low	31.7	Very low	130 Å²	130	134.8 Å²	134.8	80%	0.798	76%	0.757	S	S	*	*			trans	-145.6	-173.5	-179.9	61.3	0	0	0	0	108.5
1424	P	39	Very low	32	Very low	123 Å²	123	134.3 Å²	134.3	80%	0.799	75%	0.75	S	S	*	*			cis	-131.1	-159.5	-12.2	38.9	-17.8	0	0	0	114
1425	S	31.8	Very low	32.2	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	74%	0.744	S	S	*	*			trans	-92.8	173.6	174.5	61.5	0	0	0	0	113.8
1426	P	44.5	Very low	32.1	Very low	113 Å²	113	135.2 Å²	135.2	73%	0.734	74%	0.743	S	S	*	*				-158.5	173.8	84.4	42.8	-22.3	0	0	0	119
1427	C	25.8	Very low	32	Very low	107 Å²	107	133.1 Å²	133.1	72%	0.723	73%	0.733	S	S	*	*			trans	36.9	148.7	142.8	-68.7	0	0	0	0	123.5
1428	D	30	Very low	32.7	Very low	137 Å²	137	130.9 Å²	130.9	73%	0.733	72%	0.715	S	S	*	*			cis	-166.1	177.3	7.4	-112	-10.6	0	0	0	113.2
1429	N	29.4	Very low	32.5	Very low	139 Å²	139	124.3 Å²	124.3	74%	0.743	71%	0.705	S	S	*	*			trans	81.2	99	148.6	-91.5	-37.7	0	0	0	123.4
1430	L	31.7	Very low	32.4	Very low	146 Å²	146	122.8 Å²	122.8	76%	0.764	69%	0.692	S	S	*	*				157.6	128.9	104.7	-83.3	166.9	0	0	0	116.2
1431	Y	30.4	Very low	32.3	Very low	194 Å²	194	119.8 Å²	119.8	76%	0.761	67%	0.669	S	S	*	*			trans	72.4	114.4	146.8	-88.4	-123.7	0	0	0	123.9
1432	L	30.6	Very low	31.7	Very low	132 Å²	132	120 Å²	120	69%	0.691	66%	0.663	S	S	*	*			trans	43.1	140.6	133	-79.3	77.7	0	0	0	121.1
1433	D	28.6	Very low	31.4	Very low	111 Å²	111	121.9 Å²	121.9	59%	0.594	66%	0.662	S	S	*	*			cis	-157.7	149.2	7.5	-135.2	2.7	0	0	0	114.8
1434	Q	30.8	Very low	31.2	Very low	129 Å²	129	121.1 Å²	121.1	60%	0.603	66%	0.659	S	S	*	*			trans	27.7	143.5	145	-64.8	175.2	83.3	0	0	122.7
1435	K	31.6	Very low	30.5	Very low	156 Å²	156	122.8 Å²	122.8	68%	0.678	66%	0.661	S	S	*	*			cis	-169.2	139	-4.7	-115.1	167.2	-173.9	160.4	0	112.2
1436	I	33.6	Very low	30.2	Very low	141 Å²	141	122.8 Å²	122.8	72%	0.723	66%	0.661	S	S	*	*			trans	53	97.7	140.3	-56.1	165.6	0	0	0	119.2
1437	N	27.1	Very low	29.4	Very low	119 Å²	119	123.6 Å²	123.6	64%	0.636	66%	0.664	S	S	*	*				39	158.2	104.6	-91.4	35.5	0	0	0	122.6	E2317	N1437-E2317 PolarHBondContact ND2-OE1 3.18Å; N1437-E2317 PolarHBondContact ND2-OE2 2.78Å
1438	P	37.6	Very low	29.5	Very low	53 Å²	53	124.4 Å²	124.4	34%	0.344	67%	0.665	S	S	.	*			cis	-139.9	-166.2	-3.4	36.6	-15.4	0	0	0	115.8	I2316 E2317 M2318	P1438-I2316 HydrophobicContact CG-CD1 3.73Å; P1438-I2316 HydrophobicContact CG-CG1 4.13Å; P1438-I2316 HydrophobicContact CG-CG2 4.44Å; P1438-E2317 HydrophobicContact CB-CG 4.2Å; P1438-E2317 WeakPolarHBondContact CB-OE1 3.04Å; P1438-E2317 VanDerWaalsContact CB-OE2 3.23Å; P1438-E2317 WeakPolarHBondContact CB-OE2 3.43Å; P1438-E2317 HydrophobicContact CG-CG 4.39Å; P1438-M2318 HydrophobicContact CB-SD 3.54Å; P1438-M2318 VanDerWaalsContact CB-SD 3.54Å; P1438-M2318 HydrophobicContact CG-CE 4.13Å; P1438-M2318 HydrophobicContact CG-SD 3.73Å
1439	S	24.9	Very low	29.5	Very low	95 Å²	95	123.4 Å²	123.4	66%	0.664	67%	0.669	S	S	*	*			trans	-149	115.5	167.1	-83.7	0	0	0	0	116.6
1440	I	32	Very low	29.5	Very low	81 Å²	81	124.4 Å²	124.4	42%	0.415	68%	0.675	S	S	.	*			trans	70.4	106.8	140.8	-126.5	167.1	0	0	0	120.6	M2318 D2319	I1440-M2318 PolarHBondContact N-SD 2.94Å; I1440-D2319 HydrophobicContact CG2-CB 4.26Å; I1440-D2319 WeakPolarHBondContact CG2-OD1 2.98Å; I1440-D2319 WeakPolarHBondContact CG2-OD2 3.37Å; I1440-D2319 WeakPolarHBondContact O-CA 3.18Å; I1440-D2319 WeakPolarHBondContact O-CB 3.39Å; I1440-D2319 PolarHBondContact O-N 3.29Å
1441	T	28.4	Very low	29.4	Very low	46 Å²	46	123.5 Å²	123.5	28%	0.282	68%	0.677	S	S	.	*			trans	69.9	153.3	140.2	63.2	0	0	0	0	132.6	M2318 D2319 R2320	T1441-M2318 CarbonylContact O-C 3.08Å; T1441-D2319 CarbonylContact O-C 3.36Å; T1441-D2319 WeakPolarHBondContact O-CA 3.42Å; T1441-D2319 PolarHBondContact O-N 3.38Å; T1441-D2319 PolarHBondContact OG1-OD1 3.27Å; T1441-R2320 PolarHBondContact O-N 2.7Å; T1441-R2320 WeakPolarHBondContact OG1-CD 2.92Å; T1441-R2320 VanDerWaalsContact OG1-CG 3.23Å; T1441-R2320 WeakPolarHBondContact OG1-CG 3.23Å; T1441-R2320 PolarHBondContact OG1-NE 3.02Å; T1441-R2320 PolarHBondContact OG1-NH1 3.29Å
1442	L	27.2	Very low	29.3	Very low	119 Å²	119	119.8 Å²	119.8	62%	0.623	68%	0.675	S	S	*	*			trans	72.5	89.8	140.7	-83.3	173.2	0	0	0	123.2	R2320	L1442-R2320 HydrophobicContact CB-CG 4.08Å; L1442-R2320 HydrophobicContact CD1-CG 3.73Å; L1442-R2320 HydrophobicContact CG-CG 4.47Å
1443	Q	30.3	Very low	29.3	Very low	182 Å²	182	117.4 Å²	117.4	85%	0.85	66%	0.66	S	S	*	*			trans	-141.9	145.5	131	-78.5	-160.7	4.8	0	0	111.4
1444	P	29.6	Very low	29.2	Very low	113 Å²	113	115.6 Å²	115.6	73%	0.734	66%	0.656	S	S	*	*			trans	-116	101.5	158.7	34.1	-21.5	0	0	0	111.2
1445	L	25.1	Very low	29	Very low	159 Å²	159	113.9 Å²	113.9	83%	0.832	65%	0.651	S	S	*	*			trans	-178.7	143.9	147	-102.4	161.7	0	0	0	112.7
1446	S	25	Very low	28.8	Very low	107 Å²	107	110.1 Å²	110.1	75%	0.748	64%	0.644	S	S	*	*			trans	51.5	87.1	158.1	59.4	0	0	0	0	120.6
1447	T	28.6	Very low	28.7	Very low	129 Å²	129	108.1 Å²	108.1	79%	0.791	64%	0.64	S	S	*	*			trans	-128.7	106.4	131.8	38.2	0	0	0	0	107.2
1448	T	27.6	Very low	28.5	Very low	124 Å²	124	105.7 Å²	105.7	76%	0.761	63%	0.632	S	S	*	*				69.4	144.8	108.4	58	0	0	0	0	116.5
1449	S	30.4	Very low	28	Very low	117 Å²	117	110.2 Å²	110.2	82%	0.818	65%	0.652	S	S	*	*			trans	63.5	100.5	-176.8	53.2	0	0	0	0	117.1
1450	N	28.2	Very low	28.3	Very low	160 Å²	160	113.1 Å²	113.1	86%	0.856	66%	0.66	S	S	*	*			trans	-76.5	165.2	161.8	-60.9	-41.2	0	0	0	110.8
1451	P	30.2	Very low	28.3	Very low	126 Å²	126	116.3 Å²	116.3	82%	0.818	68%	0.678	S	S	*	*			trans	-127.3	149.1	133.9	36.8	-29.8	0	0	0	112.8
1452	V	28.2	Very low	28.8	Very low	117 Å²	117	119.2 Å²	119.2	71%	0.709	70%	0.698	S	S	*	*			trans	-137.6	132.9	167.7	163.2	0	0	0	0	108
1453	Q	29.6	Very low	29.1	Very low	82 Å²	82	120.5 Å²	120.5	38%	0.383	70%	0.704	S	S	.	*			trans	73.2	143	176.8	-65.5	160.4	28	0	0	118.1	V1481 T1482 M1483	Q1453-V1481 WeakPolarHBondContact O-CA 3.32Å; Q1453-V1481 PolarHBondContact O-N 2.98Å; Q1453-T1482 VanDerWaalsContact OE1-C 3.26Å; Q1453-M1483 HydrophobicContact CG-CG 4.22Å
1454	S	27	Very low	29.4	Very low	72 Å²	72	119 Å²	119	50%	0.503	70%	0.701	S	S	.	*			cis	-173	-27.4	-34.1	33.1	0	0	0	0	114.5	T1482	S1454-T1482 PolarHBondContact OG-N 3.48Å; S1454-T1482 PolarHBondContact OG-O 2.8Å
1455	L	27.7	Very low	29.7	Very low	94 Å²	94	117.6 Å²	117.6	49%	0.492	69%	0.694	S	S	.	*			trans	-112.3	-121.2	-161.3	-53.9	-173.3	0	0	0	118.3	E1479 S1480 T1482	L1455-E1479 CarbonylContact O-C 3.31Å; L1455-E1479 PolarHBondContact O-N 2.58Å; L1455-S1480 CarbonylContact C-O 3.53Å; L1455-S1480 VanDerWaalsContact C-O 3.28Å; L1455-S1480 VanDerWaalsContact CA-O 3.31Å; L1455-S1480 WeakPolarHBondContact CA-O 3.25Å; L1455-S1480 WeakPolarHBondContact CB-O 3.36Å; L1455-S1480 PolarHBondContact N-O 2.81Å; L1455-S1480 PolarHBondContact O-N 3.06Å; L1455-T1482 WeakPolarHBondContact CD1-OG1 3.22Å
1456	S	25.7	Very low	30.2	Very low	76 Å²	76	116.3 Å²	116.3	53%	0.531	69%	0.693	S	S	.	*			trans	-175.9	164.5	-141.2	59.5	0	0	0	0	114.1	E1479 S1480	S1456-E1479 CarbonylContact C-O 3.49Å; S1456-E1479 VanDerWaalsContact CA-O 3.3Å; S1456-E1479 WeakPolarHBondContact CA-O 3.27Å; S1456-E1479 PolarHBondContact N-O 2.85Å; S1456-S1480 PolarHBondContact N-O 2.91Å; S1456-S1480 VanDerWaalsContact N-O 3.11Å
1457	P	31.3	Very low	30.6	Very low	99 Å²	99	114.4 Å²	114.4	64%	0.643	69%	0.691	S	S	*	*			cis	-142.7	155.7	-10.9	35.1	-14.6	0	0	0	118.3	N1478	P1457-N1478 CarbonylContact C-O 3.26Å; P1457-N1478 WeakPolarHBondContact CA-O 3.2Å
1458	S	24.5	Very low	30.9	Very low	68 Å²	68	113.5 Å²	113.5	48%	0.476	69%	0.685	S	S	.	*			trans	62.3	142.9	132.5	-58.4	0	0	0	0	124.2	V1477 N1478	S1458-V1477 PolarHBondContact OG-O 2.96Å; S1458-N1478 PolarHBondContact N-O 3.43Å
1459	I	26.1	Very low	31.1	Very low	148 Å²	148	115.9 Å²	115.9	76%	0.759	69%	0.685	S	S	*	*			trans	73.7	101.6	158.4	-60.6	152	0	0	0	116.6
1460	D	31.3	Very low	31.1	Very low	156 Å²	156	118.1 Å²	118.1	83%	0.834	68%	0.682	S	S	*	*				-164.5	145.1	94.7	-119.3	-29	0	0	0	113.9
1461	N	31.2	Very low	31.3	Very low	148 Å²	148	118.7 Å²	118.7	79%	0.791	68%	0.677	S	S	*	*			trans	-149.9	136.8	177.9	-126.3	-32.7	0	0	0	104.5
1462	P	40.9	Very low	31.3	Very low	108 Å²	108	119.4 Å²	119.4	70%	0.701	67%	0.674	S	S	*	*				-163.1	-141.4	78.5	41.4	-17	0	0	0	114.3
1463	I	33.4	Very low	31.3	Very low	145 Å²	145	120.1 Å²	120.1	74%	0.744	67%	0.673	S	S	*	*			trans	82.3	119.1	172.6	-51.4	174.8	0	0	0	112.3
1464	N	34.8	Very low	31.3	Very low	150 Å²	150	124.7 Å²	124.7	80%	0.802	69%	0.692	S	S	*	*			cis	-145.2	168	14.4	-113.3	-26.7	0	0	0	109.2
1465	S	35.9	Very low	31.3	Very low	84 Å²	84	126.3 Å²	126.3	59%	0.587	70%	0.704	S	S	*	*			cis	-163.7	152.2	-2.7	44.2	0	0	0	0	110.3
1466	T	36.7	Very low	31.9	Very low	132 Å²	132	127.3 Å²	127.3	81%	0.81	72%	0.716	S	S	*	*			trans	48.5	104.3	158.9	54.8	0	0	0	0	117.9
1467	G	33.1	Very low	32.1	Very low	67 Å²	67	128.1 Å²	128.1	69%	0.691	72%	0.717	S	S	*	*			cis	67.8	136.9	15.2	0	0	0	0	0	112
1468	T	34.4	Very low	31.9	Very low	110 Å²	110	128.4 Å²	128.4	68%	0.675	71%	0.714	S	S	*	*			cis	-140.3	175.9	8.5	47.7	0	0	0	0	108.3
1469	K	32.5	Very low	32	Very low	174 Å²	174	131.1 Å²	131.1	76%	0.757	72%	0.719	S	S	*	*			cis	-152.6	179.4	40.5	-44.8	86.4	-149.3	146.5	0	109.1
1470	Q	30.5	Very low	32.1	Very low	164 Å²	164	127.4 Å²	127.4	77%	0.766	71%	0.706	S	S	*	*	S	Bend	cis	-149.3	130.3	5.6	-155.4	172.6	48.1	0	0	111.8
1471	K	32.5	Very low	31.9	Very low	173 Å²	173	123.9 Å²	123.9	75%	0.752	69%	0.69	S	S	*	*			trans	63.4	103.1	169.7	-67.5	167.3	-178.5	-179.3	0	116.1
1472	N	29.1	Very low	31.7	Very low	140 Å²	140	120.6 Å²	120.6	75%	0.749	68%	0.675	S	S	*	*				84.2	136.1	63.8	-71.2	20.1	0	0	0	112.3
1473	L	30.1	Very low	31.1	Very low	132 Å²	132	122.3 Å²	122.3	69%	0.691	68%	0.676	S	S	*	*			cis	-163.6	170.3	-12.6	-93.8	-178.3	0	0	0	105.9
1474	F	28.6	Very low	30.9	Very low	178 Å²	178	123 Å²	123	78%	0.781	68%	0.679	S	S	*	*			cis	-146.2	-156.7	5.1	-141.3	-28.1	0	0	0	110.2
1475	S	26.3	Very low	30.6	Very low	107 Å²	107	126.8 Å²	126.8	75%	0.748	68%	0.682	S	S	*	*			trans	-154.7	-170.5	-174.3	-35.9	0	0	0	0	112.5
1476	P	42.1	Very low	30.2	Very low	115 Å²	115	128.7 Å²	128.7	75%	0.747	69%	0.686	S	S	*	*			trans	-133.1	-146.3	-133.8	28	1.7	0	0	0	115.3
1477	V	28.6	Very low	29.8	Very low	93 Å²	93	129.6 Å²	129.6	56%	0.564	68%	0.681	S	S	*	*			trans	107.9	133.6	147.4	169.9	0	0	0	0	122.4	S1458	S1458-V1477 PolarHBondContact OG-O 2.96Å
1478	N	26.5	Very low	29.6	Very low	105 Å²	105	132 Å²	132	56%	0.561	68%	0.678	S	S	*	*			trans	30.9	151.5	156.1	-59	3.2	0	0	0	125.1	P1457 S1458	P1457-N1478 CarbonylContact C-O 3.26Å; P1457-N1478 WeakPolarHBondContact CA-O 3.2Å; S1458-N1478 PolarHBondContact N-O 3.43Å
1479	E	27.2	Very low	29.4	Very low	124 Å²	124	131.1 Å²	131.1	58%	0.579	68%	0.675	S	S	*	*				155.6	116.4	87.9	-160.5	143.6	-79.5	0	0	119.1	L1455 S1456	L1455-E1479 CarbonylContact O-C 3.31Å; L1455-E1479 PolarHBondContact O-N 2.58Å; S1456-E1479 CarbonylContact C-O 3.49Å; S1456-E1479 VanDerWaalsContact CA-O 3.3Å; S1456-E1479 WeakPolarHBondContact CA-O 3.27Å; S1456-E1479 PolarHBondContact N-O 2.85Å
1480	S	27.6	Very low	29.3	Very low	70 Å²	70	126.2 Å²	126.2	49%	0.49	66%	0.657	S	S	.	*			trans	75.3	147.9	149.8	82.5	0	0	0	0	124.3	L1455 S1456	L1455-S1480 CarbonylContact C-O 3.53Å; L1455-S1480 VanDerWaalsContact C-O 3.28Å; L1455-S1480 VanDerWaalsContact CA-O 3.31Å; L1455-S1480 WeakPolarHBondContact CA-O 3.25Å; L1455-S1480 WeakPolarHBondContact CB-O 3.36Å; L1455-S1480 PolarHBondContact N-O 2.81Å; L1455-S1480 PolarHBondContact O-N 3.06Å; S1456-S1480 PolarHBondContact N-O 2.91Å; S1456-S1480 VanDerWaalsContact N-O 3.11Å
1481	V	28.8	Very low	29.3	Very low	83 Å²	83	125.2 Å²	125.2	50%	0.503	65%	0.652	S	S	.	*			trans	45.8	115.4	167.1	-157.5	0	0	0	0	123.3	Q1453	Q1453-V1481 WeakPolarHBondContact O-CA 3.32Å; Q1453-V1481 PolarHBondContact O-N 2.98Å
1482	T	27.2	Very low	29.4	Very low	78 Å²	78	122.8 Å²	122.8	48%	0.479	66%	0.657	S	S	.	*				171.8	148.9	118.3	33.3	0	0	0	0	116.3	Q1453 S1454 L1455	Q1453-T1482 VanDerWaalsContact OE1-C 3.26Å; S1454-T1482 PolarHBondContact OG-N 3.48Å; S1454-T1482 PolarHBondContact OG-O 2.8Å; L1455-T1482 WeakPolarHBondContact CD1-OG1 3.22Å
1483	M	28.1	Very low	29.6	Very low	145 Å²	145	124.6 Å²	124.6	71%	0.714	66%	0.658	S	S	*	*			trans	-122.4	170.9	137.8	-68.9	-172.6	170	0	0	106.2	Q1453	Q1453-M1483 HydrophobicContact CG-CG 4.22Å
1484	I	28.1	Very low	29.8	Very low	159 Å²	159	121 Å²	121	82%	0.815	64%	0.643	S	S	*	*			cis	-135.3	160.9	13.7	-61.4	166.8	0	0	0	107.5
1485	R	29.3	Very low	29.9	Very low	230 Å²	230	117.5 Å²	117.5	87%	0.868	64%	0.636	S	S	*	*			trans	-97.8	124.1	172.4	-154.4	-177	-155.5	-173.8	4.4	111.1
1486	N	27.6	Very low	29.9	Very low	123 Å²	123	115.1 Å²	115.1	66%	0.658	62%	0.619	S	S	*	*				-167.2	136.3	127.4	-114.2	30.5	0	0	0	114.6
1487	E	28.1	Very low	29.2	Very low	152 Å²	152	114.6 Å²	114.6	71%	0.71	61%	0.613	S	S	*	*			trans	46	98.5	144.6	-68.4	159.2	-145.4	0	0	121.1
1488	N	28.7	Very low	29.1	Very low	118 Å²	118	121.2 Å²	121.2	63%	0.631	63%	0.629	S	S	*	*				-173.4	133.5	124.5	-97.1	-28.9	0	0	0	111.1	C1496	N1488-C1496 HydrophobicContact CB-CB 3.88Å; N1488-C1496 VanDerWaalsContact OD1-CB 3.31Å; N1488-C1496 WeakPolarHBondContact OD1-CB 3.24Å
1489	C	30.9	Very low	29.3	Very low	91 Å²	91	119.9 Å²	119.9	62%	0.615	64%	0.641	S	S	*	*			trans	-128.5	160.5	-177.7	-71.5	0	0	0	0	113.9	P1494 C1496	C1489-P1494 CarbonylContact C-O 3.28Å; C1489-C1496 WeakPolarHBondContact O-CA 2.96Å; C1489-C1496 WeakPolarHBondContact O-CB 3.44Å; C1489-C1496 PolarHBondContact O-N 2.97Å; C1489-C1496 PolarHBondContact O-SG 2.75Å
1490	D	30.4	Very low	29.3	Very low	70 Å²	70	120.1 Å²	120.1	37%	0.374	65%	0.651	S	S	.	*			trans	67.5	124.1	168.6	-79.6	14.2	0	0	0	118.4	P1494 V1495	D1490-P1494 CarbonylContact C-O 3.31Å; D1490-P1494 VanDerWaalsContact CA-O 3.29Å; D1490-P1494 WeakPolarHBondContact CA-O 3.27Å; D1490-P1494 PolarHBondContact N-O 3.39Å; D1490-V1495 CarbonylContact C-O 3.48Å; D1490-V1495 CarbonylContact O-C 3.41Å
1491	Q	28.8	Very low	29.3	Very low	144 Å²	144	121 Å²	121	67%	0.673	66%	0.657	S	S	*	*	S	Bend	cis	-153.6	169.8	20.6	-107.8	154.5	48.3	0	0	115.7	P1494	Q1491-P1494 PolarHBondContact N-O 2.91Å; Q1491-P1494 WeakPolarHBondContact O-CD 3.1Å
1492	S	35.8	Very low	29.3	Very low	121 Å²	121	124.1 Å²	124.1	85%	0.846	67%	0.671	S	S	*	*	S	Bend		67.2	7.2	-129.4	116.8	0	0	0	0	113.1	P1494	S1492-P1494 WeakPolarHBondContact OG-CD 3.5Å
1493	K	32.9	Very low	29.5	Very low	179 Å²	179	126.8 Å²	126.8	78%	0.778	68%	0.682	S	S	*	*	S	Bend	trans	57	35.7	-168.3	-53.8	-153.2	173	-159.9	0	119.5
1494	P	34	Very low	29.7	Very low	57 Å²	57	127 Å²	127	37%	0.37	69%	0.686	S	S	.	*	S	Bend	trans	-107.8	-167.3	156	46.6	-32.9	0	0	0	110.9	C1489 D1490 Q1491 S1492	C1489-P1494 CarbonylContact C-O 3.28Å; D1490-P1494 CarbonylContact C-O 3.31Å; D1490-P1494 VanDerWaalsContact CA-O 3.29Å; D1490-P1494 WeakPolarHBondContact CA-O 3.27Å; D1490-P1494 PolarHBondContact N-O 3.39Å; Q1491-P1494 PolarHBondContact N-O 2.91Å; Q1491-P1494 WeakPolarHBondContact O-CD 3.1Å; S1492-P1494 WeakPolarHBondContact OG-CD 3.5Å
1495	V	31.7	Very low	29.9	Very low	104 Å²	104	123.9 Å²	123.9	63%	0.63	68%	0.683	S	S	*	*			trans	28.2	101.3	148.9	-177.8	0	0	0	0	118.4	D1490 V1497	D1490-V1495 CarbonylContact C-O 3.48Å; D1490-V1495 CarbonylContact O-C 3.41Å; V1495-V1497 HydrophobicContact CG1-CG2 4.03Å
1496	C	26.1	Very low	30	Very low	57 Å²	57	121.7 Å²	121.7	39%	0.385	68%	0.68	S	S	.	*			trans	-80.8	136.7	165.3	-151.5	0	0	0	0	112.1	N1488 C1489	N1488-C1496 HydrophobicContact CB-CB 3.88Å; N1488-C1496 VanDerWaalsContact OD1-CB 3.31Å; N1488-C1496 WeakPolarHBondContact OD1-CB 3.24Å; C1489-C1496 WeakPolarHBondContact O-CA 2.96Å; C1489-C1496 WeakPolarHBondContact O-CB 3.44Å; C1489-C1496 PolarHBondContact O-N 2.97Å; C1489-C1496 PolarHBondContact O-SG 2.75Å
1497	V	27.5	Very low	30.3	Very low	104 Å²	104	120 Å²	120	63%	0.63	67%	0.671	S	S	*	*			trans	-155.4	136.2	157.1	-126.4	0	0	0	0	113.7	V1495	V1495-V1497 HydrophobicContact CG1-CG2 4.03Å
1498	Y	26.7	Very low	30.5	Very low	231 Å²	231	120.8 Å²	120.8	91%	0.906	67%	0.672	S	S	*	*			trans	56.4	119.6	164.7	-63.9	-69.1	0	0	0	119.9
1499	G	29.5	Very low	30.5	Very low	78 Å²	78	120.9 Å²	120.9	80%	0.804	67%	0.667	S	S	*	*			trans	174.2	92.9	167.8	0	0	0	0	0	115.4
1500	T	27.6	Very low	30.5	Very low	129 Å²	129	125.1 Å²	125.1	79%	0.791	68%	0.675	S	S	*	*			trans	-26.6	155.5	167.5	49.3	0	0	0	0	120.8
1501	S	27.8	Very low	30.3	Very low	87 Å²	87	125.8 Å²	125.8	61%	0.608	69%	0.686	S	S	*	*			trans	66	130.8	143.3	58.1	0	0	0	0	120.8
1502	D	28.9	Very low	30.1	Very low	149 Å²	149	123.7 Å²	123.7	80%	0.797	68%	0.678	S	S	*	*				47.9	134.2	129.1	-39.4	-25.8	0	0	0	118.8
1503	D	31.1	Very low	29.7	Very low	135 Å²	135	123.4 Å²	123.4	72%	0.722	66%	0.662	S	S	*	*			cis	-169.2	164.5	21.1	-145.9	-9	0	0	0	112
1504	L	32.8	Very low	29.4	Very low	150 Å²	150	121 Å²	121	79%	0.785	66%	0.663	S	S	*	*			trans	54.6	143.7	164.7	-90.6	71.7	0	0	0	119.9
1505	A	31.6	Very low	29	Very low	93 Å²	93	125.3 Å²	125.3	77%	0.769	68%	0.678	S	S	*	*			cis	-146	167.9	5.4	0	0	0	0	0	113.1
1506	K	32.2	Very low	28.8	Very low	184 Å²	184	126.5 Å²	126.5	80%	0.8	68%	0.676	S	S	*	*			trans	-75.3	152.9	-170.4	-68	163.7	-175.8	170.7	0	112.2
1507	D	34.2	Very low	28.9	Very low	87 Å²	87	128 Å²	128	47%	0.465	68%	0.681	S	S	.	*				63.1	137.4	51.2	-140.2	20.7	0	0	0	110.7	K1509	D1507-K1509 WeakPolarHBondContact OD1-CD 3.29Å; D1507-K1509 VanDerWaalsContact OD1-CG 3.25Å; D1507-K1509 WeakPolarHBondContact OD1-CG 3.49Å; D1507-K1509 IonicContact OD1-NZ 2.74Å; D1507-K1509 PolarHBondContact OD1-NZ 3.03Å; D1507-K1509 IonicContact OD2-NZ 3.67Å; D1507-K1509 PolarHBondContact OD2-NZ 3.05Å
1508	F	30.6	Very low	28.8	Very low	169 Å²	169	127 Å²	127	74%	0.741	67%	0.672	S	S	*	*			cis	-137.7	158	39.3	-93.7	-116.4	0	0	0	112.1
1509	K	29.9	Very low	29.1	Very low	120 Å²	120	122.7 Å²	122.7	52%	0.522	66%	0.663	S	S	.	*			cis	84.7	123.4	32.5	-87.4	-171.8	-171.8	83.9	0	116.9	D1507	D1507-K1509 WeakPolarHBondContact OD1-CD 3.29Å; D1507-K1509 VanDerWaalsContact OD1-CG 3.25Å; D1507-K1509 WeakPolarHBondContact OD1-CG 3.49Å; D1507-K1509 IonicContact OD1-NZ 2.74Å; D1507-K1509 PolarHBondContact OD1-NZ 3.03Å; D1507-K1509 IonicContact OD2-NZ 3.67Å; D1507-K1509 PolarHBondContact OD2-NZ 3.05Å
1510	K	30	Very low	28.9	Very low	179 Å²	179	122.8 Å²	122.8	78%	0.778	65%	0.645	S	S	*	*			trans	64.4	159.2	132.6	-68.2	-168	179	-178.8	0	119.4
1511	S	26	Very low	28.7	Very low	85 Å²	85	122.4 Å²	122.4	59%	0.594	63%	0.629	S	S	*	*			cis	-164.9	153.9	-19.2	-105.9	0	0	0	0	113.3
1512	L	25.7	Very low	28.5	Very low	100 Å²	100	124.2 Å²	124.2	52%	0.524	63%	0.632	S	S	.	*			trans	27.5	131.3	136.9	-61.4	164.3	0	0	0	122.5	R842	R842-L1512 VanDerWaalsContact CZ-CD2 3.41Å
1513	K	26.8	Very low	28.3	Very low	115 Å²	115	125.7 Å²	125.7	50%	0.5	63%	0.626	S	S	.	*			trans	66.3	151.8	140.8	-69.8	-174.4	174.8	-174.2	0	117.6
1514	T	25.9	Very low	28	Very low	129 Å²	129	126.7 Å²	126.7	79%	0.791	62%	0.624	S	S	*	*			cis	-109	-139.8	14.4	56.9	0	0	0	0	114
1515	E	27.1	Very low	27.6	Very low	147 Å²	147	124.5 Å²	124.5	69%	0.687	61%	0.606	S	S	*	*			trans	-140.9	-104.3	-157.5	-66.7	87.1	-179.7	0	0	114.1
1516	E	27.4	Very low	27.3	Very low	129 Å²	129	123 Å²	123	60%	0.603	59%	0.59	S	S	*	*			trans	50	102.5	175.3	-82.2	-100	144.1	0	0	121.4
1517	N	28	Very low	27.1	Very low	89 Å²	89	122.7 Å²	122.7	48%	0.476	59%	0.592	S	S	.	*				95.2	124.1	127.9	-102.6	-39.9	0	0	0	123	I936	I936-N1517 HydrophobicContact CD1-CB 4.25Å; I936-N1517 HydrophobicContact CG2-CB 4.17Å
1518	N	25.7	Very low	27.2	Very low	83 Å²	83	123.3 Å²	123.3	44%	0.444	60%	0.601	S	S	.	*			trans	63.6	127.3	174.6	-20.5	-102.8	0	0	0	116.9	K937	K937-N1518 PolarHBondContact NZ-OD1 3.2Å
1519	L	31.5	Very low	27	Very low	139 Å²	139	120 Å²	120	73%	0.728	60%	0.599	S	S	*	*				174.1	118.2	119.1	-107.2	98	0	0	0	114.3	S336	S336-L1519 VanDerWaalsContact OG-C 3.25Å; S336-L1519 VanDerWaalsContact OG-CA 3.27Å; S336-L1519 WeakPolarHBondContact OG-CA 3.28Å; S336-L1519 PolarHBondContact OG-N 3.03Å
1520	I	25.2	Very low	27	Very low	81 Å²	81	121.5 Å²	121.5	42%	0.415	61%	0.61	S	S	.	*			trans	68.7	80.6	138.4	-41.8	-164.6	0	0	0	123.7	Q334 N335 S336	Q334-I1520 WeakPolarHBondContact O-CD1 3.31Å; Q334-I1520 WeakPolarHBondContact O-CG1 3.24Å; N335-I1520 HydrophobicContact CB-CB 4.07Å; N335-I1520 HydrophobicContact CB-CG1 4.1Å; N335-I1520 HydrophobicContact CB-CG2 3.95Å; N335-I1520 PolarHBondContact O-N 3.4Å; S336-I1520 PolarHBondContact OG-N 3.14Å
1521	W	23.8	Very low	26.9	Very low	120 Å²	120	120.5 Å²	120.5	46%	0.455	61%	0.614	S	S	.	*				86.8	173.4	127.7	-130.1	17.8	0	0	0	124	N335 W1523	N335-W1521 HydrophobicContact CB-CB 3.58Å; N335-W1521 HydrophobicContact CB-CD2 4.27Å; N335-W1521 HydrophobicContact CB-CG 3.62Å; N335-W1521 VanDerWaalsContact CG-CE2 3.45Å; N335-W1521 VanDerWaalsContact OD1-CD1 3.24Å; N335-W1521 PolarHBondContact OD1-NE1 2.81Å; W1521-W1523 AromaticContact CD2-CD1 3.77Å; W1521-W1523 AromaticContact CD2-NE1 3.79Å; W1521-W1523 AromaticContact CE3-CD1 3.42Å; W1521-W1523 VanDerWaalsContact CE3-CD1 3.42Å; W1521-W1523 AromaticContact CE3-NE1 3.19Å; W1521-W1523 AromaticContact CH2-NE1 3.52Å; W1521-W1523 AromaticContact CZ3-CD1 3.81Å; W1521-W1523 AromaticContact CZ3-NE1 3.04Å
1522	N	24.7	Very low	27	Very low	125 Å²	125	119.7 Å²	119.7	67%	0.668	62%	0.618	S	S	*	*			trans	-144.8	118.8	-166.1	176	29.6	0	0	0	107.4	T337	T337-N1522 HydrophobicContact CG2-CB 4.5Å
1523	W	23.9	Very low	27.3	Very low	180 Å²	180	123.3 Å²	123.3	68%	0.682	64%	0.635	S	S	*	*			trans	-137.3	146.5	177.5	-102.9	68.8	0	0	0	112.6	W1521	W1521-W1523 AromaticContact CD2-CD1 3.77Å; W1521-W1523 AromaticContact CD2-NE1 3.79Å; W1521-W1523 AromaticContact CE3-CD1 3.42Å; W1521-W1523 VanDerWaalsContact CE3-CD1 3.42Å; W1521-W1523 AromaticContact CE3-NE1 3.19Å; W1521-W1523 AromaticContact CH2-NE1 3.52Å; W1521-W1523 AromaticContact CZ3-CD1 3.81Å; W1521-W1523 AromaticContact CZ3-NE1 3.04Å
1524	K	24.4	Very low	27.6	Very low	157 Å²	157	124.7 Å²	124.7	68%	0.683	65%	0.648	S	S	*	*			trans	-85.1	157.3	162.2	-63.6	174.1	177.3	173.5	0	109.1
1525	Y	25.7	Very low	27.7	Very low	103 Å²	103	127.8 Å²	127.8	40%	0.404	65%	0.65	S	S	.	*				179.7	153.2	98.7	-103.4	-74.4	0	0	0	114.1	P319 P320	P319-Y1525 HydrophobicContact CB-CD1 4.26Å; P319-Y1525 HydrophobicContact CB-CD2 4.25Å; P319-Y1525 HydrophobicContact CB-CG 4.02Å; P320-Y1525 HydrophobicContact CG-CD1 4.48Å; P320-Y1525 HydrophobicContact CG-CE1 3.74Å
1526	S	25.2	Very low	28.1	Very low	63 Å²	63	127.6 Å²	127.6	44%	0.441	65%	0.654	S	S	.	*			trans	1.2	129.7	171.7	-54	0	0	0	0	123.7
1527	Q	27.6	Very low	28.4	Very low	177 Å²	177	129.8 Å²	129.8	83%	0.827	66%	0.664	S	S	*	*				10.2	161.3	113.3	-73	-160.8	-25.1	0	0	121.4
1528	P	36.3	Very low	28.4	Very low	100 Å²	100	130.4 Å²	130.4	65%	0.649	67%	0.674	S	S	*	*			cis	-143.8	-170.5	-34.1	41.5	-23.2	0	0	0	114.6
1529	S	27.2	Very low	28.6	Very low	100 Å²	100	132.2 Å²	132.2	70%	0.699	68%	0.683	S	S	*	*			trans	75.6	117.2	161.2	-62	0	0	0	0	118
1530	I	29.5	Very low	28.8	Very low	150 Å²	150	135.8 Å²	135.8	77%	0.769	69%	0.693	S	S	*	*				76.2	125.1	79.8	-70.7	165	0	0	0	111.7
1531	D	26.8	Very low	29.1	Very low	159 Å²	159	138.8 Å²	138.8	85%	0.85	70%	0.703	S	S	*	*			cis	-155.5	168.1	0.2	-126.6	-21.2	0	0	0	111.6
1532	G	27.9	Very low	29.5	Very low	67 Å²	67	140.2 Å²	140.2	69%	0.691	72%	0.715	S	S	*	*			trans	172.1	96.1	170.5	0	0	0	0	0	121
1533	M	32	Very low	29.8	Very low	177 Å²	177	139.7 Å²	139.7	87%	0.872	72%	0.721	S	S	*	*			trans	71.2	117.4	149.5	-63.4	-168.7	175.5	0	0	123.1
1534	N	33.5	Very low	30.3	Very low	143 Å²	143	138 Å²	138	77%	0.765	72%	0.724	S	S	*	*			trans	79	101.6	133.2	-63.1	-8	0	0	0	122.5
1535	K	29.2	Very low	30.6	Very low	195 Å²	195	136.2 Å²	136.2	85%	0.848	72%	0.721	S	S	*	*			trans	-10.5	142.8	135.5	-51.7	171.7	-179.6	176.6	0	116.1
1536	D	34	Very low	30.7	Very low	142 Å²	142	140.5 Å²	140.5	76%	0.759	74%	0.736	S	S	*	*				-161.4	158.2	98.5	-133	-36.4	0	0	0	115.5
1537	H	35.1	Very low	30.9	Very low	175 Å²	175	145.8 Å²	145.8	81%	0.81	75%	0.751	S	S	*	*			trans	67.4	155.8	159.9	-87.3	50.8	0	0	0	121.4
1538	C	28.3	Very low	31.1	Very low	102 Å²	102	141.2 Å²	141.2	69%	0.689	73%	0.733	S	S	*	*			trans	-151	158.1	-158.5	-170.4	0	0	0	0	111.8
1539	N	29.7	Very low	30.8	Very low	121 Å²	121	142.4 Å²	142.4	65%	0.647	73%	0.734	S	S	*	*			trans	54	125	161.5	-78.1	-35.9	0	0	0	120.2
1540	K	34	Very low	31.1	Very low	215 Å²	215	144.7 Å²	144.7	94%	0.935	73%	0.733	S	S	*	*				-126	113.1	118.7	-111.7	178.9	-178.3	177.2	0	111.4
1541	K	31.5	Very low	31.1	Very low	143 Å²	143	143.9 Å²	143.9	62%	0.622	73%	0.731	S	S	*	*			trans	-57.5	168.6	154.9	-64.8	178.2	179.7	-179.3	0	108.7
1542	H	32.5	Very low	31.2	Very low	151 Å²	151	142.8 Å²	142.8	70%	0.699	72%	0.722	S	S	*	*			cis	-154.6	179.5	44.9	-82.3	-92.4	0	0	0	109.1
1543	S	32.3	Very low	31.4	Very low	113 Å²	113	148.3 Å²	148.3	79%	0.79	73%	0.727	S	S	*	*			cis	-155.5	163.4	25.9	-35.8	0	0	0	0	111.7
1544	I	33.5	Very low	31.2	Very low	146 Å²	146	144.7 Å²	144.7	75%	0.749	71%	0.706	S	S	*	*			cis	-130	-100.3	4.2	-170.5	168.1	0	0	0	112.2
1545	L	31.4	Very low	31.3	Very low	118 Å²	118	142.3 Å²	142.3	62%	0.618	70%	0.699	S	S	*	*			trans	-151.7	164.9	-179.9	-63.5	176.7	0	0	0	106.3
1546	R	27.8	Very low	31.3	Very low	193 Å²	193	136.3 Å²	136.3	73%	0.728	68%	0.675	S	S	*	*			cis	73.7	155.7	24.3	-138.9	177.3	-159.6	-132.4	8.7	114.6	D1548	R1546-D1548 VanDerWaalsContact CD-OD1 3.27Å; R1546-D1548 WeakPolarHBondContact CD-OD1 3.42Å; R1546-D1548 IonicContact CZ-OD1 3.49Å; R1546-D1548 IonicContact NE-OD1 3.99Å; R1546-D1548 IonicContact NH1-OD1 2.66Å; R1546-D1548 PolarHBondContact NH1-OD1 3.16Å
1547	F	30.1	Very low	31.3	Very low	174 Å²	174	134.8 Å²	134.8	76%	0.763	67%	0.674	S	S	*	*			trans	-144.6	158.3	152.5	-102.5	-79.4	0	0	0	107.3
1548	D	31.3	Very low	31	Very low	81 Å²	81	128.4 Å²	128.4	43%	0.433	66%	0.655	S	S	.	*			trans	-144.6	174.9	-157.7	-52.8	-99.2	0	0	0	107.3	R1546	R1546-D1548 VanDerWaalsContact CD-OD1 3.27Å; R1546-D1548 WeakPolarHBondContact CD-OD1 3.42Å; R1546-D1548 IonicContact CZ-OD1 3.49Å; R1546-D1548 IonicContact NE-OD1 3.99Å; R1546-D1548 IonicContact NH1-OD1 2.66Å; R1546-D1548 PolarHBondContact NH1-OD1 3.16Å
1549	D	30.5	Very low	30.9	Very low	125 Å²	125	129.4 Å²	129.4	67%	0.668	65%	0.645	S	S	*	*			cis	-168.6	-171	20.7	-163.6	7	0	0	0	110.1
1550	Q	32.1	Very low	30.8	Very low	149 Å²	149	129 Å²	129	70%	0.696	64%	0.642	S	S	*	*			trans	78.1	145.5	150	-75.1	146	51.5	0	0	119.6
1551	D	30.6	Very low	30.4	Very low	133 Å²	133	123.3 Å²	123.3	71%	0.711	63%	0.63	S	S	*	*			cis	-148.8	-177.5	6.6	-141.1	-26.2	0	0	0	115.1
1552	M	28.9	Very low	30.2	Very low	136 Å²	136	122.9 Å²	122.9	67%	0.67	64%	0.639	S	S	*	*			trans	-68.7	-179.6	-170.5	-57.2	-174.6	-161.7	0	0	116.3
1553	K	31.3	Very low	30	Very low	182 Å²	182	120.9 Å²	120.9	79%	0.791	64%	0.642	S	S	*	*			cis	-160.4	-154.1	26.7	-143.8	139.6	-169.5	158.4	0	115.1
1554	K	28.6	Very low	29.9	Very low	102 Å²	102	122 Å²	122	44%	0.443	64%	0.638	S	S	.	*			trans	-150.6	-177.9	-170.4	-58.9	176.6	-178.1	165.9	0	109.2	G291 T292 N293	G291-K1554 WeakPolarHBondContact O-CD 3.44Å; G291-K1554 PolarHBondContact O-NZ 2.68Å; T292-K1554 HydrophobicContact CG2-CB 4.35Å; T292-K1554 HydrophobicContact CG2-CD 3.78Å; N293-K1554 PolarHBondContact OD1-NZ 2.97Å
1555	P	35.4	Very low	29.6	Very low	93 Å²	93	121.6 Å²	121.6	60%	0.604	63%	0.634	S	S	*	*			cis	-141.7	145.5	4.4	40.6	-20.1	0	0	0	119.7
1556	L	29.2	Very low	29.6	Very low	68 Å²	68	120.4 Å²	120.4	36%	0.356	64%	0.635	S	S	.	*				40.5	129.9	109.9	-46.9	154.7	0	0	0	118.8	N289 S290 G291	N289-L1556 HydrophobicContact CB-CB 4.08Å; N289-L1556 HydrophobicContact CB-CD2 3.56Å; N289-L1556 HydrophobicContact CB-CG 4.42Å; N289-L1556 WeakPolarHBondContact OD1-CD2 3.48Å; S290-L1556 VanDerWaalsContact O-CB 3.24Å; S290-L1556 WeakPolarHBondContact O-CB 3.49Å; G291-L1556 VanDerWaalsContact N-CD1 3.3Å
1557	P	32.7	Very low	30	Very low	111 Å²	111	120.3 Å²	120.3	72%	0.721	64%	0.635	S	S	*	*				-148.1	174.1	66.7	42.6	-24.7	0	0	0	117.7	N289	N289-P1557 WeakPolarHBondContact O-CB 3.12Å
1558	G	29.2	Very low	30.3	Very low	41 Å²	41	114.8 Å²	114.8	42%	0.423	62%	0.618	S	S	.	*			trans	93.8	105.6	156.3	0	0	0	0	0	121.2	N289	N289-G1558 VanDerWaalsContact CB-N 3.34Å
1559	Y	27.5	Very low	30.7	Very low	123 Å²	123	117 Å²	117	48%	0.482	63%	0.63	S	S	.	*			trans	72.4	132.6	148.4	-94.4	-103.6	0	0	0	120.8	M285 R286 T287 G288	M285-Y1559 PolarHBondContact O-OH 3.38Å; R286-Y1559 HydrophobicContact CB-CD1 4.09Å; R286-Y1559 HydrophobicContact CB-CE1 3.52Å; R286-Y1559 HydrophobicContact CB-CE2 4.18Å; R286-Y1559 WeakPolarHBondContact O-CE2 3.44Å; R286-Y1559 PolarHBondContact O-OH 3.45Å; R286-Y1559 VanDerWaalsContact O-OH 3.05Å; T287-Y1559 WeakPolarHBondContact O-CA 3.25Å; T287-Y1559 VanDerWaalsContact O-CD2 3.3Å; T287-Y1559 WeakPolarHBondContact O-CD2 3.09Å; G288-Y1559 PolarHBondContact O-N 3.19Å
1560	L	26.3	Very low	31	Very low	111 Å²	111	116.6 Å²	116.6	58%	0.581	63%	0.632	S	S	*	*			trans	68	149	154.3	-78.6	162.5	0	0	0	121.3
1561	S	26	Very low	31.2	Very low	96 Å²	96	117.4 Å²	117.4	67%	0.671	64%	0.636	S	S	*	*			trans	43.6	101	158.6	48.8	0	0	0	0	120.4
1562	T	26.4	Very low	31.3	Very low	134 Å²	134	118 Å²	118	82%	0.822	64%	0.638	S	S	*	*				29.9	106	124.5	53.5	0	0	0	0	119.8
1563	S	28.8	Very low	31.4	Very low	110 Å²	110	115 Å²	115	77%	0.769	64%	0.635	S	S	*	*			trans	-143.6	132.8	136.5	-78	0	0	0	0	106.3
1564	L	29.5	Very low	31.5	Very low	135 Å²	135	114.1 Å²	114.1	71%	0.707	64%	0.638	S	S	*	*				60	98.4	66.6	-63.1	169.1	0	0	0	110.1
1565	E	27.7	Very low	31.5	Very low	138 Å²	138	115.9 Å²	115.9	65%	0.645	65%	0.652	S	S	*	*				76	141.4	81.7	-80.8	-177.6	-173.1	0	0	113.5	M735	M735-E1565 WeakPolarHBondContact CE-OE2 3.2Å
1566	S	32.7	Very low	32.2	Very low	93 Å²	93	115.8 Å²	115.8	65%	0.65	65%	0.652	S	S	*	*			trans	168.2	163.1	132.3	46.8	0	0	0	0	113.1
1567	R	35.2	Very low	32.1	Very low	191 Å²	191	119.2 Å²	119.2	72%	0.721	67%	0.671	S	S	*	*			trans	99.3	140.9	151.1	-59.7	-163.8	177.2	179.2	-2.4	120.2
1568	S	37.1	Very low	32	Very low	59 Å²	59	119.9 Å²	119.9	41%	0.413	67%	0.668	S	S	.	*			cis	-178.9	167.1	-17.1	57.6	0	0	0	0	114.9	D736	D736-S1568 WeakPolarHBondContact OD2-CA 2.75Å
1569	N	38.3	Very low	32	Very low	128 Å²	128	125.2 Å²	125.2	68%	0.684	68%	0.682	S	S	*	*			trans	72.5	165	137.4	-77.3	-37.1	0	0	0	119.8
1570	T	37.8	Very low	31.9	Very low	115 Å²	115	125 Å²	125	71%	0.706	69%	0.693	S	S	*	*			cis	-134.8	-159	-5.5	-5.8	0	0	0	0	109.2
1571	Q	35.2	Very low	32	Very low	167 Å²	167	125.4 Å²	125.4	78%	0.78	70%	0.701	S	S	*	*			cis	-152.9	-169.8	20.5	-80.5	-167.3	6.5	0	0	107.8
1572	L	33.8	Very low	32	Very low	144 Å²	144	126.7 Å²	126.7	75%	0.754	70%	0.7	S	S	*	*			cis	-174.3	161.6	-43.4	-82.8	175.3	0	0	0	104.9
1573	A	30.3	Very low	32.1	Very low	74 Å²	74	127.5 Å²	127.5	61%	0.612	69%	0.694	S	S	*	*			cis	-172.5	174.9	-27	0	0	0	0	0	109.2
1574	L	33.3	Very low	32	Very low	164 Å²	164	128.5 Å²	128.5	86%	0.859	69%	0.69	S	S	*	*			trans	69.3	173.4	175.7	-44.3	179.9	0	0	0	114.6
1575	N	29.2	Very low	31.9	Very low	138 Å²	138	127 Å²	127	74%	0.738	69%	0.687	S	S	*	*			cis	-147.2	148.9	2.9	-167.2	81.9	0	0	0	112.1
1576	P	49.7	Very low	32	Very low	92 Å²	92	130.6 Å²	130.6	60%	0.597	70%	0.695	S	S	*	*			trans	-114.2	163.3	-174.2	41.1	-33.7	0	0	0	116.8
1577	N	28.2	Very low	31.6	Very low	140 Å²	140	131.2 Å²	131.2	75%	0.749	70%	0.699	S	S	*	*				175.9	151.2	124.3	-96.7	12.6	0	0	0	114.4
1578	D	30.6	Very low	31.3	Very low	124 Å²	124	129 Å²	129	66%	0.663	70%	0.7	S	S	*	*			trans	18.1	155.6	145.8	-71.7	-39.5	0	0	0	123.6
1579	Q	28.3	Very low	30.8	Very low	153 Å²	153	132.4 Å²	132.4	72%	0.715	71%	0.713	S	S	*	*			cis	179.7	174.5	-25.1	-139.8	-171.2	95.2	0	0	109
1580	T	25.3	Very low	30.4	Very low	118 Å²	118	131.1 Å²	131.1	72%	0.724	71%	0.707	S	S	*	*			trans	83.1	154.9	159.2	75.8	0	0	0	0	122.7
1581	V	28.7	Very low	30	Very low	121 Å²	121	132.6 Å²	132.6	73%	0.733	71%	0.705	S	S	*	*			trans	89.9	103.8	158.1	-174.6	0	0	0	0	120.7
1582	N	26.9	Very low	29.8	Very low	122 Å²	122	131.1 Å²	131.1	65%	0.652	70%	0.698	S	S	*	*			trans	78.2	104.1	139.9	-74.8	-3.7	0	0	0	125.4
1583	Q	28	Very low	29.6	Very low	152 Å²	152	131.7 Å²	131.7	71%	0.71	70%	0.695	S	S	*	*				78.2	137	104	-76.3	-179.4	23.2	0	0	124
1584	L	26.9	Very low	29.4	Very low	130 Å²	130	134 Å²	134	68%	0.681	70%	0.697	S	S	*	*			trans	93.1	96.1	132.1	-80.2	171.9	0	0	0	123
1585	T	27.6	Very low	29.1	Very low	104 Å²	104	133.6 Å²	133.6	64%	0.638	69%	0.69	S	S	*	*				93.7	140.7	122.2	29.9	0	0	0	0	124.7
1586	R	28.4	Very low	29	Very low	214 Å²	214	135.2 Å²	135.2	81%	0.808	70%	0.696	S	S	*	*			trans	87.2	86.5	142	-76.5	162.9	-167.9	179.6	4.3	120.3
1587	S	25.9	Very low	28.2	Very low	105 Å²	105	134.6 Å²	134.6	73%	0.734	69%	0.694	S	S	*	*				58.1	151.9	97.6	-54.8	0	0	0	0	122
1588	I	28.7	Very low	28.3	Very low	146 Å²	146	133.7 Å²	133.7	75%	0.749	69%	0.689	S	S	*	*			trans	94.5	94.3	153.8	-71	155.6	0	0	0	117.5
1589	N	26.8	Very low	28.2	Very low	129 Å²	129	134.6 Å²	134.6	69%	0.69	69%	0.691	S	S	*	*				82.9	131.6	122.4	-70.3	32.5	0	0	0	123.8
1590	N	29	Very low	28.2	Very low	102 Å²	102	128.9 Å²	128.9	55%	0.545	67%	0.668	S	S	.	*				83.2	119.3	129.4	-72.9	34	0	0	0	122.3
1591	E	30.2	Very low	28.4	Very low	145 Å²	145	128.6 Å²	128.6	68%	0.678	67%	0.666	S	S	*	*				71.2	152.8	123	-67.2	159.8	-172.9	0	0	119.2
1592	H	30.1	Very low	28.5	Very low	136 Å²	136	128.3 Å²	128.3	63%	0.63	67%	0.665	S	S	*	*			cis	-157.5	162.2	-2	-124.2	-39.6	0	0	0	111.7
1593	F	29.2	Very low	28.6	Very low	157 Å²	157	128.5 Å²	128.5	69%	0.689	67%	0.671	S	S	*	*			trans	52.9	130.9	147.6	-80	-61.4	0	0	0	123.7
1594	N	26.6	Very low	28.6	Very low	121 Å²	121	129.5 Å²	129.5	65%	0.647	68%	0.679	S	S	*	*			trans	57.4	154.6	138	-71.8	16.4	0	0	0	120.7
1595	E	28	Very low	28.6	Very low	156 Å²	156	130.3 Å²	130.3	73%	0.729	68%	0.684	S	S	*	*			cis	-148.3	172.6	8	-140.9	155.3	-109.1	0	0	114.1
1596	M	25.2	Very low	28.5	Very low	172 Å²	172	133 Å²	133	85%	0.847	69%	0.689	S	S	*	*			trans	-20.3	127.5	179.5	-61.7	-175.4	-172.4	0	0	119.9
1597	S	33.9	Very low	28.5	Very low	80 Å²	80	128.6 Å²	128.6	56%	0.559	69%	0.686	S	S	*	*			trans	-162.3	105.6	146.9	-90.4	0	0	0	0	115.6
1598	N	30	Very low	28.6	Very low	121 Å²	121	132.1 Å²	132.1	65%	0.647	69%	0.685	S	S	*	*			trans	-106.9	160	141.8	-151.4	-0.2	0	0	0	105.4	R749	R749-N1598 PolarHBondContact NE-O 3.4Å; R749-N1598 PolarHBondContact NH2-O 2.8Å
1599	M	27.8	Very low	28.7	Very low	142 Å²	142	133.9 Å²	133.9	70%	0.7	68%	0.682	S	S	*	*			cis	-166.3	132.2	20.7	-179.6	-169.1	-176.2	0	0	107.6	R749	R749-M1599 WeakPolarHBondContact CG-O 3.05Å
1600	S	29.4	Very low	28.9	Very low	33 Å²	33	133.9 Å²	133.9	23%	0.231	68%	0.678	C	S	.	*			trans	-172.1	132.6	164.7	57.8	0	0	0	0	113.2	L748 R749	L748-S1600 VanDerWaalsContact C-OG 3.23Å; L748-S1600 WeakPolarHBondContact CA-OG 3.41Å; R749-S1600 PolarHBondContact N-OG 3.27Å
1601	T	29.1	Very low	29	Very low	112 Å²	112	135.4 Å²	135.4	69%	0.687	69%	0.686	S	S	*	*			trans	43.1	135.5	135.6	63.9	0	0	0	0	119.7
1602	T	31.1	Very low	28.9	Very low	115 Å²	115	134.6 Å²	134.6	71%	0.706	69%	0.686	S	S	*	*			cis	-160.6	144.8	29.4	-20.7	0	0	0	0	113.9
1603	T	28.1	Very low	28.9	Very low	127 Å²	127	134.6 Å²	134.6	78%	0.779	69%	0.69	S	S	*	*			trans	48.7	106.9	148.9	45	0	0	0	0	121.6
1604	I	28.5	Very low	28.7	Very low	173 Å²	173	134.8 Å²	134.8	89%	0.887	69%	0.693	S	S	*	*				-156.2	138.1	128.8	-105.9	164.7	0	0	0	106
1605	N	26.6	Very low	28.8	Very low	147 Å²	147	138.6 Å²	138.6	79%	0.786	70%	0.704	S	S	*	*			cis	-149.6	165	-17.5	179.8	50	0	0	0	108.6
1606	E	25	Very low	28.7	Very low	161 Å²	161	136.6 Å²	136.6	75%	0.752	70%	0.699	S	S	*	*			trans	-125	159.8	-177.6	-73.1	-165.1	143.7	0	0	115.9
1607	T	28.4	Very low	28.9	Very low	120 Å²	120	137.4 Å²	137.4	74%	0.736	70%	0.698	S	S	*	*			trans	86.2	141.7	167.4	77.4	0	0	0	0	118.9
1608	Y	29.4	Very low	29.1	Very low	180 Å²	180	138.2 Å²	138.2	71%	0.706	70%	0.701	S	S	*	*			trans	69.5	102.3	175.3	-69.5	-90.5	0	0	0	116.3
1609	R	30.6	Very low	29.1	Very low	183 Å²	183	140.9 Å²	140.9	69%	0.691	71%	0.714	S	S	*	*				92.3	145.8	70.8	-90.6	-150.6	164.6	144.9	-4.6	110.6
1610	E	31.4	Very low	29	Very low	128 Å²	128	142.8 Å²	142.8	60%	0.598	72%	0.719	S	S	*	*			cis	-169.5	161.2	-13.8	-115.7	176.4	-152.6	0	0	104.8
1611	N	30.3	Very low	28.9	Very low	134 Å²	134	152.7 Å²	152.7	72%	0.717	75%	0.751	S	S	*	*			cis	-153.2	149.1	6.7	-137.7	-35.3	0	0	0	108.1
1612	N	28.8	Very low	28.8	Very low	129 Å²	129	156.8 Å²	156.8	69%	0.69	76%	0.759	S	S	*	*			trans	-116.8	155.1	-175.5	-148.6	-13.2	0	0	0	112.8
1613	L	29.9	Very low	28.6	Very low	136 Å²	136	156.3 Å²	156.3	71%	0.712	76%	0.756	S	S	*	*			trans	-10.5	148.5	178.8	-70.6	159.3	0	0	0	121.5
1614	Q	25.6	Very low	28.6	Very low	161 Å²	161	158 Å²	158	75%	0.752	76%	0.756	S	S	*	*			trans	-68	144.6	163	-65.5	-177	-14.7	0	0	112.1
1615	F	27.5	Very low	28.5	Very low	200 Å²	200	157.4 Å²	157.4	88%	0.877	75%	0.754	S	S	*	*				-148.8	139.9	128.3	-107	-79.1	0	0	0	110.3
1616	N	27.2	Very low	28.8	Very low	115 Å²	115	156 Å²	156	62%	0.615	75%	0.752	S	S	*	*			trans	-96.1	156.2	159.4	-66.9	-77.1	0	0	0	107
1617	F	28	Very low	28.9	Very low	189 Å²	189	157.2 Å²	157.2	83%	0.829	76%	0.763	S	S	*	*				171.6	-177.4	69.5	-101.8	-56	0	0	0	107.3
1618	P	38	Very low	29	Very low	96 Å²	96	155.5 Å²	155.5	62%	0.623	76%	0.762	S	S	*	*			cis	-132.3	170.1	-26.5	33.5	-16.6	0	0	0	113.8
1619	L	29.9	Very low	28.9	Very low	177 Å²	177	157.9 Å²	157.9	93%	0.927	77%	0.771	S	S	*	*			trans	-125.9	119.1	136.7	-90.7	176.3	0	0	0	109.7
1620	K	27.3	Very low	28.9	Very low	182 Å²	182	153.6 Å²	153.6	79%	0.791	77%	0.769	S	S	*	*			trans	-86.2	131.9	166.4	-70.6	177.5	179.2	174	0	108.5
1621	W	26.2	Very low	29	Very low	241 Å²	241	156.1 Å²	156.1	91%	0.913	78%	0.778	S	S	*	*			trans	-130.6	112.1	136.8	-98.6	74.6	0	0	0	107.8	V1623	W1621-V1623 HydrophobicContact CE3-CG2 4.32Å; W1621-V1623 HydrophobicContact CZ3-CG2 4.27Å
1622	K	26.4	Very low	29	Very low	198 Å²	198	153.2 Å²	153.2	86%	0.861	76%	0.763	S	S	*	*			trans	-149.5	111.3	166.6	-154.1	-174.1	-173.7	-165.6	0	106.5	E1624	K1622-E1624 PolarHBondContact O-N 3.23Å
1623	V	28.4	Very low	29	Very low	105 Å²	105	152.7 Å²	152.7	64%	0.636	76%	0.758	S	S	*	*			trans	-76.6	122.2	177.6	174.8	0	0	0	0	108.2	W1621	W1621-V1623 HydrophobicContact CE3-CG2 4.32Å; W1621-V1623 HydrophobicContact CZ3-CG2 4.27Å
1624	E	27.9	Very low	29.1	Very low	164 Å²	164	150.4 Å²	150.4	77%	0.766	75%	0.746	S	S	*	*			trans	28	101	144.4	-60.9	165.9	170.9	0	0	117.5	K1622	K1622-E1624 PolarHBondContact O-N 3.23Å
1625	D	26	Very low	29.6	Very low	160 Å²	160	145.4 Å²	145.4	86%	0.856	72%	0.724	S	S	*	*				-179.9	119.7	107.9	-102	-17.5	0	0	0	111.8
1626	P	32.6	Very low	29.9	Very low	116 Å²	116	140.3 Å²	140.3	75%	0.753	71%	0.706	S	S	*	*			trans	-118.6	96.3	168.8	35.4	-21.6	0	0	0	111.9	A1628	P1626-A1628 PolarHBondContact O-N 2.96Å
1627	L	27.7	Very low	30.3	Very low	187 Å²	187	136.7 Å²	136.7	98%	0.979	69%	0.69	S	S	*	*			trans	-67.4	116.1	164	-80	170.5	0	0	0	109.7
1628	A	29.1	Very low	30.7	Very low	85 Å²	85	135.6 Å²	135.6	70%	0.702	69%	0.687	S	S	*	*			trans	-111	122.1	-178.7	0	0	0	0	0	111.9	P1626	P1626-A1628 PolarHBondContact O-N 2.96Å
1629	Y	29.1	Very low	30.6	Very low	229 Å²	229	136 Å²	136	90%	0.898	69%	0.688	S	S	*	*			trans	-163.9	130	161.1	-113	-90.7	0	0	0	106.2
1630	S	30.4	Very low	31	Very low	94 Å²	94	131.8 Å²	131.8	66%	0.657	66%	0.662	S	S	*	*			cis	-148.4	157.5	-4.1	57.6	0	0	0	0	108.3
1631	K	33.4	Very low	31.3	Very low	181 Å²	181	125.9 Å²	125.9	79%	0.787	64%	0.64	S	S	*	*				41.5	123.8	74.7	-68.2	-172.5	172.4	-175.7	0	112.6
1632	N	28.9	Very low	31.8	Very low	73 Å²	73	117.5 Å²	117.5	39%	0.39	61%	0.613	S	S	.	*			cis	-155.3	173.7	9.9	-90.2	-1.5	0	0	0	109.1	E2448 R2449	N1632-E2448 WeakPolarHBondContact CB-O 3.12Å; N1632-E2448 PolarHBondContact ND2-O 2.87Å; N1632-E2448 VanDerWaalsContact ND2-O 3.16Å; N1632-R2449 WeakPolarHBondContact CB-O 3.37Å; N1632-R2449 PolarHBondContact ND2-O 2.82Å
1633	M	30.3	Very low	32.2	Very low	118 Å²	118	111 Å²	111	58%	0.581	59%	0.587	S	S	*	*			cis	96.2	154.4	15.2	-161.3	164.7	66.8	0	0	116.1	K2447 E2448 R2449 E2450	M1633-K2447 WeakPolarHBondContact CE-O 2.97Å; M1633-E2448 VanDerWaalsContact C-C 3.45Å; M1633-E2448 CarbonylContact C-O 3.5Å; M1633-E2448 VanDerWaalsContact CB-O 3.24Å; M1633-E2448 WeakPolarHBondContact CB-O 3.36Å; M1633-E2448 CarbonylContact O-C 3.35Å; M1633-R2449 CarbonylContact O-C 3.19Å; M1633-R2449 WeakPolarHBondContact O-CA 3.47Å; M1633-R2449 PolarHBondContact O-N 3.47Å; M1633-E2450 PolarHBondContact O-N 3.38Å
1634	D	31.8	Very low	32.7	Very low	87 Å²	87	111.2 Å²	111.2	47%	0.465	58%	0.581	S	S	.	*			trans	-155.5	-161	173.5	-156.8	-106.9	0	0	0	115.6	K2447 E2448 R2449	D1634-K2447 CarbonylContact O-C 3.51Å; D1634-K2447 WeakPolarHBondContact O-CA 3.47Å; D1634-E2448 VanDerWaalsContact CA-C 3.4Å; D1634-E2448 PolarHBondContact N-O 3.32Å; D1634-E2448 WeakPolarHBondContact O-CA 3.17Å; D1634-E2448 PolarHBondContact O-N 2.75Å; D1634-E2448 VanDerWaalsContact O-N 3.13Å; D1634-R2449 WeakPolarHBondContact OD2-CA 3.27Å; D1634-R2449 VanDerWaalsContact OD2-CB 3.31Å; D1634-R2449 WeakPolarHBondContact OD2-CB 3.31Å; D1634-R2449 PolarHBondContact OD2-N 2.88Å; D1634-R2449 IonicContact OD2-NE 2.66Å
1635	N	35	Very low	33.2	Very low	56 Å²	56	108.2 Å²	108.2	30%	0.299	57%	0.57	S	S	.	*			trans	-88.1	174.1	-149.4	-88.4	-78.8	0	0	0	119.2	K2447 E2448 R2449	N1635-K2447 PolarHBondContact OD1-NZ 3.17Å; N1635-E2448 VanDerWaalsContact ND2-CD 3.32Å; N1635-E2448 PolarHBondContact ND2-OE1 3.49Å; N1635-E2448 VanDerWaalsContact OD1-CG 3.29Å; N1635-E2448 WeakPolarHBondContact OD1-CG 3.41Å; N1635-E2448 PolarHBondContact OD1-OE1 2.75Å; N1635-E2448 PolarHBondContact OD1-OE2 3.42Å; N1635-R2449 PolarHBondContact ND2-NH2 3.3Å
1636	N	34.9	Very low	33.5	Very low	93 Å²	93	105.4 Å²	105.4	50%	0.497	56%	0.555	S	S	.	*			cis	-145.7	-144.9	14.9	-149.4	5.8	0	0	0	117.9	K2447	N1636-K2447 VanDerWaalsContact O-CG 3.27Å; N1636-K2447 WeakPolarHBondContact O-CG 3.2Å; N1636-K2447 PolarHBondContact OD1-NZ 2.83Å
1637	S	34.6	Very low	33.6	Very low	39 Å²	39	107.3 Å²	107.3	27%	0.273	55%	0.554	S	S	.	*			trans	-135.2	161.1	-136.9	59.1	0	0	0	0	120.8
1638	Q	37.5	Very low	33.9	Very low	166 Å²	166	106 Å²	106	78%	0.776	54%	0.543	S	S	*	.			trans	71.9	125.6	149.7	-69.5	145.2	-0.8	0	0	117
1639	T	35.2	Very low	34.1	Very low	105 Å²	105	108 Å²	108	64%	0.644	54%	0.541	S	S	*	.				-164.1	173.5	55.5	51.1	0	0	0	0	113
1640	K	37.5	Very low	34.2	Very low	88 Å²	88	100.9 Å²	100.9	38%	0.383	53%	0.525	S	S	.	.			cis	-170.5	145.6	-19	-98.7	-178.2	-53.3	173	0	113.4	K223 L224 L225 D226	K223-K1640 CarbonylContact O-C 3.39Å; K223-K1640 WeakPolarHBondContact O-CA 3.32Å; L224-K1640 CarbonylContact O-C 3.09Å; L224-K1640 WeakPolarHBondContact O-CA 3.29Å; L224-K1640 WeakPolarHBondContact O-CG 3.12Å; L225-K1640 HydrophobicContact CD1-CB 3.78Å; L225-K1640 HydrophobicContact CD1-CD 4.12Å; L225-K1640 HydrophobicContact CD1-CG 4.33Å; D226-K1640 HydrophobicContact CB-CD 4.41Å; D226-K1640 WeakPolarHBondContact OD1-CD 3.38Å; D226-K1640 IonicContact OD1-NZ 3.87Å; D226-K1640 PolarHBondContact OD1-NZ 3.25Å; D226-K1640 IonicContact OD2-NZ 3.91Å; D226-K1640 PolarHBondContact OD2-NZ 3.47Å
1641	N	34.8	Very low	34.6	Very low	59 Å²	59	101.4 Å²	101.4	32%	0.316	53%	0.527	S	S	.	.			trans	-172.5	144	163.1	-166.4	29.1	0	0	0	117.7	K223 L224 L225	K223-N1641 VanDerWaalsContact C-N 3.29Å; K223-N1641 CarbonylContact C-O 3.42Å; K223-N1641 PolarHBondContact O-N 2.73Å; L224-N1641 CarbonylContact C-O 3.37Å; L224-N1641 WeakPolarHBondContact CA-O 3.09Å; L224-N1641 PolarHBondContact N-O 2.95Å; L224-N1641 PolarHBondContact O-N 3.49Å; L225-N1641 PolarHBondContact N-O 2.9Å; L225-N1641 VanDerWaalsContact N-O 3.13Å
1642	N	35.6	Very low	34.5	Very low	65 Å²	65	101.8 Å²	101.8	35%	0.348	53%	0.531	S	S	.	.			trans	-149.7	163.1	-175.4	-94.3	18.8	0	0	0	111.2	L225	L225-N1642 HydrophobicContact CB-CB 3.39Å; L225-N1642 HydrophobicContact CD2-CB 3.81Å; L225-N1642 HydrophobicContact CG-CB 4.23Å; L225-N1642 PolarHBondContact N-OD1 2.46Å
1643	N	36.7	Very low	34.7	Very low	61 Å²	61	102.7 Å²	102.7	33%	0.326	54%	0.543	S	S	.	.			cis	-146.2	-149.9	-21.7	-139.5	42.5	0	0	0	111.6	T211 N212	T211-N1643 CarbonylContact C-O 3.44Å; T211-N1643 WeakPolarHBondContact CA-O 3.36Å; T211-N1643 WeakPolarHBondContact CB-O 3.01Å; T211-N1643 PolarHBondContact N-O 3.19Å; T211-N1643 VanDerWaalsContact O-O 3.05Å; T211-N1643 PolarHBondContact OG1-O 3.34Å; N212-N1643 PolarHBondContact ND2-OD1 3.42Å
1644	E	37.3	Very low	34.8	Very low	109 Å²	109	103.3 Å²	103.3	51%	0.509	55%	0.549	S	S	.	.			trans	-85.3	148.2	-144.7	-74.3	143.1	-163.3	0	0	121.2	T211 N212 H213	T211-E1644 CarbonylContact O-C 3.25Å; T211-E1644 VanDerWaalsContact O-C 3.31Å; T211-E1644 WeakPolarHBondContact O-CA 3.45Å; N212-E1644 HydrophobicContact CB-CG 4.02Å; N212-E1644 WeakPolarHBondContact O-CA 3.24Å; N212-E1644 VanDerWaalsContact O-CG 3.27Å; N212-E1644 WeakPolarHBondContact O-CG 3.2Å; H213-E1644 HydrophobicContact CB-CG 4.26Å
1645	L	39.1	Very low	34.9	Very low	101 Å²	101	106.4 Å²	106.4	53%	0.529	56%	0.56	S	S	.	*			trans	69.2	124.5	136.5	-69.9	167.3	0	0	0	124.8	T211	T211-L1645 PolarHBondContact O-N 3.13Å
1646	N	32.6	Very low	34.9	Very low	102 Å²	102	111.1 Å²	111.1	55%	0.545	59%	0.586	S	S	.	*			trans	65	138.2	135.1	-76.1	31.5	0	0	0	126.3
1647	E	34.7	Very low	34.8	Very low	156 Å²	156	115.1 Å²	115.1	73%	0.729	60%	0.601	S	S	*	*			trans	81.9	95.7	139.7	-76.2	160	-132.4	0	0	122.6
1648	E	33.9	Very low	34.6	Very low	160 Å²	160	118 Å²	118	75%	0.748	62%	0.62	S	S	*	*				90.9	121.6	120.1	-80.3	-166.3	-155.1	0	0	124.4
1649	N	33	Very low	34.3	Very low	125 Å²	125	117.7 Å²	117.7	67%	0.668	62%	0.622	S	S	*	*			trans	83.2	95.3	138.5	-56.1	-22.6	0	0	0	122.5
1650	S	30.7	Very low	34.1	Very low	80 Å²	80	116.2 Å²	116.2	56%	0.559	62%	0.616	S	S	*	*				18.7	140.2	119.7	-50.1	0	0	0	0	120.3	D205	D205-S1650 PolarHBondContact O-OG 3.23Å
1651	P	40.3	Very low	33.9	Very low	106 Å²	106	118.8 Å²	118.8	69%	0.688	64%	0.635	S	S	*	*				-155.4	150.1	94.2	38.6	-20.3	0	0	0	119.2
1652	Q	30.8	Very low	33.9	Very low	189 Å²	189	120.5 Å²	120.5	88%	0.883	65%	0.647	S	S	*	*			trans	58.1	146.7	138.8	-59.2	173.9	-17.1	0	0	119.9
1653	S	32.7	Very low	33.8	Very low	92 Å²	92	122.5 Å²	122.5	64%	0.643	66%	0.664	S	S	*	*			cis	-174.6	149.9	42.1	56.1	0	0	0	0	115
1654	N	31.8	Very low	33.7	Very low	131 Å²	131	126.9 Å²	126.9	70%	0.701	69%	0.686	S	S	*	*			trans	64	153.4	139.2	-62	2.6	0	0	0	122
1655	Q	34	Very low	33.5	Very low	151 Å²	151	127.8 Å²	127.8	71%	0.706	69%	0.694	S	S	*	*			cis	-171.4	152.9	-15.7	-107.7	166.3	-27.9	0	0	109.6
1656	N	35.2	Very low	33.1	Very low	155 Å²	155	128.6 Å²	128.6	83%	0.829	70%	0.699	S	S	*	*			trans	164.6	169.6	132.7	-83.8	-7.4	0	0	0	114.5
1657	E	33.6	Very low	33	Very low	177 Å²	177	128.7 Å²	128.7	83%	0.827	70%	0.699	S	S	*	*			trans	-111.3	156.4	-148.9	-56.3	165.8	123.2	0	0	116.5
1658	C	29.2	Very low	32.8	Very low	99 Å²	99	127.7 Å²	127.7	67%	0.669	69%	0.694	S	S	*	*			trans	28.2	151.3	136.4	-50.9	0	0	0	0	121.7
1659	I	32.2	Very low	32.6	Very low	160 Å²	160	128.5 Å²	128.5	82%	0.821	69%	0.691	S	S	*	*				-159.5	152.5	53.3	-75.6	176	0	0	0	112.9
1660	S	30.3	Very low	32.4	Very low	74 Å²	74	129.4 Å²	129.4	52%	0.517	70%	0.696	S	S	.	*			trans	-34.3	148.7	179.4	60	0	0	0	0	124.6
1661	N	33.9	Very low	32.4	Very low	143 Å²	143	133.8 Å²	133.8	77%	0.765	71%	0.707	S	S	*	*				170.4	103	114.3	-84.3	-34.3	0	0	0	111.6
1662	V	34.5	Very low	31.9	Very low	94 Å²	94	135.6 Å²	135.6	57%	0.57	71%	0.711	S	S	*	*				74	129	83	169.6	0	0	0	0	112.9
1663	P	34.3	Very low	32	Very low	108 Å²	108	131.2 Å²	131.2	70%	0.701	70%	0.697	S	S	*	*	S	Bend	cis	-121	177	27	44.9	-33.7	0	0	0	115
1664	L	33.3	Very low	32	Very low	153 Å²	153	132.6 Å²	132.6	80%	0.801	70%	0.702	S	S	*	*	S	Bend	cis	-122.7	115.7	8.7	-77.6	164.8	0	0	0	112.7
1665	L	32.7	Very low	32.1	Very low	127 Å²	127	130.3 Å²	130.3	67%	0.665	69%	0.687	S	S	*	*			trans	37.8	134.3	147.3	-68.4	83.7	0	0	0	121.5
1666	N	31.5	Very low	31.9	Very low	119 Å²	119	126.5 Å²	126.5	64%	0.636	67%	0.669	S	S	*	*			cis	-163.7	112.1	-11.1	-117.8	0	0	0	0	111.7
1667	N	31	Very low	31.8	Very low	103 Å²	103	125.9 Å²	125.9	55%	0.551	66%	0.659	S	S	*	*				38.2	113.3	113.5	-73.2	-7.1	0	0	0	121.2
1668	H	29.7	Very low	31.7	Very low	136 Å²	136	120.7 Å²	120.7	63%	0.63	64%	0.642	S	S	*	*				83.4	140.8	115.6	-93.3	-79.2	0	0	0	124.5
1669	Y	31	Very low	31.9	Very low	176 Å²	176	123.4 Å²	123.4	69%	0.69	65%	0.645	S	S	*	*			trans	85	123.8	136	-84.2	-48.1	0	0	0	123.5
1670	L	28.8	Very low	31.9	Very low	145 Å²	145	122.6 Å²	122.6	76%	0.759	64%	0.642	S	S	*	*			trans	66.8	-173.2	137	-88	164.3	0	0	0	119.6
1671	E	30	Very low	31.7	Very low	171 Å²	171	124.3 Å²	124.3	80%	0.799	65%	0.652	S	S	*	*	S	Bend	trans	-75.6	139.1	-159.2	-64	169.5	123.5	0	0	114.2
1672	D	29.5	Very low	31.6	Very low	145 Å²	145	123 Å²	123	78%	0.775	65%	0.649	S	S	*	*	S	Bend	trans	61.7	167.3	155.7	-79.1	-11.7	0	0	0	120.7
1673	V	33.3	Very low	31.4	Very low	97 Å²	97	125.1 Å²	125.1	59%	0.588	66%	0.656	S	S	*	*			trans	62.2	75	179.6	-163.8	0	0	0	0	113.1	I111	I111-V1673 HydrophobicContact CD1-CG1 4.33Å; I111-V1673 WeakPolarHBondContact CD1-O 3.42Å
1674	T	32.8	Very low	31.1	Very low	121 Å²	121	128.2 Å²	128.2	74%	0.742	66%	0.661	S	S	*	*			trans	-141.8	150.1	176.7	54.9	0	0	0	0	112.4
1675	E	32.8	Very low	30.7	Very low	82 Å²	82	126.6 Å²	126.6	38%	0.383	66%	0.662	S	S	.	*			trans	-167.3	173.5	-177.9	-141.8	-91.6	100.5	0	0	112.7	P110 P112 L113	P110-E1675 VanDerWaalsContact CB-O 3.25Å; P110-E1675 WeakPolarHBondContact CB-O 3.3Å; P110-E1675 WeakPolarHBondContact CG-O 3.34Å; P112-E1675 WeakPolarHBondContact CD-OE2 3.2Å; L113-E1675 HydrophobicContact CD1-CG 4.38Å; L113-E1675 HydrophobicContact CG-CG 4.34Å
1676	Q	31.5	Very low	31.1	Very low	72 Å²	72	124.5 Å²	124.5	34%	0.336	66%	0.655	S	S	.	*			trans	72.8	147.3	155.3	-117.5	172.7	99	0	0	122.5	P110	P110-Q1676 HydrophobicContact CB-CB 3.56Å; P110-Q1676 WeakPolarHBondContact CB-O 3.48Å; P110-Q1676 WeakPolarHBondContact CG-O 3.38Å
1677	K	33.1	Very low	31.1	Very low	141 Å²	141	121.1 Å²	121.1	61%	0.613	64%	0.637	S	S	*	*			trans	29.3	143.2	150.4	-76.6	164.6	-166	159.8	0	122.8
1678	S	30.9	Very low	31.3	Very low	68 Å²	68	121.2 Å²	121.2	48%	0.476	63%	0.63	S	S	.	*			cis	174.1	152.4	-22.9	43.9	0	0	0	0	108.8
1679	Q	33.9	Very low	31.4	Very low	156 Å²	156	119.9 Å²	119.9	73%	0.729	63%	0.627	S	S	*	*			trans	62.7	168.8	162	-61.5	156	-20.2	0	0	115.1
1680	L	30.8	Very low	31.3	Very low	144 Å²	144	121.3 Å²	121.3	75%	0.754	63%	0.631	S	S	*	*			cis	-110.3	148.4	-7	-89.3	88.6	0	0	0	109.6
1681	C	26.7	Very low	31.2	Very low	109 Å²	109	118.9 Å²	118.9	74%	0.736	63%	0.626	S	S	*	*				52.1	139	94	-46.9	0	0	0	0	114.4
1682	V	31.4	Very low	31.1	Very low	115 Å²	115	117.8 Å²	117.8	70%	0.697	62%	0.623	S	S	*	*				-172.6	130.9	76	145	0	0	0	0	112
1683	I	30.8	Very low	31.1	Very low	140 Å²	140	116 Å²	116	72%	0.718	61%	0.61	S	S	*	*			trans	61.4	141.8	144.2	-66.6	-179.4	0	0	0	119.9
1684	E	28.5	Very low	30.9	Very low	172 Å²	172	113.6 Å²	113.6	80%	0.804	59%	0.594	S	S	*	*			cis	-161	-168.7	-10.8	-112.6	178.7	-179.5	0	0	112.3
1685	C	23.9	Very low	30.8	Very low	120 Å²	120	112 Å²	112	81%	0.811	58%	0.58	S	S	*	*			trans	-116.4	-135.1	-168.2	-61.7	0	0	0	0	116.1
1686	P	40.6	Very low	30.6	Very low	82 Å²	82	111 Å²	111	53%	0.532	58%	0.581	S	S	.	*				-133	166.9	-100.1	39.7	-22.1	0	0	0	121.6	Q532	Q532-P1686 HydrophobicContact CB-CG 4.32Å; Q532-P1686 VanDerWaalsContact OE1-CB 3.28Å; Q532-P1686 VanDerWaalsContact OE1-CG 3.3Å; Q532-P1686 PolarHBondContact OE1-O 3Å
1687	N	32	Very low	30.4	Very low	49 Å²	49	111.2 Å²	111.2	26%	0.262	59%	0.591	S	S	.	*			trans	24.4	146.1	164.2	-37.2	-68.5	0	0	0	128	D178 R180 Q532	D178-N1687 WeakPolarHBondContact CB-O 3Å; R180-N1687 HydrophobicContact CG-CB 3.87Å; R180-N1687 PolarHBondContact NE-OD1 3.31Å; R180-N1687 VanDerWaalsContact NE-OD1 3.09Å; R180-N1687 PolarHBondContact NH1-OD1 3.01Å; R180-N1687 VanDerWaalsContact NH1-OD1 3.14Å; R180-N1687 PolarHBondContact NH2-OD1 3.18Å; R180-N1687 VanDerWaalsContact NH2-OD1 3.11Å; Q532-N1687 PolarHBondContact NE2-O 3.03Å; Q532-N1687 PolarHBondContact OE1-ND2 2.89Å
1688	R	34.5	Very low	30.4	Very low	104 Å²	104	105.8 Å²	105.8	39%	0.392	57%	0.57	S	S	.	*			trans	-57	146	165.6	45.6	131.3	162.4	124.9	3.1	120.3	D178 N179 R180 Q181	D178-R1688 VanDerWaalsContact CB-C 3.44Å; D178-R1688 WeakPolarHBondContact OD2-CA 3.45Å; N179-R1688 CarbonylContact C-O 3.57Å; N179-R1688 WeakPolarHBondContact CA-O 3.18Å; N179-R1688 WeakPolarHBondContact CB-O 3.17Å; N179-R1688 PolarHBondContact N-O 2.7Å; R180-R1688 HydrophobicContact CG-CG 4.25Å; Q181-R1688 PolarHBondContact O-NH1 2.85Å
1689	L	33	Very low	30.3	Very low	108 Å²	108	107.9 Å²	107.9	57%	0.565	58%	0.576	S	S	*	*			cis	-155.2	166.3	2	-94.4	165.4	0	0	0	112.9	D178 N179	D178-L1689 VanDerWaalsContact CB-N 3.31Å; D178-L1689 WeakPolarHBondContact OD1-CA 3.33Å; D178-L1689 WeakPolarHBondContact OD2-CA 3.39Å; D178-L1689 PolarHBondContact OD2-N 3.03Å; N179-L1689 PolarHBondContact N-O 2.89Å; N179-L1689 WeakPolarHBondContact ND2-CB 3.46Å; N179-L1689 PolarHBondContact ND2-N 3.45Å; N179-L1689 VanDerWaalsContact ND2-N 3.12Å; N179-L1689 PolarHBondContact ND2-O 2.87Å; N179-L1689 PolarHBondContact OD1-O 3.49Å
1690	R	28.7	Very low	30	Very low	207 Å²	207	108.5 Å²	108.5	78%	0.781	58%	0.584	S	S	*	*			trans	103.9	101.7	161.4	-77.9	-162.9	177.2	-149.4	2.1	124.8	D178	D178-R1690 PolarHBondContact OD1-N 3.39Å
1691	S	27.5	Very low	30.1	Very low	94 Å²	94	108.8 Å²	108.8	66%	0.657	59%	0.585	S	S	*	*				71.8	108.6	128.1	65.4	0	0	0	0	128.3
1692	M	26.8	Very low	30.4	Very low	147 Å²	147	114.9 Å²	114.9	72%	0.724	59%	0.593	S	S	*	*				65.2	153.3	129.6	-83.1	-173.3	134.4	0	0	124	N174	N174-M1692 VanDerWaalsContact OD1-C 3.32Å
1693	Q	28.9	Very low	30.2	Very low	109 Å²	109	116.6 Å²	116.6	51%	0.509	60%	0.598	S	S	.	*			cis	-163.4	154.2	-5.5	169.8	-168.7	-54.7	0	0	108.4	I173 N174	I173-Q1693 CarbonylContact C-O 3.58Å; I173-Q1693 VanDerWaalsContact C-O 3.25Å; I173-Q1693 PolarHBondContact N-O 2.95Å; N174-Q1693 VanDerWaalsContact CB-C 3.47Å; N174-Q1693 VanDerWaalsContact OD1-CA 3.22Å; N174-Q1693 WeakPolarHBondContact OD1-CA 3.32Å; N174-Q1693 PolarHBondContact OD1-N 3.45Å; N174-Q1693 VanDerWaalsContact OD1-N 3.13Å
1694	D	30.3	Very low	30.1	Very low	45 Å²	45	115.1 Å²	115.1	24%	0.241	60%	0.601	C	S	.	*			cis	-123.2	-63	5.3	20.7	-121.9	0	0	0	119	G172 I173 N174	G172-D1694 PolarHBondContact N-OD2 3.41Å; I173-D1694 PolarHBondContact N-OD2 3Å; N174-D1694 VanDerWaalsContact CB-N 3.29Å; N174-D1694 VanDerWaalsContact CB-O 3.31Å; N174-D1694 WeakPolarHBondContact CB-O 3.06Å; N174-D1694 PolarHBondContact ND2-O 2.81Å
1695	I	31	Very low	30.1	Very low	88 Å²	88	115.6 Å²	115.6	45%	0.451	60%	0.603	S	S	.	*			trans	-112.3	-148.8	179.4	-82.4	73.8	0	0	0	112.6	I173 N174	I173-I1695 VanDerWaalsContact CB-O 3.32Å; I173-I1695 WeakPolarHBondContact CB-O 3.16Å; I173-I1695 HydrophobicContact CG2-CB 4.46Å; I173-I1695 HydrophobicContact CG2-CG2 3.65Å; N174-I1695 VanDerWaalsContact CB-O 3.27Å; N174-I1695 WeakPolarHBondContact CB-O 3.48Å; N174-I1695 PolarHBondContact N-O 3.37Å
1696	C	28.6	Very low	30.4	Very low	60 Å²	60	115.6 Å²	115.6	41%	0.405	60%	0.604	S	S	.	*			cis	-166.1	167.5	-7.7	-121.5	0	0	0	0	108	I173 L527	I173-C1696 HydrophobicContact CG2-CB 4.42Å; L527-C1696 WeakPolarHBondContact CD1-O 3.33Å
1697	S	27	Very low	30	Very low	78 Å²	78	117 Å²	117	55%	0.545	62%	0.623	S	S	.	*			cis	-176.8	103.8	-37.6	-87.4	0	0	0	0	113.5	S526	S526-S1697 PolarHBondContact OG-N 2.94Å; S526-S1697 PolarHBondContact OG-O 3.26Å
1698	S	32	Very low	30	Very low	27 Å²	27	119.7 Å²	119.7	19%	0.189	65%	0.652	C	S	.	*			trans	-161.8	146.4	154.3	50.1	0	0	0	0	109	N525 S526	N525-S1698 WeakPolarHBondContact OD1-CB 3.25Å; S526-S1698 VanDerWaalsContact CA-OG 3.32Å; S526-S1698 WeakPolarHBondContact CA-OG 3.07Å; S526-S1698 PolarHBondContact N-OG 2.86Å; S526-S1698 PolarHBondContact O-OG 3.27Å; S526-S1698 PolarHBondContact OG-N 3.28Å; S526-S1698 VanDerWaalsContact OG-N 3.13Å; S526-S1698 PolarHBondContact OG-OG 3.22Å; S526-S1698 VanDerWaalsContact OG-OG 3.1Å
1699	N	29.5	Very low	29.9	Very low	112 Å²	112	119.9 Å²	119.9	60%	0.599	68%	0.675	S	S	*	*			cis	81.2	86.8	29.8	-62.2	33.8	0	0	0	114.5	N525	N525-N1699 PolarHBondContact ND2-O 3.18Å
1700	D	28.6	Very low	30	Very low	168 Å²	168	120.1 Å²	120.1	90%	0.898	69%	0.686	S	S	*	*				-103.2	152.7	121.6	-78.3	-49.7	0	0	0	108.1
1701	I	32.8	Very low	30.4	Very low	151 Å²	151	115.8 Å²	115.8	77%	0.774	69%	0.688	S	S	*	*			trans	-108.8	151.8	-179.3	-66.8	174.6	0	0	0	108.4
1702	W	31.9	Very low	31	Very low	237 Å²	237	114.8 Å²	114.8	90%	0.898	69%	0.692	S	S	*	*			trans	-58.8	142.2	179.3	-75.7	0.7	0	0	0	114
1703	D	27	Very low	31.5	Very low	150 Å²	150	116 Å²	116	80%	0.802	70%	0.7	S	S	*	*			trans	21.9	111.2	143.6	-53.6	-24.1	0	0	0	119.4
1704	S	28.7	Very low	31.9	Very low	110 Å²	110	114.1 Å²	114.1	77%	0.769	71%	0.709	S	S	*	*				-165.8	139.6	124.9	60.1	0	0	0	0	112.9
1705	E	28.3	Very low	32.2	Very low	181 Å²	181	118 Å²	118	85%	0.846	74%	0.74	S	S	*	*			trans	70.9	90.5	156.7	-63	-174.6	163.5	0	0	121.3
1706	S	30.2	Very low	32.5	Very low	120 Å²	120	117.2 Å²	117.2	84%	0.839	75%	0.754	S	S	*	*				57	96.3	109.4	-54.6	0	0	0	0	121.9
1707	A	32.7	Very low	32.9	Very low	112 Å²	112	120.7 Å²	120.7	93%	0.926	77%	0.773	S	S	*	*			trans	-158.3	143.4	136.8	0	0	0	0	0	111.5
1708	A	31.3	Very low	33.2	Very low	106 Å²	106	122.9 Å²	122.9	88%	0.876	78%	0.783	S	S	*	*			trans	-102.3	149.1	-167.9	0	0	0	0	0	115.6
1709	A	32.7	Very low	33.2	Very low	107 Å²	107	127.4 Å²	127.4	88%	0.884	81%	0.81	S	S	*	*			trans	-170.5	166.7	144.3	0	0	0	0	0	110.8
1710	S	35.5	Very low	33.4	Very low	113 Å²	113	128.5 Å²	128.5	79%	0.79	82%	0.82	S	S	*	*			trans	-148.8	166	-165.1	62.4	0	0	0	0	117.3
1711	S	36.9	Very low	33.7	Very low	117 Å²	117	127.3 Å²	127.3	82%	0.818	82%	0.819	S	S	*	*			trans	100.6	128.9	145.7	78.7	0	0	0	0	123.2
1712	G	40.5	Very low	33.7	Very low	72 Å²	72	124 Å²	124	74%	0.742	81%	0.814	S	S	*	*			trans	88	158	137.3	0	0	0	0	0	121.4
1713	I	37.8	Very low	33.6	Very low	173 Å²	173	117.7 Å²	117.7	89%	0.887	81%	0.807	S	S	*	*			cis	-156.9	139	-12.2	-56.6	-173.3	0	0	0	111.5
1714	G	36.7	Very low	34	Very low	69 Å²	69	118.5 Å²	118.5	71%	0.711	81%	0.811	S	S	*	*			trans	82.7	159.8	145.6	0	0	0	0	0	120.5
1715	S	36.8	Very low	34	Very low	127 Å²	127	120.5 Å²	120.5	89%	0.888	81%	0.813	S	S	*	*			cis	-162.6	171.8	-8.7	-84.9	0	0	0	0	111.8
1716	G	37.5	Very low	34.1	Very low	72 Å²	72	116.2 Å²	116.2	74%	0.742	80%	0.803	S	S	*	*			trans	-78.9	-155.8	-170.7	0	0	0	0	0	118.4
1717	V	37.1	Very low	34	Very low	132 Å²	132	117.7 Å²	117.7	80%	0.8	80%	0.802	S	S	*	*			cis	-168.1	140.7	43.4	142.1	0	0	0	0	114.8
1718	T	33.1	Very low	34.5	Very low	124 Å²	124	117.1 Å²	117.1	76%	0.761	79%	0.789	S	S	*	*			trans	42	144.5	155.2	63.2	0	0	0	0	126.5
1719	T	31.7	Very low	34.4	Very low	122 Å²	122	118.4 Å²	118.4	75%	0.748	79%	0.786	S	S	*	*			trans	-105.3	170.9	148	44.2	0	0	0	0	111.4
1720	T	34.6	Very low	34.2	Very low	135 Å²	135	117.4 Å²	117.4	83%	0.828	78%	0.777	S	S	*	*			trans	-136.6	168.1	179.1	47.2	0	0	0	0	113.7
1721	T	33.7	Very low	33.9	Very low	143 Å²	143	120.1 Å²	120.1	88%	0.877	78%	0.778	S	S	*	*			trans	-132.3	-178.6	-177.3	58.3	0	0	0	0	109.2
1722	A	33	Very low	33.5	Very low	81 Å²	81	120.6 Å²	120.6	67%	0.669	77%	0.771	S	S	*	*			cis	-155.3	-171.2	13.4	0	0	0	0	0	112.2
1723	S	31	Very low	33.1	Very low	105 Å²	105	124.3 Å²	124.3	73%	0.734	77%	0.769	S	S	*	*			trans	46.2	119.3	149.5	60.2	0	0	0	0	121.3
1724	D	33.8	Very low	32.7	Very low	168 Å²	168	123 Å²	123	90%	0.898	76%	0.758	S	S	*	*				-160.1	170.5	108.2	-116.1	-21.5	0	0	0	112.3
1725	N	29.9	Very low	32.5	Very low	152 Å²	152	126.1 Å²	126.1	81%	0.813	75%	0.754	S	S	*	*			trans	-148.3	162.9	-162.1	-153.6	-7.1	0	0	0	115.4
1726	S	30.8	Very low	32	Very low	91 Å²	91	126.7 Å²	126.7	64%	0.636	74%	0.743	S	S	*	*			trans	90	135.4	159.5	83.9	0	0	0	0	122.9
1727	N	28	Very low	31.7	Very low	151 Å²	151	131.2 Å²	131.2	81%	0.807	74%	0.742	S	S	*	*			trans	99.6	145.8	137.1	-72.5	-15.9	0	0	0	124
1728	P	43.3	Very low	31.3	Very low	100 Å²	100	133.4 Å²	133.4	65%	0.649	74%	0.744	S	S	*	*			trans	-140	-169.9	-153.3	42.2	-20.2	0	0	0	116
1729	T	29.3	Very low	31	Very low	133 Å²	133	136 Å²	136	82%	0.816	75%	0.747	S	S	*	*			trans	64.3	147.3	161	53.2	0	0	0	0	118.8
1730	A	28.1	Very low	31.2	Very low	85 Å²	85	135.9 Å²	135.9	70%	0.702	75%	0.748	S	S	*	*			cis	-165.3	169.5	-17	0	0	0	0	0	111.2
1731	Q	28.2	Very low	30.7	Very low	171 Å²	171	137.7 Å²	137.7	80%	0.799	75%	0.745	S	S	*	*			trans	79.3	144.5	164.9	-59.1	-168	-8.4	0	0	121.2
1732	N	28.7	Very low	30.5	Very low	126 Å²	126	138.7 Å²	138.7	67%	0.674	74%	0.739	S	S	*	*			trans	91.6	134.7	147.6	-66.5	-25.9	0	0	0	123.4
1733	H	32.1	Very low	30.1	Very low	151 Å²	151	138.6 Å²	138.6	70%	0.699	73%	0.734	S	S	*	*			trans	75.7	111.8	150.7	-69.4	-53.7	0	0	0	124
1734	H	30.3	Very low	30	Very low	145 Å²	145	141.2 Å²	141.2	67%	0.671	73%	0.734	S	S	*	*				83.6	139.2	123.5	-82.7	-58.5	0	0	0	124.4
1735	H	32.1	Very low	29.6	Very low	134 Å²	134	139.7 Å²	139.7	62%	0.62	72%	0.721	S	S	*	*			trans	55.3	111.7	150.7	-70.5	-66.6	0	0	0	118.9
1736	Q	26.6	Very low	29.6	Very low	139 Å²	139	138.8 Å²	138.8	65%	0.65	71%	0.712	S	S	*	*				76.7	135.8	70.6	-82.8	-167.9	-8.2	0	0	114.9
1737	K	29.7	Very low	29.5	Very low	168 Å²	168	141.4 Å²	141.4	73%	0.73	71%	0.714	S	S	*	*			trans	72.7	146.4	168.6	-60.7	156.2	-173.7	171.4	0	112.7
1738	Q	30.3	Very low	29.5	Very low	178 Å²	178	140 Å²	140	83%	0.832	71%	0.707	S	S	*	*			cis	-152.9	-178.1	5.9	-130.1	155	7	0	0	111.1
1739	Q	25.8	Very low	29.3	Very low	178 Å²	178	146.5 Å²	146.5	83%	0.832	72%	0.718	S	S	*	*			trans	-69.2	174.9	160.7	-65.6	-173.1	-5.8	0	0	110
1740	P	35.6	Very low	29.3	Very low	120 Å²	120	145.4 Å²	145.4	78%	0.779	71%	0.712	S	S	*	*			cis	-148.6	-154.2	21.9	44.7	-21.6	0	0	0	116.4
1741	K	25.5	Very low	29.5	Very low	172 Å²	172	150.7 Å²	150.7	75%	0.748	72%	0.719	S	S	*	*			trans	-64.5	172.9	168.7	-48.5	170.1	-178.3	178.3	0	113.2
1742	H	27.6	Very low	29.5	Very low	164 Å²	164	147.1 Å²	147.1	76%	0.759	71%	0.713	S	S	*	*			trans	70.1	120.6	164.2	-65.2	-68.1	0	0	0	114.7
1743	S	25.1	Very low	29.9	Very low	80 Å²	80	148 Å²	148	56%	0.559	72%	0.716	S	S	*	*				80.3	140.6	50.9	78.6	0	0	0	0	113.8
1744	H	28.8	Very low	29.8	Very low	160 Å²	160	147.6 Å²	147.6	74%	0.741	72%	0.719	S	S	*	*			trans	77.2	148.6	-176.3	-59.3	-49.9	0	0	0	114.7
1745	Q	26.3	Very low	29.9	Very low	135 Å²	135	145.3 Å²	145.3	63%	0.631	72%	0.719	S	S	*	*			cis	-168.1	-173.9	-5.6	-122.8	167.3	-22.5	0	0	113
1746	H	28.7	Very low	29.7	Very low	133 Å²	133	145.6 Å²	145.6	62%	0.616	73%	0.725	S	S	*	*			trans	77.7	117.6	159.3	-67.2	-65.1	0	0	0	117.1
1747	Q	29.1	Very low	29.8	Very low	146 Å²	146	146 Å²	146	68%	0.682	73%	0.732	S	S	*	*				79.3	146.7	59.3	-74.8	-175.5	-2	0	0	112.7
1748	N	27.6	Very low	29.9	Very low	123 Å²	123	145.4 Å²	145.4	66%	0.658	74%	0.737	S	S	*	*			cis	-160.3	152.4	3.8	-113.3	-17.5	0	0	0	110.2
1749	R	39	Very low	30.6	Very low	235 Å²	235	148.1 Å²	148.1	89%	0.887	74%	0.741	S	S	*	*			trans	170.6	111.9	153.4	-97.6	163.7	-174	-147.3	1.5	108.5
1750	T	31.1	Very low	31	Very low	110 Å²	110	145.2 Å²	145.2	68%	0.675	74%	0.74	S	S	*	*				87.9	123.2	54.8	62.7	0	0	0	0	115.4
1751	K	32.2	Very low	31	Very low	197 Å²	197	147.4 Å²	147.4	86%	0.857	75%	0.746	S	S	*	*			trans	70.4	146.9	157.3	-64.8	177.4	-179.5	-174.8	0	117.1
1752	S	27	Very low	31.3	Very low	96 Å²	96	147 Å²	147	67%	0.671	75%	0.747	S	S	*	*			cis	-176.9	157.5	-13.8	47.9	0	0	0	0	110.7
1753	I	36.4	Very low	31.7	Very low	144 Å²	144	147.2 Å²	147.2	74%	0.738	75%	0.753	S	S	*	*			trans	141.3	110.5	146.4	-74.9	156.8	0	0	0	110.9
1754	N	31.3	Very low	32.4	Very low	143 Å²	143	149.3 Å²	149.3	77%	0.765	76%	0.758	S	S	*	*			trans	50.2	148.2	150.2	-52.1	11.3	0	0	0	120.1
1755	S	32	Very low	32.9	Very low	96 Å²	96	147.8 Å²	147.8	67%	0.671	76%	0.76	S	S	*	*			cis	178.8	151.4	-15.6	49.7	0	0	0	0	108.8
1756	D	28.4	Very low	32.9	Very low	141 Å²	141	146.5 Å²	146.5	75%	0.754	77%	0.765	S	S	*	*			cis	-171.1	-179.9	-19.4	-91.2	-45.5	0	0	0	108.4
1757	N	27.9	Very low	32.8	Very low	148 Å²	148	146 Å²	146	79%	0.791	77%	0.772	S	S	*	*			trans	79.2	129.6	167.7	-65.9	-18.6	0	0	0	121.9
1758	N	32.9	Very low	32.6	Very low	155 Å²	155	147 Å²	147	83%	0.829	78%	0.779	S	S	*	*			trans	59	61.2	152	-64.1	5	0	0	0	119.8
1759	Y	44.7	Very low	32.6	Very low	234 Å²	234	147 Å²	147	92%	0.918	78%	0.778	S	S	*	*			trans	-141.6	135	153.8	-107.3	-104.8	0	0	0	107.2
1760	S	33	Very low	32.2	Very low	117 Å²	117	142.1 Å²	142.1	82%	0.818	77%	0.77	S	S	*	*			trans	-156.8	146.8	179.4	50.9	0	0	0	0	116.1
1761	N	37.1	Very low	32.1	Very low	166 Å²	166	142.8 Å²	142.8	89%	0.888	77%	0.77	S	S	*	*			trans	-121.9	176.6	163.1	-74.3	-53.5	0	0	0	107.6
1762	Q	31.5	Very low	32.1	Very low	165 Å²	165	141.5 Å²	141.5	77%	0.771	77%	0.767	S	S	*	*			trans	-136.4	142.9	171.4	-77	-165.4	-5.5	0	0	114.4
1763	D	36.2	Very low	32.2	Very low	168 Å²	168	142.2 Å²	142.2	90%	0.898	77%	0.767	S	S	*	*			trans	-145.9	149	148.7	-117.1	-33.9	0	0	0	106.7
1764	N	39.7	Very low	31.7	Very low	123 Å²	123	143.8 Å²	143.8	66%	0.658	77%	0.769	S	S	*	*			trans	-110.8	169.3	-162	-82.1	-63.9	0	0	0	112.8
1765	V	37.8	Very low	31.6	Very low	129 Å²	129	144.4 Å²	144.4	78%	0.782	77%	0.765	S	S	*	*			cis	-156.9	155.5	49.5	168.5	0	0	0	0	112.2
1766	S	27.5	Very low	31.4	Very low	107 Å²	107	145.8 Å²	145.8	75%	0.748	77%	0.765	S	S	*	*	S	Bend	trans	79	119.9	174.7	77.1	0	0	0	0	115
1767	T	25.9	Very low	31.4	Very low	122 Å²	122	145.3 Å²	145.3	75%	0.748	76%	0.762	S	S	*	*	S	Bend	cis	-141.9	132.7	2.1	51.1	0	0	0	0	112.4
1768	M	25.1	Very low	31.5	Very low	168 Å²	168	144.6 Å²	144.6	83%	0.828	75%	0.754	S	S	*	*			trans	61.9	151.6	160.2	-59.7	175	151	0	0	117.8
1769	D	28.2	Very low	31.4	Very low	122 Å²	122	143.5 Å²	143.5	65%	0.652	75%	0.748	S	S	*	*			cis	-168	145.6	-30.7	-96.6	-18.2	0	0	0	105.3
1770	N	30.5	Very low	30.9	Very low	133 Å²	133	140.2 Å²	140.2	71%	0.711	75%	0.745	S	S	*	*			trans	64.9	162.1	157.6	-66	32.7	0	0	0	117.4
1771	D	28.5	Very low	30.9	Very low	124 Å²	124	141.8 Å²	141.8	66%	0.663	74%	0.737	S	S	*	*			cis	-158.8	178.9	-13.3	-112	-29.9	0	0	0	109.9
1772	E	31.6	Very low	30.6	Very low	171 Å²	171	137.9 Å²	137.9	80%	0.799	72%	0.723	S	S	*	*			trans	61.3	110.7	154.2	-76.5	-178.5	-173	0	0	120
1773	T	29.4	Very low	30.6	Very low	111 Å²	111	135.7 Å²	135.7	68%	0.681	72%	0.716	S	S	*	*				80.1	128.8	77.4	58.7	0	0	0	0	119.2
1774	F	27.5	Very low	30.4	Very low	177 Å²	177	135.6 Å²	135.6	78%	0.776	72%	0.715	S	S	*	*			trans	81.5	124.1	144	-87.2	-129.2	0	0	0	123.3
1775	F	29.2	Very low	30	Very low	156 Å²	156	133.1 Å²	133.1	68%	0.684	72%	0.718	S	S	*	*			trans	75.3	115.7	137.1	-87.2	-115.9	0	0	0	124.4
1776	N	27.1	Very low	29.8	Very low	124 Å²	124	133.2 Å²	133.2	66%	0.663	73%	0.725	S	S	*	*				35	130	126.2	-54.8	2.7	0	0	0	122.3
1777	N	28.6	Very low	30	Very low	131 Å²	131	135.4 Å²	135.4	70%	0.701	73%	0.726	S	S	*	*				168.6	155.9	118.2	-98.1	27	0	0	0	111.5
1778	E	29.9	Very low	30.1	Very low	133 Å²	133	132.9 Å²	132.9	62%	0.621	71%	0.708	S	S	*	*			cis	-168.4	149	-20.7	-134.1	-178.7	-127.3	0	0	110
1779	N	29.7	Very low	30.2	Very low	132 Å²	132	136.9 Å²	136.9	71%	0.706	71%	0.714	S	S	*	*			trans	59.4	171.9	163.4	-44.8	-44.7	0	0	0	116.3
1780	I	34.5	Very low	30.2	Very low	166 Å²	166	136.3 Å²	136.3	85%	0.851	72%	0.72	S	S	*	*			cis	-146	142	8.9	-58.3	169	0	0	0	105.4
1781	K	33.1	Very low	30.1	Very low	150 Å²	150	134.8 Å²	134.8	65%	0.652	72%	0.719	S	S	*	*			cis	-160.3	154.3	-14.7	176.9	-143.9	163.2	-109.4	0	106.2	D1783	K1781-D1783 IonicContact NZ-OD2 2.7Å; K1781-D1783 PolarHBondContact NZ-OD2 3.4Å
1782	S	32.1	Very low	30.1	Very low	83 Å²	83	133.8 Å²	133.8	58%	0.58	71%	0.713	S	S	*	*			trans	74.5	146.9	150	45.5	0	0	0	0	122.6
1783	D	30.1	Very low	30	Very low	120 Å²	120	134.9 Å²	134.9	64%	0.642	72%	0.716	S	S	*	*			cis	-156.6	152.6	-13.6	-101.1	-30.5	0	0	0	109.8	K1781	K1781-D1783 IonicContact NZ-OD2 2.7Å; K1781-D1783 PolarHBondContact NZ-OD2 3.4Å
1784	L	32.4	Very low	29.9	Very low	166 Å²	166	132.7 Å²	132.7	87%	0.869	72%	0.715	S	S	*	*			trans	60.3	132.3	163.6	-62.1	166.2	0	0	0	119.2
1785	G	32.4	Very low	30.1	Very low	70 Å²	70	130.9 Å²	130.9	72%	0.722	72%	0.719	S	S	*	*			trans	137.4	41.9	164	0	0	0	0	0	117.5	I1787	G1785-I1787 PolarHBondContact O-N 3.34Å
1786	S	32	Very low	30.1	Very low	131 Å²	131	128.5 Å²	128.5	92%	0.916	72%	0.719	S	S	*	*			trans	-60.6	132.8	-175	-54.2	0	0	0	0	114.7
1787	I	32.2	Very low	30	Very low	153 Å²	153	133.4 Å²	133.4	79%	0.785	73%	0.728	S	S	*	*			trans	-91.5	162.6	168.6	-70.4	174.2	0	0	0	110.1	G1785	G1785-I1787 PolarHBondContact O-N 3.34Å
1788	D	27.6	Very low	29.8	Very low	70 Å²	70	132.5 Å²	132.5	37%	0.374	73%	0.728	S	S	.	*			trans	67.1	84.6	168.3	-89.8	-52.6	0	0	0	118.9	S1791 L1792	D1788-S1791 PolarHBondContact OD1-N 3.04Å; D1788-S1791 VanDerWaalsContact OD1-N 3.07Å; D1788-S1791 PolarHBondContact OD1-OG 3.13Å; D1788-L1792 HydrophobicContact CB-CD1 4.08Å; D1788-L1792 HydrophobicContact CB-CG 4.48Å
1789	R	27.3	Very low	29.6	Very low	252 Å²	252	133.5 Å²	133.5	95%	0.951	74%	0.737	S	S	*	*	S	Bend		-131.1	134.2	104.3	-68.9	-169.3	177.1	169.7	-0.8	108.9
1790	S	27.9	Very low	29.5	Very low	109 Å²	109	131.6 Å²	131.6	76%	0.762	74%	0.735	S	S	*	*	S	Bend	cis	-140.6	96.4	12	52.4	0	0	0	0	114
1791	S	30.2	Very low	29.2	Very low	101 Å²	101	131.1 Å²	131.1	71%	0.706	73%	0.733	S	S	*	*	S	Bend	trans	-121.8	33.4	151.5	26.4	0	0	0	0	112.5	D1788	D1788-S1791 PolarHBondContact OD1-N 3.04Å; D1788-S1791 VanDerWaalsContact OD1-N 3.07Å; D1788-S1791 PolarHBondContact OD1-OG 3.13Å
1792	L	27	Very low	29.1	Very low	103 Å²	103	128.5 Å²	128.5	54%	0.539	73%	0.734	S	S	.	*			trans	-130.2	134	171.3	-66.2	175.4	0	0	0	108.4	D1788	D1788-L1792 HydrophobicContact CB-CD1 4.08Å; D1788-L1792 HydrophobicContact CB-CG 4.48Å
1793	F	29.3	Very low	29.2	Very low	195 Å²	195	131.4 Å²	131.4	86%	0.855	75%	0.748	S	S	*	*	S	Bend	cis	-135.5	150.5	5.2	-109.9	-75.6	0	0	0	111.6
1794	G	28.3	Very low	29.4	Very low	64 Å²	64	129.1 Å²	129.1	66%	0.66	75%	0.753	S	S	*	*	S	Bend	trans	104.4	118.5	169.3	0	0	0	0	0	114.2
1795	T	31.2	Very low	29.2	Very low	139 Å²	139	127.4 Å²	127.4	85%	0.853	75%	0.754	S	S	*	*			cis	-153.1	147.1	-10.6	1.5	0	0	0	0	108.1
1796	P	28.5	Very low	29	Very low	107 Å²	107	128.5 Å²	128.5	70%	0.695	75%	0.751	S	S	*	*			trans	-85.9	161.7	176.8	36.3	-35.2	0	0	0	112.3
1797	R	25.5	Very low	28.9	Very low	227 Å²	227	132.1 Å²	132.1	86%	0.857	75%	0.746	S	S	*	*			trans	60.3	136.1	143.6	-76.5	-179.6	178.9	-177.6	-0.1	120.5
1798	T	24.8	Very low	28.7	Very low	112 Å²	112	131 Å²	131	69%	0.687	74%	0.737	S	S	*	*			trans	33.8	125.5	138.9	63.4	0	0	0	0	118.4
1799	D	26.2	Very low	28.7	Very low	153 Å²	153	136.4 Å²	136.4	82%	0.818	75%	0.752	S	S	*	*				-150.8	167	59.2	-111.3	-49.1	0	0	0	117
1800	S	26.5	Very low	28.7	Very low	93 Å²	93	128.7 Å²	128.7	65%	0.65	73%	0.733	S	S	*	*			trans	-85.6	146.6	-174.5	66.1	0	0	0	0	114.1
1801	N	28.7	Very low	28.7	Very low	155 Å²	155	128.6 Å²	128.6	83%	0.829	72%	0.719	S	S	*	*				-166.9	165.2	129	-113	-56.5	0	0	0	116.4
1802	S	31.9	Very low	28.6	Very low	95 Å²	95	130.5 Å²	130.5	66%	0.664	72%	0.722	S	S	*	*			trans	68.1	99.6	165.9	61.2	0	0	0	0	120.1
1803	T	33.2	Very low	29.1	Very low	144 Å²	144	130.3 Å²	130.3	88%	0.883	73%	0.726	S	S	*	*				49.2	126.2	127.3	59.6	0	0	0	0	121
1804	G	34.4	Very low	29	Very low	72 Å²	72	126.3 Å²	126.3	74%	0.742	71%	0.711	S	S	*	*			trans	173	1.6	161.2	0	0	0	0	0	123.8
1805	C	28.6	Very low	29.1	Very low	130 Å²	130	128.2 Å²	128.2	88%	0.878	70%	0.704	S	S	*	*			trans	59.2	152.2	168.7	-68.4	0	0	0	0	119.8
1806	S	27.8	Very low	28.9	Very low	94 Å²	94	124.7 Å²	124.7	66%	0.657	68%	0.68	S	S	*	*			cis	-177	126.7	-29.8	-105.2	0	0	0	0	110.3
1807	Y	30.1	Very low	29	Very low	207 Å²	207	124.7 Å²	124.7	81%	0.812	67%	0.667	S	S	*	*			trans	59	139.7	167.3	-64.6	-89	0	0	0	118.3
1808	E	27.4	Very low	29.2	Very low	129 Å²	129	120.9 Å²	120.9	60%	0.603	66%	0.657	S	S	*	*			cis	90.9	134	22.8	-75.9	-147.9	134.7	0	0	119
1809	R	28.4	Very low	29.4	Very low	183 Å²	183	121 Å²	121	69%	0.691	65%	0.654	S	S	*	*			trans	72.8	104	147.2	-73.4	176.2	-145.8	-113.3	-9.7	122.2
1810	T	27.1	Very low	29.7	Very low	91 Å²	91	119.2 Å²	119.2	56%	0.558	64%	0.644	S	S	*	*				42.9	120.7	122.9	52.2	0	0	0	0	121.9
1811	F	28.1	Very low	29.9	Very low	106 Å²	106	120.7 Å²	120.7	47%	0.465	64%	0.644	S	S	.	*			trans	70.1	84	141.6	-89.5	-102.9	0	0	0	121.3	T148 N149	T148-F1811 WeakPolarHBondContact O-CD2 3.37Å; T148-F1811 WeakPolarHBondContact O-CG 3.15Å; N149-F1811 HydrophobicContact CB-CD1 4.07Å; N149-F1811 HydrophobicContact CB-CD2 4.36Å; N149-F1811 HydrophobicContact CB-CE1 3.62Å; N149-F1811 HydrophobicContact CB-CE2 3.97Å; N149-F1811 HydrophobicContact CB-CG 4.44Å; N149-F1811 HydrophobicContact CB-CZ 3.59Å
1812	N	27.1	Very low	30	Very low	142 Å²	142	120.2 Å²	120.2	76%	0.759	64%	0.641	S	S	*	*				47.7	137	114.4	-135.6	18.8	0	0	0	119.9
1813	P	37.8	Very low	30	Very low	98 Å²	98	122 Å²	122	64%	0.636	64%	0.642	S	S	*	*			cis	-137.6	-176.5	1.1	45.9	-29.4	0	0	0	116.1
1814	Q	27	Very low	29.9	Very low	112 Å²	112	122.9 Å²	122.9	52%	0.523	64%	0.635	S	S	.	*			trans	81.7	128.6	151.4	-74	-64.5	-82.2	0	0	122.8	T565 L566	T565-Q1814 PolarHBondContact O-OE1 3.36Å; L566-Q1814 PolarHBondContact O-NE2 3.1Å; L566-Q1814 PolarHBondContact O-OE1 3.32Å
1815	I	30.6	Very low	29.7	Very low	103 Å²	103	123.8 Å²	123.8	53%	0.528	63%	0.63	S	S	.	*			trans	86.1	92	142.8	-63.8	163.8	0	0	0	120.3	L566	L566-I1815 HydrophobicContact CB-CD1 4.01Å; L566-I1815 HydrophobicContact CB-CG1 3.64Å; L566-I1815 HydrophobicContact CD1-CD1 3.79Å; L566-I1815 HydrophobicContact CD1-CG1 4.1Å
1816	N	28.1	Very low	29.7	Very low	65 Å²	65	122 Å²	122	35%	0.348	62%	0.619	S	S	.	*				66.5	128.5	123.7	-71.1	-16.6	0	0	0	124.3	L568	L568-N1816 PolarHBondContact N-OD1 2.79Å
1817	Y	30.3	Very low	29.6	Very low	107 Å²	107	122.8 Å²	122.8	42%	0.42	62%	0.624	S	S	.	*			trans	73.1	143.6	148.1	-66.4	-50.8	0	0	0	120	L568 P569 T570	L568-Y1817 WeakPolarHBondContact CA-OH 3.19Å; L568-Y1817 HydrophobicContact CB-CE2 4.05Å; L568-Y1817 WeakPolarHBondContact CB-OH 3.25Å; L568-Y1817 PolarHBondContact O-OH 2.67Å; P569-Y1817 VanDerWaalsContact CA-OH 3.3Å; P569-Y1817 WeakPolarHBondContact CA-OH 3.49Å; T570-Y1817 HydrophobicContact CG2-CE2 4.09Å; T570-Y1817 PolarHBondContact OG1-OH 3.24Å
1818	K	29.9	Very low	29.6	Very low	148 Å²	148	118.9 Å²	118.9	64%	0.643	62%	0.621	S	S	*	*			cis	-153.7	141.3	17.7	-144.2	168.4	-175.7	-178.2	0	112.6
1819	N	29.1	Very low	29.4	Very low	115 Å²	115	118.3 Å²	118.3	62%	0.615	63%	0.631	S	S	*	*			trans	54.9	158.3	146.5	-77.3	49.6	0	0	0	119.7
1820	D	32	Very low	29.5	Very low	114 Å²	114	116.2 Å²	116.2	61%	0.61	63%	0.632	S	S	*	*			cis	-149.3	154	18.8	-112.3	-31	0	0	0	111.8
1821	N	30.2	Very low	29.6	Very low	125 Å²	125	118.7 Å²	118.7	67%	0.668	64%	0.637	S	S	*	*			trans	51.4	151.2	139.1	-60.6	-31.6	0	0	0	122.8
1822	L	30.6	Very low	29.9	Very low	144 Å²	144	120.7 Å²	120.7	75%	0.754	65%	0.645	S	S	*	*			cis	-171	-160.5	-25.6	-152.3	112.4	0	0	0	106.9
1823	I	32.7	Very low	30	Very low	133 Å²	133	124 Å²	124	68%	0.682	65%	0.647	S	S	*	*			trans	77.9	111.2	154.6	-71.9	162.8	0	0	0	118.9
1824	H	30.7	Very low	29.8	Very low	162 Å²	162	126.2 Å²	126.2	75%	0.75	65%	0.649	S	S	*	*			trans	63.9	126.1	144.4	-74.8	-103.4	0	0	0	120.3
1825	S	30.7	Very low	30.2	Very low	91 Å²	91	128.4 Å²	128.4	64%	0.636	66%	0.657	S	S	*	*				68.7	142	65.3	98.1	0	0	0	0	113.7
1826	S	27.2	Very low	30.3	Very low	92 Å²	92	133 Å²	133	64%	0.643	67%	0.667	S	S	*	*			cis	173	164	-9.4	48.7	0	0	0	0	108.9
1827	C	27.2	Very low	30.5	Very low	111 Å²	111	135.9 Å²	135.9	75%	0.75	68%	0.683	S	S	*	*			trans	71.8	159.9	154.9	-67.9	0	0	0	0	120.6
1828	T	28.9	Very low	30.6	Very low	125 Å²	125	137.4 Å²	137.4	77%	0.767	70%	0.698	S	S	*	*			trans	50.2	108.6	158.6	46.4	0	0	0	0	117.5
1829	C	24.3	Very low	30.7	Very low	118 Å²	118	134.5 Å²	134.5	80%	0.797	70%	0.697	S	S	*	*			cis	54.7	99.9	32.3	-162.3	0	0	0	0	114.2
1830	I	29	Very low	30.9	Very low	138 Å²	138	138.4 Å²	138.4	71%	0.708	71%	0.711	S	S	*	*			trans	-176.4	115.4	139.9	-100.2	158.6	0	0	0	111.1
1831	Q	30.3	Very low	30.6	Very low	144 Å²	144	137.9 Å²	137.9	67%	0.673	72%	0.717	S	S	*	*			trans	60.4	163.5	146.5	-55.2	178	5.6	0	0	118.4
1832	K	33.3	Very low	30.6	Very low	147 Å²	147	138.2 Å²	138.2	64%	0.639	72%	0.723	S	S	*	*			cis	-158.8	135	22.7	-140.8	138.4	-175.6	154.6	0	111.1
1833	R	30.8	Very low	30.5	Very low	211 Å²	211	137 Å²	137	80%	0.796	73%	0.725	S	S	*	*			trans	68.7	147	161	-58.9	166.6	177.2	172.3	-3.1	115.1
1834	Q	33.2	Very low	30.2	Very low	146 Å²	146	135.8 Å²	135.8	68%	0.682	73%	0.729	S	S	*	*			cis	-162.5	151	-6.8	-114.9	178	42.4	0	0	106.5
1835	K	34.9	Very low	30	Very low	157 Å²	157	135.6 Å²	135.6	68%	0.683	72%	0.723	S	S	*	*			cis	-149.3	147.4	15.6	-98.8	168.2	-172.2	165.6	0	110.2
1836	R	31.9	Very low	29.8	Very low	199 Å²	199	137 Å²	137	75%	0.751	72%	0.719	S	S	*	*			trans	61.9	117.9	141	-62.7	-163.6	169.3	150.3	-0.6	119.9
1837	D	32.7	Very low	29.9	Very low	127 Å²	127	137.4 Å²	137.4	68%	0.679	71%	0.706	S	S	*	*				84.9	139.4	84.6	-54.8	-17.6	0	0	0	110.4
1838	N	32.7	Very low	29.9	Very low	138 Å²	138	137.2 Å²	137.2	74%	0.738	69%	0.694	S	S	*	*			cis	-156.2	127.1	1.9	-119.7	-10.4	0	0	0	107.2
1839	S	31.7	Very low	29.9	Very low	87 Å²	87	139.6 Å²	139.6	61%	0.608	69%	0.69	S	S	*	*				92.2	132.5	87.9	76.6	0	0	0	0	116.4
1840	Q	33.5	Very low	30	Very low	198 Å²	198	138.7 Å²	138.7	93%	0.925	67%	0.674	S	S	*	*			trans	76.1	158.2	157.5	-65.2	-179.1	-4.8	0	0	119.7
1841	S	25.8	Very low	29.9	Very low	103 Å²	103	134.8 Å²	134.8	72%	0.72	66%	0.655	S	S	*	*			trans	-130.8	176.9	-165.4	57.9	0	0	0	0	111.6
1842	T	30.7	Very low	29.9	Very low	131 Å²	131	132.4 Å²	132.4	80%	0.804	64%	0.644	S	S	*	*			trans	87.1	132.4	175.5	74	0	0	0	0	117.7
1843	C	27.6	Very low	29.6	Very low	118 Å²	118	129.3 Å²	129.3	80%	0.797	63%	0.634	S	S	*	*	S	Bend	trans	56.9	89	160.5	-69	0	0	0	0	120.6
1844	S	26.3	Very low	29.5	Very low	108 Å²	108	122.6 Å²	122.6	76%	0.755	62%	0.616	S	S	*	*			trans	99.4	121.5	130.5	-55.2	0	0	0	0	119.6
1845	Y	26.9	Very low	29.2	Very low	159 Å²	159	120.8 Å²	120.8	62%	0.624	61%	0.611	S	S	*	*			trans	65.5	91.6	148.5	-86.3	-120.9	0	0	0	117.8	N2079 N2080	Y1845-N2079 CarbonylContact C-O 3.31Å; Y1845-N2079 VanDerWaalsContact CB-O 3.29Å; Y1845-N2079 WeakPolarHBondContact CB-O 3.32Å; Y1845-N2079 WeakPolarHBondContact CD1-O 3.36Å; Y1845-N2080 HydrophobicContact CD1-CB 3.67Å; Y1845-N2080 HydrophobicContact CE1-CB 3.8Å; Y1845-N2080 HydrophobicContact CG-CB 4.03Å
1846	H	27.6	Very low	29.1	Very low	121 Å²	121	116.6 Å²	116.6	56%	0.56	61%	0.612	S	S	*	*			trans	-156.2	162.5	159.3	-139.5	-108.5	0	0	0	116.9	H2078 N2079 N2080	H1846-H2078 AromaticContact CE1-CE1 3.97Å; H1846-H2078 AromaticContact CE1-ND1 3.29Å; H1846-H2078 PolarHBondContact CE1-ND1 3.34Å; H1846-H2078 VanDerWaalsContact CE1-ND1 3.29Å; H1846-H2078 AromaticContact NE2-CE1 3.99Å; H1846-H2078 AromaticContact NE2-CG 3.74Å; H1846-H2078 AromaticContact NE2-ND1 2.94Å; H1846-H2078 PolarHBondContact NE2-ND1 3.24Å; H1846-N2079 PolarHBondContact NE2-ND2 2.92Å; H1846-N2080 PolarHBondContact N-ND2 3.44Å; H1846-N2080 VanDerWaalsContact O-CG 3.28Å; H1846-N2080 PolarHBondContact O-ND2 2.73Å; H1846-N2080 PolarHBondContact O-OD1 3.13Å
1847	R	28.5	Very low	29	Very low	99 Å²	99	113.4 Å²	113.4	37%	0.374	61%	0.61	S	S	.	*			trans	-75.7	-175.6	-151.8	-139.5	171.3	-166.5	141.1	10.8	119.4	H2078 N2079	R1847-H2078 PolarHBondContact NH1-CD2 3.12Å; R1847-H2078 PolarHBondContact NH1-NE2 2.83Å; R1847-N2079 HydrophobicContact CB-CB 4.08Å; R1847-N2079 VanDerWaalsContact CB-CG 3.45Å; R1847-N2079 WeakPolarHBondContact CB-ND2 3.21Å; R1847-N2079 VanDerWaalsContact CD-CG 3.42Å; R1847-N2079 WeakPolarHBondContact CD-OD1 3.02Å; R1847-N2079 HydrophobicContact CG-CB 3.94Å; R1847-N2079 WeakPolarHBondContact CG-ND2 3.41Å; R1847-N2079 WeakPolarHBondContact CG-OD1 3.27Å; R1847-N2079 PolarHBondContact NE-OD1 2.76Å; R1847-N2079 PolarHBondContact NH1-OD1 2.65Å
1848	H	27.6	Very low	29	Very low	108 Å²	108	114.2 Å²	114.2	50%	0.5	61%	0.613	S	S	.	*			trans	-23.7	153.6	138.4	-40.4	-56	0	0	0	113.1
1849	Y	29	Very low	28.9	Very low	174 Å²	174	112.1 Å²	112.1	68%	0.682	61%	0.609	S	S	*	*				-132.2	161.4	58.4	-82.9	-101.8	0	0	0	111.1	T498 D1851	T498-Y1849 HydrophobicContact CG2-CE1 4.37Å; Y1849-D1851 HydrophobicContact CD1-CB 4.17Å
1850	H	25.8	Very low	28.7	Very low	99 Å²	99	112.1 Å²	112.1	46%	0.458	61%	0.609	S	S	.	*			cis	78.6	166.9	20.6	-121.9	-9.2	0	0	0	115.2	S497 T498	S497-H1850 WeakPolarHBondContact CB-ND1 3.38Å; T498-H1850 WeakPolarHBondContact CA-NE2 3.33Å; T498-H1850 PolarHBondContact N-CE1 2.66Å; T498-H1850 PolarHBondContact N-NE2 3.4Å
1851	D	27.3	Very low	28.6	Very low	57 Å²	57	110.9 Å²	110.9	31%	0.305	60%	0.603	S	S	.	*			trans	74.9	150.5	162.1	-71.2	49.3	0	0	0	119.4	S497 T498 Y1849	S497-D1851 VanDerWaalsContact CB-OD1 3.28Å; S497-D1851 WeakPolarHBondContact CB-OD1 3.41Å; S497-D1851 VanDerWaalsContact OG-CG 3.29Å; S497-D1851 PolarHBondContact OG-OD1 2.96Å; S497-D1851 VanDerWaalsContact OG-OD1 3.05Å; T498-D1851 WeakPolarHBondContact CG2-OD1 3.24Å; T498-D1851 VanDerWaalsContact OG1-CG 3.31Å; T498-D1851 PolarHBondContact OG1-OD1 2.94Å; T498-D1851 PolarHBondContact OG1-OD2 3.22Å; Y1849-D1851 HydrophobicContact CD1-CB 4.17Å
1852	Q	30.3	Very low	28.6	Very low	93 Å²	93	114.2 Å²	114.2	44%	0.435	61%	0.612	S	S	.	*			cis	-158.6	138.9	-7.6	-93.3	-104.9	-7.6	0	0	116.4	Y495 T496	Y495-Q1852 WeakPolarHBondContact CB-O 3.27Å; T496-Q1852 HydrophobicContact CG2-CB 4.15Å; T496-Q1852 VanDerWaalsContact CG2-CD 3.49Å; T496-Q1852 HydrophobicContact CG2-CG 3.92Å
1853	L	27.4	Very low	28.5	Very low	83 Å²	83	113.8 Å²	113.8	44%	0.435	61%	0.605	S	S	.	*			trans	73.2	153.3	146.3	-95.9	-172	0	0	0	127.4	Y495 T496	Y495-L1853 WeakPolarHBondContact CB-O 3.13Å; Y495-L1853 PolarHBondContact N-O 2.77Å; T496-L1853 HydrophobicContact CG2-CB 4.11Å; T496-L1853 HydrophobicContact CG2-CD2 4.03Å; T496-L1853 HydrophobicContact CG2-CG 3.71Å; T496-L1853 WeakPolarHBondContact OG1-CA 3.34Å; T496-L1853 WeakPolarHBondContact OG1-CD2 3.33Å; T496-L1853 PolarHBondContact OG1-N 2.8Å; T496-L1853 VanDerWaalsContact OG1-N 3.17Å
1854	V	27.6	Very low	28.5	Very low	69 Å²	69	112.7 Å²	112.7	42%	0.418	60%	0.599	S	S	.	*			trans	75.1	138.9	140.4	156.5	0	0	0	0	118.8	S493 G494	S493-V1854 CarbonylContact C-O 3.38Å; S493-V1854 VanDerWaalsContact CB-O 3.29Å; S493-V1854 WeakPolarHBondContact CB-O 3.18Å; S493-V1854 PolarHBondContact OG-O 2.98Å; G494-V1854 VanDerWaalsContact CA-O 3.28Å; G494-V1854 WeakPolarHBondContact CA-O 3.22Å; G494-V1854 PolarHBondContact N-O 2.68Å; G494-V1854 VanDerWaalsContact N-O 3.11Å
1855	D	27.7	Very low	28.6	Very low	109 Å²	109	115.5 Å²	115.5	58%	0.583	60%	0.6	S	S	*	*			cis	-156.1	173	-17.6	-98.7	-18.9	0	0	0	108.2	S493	S493-D1855 PolarHBondContact OG-N 3.02Å; S493-D1855 PolarHBondContact OG-O 2.73Å; S493-D1855 VanDerWaalsContact OG-O 3.07Å
1856	G	31.9	Very low	28.8	Very low	68 Å²	68	114.8 Å²	114.8	70%	0.701	60%	0.602	S	S	*	*			cis	-166.4	-150.5	5	0	0	0	0	0	110.1
1857	N	30.4	Very low	28.8	Very low	133 Å²	133	116.2 Å²	116.2	71%	0.711	61%	0.613	S	S	*	*			cis	-170.2	154	7.1	-148	-3.5	0	0	0	110.9
1858	I	31.9	Very low	28.8	Very low	144 Å²	144	116.5 Å²	116.5	74%	0.738	63%	0.63	S	S	*	*			trans	65	140.5	155.9	-65.9	157.8	0	0	0	117.2
1859	S	30.6	Very low	29	Very low	93 Å²	93	115.3 Å²	115.3	65%	0.65	64%	0.639	S	S	*	*			cis	-156.1	139.9	-8.7	-124.1	0	0	0	0	108.5
1860	S	28.9	Very low	29.1	Very low	87 Å²	87	113.4 Å²	113.4	61%	0.608	65%	0.645	S	S	*	*				68.2	133.3	88.8	85.5	0	0	0	0	118.5
1861	Q	30.4	Very low	29.4	Very low	172 Å²	172	113.6 Å²	113.6	80%	0.804	66%	0.658	S	S	*	*			trans	75.2	128.2	165.4	-63.7	176.2	-87.9	0	0	118.9
1862	L	27	Very low	29.7	Very low	174 Å²	174	115.3 Å²	115.3	91%	0.911	68%	0.675	S	S	*	*			trans	-119.4	101.2	158.6	-99.4	170.2	0	0	0	107.2
1863	D	27.4	Very low	29.9	Very low	121 Å²	121	119.8 Å²	119.8	65%	0.647	70%	0.696	S	S	*	*			trans	-100.4	129.2	150	-97	-61.3	0	0	0	105.5
1864	S	29	Very low	30.2	Very low	96 Å²	96	119.8 Å²	119.8	67%	0.671	70%	0.699	S	S	*	*				73.7	118.9	84.7	-54.6	0	0	0	0	112.3
1865	E	28.5	Very low	30.3	Very low	167 Å²	167	119.5 Å²	119.5	78%	0.78	70%	0.7	S	S	*	*			trans	87	118.5	170.5	-56.7	-132.6	153.2	0	0	120.9
1866	Q	29.3	Very low	30.5	Very low	144 Å²	144	117.6 Å²	117.6	67%	0.673	70%	0.695	S	S	*	*			trans	77	111.1	143	-64	-177.1	57.5	0	0	122.9
1867	L	29.3	Very low	30.4	Very low	151 Å²	151	116.5 Å²	116.5	79%	0.791	68%	0.684	S	S	*	*				59.2	141.1	125.4	-56.4	169.5	0	0	0	120.5
1868	S	28.3	Very low	30.5	Very low	105 Å²	105	117.7 Å²	117.7	73%	0.734	69%	0.69	S	S	*	*			cis	-170.6	170.4	-14.7	56.9	0	0	0	0	110.9
1869	A	31.2	Very low	30.4	Very low	82 Å²	82	114.4 Å²	114.4	68%	0.678	69%	0.691	S	S	*	*			trans	79.3	121.4	162	0	0	0	0	0	121.2
1870	T	31	Very low	30.4	Very low	134 Å²	134	114.9 Å²	114.9	82%	0.822	69%	0.694	S	S	*	*			trans	53	142.7	135	57.1	0	0	0	0	122.6
1871	S	33.2	Very low	30.5	Very low	104 Å²	104	119.2 Å²	119.2	73%	0.727	71%	0.707	S	S	*	*			cis	-174.7	-166	-13.2	61.2	0	0	0	0	107.7
1872	S	33.2	Very low	30.5	Very low	93 Å²	93	116.3 Å²	116.3	65%	0.65	70%	0.701	S	S	*	*			cis	-167.7	136.9	-2	19	0	0	0	0	110.5
1873	Q	35	Very low	30.7	Very low	187 Å²	187	112.3 Å²	112.3	87%	0.874	69%	0.688	S	S	*	*			trans	65	150.7	157	-63.4	-169.1	11.3	0	0	118.8
1874	V	32.2	Very low	30.8	Very low	82 Å²	82	112.5 Å²	112.5	50%	0.497	70%	0.699	S	S	.	*			cis	-144.6	136.5	-1.3	111.9	0	0	0	0	108.4	S2096	V1874-S2096 PolarHBondContact O-N 3.23Å
1875	S	30.8	Very low	30.8	Very low	63 Å²	63	116 Å²	116	44%	0.441	71%	0.71	S	S	.	*			cis	-158.3	-65.9	-7.2	156.6	0	0	0	0	111.7	T2095 S2096	S1875-T2095 PolarHBondContact N-O 3.02Å; S1875-S2096 WeakPolarHBondContact CA-OG 3.19Å; S1875-S2096 PolarHBondContact N-OG 3.41Å
1876	S	30.4	Very low	30.7	Very low	69 Å²	69	112.4 Å²	112.4	48%	0.483	71%	0.709	S	S	.	*			trans	-163.1	156	-160.7	48.8	0	0	0	0	115	S2096	S1876-S2096 PolarHBondContact N-OG 2.89Å; S1876-S2096 WeakPolarHBondContact O-CB 3.44Å; S1876-S2096 PolarHBondContact O-OG 2.78Å
1877	G	30	Very low	30.7	Very low	46 Å²	46	109 Å²	109	47%	0.474	71%	0.713	S	S	.	*			cis	-170.5	-132.1	6.3	0	0	0	0	0	115
1878	L	32.2	Very low	30.6	Very low	158 Å²	158	107.6 Å²	107.6	83%	0.827	72%	0.715	S	S	*	*			trans	76.8	58.5	-163.2	-58.4	177.1	0	0	0	115.8
1879	G	30.4	Very low	30.6	Very low	74 Å²	74	105.9 Å²	105.9	76%	0.763	72%	0.715	S	S	*	*			trans	-86	135.1	141.6	0	0	0	0	0	109.6
1880	S	31.5	Very low	30.3	Very low	104 Å²	104	107.4 Å²	107.4	73%	0.727	72%	0.719	S	S	*	*			trans	-155.1	99.5	176	-167	0	0	0	0	112.3
1881	M	30.9	Very low	30.2	Very low	178 Å²	178	108.2 Å²	108.2	88%	0.877	72%	0.718	S	S	*	*			trans	-152	126	159.4	-78.8	-167.7	167.8	0	0	104.2
1882	T	30.7	Very low	30	Very low	110 Å²	110	108 Å²	108	68%	0.675	72%	0.715	S	S	*	*			cis	55.4	115.5	46.7	73.9	0	0	0	0	112.8
1883	S	30.5	Very low	29.8	Very low	91 Å²	91	110.5 Å²	110.5	64%	0.636	73%	0.727	S	S	*	*			cis	-166.4	143.7	4.8	45.2	0	0	0	0	111.2
1884	S	29.3	Very low	29.6	Very low	125 Å²	125	104.7 Å²	104.7	87%	0.874	72%	0.717	S	S	*	*			trans	-126.9	127.9	164.1	-59.7	0	0	0	0	109.5
1885	N	29.2	Very low	29.4	Very low	168 Å²	168	107.6 Å²	107.6	90%	0.898	74%	0.735	S	S	*	*			trans	-96.5	-175.1	169.1	-138.8	-8.2	0	0	0	109.5
1886	A	26.8	Very low	29.3	Very low	93 Å²	93	107.8 Å²	107.8	77%	0.769	75%	0.748	S	S	*	*			trans	-47.6	154.2	-174.1	0	0	0	0	0	117.7
1887	G	28	Very low	29.2	Very low	73 Å²	73	111.4 Å²	111.4	75%	0.753	76%	0.761	S	S	*	*			trans	160.8	71.7	178.4	0	0	0	0	0	110.7
1888	S	27.4	Very low	29.2	Very low	120 Å²	120	115.1 Å²	115.1	84%	0.839	77%	0.77	S	S	*	*			cis	73.1	99.9	43.1	87.3	0	0	0	0	114.4
1889	G	28.7	Very low	29	Very low	70 Å²	70	113.2 Å²	113.2	72%	0.722	76%	0.76	S	S	*	*			trans	132.1	142.1	172.7	0	0	0	0	0	112.3
1890	C	25.8	Very low	28.9	Very low	114 Å²	114	114.2 Å²	114.2	77%	0.77	75%	0.752	S	S	*	*			cis	-156.4	166.6	-6.6	-94.4	0	0	0	0	109.3
1891	N	28.5	Very low	28.5	Very low	150 Å²	150	115.7 Å²	115.7	80%	0.802	75%	0.752	S	S	*	*			trans	68.6	151.1	166.2	-56.3	-12.2	0	0	0	116
1892	C	28.5	Very low	28.6	Very low	99 Å²	99	114 Å²	114	67%	0.669	75%	0.745	S	S	*	*			cis	-159.9	154.4	-16.7	-112.9	0	0	0	0	108.6
1893	T	30.2	Very low	28.2	Very low	146 Å²	146	115.6 Å²	115.6	90%	0.896	75%	0.749	S	S	*	*			trans	54.6	135.8	160.7	53.9	0	0	0	0	118.7
1894	G	30.1	Very low	28.1	Very low	65 Å²	65	116.7 Å²	116.7	67%	0.67	75%	0.751	S	S	*	*			cis	174.3	-164	-0.7	0	0	0	0	0	111.6
1895	T	27.8	Very low	27.9	Very low	143 Å²	143	117.6 Å²	117.6	88%	0.877	75%	0.746	S	S	*	*			trans	-13.9	133.1	154.7	51.8	0	0	0	0	116.3
1896	G	29.4	Very low	27.9	Very low	68 Å²	68	115.3 Å²	115.3	70%	0.701	73%	0.734	S	S	*	*			cis	138.4	-160.6	5.9	0	0	0	0	0	110.4
1897	L	28.5	Very low	28	Very low	145 Å²	145	116.6 Å²	116.6	76%	0.759	73%	0.728	S	S	*	*			trans	64	124.9	159.8	-60.3	176.4	0	0	0	119.2
1898	N	28.5	Very low	28	Very low	123 Å²	123	119.2 Å²	119.2	66%	0.658	73%	0.729	S	S	*	*			trans	73.8	154.7	131.2	-61.6	9	0	0	0	118.6
1899	N	29.4	Very low	28.3	Very low	118 Å²	118	119.3 Å²	119.3	63%	0.631	73%	0.729	S	S	*	*			cis	-150.2	140.3	-12.2	-119.8	4.3	0	0	0	113.2
1900	T	26.6	Very low	28.4	Very low	95 Å²	95	119.2 Å²	119.2	58%	0.583	73%	0.728	S	S	*	*			trans	19.2	137.6	132.7	65.4	0	0	0	0	121.5
1901	N	23.7	Very low	28.6	Very low	136 Å²	136	121.4 Å²	121.4	73%	0.727	73%	0.732	S	S	*	*			trans	68.6	164	149.6	-52	-17.8	0	0	0	114.3
1902	I	32.3	Very low	28.6	Very low	143 Å²	143	120.1 Å²	120.1	73%	0.733	73%	0.73	S	S	*	*			cis	-129.1	130.8	18	-69.9	169.6	0	0	0	106.5	V1904	I1902-V1904 HydrophobicContact CG2-CG2 4.12Å
1903	N	22.9	Very low	28.7	Very low	143 Å²	143	120.4 Å²	120.4	77%	0.765	73%	0.733	S	S	*	*				59.4	169.3	77.5	-93.6	-8.2	0	0	0	113.8
1904	V	27.7	Very low	28.7	Very low	113 Å²	113	117.8 Å²	117.8	69%	0.685	72%	0.721	S	S	*	*			trans	71.8	93.2	179.4	-175.7	0	0	0	0	111.3	I1902	I1902-V1904 HydrophobicContact CG2-CG2 4.12Å
1905	L	25.8	Very low	28.8	Very low	144 Å²	144	120.8 Å²	120.8	75%	0.754	72%	0.721	S	S	*	*				73.7	137.6	95	-68.5	158.4	0	0	0	111.6
1906	D	29.6	Very low	29	Very low	121 Å²	121	120.7 Å²	120.7	65%	0.647	71%	0.714	S	S	*	*			cis	-154.1	160.5	41.2	-118.7	-25.2	0	0	0	115.1
1907	N	29.5	Very low	29.1	Very low	120 Å²	120	123.3 Å²	123.3	64%	0.642	72%	0.72	S	S	*	*			trans	36.7	114.8	141.2	-62.1	-34.1	0	0	0	120.8
1908	V	27.4	Very low	29.2	Very low	127 Å²	127	121.7 Å²	121.7	77%	0.77	72%	0.716	S	S	*	*				91.3	140.2	68.7	160.2	0	0	0	0	113.3
1909	S	32.5	Very low	29.3	Very low	122 Å²	122	122.7 Å²	122.7	85%	0.853	72%	0.721	S	S	*	*			trans	71.9	133.5	-173.5	78	0	0	0	0	115.3
1910	G	32	Very low	29.5	Very low	68 Å²	68	122.3 Å²	122.3	70%	0.701	72%	0.723	S	S	*	*			cis	178.9	150.6	-12.6	0	0	0	0	0	115.2
1911	N	28.9	Very low	29.8	Very low	160 Å²	160	125.5 Å²	125.5	86%	0.856	74%	0.736	S	S	*	*			trans	68.9	120.8	156	-73.8	-7.4	0	0	0	122.1
1912	V	30.2	Very low	30.7	Very low	123 Å²	123	124.4 Å²	124.4	75%	0.745	74%	0.736	S	S	*	*				92	94.2	129.5	175.5	0	0	0	0	119.8
1913	S	28.9	Very low	30.7	Very low	106 Å²	106	128.8 Å²	128.8	74%	0.741	74%	0.744	S	S	*	*			trans	59.4	144.1	136.6	66.5	0	0	0	0	121.9
1914	S	31.6	Very low	31.1	Very low	91 Å²	91	129.4 Å²	129.4	64%	0.636	75%	0.746	S	S	*	*			cis	-175.8	167.8	-4.9	45.2	0	0	0	0	112.3
1915	N	31	Very low	31.3	Very low	128 Å²	128	129.7 Å²	129.7	68%	0.684	75%	0.748	S	S	*	*			trans	77.6	141.7	161.6	-59.7	-18.1	0	0	0	117.6
1916	I	32.7	Very low	31.5	Very low	141 Å²	141	132.1 Å²	132.1	72%	0.723	76%	0.756	S	S	*	*			cis	-151	152.8	-5.6	-109.1	159.4	0	0	0	109.2
1917	C	31.6	Very low	31.4	Very low	122 Å²	122	129.7 Å²	129.7	82%	0.824	76%	0.759	S	S	*	*			trans	-157.1	174.4	179.5	-88.1	0	0	0	0	112.5
1918	V	31.2	Very low	31.3	Very low	111 Å²	111	130.7 Å²	130.7	67%	0.673	76%	0.764	S	S	*	*			cis	166	151.2	-45.9	146	0	0	0	0	110.3
1919	N	30.6	Very low	31.1	Very low	145 Å²	145	131.4 Å²	131.4	78%	0.775	76%	0.764	S	S	*	*			trans	68.2	166	168.8	-75.4	-9.9	0	0	0	117.7
1920	T	32	Very low	30.9	Very low	109 Å²	109	131 Å²	131	67%	0.669	76%	0.761	S	S	*	*			cis	-167.8	175.3	-19.4	30.9	0	0	0	0	109.7
1921	L	33.6	Very low	30.9	Very low	162 Å²	162	132.1 Å²	132.1	85%	0.848	76%	0.758	S	S	*	*				143.7	151.1	128.8	-76.7	171.9	0	0	0	117.3
1922	P	42.3	Very low	31	Very low	114 Å²	114	130.6 Å²	130.6	74%	0.74	75%	0.75	S	S	*	*			trans	-136.1	142.1	161.1	37.9	-22.2	0	0	0	117
1923	R	33.8	Very low	31.1	Very low	234 Å²	234	131.7 Å²	131.7	88%	0.883	75%	0.751	S	S	*	*			trans	68.2	120.4	170	-65.1	-169.6	173.7	-158.6	-2.3	117.4
1924	L	30.8	Very low	31.2	Very low	156 Å²	156	132.2 Å²	132.2	82%	0.817	75%	0.75	S	S	*	*				75.1	124.6	60.5	-69	178.5	0	0	0	113.7
1925	V	31.9	Very low	31.1	Very low	120 Å²	120	133.8 Å²	133.8	73%	0.727	75%	0.751	S	S	*	*			cis	-155.8	137.8	-11	164.3	0	0	0	0	109.7
1926	E	29.9	Very low	31.1	Very low	195 Å²	195	134.3 Å²	134.3	91%	0.911	75%	0.754	S	S	*	*			trans	-167.3	129.9	143.3	-101.1	164.3	-157.3	0	0	103
1927	G	28	Very low	30.7	Very low	70 Å²	70	138.3 Å²	138.3	72%	0.722	76%	0.761	S	S	*	*				95.4	128.2	51.9	0	0	0	0	0	109
1928	D	25.7	Very low	31.1	Very low	141 Å²	141	137.1 Å²	137.1	75%	0.754	75%	0.752	S	S	*	*			cis	-171.1	147.3	-14.5	-151	31	0	0	0	108
1929	N	25	Very low	30.9	Very low	141 Å²	141	138.1 Å²	138.1	75%	0.754	75%	0.754	S	S	*	*			trans	62.6	163.3	168.4	-55.6	-61.7	0	0	0	117.2
1930	S	26.5	Very low	30.5	Very low	113 Å²	113	138 Å²	138	79%	0.79	75%	0.753	S	S	*	*			cis	-149.5	176.7	-17.4	47.9	0	0	0	0	106.2
1931	S	32.7	Very low	30.3	Very low	92 Å²	92	137.7 Å²	137.7	64%	0.643	76%	0.755	S	S	*	*			cis	-157.1	156.4	27.8	63.2	0	0	0	0	109.2
1932	N	31.2	Very low	29.9	Very low	129 Å²	129	138.7 Å²	138.7	69%	0.69	76%	0.755	S	S	*	*				-159.8	144.2	66.2	-84.7	-35.3	0	0	0	111.9
1933	L	31.3	Very low	29	Very low	146 Å²	146	138.8 Å²	138.8	76%	0.764	75%	0.754	S	S	*	*				42.7	132	121.6	-46.6	171.3	0	0	0	118
1934	T	30.8	Very low	28.9	Very low	117 Å²	117	136 Å²	136	72%	0.718	75%	0.749	S	S	*	*			cis	-167.2	168.1	16.5	-4	0	0	0	0	112.5
1935	N	31.2	Very low	28.9	Very low	124 Å²	124	134.3 Å²	134.3	66%	0.663	74%	0.74	S	S	*	*			trans	79.6	117.3	152.6	-72.9	37.1	0	0	0	122.5
1936	D	29.2	Very low	28.9	Very low	138 Å²	138	136.6 Å²	136.6	74%	0.738	74%	0.743	S	S	*	*				82.6	122.6	123.5	-52.2	-22.8	0	0	0	124.5
1937	Y	25.1	Very low	28.7	Very low	226 Å²	226	134.5 Å²	134.5	89%	0.886	74%	0.738	S	S	*	*			trans	-69.6	-179.3	153.1	-86.2	-104.9	0	0	0	111
1938	P	39.9	Very low	28.8	Very low	96 Å²	96	137.9 Å²	137.9	62%	0.623	74%	0.739	S	S	*	*			cis	-142.1	-167.9	11.1	40.5	-18.8	0	0	0	116.8
1939	N	27.4	Very low	29	Very low	133 Å²	133	136.7 Å²	136.7	71%	0.711	73%	0.733	S	S	*	*			trans	70.7	121.2	139.5	-75.6	-10.6	0	0	0	124.3
1940	N	23	Very low	29.1	Very low	141 Å²	141	136.3 Å²	136.3	75%	0.754	73%	0.731	S	S	*	*				56.6	162.3	121	-69.2	-6	0	0	0	124
1941	S	27.3	Very low	29.1	Very low	103 Å²	103	138 Å²	138	72%	0.72	73%	0.73	S	S	*	*			trans	66.6	113.4	174.8	23	0	0	0	0	114.9
1942	Q	23.9	Very low	28.8	Very low	183 Å²	183	138 Å²	138	86%	0.855	73%	0.73	S	S	*	*				82.1	146.9	58.2	-78	-169.2	-46.2	0	0	113.9
1943	V	25.2	Very low	28.8	Very low	117 Å²	117	140.2 Å²	140.2	71%	0.709	73%	0.733	S	S	*	*			trans	61	131.4	177.6	-115.7	0	0	0	0	114.4
1944	F	30.3	Very low	28.4	Very low	175 Å²	175	141 Å²	141	77%	0.768	74%	0.735	S	S	*	*			cis	-131.2	152.5	13.7	-82	-100.7	0	0	0	112.7
1945	N	30.6	Very low	28.2	Very low	120 Å²	120	145.7 Å²	145.7	64%	0.642	74%	0.74	S	S	*	*			trans	52.4	139.2	144.8	-60.8	25.7	0	0	0	120
1946	E	32.9	Very low	28	Very low	169 Å²	169	148.9 Å²	148.9	79%	0.79	74%	0.742	S	S	*	*			cis	-147.3	140.4	5.1	-118.7	146.5	-127.7	0	0	109.5
1947	D	25.8	Very low	27.9	Very low	150 Å²	150	148.3 Å²	148.3	80%	0.802	73%	0.734	S	S	*	*			trans	-87.1	177.8	173.5	-73.6	-72.5	0	0	0	112.1
1948	D	30.1	Very low	28.1	Very low	141 Å²	141	147.1 Å²	147.1	75%	0.754	73%	0.729	S	S	*	*			trans	100.1	141.5	155.2	-65.2	-15.5	0	0	0	118.1
1949	N	29.4	Very low	27.4	Very low	116 Å²	116	152.2 Å²	152.2	62%	0.62	74%	0.737	S	S	*	*			cis	-151	123.3	-25.2	-111.9	-51.9	0	0	0	105.1
1950	N	26.5	Very low	27.4	Very low	134 Å²	134	154.8 Å²	154.8	72%	0.717	74%	0.742	S	S	*	*				80.7	152.8	78.3	-161.4	1	0	0	0	113.7
1951	I	27.6	Very low	27.8	Very low	148 Å²	148	153.8 Å²	153.8	76%	0.759	75%	0.746	S	S	*	*			trans	70.6	123.5	174.2	-56.1	175.5	0	0	0	114.4
1952	S	26.6	Very low	27.9	Very low	92 Å²	92	159.5 Å²	159.5	64%	0.643	75%	0.753	S	S	*	*			cis	-160.9	172.9	1.2	-142.9	0	0	0	0	114.5
1953	K	29.7	Very low	28.2	Very low	176 Å²	176	153.7 Å²	153.7	77%	0.765	74%	0.743	S	S	*	*			trans	65.8	107	161.3	-66.2	164	-173.6	172.6	0	116.9
1954	M	24.4	Very low	28.3	Very low	163 Å²	163	157.3 Å²	157.3	80%	0.803	75%	0.745	S	S	*	*				66.7	134.8	74.9	-64.4	-154.8	-133.3	0	0	114.4
1955	W	25.6	Very low	28.2	Very low	215 Å²	215	154.2 Å²	154.2	81%	0.814	74%	0.744	S	S	*	*			cis	-152.5	140.9	-3.1	-123.3	41.8	0	0	0	107.3
1956	R	27.1	Very low	28.2	Very low	190 Å²	190	153.7 Å²	153.7	72%	0.717	75%	0.75	S	S	*	*				36	140.4	92	-61.8	-166.6	171.3	-173.9	1.7	115.5
1957	K	27.8	Very low	28.5	Very low	127 Å²	127	151.3 Å²	151.3	55%	0.552	75%	0.749	S	S	*	*			cis	-173.5	167.3	-10	-105.5	-177.2	-174.8	-178	0	106.6
1958	Y	29.9	Very low	28.6	Very low	200 Å²	200	149.2 Å²	149.2	78%	0.784	75%	0.745	S	S	*	*				148	150.6	114.4	-96.3	-69.8	0	0	0	115.5
1959	Y	24.7	Very low	28.5	Very low	203 Å²	203	149.1 Å²	149.1	80%	0.796	74%	0.744	S	S	*	*			trans	-132.5	149.3	173.9	-136.8	-58.6	0	0	0	106.4
1960	K	27.9	Very low	28.6	Very low	187 Å²	187	150.3 Å²	150.3	81%	0.813	75%	0.751	S	S	*	*			trans	56.8	111.1	168.9	-73.7	162.8	-178.4	173.9	0	117.7
1961	S	29.5	Very low	28.7	Very low	121 Å²	121	152.2 Å²	152.2	85%	0.846	76%	0.756	S	S	*	*				-174.4	178	100.8	43	0	0	0	0	110.8
1962	Y	30.3	Very low	29	Very low	222 Å²	222	149.7 Å²	149.7	87%	0.871	75%	0.749	S	S	*	*			trans	-100.4	164	-165.7	-82.1	-101.9	0	0	0	113.5
1963	G	29.3	Very low	29.1	Very low	62 Å²	62	153.7 Å²	153.7	64%	0.639	76%	0.757	S	S	*	*			trans	-64	177.5	179.5	0	0	0	0	0	115.5
1964	Y	28.7	Very low	29	Very low	192 Å²	192	150.2 Å²	150.2	75%	0.753	75%	0.751	S	S	*	*				-123.6	-174.1	73.9	-86.1	-89.2	0	0	0	115.9
1965	C	28.4	Very low	29.2	Very low	111 Å²	111	150.9 Å²	150.9	75%	0.75	75%	0.75	S	S	*	*			trans	-84.6	155.3	-165.8	-51.6	0	0	0	0	114.8
1966	S	30.1	Very low	29.2	Very low	108 Å²	108	150.5 Å²	150.5	76%	0.755	75%	0.749	S	S	*	*			trans	29	141.9	130.2	-55.3	0	0	0	0	120.8
1967	P	39.7	Very low	29.8	Very low	119 Å²	119	145.9 Å²	145.9	77%	0.773	74%	0.744	S	S	*	*			cis	-142	141.5	42.4	37.7	-18.2	0	0	0	119.6
1968	C	27.1	Very low	29.7	Very low	107 Å²	107	147.9 Å²	147.9	72%	0.723	76%	0.755	S	S	*	*			trans	44	123.4	133.7	-62.2	0	0	0	0	123.8
1969	N	28.9	Very low	29.6	Very low	138 Å²	138	143.1 Å²	143.1	74%	0.738	75%	0.747	S	S	*	*				74	97.2	129.4	-61.3	19	0	0	0	120.4
1970	N	30.6	Very low	29.8	Very low	142 Å²	142	141.8 Å²	141.8	76%	0.759	75%	0.746	S	S	*	*				-178.5	116.8	95.6	-91.9	-12.7	0	0	0	109.4
1971	Q	29.4	Very low	29.6	Very low	174 Å²	174	137.9 Å²	137.9	81%	0.813	73%	0.734	S	S	*	*				89.2	154.4	94.4	-76.4	-80	-68.2	0	0	112.1
1972	P	33.6	Very low	29.8	Very low	94 Å²	94	137.3 Å²	137.3	61%	0.61	73%	0.73	S	S	*	*			trans	-115.8	-165.6	-137.2	43.3	-36.3	0	0	0	115.7
1973	E	28.6	Very low	29.8	Very low	177 Å²	177	133.3 Å²	133.3	83%	0.827	72%	0.719	S	S	*	*			trans	105.6	118.4	157.9	-75.1	165.1	-148	0	0	120.2
1974	T	28.3	Very low	29.8	Very low	102 Å²	102	136.5 Å²	136.5	63%	0.626	73%	0.726	S	S	*	*			trans	-43.3	160.8	152.1	46	0	0	0	0	113.9
1975	F	26.8	Very low	29.8	Very low	178 Å²	178	135.4 Å²	135.4	78%	0.781	73%	0.728	S	S	*	*			cis	-155.6	144	42	-96	-89.1	0	0	0	112.8
1976	Y	26.2	Very low	29.6	Very low	206 Å²	206	135.3 Å²	135.3	81%	0.808	73%	0.727	S	S	*	*				46.7	159.7	127.6	-87.4	-108.9	0	0	0	121.7
1977	P	39.8	Very low	29.6	Very low	94 Å²	94	140.3 Å²	140.3	61%	0.61	73%	0.731	S	S	*	*				-136.7	-144.2	-127.2	37.5	-12.6	0	0	0	113.4
1978	E	26.9	Very low	29	Very low	168 Å²	168	138.9 Å²	138.9	79%	0.785	72%	0.724	S	S	*	*			trans	76.2	148.7	166.2	-73.1	173.5	-141.8	0	0	115.8
1979	V	27.5	Very low	29.1	Very low	101 Å²	101	141.4 Å²	141.4	61%	0.612	73%	0.73	S	S	*	*			cis	-154.3	150.1	9.6	99.2	0	0	0	0	111.8
1980	F	27.7	Very low	29.1	Very low	174 Å²	174	141.1 Å²	141.1	76%	0.763	73%	0.733	S	S	*	*			trans	62.8	169.2	158	-77	-156.6	0	0	0	119.9
1981	N	24.7	Very low	29.4	Very low	105 Å²	105	139.8 Å²	139.8	56%	0.561	73%	0.733	S	S	*	*			cis	-161.7	146.8	-38	-108.7	23.4	0	0	0	109.2	E1983	N1981-E1983 WeakPolarHBondContact CB-OE1 3.33Å; N1981-E1983 PolarHBondContact ND2-OE1 2.7Å
1982	S	34.1	Very low	29.5	Very low	109 Å²	109	135.6 Å²	135.6	76%	0.762	73%	0.728	S	S	*	*			trans	171.9	138.1	150.6	52	0	0	0	0	108
1983	E	29.7	Very low	29.4	Very low	139 Å²	139	137.3 Å²	137.3	65%	0.65	74%	0.737	S	S	*	*			cis	124.5	123.3	7.7	56.4	64.5	-178.2	0	0	106.6	N1981	N1981-E1983 WeakPolarHBondContact CB-OE1 3.33Å; N1981-E1983 PolarHBondContact ND2-OE1 2.7Å
1984	T	29.7	Very low	29.6	Very low	128 Å²	128	134.6 Å²	134.6	79%	0.785	73%	0.732	S	S	*	*			cis	-151.9	163.6	7.9	-35.6	0	0	0	0	110.1
1985	E	27.3	Very low	29.8	Very low	170 Å²	170	136.3 Å²	136.3	79%	0.794	74%	0.736	S	S	*	*			trans	-63.2	160.8	171.3	-51	167.9	124.1	0	0	113.2
1986	C	24.8	Very low	30.1	Very low	108 Å²	108	135.5 Å²	135.5	73%	0.73	74%	0.74	S	S	*	*				170.9	168.5	121.7	-86.1	0	0	0	0	114.4
1987	Y	30.1	Very low	30.3	Very low	213 Å²	213	129 Å²	129	84%	0.835	74%	0.735	S	S	*	*			trans	76.3	76.9	164.5	-65.8	-70.5	0	0	0	120.6
1988	S	26.9	Very low	29.9	Very low	89 Å²	89	132.7 Å²	132.7	62%	0.622	75%	0.748	S	S	*	*				5.2	137.3	125.2	59	0	0	0	0	120.4
1989	N	30.6	Very low	30.1	Very low	161 Å²	161	129.3 Å²	129.3	86%	0.861	74%	0.743	S	S	*	*				-169.2	146.5	111.5	-92.3	-23.4	0	0	0	113.9
1990	T	27.6	Very low	30.1	Very low	131 Å²	131	130 Å²	130	80%	0.804	75%	0.753	S	S	*	*			trans	-102.8	-171.8	168.4	53.7	0	0	0	0	108.5
1991	P	37.4	Very low	30.1	Very low	115 Å²	115	128.6 Å²	128.6	75%	0.747	76%	0.759	S	S	*	*			cis	-143	-163.2	8.2	44.7	-24.1	0	0	0	116.6
1992	A	31.6	Very low	30.3	Very low	86 Å²	86	128.5 Å²	128.5	71%	0.711	77%	0.773	S	S	*	*			trans	79.2	141.7	160.1	0	0	0	0	0	117.3
1993	T	31.9	Very low	30	Very low	130 Å²	130	128.8 Å²	128.8	80%	0.798	78%	0.775	S	S	*	*			cis	-158.8	161.5	1.5	-8.3	0	0	0	0	112
1994	V	33.2	Very low	30.4	Very low	120 Å²	120	127.6 Å²	127.6	73%	0.727	78%	0.779	S	S	*	*			trans	63.3	97.3	161.9	179.6	0	0	0	0	115.6
1995	I	32.3	Very low	30.6	Very low	138 Å²	138	127.4 Å²	127.4	71%	0.708	78%	0.777	S	S	*	*				85	124.3	74.8	-70.9	165.1	0	0	0	114.5
1996	N	32	Very low	31	Very low	161 Å²	161	124.3 Å²	124.3	86%	0.861	77%	0.772	S	S	*	*			trans	65.2	138.5	164.8	-66.3	-10.1	0	0	0	120.7
1997	G	30.5	Very low	31.6	Very low	68 Å²	68	122.6 Å²	122.6	70%	0.701	76%	0.759	S	S	*	*				146.5	22.4	119.7	0	0	0	0	0	124.8
1998	L	30.8	Very low	31.6	Very low	172 Å²	172	114.9 Å²	114.9	90%	0.901	74%	0.737	S	S	*	*			trans	65.6	155.2	160.1	-67.6	166.3	0	0	0	121.1
1999	S	30.9	Very low	31.9	Very low	97 Å²	97	117.2 Å²	117.2	68%	0.678	74%	0.741	S	S	*	*			trans	52.9	74.3	151.3	56	0	0	0	0	120.7
2000	S	27.9	Very low	31.8	Very low	116 Å²	116	113.9 Å²	113.9	81%	0.811	73%	0.73	S	S	*	*				18.4	101.5	124.5	59.9	0	0	0	0	119.6
2001	T	27.6	Very low	32	Very low	144 Å²	144	113.5 Å²	113.5	88%	0.883	73%	0.728	S	S	*	*			trans	-140.8	128.8	144.3	44	0	0	0	0	110.4
2002	A	30.4	Very low	31.7	Very low	104 Å²	104	119.3 Å²	119.3	86%	0.86	74%	0.737	S	S	*	*			trans	-158.6	102.9	169.8	0	0	0	0	0	110.6
2003	S	27.7	Very low	31.5	Very low	115 Å²	115	123.3 Å²	123.3	80%	0.804	74%	0.74	S	S	*	*			trans	-80.8	-167.8	166.1	-49.5	0	0	0	0	109.1
2004	P	37.1	Very low	31.5	Very low	113 Å²	113	127.5 Å²	127.5	73%	0.734	74%	0.743	S	S	*	*			cis	-139.7	-164.3	0	39.6	-17.8	0	0	0	114.6
2005	V	34.2	Very low	31.3	Very low	124 Å²	124	128.5 Å²	128.5	75%	0.752	74%	0.739	S	S	*	*				161.1	130.7	124.2	160.1	0	0	0	0	112.1
2006	P	34.6	Very low	31	Very low	106 Å²	106	129.5 Å²	129.5	69%	0.688	74%	0.741	S	S	*	*			trans	-113.3	-151.4	165.8	46.1	-34.8	0	0	0	110.8
2007	P	38.8	Very low	30.8	Very low	71 Å²	71	129 Å²	129	46%	0.461	74%	0.738	S	S	.	*				-131.2	162.7	-119.4	35.8	-13.6	0	0	0	120.8	H2031	P2007-H2031 WeakPolarHBondContact CA-CE1 3.02Å; P2007-H2031 WeakPolarHBondContact CB-CE1 3.14Å; P2007-H2031 WeakPolarHBondContact CB-ND1 3.32Å
2008	S	29.9	Very low	31.5	Very low	52 Å²	52	130.5 Å²	130.5	36%	0.364	74%	0.735	S	S	.	*			trans	89.4	153.3	141	79.5	0	0	0	0	124.2	H2031	S2008-H2031 PolarHBondContact N-CD2 3.01Å; S2008-H2031 VanDerWaalsContact N-CD2 3.32Å; S2008-H2031 PolarHBondContact N-CE1 3.32Å; S2008-H2031 PolarHBondContact N-NE2 3.45Å
2009	I	32.2	Very low	31.5	Very low	138 Å²	138	130.4 Å²	130.4	71%	0.708	73%	0.73	S	S	*	*			trans	97	113.5	149.3	-72	165.1	0	0	0	123.6
2010	S	29.1	Very low	31.5	Very low	91 Å²	91	132.5 Å²	132.5	64%	0.636	73%	0.733	S	S	*	*			trans	59.6	121.1	138.4	81.4	0	0	0	0	128.6
2011	T	31.1	Very low	31.6	Very low	123 Å²	123	134.3 Å²	134.3	76%	0.755	73%	0.728	S	S	*	*				57.8	131.4	126.7	60.9	0	0	0	0	125.3
2012	Y	31.8	Very low	31.7	Very low	237 Å²	237	134 Å²	134	93%	0.929	72%	0.716	S	S	*	*				-157.4	166.3	120.1	-112.6	-78.8	0	0	0	111.3
2013	H	27.3	Very low	31.7	Very low	170 Å²	170	136.1 Å²	136.1	79%	0.787	71%	0.708	S	S	*	*			trans	-87.8	158.2	-171.6	-84.9	-88.5	0	0	0	115.6
2014	Y	31.9	Very low	31.8	Very low	217 Å²	217	137 Å²	137	85%	0.851	70%	0.699	S	S	*	*				-173.8	166.2	112.8	-111	-92.9	0	0	0	113.1
2015	H	29	Very low	31.4	Very low	141 Å²	141	138.4 Å²	138.4	65%	0.653	70%	0.696	S	S	*	*			trans	-53.1	153.6	-156.8	-81	-114.8	0	0	0	124.1
2016	H	27.2	Very low	31.2	Very low	160 Å²	160	139.1 Å²	139.1	74%	0.741	69%	0.691	S	S	*	*			trans	49.6	123.1	145.9	-64.1	-47	0	0	0	125
2017	N	28	Very low	30.7	Very low	151 Å²	151	144.3 Å²	144.3	81%	0.807	70%	0.697	S	S	*	*				23	152.2	121.8	-98.5	-2	0	0	0	122.1
2018	P	44.9	Very low	30.3	Very low	98 Å²	98	149.7 Å²	149.7	64%	0.636	72%	0.716	S	S	*	*			cis	-143.1	168.6	-0.4	41.4	-22.5	0	0	0	118.5
2019	H	30.1	Very low	30.4	Very low	170 Å²	170	151.7 Å²	151.7	79%	0.787	73%	0.73	S	S	*	*			trans	69.6	135.6	145.7	-96.3	-74.1	0	0	0	124.3
2020	L	30.7	Very low	30.2	Very low	141 Å²	141	152.5 Å²	152.5	74%	0.738	73%	0.731	S	S	*	*			trans	98.2	119.6	146.8	-69	159.8	0	0	0	122.8
2021	H	29.7	Very low	30.2	Very low	154 Å²	154	153 Å²	153	71%	0.713	72%	0.723	S	S	*	*			trans	75.2	134.2	147.3	-85.7	-65.7	0	0	0	125.5
2022	H	29.7	Very low	30	Very low	137 Å²	137	153.2 Å²	153.2	63%	0.634	72%	0.72	S	S	*	*			trans	58.2	115.9	152.6	-78.3	-73.6	0	0	0	122.5
2023	Q	30.4	Very low	30	Very low	149 Å²	149	147.8 Å²	147.8	70%	0.696	71%	0.706	S	S	*	*				49.4	145.8	120.6	-75.9	175	-31.2	0	0	120.5
2024	H	29.5	Very low	29.9	Very low	133 Å²	133	145.8 Å²	145.8	62%	0.616	70%	0.701	S	S	*	*			cis	-155.4	145.2	17.1	-143.5	-89.2	0	0	0	112
2025	Q	29.3	Very low	29.8	Very low	143 Å²	143	142.8 Å²	142.8	67%	0.668	70%	0.699	S	S	*	*			trans	66.1	136.3	152.8	-98.1	-175.8	46.7	0	0	124.6
2026	Q	30.4	Very low	29.8	Very low	139 Å²	139	141.3 Å²	141.3	65%	0.65	70%	0.7	S	S	*	*			trans	76.3	105.4	144.6	-64.9	-160.2	68	0	0	124.3
2027	R	24.8	Very low	29.8	Very low	216 Å²	216	142 Å²	142	82%	0.815	71%	0.705	S	S	*	*			trans	72.1	150.2	130.8	-65.4	-174.5	174.6	-139.3	-0.3	120.9
2028	Q	30.3	Very low	29.9	Very low	184 Å²	184	139.3 Å²	139.3	86%	0.86	70%	0.698	S	S	*	*			trans	69.1	147.2	170.7	-63.7	179.1	4.8	0	0	115.3
2029	S	30.3	Very low	29.1	Very low	94 Å²	94	141.8 Å²	141.8	66%	0.657	71%	0.706	S	S	*	*			cis	-164.4	151	-16	44.2	0	0	0	0	112.1
2030	Q	29	Very low	29.1	Very low	155 Å²	155	137.8 Å²	137.8	72%	0.724	70%	0.697	S	S	*	*			trans	40.3	131.9	147.8	-60.7	-179.2	6.6	0	0	121.7
2031	H	29.2	Very low	29.1	Very low	102 Å²	102	137 Å²	137	47%	0.472	69%	0.694	S	S	.	*				-163.2	175.2	96.5	-96.7	-44.6	0	0	0	113.9	P2007 S2008	P2007-H2031 WeakPolarHBondContact CA-CE1 3.02Å; P2007-H2031 WeakPolarHBondContact CB-CE1 3.14Å; P2007-H2031 WeakPolarHBondContact CB-ND1 3.32Å; S2008-H2031 PolarHBondContact N-CD2 3.01Å; S2008-H2031 VanDerWaalsContact N-CD2 3.32Å; S2008-H2031 PolarHBondContact N-CE1 3.32Å; S2008-H2031 PolarHBondContact N-NE2 3.45Å
2032	N	27.5	Very low	29.1	Very low	127 Å²	127	135.8 Å²	135.8	68%	0.679	69%	0.688	S	S	*	*			trans	-133.3	175.8	-154.5	-93.4	-0.5	0	0	0	112.9
2033	L	30	Very low	29.2	Very low	122 Å²	122	138.1 Å²	138.1	64%	0.639	69%	0.693	S	S	*	*			trans	85.8	99.5	156.9	-69.4	142.1	0	0	0	119.1
2034	D	26.5	Very low	29.2	Very low	129 Å²	129	136.5 Å²	136.5	69%	0.69	69%	0.689	S	S	*	*				58.6	105.5	106.7	-62.2	2.7	0	0	0	122.3
2035	L	29.5	Very low	29.1	Very low	153 Å²	153	136.3 Å²	136.3	80%	0.801	69%	0.693	S	S	*	*				82.7	138.5	115.1	-77.2	168.1	0	0	0	123.6
2036	V	29.4	Very low	29.1	Very low	111 Å²	111	135.2 Å²	135.2	67%	0.673	69%	0.688	S	S	*	*			trans	82.3	102.7	154	174.1	0	0	0	0	119.7
2037	M	26.7	Very low	29.1	Very low	174 Å²	174	131.2 Å²	131.2	86%	0.857	67%	0.67	S	S	*	*			trans	44	145.7	130.2	-42	-173.3	-174.6	0	0	120.5
2038	S	29.9	Very low	29.2	Very low	94 Å²	94	125.8 Å²	125.8	66%	0.657	65%	0.653	S	S	*	*			cis	-171.2	162.7	35.1	39.4	0	0	0	0	113.1
2039	N	27.8	Very low	29.2	Very low	150 Å²	150	124.2 Å²	124.2	80%	0.802	64%	0.644	S	S	*	*			trans	66	151.6	150.7	-63.5	-11	0	0	0	120.6
2040	S	30.7	Very low	29.1	Very low	86 Å²	86	124.5 Å²	124.5	60%	0.601	65%	0.646	S	S	*	*			cis	-167.9	-178.1	-20.9	58.3	0	0	0	0	110.7
2041	N	30.4	Very low	29.6	Very low	125 Å²	125	122 Å²	122	67%	0.668	64%	0.643	S	S	*	*			trans	79.7	140.5	168.6	-51	-1.3	0	0	0	115
2042	H	30.8	Very low	29.7	Very low	129 Å²	129	125.2 Å²	125.2	60%	0.597	66%	0.658	S	S	*	*			cis	-165.7	169.7	-4.8	-80.9	-34	0	0	0	107.4
2043	Y	31.5	Very low	29.7	Very low	186 Å²	186	123.4 Å²	123.4	73%	0.729	66%	0.655	S	S	*	*			cis	-167	149.1	-20.3	-97.8	157.5	0	0	0	111.4
2044	N	29.4	Very low	29.7	Very low	115 Å²	115	127.7 Å²	127.7	62%	0.615	66%	0.664	S	S	*	*			trans	64.9	118.1	137.5	-64.7	48.6	0	0	0	127.6
2045	D	28.5	Very low	29.8	Very low	129 Å²	129	126.8 Å²	126.8	69%	0.69	66%	0.663	S	S	*	*				92.9	142.1	111.4	-56.1	-7.4	0	0	0	129.1
2046	E	29.5	Very low	29.9	Very low	120 Å²	120	127 Å²	127	56%	0.561	66%	0.66	S	S	*	*			trans	31.4	146.7	145.2	-69.8	-78	97.2	0	0	124.1	T1276	T1276-E2046 CarbonylContact O-C 3.38Å; T1276-E2046 VanDerWaalsContact O-C 3.27Å
2047	M	28.8	Very low	29.8	Very low	55 Å²	55	126.4 Å²	126.4	27%	0.271	66%	0.66	S	S	.	*			cis	-168.6	166.3	-25.1	-144.7	-122.9	-68.2	0	0	114.6	R1274 T1276 Y1277	R1274-M2047 HydrophobicContact CG-CG 4.31Å; R1274-M2047 HydrophobicContact CG-SD 4.22Å; R1274-M2047 WeakPolarHBondContact O-CG 3.23Å; T1276-M2047 VanDerWaalsContact N-CA 3.26Å; T1276-M2047 CarbonylContact O-C 3.41Å; T1276-M2047 WeakPolarHBondContact O-CA 3.44Å; T1276-M2047 PolarHBondContact O-N 3.3Å; Y1277-M2047 WeakPolarHBondContact CB-O 3.34Å
2048	H	27.1	Very low	29.9	Very low	102 Å²	102	122.9 Å²	122.9	47%	0.472	65%	0.653	S	S	.	*			trans	118.8	-141.7	160.3	-79.1	-72.5	0	0	0	123.9	T1276	T1276-H2048 VanDerWaalsContact CB-N 3.31Å; T1276-H2048 PolarHBondContact OG1-N 2.69Å
2049	F	30.5	Very low	29.9	Very low	150 Å²	150	123.9 Å²	123.9	66%	0.658	66%	0.66	S	S	*	*				-78.1	171.5	-126.5	-58.8	-94	0	0	0	122.7	Y1277	Y1277-F2049 HydrophobicContact CD1-CD2 4.47Å; Y1277-F2049 HydrophobicContact CE1-CB 4.11Å; Y1277-F2049 AromaticContact CE1-CD2 3.92Å; Y1277-F2049 HydrophobicContact CE1-CD2 3.92Å; Y1277-F2049 HydrophobicContact CE2-CB 4.38Å; Y1277-F2049 WeakPolarHBondContact CE2-O 3.23Å; Y1277-F2049 WeakPolarHBondContact OH-CB 3.4Å; Y1277-F2049 PolarHBondContact OH-O 3.06Å
2050	S	27.7	Very low	30	Very low	100 Å²	100	121.2 Å²	121.2	70%	0.699	65%	0.653	S	S	*	*			trans	-90.9	-153.7	158.7	-43.2	0	0	0	0	110.3
2051	P	40.9	Very low	29.8	Very low	103 Å²	103	121 Å²	121	67%	0.669	65%	0.645	S	S	*	*			cis	-140.7	-162	-5	28.4	0.1	0	0	0	115.9
2052	H	29.5	Very low	29.8	Very low	170 Å²	170	120.1 Å²	120.1	79%	0.787	65%	0.649	S	S	*	*			trans	73.1	142.7	165.1	-64.3	-65.2	0	0	0	119.4
2053	S	28.1	Very low	29.5	Very low	88 Å²	88	119 Å²	119	62%	0.615	66%	0.655	S	S	*	*			cis	128.9	137.4	-13.3	69.3	0	0	0	0	113.2
2054	Y	30.6	Very low	29.6	Very low	212 Å²	212	116.1 Å²	116.1	83%	0.831	66%	0.659	S	S	*	*			trans	-154.3	-153	144.1	-135.3	-97.5	0	0	0	112.6
2055	V	29.3	Very low	29.4	Very low	110 Å²	110	120.7 Å²	120.7	67%	0.667	67%	0.674	S	S	*	*			trans	-142	167.3	-153.9	-176.2	0	0	0	0	112.2
2056	H	29.9	Very low	29.3	Very low	158 Å²	158	122.5 Å²	122.5	73%	0.731	68%	0.684	S	S	*	*			trans	116.3	130.6	162	-68	-69.1	0	0	0	114.7
2057	S	28.6	Very low	29.2	Very low	98 Å²	98	122.3 Å²	122.3	69%	0.685	70%	0.696	S	S	*	*			cis	157.4	151.3	-10.3	44.4	0	0	0	0	105.2
2058	S	29	Very low	29.1	Very low	100 Å²	100	127.2 Å²	127.2	70%	0.699	72%	0.723	S	S	*	*			cis	-174.8	155.1	-6	43.9	0	0	0	0	110.1
2059	S	29.7	Very low	29.1	Very low	115 Å²	115	133.6 Å²	133.6	80%	0.804	74%	0.743	S	S	*	*			trans	62.6	147.8	168.6	44.8	0	0	0	0	118.7
2060	S	29.1	Very low	29.3	Very low	94 Å²	94	131 Å²	131	66%	0.657	74%	0.741	S	S	*	*			cis	-163.5	157.7	-8.4	44.6	0	0	0	0	112.7
2061	N	26	Very low	29.3	Very low	82 Å²	82	134.4 Å²	134.4	44%	0.439	75%	0.746	S	S	.	*			trans	62.6	111.1	165	-56	-29	0	0	0	120.1	L363 R364	L363-N2061 PolarHBondContact O-ND2 3.26Å; R364-N2061 PolarHBondContact O-ND2 3.05Å
2062	S	30.5	Very low	28.6	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	74%	0.744	S	S	*	*				177.4	161.2	102.3	45.4	0	0	0	0	111.8
2063	S	25.2	Very low	28.5	Very low	105 Å²	105	131.3 Å²	131.3	73%	0.734	74%	0.74	S	S	*	*			trans	-84.6	143	172.6	51.7	0	0	0	0	110.5
2064	P	33.5	Very low	28.4	Very low	126 Å²	126	135 Å²	135	82%	0.818	75%	0.748	S	S	*	*				-141.3	151.5	83.6	37	-22.6	0	0	0	115.7	N2066	P2064-N2066 PolarHBondContact O-N 2.75Å
2065	F	24.2	Very low	28.4	Very low	211 Å²	211	130.8 Å²	130.8	93%	0.925	74%	0.744	S	S	*	*			trans	-80.5	101.8	171.3	-94.3	-97.2	0	0	0	111.2
2066	N	26.9	Very low	28.5	Very low	168 Å²	168	134.6 Å²	134.6	90%	0.898	75%	0.752	S	S	*	*			trans	-168	109.4	143.7	-115.8	-24.9	0	0	0	110.6	P2064	P2064-N2066 PolarHBondContact O-N 2.75Å
2067	S	27.7	Very low	28.4	Very low	116 Å²	116	131 Å²	131	81%	0.811	75%	0.745	S	S	*	*			trans	-152.2	157.9	175.2	61.6	0	0	0	0	111.9
2068	N	27.2	Very low	28.5	Very low	158 Å²	158	130.7 Å²	130.7	85%	0.845	73%	0.733	S	S	*	*			trans	-62.5	160.9	-172.6	-59.2	-54.8	0	0	0	115.2
2069	R	26.2	Very low	28.7	Very low	236 Å²	236	127.6 Å²	127.6	89%	0.891	71%	0.708	S	S	*	*			trans	-26.8	166.2	135	-85.5	179.1	170.2	-172.4	-3.3	115
2070	P	35.6	Very low	28.8	Very low	94 Å²	94	125.2 Å²	125.2	61%	0.61	69%	0.687	S	S	*	*			cis	-137.1	-171	-5	22.2	4.6	0	0	0	114.3
2071	H	28.1	Very low	29.2	Very low	173 Å²	173	127.2 Å²	127.2	80%	0.801	69%	0.689	S	S	*	*			trans	71	152.8	162	-62.6	-66.3	0	0	0	118.8
2072	S	24.6	Very low	29.3	Very low	91 Å²	91	128.9 Å²	128.9	64%	0.636	70%	0.702	S	S	*	*			cis	178.1	168.5	-48.9	43.5	0	0	0	0	108.2
2073	V	28.8	Very low	29.1	Very low	116 Å²	116	131.1 Å²	131.1	70%	0.703	71%	0.706	S	S	*	*			trans	84.1	96.2	174.8	-171.2	0	0	0	0	115.9
2074	E	26.1	Very low	29.3	Very low	166 Å²	166	131.9 Å²	131.9	78%	0.776	70%	0.702	S	S	*	*				43.5	125.4	128	-58.2	159.4	-159.9	0	0	121.2
2075	T	30.1	Very low	29.2	Very low	124 Å²	124	130.1 Å²	130.1	76%	0.761	69%	0.692	S	S	*	*				-175.1	152.8	92	26.7	0	0	0	0	113.9
2076	F	30.6	Very low	29.6	Very low	189 Å²	189	125.2 Å²	125.2	83%	0.829	68%	0.675	S	S	*	*			trans	29.4	89.1	155.8	-70.7	-86.4	0	0	0	122.2
2077	S	29.2	Very low	29.8	Very low	84 Å²	84	123.1 Å²	123.1	59%	0.587	66%	0.659	S	S	*	*				75.1	155.8	103.9	73.6	0	0	0	0	123.8
2078	H	30.5	Very low	29.8	Very low	91 Å²	91	121 Å²	121	42%	0.421	64%	0.638	S	S	.	*			trans	106.4	44.3	161.9	-74.8	-104.9	0	0	0	124.3	H1846 R1847	H1846-H2078 AromaticContact CE1-CE1 3.97Å; H1846-H2078 AromaticContact CE1-ND1 3.29Å; H1846-H2078 PolarHBondContact CE1-ND1 3.34Å; H1846-H2078 VanDerWaalsContact CE1-ND1 3.29Å; H1846-H2078 AromaticContact NE2-CE1 3.99Å; H1846-H2078 AromaticContact NE2-CG 3.74Å; H1846-H2078 AromaticContact NE2-ND1 2.94Å; H1846-H2078 PolarHBondContact NE2-ND1 3.24Å; R1847-H2078 PolarHBondContact NH1-CD2 3.12Å; R1847-H2078 PolarHBondContact NH1-NE2 2.83Å
2079	N	32.4	Very low	29.9	Very low	34 Å²	34	121.8 Å²	121.8	18%	0.182	64%	0.636	C	S	.	*				77.6	121.6	128.5	-18	-65.8	0	0	0	124.9	Y1845 H1846 R1847	Y1845-N2079 CarbonylContact C-O 3.31Å; Y1845-N2079 VanDerWaalsContact CB-O 3.29Å; Y1845-N2079 WeakPolarHBondContact CB-O 3.32Å; Y1845-N2079 WeakPolarHBondContact CD1-O 3.36Å; H1846-N2079 PolarHBondContact NE2-ND2 2.92Å; R1847-N2079 HydrophobicContact CB-CB 4.08Å; R1847-N2079 VanDerWaalsContact CB-CG 3.45Å; R1847-N2079 WeakPolarHBondContact CB-ND2 3.21Å; R1847-N2079 VanDerWaalsContact CD-CG 3.42Å; R1847-N2079 WeakPolarHBondContact CD-OD1 3.02Å; R1847-N2079 HydrophobicContact CG-CB 3.94Å; R1847-N2079 WeakPolarHBondContact CG-ND2 3.41Å; R1847-N2079 WeakPolarHBondContact CG-OD1 3.27Å; R1847-N2079 PolarHBondContact NE-OD1 2.76Å; R1847-N2079 PolarHBondContact NH1-OD1 2.65Å
2080	N	31.5	Very low	29.8	Very low	66 Å²	66	119 Å²	119	35%	0.353	63%	0.626	S	S	.	*				-168	176	94.8	-106.1	4.8	0	0	0	112.5	Y1845 H1846	Y1845-N2080 HydrophobicContact CD1-CB 3.67Å; Y1845-N2080 HydrophobicContact CE1-CB 3.8Å; Y1845-N2080 HydrophobicContact CG-CB 4.03Å; H1846-N2080 PolarHBondContact N-ND2 3.44Å; H1846-N2080 VanDerWaalsContact O-CG 3.28Å; H1846-N2080 PolarHBondContact O-ND2 2.73Å; H1846-N2080 PolarHBondContact O-OD1 3.13Å
2081	L	37.2	Very low	29.4	Very low	136 Å²	136	125 Å²	125	71%	0.712	64%	0.636	S	S	*	*			cis	-139.3	-158.3	10.1	-135.7	-175.3	0	0	0	111.3
2082	T	28.4	Very low	29.3	Very low	116 Å²	116	125.3 Å²	125.3	71%	0.712	63%	0.632	S	S	*	*			trans	-72.2	115.9	-177	48.8	0	0	0	0	115.1
2083	N	27.5	Very low	29.4	Very low	154 Å²	154	125.9 Å²	125.9	82%	0.824	63%	0.631	S	S	*	*			trans	-171.8	105.8	139	-110.4	-21.4	0	0	0	112.3
2084	N	29.3	Very low	29.3	Very low	121 Å²	121	127.3 Å²	127.3	65%	0.647	63%	0.63	S	S	*	*			trans	173.5	136.8	157.9	-91.5	-30.8	0	0	0	106
2085	S	32	Very low	29.2	Very low	88 Å²	88	122.1 Å²	122.1	62%	0.615	61%	0.61	S	S	*	*			cis	74.1	149.3	34.1	104.4	0	0	0	0	113.9
2086	L	30.9	Very low	29.1	Very low	109 Å²	109	118.6 Å²	118.6	57%	0.571	59%	0.591	S	S	*	*			trans	74.4	161.6	-175.1	-45.9	163.9	0	0	0	113.1
2087	F	30.8	Very low	28.9	Very low	124 Å²	124	115.1 Å²	115.1	54%	0.544	58%	0.58	S	S	.	*			cis	-159.8	177.3	13.2	-120.2	-27.4	0	0	0	109.3
2088	D	27.9	Very low	28.6	Very low	72 Å²	72	115.1 Å²	115.1	39%	0.385	58%	0.58	S	S	.	*			cis	-155.6	-159.4	-15.6	-157.6	-8.5	0	0	0	107.9	R2090	D2088-R2090 WeakPolarHBondContact OD1-CG 3.47Å; D2088-R2090 IonicContact OD1-NE 3.62Å; D2088-R2090 PolarHBondContact OD1-NE 2.66Å; D2088-R2090 IonicContact OD2-CZ 2.86Å; D2088-R2090 VanDerWaalsContact OD2-CZ 3.3Å; D2088-R2090 IonicContact OD2-NE 3.7Å; D2088-R2090 PolarHBondContact OD2-NE 2.79Å; D2088-R2090 IonicContact OD2-NH2 2.79Å; D2088-R2090 PolarHBondContact OD2-NH2 2.99Å
2089	H	30	Very low	28.3	Very low	174 Å²	174	117 Å²	117	81%	0.806	60%	0.598	S	S	*	*			trans	85.9	102.8	176.8	-59.1	-81.5	0	0	0	112.9
2090	R	25	Very low	28	Very low	178 Å²	178	121.6 Å²	121.6	67%	0.672	63%	0.627	S	S	*	*			cis	59	96.3	32.6	-44.2	-170.1	-153.6	-163.5	13.2	115	D2088	D2088-R2090 WeakPolarHBondContact OD1-CG 3.47Å; D2088-R2090 IonicContact OD1-NE 3.62Å; D2088-R2090 PolarHBondContact OD1-NE 2.66Å; D2088-R2090 IonicContact OD2-CZ 2.86Å; D2088-R2090 VanDerWaalsContact OD2-CZ 3.3Å; D2088-R2090 IonicContact OD2-NE 3.7Å; D2088-R2090 PolarHBondContact OD2-NE 2.79Å; D2088-R2090 IonicContact OD2-NH2 2.79Å; D2088-R2090 PolarHBondContact OD2-NH2 2.99Å
2091	R	27.1	Very low	27.8	Very low	220 Å²	220	125.6 Å²	125.6	83%	0.83	65%	0.649	S	S	*	*				-177.1	169.8	92.1	-95.4	-175.2	-174.9	-165.4	3.4	110.3
2092	Y	25.4	Very low	27.4	Very low	178 Å²	178	125.9 Å²	125.9	70%	0.698	65%	0.651	S	S	*	*			trans	-14.9	134.8	161.4	-57.6	-97.4	0	0	0	116
2093	T	26	Very low	27.5	Very low	103 Å²	103	127 Å²	127	63%	0.632	65%	0.653	S	S	*	*			cis	-121.5	-155.6	3.6	48.7	0	0	0	0	110.1
2094	H	27	Very low	27.5	Very low	146 Å²	146	128.1 Å²	128.1	68%	0.676	65%	0.652	S	S	*	*			cis	-146.9	160.2	-0.2	-97.6	-47	0	0	0	106.2
2095	T	24.7	Very low	27.6	Very low	57 Å²	57	128 Å²	128	35%	0.35	66%	0.656	S	S	.	*			cis	75.7	112.1	11.4	81.9	0	0	0	0	116.8	S1875	S1875-T2095 PolarHBondContact N-O 3.02Å
2096	S	27.5	Very low	27.5	Very low	51 Å²	51	128.5 Å²	128.5	36%	0.357	65%	0.652	S	S	.	*			cis	-163.5	-153.9	15.4	58.6	0	0	0	0	110.1	V1874 S1875 S1876	V1874-S2096 PolarHBondContact O-N 3.23Å; S1875-S2096 WeakPolarHBondContact CA-OG 3.19Å; S1875-S2096 PolarHBondContact N-OG 3.41Å; S1876-S2096 PolarHBondContact N-OG 2.89Å; S1876-S2096 WeakPolarHBondContact O-CB 3.44Å; S1876-S2096 PolarHBondContact O-OG 2.78Å
2097	L	27.2	Very low	27.4	Very low	116 Å²	116	130.1 Å²	130.1	61%	0.607	66%	0.656	S	S	*	*			cis	-149.2	-165.3	0.5	-138.6	160.5	0	0	0	107
2098	S	23	Very low	27.3	Very low	84 Å²	84	130.4 Å²	130.4	59%	0.587	66%	0.661	S	S	*	*			trans	-75	152.5	164.7	53.7	0	0	0	0	111.9
2099	T	24.3	Very low	27.3	Very low	131 Å²	131	133.1 Å²	133.1	80%	0.804	68%	0.676	S	S	*	*			trans	71.7	148.6	176.1	77	0	0	0	0	114.4
2100	T	25.5	Very low	27.3	Very low	129 Å²	129	131 Å²	131	79%	0.791	67%	0.67	S	S	*	*			cis	-129.3	172.1	13.5	45.6	0	0	0	0	114.7
2101	N	26.8	Very low	27.5	Very low	151 Å²	151	126.8 Å²	126.8	81%	0.807	67%	0.668	S	S	*	*			trans	-53.4	163.4	178.2	-50.5	-21.1	0	0	0	116.8
2102	N	28.5	Very low	27.6	Very low	141 Å²	141	123.3 Å²	123.3	75%	0.754	66%	0.664	S	S	*	*			trans	-18.9	138	133.6	-68.7	17.1	0	0	0	113.9
2103	N	30.7	Very low	27.7	Very low	141 Å²	141	120.8 Å²	120.8	75%	0.754	66%	0.663	S	S	*	*			cis	-149.2	178.6	9.1	-86.9	-27	0	0	0	110.6
2104	H	28.5	Very low	27.9	Very low	176 Å²	176	122.8 Å²	122.8	82%	0.815	67%	0.665	S	S	*	*			trans	-46.6	152.2	147.6	-71.5	-104.3	0	0	0	110.4
2105	V	30.8	Very low	28.1	Very low	119 Å²	119	121.9 Å²	121.9	72%	0.721	66%	0.664	S	S	*	*				-159.8	137.7	55.9	160.1	0	0	0	0	110.3
2106	N	29.4	Very low	28.2	Very low	98 Å²	98	126.1 Å²	126.1	52%	0.524	68%	0.684	S	S	.	*			trans	46.7	120.7	152.1	-63	32.8	0	0	0	121.4
2107	E	29.4	Very low	28.6	Very low	143 Å²	143	128.3 Å²	128.3	67%	0.668	70%	0.698	S	S	*	*				89.5	150.7	91.5	-71.8	172.4	157.3	0	0	113.3
2108	M	28.2	Very low	28.6	Very low	130 Å²	130	132 Å²	132	64%	0.64	71%	0.709	S	S	*	*			cis	-154.7	145.9	1.2	-134.9	-176.6	-88.8	0	0	110.1
2109	N	28.4	Very low	29	Very low	130 Å²	130	136.9 Å²	136.9	70%	0.695	72%	0.722	S	S	*	*			trans	63.6	158.1	155.5	-56.7	-30.9	0	0	0	117.8
2110	N	29.4	Very low	29.4	Very low	130 Å²	130	135.5 Å²	135.5	70%	0.695	72%	0.715	S	S	*	*			cis	-150.3	143	-11.4	-134.6	-31.9	0	0	0	111.9
2111	S	28.9	Very low	29.6	Very low	89 Å²	89	138.9 Å²	138.9	62%	0.622	72%	0.715	S	S	*	*			trans	49	128.4	135.6	-72.1	0	0	0	0	124.2
2112	I	29.1	Very low	29.7	Very low	147 Å²	147	137.8 Å²	137.8	75%	0.754	71%	0.709	S	S	*	*				99.6	131.4	128.7	-73.9	168.4	0	0	0	121.1
2113	N	28.9	Very low	29.8	Very low	124 Å²	124	137.7 Å²	137.7	66%	0.663	71%	0.707	S	S	*	*			trans	82.2	107.7	155.4	-78.3	-19.7	0	0	0	123.7
2114	Q	30.2	Very low	29.5	Very low	145 Å²	145	136.1 Å²	136.1	68%	0.678	71%	0.706	S	S	*	*				105	126.8	110.3	-79.6	176.1	29.3	0	0	123.5
2115	I	31.4	Very low	29.4	Very low	128 Å²	128	135.5 Å²	135.5	66%	0.656	71%	0.708	S	S	*	*			trans	80.4	103.7	134.6	-66.6	168.9	0	0	0	120.1
2116	N	26.6	Very low	29.2	Very low	145 Å²	145	134.9 Å²	134.9	78%	0.775	71%	0.708	S	S	*	*			trans	59.1	162.6	134.5	-74.5	-26.9	0	0	0	122.3
2117	P	34.9	Very low	29	Very low	98 Å²	98	135.4 Å²	135.4	64%	0.636	72%	0.72	S	S	*	*			cis	-141	171.8	-35.9	39	-22.4	0	0	0	115.5
2118	K	28.2	Very low	28.9	Very low	193 Å²	193	135.7 Å²	135.7	84%	0.839	72%	0.724	S	S	*	*			trans	51.1	120.1	145.4	-70.3	167.2	-178.8	178.1	0	121.3
2119	H	29.8	Very low	28.8	Very low	187 Å²	187	135.3 Å²	135.3	87%	0.866	73%	0.725	S	S	*	*				-137.1	147.5	126.3	-107.8	-66.8	0	0	0	108.4
2120	P	33.7	Very low	28.8	Very low	102 Å²	102	135 Å²	135	66%	0.662	72%	0.723	S	S	*	*				-155.1	175.6	115.4	35.4	-15.1	0	0	0	117
2121	Y	30.6	Very low	28.6	Very low	200 Å²	200	135.3 Å²	135.3	78%	0.784	73%	0.725	S	S	*	*			trans	82.4	96.8	158.3	-73.9	-65.9	0	0	0	122.8
2122	N	27.7	Very low	28.8	Very low	128 Å²	128	137.5 Å²	137.5	68%	0.684	73%	0.73	S	S	*	*				73.5	125.4	117.7	-85.8	8.9	0	0	0	125.1
2123	I	30.1	Very low	29	Very low	138 Å²	138	136.2 Å²	136.2	71%	0.708	72%	0.724	S	S	*	*			trans	90.1	107.1	132.2	-67.4	168.7	0	0	0	119.7
2124	C	25.3	Very low	29.2	Very low	109 Å²	109	138.4 Å²	138.4	74%	0.736	73%	0.731	S	S	*	*			trans	65.8	115.4	143.7	-70.6	0	0	0	0	123.4
2125	L	25.5	Very low	29.3	Very low	163 Å²	163	136.1 Å²	136.1	85%	0.853	73%	0.73	S	S	*	*			trans	85.8	144.5	139.7	-67.8	166.2	0	0	0	120.2
2126	S	27.2	Very low	29.4	Very low	105 Å²	105	136.3 Å²	136.3	73%	0.734	73%	0.732	S	S	*	*			trans	60.6	83.2	169.9	34.7	0	0	0	0	118.5
2127	S	26	Very low	29.7	Very low	110 Å²	110	135.2 Å²	135.2	77%	0.769	73%	0.731	S	S	*	*				53.4	139.8	110.7	-53.1	0	0	0	0	122.9
2128	I	26.8	Very low	29.5	Very low	148 Å²	148	137.7 Å²	137.7	76%	0.759	74%	0.738	S	S	*	*			trans	92.7	103.1	145.5	-73.1	161	0	0	0	118.8
2129	N	26.7	Very low	29.6	Very low	122 Å²	122	133.8 Å²	133.8	65%	0.652	74%	0.735	S	S	*	*			trans	77.4	107	131.4	-66.3	17.9	0	0	0	123.4
2130	N	27.2	Very low	29.6	Very low	124 Å²	124	132.1 Å²	132.1	66%	0.663	73%	0.733	S	S	*	*				89.6	142.8	108.4	-69.3	6.8	0	0	0	122
2131	N	25.9	Very low	29.1	Very low	136 Å²	136	135.5 Å²	135.5	73%	0.727	74%	0.742	S	S	*	*			trans	69.1	131.4	153.2	-61.8	1	0	0	0	115.6
2132	N	32	Very low	29	Very low	136 Å²	136	133.6 Å²	133.6	73%	0.727	74%	0.744	S	S	*	*			cis	-155.8	168.6	47.2	-119.8	-21.5	0	0	0	115
2133	N	34.9	Very low	28.9	Very low	119 Å²	119	135.3 Å²	135.3	64%	0.636	75%	0.752	S	S	*	*			trans	75.6	112.8	157.4	-59.5	-5.8	0	0	0	120.6
2134	Q	32.4	Very low	28.8	Very low	171 Å²	171	137.6 Å²	137.6	80%	0.799	76%	0.757	S	S	*	*			trans	66.4	132.1	130	-65.1	161.2	-34.5	0	0	118.6
2135	C	32.6	Very low	29	Very low	97 Å²	97	143 Å²	143	66%	0.655	76%	0.762	S	S	*	*			cis	-152.6	158.1	10.2	-122.3	0	0	0	0	113.6
2136	D	32.5	Very low	29	Very low	132 Å²	132	143.8 Å²	143.8	71%	0.706	76%	0.761	S	S	*	*			trans	64.5	109.2	146.7	-52.2	-28.7	0	0	0	123.9
2137	T	34	Very low	29	Very low	121 Å²	121	143 Å²	143	74%	0.742	76%	0.755	S	S	*	*			trans	81.4	115.8	135.8	59.1	0	0	0	0	123.2
2138	N	30.8	Very low	29.3	Very low	150 Å²	150	144.8 Å²	144.8	80%	0.802	76%	0.755	S	S	*	*			trans	76.3	131.8	135.8	-65.2	-6.8	0	0	0	123.1
2139	S	30.8	Very low	29.5	Very low	111 Å²	111	142.6 Å²	142.6	78%	0.776	75%	0.748	S	S	*	*			trans	68	100	150.3	-62.1	0	0	0	0	120
2140	N	28.6	Very low	29.6	Very low	152 Å²	152	143.8 Å²	143.8	81%	0.813	76%	0.755	S	S	*	*				37.7	160.4	113.7	-101.2	-30.7	0	0	0	122.7
2141	M	24.7	Very low	29.8	Very low	174 Å²	174	144.8 Å²	144.8	86%	0.857	76%	0.76	S	S	*	*	S	Bend	trans	-53.7	157.8	171.1	-51.2	-178.4	-163.2	0	0	112.9
2142	I	27.2	Very low	30	Very low	160 Å²	160	145 Å²	145	82%	0.821	76%	0.76	S	S	*	*			trans	81.1	100.5	-171.7	-49.8	168.6	0	0	0	113
2143	L	26.5	Very low	30.1	Very low	163 Å²	163	143 Å²	143	85%	0.853	76%	0.756	S	S	*	*			trans	-121.6	96.2	161.8	-97.6	168.2	0	0	0	110.9
2144	K	28.3	Very low	29.9	Very low	187 Å²	187	145.5 Å²	145.5	81%	0.813	76%	0.763	S	S	*	*			trans	-87.6	136.4	148.7	-90	-175.8	174.9	177.8	0	107.5
2145	R	28.3	Very low	29.9	Very low	223 Å²	223	143.1 Å²	143.1	84%	0.842	76%	0.76	S	S	*	*			trans	64	146.4	166.5	-63.4	178.6	166.9	-177.2	-5.6	117
2146	H	25.6	Very low	29.9	Very low	179 Å²	179	145.6 Å²	145.6	83%	0.829	77%	0.767	S	S	*	*				-166.7	159.4	109.3	-101.2	-77.4	0	0	0	106.5
2147	S	26.6	Very low	29.8	Very low	87 Å²	87	141.7 Å²	141.7	61%	0.608	76%	0.758	S	S	*	*			cis	-163	-172.3	3.5	38.8	0	0	0	0	110
2148	I	32.4	Very low	29.8	Very low	149 Å²	149	141.8 Å²	141.8	76%	0.764	76%	0.758	S	S	*	*			trans	83.8	121.6	162.2	-59.6	164.9	0	0	0	115.6
2149	T	32	Very low	29.7	Very low	102 Å²	102	146.1 Å²	146.1	63%	0.626	76%	0.764	S	S	*	*			cis	-157.1	139.9	-13.7	23	0	0	0	0	111.1
2150	D	28.7	Very low	29.6	Very low	147 Å²	147	149.6 Å²	149.6	79%	0.786	77%	0.765	S	S	*	*			trans	52.2	133.4	135.6	-44.7	-14.5	0	0	0	122.8
2151	D	31.1	Very low	29.7	Very low	145 Å²	145	146.8 Å²	146.8	78%	0.775	75%	0.754	S	S	*	*			cis	-147.5	-104.8	-20	-173.1	36	0	0	0	111.1
2152	L	30.7	Very low	29.9	Very low	141 Å²	141	145.7 Å²	145.7	74%	0.738	75%	0.751	S	S	*	*			cis	-158.6	156.8	-3.9	-135.8	-162.3	0	0	0	111.3
2153	C	32.9	Very low	30.1	Very low	94 Å²	94	146.2 Å²	146.2	64%	0.635	75%	0.75	S	S	*	*			trans	76.6	117.8	160.1	-86.6	0	0	0	0	122.1
2154	H	30.9	Very low	30.5	Very low	170 Å²	170	147.2 Å²	147.2	79%	0.787	74%	0.744	S	S	*	*			trans	67.4	101.7	162.6	-66.7	-75.1	0	0	0	118.5
2155	V	33.6	Very low	30.7	Very low	122 Å²	122	144.4 Å²	144.4	74%	0.739	74%	0.738	S	S	*	*			cis	73.3	123.7	44.3	-174.6	0	0	0	0	111.7
2156	N	31.4	Very low	30.9	Very low	149 Å²	149	136.8 Å²	136.8	80%	0.797	73%	0.729	S	S	*	*			cis	-148.3	177.5	15.6	-131.2	-4.2	0	0	0	111.1
2157	G	31.8	Very low	31.2	Very low	50 Å²	50	135.5 Å²	135.5	52%	0.515	73%	0.728	S	S	.	*			cis	171	164.1	-2.8	0	0	0	0	0	116.7
2158	T	32.6	Very low	31.5	Very low	122 Å²	122	137.6 Å²	137.6	75%	0.748	73%	0.733	S	S	*	*			trans	61.6	150.2	167.2	66.1	0	0	0	0	116.9
2159	W	28.6	Very low	31.5	Very low	241 Å²	241	136.5 Å²	136.5	91%	0.913	73%	0.729	S	S	*	*			cis	-122.7	170.7	33.7	-81.6	36	0	0	0	116
2160	F	30	Very low	31.4	Very low	184 Å²	184	139 Å²	139	81%	0.807	73%	0.733	S	S	*	*			trans	-135.4	161.3	-172.5	-89.3	-165.3	0	0	0	109.6
2161	T	30.2	Very low	31.6	Very low	94 Å²	94	139.7 Å²	139.7	58%	0.577	73%	0.731	S	S	*	*			cis	-172	152.5	-12.1	28.6	0	0	0	0	109.2
2162	N	28.9	Very low	31.4	Very low	150 Å²	150	141.7 Å²	141.7	80%	0.802	73%	0.729	S	S	*	*			trans	69.1	157.8	158.9	-50.5	-15.5	0	0	0	117.1
2163	E	30.4	Very low	31.2	Very low	171 Å²	171	145.3 Å²	145.3	80%	0.799	73%	0.733	S	S	*	*			cis	-125.9	-157.1	-2.7	-66.7	-174.6	97.2	0	0	109.9
2164	Y	35.1	Very low	30.9	Very low	184 Å²	184	145.8 Å²	145.8	72%	0.722	73%	0.733	S	S	*	*			cis	-155.3	-171.8	0.1	-163.6	-112.1	0	0	0	111.7
2165	N	32.6	Very low	30.7	Very low	128 Å²	128	146.4 Å²	146.4	68%	0.684	74%	0.736	S	S	*	*			trans	-92.5	173.8	-179.6	-50.9	-55.9	0	0	0	113.5
2166	G	32.3	Very low	30.5	Very low	64 Å²	64	145.3 Å²	145.3	66%	0.66	73%	0.731	S	S	*	*			cis	160.5	156.7	-10.3	0	0	0	0	0	115.3
2167	N	33.2	Very low	30.6	Very low	151 Å²	151	148.5 Å²	148.5	81%	0.807	73%	0.734	S	S	*	*			trans	68.4	107.4	149.3	-64.2	21.7	0	0	0	124.9
2168	D	32.2	Very low	30.4	Very low	131 Å²	131	152.2 Å²	152.2	70%	0.701	74%	0.742	S	S	*	*				77.3	120.6	109	-72	24.2	0	0	0	128
2169	N	32.4	Very low	30.4	Very low	127 Å²	127	149.5 Å²	149.5	68%	0.679	73%	0.725	S	S	*	*				85.4	96.2	126.1	-71.2	-41.9	0	0	0	125.8
2170	H	30.6	Very low	30.5	Very low	154 Å²	154	140.5 Å²	140.5	71%	0.713	70%	0.695	S	S	*	*			trans	22.8	122.9	135.4	-67.6	-74.6	0	0	0	123.9
2171	H	31.2	Very low	30.7	Very low	162 Å²	162	135.9 Å²	135.9	75%	0.75	68%	0.676	S	S	*	*				179.6	116.9	96.6	-108.3	-96.4	0	0	0	113.7
2172	Y	28.7	Very low	30.8	Very low	186 Å²	186	136.9 Å²	136.9	73%	0.729	68%	0.677	S	S	*	*			trans	41.4	124.8	130.6	-80	-69.7	0	0	0	120.9
2173	W	26.5	Very low	31	Very low	218 Å²	218	134.3 Å²	134.3	83%	0.826	67%	0.671	S	S	*	*			cis	-146.2	152	26.7	-104.6	50.8	0	0	0	113.9
2174	T	25.6	Very low	31.1	Very low	104 Å²	104	133.5 Å²	133.5	64%	0.638	67%	0.67	S	S	*	*			trans	53.7	105.5	149.6	58.5	0	0	0	0	124.5
2175	H	26.3	Very low	31	Very low	183 Å²	183	127.8 Å²	127.8	85%	0.847	67%	0.667	S	S	*	*				43.7	160.8	128	-72.4	-53.6	0	0	0	124.1
2176	P	31	Very low	31	Very low	99 Å²	99	128.1 Å²	128.1	64%	0.643	67%	0.669	S	S	*	*			cis	-136.9	-174	7.5	25.2	1.8	0	0	0	117.8
2177	Y	33	Very low	31.2	Very low	215 Å²	215	132.5 Å²	132.5	84%	0.843	67%	0.672	S	S	*	*			trans	74.2	161.9	165.4	-65.2	-87.4	0	0	0	121.8
2178	N	27.5	Very low	31.2	Very low	128 Å²	128	132 Å²	132	68%	0.684	67%	0.668	S	S	*	*				-170.4	149.3	-64.6	-140.5	5.7	0	0	0	114.1
2179	V	32.3	Very low	31.7	Very low	66 Å²	66	130.2 Å²	130.2	40%	0.4	66%	0.664	S	S	.	*			trans	53.4	146.5	136.8	151.8	0	0	0	0	121.9	P2202 S2203	V2179-P2202 HydrophobicContact CG2-CG 4.04Å; V2179-S2203 WeakPolarHBondContact CA-O 3.47Å
2180	N	30.5	Very low	31.7	Very low	52 Å²	52	129.9 Å²	129.9	28%	0.278	66%	0.662	S	S	.	*			cis	-151.7	142.8	-3.2	-132.1	-16.2	0	0	0	112.2	S2203 S2204 S2205 S2206	N2180-S2203 WeakPolarHBondContact CA-O 3.17Å; N2180-S2203 PolarHBondContact OD1-N 3.38Å; N2180-S2203 PolarHBondContact OD1-O 3.01Å; N2180-S2203 PolarHBondContact OD1-OG 2.74Å; N2180-S2204 VanDerWaalsContact C-CA 3.42Å; N2180-S2204 VanDerWaalsContact CA-CA 3.48Å; N2180-S2205 VanDerWaalsContact C-N 3.27Å; N2180-S2205 CarbonylContact O-C 3.6Å; N2180-S2205 VanDerWaalsContact O-C 3.26Å; N2180-S2205 WeakPolarHBondContact O-CA 3.32Å; N2180-S2205 PolarHBondContact O-N 3.12Å; N2180-S2206 PolarHBondContact O-N 3.23Å
2181	Q	34	Very low	31.7	Very low	87 Å²	87	133 Å²	133	41%	0.407	67%	0.667	S	S	.	*			trans	88	146.2	153.5	-75.9	163	24.2	0	0	129.8	S2203 S2204 S2205 S2206	Q2181-S2203 WeakPolarHBondContact CG-OG 3.31Å; Q2181-S2203 PolarHBondContact N-OG 3.41Å; Q2181-S2203 VanDerWaalsContact N-OG 3.08Å; Q2181-S2204 CarbonylContact C-O 3.12Å; Q2181-S2204 WeakPolarHBondContact CA-O 3.17Å; Q2181-S2204 PolarHBondContact N-O 2.86Å; Q2181-S2205 VanDerWaalsContact N-N 3.11Å; Q2181-S2205 CarbonylContact O-C 3.29Å; Q2181-S2205 VanDerWaalsContact O-C 3.29Å; Q2181-S2205 PolarHBondContact O-N 2.88Å; Q2181-S2206 WeakPolarHBondContact O-CB 3.35Å; Q2181-S2206 PolarHBondContact O-N 2.76Å; Q2181-S2206 PolarHBondContact O-OG 2.91Å
2182	L	33	Very low	31.7	Very low	115 Å²	115	130.9 Å²	130.9	60%	0.602	66%	0.661	S	S	*	*			trans	69.3	143.6	144.6	-65.4	158.2	0	0	0	120
2183	S	32.9	Very low	31.8	Very low	96 Å²	96	128.4 Å²	128.4	67%	0.671	66%	0.66	S	S	*	*			cis	-167.7	171.2	12.6	-116.8	0	0	0	0	111
2184	I	33	Very low	32	Very low	154 Å²	154	125.2 Å²	125.2	79%	0.79	65%	0.652	S	S	*	*			cis	-175	149.1	-34.3	-168.5	166.4	0	0	0	110.5
2185	G	32.1	Very low	32.1	Very low	64 Å²	64	124.8 Å²	124.8	66%	0.66	65%	0.654	S	S	*	*			trans	94.9	140.7	168.2	0	0	0	0	0	115.5
2186	N	33.4	Very low	32.3	Very low	134 Å²	134	122.7 Å²	122.7	72%	0.717	65%	0.654	S	S	*	*			cis	-153.4	-176.8	2.3	-102.1	7.1	0	0	0	107.9
2187	Q	37	Very low	32.4	Very low	156 Å²	156	123 Å²	123	73%	0.729	65%	0.649	S	S	*	*			cis	-150.9	144.3	5.6	-120.7	138.6	-112.8	0	0	105.5
2188	I	32.5	Very low	32.3	Very low	140 Å²	140	118 Å²	118	72%	0.718	64%	0.641	S	S	*	*				88	125.2	56.3	-76.2	174.8	0	0	0	113.5
2189	P	42.3	Very low	32.4	Very low	94 Å²	94	114.7 Å²	114.7	61%	0.61	63%	0.628	S	S	*	*				-148.7	-160	-67.9	31.4	-4.8	0	0	0	114.6
2190	N	32.4	Very low	32.4	Very low	121 Å²	121	115.8 Å²	115.8	65%	0.647	64%	0.639	S	S	*	*			trans	103.4	132	147.7	-65.2	-18.8	0	0	0	118.4
2191	W	31.1	Very low	32.6	Very low	218 Å²	218	118.7 Å²	118.7	83%	0.826	66%	0.663	S	S	*	*			cis	-141.1	-123.1	8.5	-132.1	-5.9	0	0	0	117.8
2192	L	31.6	Very low	33.2	Very low	119 Å²	119	119.4 Å²	119.4	62%	0.623	68%	0.675	S	S	*	*			trans	-150.4	170.9	-158	-65.9	172.3	0	0	0	110
2193	N	29.9	Very low	33.7	Very low	133 Å²	133	116.4 Å²	116.4	71%	0.711	66%	0.664	S	S	*	*			cis	-127.6	178	11	-82.9	-70.9	0	0	0	110.1
2194	K	29.9	Very low	34.4	Very low	151 Å²	151	115.5 Å²	115.5	66%	0.657	66%	0.658	S	S	*	*			cis	75.7	146.9	26	-74.9	-179	174.4	-178.2	0	115.3	L2197	K2194-L2197 HydrophobicContact CD-CD1 4.22Å
2195	S	29.2	Very low	34.5	Very low	96 Å²	96	111.6 Å²	111.6	67%	0.671	64%	0.644	S	S	*	*			cis	-138.4	170.8	11.6	63.2	0	0	0	0	111
2196	V	29.6	Very low	34.4	Very low	139 Å²	139	111.6 Å²	111.6	84%	0.842	63%	0.634	S	S	*	*	S	Bend		-132.5	156.5	68.2	-177.1	0	0	0	0	111.4
2197	L	34.1	Very low	34.2	Very low	105 Å²	105	116 Å²	116	55%	0.55	64%	0.64	S	S	.	*			trans	-134.1	-177.8	-166.1	-59	174.6	0	0	0	111.6	K2194	K2194-L2197 HydrophobicContact CD-CD1 4.22Å
2198	T	30.7	Very low	33.8	Very low	110 Å²	110	115.5 Å²	115.5	68%	0.675	64%	0.642	S	S	*	*			cis	-167.1	170.9	24.3	-28.5	0	0	0	0	112.7
2199	S	29.6	Very low	33.5	Very low	59 Å²	59	114.8 Å²	114.8	41%	0.413	64%	0.644	S	S	.	*			trans	77.6	140.4	142	61.7	0	0	0	0	121.3	Q2254 I2255	S2199-Q2254 VanDerWaalsContact CB-C 3.43Å; S2199-Q2254 VanDerWaalsContact CB-O 3.28Å; S2199-Q2254 WeakPolarHBondContact CB-O 3.19Å; S2199-Q2254 WeakPolarHBondContact OG-CA 2.97Å; S2199-Q2254 PolarHBondContact OG-N 2.63Å; S2199-Q2254 PolarHBondContact OG-O 2.63Å; S2199-I2255 PolarHBondContact OG-N 3.34Å
2200	S	31.3	Very low	32.8	Very low	88 Å²	88	115.1 Å²	115.1	62%	0.615	65%	0.649	S	S	*	*			cis	-162.4	-179.7	5.8	46	0	0	0	0	109.2	Q2254	S2200-Q2254 WeakPolarHBondContact CB-O 3.29Å; S2200-Q2254 PolarHBondContact OG-O 2.88Å
2201	S	35	Very low	32.7	Very low	113 Å²	113	115.4 Å²	115.4	79%	0.79	66%	0.655	S	S	*	*			cis	-172.6	-167.7	-19.5	-88.5	0	0	0	0	107
2202	P	47.8	Very low	32.8	Very low	102 Å²	102	110.2 Å²	110.2	66%	0.662	65%	0.652	S	S	*	*			cis	-128.9	-120.1	-3.2	42.4	-19.9	0	0	0	114.6	V2179	V2179-P2202 HydrophobicContact CG2-CG 4.04Å
2203	S	43.2	Very low	32.7	Very low	52 Å²	52	111.4 Å²	111.4	36%	0.364	66%	0.659	S	S	.	*			trans	-159.4	-169.6	-177.9	80.3	0	0	0	0	115.7	V2179 N2180 Q2181	V2179-S2203 WeakPolarHBondContact CA-O 3.47Å; N2180-S2203 WeakPolarHBondContact CA-O 3.17Å; N2180-S2203 PolarHBondContact OD1-N 3.38Å; N2180-S2203 PolarHBondContact OD1-O 3.01Å; N2180-S2203 PolarHBondContact OD1-OG 2.74Å; Q2181-S2203 WeakPolarHBondContact CG-OG 3.31Å; Q2181-S2203 PolarHBondContact N-OG 3.41Å; Q2181-S2203 VanDerWaalsContact N-OG 3.08Å
2204	S	46	Very low	32.8	Very low	77 Å²	77	109.7 Å²	109.7	54%	0.538	65%	0.653	S	S	.	*			trans	-151.1	151.2	175.3	-74.5	0	0	0	0	111.5	N2180 Q2181	N2180-S2204 VanDerWaalsContact C-CA 3.42Å; N2180-S2204 VanDerWaalsContact CA-CA 3.48Å; Q2181-S2204 CarbonylContact C-O 3.12Å; Q2181-S2204 WeakPolarHBondContact CA-O 3.17Å; Q2181-S2204 PolarHBondContact N-O 2.86Å
2205	S	36.2	Very low	32.8	Very low	72 Å²	72	111.1 Å²	111.1	50%	0.503	66%	0.662	S	S	.	*			cis	-161.7	93.9	-4.8	50.1	0	0	0	0	113.8	N2180 Q2181	N2180-S2205 VanDerWaalsContact C-N 3.27Å; N2180-S2205 CarbonylContact O-C 3.6Å; N2180-S2205 VanDerWaalsContact O-C 3.26Å; N2180-S2205 WeakPolarHBondContact O-CA 3.32Å; N2180-S2205 PolarHBondContact O-N 3.12Å; Q2181-S2205 VanDerWaalsContact N-N 3.11Å; Q2181-S2205 CarbonylContact O-C 3.29Å; Q2181-S2205 VanDerWaalsContact O-C 3.29Å; Q2181-S2205 PolarHBondContact O-N 2.88Å
2206	S	30.6	Very low	32.9	Very low	64 Å²	64	110 Å²	110	45%	0.448	66%	0.659	S	S	.	*			trans	-164.5	173.1	179	69.6	0	0	0	0	120.1	N2180 Q2181	N2180-S2206 PolarHBondContact O-N 3.23Å; Q2181-S2206 WeakPolarHBondContact O-CB 3.35Å; Q2181-S2206 PolarHBondContact O-N 2.76Å; Q2181-S2206 PolarHBondContact O-OG 2.91Å
2207	R	29.3	Very low	33	Very low	227 Å²	227	110.7 Å²	110.7	86%	0.857	66%	0.656	S	S	*	*			trans	39	94.3	170.2	-74.1	-162.8	-178	-165.5	2.4	124.8
2208	L	27	Very low	33	Very low	145 Å²	145	115.6 Å²	115.6	76%	0.759	67%	0.667	S	S	*	*				66.7	120.5	122.1	-65.5	171.6	0	0	0	124.7
2209	T	26.7	Very low	33.1	Very low	125 Å²	125	115.4 Å²	115.4	77%	0.767	67%	0.666	S	S	*	*			trans	78	135.3	139.7	48.8	0	0	0	0	124.2
2210	S	28.1	Very low	33.1	Very low	102 Å²	102	119.8 Å²	119.8	71%	0.713	68%	0.68	S	S	*	*			trans	78.9	97.1	153.8	51.4	0	0	0	0	123.5
2211	T	30.5	Very low	33.1	Very low	127 Å²	127	121.9 Å²	121.9	78%	0.779	68%	0.684	S	S	*	*				62.3	130.5	123.8	55.3	0	0	0	0	125
2212	S	31.5	Very low	33	Very low	108 Å²	108	121.7 Å²	121.7	76%	0.755	68%	0.682	S	S	*	*			trans	76.3	151.6	141.6	72.5	0	0	0	0	119.4
2213	L	31.2	Very low	32.1	Very low	145 Å²	145	121.7 Å²	121.7	76%	0.759	69%	0.685	S	S	*	*			cis	-154.7	156.1	6.3	-155.3	73.4	0	0	0	112.3
2214	T	30.7	Very low	31.4	Very low	97 Å²	97	125.9 Å²	125.9	60%	0.595	70%	0.703	S	S	*	*			trans	45.2	114.7	151.6	45.5	0	0	0	0	121.4
2215	E	30.4	Very low	30.7	Very low	181 Å²	181	126.9 Å²	126.9	85%	0.846	71%	0.711	S	S	*	*				104.4	148	91.9	-83.4	-178.7	137.7	0	0	113
2216	A	31.3	Very low	30.4	Very low	73 Å²	73	131 Å²	131	60%	0.603	73%	0.726	S	S	*	*			cis	-161.7	162.2	-13.4	0	0	0	0	0	111.7
2217	I	32.8	Very low	30.2	Very low	152 Å²	152	133.1 Å²	133.1	78%	0.779	74%	0.739	S	S	*	*			trans	67.1	138.4	157	-66.3	159.5	0	0	0	117.9
2218	R	32.1	Very low	30.2	Very low	208 Å²	208	128.2 Å²	128.2	79%	0.785	73%	0.734	S	S	*	*			cis	-164.7	135.5	-19	-106.2	-173.5	-172.3	166.1	3.6	110.2
2219	T	33.4	Very low	30.3	Very low	107 Å²	107	127 Å²	127	66%	0.656	73%	0.733	S	S	*	*			trans	42.2	145.7	134.9	67.8	0	0	0	0	122.9
2220	H	30.5	Very low	30.2	Very low	151 Å²	151	126.1 Å²	126.1	70%	0.699	73%	0.732	S	S	*	*			cis	-174.7	153.4	-5.1	-113.5	-54.9	0	0	0	112.7
2221	N	30.8	Very low	30.1	Very low	132 Å²	132	129.4 Å²	129.4	71%	0.706	73%	0.729	S	S	*	*			trans	66.6	165.7	141.7	-63.5	-7.1	0	0	0	122.1
2222	S	32.2	Very low	29.9	Very low	108 Å²	108	131.3 Å²	131.3	76%	0.755	73%	0.727	S	S	*	*			cis	175.9	153	-47.9	57.7	0	0	0	0	110
2223	S	29.1	Very low	29.5	Very low	103 Å²	103	131.9 Å²	131.9	72%	0.72	72%	0.721	S	S	*	*			trans	-113.9	-165.9	-179.8	62.9	0	0	0	0	113.1
2224	D	28.8	Very low	29.2	Very low	139 Å²	139	130.9 Å²	130.9	74%	0.743	72%	0.717	S	S	*	*			cis	-164.1	-173.4	16.1	-141.7	-68.8	0	0	0	113.5
2225	S	30.9	Very low	29.1	Very low	99 Å²	99	131.7 Å²	131.7	69%	0.692	73%	0.726	S	S	*	*			trans	78.9	152.6	156.2	85.8	0	0	0	0	118.6
2226	L	29.5	Very low	29.1	Very low	158 Å²	158	129.9 Å²	129.9	83%	0.827	72%	0.721	S	S	*	*			cis	-163.8	155.9	-3	-130.2	172.4	0	0	0	113.3
2227	C	27.3	Very low	28.9	Very low	108 Å²	108	132 Å²	132	73%	0.73	72%	0.722	S	S	*	*			trans	97.1	147.9	140.4	-138.2	0	0	0	0	123.3
2228	V	29.5	Very low	28.8	Very low	124 Å²	124	132 Å²	132	75%	0.752	71%	0.713	S	S	*	*			trans	83.5	132.9	164.2	-176.3	0	0	0	0	118.8
2229	T	28.6	Very low	28.4	Very low	119 Å²	119	133.5 Å²	133.5	73%	0.73	72%	0.721	S	S	*	*			cis	-169.9	154.8	-35.8	45.2	0	0	0	0	111.3
2230	S	25.5	Very low	28.2	Very low	108 Å²	108	132.3 Å²	132.3	76%	0.755	71%	0.708	S	S	*	*			trans	123.8	132.4	133.9	81.4	0	0	0	0	121
2231	R	25.3	Very low	28.1	Very low	170 Å²	170	130 Å²	130	64%	0.642	70%	0.697	S	S	*	*			trans	76.6	131.5	151	-85.5	-175.7	174.5	-161.5	0	123.9	D1182	D1182-R2231 IonicContact OD1-CZ 3.02Å; D1182-R2231 IonicContact OD1-NH1 3.41Å; D1182-R2231 PolarHBondContact OD1-NH1 2.97Å; D1182-R2231 IonicContact OD1-NH2 2.67Å; D1182-R2231 PolarHBondContact OD1-NH2 3.27Å; D1182-R2231 IonicContact OD2-NH1 2.9Å
2232	F	26.9	Very low	28.1	Very low	168 Å²	168	131.7 Å²	131.7	74%	0.737	70%	0.695	S	S	*	*			trans	95.6	104.2	144.8	-90.8	-66	0	0	0	122.5
2233	N	23.7	Very low	28	Very low	119 Å²	119	129.6 Å²	129.6	64%	0.636	68%	0.678	S	S	*	*			trans	64	129.6	143.8	-86.5	48.5	0	0	0	124.6
2234	D	24.3	Very low	28	Very low	125 Å²	125	132 Å²	132	67%	0.668	68%	0.683	S	S	*	*			trans	66.2	125.4	141.3	-51.6	-24.9	0	0	0	121.3
2235	S	28.2	Very low	27.9	Very low	113 Å²	113	130.6 Å²	130.6	79%	0.79	68%	0.682	S	S	*	*			trans	63.8	132.6	170.3	32.9	0	0	0	0	117.2
2236	I	30.1	Very low	27.8	Very low	144 Å²	144	129 Å²	129	74%	0.738	67%	0.671	S	S	*	*			cis	-157	149	-1.9	-129.9	162	0	0	0	110.1
2237	N	27.9	Very low	27.8	Very low	116 Å²	116	128.5 Å²	128.5	62%	0.62	66%	0.664	S	S	*	*			trans	62.1	163.1	169.5	-63.5	1.4	0	0	0	117
2238	Y	29.4	Very low	28.1	Very low	152 Å²	152	127.5 Å²	127.5	60%	0.596	66%	0.656	S	S	*	*			cis	-136.5	155.8	0.9	-105.2	-59.4	0	0	0	111.5	Q2240	Y2238-Q2240 HydrophobicContact CD1-CB 4.17Å; Y2238-Q2240 HydrophobicContact CD1-CG 3.59Å; Y2238-Q2240 VanDerWaalsContact CD1-OE1 3.29Å; Y2238-Q2240 HydrophobicContact CE1-CG 3.51Å; Y2238-Q2240 HydrophobicContact CG-CG 4.31Å; Y2238-Q2240 VanDerWaalsContact CG-OE1 3.27Å; Y2238-Q2240 VanDerWaalsContact CZ-CD 3.41Å
2239	Y	25.6	Very low	28.2	Very low	240 Å²	240	127.2 Å²	127.2	94%	0.941	66%	0.655	S	S	*	*			trans	-136.2	84.8	133.7	-128	-79.3	0	0	0	108.9
2240	Q	27.9	Very low	28.3	Very low	82 Å²	82	128.7 Å²	128.7	38%	0.383	66%	0.657	S	S	.	*			trans	-66.3	171.1	151.3	-90.8	161.4	-50.8	0	0	109	Y2238	Y2238-Q2240 HydrophobicContact CD1-CB 4.17Å; Y2238-Q2240 HydrophobicContact CD1-CG 3.59Å; Y2238-Q2240 VanDerWaalsContact CD1-OE1 3.29Å; Y2238-Q2240 HydrophobicContact CE1-CG 3.51Å; Y2238-Q2240 HydrophobicContact CG-CG 4.31Å; Y2238-Q2240 VanDerWaalsContact CG-OE1 3.27Å; Y2238-Q2240 VanDerWaalsContact CZ-CD 3.41Å
2241	E	28.2	Very low	28.4	Very low	103 Å²	103	130.2 Å²	130.2	48%	0.481	66%	0.656	S	S	.	*			cis	-143.2	-162.4	0.6	-131.3	143.6	-158.2	0	0	106.3
2242	Y	30.7	Very low	28.7	Very low	167 Å²	167	126.6 Å²	126.6	66%	0.655	66%	0.657	S	S	*	*				178.9	145.9	60.6	-96.4	-96.8	0	0	0	106.5
2243	T	30.8	Very low	28.8	Very low	65 Å²	65	125.6 Å²	125.6	40%	0.399	65%	0.653	S	S	.	*			cis	-165.5	151.3	-11.9	9.6	0	0	0	0	110.9	C2246	T2243-C2246 WeakPolarHBondContact CG2-SG 3.31Å
2244	N	28.4	Very low	29.2	Very low	154 Å²	154	124.5 Å²	124.5	82%	0.824	64%	0.644	S	S	*	*	S	Bend		178.8	108.5	126.8	-89.4	-17.8	0	0	0	106.5
2245	C	27.4	Very low	29.5	Very low	108 Å²	108	123.4 Å²	123.4	73%	0.73	64%	0.637	S	S	*	*			cis	-135.8	143.6	1	-81.5	0	0	0	0	107.9
2246	C	29.1	Very low	29.6	Very low	67 Å²	67	124 Å²	124	45%	0.453	63%	0.631	S	S	.	*				57.5	134.7	71.2	-67.8	0	0	0	0	113.7	T2243	T2243-C2246 WeakPolarHBondContact CG2-SG 3.31Å
2247	Q	28.6	Very low	29.7	Very low	147 Å²	147	125.7 Å²	125.7	69%	0.687	64%	0.636	S	S	*	*			cis	-156.8	177	-0.7	-103.5	-86.5	-65.8	0	0	108.8
2248	P	34.3	Very low	30	Very low	87 Å²	87	124.5 Å²	124.5	57%	0.565	64%	0.637	S	S	*	*			trans	-116	-148.9	-155.1	45.5	-38.3	0	0	0	114.6
2249	T	30.8	Very low	30.1	Very low	117 Å²	117	122 Å²	122	72%	0.718	64%	0.641	S	S	*	*			trans	74.9	127.2	158.1	36.8	0	0	0	0	120.6
2250	I	31.4	Very low	30.4	Very low	150 Å²	150	117.8 Å²	117.8	77%	0.769	63%	0.634	S	S	*	*			trans	21.9	114.1	131.3	-55.8	176.7	0	0	0	116.4	S2252	I2250-S2252 PolarHBondContact O-N 3.45Å
2251	N	27.6	Very low	30.5	Very low	141 Å²	141	118.8 Å²	118.8	75%	0.754	65%	0.651	S	S	*	*			trans	10.6	99.2	141.6	-68.8	-4.7	0	0	0	116.3
2252	S	31.5	Very low	30.7	Very low	94 Å²	94	118.6 Å²	118.6	66%	0.657	66%	0.661	S	S	*	*				93.3	166.4	92.5	80.6	0	0	0	0	113.3	I2250	I2250-S2252 PolarHBondContact O-N 3.45Å
2253	F	29.9	Very low	30.7	Very low	147 Å²	147	116.2 Å²	116.2	65%	0.645	66%	0.663	S	S	*	*			cis	-152.7	135.5	27	-154.6	-120.1	0	0	0	109.3
2254	Q	30.9	Very low	30.7	Very low	95 Å²	95	121.5 Å²	121.5	44%	0.444	69%	0.686	S	S	.	*			trans	68.5	163.3	141.2	-81.4	-166	-4.3	0	0	119.2	S2199 S2200	S2199-Q2254 VanDerWaalsContact CB-C 3.43Å; S2199-Q2254 VanDerWaalsContact CB-O 3.28Å; S2199-Q2254 WeakPolarHBondContact CB-O 3.19Å; S2199-Q2254 WeakPolarHBondContact OG-CA 2.97Å; S2199-Q2254 PolarHBondContact OG-N 2.63Å; S2199-Q2254 PolarHBondContact OG-O 2.63Å; S2200-Q2254 WeakPolarHBondContact CB-O 3.29Å; S2200-Q2254 PolarHBondContact OG-O 2.88Å
2255	I	31.1	Very low	30.7	Very low	102 Å²	102	118.3 Å²	118.3	52%	0.523	68%	0.676	S	S	.	*			cis	-154.4	153.1	16.8	-143.1	171.6	0	0	0	115.7	S2199	S2199-I2255 PolarHBondContact OG-N 3.34Å
2256	N	30.2	Very low	30.8	Very low	125 Å²	125	118.6 Å²	118.6	67%	0.668	67%	0.674	S	S	*	*			trans	54.8	170.5	153.3	-64.6	-24.2	0	0	0	119.6
2257	Q	32.8	Very low	30.9	Very low	181 Å²	181	124.2 Å²	124.2	85%	0.846	69%	0.691	S	S	*	*			cis	-131	154.1	9.1	-77.3	179.4	6.7	0	0	110.2
2258	S	32.7	Very low	31	Very low	90 Å²	90	123 Å²	123	63%	0.629	69%	0.693	S	S	*	*			cis	-169.4	172.5	-4.7	48.8	0	0	0	0	111.7
2259	S	32.7	Very low	30.8	Very low	99 Å²	99	124 Å²	124	69%	0.692	70%	0.702	S	S	*	*			trans	67.5	148.4	146.4	48.1	0	0	0	0	120.6
2260	L	31.3	Very low	30.8	Very low	152 Å²	152	122.6 Å²	122.6	80%	0.796	70%	0.703	S	S	*	*			cis	-170.4	150.8	-12.2	-111.2	168.3	0	0	0	109.9
2261	S	30.7	Very low	30.9	Very low	104 Å²	104	124.1 Å²	124.1	73%	0.727	70%	0.704	S	S	*	*			trans	55.4	150.9	151.6	51.9	0	0	0	0	121.8
2262	S	31.2	Very low	31	Very low	99 Å²	99	123.6 Å²	123.6	69%	0.692	70%	0.7	S	S	*	*			cis	-172.9	158.1	-8	47.9	0	0	0	0	114.3
2263	T	31.8	Very low	31	Very low	116 Å²	116	127.5 Å²	127.5	71%	0.712	71%	0.708	S	S	*	*			trans	69.1	124.2	144	46.4	0	0	0	0	125.3
2264	M	29.9	Very low	31	Very low	177 Å²	177	125.5 Å²	125.5	87%	0.872	71%	0.713	S	S	*	*			trans	68.3	162.9	141	-67.1	-169.8	-176.7	0	0	121.6
2265	S	28.9	Very low	31	Very low	87 Å²	87	128.5 Å²	128.5	61%	0.608	72%	0.724	S	S	*	*			cis	-172.4	154.4	-41.9	65.7	0	0	0	0	113.7
2266	T	30.6	Very low	31	Very low	113 Å²	113	128 Å²	128	69%	0.693	72%	0.722	S	S	*	*			trans	78.6	141.3	159.1	74.7	0	0	0	0	122.9
2267	K	30.4	Very low	30.8	Very low	186 Å²	186	124.5 Å²	124.5	81%	0.809	71%	0.707	S	S	*	*			trans	70.1	147.3	152	-69.4	163	179.9	176.6	0	118.1
2268	T	30.8	Very low	30.5	Very low	120 Å²	120	123 Å²	123	74%	0.736	69%	0.694	S	S	*	*			cis	-161.4	137.1	-5.1	6.8	0	0	0	0	114
2269	S	29.5	Very low	30.2	Very low	108 Å²	108	121.7 Å²	121.7	76%	0.755	68%	0.683	S	S	*	*			trans	50.6	144.6	140.7	67.1	0	0	0	0	125.6
2270	A	31.2	Very low	30.1	Very low	89 Å²	89	118.5 Å²	118.5	74%	0.736	66%	0.659	S	S	*	*			trans	79.4	147.3	151.6	0	0	0	0	0	118.7
2271	K	33.2	Very low	29.9	Very low	181 Å²	181	115.1 Å²	115.1	79%	0.787	64%	0.641	S	S	*	*			cis	-165.2	148.1	-4.8	-117	176.3	178.4	-178.7	0	111.4
2272	L	30.7	Very low	29.9	Very low	130 Å²	130	112.1 Å²	112.1	68%	0.681	62%	0.617	S	S	*	*			trans	39	149.3	139.4	-57.1	169.1	0	0	0	121.6
2273	Q	31	Very low	29.9	Very low	176 Å²	176	113.4 Å²	113.4	82%	0.822	62%	0.616	S	S	*	*			cis	-163.4	171.1	15	-135.7	152.5	-10.9	0	0	114.6
2274	S	29.7	Very low	29.9	Very low	105 Å²	105	116 Å²	116	73%	0.734	61%	0.614	S	S	*	*			trans	-113.1	-170.6	179.8	63.1	0	0	0	0	113.6
2275	K	31.3	Very low	29.8	Very low	159 Å²	159	112 Å²	112	69%	0.691	60%	0.604	S	S	*	*			cis	-88.5	-177.3	28.5	-79.2	-173.5	174.6	-179	0	116.5	V2304	K2275-V2304 WeakPolarHBondContact CD-O 3Å; K2275-V2304 WeakPolarHBondContact CE-O 3.39Å; K2275-V2304 PolarHBondContact NZ-O 3.45Å
2276	L	30	Very low	29.9	Very low	90 Å²	90	116.2 Å²	116.2	47%	0.471	61%	0.614	S	S	.	*			cis	98.9	163.4	10.5	-72.7	167.2	0	0	0	119.5	N2305 N2306	L2276-N2305 HydrophobicContact CB-CB 4.27Å; L2276-N2305 WeakPolarHBondContact CD1-O 3.19Å; L2276-N2306 HydrophobicContact CD1-CB 4.05Å; L2276-N2306 HydrophobicContact CD2-CB 3.93Å
2277	S	27	Very low	29.8	Very low	52 Å²	52	120.6 Å²	120.6	36%	0.364	62%	0.619	S	S	.	*			trans	-131.3	160.4	-146	52.2	0	0	0	0	119	N2305	S2277-N2305 VanDerWaalsContact O-CB 3.25Å; S2277-N2305 WeakPolarHBondContact O-CB 3.11Å; S2277-N2305 PolarHBondContact O-ND2 2.82Å; S2277-N2305 PolarHBondContact OG-ND2 2.92Å
2278	W	26.4	Very low	29.9	Very low	150 Å²	150	118.7 Å²	118.7	57%	0.568	62%	0.617	S	S	*	*	S	Bend	trans	51.8	-164.9	163.5	-83.1	84.8	0	0	0	119	L2303 V2304	W2278-L2303 CarbonylContact O-C 3.46Å; W2278-L2303 VanDerWaalsContact O-C 3.24Å; W2278-L2303 WeakPolarHBondContact O-CA 3.32Å; W2278-L2303 WeakPolarHBondContact O-CB 3.18Å; W2278-L2303 WeakPolarHBondContact O-CD2 3.28Å; W2278-V2304 WeakPolarHBondContact O-CG2 3.45Å; W2278-V2304 PolarHBondContact O-N 3.01Å
2279	T	26.6	Very low	29.6	Very low	63 Å²	63	119.1 Å²	119.1	39%	0.387	62%	0.624	S	S	.	*			trans	-119.2	147.3	-159.9	57.3	0	0	0	0	117.4	R2302 L2303 V2304	T2279-R2302 HydrophobicContact CG2-CB 3.73Å; T2279-L2303 HydrophobicContact CG2-CD2 4.31Å; T2279-V2304 WeakPolarHBondContact O-CG2 3.14Å
2280	T	29.8	Very low	29.6	Very low	32 Å²	32	118.9 Å²	118.9	20%	0.196	62%	0.622	C	S	.	*			trans	-93.9	158.4	-156.7	52.2	0	0	0	0	119.6	P812 L2303 V2304	P812-T2280 WeakPolarHBondContact O-CB 3.46Å; P812-T2280 PolarHBondContact O-OG1 2.89Å; T2280-L2303 WeakPolarHBondContact CG2-O 3.33Å; T2280-V2304 HydrophobicContact CG2-CB 3.67Å; T2280-V2304 HydrophobicContact CG2-CG1 3.36Å; T2280-V2304 HydrophobicContact CG2-CG2 3.79Å
2281	D	28.4	Very low	29.7	Very low	80 Å²	80	120.2 Å²	120.2	43%	0.428	62%	0.617	S	S	.	*			trans	-156.2	147.8	162.9	63.9	134.9	0	0	0	110	T811 D813 W814	T811-D2281 VanDerWaalsContact CA-O 3.23Å; T811-D2281 WeakPolarHBondContact CA-O 3.39Å; T811-D2281 WeakPolarHBondContact CG2-O 3.43Å; D813-D2281 VanDerWaalsContact N-C 3.27Å; W814-D2281 WeakPolarHBondContact O-CB 3.47Å
2282	D	29.4	Very low	29.5	Very low	41 Å²	41	117.5 Å²	117.5	22%	0.219	61%	0.606	C	S	.	*			cis	-148.9	148.7	4.4	-179.2	-156.4	0	0	0	114.3	D813 W814 S815	D813-D2282 VanDerWaalsContact N-N 3.16Å; W814-D2282 WeakPolarHBondContact CA-OD2 3.41Å; W814-D2282 PolarHBondContact N-OD2 3.01Å; S815-D2282 WeakPolarHBondContact CB-OD1 3.36Å
2283	N	31.6	Very low	29.9	Very low	126 Å²	126	117.1 Å²	117.1	67%	0.674	61%	0.614	S	S	*	*			trans	-173.4	173.8	143.5	-111.2	-75.3	0	0	0	116
2284	Y	32.3	Very low	29.9	Very low	171 Å²	171	115.5 Å²	115.5	67%	0.671	61%	0.607	S	S	*	*			trans	-112.4	156.1	-158.6	-120.5	-90.6	0	0	0	119	W814	W814-Y2284 AromaticContact NE1-CD2 3.49Å; W814-Y2284 AromaticContact NE1-CE2 3.4Å
2285	S	28	Very low	29.7	Very low	92 Å²	92	114.3 Å²	114.3	64%	0.643	59%	0.592	S	S	*	*			trans	85.8	143.8	144.9	74.7	0	0	0	0	122.9
2286	E	30.1	Very low	29.6	Very low	177 Å²	177	111.7 Å²	111.7	83%	0.827	59%	0.594	S	S	*	*			trans	56.6	140.5	152	-69.9	-177.2	176.8	0	0	121.5
2287	Y	28.6	Very low	29.8	Very low	205 Å²	205	117.4 Å²	117.4	80%	0.804	61%	0.611	S	S	*	*			cis	-165.3	173.7	-24.4	-141.5	-111	0	0	0	106.5
2288	L	31.8	Very low	29.9	Very low	146 Å²	146	121 Å²	121	76%	0.764	63%	0.625	S	S	*	*			trans	64.2	106	173.5	-56.3	170.6	0	0	0	117.9
2289	C	24.4	Very low	30.1	Very low	129 Å²	129	122.4 Å²	122.4	87%	0.872	64%	0.637	S	S	*	*			trans	-82.7	123.2	134	-74.4	0	0	0	0	108.6
2290	S	30.8	Very low	30.1	Very low	102 Å²	102	124.6 Å²	124.6	71%	0.713	66%	0.656	S	S	*	*			trans	-107.1	121.4	139.9	-69.7	0	0	0	0	106.1
2291	N	33.1	Very low	30.1	Very low	118 Å²	118	130.4 Å²	130.4	63%	0.631	69%	0.685	S	S	*	*				55.5	146.6	74.2	-90.2	-27.5	0	0	0	113.8	S2293	N2291-S2293 PolarHBondContact O-N 3.42Å
2292	H	28.5	Very low	30.4	Very low	124 Å²	124	135 Å²	135	57%	0.574	70%	0.697	S	S	*	*			trans	-31.5	126.5	-174.9	-79.5	-146.2	0	0	0	115	Q2294 N2295	H2292-Q2294 HydrophobicContact CB-CG 3.95Å; H2292-Q2294 VanDerWaalsContact CD2-CA 3.4Å; H2292-Q2294 WeakPolarHBondContact CD2-CA 3.42Å; H2292-Q2294 WeakPolarHBondContact CE1-CG 3.31Å; H2292-Q2294 PolarHBondContact CE1-NE2 3.39Å; H2292-Q2294 PolarHBondContact CE1-OE1 3.19Å; H2292-Q2294 VanDerWaalsContact CE1-OE1 3.27Å; H2292-Q2294 VanDerWaalsContact ND1-CG 3.32Å; H2292-Q2294 WeakPolarHBondContact ND1-CG 3.11Å; H2292-Q2294 PolarHBondContact ND1-NE2 3.02Å; H2292-Q2294 PolarHBondContact ND1-OE1 2.77Å; H2292-Q2294 VanDerWaalsContact NE2-CD 3.34Å; H2292-Q2294 PolarHBondContact NE2-OE1 3.43Å; H2292-N2295 PolarHBondContact CD2-N 2.82Å; H2292-N2295 PolarHBondContact CD2-ND2 2.78Å; H2292-N2295 PolarHBondContact CD2-OD1 2.75Å; H2292-N2295 VanDerWaalsContact CD2-OD1 3.27Å
2293	S	38.6	Very low	30.5	Very low	121 Å²	121	138.8 Å²	138.8	85%	0.846	72%	0.716	S	S	*	*	S	Bend	cis	-94.1	124.9	28.4	54.3	0	0	0	0	118.6	N2291	N2291-S2293 PolarHBondContact O-N 3.42Å
2294	Q	31.9	Very low	30.6	Very low	142 Å²	142	133.4 Å²	133.4	66%	0.664	69%	0.688	S	S	*	*	S	Bend	cis	-140.7	74.6	-27.5	-80.2	-141	-7.6	0	0	111.8	H2292	H2292-Q2294 HydrophobicContact CB-CG 3.95Å; H2292-Q2294 VanDerWaalsContact CD2-CA 3.4Å; H2292-Q2294 WeakPolarHBondContact CD2-CA 3.42Å; H2292-Q2294 WeakPolarHBondContact CE1-CG 3.31Å; H2292-Q2294 PolarHBondContact CE1-NE2 3.39Å; H2292-Q2294 PolarHBondContact CE1-OE1 3.19Å; H2292-Q2294 VanDerWaalsContact CE1-OE1 3.27Å; H2292-Q2294 VanDerWaalsContact ND1-CG 3.32Å; H2292-Q2294 WeakPolarHBondContact ND1-CG 3.11Å; H2292-Q2294 PolarHBondContact ND1-NE2 3.02Å; H2292-Q2294 PolarHBondContact ND1-OE1 2.77Å; H2292-Q2294 VanDerWaalsContact NE2-CD 3.34Å; H2292-Q2294 PolarHBondContact NE2-OE1 3.43Å
2295	N	26.1	Very low	30.7	Very low	80 Å²	80	126.9 Å²	126.9	43%	0.428	67%	0.665	S	S	.	*			trans	63.6	155.9	160.1	-88.5	-0.8	0	0	0	124.6	H2292	H2292-N2295 PolarHBondContact CD2-N 2.82Å; H2292-N2295 PolarHBondContact CD2-ND2 2.78Å; H2292-N2295 PolarHBondContact CD2-OD1 2.75Å; H2292-N2295 VanDerWaalsContact CD2-OD1 3.27Å
2296	S	29.3	Very low	30.9	Very low	104 Å²	104	125.4 Å²	125.4	73%	0.727	65%	0.65	S	S	*	*			trans	100.6	127.8	141.8	74.1	0	0	0	0	120
2297	Y	32.3	Very low	30.9	Very low	211 Å²	211	121.4 Å²	121.4	83%	0.827	63%	0.634	S	S	*	*			trans	53.6	135.6	166.2	-77.5	-109.7	0	0	0	119.4
2298	I	29.2	Very low	31.1	Very low	127 Å²	127	117.2 Å²	117.2	65%	0.651	63%	0.625	S	S	*	*			cis	108.2	107.8	15.7	-66.8	172.6	0	0	0	114.6
2299	Q	31.1	Very low	31.2	Very low	179 Å²	179	115.6 Å²	115.6	84%	0.836	63%	0.626	S	S	*	*			trans	62.9	150.6	153.5	-70.6	170.5	-24.5	0	0	119.4
2300	S	27.7	Very low	31.7	Very low	110 Å²	110	113.5 Å²	113.5	77%	0.769	61%	0.613	S	S	*	*			cis	-126.8	-152.4	7.8	-66.3	0	0	0	0	110.9
2301	N	28	Very low	31.8	Very low	154 Å²	154	115.3 Å²	115.3	82%	0.824	62%	0.615	S	S	*	*			cis	-159.9	179.1	5.9	-155.5	-9.4	0	0	0	112.1
2302	R	34.6	Very low	31.8	Very low	177 Å²	177	116.2 Å²	116.2	67%	0.668	62%	0.619	S	S	*	*			trans	-90.4	134.4	-170.9	-64.2	170	154.5	172.1	-7.2	116.8	T2279	T2279-R2302 HydrophobicContact CG2-CB 3.73Å
2303	L	32.2	Very low	32	Very low	120 Å²	120	116.1 Å²	116.1	63%	0.628	62%	0.623	S	S	*	*			trans	-164.1	165.2	147.5	-77.8	-167.5	0	0	0	112.2	W2278 T2279 T2280	W2278-L2303 CarbonylContact O-C 3.46Å; W2278-L2303 VanDerWaalsContact O-C 3.24Å; W2278-L2303 WeakPolarHBondContact O-CA 3.32Å; W2278-L2303 WeakPolarHBondContact O-CB 3.18Å; W2278-L2303 WeakPolarHBondContact O-CD2 3.28Å; T2279-L2303 HydrophobicContact CG2-CD2 4.31Å; T2280-L2303 WeakPolarHBondContact CG2-O 3.33Å
2304	V	33.8	Very low	31.7	Very low	12 Å²	12	115.7 Å²	115.7	7%	0.073	61%	0.611	C	S	.	*			trans	-109.2	-141.2	-173.8	-140.6	0	0	0	0	113.5	P810 K2275 W2278 T2279 T2280	P810-V2304 WeakPolarHBondContact O-CG1 3.44Å; K2275-V2304 WeakPolarHBondContact CD-O 3Å; K2275-V2304 WeakPolarHBondContact CE-O 3.39Å; K2275-V2304 PolarHBondContact NZ-O 3.45Å; W2278-V2304 WeakPolarHBondContact O-CG2 3.45Å; W2278-V2304 PolarHBondContact O-N 3.01Å; T2279-V2304 WeakPolarHBondContact O-CG2 3.14Å; T2280-V2304 HydrophobicContact CG2-CB 3.67Å; T2280-V2304 HydrophobicContact CG2-CG1 3.36Å; T2280-V2304 HydrophobicContact CG2-CG2 3.79Å
2305	N	33.7	Very low	31.7	Very low	35 Å²	35	115.6 Å²	115.6	19%	0.187	62%	0.615	C	S	.	*			cis	-160.5	166.9	10.1	-141.9	-35.5	0	0	0	114.9	L2276 S2277	L2276-N2305 HydrophobicContact CB-CB 4.27Å; L2276-N2305 WeakPolarHBondContact CD1-O 3.19Å; S2277-N2305 VanDerWaalsContact O-CB 3.25Å; S2277-N2305 WeakPolarHBondContact O-CB 3.11Å; S2277-N2305 PolarHBondContact O-ND2 2.82Å; S2277-N2305 PolarHBondContact OG-ND2 2.92Å
2306	N	32.9	Very low	32	Very low	61 Å²	61	116.4 Å²	116.4	33%	0.326	62%	0.618	S	S	.	*			trans	60.1	131.9	144.6	-93.8	-10.9	0	0	0	119.7	P810 L2276	P810-N2306 PolarHBondContact O-N 3.25Å; L2276-N2306 HydrophobicContact CD1-CB 4.05Å; L2276-N2306 HydrophobicContact CD2-CB 3.93Å
2307	N	30.5	Very low	32	Very low	93 Å²	93	116.8 Å²	116.8	50%	0.497	61%	0.608	S	S	.	*			trans	85.9	108.5	145.7	-61.9	-0	0	0	0	120.1
2308	N	32	Very low	31.9	Very low	116 Å²	116	110.5 Å²	110.5	62%	0.62	59%	0.588	S	S	*	*				95.3	118.7	112.6	-68.9	-3.6	0	0	0	121.8
2309	S	34.9	Very low	32	Very low	112 Å²	112	108.4 Å²	108.4	78%	0.783	58%	0.578	S	S	*	*				68.7	154.1	127.4	80.6	0	0	0	0	118.8
2310	S	34.1	Very low	31.9	Very low	86 Å²	86	105.2 Å²	105.2	60%	0.601	56%	0.558	S	S	*	*			cis	-171.1	169.8	41.3	48.2	0	0	0	0	113.8
2311	N	34.1	Very low	32.2	Very low	140 Å²	140	105.9 Å²	105.9	75%	0.749	55%	0.553	S	S	*	*			trans	73.3	144.4	156.7	-60.9	-7.7	0	0	0	117.5
2312	N	32	Very low	32.5	Very low	136 Å²	136	103.5 Å²	103.5	73%	0.727	54%	0.54	S	S	*	.			cis	-154.1	117.8	5.9	-121.6	13.6	0	0	0	113.1
2313	D	32	Very low	32.5	Very low	122 Å²	122	104.2 Å²	104.2	65%	0.652	54%	0.543	S	S	*	.				0.2	149.9	112.3	-74.2	35.4	0	0	0	117.5
2314	N	33.1	Very low	32.6	Very low	112 Å²	112	104.1 Å²	104.1	60%	0.599	55%	0.548	S	S	*	.			cis	-170.7	150.2	5.3	-113.8	-18.5	0	0	0	114.8
2315	L	32.5	Very low	32.6	Very low	140 Å²	140	108.7 Å²	108.7	73%	0.733	57%	0.572	S	S	*	*			trans	62.9	171.8	140.7	-55.5	164.8	0	0	0	118.6
2316	I	31.4	Very low	32.6	Very low	98 Å²	98	113.3 Å²	113.3	50%	0.503	60%	0.595	S	S	.	*			cis	-156.5	165.7	14.4	-151.8	153.4	0	0	0	113.8	P1438 M2318	P1438-I2316 HydrophobicContact CG-CD1 3.73Å; P1438-I2316 HydrophobicContact CG-CG1 4.13Å; P1438-I2316 HydrophobicContact CG-CG2 4.44Å; I2316-M2318 HydrophobicContact CD1-CE 3.83Å; I2316-M2318 HydrophobicContact CG1-CE 3.36Å; I2316-M2318 HydrophobicContact CG1-SD 4.1Å
2317	E	30.7	Very low	32.7	Very low	111 Å²	111	116.3 Å²	116.3	52%	0.519	61%	0.607	S	S	.	*			trans	101.3	143.1	162.1	-46.9	-132	-142.2	0	0	122.7	N1437 P1438	N1437-E2317 PolarHBondContact ND2-OE1 3.18Å; N1437-E2317 PolarHBondContact ND2-OE2 2.78Å; P1438-E2317 HydrophobicContact CB-CG 4.2Å; P1438-E2317 WeakPolarHBondContact CB-OE1 3.04Å; P1438-E2317 VanDerWaalsContact CB-OE2 3.23Å; P1438-E2317 WeakPolarHBondContact CB-OE2 3.43Å; P1438-E2317 HydrophobicContact CG-CG 4.39Å
2318	M	30.2	Very low	32.8	Very low	80 Å²	80	119.7 Å²	119.7	39%	0.394	61%	0.613	S	S	.	*			cis	-169.6	161.4	-49.4	-98.4	150.5	-171.1	0	0	117.9	P1438 I1440 T1441 I2316	P1438-M2318 HydrophobicContact CB-SD 3.54Å; P1438-M2318 VanDerWaalsContact CB-SD 3.54Å; P1438-M2318 HydrophobicContact CG-CE 4.13Å; P1438-M2318 HydrophobicContact CG-SD 3.73Å; I1440-M2318 PolarHBondContact N-SD 2.94Å; T1441-M2318 CarbonylContact O-C 3.08Å; I2316-M2318 HydrophobicContact CD1-CE 3.83Å; I2316-M2318 HydrophobicContact CG1-CE 3.36Å; I2316-M2318 HydrophobicContact CG1-SD 4.1Å
2319	D	30.1	Very low	32.9	Very low	82 Å²	82	120.5 Å²	120.5	44%	0.439	62%	0.617	S	S	.	*			trans	45.5	133	-175.5	-121.1	19.1	0	0	0	133.1	I1440 T1441	I1440-D2319 HydrophobicContact CG2-CB 4.26Å; I1440-D2319 WeakPolarHBondContact CG2-OD1 2.98Å; I1440-D2319 WeakPolarHBondContact CG2-OD2 3.37Å; I1440-D2319 WeakPolarHBondContact O-CA 3.18Å; I1440-D2319 WeakPolarHBondContact O-CB 3.39Å; I1440-D2319 PolarHBondContact O-N 3.29Å; T1441-D2319 CarbonylContact O-C 3.36Å; T1441-D2319 WeakPolarHBondContact O-CA 3.42Å; T1441-D2319 PolarHBondContact O-N 3.38Å; T1441-D2319 PolarHBondContact OG1-OD1 3.27Å
2320	R	29.7	Very low	32.6	Very low	112 Å²	112	119.1 Å²	119.1	42%	0.423	61%	0.606	S	S	.	*			trans	-51.5	-171.4	154.5	-52.8	153.4	173.8	141.7	-3.3	114.5	T1441 L1442	T1441-R2320 PolarHBondContact O-N 2.7Å; T1441-R2320 WeakPolarHBondContact OG1-CD 2.92Å; T1441-R2320 VanDerWaalsContact OG1-CG 3.23Å; T1441-R2320 WeakPolarHBondContact OG1-CG 3.23Å; T1441-R2320 PolarHBondContact OG1-NE 3.02Å; T1441-R2320 PolarHBondContact OG1-NH1 3.29Å; L1442-R2320 HydrophobicContact CB-CG 4.08Å; L1442-R2320 HydrophobicContact CD1-CG 3.73Å; L1442-R2320 HydrophobicContact CG-CG 4.47Å
2321	N	33	Very low	32.4	Very low	125 Å²	125	117.9 Å²	117.9	67%	0.668	60%	0.597	S	S	*	*			cis	-156.9	171.9	7.3	-132.3	-24.9	0	0	0	107.2
2322	N	34.4	Very low	32.3	Very low	103 Å²	103	114.1 Å²	114.1	55%	0.551	58%	0.582	S	S	*	*			cis	179.3	149.7	43.6	-146.8	-31.8	0	0	0	111.7
2323	R	35.3	Very low	32.3	Very low	192 Å²	192	113.3 Å²	113.3	73%	0.725	57%	0.574	S	S	*	*			trans	61.6	160.7	151.1	-84	161	-163.6	-171.5	5.2	119.4
2324	T	34.8	Very low	32.2	Very low	119 Å²	119	112.8 Å²	112.8	73%	0.73	57%	0.571	S	S	*	*			cis	-136.7	169.8	15.7	44.8	0	0	0	0	109.4
2325	N	33.6	Very low	32	Very low	108 Å²	108	113.5 Å²	113.5	58%	0.578	58%	0.575	S	S	*	*			cis	-164.1	-172.9	-3.7	-112.8	-22.7	0	0	0	105.4
2326	I	34.1	Very low	31.7	Very low	132 Å²	132	111.9 Å²	111.9	68%	0.677	57%	0.574	S	S	*	*			cis	-159	153.4	-3.3	-124.3	156.2	0	0	0	105
2327	Q	33.4	Very low	31.5	Very low	123 Å²	123	117.4 Å²	117.4	58%	0.575	59%	0.59	S	S	*	*			cis	-147.5	122.2	-29.5	-115.1	176.9	23.4	0	0	105.3
2328	R	34.1	Very low	31.5	Very low	165 Å²	165	116.7 Å²	116.7	62%	0.623	59%	0.593	S	S	*	*				70.7	148	100.6	-72.8	-171.2	-155.5	150.7	6.9	116.9
2329	N	33.5	Very low	31.5	Very low	133 Å²	133	118.6 Å²	118.6	71%	0.711	61%	0.605	S	S	*	*			cis	-179.6	142	-31.5	-108.7	31.1	0	0	0	104.6
2330	C	28.4	Very low	31.5	Very low	82 Å²	82	122.4 Å²	122.4	55%	0.554	62%	0.618	S	S	*	*				59.4	132.6	83.9	-49.9	0	0	0	0	113.8
2331	S	29.1	Very low	31.6	Very low	60 Å²	60	123.2 Å²	123.2	42%	0.42	63%	0.626	S	S	.	*			cis	84.2	179.4	35.2	-50.2	0	0	0	0	114.5	S797 F798	S797-S2331 WeakPolarHBondContact O-CB 3.34Å; S797-S2331 VanDerWaalsContact OG-CA 3.31Å; S797-S2331 WeakPolarHBondContact OG-CA 3.21Å; S797-S2331 WeakPolarHBondContact OG-CB 3.27Å; F798-S2331 WeakPolarHBondContact O-CB 2.96Å
2332	S	32.7	Very low	31.6	Very low	61 Å²	61	122.3 Å²	122.3	43%	0.427	62%	0.622	S	S	.	*			trans	78.4	138.2	-177.1	71.5	0	0	0	0	117.2	S795 S796 S797	S795-S2332 CarbonylContact O-C 3.5Å; S796-S2332 WeakPolarHBondContact CB-O 3.23Å; S796-S2332 PolarHBondContact OG-N 3.47Å; S796-S2332 PolarHBondContact OG-O 3.27Å; S797-S2332 VanDerWaalsContact N-CA 3.29Å; S797-S2332 WeakPolarHBondContact O-CA 3.23Å; S797-S2332 PolarHBondContact O-N 2.53Å
2333	E	31.3	Very low	31.4	Very low	120 Å²	120	121.9 Å²	121.9	56%	0.561	62%	0.619	S	S	*	*			cis	-159.9	138.5	-15.2	-111.9	140.2	-172.2	0	0	115.3	S795 S796 S797	S795-E2333 VanDerWaalsContact C-N 3.29Å; S795-E2333 CarbonylContact C-O 3.2Å; S795-E2333 PolarHBondContact N-O 3.49Å; S795-E2333 PolarHBondContact O-N 3.21Å; S796-E2333 VanDerWaalsContact C-C 3.49Å; S796-E2333 VanDerWaalsContact C-N 3.27Å; S796-E2333 PolarHBondContact N-O 3.27Å; S796-E2333 CarbonylContact O-C 3.19Å; S797-E2333 VanDerWaalsContact N-CA 3.31Å
2334	L	31.3	Very low	31.3	Very low	111 Å²	111	116.8 Å²	116.8	58%	0.581	61%	0.61	S	S	*	*				40.4	165	128.7	-98	67.7	0	0	0	126.7	S796	S796-L2334 PolarHBondContact O-N 3.41Å
2335	N	29.4	Very low	31.2	Very low	127 Å²	127	116.2 Å²	116.2	68%	0.679	61%	0.606	S	S	*	*			trans	74.9	153.8	156.1	-60.9	-22.3	0	0	0	120.3
2336	C	25.4	Very low	31.1	Very low	106 Å²	106	116.5 Å²	116.5	72%	0.716	60%	0.604	S	S	*	*			cis	123.4	154.2	-7	-69.7	0	0	0	0	115.5
2337	Y	27.5	Very low	30.8	Very low	214 Å²	214	116 Å²	116	84%	0.839	60%	0.602	S	S	*	*			trans	76.1	140.4	173	-78	-100.4	0	0	0	118
2338	T	30.6	Very low	30.7	Very low	96 Å²	96	118.6 Å²	118.6	59%	0.589	61%	0.614	S	S	*	*			cis	-170.4	169.6	-12.2	7.4	0	0	0	0	115.9
2339	N	30.7	Very low	30.5	Very low	120 Å²	120	117.1 Å²	117.1	64%	0.642	62%	0.619	S	S	*	*			trans	76.7	152.8	151	-63.6	-9.9	0	0	0	119.7
2340	F	29.6	Very low	30.2	Very low	161 Å²	161	118.7 Å²	118.7	71%	0.706	62%	0.624	S	S	*	*			cis	-174.2	172.8	-5.9	-109.7	-166.4	0	0	0	109.2
2341	Q	31.9	Very low	30.2	Very low	129 Å²	129	120.6 Å²	120.6	60%	0.603	63%	0.628	S	S	*	*			cis	-175.7	149.7	-37.1	-134	-168.9	29.8	0	0	111.7
2342	N	31.6	Very low	30.2	Very low	107 Å²	107	126.1 Å²	126.1	57%	0.572	65%	0.647	S	S	*	*			trans	68.5	157.3	158.4	-52.1	-23.4	0	0	0	118.9
2343	N	31.8	Very low	30.3	Very low	93 Å²	93	131.1 Å²	131.1	50%	0.497	67%	0.668	S	S	.	*			cis	-170.4	144.7	-10.2	-110	-4.9	0	0	0	112.8	N783	N783-N2343 PolarHBondContact ND2-OD1 2.97Å; N783-N2343 PolarHBondContact OD1-OD1 3.45Å
2344	T	33	Very low	30.2	Very low	86 Å²	86	132.2 Å²	132.2	53%	0.528	68%	0.677	S	S	.	*			trans	56.7	154.9	146.7	63.1	0	0	0	0	120.7	N783	N783-T2344 WeakPolarHBondContact OD1-CG2 3.45Å; N783-T2344 PolarHBondContact OD1-N 2.92Å
2345	T	31.8	Very low	30.1	Very low	106 Å²	106	132.8 Å²	132.8	65%	0.65	69%	0.686	S	S	*	*			cis	-154.6	148.2	24.4	47.8	0	0	0	0	115.4
2346	Q	32.9	Very low	30.1	Very low	114 Å²	114	134.1 Å²	134.1	53%	0.533	69%	0.692	S	S	.	*			trans	43.8	138.7	135.6	-64	-172.5	-19	0	0	127.4
2347	L	27.5	Very low	30.8	Very low	122 Å²	122	134.8 Å²	134.8	64%	0.639	70%	0.695	S	S	*	*			trans	66.6	153.7	138.5	-70	166.8	0	0	0	120.5
2348	E	30.6	Very low	31	Very low	178 Å²	178	132.6 Å²	132.6	83%	0.832	70%	0.697	S	S	*	*			cis	-131.4	-167.7	13.2	-72.1	-169.3	128.1	0	0	115
2349	N	29.4	Very low	31	Very low	133 Å²	133	135.6 Å²	135.6	71%	0.711	71%	0.709	S	S	*	*			trans	-95.4	166.3	-166.6	-42	-72.8	0	0	0	116.4
2350	M	28.6	Very low	31.1	Very low	166 Å²	166	137 Å²	137	82%	0.818	72%	0.715	S	S	*	*				170.1	109.6	118.5	-89.2	-61.4	-174.9	0	0	115.7
2351	D	28.3	Very low	31.1	Very low	122 Å²	122	132 Å²	132	65%	0.652	70%	0.7	S	S	*	*			trans	47.8	147	137.1	-66.8	4.6	0	0	0	128.2
2352	H	29.2	Very low	31.1	Very low	176 Å²	176	130.5 Å²	130.5	82%	0.815	70%	0.696	S	S	*	*			trans	75.1	143.6	163.6	-53.9	-37.7	0	0	0	117.9
2353	I	33.4	Very low	31	Very low	167 Å²	167	128.5 Å²	128.5	86%	0.856	69%	0.694	S	S	*	*			cis	-134.6	157.9	13.9	-58.9	169.1	0	0	0	111.1
2354	N	30	Very low	31.1	Very low	143 Å²	143	129.7 Å²	129.7	77%	0.765	71%	0.709	S	S	*	*			trans	-60.8	158.7	170.9	-75.2	-41.6	0	0	0	113.9
2355	T	30.3	Very low	31	Very low	123 Å²	123	131.3 Å²	131.3	76%	0.755	72%	0.724	S	S	*	*				-167.6	152	68.2	35.6	0	0	0	0	116.3
2356	N	27.9	Very low	31.1	Very low	154 Å²	154	134.8 Å²	134.8	82%	0.824	73%	0.733	S	S	*	*			trans	59.3	116.9	150.1	-62.9	1.9	0	0	0	122.1
2357	P	40.6	Very low	31.4	Very low	120 Å²	120	135 Å²	135	78%	0.779	74%	0.744	S	S	*	*			trans	-114	168.5	172.1	41.5	-32.9	0	0	0	114.8
2358	L	30.6	Very low	31.5	Very low	168 Å²	168	139 Å²	139	88%	0.88	76%	0.757	S	S	*	*			trans	-169.6	162.6	132.8	-106.9	169.3	0	0	0	112.4
2359	L	31.6	Very low	31.5	Very low	160 Å²	160	137.5 Å²	137.5	84%	0.838	75%	0.754	S	S	*	*			trans	-149.7	158.4	-173.4	-86.8	169	0	0	0	110.7
2360	I	32.3	Very low	31.3	Very low	150 Å²	150	138.6 Å²	138.6	77%	0.769	76%	0.757	S	S	*	*			trans	-177.6	150.3	149.9	-104.1	156.2	0	0	0	111.6
2361	S	29.3	Very low	31.1	Very low	54 Å²	54	135.2 Å²	135.2	38%	0.378	75%	0.749	S	S	.	*			trans	-162.6	-175	141.6	16.1	0	0	0	0	112.1	H758 F759 Q760	H758-S2361 WeakPolarHBondContact O-CB 3.49Å; H758-S2361 PolarHBondContact O-OG 2.68Å; F759-S2361 CarbonylContact C-O 3.16Å; F759-S2361 CarbonylContact O-C 3.24Å; F759-S2361 VanDerWaalsContact O-C 3.29Å; F759-S2361 PolarHBondContact O-N 3.11Å; Q760-S2361 PolarHBondContact N-O 3.21Å
2362	L	32.9	Very low	30.9	Very low	99 Å²	99	133.7 Å²	133.7	52%	0.518	75%	0.748	S	S	.	*			trans	-98	-138.5	-153.3	-60.8	81.4	0	0	0	117.9	S757 H758 F759	S757-L2362 WeakPolarHBondContact O-CD1 3.32Å; H758-L2362 VanDerWaalsContact C-N 3.33Å; H758-L2362 CarbonylContact C-O 3.2Å; H758-L2362 VanDerWaalsContact CA-C 3.47Å; H758-L2362 VanDerWaalsContact CA-N 3.34Å; H758-L2362 WeakPolarHBondContact CA-O 3.35Å; F759-L2362 PolarHBondContact N-O 3.22Å
2363	A	30.4	Very low	30.9	Very low	65 Å²	65	134.2 Å²	134.2	54%	0.537	75%	0.748	S	S	.	*			trans	-115.3	176.5	-155	0	0	0	0	0	115.9	H758	H758-A2363 PolarHBondContact CD2-O 3.06Å
2364	S	32.4	Very low	30.6	Very low	117 Å²	117	132.5 Å²	132.5	82%	0.818	74%	0.741	S	S	*	*				-178.2	-162.4	87.5	49	0	0	0	0	114.4
2365	S	32.1	Very low	30.7	Very low	120 Å²	120	130.9 Å²	130.9	84%	0.839	74%	0.736	S	S	*	*			trans	-113.6	171.8	-146	49	0	0	0	0	119
2366	Q	33.2	Very low	30.8	Very low	179 Å²	179	131 Å²	131	84%	0.836	74%	0.737	S	S	*	*			trans	-86.6	178.4	-177.4	-63.3	-168.6	-14.5	0	0	115.2
2367	P	39.5	Very low	30.8	Very low	118 Å²	118	128.2 Å²	128.2	77%	0.766	73%	0.729	S	S	*	*				-149.4	156	104.4	39.5	-24.6	0	0	0	117.7
2368	F	29.6	Very low	30.6	Very low	208 Å²	208	129.5 Å²	129.5	91%	0.912	73%	0.729	S	S	*	*			trans	-152.1	164.4	147.5	-123	-82.8	0	0	0	110.7
2369	L	30.1	Very low	30.4	Very low	146 Å²	146	125.7 Å²	125.7	76%	0.764	72%	0.716	S	S	*	*			trans	-114.5	145.8	-158.7	-78.9	167.5	0	0	0	117.1
2370	M	24.9	Very low	30.3	Very low	156 Å²	156	122.9 Å²	122.9	77%	0.768	71%	0.705	S	S	*	*			trans	63.6	91.7	139.3	-72.2	-88.5	119.7	0	0	121.2
2371	S	24.3	Very low	30.6	Very low	95 Å²	95	120.9 Å²	120.9	66%	0.664	70%	0.7	S	S	*	*				91.4	149.1	106.5	78.4	0	0	0	0	122.8
2372	S	24.5	Very low	31.2	Very low	90 Å²	90	121.8 Å²	121.8	63%	0.629	71%	0.707	S	S	*	*			trans	89.2	134.8	155.2	76.6	0	0	0	0	119.2
2373	F	29.7	Very low	31.6	Very low	187 Å²	187	121.6 Å²	121.6	82%	0.82	70%	0.703	S	S	*	*			trans	66.2	146.3	173.2	-52.3	-73.7	0	0	0	116.9
2374	N	27.4	Very low	32	Very low	131 Å²	131	121.7 Å²	121.7	70%	0.701	69%	0.693	S	S	*	*			cis	-168.1	169.5	-32.6	-149.2	9.8	0	0	0	106.9
2375	T	31.6	Very low	32	Very low	109 Å²	109	119.1 Å²	119.1	67%	0.669	67%	0.672	S	S	*	*			trans	60.8	139	156.5	45.4	0	0	0	0	120.4
2376	T	32.3	Very low	32.4	Very low	124 Å²	124	117.1 Å²	117.1	76%	0.761	66%	0.656	S	S	*	*			trans	55.8	106.2	162.7	53.7	0	0	0	0	117.9
2377	S	28.6	Very low	32.8	Very low	96 Å²	96	118.8 Å²	118.8	67%	0.671	66%	0.656	S	S	*	*			cis	84.5	144.6	45.2	78.9	0	0	0	0	115
2378	I	35.3	Very low	32.5	Very low	148 Å²	148	117.9 Å²	117.9	76%	0.759	65%	0.653	S	S	*	*			trans	70.9	99.8	177.5	-50.2	176.5	0	0	0	112.5
2379	S	26.2	Very low	32.7	Very low	88 Å²	88	112.9 Å²	112.9	62%	0.615	64%	0.644	S	S	*	*			cis	82.6	155.8	25	95.7	0	0	0	0	116.8
2380	T	30.2	Very low	33.2	Very low	100 Å²	100	116.5 Å²	116.5	61%	0.613	65%	0.649	S	S	*	*			trans	61.9	167.5	161.3	43.2	0	0	0	0	115.2	E2383	T2380-E2383 WeakPolarHBondContact CB-OE1 3.36Å
2381	T	38.8	Very low	33.6	Very low	108 Å²	108	117.8 Å²	117.8	66%	0.663	65%	0.652	S	S	*	*			cis	-135.6	-177.2	21.2	68.3	0	0	0	0	110.6	E2383	T2381-E2383 WeakPolarHBondContact CG2-OE1 3.31Å
2382	S	40.8	Very low	33.9	Very low	74 Å²	74	120.9 Å²	120.9	52%	0.517	66%	0.661	S	S	.	*			cis	-155.9	153.9	6.8	-4.1	0	0	0	0	112.9	T738	T738-S2382 WeakPolarHBondContact O-CB 3.4Å
2383	E	41.6	Very low	34.4	Very low	94 Å²	94	122.6 Å²	122.6	44%	0.439	67%	0.667	S	S	.	*			cis	-167.7	-41	-37.7	-143.1	81.6	113.9	0	0	116.7	T2380 T2381	T2380-E2383 WeakPolarHBondContact CB-OE1 3.36Å; T2381-E2383 WeakPolarHBondContact CG2-OE1 3.31Å
2384	Q	38.7	Very low	34.6	Very low	68 Å²	68	119 Å²	119	32%	0.318	66%	0.663	S	S	.	*			trans	-142.6	151.8	-146.6	-84	159.8	25.6	0	0	114.9	T738 N739 N740	T738-Q2384 HydrophobicContact CG2-CB 4.05Å; T738-Q2384 VanDerWaalsContact CG2-OE1 3.29Å; N739-Q2384 VanDerWaalsContact CA-O 3.27Å; N739-Q2384 WeakPolarHBondContact CA-O 2.96Å; N739-Q2384 PolarHBondContact ND2-O 3.21Å; N739-Q2384 WeakPolarHBondContact OD1-CB 3.3Å; N739-Q2384 PolarHBondContact OD1-O 3.35Å; N740-Q2384 VanDerWaalsContact CA-O 3.23Å; N740-Q2384 WeakPolarHBondContact CA-O 3.48Å; N740-Q2384 WeakPolarHBondContact CB-O 3.35Å; N740-Q2384 PolarHBondContact OD1-O 3.05Å
2385	T	32.3	Very low	34.7	Very low	62 Å²	62	119.1 Å²	119.1	38%	0.38	67%	0.669	S	S	.	*				86.2	161.2	90.2	77.4	0	0	0	0	118.7	N739	N739-T2385 PolarHBondContact ND2-O 2.89Å; N739-T2385 PolarHBondContact OD1-O 3.16Å; N739-T2385 PolarHBondContact OD1-OG1 3.41Å
2386	P	41.6	Very low	34.5	Very low	79 Å²	79	118.4 Å²	118.4	51%	0.513	67%	0.668	S	S	.	*			cis	-126	-161.5	-6.2	44.1	-27.3	0	0	0	112.6	H2417	P2386-H2417 PolarHBondContact O-CE1 3.35Å; P2386-H2417 PolarHBondContact O-NE2 2.73Å
2387	Y	40.3	Very low	34.2	Very low	213 Å²	213	120 Å²	120	84%	0.835	67%	0.672	S	S	*	*			cis	-161.8	-168.9	9.2	-133.2	-32.9	0	0	0	112.1
2388	S	33	Very low	34.4	Very low	100 Å²	100	122 Å²	122	70%	0.699	68%	0.68	S	S	*	*			trans	-162.1	179.8	175.6	85.9	0	0	0	0	111.3
2389	S	34.8	Very low	34.3	Very low	102 Å²	102	120.6 Å²	120.6	71%	0.713	68%	0.678	S	S	*	*			cis	-168.2	173.4	-6.2	35.3	0	0	0	0	110.3
2390	Y	39.5	Very low	34.5	Very low	223 Å²	223	123.3 Å²	123.3	88%	0.875	68%	0.681	S	S	*	*			trans	-156.1	154.1	170.8	-108.4	-63.1	0	0	0	114.3
2391	H	34.8	Very low	34.5	Very low	182 Å²	182	125.9 Å²	125.9	84%	0.843	69%	0.686	S	S	*	*			trans	13.7	154.2	164.3	-95.9	-78.8	0	0	0	125.5
2392	L	29.6	Very low	34.2	Very low	161 Å²	161	128.6 Å²	128.6	84%	0.843	70%	0.695	S	S	*	*			trans	-79.3	168.9	172.3	-82.4	163	0	0	0	115
2393	T	35.8	Very low	33.6	Very low	125 Å²	125	129 Å²	129	77%	0.767	70%	0.697	S	S	*	*			trans	-66.4	178.6	-176.4	55.3	0	0	0	0	114.7
2394	P	32.8	Very low	33.2	Very low	113 Å²	113	133.3 Å²	133.3	73%	0.734	72%	0.718	S	S	*	*			cis	-139.8	176.1	8.4	44.1	-27.4	0	0	0	117.6
2395	T	29.5	Very low	32.7	Very low	133 Å²	133	141.7 Å²	141.7	82%	0.816	75%	0.747	S	S	*	*			trans	-168.8	129	137.5	22.8	0	0	0	0	114.3
2396	S	28.7	Very low	32.5	Very low	94 Å²	94	142.3 Å²	142.3	66%	0.657	77%	0.765	S	S	*	*			trans	15.2	121.5	145.3	54.3	0	0	0	0	120.6
2397	N	24.6	Very low	31.9	Very low	157 Å²	157	146.2 Å²	146.2	84%	0.84	78%	0.78	S	S	*	*				79.6	95.4	67	-74	-10.5	0	0	0	116.3
2398	T	32.8	Very low	31.5	Very low	137 Å²	137	143.6 Å²	143.6	84%	0.84	78%	0.775	S	S	*	*			trans	178.9	146.1	147.3	36.7	0	0	0	0	108.1
2399	V	34.8	Very low	31.5	Very low	120 Å²	120	145 Å²	145	73%	0.727	77%	0.771	S	S	*	*			cis	-158.8	148.7	-5.9	116.6	0	0	0	0	109.2
2400	H	30	Very low	31.3	Very low	145 Å²	145	146.5 Å²	146.5	67%	0.671	77%	0.768	S	S	*	*			trans	49.8	128.8	162.5	-82.4	-112	0	0	0	122.9
2401	Q	29.1	Very low	30.8	Very low	154 Å²	154	142.2 Å²	142.2	72%	0.72	76%	0.76	S	S	*	*				39.4	120.7	127.5	-64.9	173.1	-27.7	0	0	118.3
2402	I	33.3	Very low	30.9	Very low	164 Å²	164	139 Å²	139	84%	0.841	74%	0.744	S	S	*	*				-161	170.1	59.9	-110.9	134.5	0	0	0	113
2403	S	27.9	Very low	30.8	Very low	82 Å²	82	136.7 Å²	136.7	57%	0.573	73%	0.73	S	S	*	*			trans	-41.6	131.5	178.1	-167.8	0	0	0	0	117.1
2404	Q	32.5	Very low	30.5	Very low	186 Å²	186	133.7 Å²	133.7	87%	0.869	71%	0.709	S	S	*	*				-163.8	135.8	101.5	-95.2	170.3	-1.5	0	0	108.7
2405	R	28.6	Very low	30.5	Very low	244 Å²	244	131.7 Å²	131.7	92%	0.921	69%	0.693	S	S	*	*			trans	-149.4	125.8	-167.1	-73	-177.8	171.8	-176.5	-4.7	112.5
2406	G	28.6	Very low	30.6	Very low	74 Å²	74	127.9 Å²	127.9	76%	0.763	67%	0.667	S	S	*	*			trans	73.2	154.2	-165.7	0	0	0	0	0	110.6
2407	I	28.6	Very low	31.4	Very low	162 Å²	162	125.5 Å²	125.5	83%	0.831	65%	0.645	S	S	*	*			cis	-130.7	-173.3	5.3	-48	174.7	0	0	0	106.6
2408	E	32.1	Very low	31.9	Very low	157 Å²	157	119.5 Å²	119.5	73%	0.734	62%	0.616	S	S	*	*			trans	81.8	145.4	156.7	-45.6	-144.6	119.8	0	0	117.9
2409	Q	32.9	Very low	32.3	Very low	131 Å²	131	119.4 Å²	119.4	61%	0.612	61%	0.61	S	S	*	*			cis	-152	149.1	-17.5	-117.7	-174.6	42.7	0	0	111.5
2410	M	30	Very low	32.6	Very low	132 Å²	132	116.8 Å²	116.8	65%	0.65	59%	0.592	S	S	*	*			trans	29.1	126.6	147.6	-73.9	-169.1	-75.3	0	0	122.6
2411	N	30.8	Very low	32.9	Very low	134 Å²	134	112.9 Å²	112.9	72%	0.717	57%	0.574	S	S	*	*			trans	62	126.5	138.5	-51.1	-30.1	0	0	0	117.9
2412	K	35.7	Very low	33.2	Very low	114 Å²	114	109.4 Å²	109.4	50%	0.496	56%	0.56	S	S	.	*			cis	-152.4	145.3	42.4	-78.7	178.2	160.3	176.5	0	112.7	Q745	Q745-K2412 HydrophobicContact CB-CD 4.03Å; Q745-K2412 HydrophobicContact CG-CB 4.45Å; Q745-K2412 HydrophobicContact CG-CD 4.07Å; Q745-K2412 PolarHBondContact O-NZ 2.79Å; Q745-K2412 VanDerWaalsContact OE1-CD 3.26Å; Q745-K2412 VanDerWaalsContact OE1-CG 3.3Å
2413	M	27.4	Very low	33.2	Very low	112 Å²	112	105 Å²	105	55%	0.552	54%	0.544	S	S	*	.			trans	-57.1	157.9	163.1	-80.8	-177.2	-85.1	0	0	112.5	Q745	Q745-M2413 PolarHBondContact NE2-O 3.13Å
2414	N	29.6	Very low	33.5	Very low	62 Å²	62	106 Å²	106	33%	0.332	55%	0.547	S	S	.	.			cis	-140.1	138.1	0.5	-107.3	-23	0	0	0	106.1	I743 Q2421	I743-N2414 VanDerWaalsContact CD1-O 3.28Å; I743-N2414 WeakPolarHBondContact CD1-O 3.09Å; I743-N2414 WeakPolarHBondContact CG1-O 2.95Å; N2414-Q2421 PolarHBondContact ND2-OE1 3.26Å
2415	N	32.8	Very low	33.6	Very low	72 Å²	72	104.9 Å²	104.9	39%	0.385	55%	0.545	S	S	.	.			trans	-122.8	139.4	151.6	-138	2.5	0	0	0	112.1	N703 N742 I743	N703-N2415 PolarHBondContact ND2-O 2.91Å; N742-N2415 VanDerWaalsContact CG-OD1 3.26Å; N742-N2415 PolarHBondContact ND2-ND2 3.41Å; N742-N2415 VanDerWaalsContact ND2-ND2 3.18Å; N742-N2415 PolarHBondContact ND2-OD1 3.43Å; N742-N2415 PolarHBondContact OD1-OD1 2.8Å; I743-N2415 HydrophobicContact CD1-CB 3.78Å
2416	L	31.9	Very low	33.8	Very low	53 Å²	53	96.9 Å²	96.9	28%	0.277	53%	0.531	S	S	.	.			trans	-19.5	151.3	132.4	-56.1	178	0	0	0	113	N742 N2420	N742-L2416 VanDerWaalsContact OD1-CD1 3.32Å; N742-L2416 WeakPolarHBondContact OD1-CD1 3.17Å; L2416-N2420 WeakPolarHBondContact CD2-ND2 2.94Å
2417	H	45.1	Very low	34	Very low	43 Å²	43	98.2 Å²	98.2	20%	0.199	53%	0.528	C	S	.	.			cis	-87.9	-153.6	8.6	-115.1	54.6	0	0	0	114.6	T702 N703 P2386 N2420	T702-H2417 CarbonylContact O-C 3.04Å; T702-H2417 VanDerWaalsContact OG1-CA 3.31Å; T702-H2417 WeakPolarHBondContact OG1-CA 3.13Å; T702-H2417 WeakPolarHBondContact OG1-CB 3.44Å; T702-H2417 PolarHBondContact OG1-N 2.82Å; N703-H2417 PolarHBondContact N-O 2.98Å; N703-H2417 PolarHBondContact ND2-O 3.27Å; P2386-H2417 PolarHBondContact O-CE1 3.35Å; P2386-H2417 PolarHBondContact O-NE2 2.73Å; H2417-N2420 PolarHBondContact O-OD1 3.19Å
2418	S	35.5	Very low	34.2	Very low	31 Å²	31	96.4 Å²	96.4	22%	0.217	53%	0.525	C	S	.	.	S	Bend		-140.5	160.2	-121	65.5	0	0	0	0	110.1	T702 N703	T702-S2418 PolarHBondContact O-N 2.84Å; N703-S2418 CarbonylContact C-O 3.53Å; N703-S2418 PolarHBondContact N-O 2.76Å; N703-S2418 CarbonylContact O-C 3.06Å; N703-S2418 WeakPolarHBondContact O-CA 3.03Å
2419	N	41.4	Very low	34.2	Very low	135 Å²	135	95 Å²	95	72%	0.722	53%	0.527	S	S	*	.	S	Bend	cis	-116.1	30.1	39	-53.4	-47.2	0	0	0	117.3	N703 I704	N703-N2419 PolarHBondContact O-N 2.92Å; I704-N2419 CarbonylContact O-C 3.29Å; I704-N2419 VanDerWaalsContact O-C 3.24Å; I704-N2419 PolarHBondContact O-N 2.92Å
2420	N	39.8	Very low	34	Very low	65 Å²	65	93.3 Å²	93.3	35%	0.348	54%	0.536	S	S	.	.			trans	72.4	136	151.9	-65	-30.4	0	0	0	120.5	N703 I704 L705 L2416 H2417	N703-N2420 PolarHBondContact O-N 2.73Å; I704-N2420 HydrophobicContact CD1-CB 4.48Å; I704-N2420 WeakPolarHBondContact CD1-OD1 2.97Å; I704-N2420 PolarHBondContact O-N 2.74Å; I704-N2420 VanDerWaalsContact O-N 3.12Å; L705-N2420 VanDerWaalsContact CB-O 3.23Å; L705-N2420 WeakPolarHBondContact CB-O 3.25Å; L2416-N2420 WeakPolarHBondContact CD2-ND2 2.94Å; H2417-N2420 PolarHBondContact O-OD1 3.19Å
2421	Q	37.8	Very low	34	Very low	64 Å²	64	91.6 Å²	91.6	30%	0.299	54%	0.537	S	S	.	.			cis	-145.6	156	-17.2	-174.7	152.2	76.1	0	0	114.9	I704 L705 N2414	I704-Q2421 HydrophobicContact CD1-CB 3.78Å; I704-Q2421 HydrophobicContact CD1-CG 3.71Å; I704-Q2421 HydrophobicContact CG1-CB 4.32Å; I704-Q2421 HydrophobicContact CG1-CG 4.28Å; L705-Q2421 WeakPolarHBondContact CD1-O 3.39Å; L705-Q2421 VanDerWaalsContact CG-O 3.23Å; L705-Q2421 WeakPolarHBondContact CG-O 3.49Å; N2414-Q2421 PolarHBondContact ND2-OE1 3.26Å
2422	L	35.5	Very low	34	Very low	81 Å²	81	92.7 Å²	92.7	42%	0.424	54%	0.537	S	S	.	.			trans	-40.6	144.2	-171.3	-95.2	73.6	0	0	0	112.2	I704	I704-L2422 HydrophobicContact CB-CD1 4.28Å; I704-L2422 HydrophobicContact CD1-CD1 4.15Å; I704-L2422 HydrophobicContact CG1-CD1 3.28Å; I704-L2422 HydrophobicContact CG1-CG 4.46Å; I704-L2422 HydrophobicContact CG2-CD1 3.88Å; I704-L2422 HydrophobicContact CG2-CG 4.45Å
2423	S	31.8	Very low	33.9	Very low	71 Å²	71	92.4 Å²	92.4	50%	0.497	55%	0.545	S	S	.	.				55.4	152.2	62.2	117.3	0	0	0	0	111.9
2424	T	35	Very low	34	Very low	104 Å²	104	92.5 Å²	92.5	64%	0.638	55%	0.552	S	S	*	*			cis	-169.8	159.5	-9	15.4	0	0	0	0	106.7
2425	I	35.5	Very low	34.1	Very low	162 Å²	162	95.6 Å²	95.6	83%	0.831	57%	0.574	S	S	*	*			trans	70.5	148	150.9	-70.6	160.9	0	0	0	114.1
2426	A	32.8	Very low	34.1	Very low	76 Å²	76	96.3 Å²	96.3	63%	0.628	58%	0.584	S	S	*	*			cis	-134.8	164.6	14.7	0	0	0	0	0	115.3
2427	S	32.1	Very low	34.1	Very low	101 Å²	101	100 Å²	100	71%	0.706	61%	0.609	S	S	*	*			trans	-29.5	174	151.1	52.1	0	0	0	0	118
2428	V	32.9	Very low	33.3	Very low	125 Å²	125	102.6 Å²	102.6	76%	0.758	63%	0.632	S	S	*	*			cis	-147.6	154.6	24.6	-135.6	0	0	0	0	108.2
2429	T	31	Very low	33.2	Very low	127 Å²	127	107.2 Å²	107.2	78%	0.779	66%	0.659	S	S	*	*				-167.6	159	64.3	38.7	0	0	0	0	111.8
2430	A	30.4	Very low	32.7	Very low	96 Å²	96	107.4 Å²	107.4	79%	0.793	67%	0.665	S	S	*	*			trans	31.5	136.9	154.2	0	0	0	0	0	121.3
2431	S	29.3	Very low	32.5	Very low	96 Å²	96	109 Å²	109	67%	0.671	68%	0.681	S	S	*	*			cis	-167.7	-163.5	-1.2	50.7	0	0	0	0	108
2432	E	30.6	Very low	32.4	Very low	157 Å²	157	110 Å²	110	73%	0.734	70%	0.695	S	S	*	*			cis	-167	-170.2	9.3	-143.9	160.5	-79.1	0	0	112.7
2433	T	33.1	Very low	32.3	Very low	108 Å²	108	116.4 Å²	116.4	66%	0.663	72%	0.715	S	S	*	*			trans	39.5	82.7	154.3	45.7	0	0	0	0	121.6
2434	T	30.9	Very low	32.1	Very low	113 Å²	113	119.9 Å²	119.9	69%	0.693	72%	0.723	S	S	*	*				64.8	127.9	116.8	53.5	0	0	0	0	123.6
2435	T	31.8	Very low	31.8	Very low	128 Å²	128	119.5 Å²	119.5	79%	0.785	72%	0.717	S	S	*	*			trans	73.4	140.4	139.6	56.4	0	0	0	0	121
2436	S	31.1	Very low	31.6	Very low	87 Å²	87	117.7 Å²	117.7	61%	0.608	71%	0.709	S	S	*	*			cis	-174.7	139.5	-15.1	49.2	0	0	0	0	113.1
2437	T	32.8	Very low	31.6	Very low	130 Å²	130	116.7 Å²	116.7	80%	0.798	69%	0.691	S	S	*	*			trans	60.8	162	148.9	62.1	0	0	0	0	118.2
2438	S	28.8	Very low	31.7	Very low	97 Å²	97	114.8 Å²	114.8	68%	0.678	67%	0.67	S	S	*	*			cis	-145.8	162.9	5.9	47.5	0	0	0	0	108.2
2439	T	32.5	Very low	31.6	Very low	128 Å²	128	115.6 Å²	115.6	79%	0.785	66%	0.66	S	S	*	*				-169.9	144.7	68.7	34	0	0	0	0	112.9
2440	V	32.5	Very low	31.6	Very low	139 Å²	139	116.6 Å²	116.6	84%	0.842	66%	0.655	S	S	*	*			trans	-130.1	140	149.1	175	0	0	0	0	106.5
2441	S	34.9	Very low	31.6	Very low	98 Å²	98	116.3 Å²	116.3	69%	0.685	64%	0.644	S	S	*	*			trans	-64.8	130.8	-176.6	40.1	0	0	0	0	112.7
2442	S	35.3	Very low	31.6	Very low	85 Å²	85	121.4 Å²	121.4	59%	0.594	65%	0.65	S	S	*	*			cis	83.9	145.8	46.1	79.6	0	0	0	0	113.4
2443	Y	33.9	Very low	31.5	Very low	216 Å²	216	120.6 Å²	120.6	85%	0.847	65%	0.65	S	S	*	*			cis	-151.9	161.1	27.7	-109.9	-66.4	0	0	0	114.5
2444	Q	28.1	Very low	31.3	Very low	144 Å²	144	123.6 Å²	123.6	67%	0.673	66%	0.655	S	S	*	*			trans	-143.7	140.9	150.3	-115.6	-157.3	26.6	0	0	111.1
2445	N	28.2	Very low	31.4	Very low	96 Å²	96	124.4 Å²	124.4	51%	0.513	66%	0.662	S	S	.	*			trans	45.7	133.6	149.4	-58.1	-39.2	0	0	0	120.8
2446	L	31.7	Very low	31.2	Very low	125 Å²	125	123.6 Å²	123.6	65%	0.654	66%	0.657	S	S	*	*				180	150.4	76	-89.8	177.1	0	0	0	115.2
2447	K	32.6	Very low	31.6	Very low	55 Å²	55	125.5 Å²	125.5	24%	0.239	67%	0.667	C	S	.	*				24	157.1	124.9	-72.9	-174	167.2	-71.7	0	122.9	M1633 D1634 N1635 N1636	M1633-K2447 WeakPolarHBondContact CE-O 2.97Å; D1634-K2447 CarbonylContact O-C 3.51Å; D1634-K2447 WeakPolarHBondContact O-CA 3.47Å; N1635-K2447 PolarHBondContact OD1-NZ 3.17Å; N1636-K2447 VanDerWaalsContact O-CG 3.27Å; N1636-K2447 WeakPolarHBondContact O-CG 3.2Å; N1636-K2447 PolarHBondContact OD1-NZ 2.83Å
2448	E	32.5	Very low	31.3	Very low	60 Å²	60	126.9 Å²	126.9	28%	0.28	67%	0.669	S	S	.	*			cis	-156.6	-179.9	-5	-101.9	-122.1	50.3	0	0	112.8	N1632 M1633 D1634 N1635	N1632-E2448 WeakPolarHBondContact CB-O 3.12Å; N1632-E2448 PolarHBondContact ND2-O 2.87Å; N1632-E2448 VanDerWaalsContact ND2-O 3.16Å; M1633-E2448 VanDerWaalsContact C-C 3.45Å; M1633-E2448 CarbonylContact C-O 3.5Å; M1633-E2448 VanDerWaalsContact CB-O 3.24Å; M1633-E2448 WeakPolarHBondContact CB-O 3.36Å; M1633-E2448 CarbonylContact O-C 3.35Å; D1634-E2448 VanDerWaalsContact CA-C 3.4Å; D1634-E2448 PolarHBondContact N-O 3.32Å; D1634-E2448 WeakPolarHBondContact O-CA 3.17Å; D1634-E2448 PolarHBondContact O-N 2.75Å; D1634-E2448 VanDerWaalsContact O-N 3.13Å; N1635-E2448 VanDerWaalsContact ND2-CD 3.32Å; N1635-E2448 PolarHBondContact ND2-OE1 3.49Å; N1635-E2448 VanDerWaalsContact OD1-CG 3.29Å; N1635-E2448 WeakPolarHBondContact OD1-CG 3.41Å; N1635-E2448 PolarHBondContact OD1-OE1 2.75Å; N1635-E2448 PolarHBondContact OD1-OE2 3.42Å
2449	R	32.4	Very low	31.7	Very low	143 Å²	143	127.5 Å²	127.5	54%	0.54	67%	0.671	S	S	.	*			trans	-51.8	154.2	-150.1	-163.1	170.8	-61.5	103.8	17.7	126.2	N1632 M1633 D1634 N1635	N1632-R2449 WeakPolarHBondContact CB-O 3.37Å; N1632-R2449 PolarHBondContact ND2-O 2.82Å; M1633-R2449 CarbonylContact O-C 3.19Å; M1633-R2449 WeakPolarHBondContact O-CA 3.47Å; M1633-R2449 PolarHBondContact O-N 3.47Å; D1634-R2449 WeakPolarHBondContact OD2-CA 3.27Å; D1634-R2449 VanDerWaalsContact OD2-CB 3.31Å; D1634-R2449 WeakPolarHBondContact OD2-CB 3.31Å; D1634-R2449 PolarHBondContact OD2-N 2.88Å; D1634-R2449 IonicContact OD2-NE 2.66Å; N1635-R2449 PolarHBondContact ND2-NH2 3.3Å
2450	E	29.6	Very low	31.6	Very low	147 Å²	147	128.7 Å²	128.7	69%	0.687	67%	0.672	S	S	*	*			trans	-53.5	140.3	166.1	-88	-159.7	143.8	0	0	118.3	M1633	M1633-E2450 PolarHBondContact O-N 3.38Å
2451	V	30.4	Very low	31.4	Very low	91 Å²	91	129.7 Å²	129.7	55%	0.552	67%	0.667	S	S	*	*			trans	54.8	147.2	134.9	-164.4	0	0	0	0	122.6
2452	Y	30.1	Very low	31	Very low	203 Å²	203	130.9 Å²	130.9	80%	0.796	67%	0.67	S	S	*	*			trans	87	136.2	172.5	-63.3	-65.1	0	0	0	117.3
2453	N	29.2	Very low	30.6	Very low	139 Å²	139	136.4 Å²	136.4	74%	0.743	68%	0.679	S	S	*	*			cis	-144	161.9	2.9	-142.2	-26.3	0	0	0	114.4
2454	F	28.4	Very low	30.4	Very low	172 Å²	172	132.6 Å²	132.6	75%	0.754	67%	0.672	S	S	*	*			trans	-79.7	171.9	177	-89.4	-102.7	0	0	0	112.4
2455	P	33.1	Very low	30.8	Very low	130 Å²	130	133.4 Å²	133.4	84%	0.844	68%	0.681	S	S	*	*				-139.6	118.7	97.1	34.9	-20.4	0	0	0	114.9
2456	V	28.1	Very low	31.3	Very low	111 Å²	111	132.9 Å²	132.9	67%	0.673	68%	0.683	S	S	*	*	S	Bend	trans	-117.6	138.6	141.5	176.9	0	0	0	0	105.5
2457	P	37.6	Very low	31.1	Very low	126 Å²	126	134.8 Å²	134.8	82%	0.818	69%	0.686	S	S	*	*			trans	-63.4	144.3	-168.4	-25.2	35.9	0	0	0	114.7
2458	N	27.3	Very low	31	Very low	159 Å²	159	139.5 Å²	139.5	85%	0.85	71%	0.709	S	S	*	*			trans	-73.1	156.9	-178.1	-106.4	-17.5	0	0	0	113.5
2459	P	38.2	Very low	31	Very low	111 Å²	111	141.5 Å²	141.5	72%	0.721	73%	0.73	S	S	*	*			trans	-85.3	-178.7	173.2	38.8	-37.1	0	0	0	111.7
2460	L	29.5	Very low	31	Very low	152 Å²	152	139.4 Å²	139.4	80%	0.796	74%	0.737	S	S	*	*			trans	-153.2	159.4	153.3	-114	175.1	0	0	0	112.6
2461	H	29.3	Very low	31.2	Very low	160 Å²	160	138.9 Å²	138.9	74%	0.741	74%	0.739	S	S	*	*			trans	59.8	96.9	173	-74	-66	0	0	0	120
2462	T	24.5	Very low	31.3	Very low	123 Å²	123	138.7 Å²	138.7	76%	0.755	74%	0.742	S	S	*	*				-72.2	139.1	119.6	43.7	0	0	0	0	110
2463	Y	27.2	Very low	31.4	Very low	202 Å²	202	136.3 Å²	136.3	79%	0.792	74%	0.742	S	S	*	*			trans	-177.2	145.4	130.9	-118.7	-126.1	0	0	0	111.7
2464	I	29.6	Very low	31.6	Very low	136 Å²	136	139.5 Å²	139.5	70%	0.697	75%	0.745	S	S	*	*			trans	62	98.9	158.4	-62.2	172.9	0	0	0	118.6
2465	N	36.7	Very low	31.9	Very low	160 Å²	160	133 Å²	133	86%	0.856	72%	0.72	S	S	*	*				-71.3	150.9	116.9	-84.5	-27	0	0	0	107.3
2466	P	40	Very low	32	Very low	85 Å²	85	128 Å²	128	55%	0.552	69%	0.689	S	S	*	*			cis	-154.5	-149.5	49.5	44.5	-22.6	0	0	0	114.8
2467	F	27.7	Very low	32.3	Very low	166 Å²	166	125.5 Å²	125.5	73%	0.728	67%	0.669	S	S	*	*			trans	119.8	146.9	153.5	-70.3	-55.6	0	0	0	116.3
2468	H	29.9	Very low	32.1	Very low	153 Å²	153	124.1 Å²	124.1	71%	0.708	65%	0.654	S	S	*	*			cis	-150.8	170.1	7.1	-132.6	-55	0	0	0	114.4
2469	S	31.2	Very low	32.4	Very low	103 Å²	103	123.7 Å²	123.7	72%	0.72	65%	0.647	S	S	*	*			trans	86.5	145	157.8	80.7	0	0	0	0	116.9
2470	S	33.6	Very low	32	Very low	99 Å²	99	123 Å²	123	69%	0.692	65%	0.645	S	S	*	*			cis	-172.5	165	-11.8	44.3	0	0	0	0	108.4
2471	N	32.6	Very low	32.1	Very low	136 Å²	136	121.7 Å²	121.7	73%	0.727	64%	0.643	S	S	*	*			cis	-162.5	163.7	-13.3	-99.2	23.2	0	0	0	105.5
2472	S	33.7	Very low	32.2	Very low	87 Å²	87	123 Å²	123	61%	0.608	65%	0.647	S	S	*	*			cis	72.1	140.3	34.7	84	0	0	0	0	113.9
2473	L	31.5	Very low	32.4	Very low	152 Å²	152	125.5 Å²	125.5	80%	0.796	65%	0.65	S	S	*	*			cis	-156.8	-173.1	26.4	-81.3	175.6	0	0	0	110
2474	Y	34.3	Very low	32.3	Very low	206 Å²	206	123.9 Å²	123.9	81%	0.808	65%	0.65	S	S	*	*			cis	166.7	-164.8	-34.3	-158.3	-109.2	0	0	0	109.8
2475	S	33.4	Very low	32.5	Very low	35 Å²	35	123.7 Å²	123.7	25%	0.245	66%	0.657	C	S	.	*			trans	77.5	149.4	161.7	-161.5	0	0	0	0	115.2	L630 H631 R632	L630-S2475 VanDerWaalsContact O-CB 3.3Å; L630-S2475 WeakPolarHBondContact O-CB 3.42Å; L630-S2475 PolarHBondContact O-OG 2.69Å; H631-S2475 CarbonylContact C-O 3.55Å; H631-S2475 PolarHBondContact N-OG 2.85Å; R632-S2475 CarbonylContact C-O 3.23Å; R632-S2475 WeakPolarHBondContact CA-O 3.28Å; R632-S2475 PolarHBondContact N-O 2.99Å; R632-S2475 VanDerWaalsContact N-O 3.11Å
2476	S	35.2	Very low	32	Very low	26 Å²	26	121.1 Å²	121.1	18%	0.182	65%	0.648	C	S	.	*			cis	-171.1	165.9	-16.9	43.2	0	0	0	0	105.7	T629 H631 E633	T629-S2476 WeakPolarHBondContact CG2-OG 3.39Å; H631-S2476 PolarHBondContact CE1-O 2.81Å; H631-S2476 PolarHBondContact ND1-O 3.37Å; E633-S2476 VanDerWaalsContact CG-O 3.28Å; E633-S2476 WeakPolarHBondContact CG-O 3.46Å
2477	F	35.4	Very low	31.4	Very low	59 Å²	59	126.3 Å²	126.3	26%	0.259	66%	0.662	S	S	.	*				175.4	162.1	68.8	-129.7	-35.7	0	0	0	116.2	T629 L630 H631 R635	T629-F2477 VanDerWaalsContact CB-CE1 3.5Å; T629-F2477 HydrophobicContact CG2-CD1 3.67Å; T629-F2477 HydrophobicContact CG2-CD2 4.23Å; T629-F2477 HydrophobicContact CG2-CE1 3.45Å; T629-F2477 VanDerWaalsContact CG2-CE1 3.45Å; T629-F2477 HydrophobicContact CG2-CE2 4.02Å; T629-F2477 HydrophobicContact CG2-CG 4.12Å; T629-F2477 HydrophobicContact CG2-CZ 3.68Å; T629-F2477 WeakPolarHBondContact OG1-CE1 3.12Å; T629-F2477 WeakPolarHBondContact OG1-CZ 3.49Å; L630-F2477 HydrophobicContact CD2-CE2 4.13Å; H631-F2477 AromaticContact CE1-CD2 3.68Å; H631-F2477 AromaticContact ND1-CD2 3.75Å; H631-F2477 AromaticContact NE2-CD2 3.92Å; R635-F2477 PolarHBondContact NH1-O 3.21Å
2478	L	32.9	Very low	31.6	Very low	97 Å²	97	124.9 Å²	124.9	51%	0.508	67%	0.667	S	S	.	*			trans	78.5	117.1	146.3	-69	-171.8	0	0	0	125.7	R635	R635-L2478 PolarHBondContact NH1-O 3.2Å
2479	Q	33.3	Very low	31.6	Very low	149 Å²	149	122.5 Å²	122.5	70%	0.696	67%	0.667	S	S	*	*			trans	65.8	147.7	150.2	-90.6	105.9	24.6	0	0	119.2
2480	S	29.8	Very low	31.6	Very low	97 Å²	97	122.9 Å²	122.9	68%	0.678	67%	0.67	S	S	*	*			cis	-168.5	152.5	-3.3	45.3	0	0	0	0	116
2481	V	32.3	Very low	31.5	Very low	124 Å²	124	123.1 Å²	123.1	75%	0.752	67%	0.672	S	S	*	*			trans	85.4	108.3	137.1	160.5	0	0	0	0	121.3
2482	F	31.4	Very low	31.6	Very low	187 Å²	187	121.3 Å²	121.3	82%	0.82	67%	0.669	S	S	*	*			trans	79.1	158.3	136.7	-83.5	-103.1	0	0	0	124.8
2483	E	28.8	Very low	31.5	Very low	177 Å²	177	121.7 Å²	121.7	83%	0.827	67%	0.672	S	S	*	*			trans	-99.3	-164.1	-171.5	-61.3	159.9	123.3	0	0	112.2
2484	E	25.9	Very low	31.5	Very low	168 Å²	168	119.7 Å²	119.7	79%	0.785	67%	0.671	S	S	*	*			trans	-58.3	160.8	-175.5	-46.9	-172.8	148.6	0	0	115.1
2485	P	32.8	Very low	31.4	Very low	131 Å²	131	114.8 Å²	114.8	85%	0.851	67%	0.667	S	S	*	*				-140.9	-179.5	93.8	40.3	-27.7	0	0	0	115.2
2486	T	26.1	Very low	31.4	Very low	107 Å²	107	118.7 Å²	118.7	66%	0.656	69%	0.692	S	S	*	*			trans	-110.7	160.3	-161.5	30.6	0	0	0	0	116.4
2487	F	27.7	Very low	31.1	Very low	194 Å²	194	122.6 Å²	122.6	85%	0.851	72%	0.719	S	S	*	*			trans	49.4	110.3	150.1	-85.1	-74.2	0	0	0	122.5
2488	T	31.5	Very low	31.2	Very low	135 Å²	135	125 Å²	125	83%	0.828	74%	0.74	S	S	*	*			trans	-159.1	145	130.6	49.1	0	0	0	0	108.5
2489	S	30.2	Very low	31	Very low	104 Å²	104	125.5 Å²	125.5	73%	0.727	75%	0.752	S	S	*	*			cis	-179.4	140	-18.7	49.9	0	0	0	0	106
2490	S	31.2	Very low	30.9	Very low	110 Å²	110	123.5 Å²	123.5	77%	0.769	75%	0.745	S	S	*	*			cis	-154.9	-172.1	-11.4	53.8	0	0	0	0	105.5
2491	S	31.9	Very low	30.9	Very low	105 Å²	105	122.5 Å²	122.5	73%	0.734	73%	0.732	S	S	*	*			cis	-157	-178.6	23.1	-36.1	0	0	0	0	108.2
2492	S	33.5	Very low	30.9	Very low	97 Å²	97	121.7 Å²	121.7	68%	0.678	72%	0.723	S	S	*	*			cis	-148.7	153.8	4.6	49.6	0	0	0	0	110.9
2493	S	31.7	Very low	30.8	Very low	96 Å²	96	117 Å²	117	67%	0.671	71%	0.713	S	S	*	*			trans	51	98.9	149.7	58.1	0	0	0	0	117.8
2494	S	32.2	Very low	30.9	Very low	110 Å²	110	113.2 Å²	113.2	77%	0.769	71%	0.707	S	S	*	*				81.9	149	83.9	70.6	0	0	0	0	113.6
2495	S	32	Very low	31.2	Very low	102 Å²	102	110.8 Å²	110.8	71%	0.713	71%	0.708	S	S	*	*			cis	-173.2	158.2	-4.7	36.4	0	0	0	0	108.9
2496	P	34.9	Very low	31.2	Very low	118 Å²	118	109.6 Å²	109.6	77%	0.766	70%	0.703	S	S	*	*			trans	-81.8	138.7	170.7	33.5	-33.3	0	0	0	112.2
2497	S	27.6	Very low	31.5	Very low	107 Å²	107	109 Å²	109	75%	0.748	70%	0.703	S	S	*	*			trans	173.4	149	143.7	-81.5	0	0	0	0	111.9
2498	P	37.2	Very low	31.9	Very low	110 Å²	110	106.1 Å²	106.1	71%	0.714	70%	0.701	S	S	*	*			trans	-90.5	151	172.9	36.1	-33.5	0	0	0	112.3
2499	S	28.7	Very low	31.9	Very low	108 Å²	108	107.3 Å²	107.3	76%	0.755	70%	0.697	S	S	*	*			trans	-173.5	119.6	151.8	-92.3	0	0	0	0	114
2500	L	31.4	Very low	32.1	Very low	106 Å²	106	110.2 Å²	110.2	56%	0.555	70%	0.704	S	S	*	*			trans	63.8	148.4	146.2	-46.3	177.2	0	0	0	118.7	C244	C244-L2500 CarbonylContact C-O 3.6Å
2501	L	29.6	Very low	32.1	Very low	76 Å²	76	108.2 Å²	108.2	40%	0.398	70%	0.7	S	S	.	*			cis	-172.6	140.5	-24	-112.8	179.6	0	0	0	105.9	E243 C244	E243-L2501 WeakPolarHBondContact CA-O 3.48Å; E243-L2501 WeakPolarHBondContact CB-O 3.23Å; E243-L2501 VanDerWaalsContact CG-O 3.24Å; E243-L2501 WeakPolarHBondContact CG-O 3.33Å; C244-L2501 WeakPolarHBondContact CA-O 3.34Å
2502	L	32	Very low	32.1	Very low	107 Å²	107	111 Å²	111	56%	0.56	70%	0.702	S	S	*	*			trans	60.9	-177.7	159.3	-60.2	162.1	0	0	0	114.6	E243 C244 S245	E243-L2502 HydrophobicContact CG-CB 3.99Å; E243-L2502 WeakPolarHBondContact OE1-CB 3.34Å; C244-L2502 VanDerWaalsContact CA-O 3.25Å; C244-L2502 WeakPolarHBondContact CA-O 3.45Å; C244-L2502 WeakPolarHBondContact CB-O 3.41Å; S245-L2502 PolarHBondContact N-O 3.08Å
2503	S	30.2	Very low	32	Very low	89 Å²	89	114.8 Å²	114.8	62%	0.622	71%	0.706	S	S	*	*			cis	-136	167.9	-37.5	43.4	0	0	0	0	110.3	E243	E243-S2503 PolarHBondContact OE1-N 3.45Å; E243-S2503 PolarHBondContact OE1-OG 2.8Å
2504	S	30.3	Very low	32	Very low	98 Å²	98	115.2 Å²	115.2	69%	0.685	70%	0.701	S	S	*	*			trans	-104.8	139.5	-163.8	56	0	0	0	0	115.7
2505	S	32.1	Very low	32	Very low	117 Å²	117	115.9 Å²	115.9	82%	0.818	69%	0.692	S	S	*	*			trans	68.1	157.2	155.2	84.3	0	0	0	0	116.6
2506	S	33	Very low	31.9	Very low	105 Å²	105	117.1 Å²	117.1	73%	0.734	69%	0.69	S	S	*	*			cis	-152	173.8	5.3	52.8	0	0	0	0	108.4
2507	S	33	Very low	31.7	Very low	94 Å²	94	116.4 Å²	116.4	66%	0.657	68%	0.675	S	S	*	*				168.1	158.4	64	49.6	0	0	0	0	112.6
2508	T	35.8	Very low	31.9	Very low	134 Å²	134	115.9 Å²	115.9	82%	0.822	67%	0.667	S	S	*	*			trans	179.1	121.3	146.6	16.3	0	0	0	0	107.3
2509	H	32.2	Very low	31.4	Very low	161 Å²	161	117.8 Å²	117.8	75%	0.745	67%	0.671	S	S	*	*				55.2	125.2	69.9	-81.4	-82.3	0	0	0	113.3
2510	L	32.9	Very low	31.4	Very low	164 Å²	164	116.2 Å²	116.2	86%	0.859	67%	0.665	S	S	*	*			cis	-146	175.8	-0.1	-58.2	99.4	0	0	0	109.3
2511	G	31.5	Very low	31.2	Very low	68 Å²	68	117.6 Å²	117.6	70%	0.701	67%	0.673	S	S	*	*			cis	140.8	135.7	-11	0	0	0	0	0	115.2
2512	H	31.8	Very low	31.9	Very low	164 Å²	164	119 Å²	119	76%	0.759	69%	0.686	S	S	*	*			trans	71.9	137.7	166.5	-88.7	-87.2	0	0	0	123.1
2513	F	33.1	Very low	31.8	Very low	177 Å²	177	120.1 Å²	120.1	78%	0.776	69%	0.691	S	S	*	*			trans	64.4	150.3	144.7	-74.5	-41.9	0	0	0	121.2
2514	N	30.8	Very low	32	Very low	105 Å²	105	120.7 Å²	120.7	56%	0.561	70%	0.696	S	S	*	*			cis	-165.2	144.6	-19.7	-160.8	20.7	0	0	0	111.1
2515	Q	32.2	Very low	32	Very low	123 Å²	123	123 Å²	123	58%	0.575	70%	0.7	S	S	*	*			trans	55.6	-171.6	156.1	-77.5	169.8	27.1	0	0	119.2	A686 T687	A686-Q2515 CarbonylContact O-C 3.03Å; A686-Q2515 VanDerWaalsContact O-CA 3.29Å; A686-Q2515 WeakPolarHBondContact O-CA 3.29Å; T687-Q2515 HydrophobicContact CG2-CB 4.05Å; T687-Q2515 HydrophobicContact CG2-CG 4.11Å
2516	L	30.8	Very low	31.9	Very low	129 Å²	129	124 Å²	124	68%	0.675	70%	0.697	S	S	*	*			trans	83.8	142.3	-177.6	-50.3	-176.1	0	0	0	116.9	S685 A686 T687	S685-L2516 CarbonylContact C-O 3.03Å; S685-L2516 WeakPolarHBondContact CA-O 3.22Å; S685-L2516 VanDerWaalsContact CB-O 3.29Å; S685-L2516 WeakPolarHBondContact CB-O 3.44Å; A686-L2516 CarbonylContact C-O 2.96Å; A686-L2516 VanDerWaalsContact CA-O 3.31Å; A686-L2516 WeakPolarHBondContact CA-O 3.41Å; A686-L2516 PolarHBondContact N-O 3.18Å; A686-L2516 PolarHBondContact O-N 2.87Å; T687-L2516 WeakPolarHBondContact OG1-CA 3.38Å; T687-L2516 PolarHBondContact OG1-N 2.76Å
2517	F	29.3	Very low	31.8	Very low	102 Å²	102	126.5 Å²	126.5	45%	0.447	70%	0.701	S	S	.	*			trans	-149.4	177.4	-151.4	-163.4	-149.9	0	0	0	117.1	S685 A686 T687 I688	S685-F2517 WeakPolarHBondContact O-CD2 3.03Å; A686-F2517 VanDerWaalsContact CA-CD2 3.49Å; A686-F2517 HydrophobicContact CB-CD2 3.81Å; A686-F2517 HydrophobicContact CB-CE2 4.01Å; T687-F2517 WeakPolarHBondContact OG1-CB 3.27Å; I688-F2517 VanDerWaalsContact O-CE1 3.24Å; I688-F2517 WeakPolarHBondContact O-CE1 3.28Å
2518	V	32	Very low	31.7	Very low	96 Å²	96	127.7 Å²	127.7	58%	0.582	70%	0.704	S	S	*	*			trans	-18.8	138.9	157.6	164.9	0	0	0	0	114.9
2519	N	26.9	Very low	31.4	Very low	151 Å²	151	127.7 Å²	127.7	81%	0.807	70%	0.703	S	S	*	*			cis	-149.2	-170.8	37	-145.2	-11.2	0	0	0	115.3
2520	A	28.9	Very low	30.9	Very low	75 Å²	75	125.2 Å²	125.2	62%	0.62	70%	0.703	S	S	*	*			trans	-25.6	166.7	166.8	0	0	0	0	0	119.1
2521	D	27.2	Very low	30.6	Very low	134 Å²	134	124.4 Å²	124.4	72%	0.717	70%	0.699	S	S	*	*			cis	-161.1	-157.6	28.7	-133.2	-27.1	0	0	0	108.9
2522	P	44.7	Very low	30.4	Very low	106 Å²	106	128.9 Å²	128.9	69%	0.688	70%	0.704	S	S	*	*			cis	-138.6	143.7	11.5	39.8	-18.4	0	0	0	119.8
2523	I	29.2	Very low	30.4	Very low	130 Å²	130	126 Å²	126	67%	0.667	70%	0.703	S	S	*	*				53.5	140	120.8	-49.6	165.3	0	0	0	121.9
2524	S	33.9	Very low	30.6	Very low	102 Å²	102	123.1 Å²	123.1	71%	0.713	70%	0.7	S	S	*	*			trans	118.7	142.6	147.5	76.5	0	0	0	0	116.4
2525	N	31.8	Very low	30.8	Very low	145 Å²	145	125.6 Å²	125.6	78%	0.775	71%	0.71	S	S	*	*			cis	-156.4	167.9	-15.3	-118	-18.9	0	0	0	112.6
2526	N	28	Very low	30.8	Very low	140 Å²	140	125.2 Å²	125.2	75%	0.749	71%	0.711	S	S	*	*			trans	-70.6	156.5	170.2	-56	-67.2	0	0	0	112.6
2527	L	30.9	Very low	30.9	Very low	156 Å²	156	124.4 Å²	124.4	82%	0.817	71%	0.712	S	S	*	*				175.9	125.6	120.5	-113.2	79	0	0	0	114.5
2528	V	30.9	Very low	30.9	Very low	119 Å²	119	126.5 Å²	126.5	72%	0.721	73%	0.728	S	S	*	*				48.7	126.2	111.6	178.7	0	0	0	0	121.4
2529	V	30	Very low	30.8	Very low	134 Å²	134	127 Å²	127	81%	0.812	74%	0.735	S	S	*	*			trans	82	145.2	149.9	161.8	0	0	0	0	121.5
2530	C	22.3	Very low	31	Very low	110 Å²	110	122.7 Å²	122.7	74%	0.743	72%	0.72	S	S	*	*			trans	-59.1	139.7	179.3	-46.9	0	0	0	0	115.8
2531	N	26.5	Very low	31.8	Very low	146 Å²	146	124.2 Å²	124.2	78%	0.781	72%	0.724	S	S	*	*				-156.3	129.2	120.7	-99.7	-30.3	0	0	0	108.5
2532	M	28	Very low	32.2	Very low	163 Å²	163	120.6 Å²	120.6	80%	0.803	70%	0.702	S	S	*	*				53.4	96.9	95.7	-75	-154.8	167.4	0	0	112.4
2533	S	31.1	Very low	31.6	Very low	104 Å²	104	122.6 Å²	122.6	73%	0.727	70%	0.701	S	S	*	*				94.7	141.4	82.8	72.1	0	0	0	0	110
2534	T	37.1	Very low	31.8	Very low	116 Å²	116	120.6 Å²	120.6	71%	0.712	70%	0.699	S	S	*	*			cis	-146.2	171.3	22.7	44.5	0	0	0	0	108.5
2535	M	34	Very low	31.8	Very low	157 Å²	157	120.5 Å²	120.5	77%	0.773	70%	0.698	S	S	*	*			cis	-169.7	163.1	-10.9	-104	163.8	154.4	0	0	106.6
2536	D	32.6	Very low	31.8	Very low	114 Å²	114	123 Å²	123	61%	0.61	71%	0.712	S	S	*	*			cis	-149.5	145.1	-3.1	-134.5	-34.5	0	0	0	112.9
2537	T	32.9	Very low	31.9	Very low	113 Å²	113	122.2 Å²	122.2	69%	0.693	71%	0.71	S	S	*	*			trans	18.2	114.2	154.7	41.9	0	0	0	0	125.9
2538	D	29.4	Very low	32	Very low	146 Å²	146	120.4 Å²	120.4	78%	0.781	70%	0.704	S	S	*	*				42.4	150.1	92.2	-82	-19.2	0	0	0	122.7
2539	C	30.4	Very low	32.1	Very low	106 Å²	106	120.5 Å²	120.5	72%	0.716	70%	0.703	S	S	*	*			cis	-163.1	-166	-15.5	-139.3	0	0	0	0	112.6
2540	A	31.5	Very low	32.2	Very low	60 Å²	60	119.7 Å²	119.7	50%	0.496	70%	0.697	S	S	.	*			trans	-119.8	175.9	-160.8	0	0	0	0	0	116.1	N293	N293-A2540 PolarHBondContact N-O 2.99Å
2541	P	45.9	Very low	32.8	Very low	108 Å²	108	120.3 Å²	120.3	70%	0.701	69%	0.694	S	S	*	*			trans	-86.7	171.9	-162.3	37.7	-38	0	0	0	115.3	N293	N293-P2541 CarbonylContact O-C 3.15Å; N293-P2541 WeakPolarHBondContact O-CA 3.46Å
2542	F	34.6	Very low	33.2	Very low	58 Å²	58	118.6 Å²	118.6	25%	0.254	69%	0.688	S	S	.	*			trans	-152.5	113.9	166.9	-120.6	-93.1	0	0	0	115.2	T292 N293 S294	T292-F2542 VanDerWaalsContact C-CD2 3.49Å; T292-F2542 WeakPolarHBondContact O-CD2 2.99Å; N293-F2542 PolarHBondContact O-N 2.71Å; S294-F2542 WeakPolarHBondContact CA-O 3.01Å; S294-F2542 WeakPolarHBondContact CB-O 3.4Å; S294-F2542 WeakPolarHBondContact OG-CB 3.5Å; S294-F2542 PolarHBondContact OG-O 2.73Å
2543	H	32.7	Very low	33.6	Very low	148 Å²	148	115.4 Å²	115.4	69%	0.685	68%	0.68	S	S	*	*			trans	62	155.8	138.5	-77.5	-114.8	0	0	0	121.1
2544	S	33.2	Very low	33.8	Very low	87 Å²	87	116.3 Å²	116.3	61%	0.608	68%	0.676	S	S	*	*			cis	-169.4	154.2	-8.8	41.1	0	0	0	0	113.4
2545	S	33.3	Very low	33.5	Very low	100 Å²	100	116.3 Å²	116.3	70%	0.699	67%	0.673	S	S	*	*			trans	57.2	147.5	151.6	54.3	0	0	0	0	119.7
2546	N	31.6	Very low	33.5	Very low	199 Å²	199	112.6 Å²	112.6	100%	1.064	66%	0.664	S	S	*	*			cis	-70.1	0	3.2	-72.1	-58.3	0	0	0	114.4

Retrieved 2,546 of 2,546 residues in 2100.6 ms (Link to these results)

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