A0A5K4FC89_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4FC89, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,548 aa.

						>A0A5K4FC89_SCHMA|A0A5K4FC89
MSDHFSPKPDDHNLPERPNQRFSEASATLHSSTPSKPVASCPLGRPIHNLSLRRGSSIHTSHDLKSPSHRWAASDRLRLIHFLQDIQLDRALDVLPDNCTYEDLLKCTLEELRSVFTGCLGESEINSLYSDLHSYESSGYTTESHSRSEECQPRRCSETCESDQVRQTSTGAHRRSRPLLGSFSCASSEPHSDCAKTKSNATSWGTAGEETSIGECSVIKMDAEQPKTVKRASSLSSGDIPQIQSNYRPSSLSISSALTDSHSLSLQEDGNVNSISFSGPCSTYTGLTTSEFEKDLQSQSVCDNQFKDHSIANSTLPVSCKVQKQQANTNPCSVISSASYSIPICQQVSNELQLSPYFSSRLSSYDGHSIPSTLLRIKGSFIGQSAPNLLYYKRDPNYNQFVHCRNSYQNVSSAYTPPSSLKSPESFICSKAPNSPKYEAIVRQSKVSTNQSLLGSTSGALKNIDENTQTLTSLPFHTQRRSMLVSGLDSLSGSSGCMADRSMSSPAPSNEPDSPVFSTASLAHSDIPYFLSPKNSVVAYEPPQLTRSSDLSGENSKTGMPCTHQSISKPQDKTTPQLKKPQANCKAFASKNIDTIPLQGSCDASLFNEKRSFIPRLHLGRKHTLDRRRWSLASLPSSGYGTNTSESGSHLSRSRCSSRENVSHGLHPQTNTLYANDRGISARSKYQTSIQTPNKSIPIERSYSMRSPSISVYSQLPNSKSPLSLSSSAGQNTESPNLCFISRSPKESCTTETRSDISVSNVLPFLYTSVYSADSKSVPHTPVTRASPRMNHSSISAVQTCYNSSFDSCRTRSRSLSPLRVSNVGGEQDILLLNHVYRERFPKASAHMQEQLASLADEMEHMDTVSWSAVARFVHCQVVQHARDCLQKALSGLVTCRYFYEMTENLSKLVEDTRTRDSDSIPLVVTFVRRLLLIIARPARLLECLEFDPSEFYQMLEVAESHVRHRTNSVNVPASQIISADVPLYIISKLGLSKTVLDDSQNIKASHLCSPNLNDPHHSEKFKSGSTIRVRTTSGSNLNSCMHTDDEIVSRTARSNSSCVLIRPPCEADFDVIKLISNGAYGAVYLVRHKITRQRFSLKKIRKQHLQLRNQVEQVFAERDIMSFADNPFVVSLCCTFETKKCLCMVMEYVEGGDVATLLKHIGGPLPLDLARMYFAETVLALEYLHNYGIVHRDLKPDNLLITHEGHIKLTDFGLSRIGLMNLATNLYEKNLDLEKDCKMFRDKQVFGTPEYIAPEVILRQGYGKPVDWWSMGIMLYEFLVGCVPFCGATIEELFDNIVTAPIDWPEEEEWKVTPPAVDLITRLLERDPLLRLGTIGGSSEVKETVFFSGPGAVDWKNLLRQKATFVPQLEHDEDTSYFDPRTDRYKHDVENDEDVYIPMDYAVYSNRSSPAPHLSVSRNFSFNSSADQSLTNIIRRPAASRLGRAKQQAAEHKRSHSLGDSNNLFLRSFKSRSKSRSIRDSPINTPQSFIHSELSSSSSQRSLCQQKYDSEKIEHDLVTSTLTAESVASRNALHILQNLSLTSSTIENSTCSKLLSENSIHSQQSMTSGIKLEKLNIDVTKSEVSDDDHSDNQNITDDSRTFHYFSSYSPRFSVVLEQARMNELRNNSNTSLNSNDVDPVSEKNPLHTSSPRINLASSNNFNIKRGNPELPKGNCKFAPVEQQSITNKQNRISDHSLNNFQSNTNSSNFQSSDIPSAPESFKCDQFCSEIVNPSVVIPSITHTSTESATPILLNVKESDKFYVIPDASKHSKSSESDSNSSLELFQNDSSIRFPGNSTREDEPTIYQPITLVSSEPIEKPSPMSINCPNSEHFASHTASHSSTSSSSSSKSSLSLTTITPHLTPHTQSLFSPISEHDSALHKGPWFLNVDLKPDEEHLNVCPYQHTPRPFMSFKSTSPVLCQSSGTSATKSDMYCSHSPSSSGPLLFNNPSRIIHLPVSPVGHKPPSLRPFMPYTLGIPRQAIIINKGKQGFGFVFRAIRVFFGLSDAYTLHHLVLGVVPHGPAAKAGLKEADLILSVNDVSTIGMYHTDVVKLILQSGTTLRLHATPISQTFIRSDGPYRSSGRLVPRVTSAHLLNNNNNNNNTTRYSSQIPDKHTCTPCNPLMSCHSNSPEIISKDVSSLPFDGKSYASVCASSNSRHTDEVAKRITRRLTIREARHRHLNNGAYESKVQHVQPDTNLNCCIHQSDSIPNNAYMDKSKNCYCQPVTCSKGSAQTYASVAAQRFGISLGQTSTHPISSNSISQNNIMFFPAHRRSLEKPLIRQLSERQHRAMFSTPDDMSLTNSPAVYSPRNTIPYSSPHQSPRSDHFQKQNVFSSHRPSLTVTSSFSGSSFSSGWCSGGDLSSHSSPGSGSSSAASVPRPCDSSHSSLNPFQQGRFGSLRASYHSATQFLNSNLDNSSVKMTFARQQAPKSTFITQNSNGSQCRHSDPIRHAKISNDTRTVSSVVPNLQNSNNNLSASIQTPAFTPPPPQTVVQKMDSDKFSIQANALVSSGQVKLRRHSHRFAVQHVTSPKSPAESSDEKSKNY
					

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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	33.9	Very low	29.3	Very low	201 Å²	201	120.3 Å²	120.3	99%	0.99	65%	0.651	S	S	*	*				0	132.2	0	-79.7	173.2	158.3	0	0	106.3
2	S	30.7	Very low	29.7	Very low	94 Å²	94	125.8 Å²	125.8	66%	0.657	67%	0.669	S	S	*	*				68.3	106.6	51.8	-54.2	0	0	0	0	110.2
3	D	27.8	Very low	29.8	Very low	130 Å²	130	123 Å²	123	70%	0.695	65%	0.654	S	S	*	*				108.1	168.5	59.3	-83.3	-44.7	0	0	0	107
4	H	28.3	Very low	29.6	Very low	142 Å²	142	126.1 Å²	126.1	66%	0.657	67%	0.67	S	S	*	*			trans	29.7	128.5	142.8	-63.8	-43.8	0	0	0	120.4
5	F	26.5	Very low	30.7	Very low	165 Å²	165	125 Å²	125	72%	0.724	67%	0.673	S	S	*	*			cis	169.7	159.4	-4.5	-123.7	-161.6	0	0	0	105.4
6	S	26.4	Very low	30.5	Very low	97 Å²	97	129.3 Å²	129.3	68%	0.678	69%	0.687	S	S	*	*			trans	62.5	174.7	145.3	-63.8	0	0	0	0	118.4
7	P	31	Very low	31.2	Very low	113 Å²	113	135.2 Å²	135.2	73%	0.734	70%	0.698	S	S	*	*			cis	-111.7	-175.4	-40.1	23.5	-1.2	0	0	0	108.3
8	K	35.7	Very low	31.2	Very low	147 Å²	147	134.3 Å²	134.3	64%	0.639	70%	0.702	S	S	*	*				43.4	138.5	59.2	-85.2	165.5	164.9	-81.5	0	111.3	D10	K8-D10 IonicContact NZ-OD1 2.68Å; K8-D10 PolarHBondContact NZ-OD1 3.36Å; K8-D10 IonicContact NZ-OD2 3.67Å; K8-D10 PolarHBondContact NZ-OD2 2.9Å
9	P	31.2	Very low	30.9	Very low	120 Å²	120	134.7 Å²	134.7	78%	0.779	71%	0.705	S	S	*	*			cis	-100.7	150.6	39.4	-0.1	23	0	0	0	111.6
10	D	24.1	Very low	30.6	Very low	83 Å²	83	136.8 Å²	136.8	44%	0.444	71%	0.711	S	S	.	*				71.4	118.5	55.1	-55.5	-47.4	0	0	0	111.5	K8	K8-D10 IonicContact NZ-OD1 2.68Å; K8-D10 PolarHBondContact NZ-OD1 3.36Å; K8-D10 IonicContact NZ-OD2 3.67Å; K8-D10 PolarHBondContact NZ-OD2 2.9Å
11	D	27.3	Very low	31.1	Very low	31 Å²	31	141.2 Å²	141.2	17%	0.166	72%	0.718	C	S	.	*				55.4	96.7	79.4	-97.5	-62.9	0	0	0	112.1	N13 H1862	D11-N13 PolarHBondContact OD1-ND2 3.31Å; D11-H1862 VanDerWaalsContact CG-CE1 3.5Å; D11-H1862 PolarHBondContact N-CE1 3.31Å; D11-H1862 IonicContact OD1-CE1 2.59Å; D11-H1862 IonicContact OD1-CG 2.94Å; D11-H1862 IonicContact OD1-ND1 3.81Å; D11-H1862 PolarHBondContact OD1-ND1 3.38Å; D11-H1862 IonicContact OD2-CE1 3.43Å; D11-H1862 PolarHBondContact OD2-CE1 2.8Å; D11-H1862 VanDerWaalsContact OD2-CE1 3.31Å; D11-H1862 IonicContact OD2-CG 2.77Å; D11-H1862 IonicContact OD2-ND1 3.31Å; D11-H1862 PolarHBondContact OD2-ND1 2.88Å
12	H	33.2	Very low	30.8	Very low	186 Å²	186	138.7 Å²	138.7	86%	0.861	70%	0.702	S	S	*	*			trans	-158.5	100.2	140	-83.3	-54.6	0	0	0	106.5
13	N	30.9	Very low	30.7	Very low	90 Å²	90	139.1 Å²	139.1	48%	0.481	71%	0.705	S	S	.	*				47.5	100.6	60.7	-56.9	-47.5	0	0	0	112.4	D11	D11-N13 PolarHBondContact OD1-ND2 3.31Å
14	L	27.2	Very low	30.9	Very low	167 Å²	167	139.9 Å²	139.9	87%	0.874	70%	0.704	S	S	*	*				-161.4	161.5	100.8	-92.2	157.4	0	0	0	109.7
15	P	47.1	Very low	30.7	Very low	109 Å²	109	137.6 Å²	137.6	71%	0.708	71%	0.71	S	S	*	*			trans	-99.2	-155.6	-170.3	41.3	-37.8	0	0	0	112.8
16	E	26.9	Very low	30.6	Very low	193 Å²	193	134 Å²	134	90%	0.902	71%	0.706	S	S	*	*			trans	83.7	131.6	176.9	-50	-145.6	127.2	0	0	116.8
17	R	42.1	Very low	30.4	Very low	231 Å²	231	133 Å²	133	87%	0.872	70%	0.703	S	S	*	*			trans	-97.9	161.6	175	-58.2	171.1	176.9	162.9	-1.4	108
18	P	30.7	Very low	30.2	Very low	119 Å²	119	133.6 Å²	133.6	77%	0.773	70%	0.704	S	S	*	*				-145.2	130.2	104.1	31	-13.9	0	0	0	116.3
19	N	26.5	Very low	29.8	Very low	141 Å²	141	133.2 Å²	133.2	75%	0.754	71%	0.709	S	S	*	*			trans	44.2	139.6	131.7	-64.1	-19.9	0	0	0	124.1
20	Q	25.2	Very low	29.6	Very low	177 Å²	177	134 Å²	134	83%	0.827	70%	0.702	S	S	*	*			trans	60.3	84.6	154.6	-65.6	-169.6	4	0	0	119.2
21	R	39.6	Very low	29.7	Very low	229 Å²	229	133.4 Å²	133.4	86%	0.864	70%	0.704	S	S	*	*				29.5	127.9	105.1	-157.5	-171.5	-146.2	-175.2	7.3	117.2
22	F	28.5	Very low	30	Very low	149 Å²	149	137.6 Å²	137.6	65%	0.654	74%	0.736	S	S	*	*			trans	67.1	155.9	-164.3	-65.3	-89.8	0	0	0	111.3	E24	F22-E24 HydrophobicContact CD1-CG 4.12Å
23	S	29.3	Very low	30.2	Very low	102 Å²	102	133.8 Å²	133.8	71%	0.713	73%	0.726	S	S	*	*			cis	-121.6	154.2	6.6	-56.4	0	0	0	0	109.7
24	E	30.6	Very low	30.3	Very low	147 Å²	147	134.9 Å²	134.9	69%	0.687	74%	0.738	S	S	*	*				54.6	50.6	53.6	-66	-172.1	171	0	0	113.4	F22	F22-E24 HydrophobicContact CD1-CG 4.12Å
25	A	25.7	Very low	30.4	Very low	94 Å²	94	131.5 Å²	131.5	78%	0.777	73%	0.728	S	S	*	*				-115.1	118.4	110.2	0	0	0	0	0	105.7
26	S	23.8	Very low	29.5	Very low	90 Å²	90	134.5 Å²	134.5	63%	0.629	73%	0.73	S	S	*	*			cis	59.5	145	36.4	-43.3	0	0	0	0	111.7
27	A	22.8	Very low	29.4	Very low	76 Å²	76	128.2 Å²	128.2	63%	0.628	71%	0.706	S	S	*	*			trans	52.1	94.1	176.1	0	0	0	0	0	113.7
28	T	25.2	Very low	29.1	Very low	124 Å²	124	121 Å²	121	76%	0.761	69%	0.687	S	S	*	*	S	Bend	cis	-170.3	163	48.6	43.7	0	0	0	0	111.8
29	L	27.7	Very low	29.8	Very low	140 Å²	140	117.6 Å²	117.6	73%	0.733	67%	0.669	S	S	*	*			cis	-110.2	132.8	-39.4	-100.7	130.2	0	0	0	104.1
30	H	27.9	Very low	30.9	Very low	136 Å²	136	114.6 Å²	114.6	63%	0.63	66%	0.659	S	S	*	*				44.7	113	103	-73.9	-93.5	0	0	0	111.5
31	S	26.7	Very low	31.2	Very low	71 Å²	71	110.5 Å²	110.5	50%	0.497	65%	0.649	S	S	.	*				47.9	89.8	77.4	92.1	0	0	0	0	112.2
32	S	33.2	Very low	31	Very low	119 Å²	119	104.5 Å²	104.5	83%	0.832	64%	0.64	S	S	*	*				-132.5	108	126.5	-61.8	0	0	0	0	104
33	T	37	Very low	31.2	Very low	105 Å²	105	104.7 Å²	104.7	64%	0.644	65%	0.647	S	S	*	*			cis	48.5	124.3	36.5	83.3	0	0	0	0	110.5
34	P	32.5	Very low	31.1	Very low	113 Å²	113	101.2 Å²	101.2	73%	0.734	63%	0.627	S	S	*	*				-132.7	178.7	67.6	36.4	-21.5	0	0	0	114.5
35	S	28.9	Very low	31	Very low	96 Å²	96	99.4 Å²	99.4	67%	0.671	61%	0.614	S	S	*	*			trans	38.6	101.3	148.6	57	0	0	0	0	119.3
36	K	27.8	Very low	31.4	Very low	172 Å²	172	99 Å²	99	75%	0.748	60%	0.604	S	S	*	*				48.1	142.1	104.3	-75.2	-159.4	179.4	-172.6	0	118.6	V38	K36-V38 HydrophobicContact CD-CG2 3.86Å; K36-V38 HydrophobicContact CG-CG2 3.69Å
37	P	25.6	Very low	31.5	Very low	62 Å²	62	100 Å²	100	40%	0.403	60%	0.601	S	S	.	*	S	Bend	cis	-110.4	124.1	41.6	35.1	-30.9	0	0	0	113.4	P1829 N1830 S1831	P37-P1829 CarbonylContact O-C 3.2Å; P37-P1829 WeakPolarHBondContact O-CA 3.43Å; P37-P1829 WeakPolarHBondContact O-CB 3.42Å; P37-P1829 WeakPolarHBondContact O-CG 3.44Å; P37-N1830 CarbonylContact C-O 3.47Å; P37-N1830 CarbonylContact O-C 3.52Å; P37-N1830 PolarHBondContact O-N 2.79Å; P37-S1831 WeakPolarHBondContact CB-OG 3.23Å
38	V	36.6	Very low	31.5	Very low	79 Å²	79	103.3 Å²	103.3	48%	0.479	60%	0.603	S	S	.	*			trans	-57.7	134.6	-155.2	-170.2	0	0	0	0	121.7	K36 N1830	K36-V38 HydrophobicContact CD-CG2 3.86Å; K36-V38 HydrophobicContact CG-CG2 3.69Å; V38-N1830 PolarHBondContact N-O 3.18Å; V38-N1830 PolarHBondContact O-N 3.41Å; V38-N1830 PolarHBondContact O-ND2 2.74Å; V38-N1830 VanDerWaalsContact O-O 3.05Å
39	A	45.3	Very low	31.5	Very low	47 Å²	47	103.5 Å²	103.5	39%	0.388	60%	0.599	S	S	.	*			trans	59.7	148.7	162.7	0	0	0	0	0	120.2	P1829 N1830	A39-P1829 VanDerWaalsContact N-CA 3.27Å; A39-P1829 CarbonylContact O-C 3.59Å; A39-P1829 WeakPolarHBondContact O-CA 3.48Å; A39-N1830 WeakPolarHBondContact O-CB 3.32Å; A39-N1830 PolarHBondContact O-N 2.97Å
40	S	49.1	Very low	31.4	Very low	78 Å²	78	103.2 Å²	103.2	55%	0.545	60%	0.598	S	S	.	*			cis	-161.3	-176.2	-9	50.9	0	0	0	0	111	C1828	S40-C1828 VanDerWaalsContact C-CB 3.49Å; S40-C1828 WeakPolarHBondContact O-CB 3.38Å; S40-C1828 PolarHBondContact O-SG 3.01Å
41	C	31.8	Very low	31.3	Very low	92 Å²	92	101.9 Å²	101.9	62%	0.622	60%	0.604	S	S	*	*			trans	69.7	-169.9	-160.6	-56.8	0	0	0	0	110.9	N1827 C1828	C41-N1827 CarbonylContact O-C 3.47Å; C41-N1827 VanDerWaalsContact O-CA 3.27Å; C41-N1827 WeakPolarHBondContact O-CA 3.49Å; C41-C1828 VanDerWaalsContact O-CB 3.31Å; C41-C1828 WeakPolarHBondContact O-CB 3.42Å; C41-C1828 PolarHBondContact O-N 2.82Å
42	P	34.2	Very low	31.2	Very low	103 Å²	103	104.7 Å²	104.7	67%	0.669	61%	0.612	S	S	*	*			cis	-136.8	-19.4	-6.2	41.6	-23.4	0	0	0	118.2	C1828	P42-C1828 WeakPolarHBondContact CD-SG 3.42Å
43	L	33.9	Very low	30.8	Very low	153 Å²	153	108.2 Å²	108.2	80%	0.801	61%	0.608	S	S	*	*			trans	-134.8	143.9	-165.4	-132.6	-175.5	0	0	0	112.4
44	G	26.8	Very low	30.2	Very low	29 Å²	29	114 Å²	114	30%	0.299	62%	0.617	S	S	.	*			trans	142	106.1	154.5	0	0	0	0	0	117.2	S1825	G44-S1825 WeakPolarHBondContact O-CB 3.25Å; G44-S1825 PolarHBondContact O-OG 2.82Å
45	R	29.6	Very low	29.8	Very low	109 Å²	109	111.6 Å²	111.6	41%	0.411	61%	0.614	S	S	.	*			trans	65	152.4	161.5	-125.7	-133.2	169.1	169.8	0.7	117	S1822 M1824	R45-S1822 PolarHBondContact NE-OG 2.92Å; R45-S1822 PolarHBondContact NH2-O 3.08Å; R45-S1822 PolarHBondContact NH2-OG 3.37Å; R45-M1824 VanDerWaalsContact CG-N 3.26Å
46	P	34	Very low	29.6	Very low	85 Å²	85	111.2 Å²	111.2	55%	0.552	61%	0.611	S	S	*	*				-151.1	-162.4	-64.6	46	-29.7	0	0	0	115.2
47	I	24.2	Very low	29.4	Very low	111 Å²	111	104.8 Å²	104.8	57%	0.569	59%	0.587	S	S	*	*			trans	86.6	129.9	141.6	-80.8	169.1	0	0	0	117.9
48	H	24.5	Very low	29.4	Very low	146 Å²	146	107 Å²	107	68%	0.676	60%	0.595	S	S	*	*			trans	67.6	134.5	166.4	-70.8	-26.4	0	0	0	115.7
49	N	24.2	Very low	28.8	Very low	128 Å²	128	107.3 Å²	107.3	68%	0.684	59%	0.591	S	S	*	*				63.7	139.8	57.8	-53.1	4.2	0	0	0	110.5
50	L	25.5	Very low	27.9	Very low	134 Å²	134	110 Å²	110	70%	0.702	60%	0.603	S	S	*	*			cis	-115	164.5	4.6	-75.8	85.9	0	0	0	109.2	L52	L50-L52 HydrophobicContact CD2-CD1 3.88Å
51	S	25	Very low	26.8	Very low	107 Å²	107	110 Å²	110	75%	0.748	60%	0.602	S	S	*	*			cis	61	151.3	45.4	-73.1	0	0	0	0	114.6
52	L	26.6	Very low	26.6	Very low	130 Å²	130	113 Å²	113	68%	0.681	61%	0.607	S	S	*	*			trans	69.1	123.1	173.6	-55.5	164.4	0	0	0	114.4	L50	L50-L52 HydrophobicContact CD2-CD1 3.88Å
53	R	24.7	Very low	26.4	Very low	194 Å²	194	114.1 Å²	114.1	73%	0.732	61%	0.607	S	S	*	*				76.8	130	51.3	-74.2	-168.8	-176.5	171.7	-2.1	114.1
54	R	23.5	Very low	26.1	Very low	225 Å²	225	114.2 Å²	114.2	85%	0.849	61%	0.608	S	S	*	*			trans	54.5	131.3	137.8	-61.3	178.6	178.5	-174.2	-3.4	119.9
55	G	24.8	Very low	26.1	Very low	64 Å²	64	122.3 Å²	122.3	66%	0.66	64%	0.635	S	S	*	*			trans	99.6	169.5	172	0	0	0	0	0	113.3
56	S	24.6	Very low	25.8	Very low	87 Å²	87	122 Å²	122	61%	0.608	65%	0.65	S	S	*	*			cis	177.6	147.7	-14	-86.6	0	0	0	0	107.6	C1724	S56-C1724 PolarHBondContact OG-SG 3.15Å
57	S	23.8	Very low	25.8	Very low	37 Å²	37	123.9 Å²	123.9	26%	0.259	66%	0.662	S	S	.	*			cis	-167.5	170.1	-8.8	-153	0	0	0	0	109.3	C1724 D1725 Q1726	S57-C1724 PolarHBondContact OG-SG 2.16Å; S57-D1725 VanDerWaalsContact OG-CB 3.3Å; S57-D1725 WeakPolarHBondContact OG-CB 3.43Å; S57-D1725 PolarHBondContact OG-OD2 3.42Å; S57-Q1726 VanDerWaalsContact C-NE2 3.33Å; S57-Q1726 PolarHBondContact O-NE2 2.86Å
58	I	24.1	Very low	26	Very low	110 Å²	110	123 Å²	123	56%	0.564	67%	0.666	S	S	*	*			trans	77.8	138.4	158.7	-83	169.8	0	0	0	117.3	D1725 Q1726	I58-D1725 VanDerWaalsContact CA-OD2 3.23Å; I58-D1725 WeakPolarHBondContact CA-OD2 3.36Å; I58-D1725 WeakPolarHBondContact CG1-OD2 3.25Å; I58-D1725 PolarHBondContact N-OD2 2.86Å; I58-Q1726 PolarHBondContact O-NE2 3.41Å
59	H	25.6	Very low	26.7	Very low	84 Å²	84	124.2 Å²	124.2	39%	0.389	67%	0.671	S	S	.	*			cis	-175.9	148	-28.5	-129.5	55.4	0	0	0	108.6	K1723 D1725	H59-K1723 PolarHBondContact CE1-NZ 2.18Å; H59-K1723 WeakPolarHBondContact NE2-CE 3.46Å; H59-K1723 PolarHBondContact NE2-NZ 2.18Å; H59-D1725 IonicContact CE1-OD1 3.31Å; H59-D1725 PolarHBondContact CE1-OD1 3.07Å; H59-D1725 VanDerWaalsContact CE1-OD1 3.31Å; H59-D1725 IonicContact CE1-OD2 3.31Å; H59-D1725 PolarHBondContact CE1-OD2 2.76Å; H59-D1725 VanDerWaalsContact CE1-OD2 3.31Å; H59-D1725 IonicContact CG-OD2 3.96Å; H59-D1725 IonicContact ND1-OD1 3.56Å; H59-D1725 IonicContact ND1-OD2 2.79Å; H59-D1725 PolarHBondContact ND1-OD2 2.81Å
60	T	26.1	Very low	27.5	Very low	105 Å²	105	127.6 Å²	127.6	64%	0.644	68%	0.675	S	S	*	*			trans	58.2	146.5	154.2	51	0	0	0	0	120.2
61	S	25	Very low	28.5	Very low	76 Å²	76	122.4 Å²	122.4	53%	0.531	65%	0.645	S	S	.	*			cis	-178.3	159.5	-6	51.2	0	0	0	0	112.5
62	H	28.7	Very low	30	Very low	156 Å²	156	119.7 Å²	119.7	72%	0.722	63%	0.63	S	S	*	*			trans	85.4	117.6	153.9	-81.6	-74.4	0	0	0	123.2
63	D	30.1	Very low	31	Very low	126 Å²	126	117 Å²	117	67%	0.674	63%	0.626	S	S	*	*				88.9	123.8	128.9	-63	-8.2	0	0	0	126.2
64	L	26.6	Very low	32.1	Very low	155 Å²	155	110.6 Å²	110.6	81%	0.812	61%	0.611	S	S	*	*			trans	69.6	97.9	141.7	-68.2	167.8	0	0	0	122.5
65	K	26.6	Very low	33.8	Very low	199 Å²	199	102.1 Å²	102.1	87%	0.865	58%	0.583	S	S	*	*				168.1	157.8	109.6	-93.7	179.7	179.7	-178.7	0	116.4
66	S	24.4	Very low	35.5	Very low	104 Å²	104	102.2 Å²	102.2	73%	0.727	56%	0.563	S	S	*	*			trans	-29.5	142	172.2	52.4	0	0	0	0	120.6
67	P	33.4	Very low	37.2	Very low	123 Å²	123	103.3 Å²	103.3	80%	0.799	56%	0.561	S	S	*	*			trans	-94	145.7	167.5	36.7	-32.1	0	0	0	113.7
68	S	29.3	Very low	38.9	Very low	94 Å²	94	105.8 Å²	105.8	66%	0.657	57%	0.565	S	S	*	*			trans	-106.9	137.8	172.9	56.4	0	0	0	0	112.2
69	H	38.8	Very low	40.7	Very low	171 Å²	171	100.6 Å²	100.6	79%	0.792	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-81.1	139.8	178.6	-90	-116.5	0	0	0	112.6
70	R	41	Very low	42.6	Very low	199 Å²	199	98.4 Å²	98.4	75%	0.751	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-99.7	137.6	170.8	-84.7	-177	168.7	175.3	-0.6	111.2
71	W	47	Very low	44.1	Very low	24 Å²	24	99.2 Å²	99.2	9%	0.091	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-55.7	133.3	177.2	-60.4	67.3	0	0	0	113.2	D75 R76 L79 C107 L109 L112 L132	W71-D75 HydrophobicContact CB-CB 4.49Å; W71-D75 HydrophobicContact CE3-CB 3.7Å; W71-D75 HydrophobicContact CZ3-CB 4.4Å; W71-R76 HydrophobicContact CB-CG 4.03Å; W71-R76 PolarHBondContact O-NE 2.71Å; W71-R76 PolarHBondContact O-NH2 3.09Å; W71-L79 HydrophobicContact CE3-CB 4.47Å; W71-L79 HydrophobicContact CE3-CD2 4.42Å; W71-L79 HydrophobicContact CH2-CD1 4.08Å; W71-L79 HydrophobicContact CH2-CD2 3.99Å; W71-L79 HydrophobicContact CH2-CG 4.42Å; W71-L79 HydrophobicContact CZ2-CD2 4.39Å; W71-L79 HydrophobicContact CZ3-CB 3.9Å; W71-L79 HydrophobicContact CZ3-CD1 4.3Å; W71-L79 HydrophobicContact CZ3-CD2 4Å; W71-L79 HydrophobicContact CZ3-CG 4.29Å; W71-C107 PolarHBondContact NE1-O 2.88Å; W71-L109 HydrophobicContact CH2-CD2 4.14Å; W71-L109 HydrophobicContact CH2-CG 4.42Å; W71-L109 HydrophobicContact CZ2-CD2 3.8Å; W71-L109 HydrophobicContact CZ2-CG 3.73Å; W71-L112 HydrophobicContact CH2-CD1 4.02Å; W71-L112 HydrophobicContact CZ2-CD1 3.24Å; W71-L132 HydrophobicContact CH2-CD1 3.38Å; W71-L132 HydrophobicContact CH2-CD2 4.37Å; W71-L132 HydrophobicContact CZ2-CD1 4.44Å; W71-L132 HydrophobicContact CZ3-CD1 3.69Å; W71-L132 HydrophobicContact CZ3-CD2 3.8Å; W71-L132 HydrophobicContact CZ3-CG 4.43Å
72	A	56.1	Low	45.8	Very low	51 Å²	51	97.1 Å²	97.1	42%	0.421	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-77	167.7	173.6	0	0	0	0	0	111.7	S74 D75 R76	A72-S74 PolarHBondContact O-N 2.93Å; A72-D75 WeakPolarHBondContact CA-OD2 3.46Å; A72-D75 VanDerWaalsContact CB-OD2 3.23Å; A72-D75 WeakPolarHBondContact CB-OD2 3.42Å; A72-D75 PolarHBondContact N-OD2 2.67Å; A72-D75 PolarHBondContact O-N 3.36Å; A72-R76 VanDerWaalsContact O-CG 3.25Å; A72-R76 WeakPolarHBondContact O-CG 3.25Å; A72-R76 PolarHBondContact O-N 2.95Å
73	A	46.2	Very low	47.3	Very low	72 Å²	72	91.1 Å²	91.1	60%	0.595	48%	0.48	S	S	*	.	H	α-helix	trans	-62.1	-29.8	-175	0	0	0	0	0	113.9	L77	A73-L77 WeakPolarHBondContact O-CG 3.47Å; A73-L77 PolarHBondContact O-N 3.04Å
74	S	48.3	Very low	48.7	Very low	60 Å²	60	90.7 Å²	90.7	42%	0.42	47%	0.474	S	S	.	.	H	α-helix	trans	-60.1	-47.8	170.5	38.9	0	0	0	0	112.3	A72 L77 R78	A72-S74 PolarHBondContact O-N 2.93Å; S74-L77 PolarHBondContact O-N 2.87Å; S74-R78 WeakPolarHBondContact O-CG 3.23Å; S74-R78 PolarHBondContact O-N 3.37Å
75	D	59.1	Low	50	Low	47 Å²	47	87.7 Å²	87.7	25%	0.251	46%	0.459	S	S	.	.	H	α-helix	trans	-79.6	-36.1	-167.2	-30.9	-34.6	0	0	0	109.1	W71 A72 L77 R78 L79	W71-D75 HydrophobicContact CB-CB 4.49Å; W71-D75 HydrophobicContact CE3-CB 3.7Å; W71-D75 HydrophobicContact CZ3-CB 4.4Å; A72-D75 WeakPolarHBondContact CA-OD2 3.46Å; A72-D75 VanDerWaalsContact CB-OD2 3.23Å; A72-D75 WeakPolarHBondContact CB-OD2 3.42Å; A72-D75 PolarHBondContact N-OD2 2.67Å; A72-D75 PolarHBondContact O-N 3.36Å; D75-L77 VanDerWaalsContact C-N 3.35Å; D75-L77 PolarHBondContact O-N 3.49Å; D75-R78 PolarHBondContact O-N 3.11Å; D75-R78 VanDerWaalsContact O-N 3.14Å; D75-L79 WeakPolarHBondContact O-CB 3.3Å; D75-L79 PolarHBondContact O-N 2.9Å
76	R	61.6	Low	51.4	Low	66 Å²	66	81.1 Å²	81.1	25%	0.249	43%	0.432	C	S	.	.	H	α-helix	trans	-52.4	-50	166.1	-69.4	173.4	-174.4	-93	-24.3	111.7	W71 A72 R78 L79 I80 L105	W71-R76 HydrophobicContact CB-CG 4.03Å; W71-R76 PolarHBondContact O-NE 2.71Å; W71-R76 PolarHBondContact O-NH2 3.09Å; A72-R76 VanDerWaalsContact O-CG 3.25Å; A72-R76 WeakPolarHBondContact O-CG 3.25Å; A72-R76 PolarHBondContact O-N 2.95Å; R76-R78 VanDerWaalsContact C-N 3.31Å; R76-R78 PolarHBondContact O-N 2.77Å; R76-L79 PolarHBondContact O-N 3.33Å; R76-I80 WeakPolarHBondContact O-CD1 3.17Å; R76-I80 WeakPolarHBondContact O-CG1 3.44Å; R76-I80 PolarHBondContact O-N 3.11Å; R76-L105 HydrophobicContact CB-CD2 3.76Å; R76-L105 HydrophobicContact CG-CB 4.38Å; R76-L105 HydrophobicContact CG-CD2 3.9Å; R76-L105 PolarHBondContact NH1-O 3.14Å; R76-L105 PolarHBondContact NH2-O 3.44Å
77	L	60	Low	52.6	Low	110 Å²	110	78.6 Å²	78.6	58%	0.576	41%	0.409	S	S	*	.	H	α-helix	trans	-66.9	-30.5	177.6	-75.4	168.4	0	0	0	113	A73 S74 D75 I80 H81	A73-L77 WeakPolarHBondContact O-CG 3.47Å; A73-L77 PolarHBondContact O-N 3.04Å; S74-L77 PolarHBondContact O-N 2.87Å; D75-L77 VanDerWaalsContact C-N 3.35Å; D75-L77 PolarHBondContact O-N 3.49Å; L77-I80 HydrophobicContact CD2-CD1 4.39Å; L77-H81 PolarHBondContact O-N 3.18Å
78	R	58.1	Low	53.3	Low	90 Å²	90	74 Å²	74	34%	0.34	38%	0.377	S	S	.	.	H	α-helix	trans	-74	-41.2	175.2	-72.7	170.6	176.7	-167.5	-4.6	112.7	S74 D75 R76 I80 H81 F82 Y135	S74-R78 WeakPolarHBondContact O-CG 3.23Å; S74-R78 PolarHBondContact O-N 3.37Å; D75-R78 PolarHBondContact O-N 3.11Å; D75-R78 VanDerWaalsContact O-N 3.14Å; R76-R78 VanDerWaalsContact C-N 3.31Å; R76-R78 PolarHBondContact O-N 2.77Å; R78-I80 VanDerWaalsContact C-N 3.33Å; R78-I80 PolarHBondContact O-N 3.19Å; R78-H81 PolarHBondContact O-N 3.43Å; R78-H81 VanDerWaalsContact O-N 3.15Å; R78-F82 WeakPolarHBondContact O-CB 3.19Å; R78-F82 PolarHBondContact O-N 2.72Å; R78-Y135 VanDerWaalsContact NH1-CD1 3.3Å; R78-Y135 VanDerWaalsContact NH2-CZ 3.32Å
79	L	63.5	Low	54	Low	1 Å²	1	73.1 Å²	73.1	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-60.6	-44.6	173	-173.6	63.3	0	0	0	110.6	W71 D75 R76 H81 F82 L83 L105 L112 L128	W71-L79 HydrophobicContact CE3-CB 4.47Å; W71-L79 HydrophobicContact CE3-CD2 4.42Å; W71-L79 HydrophobicContact CH2-CD1 4.08Å; W71-L79 HydrophobicContact CH2-CD2 3.99Å; W71-L79 HydrophobicContact CH2-CG 4.42Å; W71-L79 HydrophobicContact CZ2-CD2 4.39Å; W71-L79 HydrophobicContact CZ3-CB 3.9Å; W71-L79 HydrophobicContact CZ3-CD1 4.3Å; W71-L79 HydrophobicContact CZ3-CD2 4Å; W71-L79 HydrophobicContact CZ3-CG 4.29Å; D75-L79 WeakPolarHBondContact O-CB 3.3Å; D75-L79 PolarHBondContact O-N 2.9Å; R76-L79 PolarHBondContact O-N 3.33Å; L79-H81 VanDerWaalsContact C-N 3.34Å; L79-H81 PolarHBondContact O-N 2.97Å; L79-F82 PolarHBondContact O-N 3.03Å; L79-L83 HydrophobicContact CD1-CD1 4.24Å; L79-L83 HydrophobicContact CD1-CG 4.37Å; L79-L83 HydrophobicContact CG-CD1 4Å; L79-L83 WeakPolarHBondContact O-CB 3.31Å; L79-L83 VanDerWaalsContact O-CG 3.24Å; L79-L83 WeakPolarHBondContact O-CG 3.08Å; L79-L83 PolarHBondContact O-N 2.8Å; L79-L105 HydrophobicContact CD2-CD2 4.23Å; L79-L112 HydrophobicContact CD2-CD1 3.92Å; L79-L128 HydrophobicContact CD1-CD1 3.99Å
80	I	64.5	Low	54.1	Low	38 Å²	38	71.2 Å²	71.2	20%	0.195	35%	0.351	C	S	.	.	H	α-helix	trans	-55.7	-47.7	171.7	-68.1	161.6	0	0	0	111	R76 L77 R78 Q84 Y101 L105	R76-I80 WeakPolarHBondContact O-CD1 3.17Å; R76-I80 WeakPolarHBondContact O-CG1 3.44Å; R76-I80 PolarHBondContact O-N 3.11Å; L77-I80 HydrophobicContact CD2-CD1 4.39Å; R78-I80 VanDerWaalsContact C-N 3.33Å; R78-I80 PolarHBondContact O-N 3.19Å; I80-Q84 VanDerWaalsContact O-CG 3.25Å; I80-Q84 WeakPolarHBondContact O-CG 3.47Å; I80-Q84 PolarHBondContact O-N 2.76Å; I80-Q84 VanDerWaalsContact O-N 3.12Å; I80-Y101 HydrophobicContact CB-CE1 4.18Å; I80-Y101 HydrophobicContact CG1-CD1 3.98Å; I80-Y101 HydrophobicContact CG1-CE1 3.59Å; I80-Y101 HydrophobicContact CG2-CE1 4.34Å; I80-L105 HydrophobicContact CD1-CD1 4.11Å; I80-L105 HydrophobicContact CG1-CD2 4.42Å
81	H	57.1	Low	54.3	Low	122 Å²	122	61.9 Å²	61.9	57%	0.565	32%	0.317	S	S	*	.	H	α-helix	trans	-65.6	-45.5	178.7	-103.3	-77.4	0	0	0	112.8	L77 R78 L79 L83 Q84 D85	L77-H81 PolarHBondContact O-N 3.18Å; R78-H81 PolarHBondContact O-N 3.43Å; R78-H81 VanDerWaalsContact O-N 3.15Å; L79-H81 VanDerWaalsContact C-N 3.34Å; L79-H81 PolarHBondContact O-N 2.97Å; H81-L83 PolarHBondContact O-N 3.43Å; H81-Q84 PolarHBondContact O-N 2.59Å; H81-D85 VanDerWaalsContact O-CB 3.3Å; H81-D85 WeakPolarHBondContact O-CB 3.2Å; H81-D85 PolarHBondContact O-N 3.44Å
82	F	62.1	Low	54.2	Low	32 Å²	32	65.9 Å²	65.9	14%	0.14	34%	0.34	C	S	.	.	H	α-helix	trans	-58.7	-47	178.8	-178.3	-83.7	0	0	0	111.7	R78 L79 Q84 D85 I86 L128 D131	R78-F82 WeakPolarHBondContact O-CB 3.19Å; R78-F82 PolarHBondContact O-N 2.72Å; L79-F82 PolarHBondContact O-N 3.03Å; F82-Q84 VanDerWaalsContact C-N 3.35Å; F82-Q84 PolarHBondContact O-N 3.25Å; F82-D85 PolarHBondContact O-N 3.37Å; F82-D85 VanDerWaalsContact O-N 3.1Å; F82-I86 HydrophobicContact CD1-CD1 3.93Å; F82-I86 HydrophobicContact CD2-CD1 4.16Å; F82-I86 HydrophobicContact CE1-CD1 3.41Å; F82-I86 VanDerWaalsContact CE1-CD1 3.41Å; F82-I86 HydrophobicContact CE1-CG1 4.47Å; F82-I86 HydrophobicContact CE2-CD1 3.68Å; F82-I86 HydrophobicContact CG-CD1 4.28Å; F82-I86 HydrophobicContact CZ-CD1 3.28Å; F82-I86 PolarHBondContact O-N 2.76Å; F82-I86 VanDerWaalsContact O-N 3.09Å; F82-L128 HydrophobicContact CD1-CD1 3.72Å; F82-L128 HydrophobicContact CD2-CD1 4.18Å; F82-L128 HydrophobicContact CE1-CB 3.98Å; F82-L128 HydrophobicContact CE1-CD1 3.6Å; F82-L128 HydrophobicContact CE1-CG 4.24Å; F82-L128 HydrophobicContact CE2-CB 4.3Å; F82-L128 HydrophobicContact CE2-CD1 4.07Å; F82-L128 HydrophobicContact CG-CD1 4.01Å; F82-L128 HydrophobicContact CZ-CB 3.62Å; F82-L128 HydrophobicContact CZ-CD1 3.78Å; F82-L128 HydrophobicContact CZ-CG 4.27Å; F82-D131 HydrophobicContact CE2-CB 4.45Å
83	L	59.7	Low	53.8	Low	29 Å²	29	66.3 Å²	66.3	15%	0.152	34%	0.335	C	S	.	.	H	α-helix	trans	-64.1	-37.3	177.6	-68.8	171.8	0	0	0	112.3	L79 H81 D85 Y101 L104 F116	L79-L83 HydrophobicContact CD1-CD1 4.24Å; L79-L83 HydrophobicContact CD1-CG 4.37Å; L79-L83 HydrophobicContact CG-CD1 4Å; L79-L83 WeakPolarHBondContact O-CB 3.31Å; L79-L83 VanDerWaalsContact O-CG 3.24Å; L79-L83 WeakPolarHBondContact O-CG 3.08Å; L79-L83 PolarHBondContact O-N 2.8Å; H81-L83 PolarHBondContact O-N 3.43Å; L83-D85 VanDerWaalsContact C-N 3.34Å; L83-Y101 HydrophobicContact CD1-CE1 4.23Å; L83-L104 HydrophobicContact CD1-CD1 4.4Å; L83-F116 HydrophobicContact CD2-CE1 4.32Å; L83-F116 HydrophobicContact CD2-CZ 3.83Å
84	Q	60	Low	53.9	Low	118 Å²	118	67.1 Å²	67.1	55%	0.551	33%	0.332	S	S	*	.	H	α-helix	trans	-66.7	-35.8	171.7	-72.5	174.1	23.7	0	0	112.4	I80 H81 F82	I80-Q84 VanDerWaalsContact O-CG 3.25Å; I80-Q84 WeakPolarHBondContact O-CG 3.47Å; I80-Q84 PolarHBondContact O-N 2.76Å; I80-Q84 VanDerWaalsContact O-N 3.12Å; H81-Q84 PolarHBondContact O-N 2.59Å; F82-Q84 VanDerWaalsContact C-N 3.35Å; F82-Q84 PolarHBondContact O-N 3.25Å
85	D	54	Low	54	Low	91 Å²	91	65 Å²	65	49%	0.487	32%	0.316	S	S	.	.	H	α-helix	trans	-80.1	-32.1	-170.5	-141	51.5	0	0	0	112.9	H81 F82 L83 K2518	H81-D85 VanDerWaalsContact O-CB 3.3Å; H81-D85 WeakPolarHBondContact O-CB 3.2Å; H81-D85 PolarHBondContact O-N 3.44Å; F82-D85 PolarHBondContact O-N 3.37Å; F82-D85 VanDerWaalsContact O-N 3.1Å; L83-D85 VanDerWaalsContact C-N 3.34Å; D85-K2518 VanDerWaalsContact C-NZ 3.29Å; D85-K2518 WeakPolarHBondContact O-CD 3.25Å; D85-K2518 WeakPolarHBondContact O-CE 3.22Å; D85-K2518 PolarHBondContact O-NZ 2.95Å; D85-K2518 WeakPolarHBondContact OD2-CE 3.44Å; D85-K2518 IonicContact OD2-NZ 2.86Å; D85-K2518 PolarHBondContact OD2-NZ 2.91Å
86	I	56.4	Low	53.6	Low	61 Å²	61	67.1 Å²	67.1	31%	0.313	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-3.8	-175.9	-57.4	-174.9	0	0	0	113.6	F82 L88	F82-I86 HydrophobicContact CD1-CD1 3.93Å; F82-I86 HydrophobicContact CD2-CD1 4.16Å; F82-I86 HydrophobicContact CE1-CD1 3.41Å; F82-I86 VanDerWaalsContact CE1-CD1 3.41Å; F82-I86 HydrophobicContact CE1-CG1 4.47Å; F82-I86 HydrophobicContact CE2-CD1 3.68Å; F82-I86 HydrophobicContact CG-CD1 4.28Å; F82-I86 HydrophobicContact CZ-CD1 3.28Å; F82-I86 PolarHBondContact O-N 2.76Å; F82-I86 VanDerWaalsContact O-N 3.09Å; I86-L88 HydrophobicContact CB-CD1 3.84Å; I86-L88 HydrophobicContact CG2-CD1 3.5Å; I86-L88 HydrophobicContact CG2-CG 4.19Å; I86-L88 PolarHBondContact O-N 2.63Å
87	Q	49	Very low	52.9	Low	51 Å²	51	69.5 Å²	69.5	24%	0.238	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	41.8	168.3	-63.4	175.2	-10.7	0	0	112.8	D89 K1931 Q2516	Q87-D89 VanDerWaalsContact C-N 3.29Å; Q87-D89 PolarHBondContact O-N 2.73Å; Q87-D89 VanDerWaalsContact O-N 3.15Å; Q87-K1931 PolarHBondContact O-NZ 3.34Å; Q87-K1931 VanDerWaalsContact O-NZ 3.16Å; Q87-Q2516 VanDerWaalsContact CD-CD 3.47Å; Q87-Q2516 HydrophobicContact CG-CG 4.31Å; Q87-Q2516 VanDerWaalsContact OE1-CB 3.31Å
88	L	47	Very low	52.6	Low	26 Å²	26	70.9 Å²	70.9	14%	0.136	36%	0.358	C	S	.	.			trans	-87.1	59.5	178.8	-79.3	142.1	0	0	0	112.8	I86 R90 A91 L120	I86-L88 HydrophobicContact CB-CD1 3.84Å; I86-L88 HydrophobicContact CG2-CD1 3.5Å; I86-L88 HydrophobicContact CG2-CG 4.19Å; I86-L88 PolarHBondContact O-N 2.63Å; L88-R90 PolarHBondContact O-N 3.31Å; L88-A91 HydrophobicContact CB-CB 4.02Å; L88-A91 HydrophobicContact CD2-CB 4.02Å; L88-A91 PolarHBondContact O-N 2.94Å; L88-L120 HydrophobicContact CD1-CD2 3.79Å; L88-L120 HydrophobicContact CD2-CD2 3.64Å; L88-L120 HydrophobicContact CG-CD2 4.36Å
89	D	44.9	Very low	52.2	Low	77 Å²	77	68.7 Å²	68.7	41%	0.412	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	48.4	152.9	-59.8	-16.6	0	0	0	110	Q87 K1931	Q87-D89 VanDerWaalsContact C-N 3.29Å; Q87-D89 PolarHBondContact O-N 2.73Å; Q87-D89 VanDerWaalsContact O-N 3.15Å; D89-K1931 HydrophobicContact CB-CD 4.25Å; D89-K1931 WeakPolarHBondContact O-CB 3.45Å; D89-K1931 WeakPolarHBondContact O-CD 3.22Å
90	R	39.9	Very low	51.7	Low	130 Å²	130	72 Å²	72	49%	0.491	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-166.6	-20.9	-179.4	-123.2	-178.4	-144	-179.5	3.6	114.7	L88 V94 K1931 S1932	L88-R90 PolarHBondContact O-N 3.31Å; R90-V94 WeakPolarHBondContact O-CG2 3.2Å; R90-K1931 HydrophobicContact CB-CD 3.95Å; R90-K1931 HydrophobicContact CG-CB 4.11Å; R90-K1931 HydrophobicContact CG-CD 3.91Å; R90-K1931 HydrophobicContact CG-CG 4.42Å; R90-S1932 PolarHBondContact NH2-OG 2.77Å
91	A	45.5	Very low	51.1	Low	4 Å²	4	74.7 Å²	74.7	3%	0.033	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-33.1	163.9	0	0	0	0	0	110.3	L88 D93 V94 L95 F116 C119	L88-A91 HydrophobicContact CB-CB 4.02Å; L88-A91 HydrophobicContact CD2-CB 4.02Å; L88-A91 PolarHBondContact O-N 2.94Å; A91-D93 PolarHBondContact O-N 2.75Å; A91-V94 PolarHBondContact O-N 2.68Å; A91-V94 VanDerWaalsContact O-N 3.1Å; A91-L95 WeakPolarHBondContact O-CG 3.07Å; A91-L95 PolarHBondContact O-N 3.4Å; A91-F116 HydrophobicContact CB-CE1 4.48Å; A91-C119 HydrophobicContact CB-CB 3.86Å
92	L	46.1	Very low	51	Low	107 Å²	107	74.7 Å²	74.7	56%	0.56	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.7	166.8	-65.5	170.8	0	0	0	113	V94 L95	L92-V94 VanDerWaalsContact C-N 3.34Å; L92-L95 HydrophobicContact CD2-CD1 4.05Å
93	D	47.9	Very low	51	Low	61 Å²	61	75.5 Å²	75.5	33%	0.326	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.1	175.3	-57	-11.1	0	0	0	112.7	A91	A91-D93 PolarHBondContact O-N 2.75Å
94	V	47.7	Very low	51	Low	88 Å²	88	74.3 Å²	74.3	53%	0.533	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-21.2	-177.1	179.5	0	0	0	0	112.1	R90 A91 L92 C119	R90-V94 WeakPolarHBondContact O-CG2 3.2Å; A91-V94 PolarHBondContact O-N 2.68Å; A91-V94 VanDerWaalsContact O-N 3.1Å; L92-V94 VanDerWaalsContact C-N 3.34Å; V94-C119 VanDerWaalsContact CB-SG 3.58Å; V94-C119 WeakPolarHBondContact CG1-SG 3.36Å
95	L	50.7	Low	51.1	Low	16 Å²	16	69.7 Å²	69.7	8%	0.084	36%	0.363	C	S	.	.	S	Bend	trans	-58.6	130.5	157.6	-78.7	160.6	0	0	0	109.5	A91 L92 C99 L104 V115	A91-L95 WeakPolarHBondContact O-CG 3.07Å; A91-L95 PolarHBondContact O-N 3.4Å; L92-L95 HydrophobicContact CD2-CD1 4.05Å; L95-C99 HydrophobicContact CD2-CB 4.34Å; L95-L104 HydrophobicContact CD1-CD1 4.05Å; L95-L104 HydrophobicContact CD1-CD2 4.43Å; L95-L104 HydrophobicContact CD2-CD2 3.93Å; L95-V115 HydrophobicContact CD2-CG1 3.46Å; L95-V115 VanDerWaalsContact CD2-CG1 3.46Å; L95-V115 HydrophobicContact CG-CG1 4.43Å
96	P	50.9	Low	51.5	Low	92 Å²	92	69.6 Å²	69.6	60%	0.597	36%	0.359	S	S	*	.			trans	-59	140.6	176.1	-23.4	33.3	0	0	0	111.4	N98 C99	P96-N98 PolarHBondContact O-N 3.25Å; P96-C99 VanDerWaalsContact O-CB 3.28Å; P96-C99 WeakPolarHBondContact O-CB 3.09Å; P96-C99 PolarHBondContact O-N 3.38Å
97	D	47	Very low	51.7	Low	116 Å²	116	67.9 Å²	67.9	62%	0.62	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-23.5	-173	-64.7	42.3	0	0	0	115.5	P1873	D97-P1873 HydrophobicContact CB-CB 4.43Å; D97-P1873 HydrophobicContact CB-CG 4.14Å; D97-P1873 WeakPolarHBondContact OD1-CB 3.41Å; D97-P1873 WeakPolarHBondContact OD1-CG 3.4Å; D97-P1873 WeakPolarHBondContact OD2-CB 3.25Å
98	N	52.1	Low	52.6	Low	139 Å²	139	66.7 Å²	66.7	74%	0.743	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-5	178.5	-67.7	-28.6	0	0	0	114.6	P96 T100	P96-N98 PolarHBondContact O-N 3.25Å; N98-T100 PolarHBondContact O-N 2.71Å
99	C	49.9	Very low	53.3	Low	43 Å²	43	68 Å²	68	29%	0.291	36%	0.355	S	S	.	.			trans	-81.9	99.3	-178.3	-167.7	0	0	0	0	110.4	L95 P96	L95-C99 HydrophobicContact CD2-CB 4.34Å; P96-C99 VanDerWaalsContact O-CB 3.28Å; P96-C99 WeakPolarHBondContact O-CB 3.09Å; P96-C99 PolarHBondContact O-N 3.38Å
100	T	54	Low	54.2	Low	72 Å²	72	71.6 Å²	71.6	44%	0.442	37%	0.37	S	S	.	.			trans	-77.8	165.1	-178.4	78.7	0	0	0	0	111.6	N98 E102 D103 L104	N98-T100 PolarHBondContact O-N 2.71Å; T100-E102 PolarHBondContact O-N 2.92Å; T100-E102 VanDerWaalsContact O-N 3.09Å; T100-E102 WeakPolarHBondContact OG1-CB 3.18Å; T100-E102 PolarHBondContact OG1-N 3.14Å; T100-E102 VanDerWaalsContact OG1-N 3.09Å; T100-D103 VanDerWaalsContact CB-OD2 3.26Å; T100-D103 WeakPolarHBondContact CB-OD2 3.16Å; T100-D103 WeakPolarHBondContact CG2-OD2 3.21Å; T100-D103 PolarHBondContact N-OD2 3.21Å; T100-D103 PolarHBondContact O-N 3.3Å; T100-D103 PolarHBondContact OG1-N 3.5Å; T100-D103 PolarHBondContact OG1-OD2 3.03Å; T100-L104 PolarHBondContact O-N 2.96Å
101	Y	51.3	Low	55.5	Low	94 Å²	94	70 Å²	70	37%	0.369	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.2	169.4	-123.3	-63.8	0	0	0	112.8	I80 L83 L105	I80-Y101 HydrophobicContact CB-CE1 4.18Å; I80-Y101 HydrophobicContact CG1-CD1 3.98Å; I80-Y101 HydrophobicContact CG1-CE1 3.59Å; I80-Y101 HydrophobicContact CG2-CE1 4.34Å; L83-Y101 HydrophobicContact CD1-CE1 4.23Å; Y101-L105 VanDerWaalsContact O-CD1 3.23Å; Y101-L105 WeakPolarHBondContact O-CD1 3.21Å; Y101-L105 WeakPolarHBondContact O-CG 3.45Å
102	E	55.2	Low	56.5	Low	122 Å²	122	69.9 Å²	69.9	57%	0.57	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-24.5	176	-143	-167	-117	0	0	112.3	T100 L105 K106	T100-E102 PolarHBondContact O-N 2.92Å; T100-E102 VanDerWaalsContact O-N 3.09Å; T100-E102 WeakPolarHBondContact OG1-CB 3.18Å; T100-E102 PolarHBondContact OG1-N 3.14Å; T100-E102 VanDerWaalsContact OG1-N 3.09Å; E102-L105 CarbonylContact O-C 3.3Å; E102-L105 PolarHBondContact O-N 2.94Å; E102-K106 WeakPolarHBondContact O-CE 3.48Å; E102-K106 WeakPolarHBondContact O-CG 3.3Å; E102-K106 PolarHBondContact O-N 2.7Å; E102-K106 WeakPolarHBondContact OE2-CE 3.27Å; E102-K106 IonicContact OE2-NZ 2.94Å; E102-K106 PolarHBondContact OE2-NZ 3.06Å
103	D	61.9	Low	57.5	Low	48 Å²	48	69.3 Å²	69.3	26%	0.257	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-36.1	-176.1	-52.6	-50.3	0	0	0	111.8	T100 L105 K106 C107	T100-D103 VanDerWaalsContact CB-OD2 3.26Å; T100-D103 WeakPolarHBondContact CB-OD2 3.16Å; T100-D103 WeakPolarHBondContact CG2-OD2 3.21Å; T100-D103 PolarHBondContact N-OD2 3.21Å; T100-D103 PolarHBondContact O-N 3.3Å; T100-D103 PolarHBondContact OG1-N 3.5Å; T100-D103 PolarHBondContact OG1-OD2 3.03Å; D103-L105 PolarHBondContact O-N 3.07Å; D103-L105 VanDerWaalsContact O-N 3.13Å; D103-K106 WeakPolarHBondContact O-CA 3.32Å; D103-K106 WeakPolarHBondContact O-CB 3.31Å; D103-K106 PolarHBondContact O-N 3.4Å; D103-K106 IonicContact OD1-NZ 3.57Å; D103-K106 PolarHBondContact OD1-NZ 3.49Å; D103-C107 PolarHBondContact O-N 2.83Å; D103-C107 VanDerWaalsContact O-N 3.14Å; D103-C107 PolarHBondContact O-SG 2.94Å; D103-C107 VanDerWaalsContact O-SG 3.36Å
104	L	60.3	Low	58.3	Low	5 Å²	5	70 Å²	70	3%	0.026	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-26.7	161.8	-76.3	168.9	0	0	0	113	L83 L95 T100 L112	L83-L104 HydrophobicContact CD1-CD1 4.4Å; L95-L104 HydrophobicContact CD1-CD1 4.05Å; L95-L104 HydrophobicContact CD1-CD2 4.43Å; L95-L104 HydrophobicContact CD2-CD2 3.93Å; T100-L104 PolarHBondContact O-N 2.96Å; L104-L112 HydrophobicContact CD2-CD2 3.65Å
105	L	61.2	Low	59.2	Low	20 Å²	20	68.1 Å²	68.1	11%	0.105	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	2.8	175.8	-56.2	170.2	0	0	0	112.9	R76 L79 I80 Y101 E102 D103	R76-L105 HydrophobicContact CB-CD2 3.76Å; R76-L105 HydrophobicContact CG-CB 4.38Å; R76-L105 HydrophobicContact CG-CD2 3.9Å; R76-L105 PolarHBondContact NH1-O 3.14Å; R76-L105 PolarHBondContact NH2-O 3.44Å; L79-L105 HydrophobicContact CD2-CD2 4.23Å; I80-L105 HydrophobicContact CD1-CD1 4.11Å; I80-L105 HydrophobicContact CG1-CD2 4.42Å; Y101-L105 VanDerWaalsContact O-CD1 3.23Å; Y101-L105 WeakPolarHBondContact O-CD1 3.21Å; Y101-L105 WeakPolarHBondContact O-CG 3.45Å; E102-L105 CarbonylContact O-C 3.3Å; E102-L105 PolarHBondContact O-N 2.94Å; D103-L105 PolarHBondContact O-N 3.07Å; D103-L105 VanDerWaalsContact O-N 3.13Å
106	K	63.7	Low	60	Low	89 Å²	89	67.5 Å²	67.5	39%	0.387	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-28.4	172.4	-68.2	161.1	-156.2	161.4	0	111.4	E102 D103	E102-K106 WeakPolarHBondContact O-CE 3.48Å; E102-K106 WeakPolarHBondContact O-CG 3.3Å; E102-K106 PolarHBondContact O-N 2.7Å; E102-K106 WeakPolarHBondContact OE2-CE 3.27Å; E102-K106 IonicContact OE2-NZ 2.94Å; E102-K106 PolarHBondContact OE2-NZ 3.06Å; D103-K106 WeakPolarHBondContact O-CA 3.32Å; D103-K106 WeakPolarHBondContact O-CB 3.31Å; D103-K106 PolarHBondContact O-N 3.4Å; D103-K106 IonicContact OD1-NZ 3.57Å; D103-K106 PolarHBondContact OD1-NZ 3.49Å
107	C	60.3	Low	60.6	Low	26 Å²	26	67 Å²	67	18%	0.176	35%	0.347	C	S	.	.	S	Bend	trans	-58.6	144.5	173.9	-62.8	0	0	0	0	113.7	W71 D103 E111 L112	W71-C107 PolarHBondContact NE1-O 2.88Å; D103-C107 PolarHBondContact O-N 2.83Å; D103-C107 VanDerWaalsContact O-N 3.14Å; D103-C107 PolarHBondContact O-SG 2.94Å; D103-C107 VanDerWaalsContact O-SG 3.36Å; C107-E111 HydrophobicContact CB-CB 3.99Å; C107-L112 HydrophobicContact CB-CD1 4.13Å; C107-L112 HydrophobicContact CB-CD2 4.44Å; C107-L112 HydrophobicContact CB-CG 3.79Å
108	T	67.3	Low	61.1	Low	25 Å²	25	65.1 Å²	65.1	15%	0.153	36%	0.355	C	S	.	.			trans	-74.4	169.9	167.3	60.2	0	0	0	0	111.8	E110 E111 L112	T108-E110 VanDerWaalsContact C-N 3.28Å; T108-E110 PolarHBondContact O-N 3.17Å; T108-E111 VanDerWaalsContact CB-OE2 3.31Å; T108-E111 WeakPolarHBondContact CB-OE2 3.45Å; T108-E111 VanDerWaalsContact CG2-OE2 3.32Å; T108-E111 WeakPolarHBondContact CG2-OE2 3.46Å; T108-E111 PolarHBondContact N-OE2 2.89Å; T108-E111 PolarHBondContact O-N 2.78Å; T108-E111 WeakPolarHBondContact OG1-CB 3.35Å; T108-E111 VanDerWaalsContact OG1-CD 3.31Å; T108-E111 VanDerWaalsContact OG1-CG 3.3Å; T108-E111 WeakPolarHBondContact OG1-CG 3.21Å; T108-E111 PolarHBondContact OG1-N 3.37Å; T108-E111 PolarHBondContact OG1-OE2 3.2Å; T108-L112 PolarHBondContact O-N 3.35Å
109	L	61.6	Low	61.2	Low	53 Å²	53	59.8 Å²	59.8	28%	0.277	33%	0.328	S	S	.	.	H	α-helix	trans	-62.9	-31.9	177.3	-102.6	165.4	0	0	0	113	W71 R113 Y129 L132	W71-L109 HydrophobicContact CH2-CD2 4.14Å; W71-L109 HydrophobicContact CH2-CG 4.42Å; W71-L109 HydrophobicContact CZ2-CD2 3.8Å; W71-L109 HydrophobicContact CZ2-CG 3.73Å; L109-R113 PolarHBondContact O-N 3.49Å; L109-Y129 HydrophobicContact CD2-CD1 4.44Å; L109-Y129 HydrophobicContact CD2-CD2 4.1Å; L109-Y129 HydrophobicContact CD2-CE1 4.14Å; L109-Y129 HydrophobicContact CD2-CE2 3.76Å; L109-Y129 HydrophobicContact CD2-CG 4.43Å; L109-Y129 PolarHBondContact O-OH 2.85Å; L109-L132 HydrophobicContact CD2-CD1 4.16Å
110	E	64.5	Low	61.6	Low	154 Å²	154	58.7 Å²	58.7	72%	0.72	32%	0.319	S	S	*	.	H	α-helix	trans	-79.3	-36.9	175.9	-65.4	-175.1	120.6	0	0	112.6	T108 L112 R113 S114	T108-E110 VanDerWaalsContact C-N 3.28Å; T108-E110 PolarHBondContact O-N 3.17Å; E110-L112 VanDerWaalsContact C-N 3.34Å; E110-L112 PolarHBondContact O-N 2.98Å; E110-R113 WeakPolarHBondContact O-CA 3.29Å; E110-R113 VanDerWaalsContact O-CB 3.29Å; E110-R113 WeakPolarHBondContact O-CB 3.48Å; E110-R113 PolarHBondContact O-N 2.94Å; E110-R113 VanDerWaalsContact O-N 3.14Å; E110-S114 PolarHBondContact O-N 2.97Å
111	E	66	Low	62.2	Low	96 Å²	96	56.8 Å²	56.8	45%	0.449	31%	0.314	S	S	.	.	H	α-helix	trans	-62.7	-42.4	171.7	-73.5	163.4	135.2	0	0	110.7	C107 T108 R113 S114 V115	C107-E111 HydrophobicContact CB-CB 3.99Å; T108-E111 VanDerWaalsContact CB-OE2 3.31Å; T108-E111 WeakPolarHBondContact CB-OE2 3.45Å; T108-E111 VanDerWaalsContact CG2-OE2 3.32Å; T108-E111 WeakPolarHBondContact CG2-OE2 3.46Å; T108-E111 PolarHBondContact N-OE2 2.89Å; T108-E111 PolarHBondContact O-N 2.78Å; T108-E111 WeakPolarHBondContact OG1-CB 3.35Å; T108-E111 VanDerWaalsContact OG1-CD 3.31Å; T108-E111 VanDerWaalsContact OG1-CG 3.3Å; T108-E111 WeakPolarHBondContact OG1-CG 3.21Å; T108-E111 PolarHBondContact OG1-N 3.37Å; T108-E111 PolarHBondContact OG1-OE2 3.2Å; E111-R113 VanDerWaalsContact C-N 3.31Å; E111-R113 PolarHBondContact O-N 2.8Å; E111-S114 PolarHBondContact O-N 3.16Å; E111-S114 VanDerWaalsContact O-N 3.14Å; E111-S114 PolarHBondContact O-OG 3.39Å; E111-V115 WeakPolarHBondContact O-CB 3.39Å; E111-V115 VanDerWaalsContact O-CG2 3.31Å; E111-V115 WeakPolarHBondContact O-CG2 3.44Å; E111-V115 PolarHBondContact O-N 3.48Å
112	L	66	Low	63.1	Low	1 Å²	1	57.8 Å²	57.8	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-33	172.3	-78.8	158.8	0	0	0	112.6	W71 L79 L104 C107 T108 E110 V115 F116	W71-L112 HydrophobicContact CH2-CD1 4.02Å; W71-L112 HydrophobicContact CZ2-CD1 3.24Å; L79-L112 HydrophobicContact CD2-CD1 3.92Å; L104-L112 HydrophobicContact CD2-CD2 3.65Å; C107-L112 HydrophobicContact CB-CD1 4.13Å; C107-L112 HydrophobicContact CB-CD2 4.44Å; C107-L112 HydrophobicContact CB-CG 3.79Å; T108-L112 PolarHBondContact O-N 3.35Å; E110-L112 VanDerWaalsContact C-N 3.34Å; E110-L112 PolarHBondContact O-N 2.98Å; L112-V115 PolarHBondContact O-N 3.04Å; L112-F116 HydrophobicContact CB-CE2 4.4Å; L112-F116 HydrophobicContact CD2-CE2 3.74Å; L112-F116 HydrophobicContact CD2-CZ 4.11Å; L112-F116 WeakPolarHBondContact O-CD2 3.31Å; L112-F116 PolarHBondContact O-N 2.81Å
113	R	68.9	Low	63.3	Low	95 Å²	95	56.4 Å²	56.4	36%	0.358	33%	0.326	S	S	.	.	H	α-helix	trans	-59.6	-48.5	169.3	-162.1	-179.1	178.4	161.6	-1.9	110.7	L109 E110 E111 V115 F116 T117 E122 I125 Y129	L109-R113 PolarHBondContact O-N 3.49Å; E110-R113 WeakPolarHBondContact O-CA 3.29Å; E110-R113 VanDerWaalsContact O-CB 3.29Å; E110-R113 WeakPolarHBondContact O-CB 3.48Å; E110-R113 PolarHBondContact O-N 2.94Å; E110-R113 VanDerWaalsContact O-N 3.14Å; E111-R113 VanDerWaalsContact C-N 3.31Å; E111-R113 PolarHBondContact O-N 2.8Å; R113-V115 PolarHBondContact O-N 2.7Å; R113-F116 PolarHBondContact O-N 2.59Å; R113-T117 PolarHBondContact O-N 2.85Å; R113-T117 PolarHBondContact O-OG1 2.85Å; R113-E122 IonicContact NH2-OE1 3.98Å; R113-E122 PolarHBondContact NH2-OE1 2.95Å; R113-I125 HydrophobicContact CG-CG2 3.75Å; R113-Y129 HydrophobicContact CB-CE2 4.31Å; R113-Y129 HydrophobicContact CG-CE2 4.49Å
114	S	64.9	Low	63.3	Low	76 Å²	76	58.5 Å²	58.5	53%	0.531	33%	0.334	S	S	.	.	H	α-helix	trans	-65.6	-36.1	179.8	77.3	0	0	0	0	113.8	E110 E111 T117	E110-S114 PolarHBondContact O-N 2.97Å; E111-S114 PolarHBondContact O-N 3.16Å; E111-S114 VanDerWaalsContact O-N 3.14Å; E111-S114 PolarHBondContact O-OG 3.39Å; S114-T117 WeakPolarHBondContact CA-OG1 3.13Å; S114-T117 PolarHBondContact O-OG1 2.72Å
115	V	65	Low	63.6	Low	49 Å²	49	58.3 Å²	58.3	30%	0.297	33%	0.333	S	S	.	.	H	α-helix	trans	-71.2	-32.2	178.3	163.8	0	0	0	0	111.8	L95 E111 L112 R113 C119	L95-V115 HydrophobicContact CD2-CG1 3.46Å; L95-V115 VanDerWaalsContact CD2-CG1 3.46Å; L95-V115 HydrophobicContact CG-CG1 4.43Å; E111-V115 WeakPolarHBondContact O-CB 3.39Å; E111-V115 VanDerWaalsContact O-CG2 3.31Å; E111-V115 WeakPolarHBondContact O-CG2 3.44Å; E111-V115 PolarHBondContact O-N 3.48Å; L112-V115 PolarHBondContact O-N 3.04Å; R113-V115 PolarHBondContact O-N 2.7Å; V115-C119 PolarHBondContact O-SG 2.72Å; V115-C119 VanDerWaalsContact O-SG 3.37Å
116	F	68	Low	64	Low	2 Å²	2	60.5 Å²	60.5	1%	0.009	35%	0.345	C	S	.	.	H	α-helix	trans	-90.9	-19.2	177.4	-65.9	-47.3	0	0	0	114.6	L83 A91 L112 R113 G118 C119 L120 I125 L128	L83-F116 HydrophobicContact CD2-CE1 4.32Å; L83-F116 HydrophobicContact CD2-CZ 3.83Å; A91-F116 HydrophobicContact CB-CE1 4.48Å; L112-F116 HydrophobicContact CB-CE2 4.4Å; L112-F116 HydrophobicContact CD2-CE2 3.74Å; L112-F116 HydrophobicContact CD2-CZ 4.11Å; L112-F116 WeakPolarHBondContact O-CD2 3.31Å; L112-F116 PolarHBondContact O-N 2.81Å; R113-F116 PolarHBondContact O-N 2.59Å; F116-G118 PolarHBondContact O-N 2.99Å; F116-C119 HydrophobicContact CD1-CB 4.36Å; F116-C119 PolarHBondContact O-N 3.13Å; F116-L120 HydrophobicContact CB-CB 4.36Å; F116-L120 HydrophobicContact CB-CD1 4.06Å; F116-L120 HydrophobicContact CB-CG 4.41Å; F116-L120 HydrophobicContact CD1-CD1 4.19Å; F116-L120 HydrophobicContact CG-CD1 4.01Å; F116-L120 PolarHBondContact O-N 3.25Å; F116-I125 HydrophobicContact CB-CD1 3.96Å; F116-I125 HydrophobicContact CB-CG1 3.94Å; F116-L128 HydrophobicContact CD2-CD2 3.98Å; F116-L128 HydrophobicContact CE2-CD2 3.92Å
117	T	64.6	Low	63.8	Low	83 Å²	83	58.9 Å²	58.9	51%	0.509	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-64.1	102.1	169.2	39.5	0	0	0	0	110.7	R113 S114 I125	R113-T117 PolarHBondContact O-N 2.85Å; R113-T117 PolarHBondContact O-OG1 2.85Å; S114-T117 WeakPolarHBondContact CA-OG1 3.13Å; S114-T117 PolarHBondContact O-OG1 2.72Å; T117-I125 HydrophobicContact CG2-CD1 3.78Å
118	G	55.6	Low	63.8	Low	76 Å²	76	57.8 Å²	57.8	78%	0.784	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	123.1	-27.2	-171.6	0	0	0	0	0	113	F116	F116-G118 PolarHBondContact O-N 2.99Å
119	C	55.6	Low	63.7	Low	27 Å²	27	59 Å²	59	18%	0.182	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-36.2	175.2	-54.4	0	0	0	0	112.8	A91 V94 V115 F116	A91-C119 HydrophobicContact CB-CB 3.86Å; V94-C119 VanDerWaalsContact CB-SG 3.58Å; V94-C119 WeakPolarHBondContact CG1-SG 3.36Å; V115-C119 PolarHBondContact O-SG 2.72Å; V115-C119 VanDerWaalsContact O-SG 3.37Å; F116-C119 HydrophobicContact CD1-CB 4.36Å; F116-C119 PolarHBondContact O-N 3.13Å
120	L	57.3	Low	63.6	Low	19 Å²	19	59.9 Å²	59.9	10%	0.099	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-127.4	150.6	-173.3	-71.6	179.9	0	0	0	110	L88 F116 E124 I125	L88-L120 HydrophobicContact CD1-CD2 3.79Å; L88-L120 HydrophobicContact CD2-CD2 3.64Å; L88-L120 HydrophobicContact CG-CD2 4.36Å; F116-L120 HydrophobicContact CB-CB 4.36Å; F116-L120 HydrophobicContact CB-CD1 4.06Å; F116-L120 HydrophobicContact CB-CG 4.41Å; F116-L120 HydrophobicContact CD1-CD1 4.19Å; F116-L120 HydrophobicContact CG-CD1 4.01Å; F116-L120 PolarHBondContact O-N 3.25Å; L120-E124 HydrophobicContact CB-CB 4.15Å; L120-E124 HydrophobicContact CD2-CB 4.21Å; L120-I125 HydrophobicContact CB-CD1 4.25Å; L120-I125 HydrophobicContact CB-CG1 3.75Å; L120-I125 HydrophobicContact CD1-CG1 4.42Å
121	G	67.9	Low	63	Low	32 Å²	32	56.8 Å²	56.8	33%	0.33	34%	0.338	S	S	.	.			trans	-66.6	149.9	168	0	0	0	0	0	110.9	S123 E124 I125	G121-S123 PolarHBondContact O-N 3.39Å; G121-S123 VanDerWaalsContact O-N 3.11Å; G121-E124 PolarHBondContact N-OE2 3.24Å; G121-E124 WeakPolarHBondContact O-CA 3.31Å; G121-E124 WeakPolarHBondContact O-CB 3.05Å; G121-E124 PolarHBondContact O-N 3.34Å; G121-I125 PolarHBondContact O-N 3.09Å; G121-I125 VanDerWaalsContact O-N 3.08Å
122	E	68.5	Low	62.3	Low	116 Å²	116	53.6 Å²	53.6	54%	0.542	32%	0.324	S	S	.	.	H	α-helix	trans	-58.6	-29.2	-179.5	-170.4	169.8	-150.1	0	0	112.5	R113 I125 N126	R113-E122 IonicContact NH2-OE1 3.98Å; R113-E122 PolarHBondContact NH2-OE1 2.95Å; E122-I125 PolarHBondContact O-N 3.14Å; E122-N126 VanDerWaalsContact O-CB 3.31Å; E122-N126 WeakPolarHBondContact O-CB 3.28Å; E122-N126 PolarHBondContact O-N 3.36Å; E122-N126 PolarHBondContact O-ND2 2.94Å
123	S	59.5	Low	61.4	Low	93 Å²	93	58.4 Å²	58.4	65%	0.65	35%	0.347	S	S	*	.	H	α-helix	trans	-64.8	-34.8	170.7	49.8	0	0	0	0	114.4	G121 S127	G121-S123 PolarHBondContact O-N 3.39Å; G121-S123 VanDerWaalsContact O-N 3.11Å; S123-S127 PolarHBondContact O-N 3.25Å
124	E	61.6	Low	60	Low	92 Å²	92	56.9 Å²	56.9	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-76.2	-36.7	177.6	-61.6	175.2	123.8	0	0	110.8	L120 G121 S127 L128	L120-E124 HydrophobicContact CB-CB 4.15Å; L120-E124 HydrophobicContact CD2-CB 4.21Å; G121-E124 PolarHBondContact N-OE2 3.24Å; G121-E124 WeakPolarHBondContact O-CA 3.31Å; G121-E124 WeakPolarHBondContact O-CB 3.05Å; G121-E124 PolarHBondContact O-N 3.34Å; E124-S127 WeakPolarHBondContact O-CB 3.42Å; E124-S127 PolarHBondContact O-N 2.89Å; E124-L128 PolarHBondContact O-N 2.82Å
125	I	67.8	Low	58.5	Low	1 Å²	1	59.6 Å²	59.6	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-64.6	-42.6	172.2	-60.9	174	0	0	0	110.7	R113 F116 T117 L120 G121 E122 S127 L128 Y129	R113-I125 HydrophobicContact CG-CG2 3.75Å; F116-I125 HydrophobicContact CB-CD1 3.96Å; F116-I125 HydrophobicContact CB-CG1 3.94Å; T117-I125 HydrophobicContact CG2-CD1 3.78Å; L120-I125 HydrophobicContact CB-CD1 4.25Å; L120-I125 HydrophobicContact CB-CG1 3.75Å; L120-I125 HydrophobicContact CD1-CG1 4.42Å; G121-I125 PolarHBondContact O-N 3.09Å; G121-I125 VanDerWaalsContact O-N 3.08Å; E122-I125 PolarHBondContact O-N 3.14Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 2.81Å; I125-L128 WeakPolarHBondContact O-CB 3.32Å; I125-L128 PolarHBondContact O-N 2.89Å; I125-Y129 PolarHBondContact O-N 3.1Å
126	N	69.1	Low	57	Low	66 Å²	66	63.6 Å²	63.6	35%	0.353	37%	0.365	S	S	.	.	H	α-helix	trans	-69.8	-26.3	174.6	-67.7	-19.9	0	0	0	112.4	E122 S130	E122-N126 VanDerWaalsContact O-CB 3.31Å; E122-N126 WeakPolarHBondContact O-CB 3.28Å; E122-N126 PolarHBondContact O-N 3.36Å; E122-N126 PolarHBondContact O-ND2 2.94Å; N126-S130 WeakPolarHBondContact O-CB 3.27Å; N126-S130 PolarHBondContact O-N 2.88Å; N126-S130 PolarHBondContact O-OG 2.81Å
127	S	60.6	Low	55.1	Low	54 Å²	54	64.9 Å²	64.9	38%	0.378	38%	0.375	S	S	.	.	H	α-helix	trans	-68.8	-43.8	169.6	-162	0	0	0	0	111.5	S123 E124 I125 Y129 S130 D131	S123-S127 PolarHBondContact O-N 3.25Å; E124-S127 WeakPolarHBondContact O-CB 3.42Å; E124-S127 PolarHBondContact O-N 2.89Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 2.81Å; S127-Y129 VanDerWaalsContact C-N 3.33Å; S127-Y129 PolarHBondContact O-N 2.83Å; S127-S130 PolarHBondContact O-N 2.95Å; S127-S130 VanDerWaalsContact O-N 3.13Å; S127-D131 WeakPolarHBondContact O-CB 3.31Å; S127-D131 PolarHBondContact O-N 3.45Å
128	L	60.5	Low	53.2	Low	4 Å²	4	64.3 Å²	64.3	2%	0.021	37%	0.374	C	S	.	.	H	α-helix	trans	-55.9	-47	172.5	171.8	65.8	0	0	0	111.3	L79 F82 F116 E124 I125 S130 D131 L132	L79-L128 HydrophobicContact CD1-CD1 3.99Å; F82-L128 HydrophobicContact CD1-CD1 3.72Å; F82-L128 HydrophobicContact CD2-CD1 4.18Å; F82-L128 HydrophobicContact CE1-CB 3.98Å; F82-L128 HydrophobicContact CE1-CD1 3.6Å; F82-L128 HydrophobicContact CE1-CG 4.24Å; F82-L128 HydrophobicContact CE2-CB 4.3Å; F82-L128 HydrophobicContact CE2-CD1 4.07Å; F82-L128 HydrophobicContact CG-CD1 4.01Å; F82-L128 HydrophobicContact CZ-CB 3.62Å; F82-L128 HydrophobicContact CZ-CD1 3.78Å; F82-L128 HydrophobicContact CZ-CG 4.27Å; F116-L128 HydrophobicContact CD2-CD2 3.98Å; F116-L128 HydrophobicContact CE2-CD2 3.92Å; E124-L128 PolarHBondContact O-N 2.82Å; I125-L128 WeakPolarHBondContact O-CB 3.32Å; I125-L128 PolarHBondContact O-N 2.89Å; L128-S130 VanDerWaalsContact C-N 3.34Å; L128-S130 PolarHBondContact O-N 3.48Å; L128-D131 PolarHBondContact O-N 2.97Å; L128-L132 HydrophobicContact CD1-CD1 3.78Å; L128-L132 HydrophobicContact CD1-CG 4.38Å; L128-L132 HydrophobicContact CG-CD1 4.05Å; L128-L132 WeakPolarHBondContact O-CD1 3.26Å; L128-L132 VanDerWaalsContact O-CG 3.28Å; L128-L132 WeakPolarHBondContact O-CG 3.41Å; L128-L132 PolarHBondContact O-N 2.89Å
129	Y	63.7	Low	51.8	Low	49 Å²	49	62.7 Å²	62.7	19%	0.192	36%	0.357	C	S	.	.	H	α-helix	trans	-58.8	-43.1	174.7	-102.1	-101.9	0	0	0	112.3	L109 R113 I125 S127 L132 H133	L109-Y129 HydrophobicContact CD2-CD1 4.44Å; L109-Y129 HydrophobicContact CD2-CD2 4.1Å; L109-Y129 HydrophobicContact CD2-CE1 4.14Å; L109-Y129 HydrophobicContact CD2-CE2 3.76Å; L109-Y129 HydrophobicContact CD2-CG 4.43Å; L109-Y129 PolarHBondContact O-OH 2.85Å; R113-Y129 HydrophobicContact CB-CE2 4.31Å; R113-Y129 HydrophobicContact CG-CE2 4.49Å; I125-Y129 PolarHBondContact O-N 3.1Å; S127-Y129 VanDerWaalsContact C-N 3.33Å; S127-Y129 PolarHBondContact O-N 2.83Å; Y129-L132 PolarHBondContact O-N 3.07Å; Y129-H133 PolarHBondContact O-N 3.45Å
130	S	59.6	Low	50.5	Low	72 Å²	72	70 Å²	70	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-69.5	-42.2	-179.4	-58.4	0	0	0	0	112.8	N126 S127 L128 L132 S134	N126-S130 WeakPolarHBondContact O-CB 3.27Å; N126-S130 PolarHBondContact O-N 2.88Å; N126-S130 PolarHBondContact O-OG 2.81Å; S127-S130 PolarHBondContact O-N 2.95Å; S127-S130 VanDerWaalsContact O-N 3.13Å; L128-S130 VanDerWaalsContact C-N 3.34Å; L128-S130 PolarHBondContact O-N 3.48Å; S130-L132 PolarHBondContact O-N 3.3Å; S130-S134 WeakPolarHBondContact O-CB 3.16Å; S130-S134 PolarHBondContact O-N 3.5Å; S130-S134 PolarHBondContact O-OG 3.16Å
131	D	53	Low	48.9	Very low	89 Å²	89	74.7 Å²	74.7	48%	0.476	41%	0.411	S	S	.	.	H	α-helix	trans	-69	-18.1	178.7	-71.3	-32.7	0	0	0	112.6	F82 S127 L128	F82-D131 HydrophobicContact CE2-CB 4.45Å; S127-D131 WeakPolarHBondContact O-CB 3.31Å; S127-D131 PolarHBondContact O-N 3.45Å; L128-D131 PolarHBondContact O-N 2.97Å
132	L	50.5	Low	47	Very low	29 Å²	29	79.5 Å²	79.5	15%	0.152	44%	0.435	C	S	.	.	H	α-helix	trans	-87	-52.4	172.7	-70.8	165.2	0	0	0	112.2	W71 L109 L128 Y129 S130 S134	W71-L132 HydrophobicContact CH2-CD1 3.38Å; W71-L132 HydrophobicContact CH2-CD2 4.37Å; W71-L132 HydrophobicContact CZ2-CD1 4.44Å; W71-L132 HydrophobicContact CZ3-CD1 3.69Å; W71-L132 HydrophobicContact CZ3-CD2 3.8Å; W71-L132 HydrophobicContact CZ3-CG 4.43Å; L109-L132 HydrophobicContact CD2-CD1 4.16Å; L128-L132 HydrophobicContact CD1-CD1 3.78Å; L128-L132 HydrophobicContact CD1-CG 4.38Å; L128-L132 HydrophobicContact CG-CD1 4.05Å; L128-L132 WeakPolarHBondContact O-CD1 3.26Å; L128-L132 VanDerWaalsContact O-CG 3.28Å; L128-L132 WeakPolarHBondContact O-CG 3.41Å; L128-L132 PolarHBondContact O-N 2.89Å; Y129-L132 PolarHBondContact O-N 3.07Å; S130-L132 PolarHBondContact O-N 3.3Å; L132-S134 PolarHBondContact O-N 2.83Å
133	H	47.9	Very low	44.9	Very low	103 Å²	103	82.6 Å²	82.6	48%	0.477	45%	0.449	S	S	.	.	H	α-helix	trans	-67.4	-31.3	-179.9	-88.5	-57.5	0	0	0	113.7	Y129 Y135 E136	Y129-H133 PolarHBondContact O-N 3.45Å; H133-Y135 PolarHBondContact O-N 3.2Å; H133-E136 IonicContact CE1-OE2 3.58Å; H133-E136 IonicContact CG-OE2 3.06Å; H133-E136 IonicContact ND1-OE2 3.96Å; H133-E136 PolarHBondContact ND1-OE2 3.13Å; H133-E136 PolarHBondContact O-N 2.71Å; H133-E136 VanDerWaalsContact O-N 3.16Å
134	S	39.1	Very low	43.2	Very low	62 Å²	62	83 Å²	83	43%	0.434	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	5.1	-177.8	57.8	0	0	0	0	115.5	S130 L132	S130-S134 WeakPolarHBondContact O-CB 3.16Å; S130-S134 PolarHBondContact O-N 3.5Å; S130-S134 PolarHBondContact O-OG 3.16Å; L132-S134 PolarHBondContact O-N 2.83Å
135	Y	33.1	Very low	41.5	Very low	133 Å²	133	86.7 Å²	86.7	52%	0.522	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-13.4	174.1	-143.4	-84.2	0	0	0	114.9	R78 H133 S137 S138	R78-Y135 VanDerWaalsContact NH1-CD1 3.3Å; R78-Y135 VanDerWaalsContact NH2-CZ 3.32Å; H133-Y135 PolarHBondContact O-N 3.2Å; Y135-S137 VanDerWaalsContact C-N 3.29Å; Y135-S137 PolarHBondContact O-N 3.01Å; Y135-S138 PolarHBondContact O-OG 3.43Å
136	E	33.8	Very low	39.4	Very low	133 Å²	133	90.8 Å²	90.8	62%	0.621	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-41.7	174.8	-69.6	-179.5	117.3	0	0	109.8	H133 S138	H133-E136 IonicContact CE1-OE2 3.58Å; H133-E136 IonicContact CG-OE2 3.06Å; H133-E136 IonicContact ND1-OE2 3.96Å; H133-E136 PolarHBondContact ND1-OE2 3.13Å; H133-E136 PolarHBondContact O-N 2.71Å; H133-E136 VanDerWaalsContact O-N 3.16Å; E136-S138 VanDerWaalsContact C-N 3.32Å; E136-S138 PolarHBondContact O-N 3.46Å
137	S	27.1	Very low	37.3	Very low	30 Å²	30	96.6 Å²	96.6	21%	0.21	52%	0.515	C	S	.	.	S	Bend	trans	-80.3	62.1	176.5	-67.4	0	0	0	0	115	Y135 S486 L488 D489	Y135-S137 VanDerWaalsContact C-N 3.29Å; Y135-S137 PolarHBondContact O-N 3.01Å; S137-S486 WeakPolarHBondContact CB-O 3.43Å; S137-L488 VanDerWaalsContact CB-CB 3.47Å; S137-L488 PolarHBondContact OG-N 3.15Å; S137-D489 PolarHBondContact OG-OD2 3.27Å; S137-D489 VanDerWaalsContact OG-OD2 3.05Å
138	S	26.1	Very low	35.6	Very low	71 Å²	71	97.8 Å²	97.8	50%	0.497	52%	0.523	S	S	.	.			trans	-147.6	30.6	171.5	62.8	0	0	0	0	117.4	Y135 E136	Y135-S138 PolarHBondContact O-OG 3.43Å; E136-S138 VanDerWaalsContact C-N 3.32Å; E136-S138 PolarHBondContact O-N 3.46Å
139	G	26.4	Very low	33.9	Very low	41 Å²	41	106.1 Å²	106.1	42%	0.423	56%	0.562	S	S	.	*	S	Bend	trans	-155.8	119.1	170.1	0	0	0	0	0	115.4	L488	G139-L488 WeakPolarHBondContact O-CD2 3.39Å
140	Y	27.5	Very low	32.1	Very low	182 Å²	182	112 Å²	112	71%	0.714	59%	0.591	S	S	*	*			trans	91.6	124.8	-175.9	-64.9	-81.1	0	0	0	117	L488 L491	Y140-L488 WeakPolarHBondContact O-CD1 3.48Å; Y140-L488 VanDerWaalsContact O-CD2 3.3Å; Y140-L488 WeakPolarHBondContact O-CD2 3.21Å; Y140-L488 VanDerWaalsContact O-CG 3.24Å; Y140-L488 WeakPolarHBondContact O-CG 3.45Å; Y140-L491 HydrophobicContact CD1-CD2 4.14Å; Y140-L491 HydrophobicContact CD2-CD1 3.8Å; Y140-L491 HydrophobicContact CD2-CD2 4.07Å; Y140-L491 HydrophobicContact CD2-CG 4.41Å; Y140-L491 HydrophobicContact CE2-CD1 4.31Å; Y140-L491 HydrophobicContact CG-CD1 4.32Å; Y140-L491 HydrophobicContact CG-CD2 3.85Å; Y140-L491 HydrophobicContact CG-CG 4.45Å
141	T	23.9	Very low	30.5	Very low	116 Å²	116	113.3 Å²	113.3	71%	0.712	60%	0.599	S	S	*	*			trans	-145.3	123.7	172.7	53.2	0	0	0	0	111.3	L488	T141-L488 HydrophobicContact CG2-CD1 3.78Å; T141-L488 HydrophobicContact CG2-CG 4.34Å
142	T	27.2	Very low	29.2	Very low	134 Å²	134	116.9 Å²	116.9	82%	0.822	61%	0.613	S	S	*	*			trans	-146.8	104.7	158.3	45.5	0	0	0	0	109.9
143	E	24.8	Very low	28.4	Very low	180 Å²	180	120 Å²	120	84%	0.841	64%	0.635	S	S	*	*			trans	42.6	102.7	143.4	-61	173.2	170.7	0	0	118.6
144	S	24.9	Very low	27.3	Very low	101 Å²	101	122.8 Å²	122.8	71%	0.706	64%	0.641	S	S	*	*				93	152.3	95.2	85.6	0	0	0	0	113.7
145	H	25.2	Very low	26.7	Very low	171 Å²	171	125.4 Å²	125.4	79%	0.792	64%	0.642	S	S	*	*			cis	-155	152.7	12.1	-126.8	-40.3	0	0	0	113
146	S	23.6	Very low	26.2	Very low	87 Å²	87	123.6 Å²	123.6	61%	0.608	65%	0.648	S	S	*	*			trans	90.9	130.3	143.4	81.5	0	0	0	0	123
147	R	25.7	Very low	25.8	Very low	188 Å²	188	120.1 Å²	120.1	71%	0.709	64%	0.638	S	S	*	*			trans	64.6	143.5	148.5	-72.1	-174.5	167.5	123.7	-5.6	120.6	T1746	R147-T1746 PolarHBondContact NH1-O 2.4Å; R147-T1746 VanDerWaalsContact NH1-O 3.07Å
148	S	24	Very low	25.6	Very low	78 Å²	78	125.3 Å²	125.3	55%	0.545	66%	0.659	S	S	.	*			cis	-169.3	143.5	-12.8	41.8	0	0	0	0	112.2
149	E	24.7	Very low	25.6	Very low	179 Å²	179	128 Å²	128	84%	0.836	67%	0.673	S	S	*	*			trans	64.4	158.7	149.3	-70.9	150.5	-174.5	0	0	117.3
150	E	25.9	Very low	25.5	Very low	172 Å²	172	131 Å²	131	80%	0.804	69%	0.686	S	S	*	*			cis	-139.8	121.7	-1.2	-167.1	148.8	-159.7	0	0	113.2
151	C	25.9	Very low	25.5	Very low	101 Å²	101	130 Å²	130	68%	0.682	69%	0.688	S	S	*	*			trans	41.5	138.1	137.1	-83.5	0	0	0	0	128
152	Q	25.2	Very low	25.6	Very low	163 Å²	163	129.6 Å²	129.6	76%	0.762	69%	0.689	S	S	*	*				103.4	145.3	125.6	-67.8	-95	-14.3	0	0	121.1
153	P	35.6	Very low	25.6	Very low	96 Å²	96	131.2 Å²	131.2	62%	0.623	69%	0.693	S	S	*	*			trans	-145.5	-150.2	-147.4	41.4	-16.6	0	0	0	114.7
154	R	24.1	Very low	25.7	Very low	161 Å²	161	131.4 Å²	131.4	61%	0.608	69%	0.694	S	S	*	*			trans	79.7	154.1	178.9	-54.7	167.7	168.8	160.7	-7	111.3
155	R	25.7	Very low	25.9	Very low	116 Å²	116	131 Å²	131	44%	0.438	69%	0.687	S	S	.	*			cis	-156.7	162.5	33.5	177.2	-172.2	-69.9	-165.6	1.1	110.7	Y408 Q409 N410	R155-Y408 WeakPolarHBondContact CD-O 3.34Å; R155-Y408 PolarHBondContact NE-O 3.06Å; R155-Y408 PolarHBondContact NH1-O 3.14Å; R155-Q409 PolarHBondContact NH1-O 3.47Å; R155-N410 PolarHBondContact NH1-OD1 3.27Å
156	C	23.4	Very low	26.1	Very low	96 Å²	96	130.9 Å²	130.9	65%	0.649	68%	0.68	S	S	*	*			trans	-86.1	148.3	177.9	-56.6	0	0	0	0	114.2
157	S	24.4	Very low	26.4	Very low	59 Å²	59	130.9 Å²	130.9	41%	0.413	67%	0.67	S	S	.	*			trans	69.6	131.8	131.1	63.9	0	0	0	0	123.7	R405	S157-R405 VanDerWaalsContact CB-NH2 3.3Å; S157-R405 PolarHBondContact OG-NE 3.29Å; S157-R405 PolarHBondContact OG-NH1 2.97Å; S157-R405 PolarHBondContact OG-NH2 3.25Å; S157-R405 VanDerWaalsContact OG-NH2 3.09Å
158	E	24.2	Very low	26.5	Very low	140 Å²	140	127.2 Å²	127.2	65%	0.654	67%	0.668	S	S	*	*			trans	67.8	134.9	132.4	-68.1	162.5	167.7	0	0	119.5	R405	E158-R405 IonicContact OE1-NH2 3.28Å; E158-R405 IonicContact OE2-CZ 3.87Å; E158-R405 IonicContact OE2-NH1 3.67Å; E158-R405 PolarHBondContact OE2-NH1 3.46Å; E158-R405 IonicContact OE2-NH2 3.92Å; E158-R405 PolarHBondContact OE2-NH2 3.24Å
159	T	25.7	Very low	26.7	Very low	128 Å²	128	128.7 Å²	128.7	79%	0.785	68%	0.679	S	S	*	*			cis	-169.1	-178.5	-15.3	6.8	0	0	0	0	108.3
160	C	24.3	Very low	26.9	Very low	103 Å²	103	127.1 Å²	127.1	70%	0.696	68%	0.681	S	S	*	*			trans	75.5	149.8	-180	-64.1	0	0	0	0	114.8
161	E	26.7	Very low	27.1	Very low	162 Å²	162	122.7 Å²	122.7	76%	0.757	68%	0.682	S	S	*	*			cis	-148.8	135.5	-10.3	-109.9	146	-161	0	0	105.9
162	S	26.2	Very low	27.3	Very low	107 Å²	107	122.5 Å²	122.5	75%	0.748	69%	0.688	S	S	*	*				63.9	118.2	78.2	-56.1	0	0	0	0	115
163	D	26.5	Very low	27.5	Very low	168 Å²	168	122.2 Å²	122.2	90%	0.898	69%	0.686	S	S	*	*			trans	-151.4	159.8	144.3	-112.6	-33.3	0	0	0	111.4
164	Q	28.1	Very low	27.1	Very low	183 Å²	183	127.9 Å²	127.9	86%	0.855	70%	0.695	S	S	*	*			trans	-149.1	149.7	-179.1	-65.4	-174.2	5.8	0	0	111
165	V	30	Very low	27.1	Very low	92 Å²	92	131.6 Å²	131.6	56%	0.558	71%	0.709	S	S	*	*			trans	175.7	161	144.4	140.1	0	0	0	0	110.4	F292	V165-F292 HydrophobicContact CG1-CZ 3.88Å
166	R	27.6	Very low	27.1	Very low	170 Å²	170	131.3 Å²	131.3	64%	0.642	73%	0.725	S	S	*	*			cis	-174.7	151.7	-46.2	-154.5	177.4	-176.7	-162	11.9	110.8
167	Q	29.8	Very low	27.7	Very low	87 Å²	87	138.3 Å²	138.3	41%	0.407	74%	0.738	S	S	.	*			trans	62.3	166.1	160.6	-84.6	153.9	-42.5	0	0	116.5	D260	Q167-D260 PolarHBondContact NE2-OD1 2.97Å
168	T	28	Very low	28	Very low	110 Å²	110	141.6 Å²	141.6	68%	0.675	76%	0.758	S	S	*	*			cis	-130.1	-166.7	4.3	-31.1	0	0	0	0	110
169	S	28.3	Very low	28.3	Very low	109 Å²	109	141.5 Å²	141.5	76%	0.762	76%	0.761	S	S	*	*			trans	-155.1	162.1	177.1	67.4	0	0	0	0	115.3
170	T	30	Very low	28.5	Very low	146 Å²	146	143.2 Å²	143.2	90%	0.896	76%	0.764	S	S	*	*			trans	-142.3	150.5	164.5	51.4	0	0	0	0	109.1
171	G	28.7	Very low	28.7	Very low	80 Å²	80	141.6 Å²	141.6	83%	0.825	77%	0.765	S	S	*	*			cis	171.6	110.1	-13.2	0	0	0	0	0	113.3
172	A	30	Very low	28.6	Very low	96 Å²	96	138.3 Å²	138.3	79%	0.793	76%	0.76	S	S	*	*			trans	-152.8	118.1	170.1	0	0	0	0	0	113.3
173	H	29.5	Very low	28.6	Very low	157 Å²	157	142.1 Å²	142.1	73%	0.727	76%	0.763	S	S	*	*			trans	48.3	101.7	157.9	-66.1	-81.5	0	0	0	123.1
174	R	27.4	Very low	28.6	Very low	215 Å²	215	138.7 Å²	138.7	81%	0.811	75%	0.752	S	S	*	*				61.6	120.2	122	-65.9	-179.4	-175.8	-174.6	-1.3	118.9
175	R	25.8	Very low	28.6	Very low	240 Å²	240	135.6 Å²	135.6	91%	0.906	75%	0.749	S	S	*	*				53.8	133.5	53.1	-59.7	-172.2	178.3	-174.6	0	113.7
176	S	24.3	Very low	28.6	Very low	110 Å²	110	135.4 Å²	135.4	77%	0.769	76%	0.758	S	S	*	*			cis	-171.2	168.4	-3.2	42.7	0	0	0	0	111
177	R	36.5	Very low	28.5	Very low	243 Å²	243	131.7 Å²	131.7	92%	0.917	76%	0.758	S	S	*	*			trans	-48.1	145.5	178.4	-60.6	175.5	174.6	174.2	-2.9	114.1
178	P	30.1	Very low	28.6	Very low	128 Å²	128	133 Å²	133	83%	0.831	78%	0.777	S	S	*	*				-153.9	-164.5	91.6	42.3	-22.8	0	0	0	116.2
179	L	31	Very low	28.6	Very low	138 Å²	138	134.5 Å²	134.5	72%	0.723	78%	0.776	S	S	*	*			trans	-84.1	138	-179.6	-70.3	157.9	0	0	0	114.6
180	L	30.6	Very low	28.9	Very low	164 Å²	164	134.4 Å²	134.4	86%	0.859	77%	0.773	S	S	*	*			trans	-173.6	143.4	149.6	-112.3	158.1	0	0	0	114.5
181	G	27.7	Very low	28.9	Very low	68 Å²	68	134.3 Å²	134.3	70%	0.701	76%	0.762	S	S	*	*			trans	68.2	93.1	138.4	0	0	0	0	0	122.2
182	S	25.4	Very low	28.9	Very low	94 Å²	94	135.4 Å²	135.4	66%	0.657	76%	0.757	S	S	*	*			trans	-81.8	173	138.8	53.2	0	0	0	0	109.8
183	F	26	Very low	29	Very low	187 Å²	187	137.9 Å²	137.9	82%	0.82	76%	0.757	S	S	*	*			cis	-127.8	-166.6	8.5	-72.5	-95	0	0	0	108.8
184	S	25.2	Very low	28.9	Very low	95 Å²	95	135.1 Å²	135.1	66%	0.664	75%	0.754	S	S	*	*			cis	-167.5	172.5	22.4	-155.8	0	0	0	0	108.3
185	C	28.3	Very low	28.7	Very low	118 Å²	118	129 Å²	129	80%	0.797	75%	0.75	S	S	*	*	S	Bend	cis	-142	165.8	10.7	-49.7	0	0	0	0	108.6
186	A	30.3	Very low	28.9	Very low	88 Å²	88	126.2 Å²	126.2	73%	0.727	74%	0.744	S	S	*	*			cis	-147.2	148.5	-9.1	0	0	0	0	0	107.7
187	S	25.7	Very low	28.8	Very low	92 Å²	92	124 Å²	124	64%	0.643	73%	0.726	S	S	*	*			cis	98.4	94.1	14.7	81.8	0	0	0	0	116.9
188	S	31.2	Very low	28.3	Very low	115 Å²	115	121.4 Å²	121.4	80%	0.804	72%	0.721	S	S	*	*			trans	-166.4	83.8	158.8	56.2	0	0	0	0	106.7
189	E	28.9	Very low	28.1	Very low	141 Å²	141	119.3 Å²	119.3	66%	0.659	71%	0.71	S	S	*	*				64.4	143.9	62	-109.2	-155.8	149.4	0	0	113.5	H191	E189-H191 IonicContact OE1-CE1 3.94Å; E189-H191 PolarHBondContact OE1-CE1 2.86Å; E189-H191 IonicContact OE1-CG 2.84Å; E189-H191 PolarHBondContact OE1-N 2.79Å; E189-H191 IonicContact OE1-ND1 3.84Å; E189-H191 PolarHBondContact OE1-ND1 3.08Å; E189-H191 IonicContact OE2-CE1 3.72Å; E189-H191 PolarHBondContact OE2-CE1 2.84Å; E189-H191 VanDerWaalsContact OE2-CE1 3.27Å; E189-H191 IonicContact OE2-ND1 2.81Å; E189-H191 PolarHBondContact OE2-ND1 3.11Å
190	P	35.3	Very low	27.8	Very low	108 Å²	108	120.3 Å²	120.3	70%	0.701	72%	0.716	S	S	*	*				-127.5	140.5	55.9	34.9	-20.4	0	0	0	117.3
191	H	28.7	Very low	27.6	Very low	144 Å²	144	115.8 Å²	115.8	67%	0.667	70%	0.702	S	S	*	*			trans	45.4	123.3	139.7	-41.5	-36.3	0	0	0	118.9	E189	E189-H191 IonicContact OE1-CE1 3.94Å; E189-H191 PolarHBondContact OE1-CE1 2.86Å; E189-H191 IonicContact OE1-CG 2.84Å; E189-H191 PolarHBondContact OE1-N 2.79Å; E189-H191 IonicContact OE1-ND1 3.84Å; E189-H191 PolarHBondContact OE1-ND1 3.08Å; E189-H191 IonicContact OE2-CE1 3.72Å; E189-H191 PolarHBondContact OE2-CE1 2.84Å; E189-H191 VanDerWaalsContact OE2-CE1 3.27Å; E189-H191 IonicContact OE2-ND1 2.81Å; E189-H191 PolarHBondContact OE2-ND1 3.11Å
192	S	30.2	Very low	27.5	Very low	102 Å²	102	118.7 Å²	118.7	71%	0.713	71%	0.706	S	S	*	*			cis	-149.3	-166.5	11.9	68.7	0	0	0	0	109.7
193	D	30.1	Very low	27.4	Very low	149 Å²	149	117.9 Å²	117.9	80%	0.797	70%	0.7	S	S	*	*			cis	-150.6	-159.8	20.7	-146.2	-85.9	0	0	0	113.4
194	C	27.7	Very low	27.4	Very low	98 Å²	98	120.9 Å²	120.9	66%	0.662	71%	0.707	S	S	*	*			trans	-94.6	145.2	-160.6	-166.7	0	0	0	0	114.7
195	A	23.8	Very low	27.4	Very low	88 Å²	88	119.1 Å²	119.1	73%	0.727	70%	0.703	S	S	*	*			trans	-120.4	131.7	167.1	0	0	0	0	0	111.1
196	K	29	Very low	27.3	Very low	180 Å²	180	120.7 Å²	120.7	78%	0.783	71%	0.709	S	S	*	*			trans	-165.2	114.1	163.9	-103.2	136.6	-173.4	173.6	0	109.5
197	T	23.8	Very low	27	Very low	63 Å²	63	121.1 Å²	121.1	39%	0.387	71%	0.713	S	S	.	*				67.6	143.5	89.6	67.2	0	0	0	0	115.8
198	K	25.9	Very low	27.2	Very low	190 Å²	190	119.4 Å²	119.4	83%	0.826	71%	0.71	S	S	*	*			trans	71.1	149.9	159.1	-71.2	178.7	-179.6	-178.6	0	115.9
199	S	25.6	Very low	26.9	Very low	84 Å²	84	122.7 Å²	122.7	59%	0.587	71%	0.712	S	S	*	*			cis	-172.4	153.5	-16.6	48.7	0	0	0	0	110.6
200	N	24.8	Very low	26.8	Very low	159 Å²	159	123.4 Å²	123.4	85%	0.85	72%	0.716	S	S	*	*			trans	65.3	155.9	143.7	-69.7	12.7	0	0	0	118.6
201	A	25.3	Very low	26.6	Very low	69 Å²	69	123.4 Å²	123.4	57%	0.57	71%	0.714	S	S	*	*			cis	-167.5	-174.1	-26.4	0	0	0	0	0	107.9
202	T	25.1	Very low	26.4	Very low	129 Å²	129	120.7 Å²	120.7	79%	0.791	71%	0.711	S	S	*	*			trans	28.7	139.8	139.1	52.6	0	0	0	0	121.3
203	S	23.6	Very low	26.3	Very low	76 Å²	76	123.5 Å²	123.5	53%	0.531	72%	0.717	S	S	.	*			cis	176.9	175.3	-7.8	48.4	0	0	0	0	109.3
204	W	25.8	Very low	26.2	Very low	251 Å²	251	119.4 Å²	119.4	95%	0.951	71%	0.71	S	S	*	*			trans	71.7	139.4	164.1	-49	-17.3	0	0	0	114.2
205	G	26.2	Very low	26.1	Very low	57 Å²	57	123.9 Å²	123.9	59%	0.588	72%	0.721	S	S	*	*			cis	145.7	159.3	-5.8	0	0	0	0	0	111.5
206	T	25.3	Very low	26.2	Very low	152 Å²	152	125 Å²	125	93%	0.933	72%	0.722	S	S	*	*			trans	59.3	158.2	174.6	45.7	0	0	0	0	115.4
207	A	24.3	Very low	26	Very low	97 Å²	97	121.7 Å²	121.7	80%	0.802	72%	0.721	S	S	*	*			cis	-159.5	-176	-24.5	0	0	0	0	0	107
208	G	29.3	Very low	26.1	Very low	56 Å²	56	124.8 Å²	124.8	58%	0.577	74%	0.74	S	S	*	*			trans	106.1	125.5	-178.1	0	0	0	0	0	111
209	E	26.1	Very low	26.1	Very low	183 Å²	183	122.3 Å²	122.3	86%	0.855	73%	0.734	S	S	*	*			cis	66.1	130.9	33.6	-44.6	174.6	154.7	0	0	111.2
210	E	27.6	Very low	26.1	Very low	156 Å²	156	126.3 Å²	126.3	73%	0.729	74%	0.741	S	S	*	*			cis	-159.8	-163.2	3.5	-136	-163.2	-151.6	0	0	113.2
211	T	29.1	Very low	26.2	Very low	108 Å²	108	126.8 Å²	126.8	66%	0.663	74%	0.74	S	S	*	*			trans	-7.8	159.9	153.1	57	0	0	0	0	120.1
212	S	25.1	Very low	26.2	Very low	87 Å²	87	129.7 Å²	129.7	61%	0.608	75%	0.746	S	S	*	*			cis	-176.7	-174	-18.7	59.4	0	0	0	0	109.4
213	I	29.5	Very low	26.3	Very low	162 Å²	162	127.9 Å²	127.9	83%	0.831	74%	0.744	S	S	*	*			trans	69.3	121.9	156.8	-63.7	160.9	0	0	0	119.3
214	G	27.8	Very low	26.6	Very low	63 Å²	63	132.9 Å²	132.9	65%	0.649	76%	0.759	S	S	*	*				79	90.7	118.8	0	0	0	0	0	122.1
215	E	25.5	Very low	26.6	Very low	191 Å²	191	129 Å²	129	89%	0.893	75%	0.751	S	S	*	*			trans	53.7	168.2	134.4	-61.6	-159	127.1	0	0	123.4
216	C	25.5	Very low	27.1	Very low	113 Å²	113	129.7 Å²	129.7	76%	0.764	75%	0.746	S	S	*	*			trans	56.4	71.6	163.9	-70.6	0	0	0	0	119.2
217	S	23.9	Very low	27.1	Very low	109 Å²	109	131.2 Å²	131.2	76%	0.762	74%	0.739	S	S	*	*				15	128.1	126.8	61	0	0	0	0	119.8
218	V	26.4	Very low	27.4	Very low	129 Å²	129	132.5 Å²	132.5	78%	0.782	74%	0.738	S	S	*	*			trans	-157.3	128.6	133.8	122	0	0	0	0	112.6
219	I	26.5	Very low	27.5	Very low	138 Å²	138	135.7 Å²	135.7	71%	0.708	75%	0.746	S	S	*	*			trans	34.9	102.9	146.4	-57.8	171.1	0	0	0	116.8
220	K	26.2	Very low	27.5	Very low	168 Å²	168	136.3 Å²	136.3	73%	0.73	75%	0.746	S	S	*	*				67.4	112	74.5	175.5	-159.5	178.7	-176.3	0	114
221	M	26.4	Very low	27.4	Very low	169 Å²	169	140.8 Å²	140.8	83%	0.833	76%	0.756	S	S	*	*				-160	132.7	126.6	-109.6	170.1	-164.2	0	0	113.2
222	D	24.9	Very low	27.3	Very low	130 Å²	130	140.1 Å²	140.1	70%	0.695	76%	0.761	S	S	*	*			trans	4	146.7	140.7	-51.3	-74	0	0	0	118.2
223	A	27.2	Very low	27.3	Very low	90 Å²	90	140.9 Å²	140.9	74%	0.744	77%	0.767	S	S	*	*				-171.6	-154.3	63	0	0	0	0	0	114.6
224	E	30.4	Very low	27.1	Very low	181 Å²	181	138 Å²	138	85%	0.846	76%	0.761	S	S	*	*			trans	73.7	62.6	162.1	-60.2	-67.5	93.8	0	0	119.5
225	Q	25.5	Very low	27.1	Very low	169 Å²	169	142.1 Å²	142.1	79%	0.79	77%	0.767	S	S	*	*				-58.7	-178.8	126.3	-119.5	-170.1	60.2	0	0	110.4
226	P	36.8	Very low	27.1	Very low	72 Å²	72	137.6 Å²	137.6	47%	0.468	76%	0.757	S	S	.	*			cis	-141.3	-157.8	-14.6	28	-2.1	0	0	0	113.4
227	K	26.1	Very low	27.3	Very low	184 Å²	184	138.2 Å²	138.2	80%	0.8	76%	0.762	S	S	*	*			trans	90.8	142.4	161.4	-47.1	141.5	-170.9	156.3	0	112.6
228	T	30.4	Very low	27.5	Very low	125 Å²	125	136.1 Å²	136.1	77%	0.767	76%	0.757	S	S	*	*			cis	-138.4	148.4	31.2	39.5	0	0	0	0	115.7
229	V	30.9	Very low	27.7	Very low	123 Å²	123	137 Å²	137	75%	0.745	76%	0.758	S	S	*	*			trans	46.4	105.3	132.2	-177.6	0	0	0	0	117.8
230	K	25.3	Very low	28	Very low	196 Å²	196	137.6 Å²	137.6	85%	0.852	76%	0.761	S	S	*	*				56.7	144.7	70.1	-76.5	-170	173.1	179.1	0	116.8
231	R	25.3	Very low	28.4	Very low	250 Å²	250	134.8 Å²	134.8	94%	0.943	76%	0.76	S	S	*	*			trans	88.9	160.8	150.2	-146.4	179.9	-157.9	160	3.4	116.8
232	A	28	Very low	28.6	Very low	93 Å²	93	135.3 Å²	135.3	77%	0.769	76%	0.76	S	S	*	*			trans	65.5	101.6	168.1	0	0	0	0	0	118
233	S	25.1	Very low	28.9	Very low	104 Å²	104	136.5 Å²	136.5	73%	0.727	77%	0.765	S	S	*	*			trans	-68.1	150.6	150.1	50.2	0	0	0	0	111.3
234	S	26	Very low	28.8	Very low	102 Å²	102	140.4 Å²	140.4	71%	0.713	77%	0.768	S	S	*	*			trans	60.6	142.1	159.5	50.6	0	0	0	0	118
235	L	27.5	Very low	28.6	Very low	149 Å²	149	135.7 Å²	135.7	78%	0.78	76%	0.755	S	S	*	*			cis	-160.7	135.9	4.9	-117.1	162.7	0	0	0	110.4
236	S	25.8	Very low	28.5	Very low	96 Å²	96	133.8 Å²	133.8	67%	0.671	75%	0.75	S	S	*	*			trans	68	157.2	134.6	66.1	0	0	0	0	124.4
237	S	28.8	Very low	27.9	Very low	126 Å²	126	138.9 Å²	138.9	88%	0.881	76%	0.761	S	S	*	*			trans	69.7	135.6	173.4	61.5	0	0	0	0	116.3
238	G	28.5	Very low	27.8	Very low	64 Å²	64	140.5 Å²	140.5	66%	0.66	76%	0.762	S	S	*	*			cis	-148.9	176.3	0.3	0	0	0	0	0	113.4
239	D	30.5	Very low	28	Very low	148 Å²	148	137.4 Å²	137.4	79%	0.791	74%	0.744	S	S	*	*			trans	56.8	96.3	168.8	-50.2	-27.5	0	0	0	117.3
240	I	32.5	Very low	27.7	Very low	150 Å²	150	134 Å²	134	77%	0.769	73%	0.726	S	S	*	*				83	132.9	53.9	-61.2	164.3	0	0	0	112.6
241	P	35.4	Very low	27.7	Very low	109 Å²	109	128.1 Å²	128.1	71%	0.708	71%	0.709	S	S	*	*			cis	-103.4	136.6	-8.7	13	9	0	0	0	112.5
242	Q	30.6	Very low	27.6	Very low	180 Å²	180	123.5 Å²	123.5	84%	0.841	70%	0.703	S	S	*	*				68.4	136.4	93.3	-75.8	-159.4	-13.9	0	0	117.9
243	I	29.5	Very low	27.3	Very low	155 Å²	155	123.2 Å²	123.2	80%	0.795	70%	0.695	S	S	*	*			trans	-150.1	149.1	-159.8	-67.2	163.7	0	0	0	107
244	Q	25.7	Very low	27.2	Very low	172 Å²	172	125.8 Å²	125.8	80%	0.804	70%	0.699	S	S	*	*				153.7	122.3	117.4	-149.2	152.1	53.2	0	0	114.3
245	S	25.8	Very low	27	Very low	82 Å²	82	125.6 Å²	125.6	57%	0.573	70%	0.698	S	S	*	*			trans	30	135.7	150.3	68.4	0	0	0	0	121.9
246	N	23.9	Very low	27	Very low	130 Å²	130	123.8 Å²	123.8	70%	0.695	70%	0.697	S	S	*	*				179.4	145.4	95.6	-91.3	-42.9	0	0	0	114.8
247	Y	23.3	Very low	26.9	Very low	179 Å²	179	123.6 Å²	123.6	70%	0.702	70%	0.702	S	S	*	*			trans	41.3	122.7	146.8	-71.2	-121.5	0	0	0	120.4	P387	Y247-P387 PolarHBondContact OH-O 3.3Å
248	R	25	Very low	26.8	Very low	218 Å²	218	125.1 Å²	125.1	82%	0.823	70%	0.699	S	S	*	*				-167.3	142.6	88.8	-160.7	172.1	-170.7	178.4	1.6	113	Y1935	R248-Y1935 PolarHBondContact O-OH 2.77Å
249	P	34.9	Very low	26.6	Very low	59 Å²	59	125 Å²	125	38%	0.383	69%	0.686	S	S	.	*			trans	-109	168.8	173.7	40.1	-33.3	0	0	0	114.2	S385 Y1935	P249-S385 WeakPolarHBondContact CB-OG 3.28Å; P249-S385 WeakPolarHBondContact CG-O 3.44Å; P249-Y1935 VanDerWaalsContact C-OH 3.22Å; P249-Y1935 WeakPolarHBondContact CA-OH 3.37Å; P249-Y1935 PolarHBondContact O-OH 2.84Å
250	S	24.2	Very low	26.4	Very low	53 Å²	53	122.7 Å²	122.7	37%	0.371	67%	0.673	S	S	.	*			trans	-161.6	148.5	173.1	60.4	0	0	0	0	116.4	M1934 Y1935	S250-M1934 WeakPolarHBondContact OG-CE 2.59Å; S250-Y1935 VanDerWaalsContact CB-CE2 3.43Å; S250-Y1935 WeakPolarHBondContact OG-CD1 2.78Å; S250-Y1935 WeakPolarHBondContact OG-CD2 3.42Å; S250-Y1935 VanDerWaalsContact OG-CE1 3.25Å; S250-Y1935 WeakPolarHBondContact OG-CE1 3.47Å; S250-Y1935 VanDerWaalsContact OG-CE2 3.26Å; S250-Y1935 WeakPolarHBondContact OG-CE2 3.44Å
251	S	24.6	Very low	26.1	Very low	71 Å²	71	119.3 Å²	119.3	50%	0.497	66%	0.663	S	S	.	*			trans	55.8	135.9	141	82.5	0	0	0	0	124	M1934	S251-M1934 WeakPolarHBondContact OG-CE 3.23Å
252	L	24.4	Very low	25.9	Very low	153 Å²	153	121.3 Å²	121.3	80%	0.801	66%	0.662	S	S	*	*				23.1	149.5	106.8	-46.1	166	0	0	0	118.5
253	S	22.3	Very low	25.8	Very low	87 Å²	87	117.1 Å²	117.1	61%	0.608	65%	0.653	S	S	*	*			cis	-177.7	153.7	-14.1	-98	0	0	0	0	109.5
254	I	22.5	Very low	25.8	Very low	159 Å²	159	116.8 Å²	116.8	82%	0.815	65%	0.652	S	S	*	*			trans	61.8	117.9	159.5	-55.6	152.8	0	0	0	114.9
255	S	22.1	Very low	25.8	Very low	98 Å²	98	113.1 Å²	113.1	69%	0.685	65%	0.645	S	S	*	*				-173.9	157.9	90.4	-62.8	0	0	0	0	111.9
256	S	26.4	Very low	25.9	Very low	110 Å²	110	117.1 Å²	117.1	77%	0.769	66%	0.66	S	S	*	*			trans	44.8	113.6	155.3	57.4	0	0	0	0	119.5
257	A	23	Very low	26	Very low	92 Å²	92	117.4 Å²	117.4	76%	0.76	66%	0.657	S	S	*	*				88	155.1	51.4	0	0	0	0	0	115.2
258	L	26.7	Very low	26.2	Very low	159 Å²	159	116 Å²	116	83%	0.832	66%	0.657	S	S	*	*			trans	73.1	153.9	-178.4	-53.1	174.3	0	0	0	116.9
259	T	25	Very low	26.3	Very low	61 Å²	61	113.1 Å²	113.1	37%	0.374	66%	0.658	S	S	.	*				-172.3	178.1	-67.7	34.8	0	0	0	0	109.2
260	D	26.9	Very low	26.2	Very low	100 Å²	100	113.8 Å²	113.8	54%	0.535	68%	0.675	S	S	.	*			trans	82.2	139.8	156.6	-44.6	-52.6	0	0	0	118.2	Q167	Q167-D260 PolarHBondContact NE2-OD1 2.97Å
261	S	26.2	Very low	26.5	Very low	79 Å²	79	118.4 Å²	118.4	55%	0.552	70%	0.695	S	S	*	*			cis	149.2	175.7	-21.6	-88.2	0	0	0	0	109.3
262	H	31.1	Very low	26.7	Very low	150 Å²	150	120.4 Å²	120.4	69%	0.694	70%	0.704	S	S	*	*			trans	85.2	145.3	164.7	-61	-64.8	0	0	0	117.9
263	S	28.7	Very low	26.8	Very low	92 Å²	92	118.9 Å²	118.9	64%	0.643	70%	0.697	S	S	*	*			cis	-170.3	-179.1	-2.6	-101.3	0	0	0	0	108.7
264	L	28.8	Very low	27.1	Very low	148 Å²	148	116.7 Å²	116.7	78%	0.775	68%	0.682	S	S	*	*			cis	174.8	158.9	-30	-89.3	177	0	0	0	105
265	S	25.3	Very low	27.2	Very low	95 Å²	95	113.5 Å²	113.5	66%	0.664	67%	0.665	S	S	*	*			cis	-175.7	140.6	-26.3	50	0	0	0	0	110
266	L	28.3	Very low	27.3	Very low	166 Å²	166	112.2 Å²	112.2	87%	0.869	66%	0.656	S	S	*	*			trans	-148.3	143	169.7	-85.8	176.6	0	0	0	108.2
267	Q	25.8	Very low	27.5	Very low	137 Å²	137	114.9 Å²	114.9	64%	0.64	65%	0.654	S	S	*	*			cis	-155.9	147.7	6.6	174	168.4	-12.6	0	0	110.3
268	E	27.9	Very low	27.6	Very low	150 Å²	150	113.9 Å²	113.9	70%	0.701	64%	0.642	S	S	*	*			trans	57.4	130.5	169.1	-71.5	152.6	-149.4	0	0	118.1
269	D	28.1	Very low	27.7	Very low	157 Å²	157	108.3 Å²	108.3	84%	0.84	62%	0.623	S	S	*	*			cis	-150.3	165.5	-8.3	-109.6	-22.8	0	0	0	110.6
270	G	31.2	Very low	28.2	Very low	72 Å²	72	109.1 Å²	109.1	74%	0.742	63%	0.629	S	S	*	*			trans	-89.6	-165.6	-166.6	0	0	0	0	0	117.8
271	N	30.8	Very low	28.2	Very low	150 Å²	150	107.3 Å²	107.3	80%	0.802	62%	0.624	S	S	*	*			cis	-169.7	129.3	9.5	-163.3	31.6	0	0	0	113.2
272	V	28.9	Very low	28.2	Very low	113 Å²	113	107 Å²	107	69%	0.685	62%	0.622	S	S	*	*			trans	59.2	130.2	145.1	163.9	0	0	0	0	120.1
273	N	27.8	Very low	27.9	Very low	122 Å²	122	103.8 Å²	103.8	65%	0.652	61%	0.613	S	S	*	*			cis	-165.8	131.7	9.1	-129.3	1.1	0	0	0	118	K294	N273-K294 WeakPolarHBondContact O-CB 3.15Å; N273-K294 WeakPolarHBondContact O-CG 3.43Å
274	S	26.8	Very low	27.7	Very low	40 Å²	40	108.6 Å²	108.6	28%	0.28	62%	0.618	S	S	.	*			trans	70.3	179.3	151.6	69.8	0	0	0	0	121.9	E293 K294	S274-E293 CarbonylContact O-C 2.92Å; S274-E293 WeakPolarHBondContact O-CA 3.41Å; S274-E293 PolarHBondContact O-N 3.05Å; S274-K294 VanDerWaalsContact C-CG 3.49Å; S274-K294 WeakPolarHBondContact O-CB 3.44Å; S274-K294 WeakPolarHBondContact O-CG 3.38Å; S274-K294 PolarHBondContact O-N 3.28Å; S274-K294 WeakPolarHBondContact OG-CG 3.44Å
275	I	26.3	Very low	27.7	Very low	92 Å²	92	107.8 Å²	107.8	47%	0.472	62%	0.619	S	S	.	*			trans	-68.1	165.6	-153.2	59.6	169.3	0	0	0	125	F292 E293 K294	I275-F292 HydrophobicContact CG2-CD1 3.73Å; I275-F292 HydrophobicContact CG2-CE1 3.75Å; I275-E293 VanDerWaalsContact C-OE2 3.26Å; I275-E293 WeakPolarHBondContact CA-OE2 3.44Å; I275-K294 HydrophobicContact CG1-CD 4.33Å; I275-K294 VanDerWaalsContact O-CA 3.25Å; I275-K294 WeakPolarHBondContact O-CA 3.2Å; I275-K294 VanDerWaalsContact O-CD 3.31Å; I275-K294 WeakPolarHBondContact O-CD 3.49Å; I275-K294 PolarHBondContact O-N 3.29Å
276	S	24.2	Very low	27.8	Very low	71 Å²	71	106.6 Å²	106.6	50%	0.497	62%	0.623	S	S	.	*			trans	113	115.1	149.5	91.3	0	0	0	0	121.4	E293	S276-E293 WeakPolarHBondContact CA-OE1 3.37Å; S276-E293 PolarHBondContact N-OE1 3.38Å; S276-E293 PolarHBondContact N-OE2 2.7Å
277	F	28.9	Very low	27.9	Very low	166 Å²	166	106.4 Å²	106.4	73%	0.728	62%	0.622	S	S	*	*			trans	-152.1	171.7	177.5	-117.1	-100.4	0	0	0	117.7	E293	F277-E293 HydrophobicContact CB-CG 4.23Å; F277-E293 HydrophobicContact CD2-CB 3.65Å; F277-E293 HydrophobicContact CD2-CG 3.54Å; F277-E293 HydrophobicContact CE2-CB 4.1Å; F277-E293 HydrophobicContact CE2-CG 4.28Å; F277-E293 HydrophobicContact CG-CG 4.25Å; F277-E293 PolarHBondContact N-OE1 2.75Å; F277-E293 VanDerWaalsContact N-OE1 3.11Å
278	S	25.9	Very low	27.9	Very low	71 Å²	71	105.6 Å²	105.6	50%	0.497	63%	0.626	S	S	.	*			trans	-155.8	156.2	178.4	56.2	0	0	0	0	114.6	I342 P343 I344	S278-I342 PolarHBondContact OG-O 3.34Å; S278-P343 CarbonylContact O-C 3.49Å; S278-P343 VanDerWaalsContact O-O 3.06Å; S278-I344 VanDerWaalsContact O-O 3.13Å
279	G	28	Very low	27.9	Very low	43 Å²	43	104.4 Å²	104.4	44%	0.443	63%	0.629	S	S	.	*			trans	-112.9	-178.3	-171.8	0	0	0	0	0	119.4	I344	G279-I344 VanDerWaalsContact CA-O 3.25Å; G279-I344 WeakPolarHBondContact CA-O 3.28Å
280	P	36.4	Very low	27.8	Very low	78 Å²	78	102.2 Å²	102.2	51%	0.506	63%	0.626	S	S	.	*			cis	-122.4	-173.6	8.5	44.3	-28.9	0	0	0	115.3	I344 C345	P280-I344 WeakPolarHBondContact O-CA 3.41Å; P280-I344 PolarHBondContact O-N 3.09Å; P280-C345 VanDerWaalsContact CA-C 3.46Å; P280-C345 VanDerWaalsContact CA-CA 3.43Å; P280-C345 WeakPolarHBondContact CA-O 3.43Å
281	C	26	Very low	27.6	Very low	62 Å²	62	105.3 Å²	105.3	42%	0.419	62%	0.621	S	S	.	*			cis	-164.9	171.2	29.5	-161	0	0	0	0	116.8	C345 Q347	C281-C345 PolarHBondContact O-SG 3.23Å; C281-C345 VanDerWaalsContact O-SG 3.37Å; C281-Q347 PolarHBondContact SG-N 3.46Å
282	S	26.4	Very low	27.5	Very low	73 Å²	73	102.7 Å²	102.7	51%	0.51	60%	0.603	S	S	.	*			trans	92.4	114.7	159	65.1	0	0	0	0	126.9	C345	S282-C345 PolarHBondContact N-SG 2.72Å
283	T	24.9	Very low	27.5	Very low	82 Å²	82	101.2 Å²	101.2	50%	0.503	59%	0.589	S	S	.	*			trans	68.4	118.7	146.4	46	0	0	0	0	126.9	Q347	T283-Q347 VanDerWaalsContact CA-OE1 3.26Å
284	Y	25.4	Very low	27.6	Very low	193 Å²	193	99.7 Å²	99.7	76%	0.757	58%	0.576	S	S	*	*			trans	85.1	125.9	138.7	-97.8	-102.8	0	0	0	122.6
285	T	27.6	Very low	27.8	Very low	130 Å²	130	103.8 Å²	103.8	80%	0.798	60%	0.595	S	S	*	*			trans	54.4	107.6	155.4	43	0	0	0	0	121
286	G	29	Very low	27.9	Very low	71 Å²	71	106.2 Å²	106.2	73%	0.732	61%	0.608	S	S	*	*				109.1	111.7	124.2	0	0	0	0	0	119
287	L	29.6	Very low	28.1	Very low	162 Å²	162	110.9 Å²	110.9	85%	0.848	62%	0.622	S	S	*	*			trans	59.4	94.9	143.4	-61	170	0	0	0	120
288	T	25.5	Very low	28.1	Very low	120 Å²	120	107.6 Å²	107.6	74%	0.736	62%	0.62	S	S	*	*				73.1	134.8	128.6	51.2	0	0	0	0	123.4
289	T	28.3	Very low	28.1	Very low	125 Å²	125	112.9 Å²	112.9	77%	0.767	64%	0.636	S	S	*	*			trans	80.1	109.7	146.5	42.4	0	0	0	0	123.2
290	S	26.5	Very low	28	Very low	110 Å²	110	116.3 Å²	116.3	77%	0.769	65%	0.653	S	S	*	*			trans	59.3	146.8	136.3	55.3	0	0	0	0	122.5
291	E	27	Very low	27.6	Very low	137 Å²	137	118.7 Å²	118.7	64%	0.64	67%	0.666	S	S	*	*			cis	-171.7	145.7	-21.5	-154.5	170.5	-155.4	0	0	109.4
292	F	29.1	Very low	27.7	Very low	95 Å²	95	120.3 Å²	120.3	42%	0.417	68%	0.677	S	S	.	*			trans	93.3	153.9	170.3	-52.8	-62.3	0	0	0	122.8	V165 I275	V165-F292 HydrophobicContact CG1-CZ 3.88Å; I275-F292 HydrophobicContact CG2-CD1 3.73Å; I275-F292 HydrophobicContact CG2-CE1 3.75Å
293	E	28.7	Very low	27.8	Very low	83 Å²	83	123.1 Å²	123.1	39%	0.388	69%	0.686	S	S	.	*			trans	-142.9	-93.8	-162.2	-34.2	98.9	107.8	0	0	118.9	S274 I275 S276 F277	S274-E293 CarbonylContact O-C 2.92Å; S274-E293 WeakPolarHBondContact O-CA 3.41Å; S274-E293 PolarHBondContact O-N 3.05Å; I275-E293 VanDerWaalsContact C-OE2 3.26Å; I275-E293 WeakPolarHBondContact CA-OE2 3.44Å; S276-E293 WeakPolarHBondContact CA-OE1 3.37Å; S276-E293 PolarHBondContact N-OE1 3.38Å; S276-E293 PolarHBondContact N-OE2 2.7Å; F277-E293 HydrophobicContact CB-CG 4.23Å; F277-E293 HydrophobicContact CD2-CB 3.65Å; F277-E293 HydrophobicContact CD2-CG 3.54Å; F277-E293 HydrophobicContact CE2-CB 4.1Å; F277-E293 HydrophobicContact CE2-CG 4.28Å; F277-E293 HydrophobicContact CG-CG 4.25Å; F277-E293 PolarHBondContact N-OE1 2.75Å; F277-E293 VanDerWaalsContact N-OE1 3.11Å
294	K	30	Very low	28	Very low	90 Å²	90	125 Å²	125	39%	0.391	69%	0.694	S	S	.	*			trans	67.9	166.6	178.3	-94.9	-38.3	-166.5	68.6	0	121.2	N273 S274 I275	N273-K294 WeakPolarHBondContact O-CB 3.15Å; N273-K294 WeakPolarHBondContact O-CG 3.43Å; S274-K294 VanDerWaalsContact C-CG 3.49Å; S274-K294 WeakPolarHBondContact O-CB 3.44Å; S274-K294 WeakPolarHBondContact O-CG 3.38Å; S274-K294 PolarHBondContact O-N 3.28Å; S274-K294 WeakPolarHBondContact OG-CG 3.44Å; I275-K294 HydrophobicContact CG1-CD 4.33Å; I275-K294 VanDerWaalsContact O-CA 3.25Å; I275-K294 WeakPolarHBondContact O-CA 3.2Å; I275-K294 VanDerWaalsContact O-CD 3.31Å; I275-K294 WeakPolarHBondContact O-CD 3.49Å; I275-K294 PolarHBondContact O-N 3.29Å
295	D	30.9	Very low	28.2	Very low	125 Å²	125	122.4 Å²	122.4	67%	0.668	69%	0.688	S	S	*	*			cis	-141.7	173.3	-13.5	-152.2	-12.1	0	0	0	111.7
296	L	27.4	Very low	28.3	Very low	143 Å²	143	124 Å²	124	75%	0.749	68%	0.684	S	S	*	*			trans	-109.5	134.5	-162.8	-140.4	92.1	0	0	0	115.9
297	Q	28.1	Very low	28.3	Very low	170 Å²	170	128.5 Å²	128.5	79%	0.794	68%	0.684	S	S	*	*				156	156.6	127.8	-85	-169.2	11.7	0	0	117.7
298	S	28.7	Very low	28.3	Very low	97 Å²	97	127.8 Å²	127.8	68%	0.678	68%	0.681	S	S	*	*			trans	65.4	94.8	149.4	59.7	0	0	0	0	123.5
299	Q	25.9	Very low	28.4	Very low	182 Å²	182	130.9 Å²	130.9	85%	0.85	69%	0.687	S	S	*	*				66.3	140.1	119.1	-71.3	-177	-18.9	0	0	124.3
300	S	26.6	Very low	28.4	Very low	114 Å²	114	129.9 Å²	129.9	80%	0.797	69%	0.685	S	S	*	*			trans	78.7	146.9	153.2	85.5	0	0	0	0	117.6
301	V	27.7	Very low	28.5	Very low	129 Å²	129	132.7 Å²	132.7	78%	0.782	69%	0.689	S	S	*	*			cis	-160.3	155.6	-14	114.7	0	0	0	0	110
302	C	27.4	Very low	28.9	Very low	96 Å²	96	130.3 Å²	130.3	65%	0.649	69%	0.693	S	S	*	*			trans	63.5	129.8	166.4	-81.3	0	0	0	0	121.1
303	D	29	Very low	28.8	Very low	131 Å²	131	133.3 Å²	133.3	70%	0.701	71%	0.714	S	S	*	*				46.3	133	126.8	-40	-30.9	0	0	0	120.2
304	N	29.7	Very low	28.7	Very low	122 Å²	122	133.4 Å²	133.4	65%	0.652	72%	0.723	S	S	*	*			cis	-168.4	140.3	41.4	-117.5	-53.1	0	0	0	112.1
305	Q	28.9	Very low	28.7	Very low	138 Å²	138	135 Å²	135	65%	0.645	74%	0.741	S	S	*	*			trans	64.7	154.3	151.4	-57.4	159	38	0	0	116.9
306	F	29.7	Very low	28.7	Very low	163 Å²	163	136.9 Å²	136.9	72%	0.715	75%	0.75	S	S	*	*			cis	-155.7	153.4	23	-111.9	-62.6	0	0	0	111.4
307	K	29.8	Very low	29.2	Very low	167 Å²	167	135 Å²	135	73%	0.726	75%	0.747	S	S	*	*			trans	70.4	148.9	153.7	-66.1	178.4	177.5	-179.3	0	119
308	D	29.3	Very low	29.3	Very low	147 Å²	147	133.2 Å²	133.2	79%	0.786	75%	0.747	S	S	*	*			cis	-154.2	166.7	-8.4	-104.2	-28.4	0	0	0	110.4
309	H	28.6	Very low	29.1	Very low	184 Å²	184	133.6 Å²	133.6	85%	0.852	75%	0.75	S	S	*	*			trans	-129.1	141.7	-177.2	-97.1	-62.8	0	0	0	114.6
310	S	27.2	Very low	29	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	75%	0.746	S	S	*	*			trans	81.9	159.6	141.1	79.1	0	0	0	0	123.6
311	I	29.8	Very low	29.1	Very low	168 Å²	168	134 Å²	134	86%	0.862	75%	0.747	S	S	*	*			trans	85.7	149.3	163.2	-60.5	173.6	0	0	0	117.8
312	A	34.4	Very low	29.2	Very low	87 Å²	87	133.1 Å²	133.1	72%	0.719	74%	0.742	S	S	*	*			trans	-127	172	-162.4	0	0	0	0	0	114
313	N	27.1	Very low	29.3	Very low	159 Å²	159	136 Å²	136	85%	0.85	75%	0.746	S	S	*	*			trans	177.8	164.2	166.2	-98.1	-12.4	0	0	0	107.5
314	S	27.4	Very low	29.5	Very low	84 Å²	84	136.8 Å²	136.8	59%	0.587	74%	0.743	S	S	*	*			cis	164.4	124.6	-28.9	56.1	0	0	0	0	105.3
315	T	28.8	Very low	29.5	Very low	123 Å²	123	137.6 Å²	137.6	76%	0.755	74%	0.743	S	S	*	*			trans	41.4	120.1	159	50.9	0	0	0	0	122.3
316	L	30.9	Very low	29.6	Very low	166 Å²	166	138.6 Å²	138.6	87%	0.869	75%	0.747	S	S	*	*			trans	71.9	164.6	141	-71.6	168.5	0	0	0	117.6
317	P	39.1	Very low	29.6	Very low	104 Å²	104	134.7 Å²	134.7	68%	0.675	75%	0.746	S	S	*	*				-105.4	152	-129.1	39.7	-39.8	0	0	0	117.8
318	V	28.7	Very low	29.6	Very low	131 Å²	131	133.5 Å²	133.5	79%	0.794	75%	0.747	S	S	*	*			trans	70	129.2	167.3	-155.2	0	0	0	0	116.6
319	S	24.5	Very low	29.8	Very low	106 Å²	106	131 Å²	131	74%	0.741	74%	0.738	S	S	*	*			trans	86.2	118.1	168.4	-48.6	0	0	0	0	119
320	C	23.6	Very low	29.9	Very low	114 Å²	114	129.5 Å²	129.5	77%	0.77	74%	0.736	S	S	*	*				44.9	116.8	128.5	-65.2	0	0	0	0	122.6
321	K	28.7	Very low	30.2	Very low	189 Å²	189	129.8 Å²	129.8	82%	0.822	74%	0.735	S	S	*	*				89.5	112.8	128.3	-71	-178.7	176.9	-179.6	0	122.2
322	V	30.1	Very low	30.2	Very low	112 Å²	112	127.8 Å²	127.8	68%	0.679	74%	0.735	S	S	*	*				85.8	117.5	116.3	171.4	0	0	0	0	121
323	Q	29.9	Very low	30	Very low	157 Å²	157	128.7 Å²	128.7	73%	0.734	74%	0.735	S	S	*	*			trans	74.2	154.5	150	-70	176.7	9	0	0	119.1
324	K	32.5	Very low	30.1	Very low	147 Å²	147	127 Å²	127	64%	0.639	73%	0.731	S	S	*	*			cis	-166	150.7	-0	-123.7	168.3	170	-167.4	0	113.5
325	Q	30.7	Very low	29.9	Very low	138 Å²	138	131 Å²	131	65%	0.645	74%	0.744	S	S	*	*			trans	61.2	153.7	141.6	-77.9	174.9	-77.9	0	0	121.5
326	Q	29.9	Very low	29.9	Very low	159 Å²	159	130 Å²	130	74%	0.743	74%	0.741	S	S	*	*			cis	-171.7	160.8	-23.2	-151.7	166.2	0.1	0	0	111.4
327	A	30.4	Very low	29.8	Very low	82 Å²	82	127.6 Å²	127.6	68%	0.678	74%	0.739	S	S	*	*			trans	68.5	151.9	158.4	0	0	0	0	0	118.3
328	N	31.1	Very low	29.3	Very low	141 Å²	141	127.1 Å²	127.1	75%	0.754	74%	0.743	S	S	*	*			cis	-169.1	167.7	-9	-110.8	28	0	0	0	108.1
329	T	32.4	Very low	29.2	Very low	96 Å²	96	125.5 Å²	125.5	59%	0.589	74%	0.738	S	S	*	*			cis	-174.2	151.9	-26.4	27.5	0	0	0	0	109.5
330	N	30	Very low	29.5	Very low	151 Å²	151	131 Å²	131	81%	0.807	74%	0.744	S	S	*	*			trans	72.3	153.7	155.2	-60.3	-9.1	0	0	0	120.4
331	P	34.7	Very low	29.9	Very low	112 Å²	112	130.3 Å²	130.3	73%	0.727	74%	0.741	S	S	*	*			cis	-128.1	-175.8	-19.8	37.7	-20.5	0	0	0	114.3
332	C	29.1	Very low	30.1	Very low	126 Å²	126	127.7 Å²	127.7	85%	0.851	73%	0.734	S	S	*	*			trans	71.3	128.8	173.2	-60.2	0	0	0	0	116.8
333	S	29.6	Very low	30.6	Very low	105 Å²	105	125.3 Å²	125.3	73%	0.734	72%	0.721	S	S	*	*			cis	-156.2	131.6	-9.1	52.5	0	0	0	0	112.7
334	V	30	Very low	30.5	Very low	124 Å²	124	123.3 Å²	123.3	75%	0.752	71%	0.714	S	S	*	*			trans	52.8	92.7	158.4	-168.8	0	0	0	0	117.5
335	I	23.7	Very low	30.3	Very low	169 Å²	169	119.2 Å²	119.2	87%	0.867	70%	0.703	S	S	*	*			trans	-91.6	129.6	130.2	-61.3	169.3	0	0	0	106.4
336	S	28.9	Very low	30.2	Very low	100 Å²	100	117.5 Å²	117.5	70%	0.699	70%	0.696	S	S	*	*			trans	-159.2	91.7	158.8	61.7	0	0	0	0	112.1
337	S	28.6	Very low	30.2	Very low	116 Å²	116	114.9 Å²	114.9	81%	0.811	68%	0.683	S	S	*	*			trans	-81.7	132.4	163.2	53	0	0	0	0	110.7
338	A	29.3	Very low	30.1	Very low	94 Å²	94	116.6 Å²	116.6	78%	0.777	69%	0.685	S	S	*	*			trans	-159.6	145.8	168.1	0	0	0	0	0	108.8
339	S	25.6	Very low	29.9	Very low	98 Å²	98	113.5 Å²	113.5	69%	0.685	67%	0.674	S	S	*	*			cis	-163.1	178.8	-12	-92.7	0	0	0	0	108.7
340	Y	30.8	Very low	29.8	Very low	221 Å²	221	112.4 Å²	112.4	87%	0.867	67%	0.665	S	S	*	*			trans	77.9	128	-178.1	-59.7	-85.7	0	0	0	114.4
341	S	31.5	Very low	29.7	Very low	99 Å²	99	111.4 Å²	111.4	69%	0.692	66%	0.656	S	S	*	*			cis	90.7	137.5	42.5	-64.3	0	0	0	0	112.2
342	I	34.4	Very low	29.3	Very low	134 Å²	134	112 Å²	112	69%	0.687	65%	0.652	S	S	*	*			cis	-154.9	164.5	13.2	-118.9	156.5	0	0	0	112	S278	S278-I342 PolarHBondContact OG-O 3.34Å
343	P	39.1	Very low	29.1	Very low	63 Å²	63	113.7 Å²	113.7	41%	0.409	65%	0.647	S	S	.	*			trans	-137.5	-160.7	-150.5	45.6	-28.1	0	0	0	120.2	S278	S278-P343 CarbonylContact O-C 3.49Å; S278-P343 VanDerWaalsContact O-O 3.06Å
344	I	29.4	Very low	28.9	Very low	114 Å²	114	114.3 Å²	114.3	59%	0.585	64%	0.642	S	S	*	*			trans	88.3	116.4	-179.3	-54.6	172.2	0	0	0	118	S278 G279 P280	S278-I344 VanDerWaalsContact O-O 3.13Å; G279-I344 VanDerWaalsContact CA-O 3.25Å; G279-I344 WeakPolarHBondContact CA-O 3.28Å; P280-I344 WeakPolarHBondContact O-CA 3.41Å; P280-I344 PolarHBondContact O-N 3.09Å
345	C	27	Very low	28.4	Very low	61 Å²	61	111 Å²	111	41%	0.412	62%	0.624	S	S	.	*			cis	-140.6	-175.7	13.2	-138.6	0	0	0	0	110.8	P280 C281 S282	P280-C345 VanDerWaalsContact CA-C 3.46Å; P280-C345 VanDerWaalsContact CA-CA 3.43Å; P280-C345 WeakPolarHBondContact CA-O 3.43Å; C281-C345 PolarHBondContact O-SG 3.23Å; C281-C345 VanDerWaalsContact O-SG 3.37Å; S282-C345 PolarHBondContact N-SG 2.72Å
346	Q	29.7	Very low	29.1	Very low	103 Å²	103	105.1 Å²	105.1	48%	0.481	60%	0.597	S	S	.	*			cis	-160.7	117	-5	-172.9	165	126.8	0	0	113.9
347	Q	29	Very low	29	Very low	104 Å²	104	107.8 Å²	107.8	49%	0.486	59%	0.593	S	S	.	*			trans	54.9	147.5	156.9	-76.6	173.7	-77.7	0	0	121.3	C281 T283	C281-Q347 PolarHBondContact SG-N 3.46Å; T283-Q347 VanDerWaalsContact CA-OE1 3.26Å
348	V	27.3	Very low	28.9	Very low	118 Å²	118	110.4 Å²	110.4	72%	0.715	59%	0.59	S	S	*	*			cis	-150.6	-165	8.3	77.3	0	0	0	0	111.9
349	S	28.5	Very low	28.7	Very low	75 Å²	75	110.9 Å²	110.9	52%	0.524	59%	0.587	S	S	.	*			trans	-137.2	176.2	-166	-55	0	0	0	0	115.6	A414	S349-A414 WeakPolarHBondContact O-CB 3.19Å
350	N	30.6	Very low	28.8	Very low	74 Å²	74	110.7 Å²	110.7	40%	0.396	59%	0.586	S	S	.	*			trans	121.8	105.8	152	-54.1	-19	0	0	0	120.3	A414 Y415	N350-A414 HydrophobicContact CB-CB 4.43Å; N350-A414 VanDerWaalsContact N-CB 3.34Å; N350-A414 VanDerWaalsContact O-CB 3.27Å; N350-A414 WeakPolarHBondContact O-CB 3.09Å; N350-Y415 HydrophobicContact CB-CD1 3.39Å; N350-Y415 HydrophobicContact CB-CD2 3.57Å; N350-Y415 HydrophobicContact CB-CE1 3.67Å; N350-Y415 HydrophobicContact CB-CE2 3.9Å; N350-Y415 HydrophobicContact CB-CG 3.27Å; N350-Y415 WeakPolarHBondContact ND2-CD1 3.24Å; N350-Y415 WeakPolarHBondContact O-CD2 3.3Å; N350-Y415 PolarHBondContact O-N 3.07Å
351	E	26.9	Very low	28.5	Very low	130 Å²	130	111 Å²	111	61%	0.607	59%	0.586	S	S	*	*				57.8	165.8	118.7	-62	-178.1	156.7	0	0	124.5	Y415	E351-Y415 HydrophobicContact CB-CE2 3.72Å; E351-Y415 WeakPolarHBondContact CB-OH 3.37Å; E351-Y415 WeakPolarHBondContact O-CE2 3.2Å; E351-Y415 PolarHBondContact OE2-OH 3.45Å
352	L	26.5	Very low	28.2	Very low	124 Å²	124	113.9 Å²	113.9	65%	0.649	59%	0.593	S	S	*	*			cis	-163.3	146.9	-36.1	-102.1	173.1	0	0	0	111.4
353	Q	24.5	Very low	27.7	Very low	162 Å²	162	112.2 Å²	112.2	76%	0.757	59%	0.592	S	S	*	*			trans	20.7	158.6	146.1	-69.3	179.4	-9.8	0	0	123.9
354	L	25.3	Very low	27.1	Very low	118 Å²	118	113.5 Å²	113.5	62%	0.618	60%	0.603	S	S	*	*			cis	-154.5	-159.6	3.5	-120.9	164.3	0	0	0	113	T472 S473	L354-T472 CarbonylContact C-O 3.47Å; L354-T472 CarbonylContact O-C 3.52Å; L354-S473 CarbonylContact O-C 3.45Å; L354-S473 PolarHBondContact O-N 3.44Å
355	S	20.9	Very low	26.9	Very low	55 Å²	55	115.9 Å²	115.9	39%	0.385	61%	0.606	S	S	.	*			trans	-127.3	175.8	-167.4	85.2	0	0	0	0	116.3	T472	S355-T472 CarbonylContact O-C 3.09Å; S355-T472 VanDerWaalsContact O-C 3.3Å; S355-T472 WeakPolarHBondContact O-CA 3.09Å; S355-T472 PolarHBondContact O-N 3.37Å
356	P	37	Very low	26.8	Very low	45 Å²	45	116.8 Å²	116.8	29%	0.292	61%	0.607	S	S	.	*			cis	-142.5	-170.4	-5.1	43.4	-22.9	0	0	0	117.7	T472	P356-T472 VanDerWaalsContact O-CG2 3.28Å; P356-T472 WeakPolarHBondContact O-CG2 3.09Å
357	Y	27.6	Very low	26.8	Very low	156 Å²	156	115.5 Å²	115.5	61%	0.612	62%	0.621	S	S	*	*			trans	56.3	156.1	159.9	-69.2	-62.3	0	0	0	123.6
358	F	26.9	Very low	26.6	Very low	171 Å²	171	115 Å²	115	75%	0.75	62%	0.618	S	S	*	*			cis	-154.4	150.4	-2.7	-131.6	-56.3	0	0	0	112.2
359	S	25.2	Very low	26.6	Very low	103 Å²	103	112.3 Å²	112.3	72%	0.72	61%	0.605	S	S	*	*			trans	26	147.4	155.5	-76.7	0	0	0	0	124.8
360	S	25.7	Very low	26.4	Very low	95 Å²	95	112.9 Å²	112.9	66%	0.664	60%	0.601	S	S	*	*			cis	-173.6	149.6	-6.3	56	0	0	0	0	116.1
361	R	26.3	Very low	26.5	Very low	228 Å²	228	113.9 Å²	113.9	86%	0.86	61%	0.611	S	S	*	*			trans	78.4	134.4	147.1	-79.5	-178.8	-174.9	-156.6	2.7	123.1
362	L	25.1	Very low	26.4	Very low	159 Å²	159	112.3 Å²	112.3	83%	0.832	62%	0.615	S	S	*	*			trans	66.9	146.5	157.4	-62.3	162.7	0	0	0	116.1
363	S	23.2	Very low	26.4	Very low	98 Å²	98	111.8 Å²	111.8	69%	0.685	62%	0.617	S	S	*	*			cis	179.7	152.8	-9.8	49	0	0	0	0	107.7
364	S	25.8	Very low	26.5	Very low	91 Å²	91	109.6 Å²	109.6	64%	0.636	61%	0.61	S	S	*	*			cis	-176.6	-173.1	-6.4	42	0	0	0	0	108.4
365	Y	26.8	Very low	26.7	Very low	163 Å²	163	109.4 Å²	109.4	64%	0.639	61%	0.609	S	S	*	*			trans	76.2	152.7	177.3	-65.6	-100.7	0	0	0	118	G2371	Y365-G2371 VanDerWaalsContact CE1-CA 3.44Å
366	D	25.1	Very low	27	Very low	81 Å²	81	116.4 Å²	116.4	43%	0.433	63%	0.627	S	S	.	*				-173.4	148.8	-51.1	-99.5	-37.4	0	0	0	107.8	P2370	D366-P2370 WeakPolarHBondContact OD1-CD 3.39Å; D366-P2370 WeakPolarHBondContact OD1-CG 3.33Å; D366-P2370 WeakPolarHBondContact OD2-CB 3.4Å; D366-P2370 WeakPolarHBondContact OD2-CG 3.37Å
367	G	28	Very low	26.7	Very low	75 Å²	75	120.2 Å²	120.2	77%	0.773	64%	0.643	S	S	*	*			trans	178.9	52.9	-172.1	0	0	0	0	0	116.5
368	H	26.1	Very low	27	Very low	94 Å²	94	120.9 Å²	120.9	44%	0.435	65%	0.65	S	S	.	*			trans	-69.5	163.9	169.1	-56.7	-91.2	0	0	0	110.1	S2368 S2369	H368-S2368 PolarHBondContact CE1-O 3.31Å; H368-S2368 PolarHBondContact ND1-O 2.79Å; H368-S2368 PolarHBondContact NE2-O 3.12Å; H368-S2369 WeakPolarHBondContact CB-OG 3.39Å; H368-S2369 VanDerWaalsContact CD2-CB 3.41Å; H368-S2369 WeakPolarHBondContact CD2-CB 3.23Å; H368-S2369 PolarHBondContact CD2-OG 3.25Å
369	S	25.9	Very low	26.9	Very low	61 Å²	61	116.3 Å²	116.3	43%	0.427	65%	0.65	S	S	.	*			cis	-156.4	146.5	24.4	95.8	0	0	0	0	109.6	S2366	S369-S2366 VanDerWaalsContact CB-OG 3.26Å; S369-S2366 WeakPolarHBondContact CB-OG 3.41Å; S369-S2366 PolarHBondContact OG-OG 3.06Å
370	I	25.7	Very low	27	Very low	87 Å²	87	115.5 Å²	115.5	45%	0.446	65%	0.645	S	S	.	*				65.7	147.1	79.4	-98.8	155.9	0	0	0	113	H2367	I370-H2367 HydrophobicContact CD1-CB 3.91Å; I370-H2367 HydrophobicContact CG2-CB 3.97Å
371	P	32.2	Very low	27.1	Very low	95 Å²	95	118.9 Å²	118.9	62%	0.617	65%	0.648	S	S	*	*			cis	-147.4	-169.3	-14.1	41.8	-21.9	0	0	0	116.5
372	S	24.8	Very low	27.5	Very low	98 Å²	98	116 Å²	116	69%	0.685	65%	0.648	S	S	*	*			trans	92.2	123	135.9	-79.8	0	0	0	0	121.5
373	T	26.6	Very low	27.9	Very low	112 Å²	112	111 Å²	111	69%	0.687	63%	0.634	S	S	*	*				96.1	148.1	53.6	-51.9	0	0	0	0	109.6
374	L	27.1	Very low	28.2	Very low	116 Å²	116	114.1 Å²	114.1	61%	0.607	64%	0.638	S	S	*	*			trans	80.7	139.7	171.7	-49	-179.8	0	0	0	113.1	F2412	L374-F2412 HydrophobicContact CB-CE1 4.27Å; L374-F2412 HydrophobicContact CB-CZ 4.43Å; L374-F2412 HydrophobicContact CD1-CE1 4Å; L374-F2412 HydrophobicContact CD1-CZ 3.67Å
375	L	27.8	Very low	28.4	Very low	115 Å²	115	112.9 Å²	112.9	60%	0.602	63%	0.629	S	S	*	*			cis	-164.8	176	-1.4	-125.3	175.7	0	0	0	111.1
376	R	27.7	Very low	28.7	Very low	202 Å²	202	109.5 Å²	109.5	76%	0.762	64%	0.635	S	S	*	*			trans	72.3	162.8	152.6	-77.4	166.4	-172.9	166.1	2.3	114.4
377	I	30.2	Very low	28.9	Very low	124 Å²	124	109.1 Å²	109.1	64%	0.636	64%	0.637	S	S	*	*			cis	-129.3	-179.6	4.9	-141.1	150.5	0	0	0	112.3
378	K	33.8	Very low	28.8	Very low	171 Å²	171	112.4 Å²	112.4	74%	0.743	64%	0.637	S	S	*	*			trans	-23.7	145.3	172.8	-43.5	131.6	-175.2	176.7	0	113.6
379	G	25.7	Very low	28.8	Very low	74 Å²	74	113.6 Å²	113.6	76%	0.763	65%	0.646	S	S	*	*			cis	67.6	162.7	42.1	0	0	0	0	0	110.7
380	S	27.3	Very low	29.1	Very low	87 Å²	87	118 Å²	118	61%	0.608	66%	0.664	S	S	*	*			cis	-171.8	170.6	5.1	174.2	0	0	0	0	107.2
381	F	28.5	Very low	29.5	Very low	165 Å²	165	121.8 Å²	121.8	72%	0.724	67%	0.674	S	S	*	*			trans	69.5	156.6	176	-46.6	-84.2	0	0	0	113.8
382	I	33.5	Very low	29.2	Very low	169 Å²	169	127 Å²	127	87%	0.867	68%	0.683	S	S	*	*			cis	-130.3	148.1	5.3	-55.8	161.1	0	0	0	107
383	G	34.6	Very low	29.3	Very low	53 Å²	53	131 Å²	131	55%	0.546	69%	0.687	S	S	.	*			cis	-159.3	151	-3	0	0	0	0	0	108.7
384	Q	28.8	Very low	29.3	Very low	164 Å²	164	134.9 Å²	134.9	77%	0.766	69%	0.69	S	S	*	*				62.4	128.7	88.2	-62	-177.2	18.1	0	0	113.9
385	S	30.8	Very low	29.2	Very low	64 Å²	64	136.9 Å²	136.9	45%	0.448	70%	0.701	S	S	.	*			cis	-147	129.4	15.8	48.3	0	0	0	0	115.1	P249	P249-S385 WeakPolarHBondContact CB-OG 3.28Å; P249-S385 WeakPolarHBondContact CG-O 3.44Å
386	A	33	Very low	29.1	Very low	93 Å²	93	135.9 Å²	135.9	77%	0.769	70%	0.701	S	S	*	*				-87.1	158.7	114	0	0	0	0	0	107.7
387	P	27.9	Very low	29.3	Very low	73 Å²	73	133.4 Å²	133.4	47%	0.474	70%	0.703	S	S	.	*				-134.9	170	91.5	41.3	-29.3	0	0	0	110.5	Y247 L389	Y247-P387 PolarHBondContact OH-O 3.3Å; P387-L389 HydrophobicContact CB-CD1 4.46Å
388	N	26.3	Very low	29.2	Very low	143 Å²	143	136.7 Å²	136.7	77%	0.765	71%	0.709	S	S	*	*			cis	68.4	156.1	35	-142.9	-7.6	0	0	0	112.9
389	L	25.8	Very low	29	Very low	120 Å²	120	133.1 Å²	133.1	63%	0.628	70%	0.698	S	S	*	*			trans	70.3	143	-166.3	-53.5	138.5	0	0	0	113.4	P387 Y391	P387-L389 HydrophobicContact CB-CD1 4.46Å; L389-Y391 HydrophobicContact CD2-CD2 4.18Å; L389-Y391 HydrophobicContact CD2-CE2 3.83Å
390	L	33	Very low	28.9	Very low	152 Å²	152	137.2 Å²	137.2	80%	0.796	70%	0.697	S	S	*	*	S	Bend	cis	-110.7	138.8	13	-85.3	90.4	0	0	0	116.1
391	Y	34.4	Very low	28.9	Very low	167 Å²	167	142 Å²	142	66%	0.655	71%	0.708	S	S	*	*			trans	51.6	112	133.7	-71	-117.7	0	0	0	118.1	L389	L389-Y391 HydrophobicContact CD2-CD2 4.18Å; L389-Y391 HydrophobicContact CD2-CE2 3.83Å
392	Y	24.4	Very low	29.2	Very low	205 Å²	205	139.3 Å²	139.3	80%	0.804	70%	0.704	S	S	*	*			cis	64.4	98.7	15.5	-106	-72.8	0	0	0	115.9
393	K	28.4	Very low	28.8	Very low	181 Å²	181	139.1 Å²	139.1	79%	0.787	70%	0.699	S	S	*	*			trans	-122.7	133.2	130.9	-84	-168.1	172.8	-172.2	0	105.4
394	R	26	Very low	28.4	Very low	195 Å²	195	141.4 Å²	141.4	74%	0.736	71%	0.706	S	S	*	*				60.8	121.6	65.8	-62.8	-179.4	-178.3	169.9	1	109.4
395	D	25.8	Very low	28.2	Very low	158 Å²	158	140.8 Å²	140.8	85%	0.845	70%	0.697	S	S	*	*			cis	-99.7	175.2	41.7	-82.6	-25.8	0	0	0	118.6
396	P	25.9	Very low	28.1	Very low	93 Å²	93	140.8 Å²	140.8	60%	0.604	69%	0.692	S	S	*	*			trans	-125.2	158.4	-159.4	42	-29.4	0	0	0	116.1
397	N	31.1	Very low	28	Very low	151 Å²	151	138.8 Å²	138.8	81%	0.807	67%	0.672	S	S	*	*			trans	168.5	153.5	142.2	-88.6	-21.5	0	0	0	109.4
398	Y	29.1	Very low	28	Very low	193 Å²	193	138.4 Å²	138.4	76%	0.757	66%	0.662	S	S	*	*			cis	-150.9	163.9	-40.4	-158.7	-108.9	0	0	0	108
399	N	28.4	Very low	28.1	Very low	96 Å²	96	137.4 Å²	137.4	51%	0.513	65%	0.652	S	S	.	*			trans	-19	136.5	177.9	-63.4	6.6	0	0	0	118.8
400	Q	23.9	Very low	28.2	Very low	159 Å²	159	137.7 Å²	137.7	74%	0.743	65%	0.654	S	S	*	*				66.8	93.5	57.5	-179.2	-156.2	10.2	0	0	113.6
401	F	27.2	Very low	27.8	Very low	188 Å²	188	137 Å²	137	83%	0.825	66%	0.656	S	S	*	*			trans	-157.2	132.3	149.7	-103.8	-91.6	0	0	0	105.3
402	V	35.4	Very low	27.4	Very low	108 Å²	108	131.4 Å²	131.4	66%	0.655	64%	0.642	S	S	*	*				63.4	128.9	89.1	168.2	0	0	0	0	113.1
403	H	25.7	Very low	27.3	Very low	165 Å²	165	126.7 Å²	126.7	76%	0.764	64%	0.639	S	S	*	*			cis	-155.5	-177.7	-13.7	-127.1	-48.6	0	0	0	113.6
404	C	24.4	Very low	27	Very low	102 Å²	102	120.2 Å²	120.2	69%	0.689	62%	0.619	S	S	*	*			trans	-66.6	-171.7	168.5	-48.9	0	0	0	0	112.8
405	R	24.9	Very low	26.9	Very low	150 Å²	150	115.5 Å²	115.5	57%	0.566	60%	0.602	S	S	*	*			trans	62.6	102.8	174.1	-69.8	-175	176.2	131.3	13.1	114.4	S157 E158 S407	S157-R405 VanDerWaalsContact CB-NH2 3.3Å; S157-R405 PolarHBondContact OG-NE 3.29Å; S157-R405 PolarHBondContact OG-NH1 2.97Å; S157-R405 PolarHBondContact OG-NH2 3.25Å; S157-R405 VanDerWaalsContact OG-NH2 3.09Å; E158-R405 IonicContact OE1-NH2 3.28Å; E158-R405 IonicContact OE2-CZ 3.87Å; E158-R405 IonicContact OE2-NH1 3.67Å; E158-R405 PolarHBondContact OE2-NH1 3.46Å; E158-R405 IonicContact OE2-NH2 3.92Å; E158-R405 PolarHBondContact OE2-NH2 3.24Å; R405-S407 PolarHBondContact O-N 3.07Å
406	N	29.5	Very low	26.8	Very low	64 Å²	64	113.3 Å²	113.3	34%	0.342	59%	0.594	S	S	.	*			trans	-68.1	100	139.3	-76.3	-89.2	0	0	0	107.6	T478 Q479	N406-T478 WeakPolarHBondContact CB-O 3.17Å; N406-T478 VanDerWaalsContact OD1-CB 3.24Å; N406-T478 WeakPolarHBondContact OD1-CB 3.24Å; N406-T478 PolarHBondContact OD1-O 2.97Å; N406-T478 PolarHBondContact OD1-OG1 3.03Å; N406-Q479 WeakPolarHBondContact ND2-CB 2.75Å; N406-Q479 PolarHBondContact ND2-O 2.79Å
407	S	30	Very low	27.1	Very low	51 Å²	51	112.8 Å²	112.8	36%	0.357	59%	0.591	S	S	.	*			trans	73.3	167.3	149.7	-38	0	0	0	0	113.3	R405 H477	R405-S407 PolarHBondContact O-N 3.07Å; S407-H477 PolarHBondContact OG-O 3.45Å
408	Y	28.5	Very low	27.4	Very low	65 Å²	65	111.3 Å²	111.3	26%	0.255	59%	0.59	S	S	.	*			cis	-145.1	125	10.7	-132.6	-72.7	0	0	0	106.4	R155 F476	R155-Y408 WeakPolarHBondContact CD-O 3.34Å; R155-Y408 PolarHBondContact NE-O 3.06Å; R155-Y408 PolarHBondContact NH1-O 3.14Å; Y408-F476 PolarHBondContact OH-O 3.02Å
409	Q	28.2	Very low	27.1	Very low	123 Å²	123	106.1 Å²	106.1	58%	0.575	58%	0.581	S	S	*	*			trans	43.8	144.4	162.5	-63.6	156.8	-23.1	0	0	120.6	R155	R155-Q409 PolarHBondContact NH1-O 3.47Å
410	N	28.4	Very low	27	Very low	125 Å²	125	105.5 Å²	105.5	67%	0.668	59%	0.585	S	S	*	*	S	Bend		179.9	127.7	123.8	-94.8	10	0	0	0	110.3	R155 S412	R155-N410 PolarHBondContact NH1-OD1 3.27Å; N410-S412 WeakPolarHBondContact OD1-CB 3.21Å
411	V	25.2	Very low	27.1	Very low	137 Å²	137	104.1 Å²	104.1	83%	0.83	58%	0.582	S	S	*	*	S	Bend	cis	6.4	104.9	-42.5	-177.8	0	0	0	0	114.1
412	S	24.9	Very low	27.3	Very low	51 Å²	51	102.9 Å²	102.9	36%	0.357	58%	0.576	S	S	.	*			cis	68.7	128.5	11.4	-143.8	0	0	0	0	115.2	N410	N410-S412 WeakPolarHBondContact OD1-CB 3.21Å
413	S	22.1	Very low	27.1	Very low	105 Å²	105	102.5 Å²	102.5	73%	0.734	58%	0.578	S	S	*	*			trans	18.2	114.4	145.5	56.3	0	0	0	0	116
414	A	22.9	Very low	27.2	Very low	46 Å²	46	100.1 Å²	100.1	38%	0.38	58%	0.577	S	S	.	*			cis	-169.2	-149	24.2	0	0	0	0	0	110.3	S349 N350	S349-A414 WeakPolarHBondContact O-CB 3.19Å; N350-A414 HydrophobicContact CB-CB 4.43Å; N350-A414 VanDerWaalsContact N-CB 3.34Å; N350-A414 VanDerWaalsContact O-CB 3.27Å; N350-A414 WeakPolarHBondContact O-CB 3.09Å
415	Y	23.5	Very low	27.5	Very low	95 Å²	95	100 Å²	100	37%	0.373	57%	0.567	S	S	.	*			trans	-42.3	142.7	173.5	-76.7	-169.1	0	0	0	112	N350 E351	N350-Y415 HydrophobicContact CB-CD1 3.39Å; N350-Y415 HydrophobicContact CB-CD2 3.57Å; N350-Y415 HydrophobicContact CB-CE1 3.67Å; N350-Y415 HydrophobicContact CB-CE2 3.9Å; N350-Y415 HydrophobicContact CB-CG 3.27Å; N350-Y415 WeakPolarHBondContact ND2-CD1 3.24Å; N350-Y415 WeakPolarHBondContact O-CD2 3.3Å; N350-Y415 PolarHBondContact O-N 3.07Å; E351-Y415 HydrophobicContact CB-CE2 3.72Å; E351-Y415 WeakPolarHBondContact CB-OH 3.37Å; E351-Y415 WeakPolarHBondContact O-CE2 3.2Å; E351-Y415 PolarHBondContact OE2-OH 3.45Å
416	T	24	Very low	27.7	Very low	112 Å²	112	97 Å²	97	69%	0.687	57%	0.568	S	S	*	*				50.2	170.9	58.7	100.5	0	0	0	0	113.2
417	P	32.7	Very low	27.7	Very low	83 Å²	83	102.3 Å²	102.3	54%	0.539	59%	0.589	S	S	.	*			cis	-91.2	-139.2	-45.1	42.1	-31.8	0	0	0	105.5
418	P	36.6	Very low	27.6	Very low	120 Å²	120	106.4 Å²	106.4	78%	0.779	61%	0.606	S	S	*	*			cis	-67.4	142.7	-1.5	-20	36	0	0	0	111.4
419	S	24.1	Very low	27.4	Very low	83 Å²	83	108.8 Å²	108.8	58%	0.58	63%	0.63	S	S	*	*			cis	59.7	151.6	35.8	86.3	0	0	0	0	111
420	S	25.2	Very low	27.2	Very low	83 Å²	83	107.8 Å²	107.8	58%	0.58	64%	0.637	S	S	*	*			cis	-155.8	159.5	35.8	-40.8	0	0	0	0	112.5
421	L	25.7	Very low	26.9	Very low	131 Å²	131	111.1 Å²	111.1	69%	0.686	65%	0.645	S	S	*	*				29.7	112.7	119.3	-53.1	172.6	0	0	0	113.8
422	K	31.5	Very low	27.5	Very low	162 Å²	162	109 Å²	109	70%	0.704	64%	0.642	S	S	*	*			cis	-164.3	141.4	39.3	-101.4	135	-173.6	175	0	107.8
423	S	30.7	Very low	28	Very low	100 Å²	100	111.7 Å²	111.7	70%	0.699	66%	0.659	S	S	*	*				41.1	78.4	54.4	68.2	0	0	0	0	113
424	P	28.7	Very low	28.1	Very low	114 Å²	114	113.8 Å²	113.8	74%	0.74	66%	0.661	S	S	*	*				-142.3	170.1	110	45.9	-34.1	0	0	0	111
425	E	30.3	Very low	28.5	Very low	100 Å²	100	116.7 Å²	116.7	47%	0.467	68%	0.679	S	S	.	*			cis	-130.1	129.1	3.3	-72.9	-177.2	151.8	0	0	107.6	N450 Q451	E425-N450 PolarHBondContact OE2-ND2 2.81Å; E425-Q451 VanDerWaalsContact CD-NE2 3.29Å; E425-Q451 PolarHBondContact OE1-NE2 3.46Å; E425-Q451 PolarHBondContact OE2-NE2 3.5Å
426	S	28.9	Very low	28.9	Very low	86 Å²	86	117 Å²	117	60%	0.601	69%	0.692	S	S	*	*				80.1	159	101.1	97.5	0	0	0	0	114.5
427	F	29.1	Very low	29	Very low	176 Å²	176	119.4 Å²	119.4	77%	0.772	69%	0.693	S	S	*	*			cis	-156	162	5.5	-121.3	-40.6	0	0	0	110
428	I	29.1	Very low	28.7	Very low	138 Å²	138	124 Å²	124	71%	0.708	70%	0.701	S	S	*	*			trans	67.7	114.8	148.5	-72.1	163.5	0	0	0	116
429	C	23.9	Very low	28.2	Very low	115 Å²	115	126.2 Å²	126.2	78%	0.777	70%	0.701	S	S	*	*				65.4	144.3	82.5	-87.3	0	0	0	0	113.9
430	S	23.8	Very low	28.3	Very low	101 Å²	101	125.9 Å²	125.9	71%	0.706	70%	0.704	S	S	*	*			cis	-165.5	-172	1.8	41.8	0	0	0	0	110.5
431	K	22.9	Very low	28.4	Very low	196 Å²	196	129.3 Å²	129.3	85%	0.852	71%	0.714	S	S	*	*			trans	4.3	136.2	152.3	-60.8	179.4	177.6	-179.1	0	118.2
432	A	36.2	Very low	28.4	Very low	93 Å²	93	128.1 Å²	128.1	77%	0.769	71%	0.712	S	S	*	*			trans	-51.9	157.4	152.9	0	0	0	0	0	111.6
433	P	36.8	Very low	28.1	Very low	107 Å²	107	131.3 Å²	131.3	70%	0.695	72%	0.72	S	S	*	*			cis	-136.2	-153	27.1	41.2	-21.2	0	0	0	114.3
434	N	23.3	Very low	27.9	Very low	148 Å²	148	135.8 Å²	135.8	79%	0.791	73%	0.729	S	S	*	*			trans	74.8	107.5	165	-62.6	-11.2	0	0	0	118.9
435	S	30.8	Very low	27.8	Very low	107 Å²	107	135.2 Å²	135.2	75%	0.748	73%	0.728	S	S	*	*			trans	-56.3	161.8	137.4	63.5	0	0	0	0	111
436	P	32.5	Very low	27.7	Very low	101 Å²	101	139.6 Å²	139.6	66%	0.656	75%	0.745	S	S	*	*			cis	-152.9	177.9	28.7	43.8	-23.1	0	0	0	119.2
437	K	25.7	Very low	27.6	Very low	163 Å²	163	142 Å²	142	71%	0.709	76%	0.756	S	S	*	*			trans	68.2	142.4	134.6	-87.9	167.9	175.2	-179	0	123.5
438	Y	27.2	Very low	27.3	Very low	180 Å²	180	139.2 Å²	139.2	71%	0.706	76%	0.759	S	S	*	*			trans	66.8	141	146.8	-71.9	-51.6	0	0	0	118.4
439	E	25.6	Very low	27.3	Very low	166 Å²	166	139.1 Å²	139.1	78%	0.776	77%	0.765	S	S	*	*			cis	-157.1	-167.1	-9.5	-163.9	151.2	-131	0	0	109.8
440	A	27	Very low	27.5	Very low	77 Å²	77	138.6 Å²	138.6	64%	0.636	75%	0.754	S	S	*	*			trans	80.2	92.9	156.7	0	0	0	0	0	120.3
441	I	27.2	Very low	27.8	Very low	155 Å²	155	140.1 Å²	140.1	80%	0.795	75%	0.75	S	S	*	*				69.6	102.7	119.4	-63.1	160.4	0	0	0	119.3
442	V	25.7	Very low	28.1	Very low	106 Å²	106	135 Å²	135	64%	0.642	74%	0.739	S	S	*	*				53.1	107	127.7	-173.4	0	0	0	0	119.8
443	R	25.4	Very low	27.8	Very low	229 Å²	229	137.8 Å²	137.8	86%	0.864	74%	0.74	S	S	*	*			trans	60.7	119.4	152	-57.4	165.5	-173.6	149.9	-3.4	118.3
444	Q	26.6	Very low	27.3	Very low	194 Å²	194	140.8 Å²	140.8	91%	0.907	75%	0.749	S	S	*	*				-176.1	-158.8	101.5	-95	-166.4	14.3	0	0	110.7
445	S	25.2	Very low	27.5	Very low	101 Å²	101	137 Å²	137	71%	0.706	75%	0.746	S	S	*	*			trans	-134.5	147.2	-150.1	60.5	0	0	0	0	117
446	K	28.3	Very low	27.3	Very low	192 Å²	192	137.1 Å²	137.1	84%	0.835	75%	0.747	S	S	*	*			trans	71.8	106.7	152.6	-71.1	-177.5	174.6	-175.4	0	121.6
447	V	26.9	Very low	27.1	Very low	137 Å²	137	139.1 Å²	139.1	83%	0.83	76%	0.757	S	S	*	*				59.2	109	122.8	-177.3	0	0	0	0	121.2
448	S	23.7	Very low	27.2	Very low	118 Å²	118	136.9 Å²	136.9	83%	0.825	76%	0.762	S	S	*	*				164.4	165.2	120	47.2	0	0	0	0	112.6
449	T	28.8	Very low	27.3	Very low	136 Å²	136	131.7 Å²	131.7	83%	0.834	76%	0.763	S	S	*	*			trans	-119.1	-171.7	-161	51.4	0	0	0	0	113.3
450	N	27.6	Very low	27.5	Very low	103 Å²	103	128.5 Å²	128.5	55%	0.551	77%	0.765	S	S	*	*			cis	-167.2	174.6	23.9	-163	11.4	0	0	0	113.5	E425	E425-N450 PolarHBondContact OE2-ND2 2.81Å
451	Q	30.7	Very low	27.6	Very low	133 Å²	133	132.1 Å²	132.1	62%	0.621	77%	0.773	S	S	*	*			trans	65.4	163.3	160.9	-73.3	172.1	4.9	0	0	119.6	E425	E425-Q451 VanDerWaalsContact CD-NE2 3.29Å; E425-Q451 PolarHBondContact OE1-NE2 3.46Å; E425-Q451 PolarHBondContact OE2-NE2 3.5Å
452	S	29.7	Very low	27.8	Very low	89 Å²	89	132.8 Å²	132.8	62%	0.622	77%	0.77	S	S	*	*			cis	-169.4	171.4	-32.9	65.4	0	0	0	0	113.5
453	L	28.9	Very low	28.1	Very low	152 Å²	152	133.2 Å²	133.2	80%	0.796	77%	0.769	S	S	*	*			trans	61.5	115.2	149.2	-89.2	165.3	0	0	0	123.8
454	L	26.9	Very low	28.4	Very low	169 Å²	169	129.4 Å²	129.4	89%	0.885	76%	0.764	S	S	*	*				150.2	123.1	119.7	-87.8	162	0	0	0	117.7
455	G	28.2	Very low	28.5	Very low	70 Å²	70	126.2 Å²	126.2	72%	0.722	75%	0.753	S	S	*	*			trans	67.9	166	149.9	0	0	0	0	0	121.5
456	S	26.2	Very low	28.7	Very low	109 Å²	109	129.4 Å²	129.4	76%	0.762	76%	0.757	S	S	*	*			cis	-173.4	158.9	-20.6	-92.3	0	0	0	0	111.3
457	T	26.9	Very low	28.7	Very low	142 Å²	142	125.5 Å²	125.5	87%	0.871	75%	0.745	S	S	*	*			trans	65.5	155.5	167.8	61.7	0	0	0	0	118.8
458	S	27.9	Very low	28.9	Very low	116 Å²	116	124.8 Å²	124.8	81%	0.811	74%	0.742	S	S	*	*			cis	-169.8	153.8	-19.4	50	0	0	0	0	112
459	G	30.3	Very low	29.2	Very low	71 Å²	71	126.3 Å²	126.3	73%	0.732	74%	0.736	S	S	*	*			trans	117.6	108.4	168.4	0	0	0	0	0	112.9
460	A	29.7	Very low	29	Very low	99 Å²	99	125.1 Å²	125.1	82%	0.818	73%	0.728	S	S	*	*				65.1	115.1	63.7	0	0	0	0	0	111.8
461	L	29.2	Very low	28.9	Very low	154 Å²	154	126 Å²	126	81%	0.806	73%	0.733	S	S	*	*			cis	-147.3	-175.7	7.6	-106.1	172.2	0	0	0	108.5
462	K	31.2	Very low	28.6	Very low	168 Å²	168	123.4 Å²	123.4	73%	0.73	73%	0.726	S	S	*	*			cis	-135.5	-92.8	25	-142.8	-147.2	176	-167.6	0	116.6
463	N	31.9	Very low	28.4	Very low	115 Å²	115	122.5 Å²	122.5	62%	0.615	72%	0.719	S	S	*	*			trans	-151.8	169.4	-165.2	-56.3	112.4	0	0	0	109.2
464	I	31.4	Very low	28.2	Very low	149 Å²	149	120.7 Å²	120.7	76%	0.764	71%	0.71	S	S	*	*			cis	-147.1	174.3	3.7	-145.8	161.9	0	0	0	111.9
465	D	29.4	Very low	28.8	Very low	128 Å²	128	116.7 Å²	116.7	68%	0.684	69%	0.694	S	S	*	*			trans	-79.7	-175	-178.6	-44.6	-81.5	0	0	0	112.6
466	E	29.8	Very low	28.7	Very low	168 Å²	168	120.8 Å²	120.8	79%	0.785	69%	0.692	S	S	*	*			cis	-156.5	177.2	13.5	-155.9	153.4	-152.5	0	0	114.4
467	N	28.5	Very low	28.7	Very low	109 Å²	109	120.7 Å²	120.7	58%	0.583	68%	0.68	S	S	*	*			trans	-42.7	167.3	176.7	-57.2	-58.8	0	0	0	116.8
468	T	30.7	Very low	28.7	Very low	123 Å²	123	117.7 Å²	117.7	76%	0.755	66%	0.661	S	S	*	*			cis	-162.7	118.1	40	-42	0	0	0	0	109.3
469	Q	29.7	Very low	28.7	Very low	150 Å²	150	118.5 Å²	118.5	70%	0.701	65%	0.652	S	S	*	*				57.7	150.8	91	-60.4	-175.5	17.3	0	0	118.2
470	T	24.3	Very low	28.4	Very low	111 Å²	111	124.8 Å²	124.8	68%	0.681	65%	0.654	S	S	*	*				172	137.2	-58.6	37	0	0	0	0	113.4
471	L	24.8	Very low	28.2	Very low	122 Å²	122	131.1 Å²	131.1	64%	0.639	66%	0.656	S	S	*	*			trans	59.9	177.7	148.5	-60.2	176.2	0	0	0	118.3
472	T	24.6	Very low	27.8	Very low	78 Å²	78	128.6 Å²	128.6	48%	0.479	65%	0.652	S	S	.	*			cis	-158.5	170.2	-8.5	0.4	0	0	0	0	107.3	L354 S355 P356	L354-T472 CarbonylContact C-O 3.47Å; L354-T472 CarbonylContact O-C 3.52Å; S355-T472 CarbonylContact O-C 3.09Å; S355-T472 VanDerWaalsContact O-C 3.3Å; S355-T472 WeakPolarHBondContact O-CA 3.09Å; S355-T472 PolarHBondContact O-N 3.37Å; P356-T472 VanDerWaalsContact O-CG2 3.28Å; P356-T472 WeakPolarHBondContact O-CG2 3.09Å
473	S	26.2	Very low	27.4	Very low	69 Å²	69	129.2 Å²	129.2	48%	0.483	66%	0.659	S	S	.	*			cis	-156.6	116	-6.4	56.4	0	0	0	0	114.7	L354	L354-S473 CarbonylContact O-C 3.45Å; L354-S473 PolarHBondContact O-N 3.44Å
474	L	25.6	Very low	27.1	Very low	114 Å²	114	131.1 Å²	131.1	60%	0.597	67%	0.669	S	S	*	*			trans	79.8	-160.4	148.3	-60.3	164.5	0	0	0	120
475	P	38.8	Very low	26.8	Very low	85 Å²	85	129.8 Å²	129.8	55%	0.552	67%	0.667	S	S	*	*				-145.9	-174.3	-88.2	47	-31.2	0	0	0	120.4
476	F	26.8	Very low	26.7	Very low	156 Å²	156	127.3 Å²	127.3	68%	0.684	66%	0.66	S	S	*	*				134.2	147.4	128.7	-93.1	-44	0	0	0	123	Y408	Y408-F476 PolarHBondContact OH-O 3.02Å
477	H	25.8	Very low	26.6	Very low	108 Å²	108	122.6 Å²	122.6	50%	0.5	66%	0.657	S	S	.	*			trans	65.5	86.6	151.7	-85.9	-73.8	0	0	0	126.3	S407	S407-H477 PolarHBondContact OG-O 3.45Å
478	T	26.5	Very low	26.5	Very low	79 Å²	79	119.5 Å²	119.5	49%	0.485	64%	0.64	S	S	.	*				73.6	149.8	114.7	52	0	0	0	0	127.5	N406	N406-T478 WeakPolarHBondContact CB-O 3.17Å; N406-T478 VanDerWaalsContact OD1-CB 3.24Å; N406-T478 WeakPolarHBondContact OD1-CB 3.24Å; N406-T478 PolarHBondContact OD1-O 2.97Å; N406-T478 PolarHBondContact OD1-OG1 3.03Å
479	Q	26.6	Very low	26.3	Very low	133 Å²	133	118.3 Å²	118.3	62%	0.621	63%	0.628	S	S	*	*			trans	51.1	114	145.6	-89	-165.4	37.6	0	0	125.3	N406	N406-Q479 WeakPolarHBondContact ND2-CB 2.75Å; N406-Q479 PolarHBondContact ND2-O 2.79Å
480	R	24.9	Very low	26.3	Very low	202 Å²	202	116.6 Å²	116.6	76%	0.762	63%	0.633	S	S	*	*				117.3	118.7	109.8	-108.6	-173.4	178.8	-167.6	0.8	119.9
481	R	24.7	Very low	26.4	Very low	233 Å²	233	116.2 Å²	116.2	88%	0.879	63%	0.626	S	S	*	*			trans	57.5	123.7	160.9	-68.2	-177.4	169.3	-175.4	-5	116.2
482	S	22	Very low	26.5	Very low	101 Å²	101	116.3 Å²	116.3	71%	0.706	64%	0.638	S	S	*	*				-170.2	161.5	61	-167.3	0	0	0	0	112.9
483	M	22	Very low	26.6	Very low	180 Å²	180	116.1 Å²	116.1	89%	0.887	65%	0.651	S	S	*	*			trans	65.1	142.6	153.9	-88	158.4	157.6	0	0	122.4
484	L	26.2	Very low	26.7	Very low	156 Å²	156	118.2 Å²	118.2	82%	0.817	67%	0.666	S	S	*	*			trans	-61.5	146.8	160.2	-64.4	142.8	0	0	0	111.1
485	V	25	Very low	26.8	Very low	120 Å²	120	118.3 Å²	118.3	73%	0.727	68%	0.676	S	S	*	*			trans	-138.6	135.4	130.4	175.4	0	0	0	0	107
486	S	27.2	Very low	26.1	Very low	77 Å²	77	117.9 Å²	117.9	54%	0.538	69%	0.687	S	S	.	*			trans	-87.5	123.1	165.2	-63.2	0	0	0	0	108.4	S137	S137-S486 WeakPolarHBondContact CB-O 3.43Å
487	G	27.2	Very low	26	Very low	69 Å²	69	116.2 Å²	116.2	71%	0.711	69%	0.693	S	S	*	*			trans	-90.7	149.6	163.8	0	0	0	0	0	109.9
488	L	26.6	Very low	26.1	Very low	44 Å²	44	119.7 Å²	119.7	23%	0.23	71%	0.712	C	S	.	*			trans	-145.9	-163.1	-171.3	-159.3	119.4	0	0	0	110.4	S137 G139 Y140 T141	S137-L488 VanDerWaalsContact CB-CB 3.47Å; S137-L488 PolarHBondContact OG-N 3.15Å; G139-L488 WeakPolarHBondContact O-CD2 3.39Å; Y140-L488 WeakPolarHBondContact O-CD1 3.48Å; Y140-L488 VanDerWaalsContact O-CD2 3.3Å; Y140-L488 WeakPolarHBondContact O-CD2 3.21Å; Y140-L488 VanDerWaalsContact O-CG 3.24Å; Y140-L488 WeakPolarHBondContact O-CG 3.45Å; T141-L488 HydrophobicContact CG2-CD1 3.78Å; T141-L488 HydrophobicContact CG2-CG 4.34Å
489	D	26.9	Very low	26	Very low	97 Å²	97	119.5 Å²	119.5	52%	0.519	72%	0.718	S	S	.	*			trans	82.9	142.7	169.5	-54.7	-70.5	0	0	0	115.1	S137	S137-D489 PolarHBondContact OG-OD2 3.27Å; S137-D489 VanDerWaalsContact OG-OD2 3.05Å
490	S	29.1	Very low	26	Very low	115 Å²	115	119.2 Å²	119.2	80%	0.804	72%	0.721	S	S	*	*			cis	-145.4	-168.7	9.2	-149.1	0	0	0	0	114.7
491	L	26	Very low	26.1	Very low	102 Å²	102	119.5 Å²	119.5	53%	0.534	72%	0.722	S	S	.	*			trans	-119.5	164.4	-157.7	-82.1	159.2	0	0	0	116.5	Y140	Y140-L491 HydrophobicContact CD1-CD2 4.14Å; Y140-L491 HydrophobicContact CD2-CD1 3.8Å; Y140-L491 HydrophobicContact CD2-CD2 4.07Å; Y140-L491 HydrophobicContact CD2-CG 4.41Å; Y140-L491 HydrophobicContact CE2-CD1 4.31Å; Y140-L491 HydrophobicContact CG-CD1 4.32Å; Y140-L491 HydrophobicContact CG-CD2 3.85Å; Y140-L491 HydrophobicContact CG-CG 4.45Å
492	S	27.4	Very low	26	Very low	125 Å²	125	113 Å²	113	87%	0.874	71%	0.712	S	S	*	*			trans	75.9	153.2	153.8	76.9	0	0	0	0	119.9
493	G	27.3	Very low	26.1	Very low	73 Å²	73	115.8 Å²	115.8	75%	0.753	72%	0.716	S	S	*	*			cis	168.5	148.4	-13.6	0	0	0	0	0	117.4
494	S	27.7	Very low	26.1	Very low	114 Å²	114	111.8 Å²	111.8	80%	0.797	71%	0.706	S	S	*	*			trans	75.6	123	156.4	-155.1	0	0	0	0	123.3
495	S	27.7	Very low	26.2	Very low	116 Å²	116	107.8 Å²	107.8	81%	0.811	69%	0.691	S	S	*	*			trans	53.6	137.9	141.1	57.8	0	0	0	0	121.3
496	G	24.9	Very low	26.4	Very low	76 Å²	76	108.3 Å²	108.3	78%	0.784	70%	0.697	S	S	*	*			cis	146	163.6	8.5	0	0	0	0	0	109.3
497	C	25.3	Very low	26.4	Very low	121 Å²	121	108.8 Å²	108.8	82%	0.818	71%	0.705	S	S	*	*			cis	-164.2	-145.4	-4.3	63.2	0	0	0	0	109.8
498	M	26.4	Very low	26.7	Very low	181 Å²	181	110.9 Å²	110.9	89%	0.892	71%	0.706	S	S	*	*			trans	72.9	152.4	-175.7	-54.2	-172	76.1	0	0	116.6
499	A	24.7	Very low	26.7	Very low	75 Å²	75	113 Å²	113	62%	0.62	73%	0.725	S	S	*	*			cis	-168.8	165	-30.7	0	0	0	0	0	111.2
500	D	26.2	Very low	26.7	Very low	127 Å²	127	115.2 Å²	115.2	68%	0.679	74%	0.737	S	S	*	*			trans	65.1	155.7	173.3	-70.1	-21.6	0	0	0	117
501	R	27.1	Very low	26.5	Very low	207 Å²	207	118.3 Å²	118.3	78%	0.781	74%	0.738	S	S	*	*			cis	174.9	161.6	-13.8	-96.5	176.2	-145.9	-167.3	17.7	104.7
502	S	23	Very low	27.1	Very low	96 Å²	96	118.7 Å²	118.7	67%	0.671	75%	0.747	S	S	*	*			cis	-176.6	142.4	-18.8	54.4	0	0	0	0	112.4
503	M	24	Very low	27.1	Very low	161 Å²	161	119.2 Å²	119.2	79%	0.793	74%	0.74	S	S	*	*			trans	77.6	112	145.6	-59.4	-97.3	69.7	0	0	124.4
504	S	23.3	Very low	27.2	Very low	96 Å²	96	121 Å²	121	67%	0.671	74%	0.741	S	S	*	*				75.8	150.3	125.1	65.9	0	0	0	0	125.1
505	S	28.1	Very low	27.6	Very low	71 Å²	71	121 Å²	121	50%	0.497	74%	0.739	S	S	.	*			trans	-82.6	169.5	-179.5	-30.9	0	0	0	0	115	L1633	S505-L1633 WeakPolarHBondContact OG-CD1 3.46Å
506	P	29.3	Very low	27.5	Very low	131 Å²	131	121.6 Å²	121.6	85%	0.851	74%	0.737	S	S	*	*				-155	-164.8	94	41.8	-22	0	0	0	116.6
507	A	25.8	Very low	27.5	Very low	87 Å²	87	126.7 Å²	126.7	72%	0.719	74%	0.738	S	S	*	*			trans	-129.1	-154.3	173.3	0	0	0	0	0	109.3
508	P	35	Very low	27.5	Very low	113 Å²	113	125.2 Å²	125.2	73%	0.734	73%	0.729	S	S	*	*			cis	-143.7	180	-14.3	39	-17.2	0	0	0	118
509	S	25.7	Very low	27.3	Very low	90 Å²	90	122.9 Å²	122.9	63%	0.629	73%	0.725	S	S	*	*			trans	63.6	130.9	136.3	66	0	0	0	0	127
510	N	27.4	Very low	27.4	Very low	142 Å²	142	124 Å²	124	76%	0.759	74%	0.735	S	S	*	*				152.1	117.8	125	-75.8	-16.9	0	0	0	111.6
511	E	24.7	Very low	27.4	Very low	180 Å²	180	122.8 Å²	122.8	84%	0.841	74%	0.736	S	S	*	*				78.4	151	71.4	-81.1	-150.4	169.1	0	0	116
512	P	38.6	Very low	27.5	Very low	111 Å²	111	120.7 Å²	120.7	72%	0.721	74%	0.739	S	S	*	*			cis	-116.8	-164.1	-9.3	39.6	-20.9	0	0	0	111.7
513	D	27.8	Very low	27.8	Very low	135 Å²	135	119.8 Å²	119.8	72%	0.722	74%	0.738	S	S	*	*			cis	-171.5	137.2	48.4	-155.6	-10.4	0	0	0	115.2
514	S	28.7	Very low	28	Very low	110 Å²	110	120.3 Å²	120.3	77%	0.769	74%	0.738	S	S	*	*			trans	54.3	158.3	151.1	-67.1	0	0	0	0	125.3
515	P	35.7	Very low	28.3	Very low	116 Å²	116	119.5 Å²	119.5	75%	0.753	73%	0.732	S	S	*	*			trans	-125.9	170.9	-161.1	42.3	-28	0	0	0	117.3
516	V	25.6	Very low	28.3	Very low	127 Å²	127	122.6 Å²	122.6	77%	0.77	74%	0.743	S	S	*	*			trans	165.8	125.4	138.4	149.2	0	0	0	0	115.5
517	F	26.1	Very low	28.3	Very low	184 Å²	184	122.9 Å²	122.9	81%	0.807	74%	0.736	S	S	*	*			trans	62	111	150.8	-80.7	-122.8	0	0	0	125.3
518	S	23.6	Very low	28.8	Very low	90 Å²	90	122.6 Å²	122.6	63%	0.629	73%	0.727	S	S	*	*				76	121.2	113.8	-57.5	0	0	0	0	125.8
519	T	23.8	Very low	28.4	Very low	132 Å²	132	126.4 Å²	126.4	81%	0.81	73%	0.728	S	S	*	*			trans	77.1	103.4	137.4	51.6	0	0	0	0	123.7
520	A	25.7	Very low	28.5	Very low	99 Å²	99	130.8 Å²	130.8	82%	0.818	74%	0.736	S	S	*	*				58.9	136.6	126	0	0	0	0	0	122.9
521	S	26.3	Very low	28.4	Very low	101 Å²	101	131.6 Å²	131.6	71%	0.706	74%	0.739	S	S	*	*				179.1	159.6	96.2	-158.8	0	0	0	0	114.1
522	L	29.2	Very low	28.4	Very low	163 Å²	163	128 Å²	128	85%	0.853	74%	0.735	S	S	*	*			trans	57.2	126.3	164.8	-63	140.9	0	0	0	117.8
523	A	29.8	Very low	28.1	Very low	77 Å²	77	128.8 Å²	128.8	64%	0.636	74%	0.74	S	S	*	*			cis	-162.5	-158.8	-8.6	0	0	0	0	0	106.6
524	H	28.5	Very low	28	Very low	171 Å²	171	132.3 Å²	132.3	79%	0.792	75%	0.748	S	S	*	*			cis	-162.1	154.5	0.6	-116.9	-67.3	0	0	0	105
525	S	28.3	Very low	27.9	Very low	79 Å²	79	134.4 Å²	134.4	55%	0.552	75%	0.751	S	S	*	*			cis	-175.6	153.6	-34	53.6	0	0	0	0	108.7
526	D	27.8	Very low	27.5	Very low	136 Å²	136	133.8 Å²	133.8	73%	0.727	75%	0.749	S	S	*	*			trans	66.2	164.6	154.4	-77.5	48.8	0	0	0	120.1
527	I	30.4	Very low	27.5	Very low	137 Å²	137	133.7 Å²	133.7	70%	0.703	75%	0.749	S	S	*	*			cis	-170.2	148.3	-44.2	-130.3	153.1	0	0	0	108.6
528	P	35.5	Very low	27.6	Very low	82 Å²	82	131.3 Å²	131.3	53%	0.532	75%	0.749	S	S	.	*			cis	-146.4	-153.1	-38.9	40.4	-17.8	0	0	0	113.4
529	Y	28.4	Very low	27.6	Very low	193 Å²	193	131 Å²	131	76%	0.757	75%	0.752	S	S	*	*			trans	86.7	136.4	163.5	-58	-51.6	0	0	0	118.2
530	F	27.6	Very low	27.7	Very low	181 Å²	181	135 Å²	135	79%	0.794	75%	0.754	S	S	*	*			cis	-144.1	140.8	-5.4	-134.5	-62.3	0	0	0	110.4
531	L	23.6	Very low	27.8	Very low	159 Å²	159	138.3 Å²	138.3	83%	0.832	75%	0.752	S	S	*	*			trans	-107.7	149.3	179.9	-91.3	165.5	0	0	0	113.1
532	S	26.4	Very low	28	Very low	106 Å²	106	138.1 Å²	138.1	74%	0.741	75%	0.749	S	S	*	*			trans	-85	158.4	160.2	57.4	0	0	0	0	111.6
533	P	30.5	Very low	28.4	Very low	127 Å²	127	136.1 Å²	136.1	83%	0.825	75%	0.745	S	S	*	*			trans	-138	170.1	145.4	36.3	-22.1	0	0	0	114.8
534	K	26	Very low	28.3	Very low	208 Å²	208	136.2 Å²	136.2	90%	0.904	73%	0.733	S	S	*	*			trans	-107.2	168.2	177.1	-65	177.3	179.6	175.7	0	111.7
535	N	27.6	Very low	28.4	Very low	154 Å²	154	132.7 Å²	132.7	82%	0.824	72%	0.719	S	S	*	*			trans	-49.4	153.9	158.6	-69.2	-23.8	0	0	0	112.4
536	S	26.1	Very low	28.5	Very low	103 Å²	103	134.3 Å²	134.3	72%	0.72	73%	0.726	S	S	*	*			cis	-176.4	176.6	-3.9	44.9	0	0	0	0	111.5
537	V	27.1	Very low	28.7	Very low	125 Å²	125	137.9 Å²	137.9	76%	0.758	73%	0.729	S	S	*	*			trans	96.2	99.9	158.9	-173.4	0	0	0	0	119.7
538	V	26.9	Very low	28.6	Very low	134 Å²	134	135.1 Å²	135.1	81%	0.812	72%	0.722	S	S	*	*			trans	63.7	127.1	136.9	179.5	0	0	0	0	122.5
539	A	24.8	Very low	28.4	Very low	84 Å²	84	136.2 Å²	136.2	69%	0.694	73%	0.731	S	S	*	*			trans	68.7	141	157.4	0	0	0	0	0	118.9
540	Y	25.8	Very low	28.5	Very low	217 Å²	217	133.4 Å²	133.4	85%	0.851	73%	0.73	S	S	*	*			cis	-152.5	169.9	-13.3	-132.5	-83.4	0	0	0	109.3
541	E	26.6	Very low	28.5	Very low	167 Å²	167	132.4 Å²	132.4	78%	0.78	73%	0.731	S	S	*	*			trans	-56.3	168.1	169.2	-81.3	-172.4	137.4	0	0	113.8
542	P	31.8	Very low	28.7	Very low	98 Å²	98	130 Å²	130	64%	0.636	73%	0.728	S	S	*	*			cis	-133.7	-149.3	33.4	39.7	-16	0	0	0	111.6	Q544	P542-Q544 HydrophobicContact CB-CG 4.42Å
543	P	36.4	Very low	28.8	Very low	120 Å²	120	127.9 Å²	127.9	78%	0.779	72%	0.723	S	S	*	*			cis	-137.1	-151.8	-1.2	42.2	-21	0	0	0	115.6
544	Q	29.3	Very low	28.6	Very low	79 Å²	79	130.5 Å²	130.5	37%	0.369	72%	0.724	S	S	.	*				-155.8	-178	-80.4	-78.2	-148.1	-32.3	0	0	109.3	P542 F1490 I1491 H1492	P542-Q544 HydrophobicContact CB-CG 4.42Å; Q544-F1490 HydrophobicContact CB-CE1 4.01Å; Q544-F1490 HydrophobicContact CB-CZ 4.26Å; Q544-F1490 HydrophobicContact CG-CE1 4Å; Q544-I1491 VanDerWaalsContact OE1-CD1 3.23Å; Q544-H1492 PolarHBondContact NE2-NE2 3.39Å; Q544-H1492 PolarHBondContact OE1-NE2 3Å
545	L	28.7	Very low	28.7	Very low	98 Å²	98	126.2 Å²	126.2	51%	0.513	71%	0.711	S	S	.	*			trans	68	179.3	178.7	-42.6	-177	0	0	0	114	F1490 I1491	L545-F1490 VanDerWaalsContact C-CE2 3.49Å; L545-F1490 WeakPolarHBondContact O-CE2 3.49Å; L545-I1491 HydrophobicContact CD2-CD1 3.98Å
546	T	30.8	Very low	28.6	Very low	112 Å²	112	123.1 Å²	123.1	69%	0.687	70%	0.701	S	S	*	*			cis	-156.9	156.4	8.7	13	0	0	0	0	107
547	R	32.1	Very low	28.6	Very low	212 Å²	212	127.2 Å²	127.2	80%	0.8	71%	0.706	S	S	*	*			cis	-171.3	138.3	-11.7	-174.1	-149.4	152.2	122.5	2.6	109.9
548	S	28.8	Very low	28.6	Very low	79 Å²	79	128.2 Å²	128.2	55%	0.552	71%	0.713	S	S	*	*			trans	62.5	155.2	156.6	45.9	0	0	0	0	119.2
549	S	30.8	Very low	28.6	Very low	104 Å²	104	125.6 Å²	125.6	73%	0.727	71%	0.713	S	S	*	*			cis	-160.5	171.8	10.6	27.2	0	0	0	0	109.9
550	D	30.3	Very low	28.7	Very low	135 Å²	135	130.3 Å²	130.3	72%	0.722	72%	0.723	S	S	*	*			cis	178.6	164.5	-30.1	-81.6	-34.8	0	0	0	104.9
551	L	28.9	Very low	29.1	Very low	159 Å²	159	124.9 Å²	124.9	83%	0.832	71%	0.714	S	S	*	*			cis	-133.3	-120.5	1.1	-140.3	171.8	0	0	0	106.7
552	S	27.5	Very low	28.9	Very low	109 Å²	109	122.3 Å²	122.3	76%	0.762	71%	0.713	S	S	*	*			cis	-168.7	155.8	-23.6	30.2	0	0	0	0	106.9
553	G	28	Very low	28.6	Very low	61 Å²	61	123.6 Å²	123.6	63%	0.629	72%	0.719	S	S	*	*			cis	169.8	165.9	-6.7	0	0	0	0	0	111.7
554	E	26.8	Very low	28.1	Very low	182 Å²	182	125 Å²	125	85%	0.85	72%	0.715	S	S	*	*			trans	67.4	153.7	163.4	-56.4	-144.7	137.5	0	0	119
555	N	27.6	Very low	27.8	Very low	118 Å²	118	129 Å²	129	63%	0.631	73%	0.734	S	S	*	*			cis	-150.5	161.4	-6.1	-134.4	-42.4	0	0	0	114.5
556	S	26.7	Very low	27.5	Very low	89 Å²	89	128.6 Å²	128.6	62%	0.622	74%	0.74	S	S	*	*			trans	57.7	117.8	147.6	70.1	0	0	0	0	125
557	K	25.9	Very low	27.4	Very low	189 Å²	189	130.8 Å²	130.8	82%	0.822	75%	0.745	S	S	*	*				72.7	144.5	120.4	-69.1	-179.8	178	175.5	0	124.1
558	T	25.8	Very low	27.2	Very low	147 Å²	147	125.3 Å²	125.3	90%	0.902	74%	0.74	S	S	*	*			trans	68.1	134.7	148.3	43.5	0	0	0	0	121.3
559	G	26.7	Very low	27	Very low	78 Å²	78	130.6 Å²	130.6	80%	0.804	75%	0.753	S	S	*	*			trans	141.9	91.6	154.8	0	0	0	0	0	117.8
560	M	26.7	Very low	27	Very low	184 Å²	184	130.1 Å²	130.1	91%	0.906	75%	0.747	S	S	*	*			trans	-108.3	168.7	140.8	-60.9	-143	87.8	0	0	107.4
561	P	34.3	Very low	26.7	Very low	103 Å²	103	131.4 Å²	131.4	67%	0.669	75%	0.749	S	S	*	*			cis	-133.1	-179	-1.6	42.6	-26.9	0	0	0	114.6
562	C	23.4	Very low	26.8	Very low	113 Å²	113	129 Å²	129	76%	0.764	74%	0.737	S	S	*	*			trans	55.5	168.9	143	-71.4	0	0	0	0	123.6
563	T	24.6	Very low	26.9	Very low	124 Å²	124	131.1 Å²	131.1	76%	0.761	73%	0.732	S	S	*	*			trans	89.5	121	161.7	66.6	0	0	0	0	120.3
564	H	25.7	Very low	27	Very low	150 Å²	150	134.7 Å²	134.7	69%	0.694	74%	0.742	S	S	*	*			trans	62.3	129.2	146.9	-75	-96.4	0	0	0	118.5
565	Q	23.8	Very low	27	Very low	162 Å²	162	132.2 Å²	132.2	76%	0.757	74%	0.74	S	S	*	*				49.2	133.9	77.3	-68.9	-176.2	-4.6	0	0	112
566	S	22.7	Very low	27.4	Very low	91 Å²	91	131.4 Å²	131.4	64%	0.636	74%	0.74	S	S	*	*			cis	-171	-150	1.9	49.3	0	0	0	0	106.2
567	I	27.3	Very low	27.3	Very low	158 Å²	158	135.3 Å²	135.3	81%	0.81	75%	0.749	S	S	*	*			trans	68.6	128.7	169.6	-53.7	155.6	0	0	0	113.1
568	S	28.6	Very low	27.3	Very low	97 Å²	97	131.8 Å²	131.8	68%	0.678	74%	0.738	S	S	*	*			cis	-157.7	156.7	-20	51.4	0	0	0	0	106
569	K	24.3	Very low	27.3	Very low	190 Å²	190	134 Å²	134	83%	0.826	74%	0.735	S	S	*	*				28.2	143.8	84.2	-69.1	-178	-179.4	177.8	0	114.4
570	P	31.6	Very low	27.6	Very low	94 Å²	94	139.7 Å²	139.7	61%	0.61	74%	0.738	S	S	*	*			cis	-135.4	178.4	20.1	43.6	-27.4	0	0	0	114.7
571	Q	24.4	Very low	27.7	Very low	162 Å²	162	136 Å²	136	76%	0.757	73%	0.728	S	S	*	*			trans	60	147.6	140.6	-72.3	153.7	-12.1	0	0	120
572	D	30.5	Very low	27.2	Very low	108 Å²	108	139.5 Å²	139.5	58%	0.578	74%	0.736	S	S	*	*			cis	-143.2	175.1	13.6	-138.5	-4.4	0	0	0	116.3
573	K	29.8	Very low	27.2	Very low	153 Å²	153	138.6 Å²	138.6	67%	0.665	74%	0.736	S	S	*	*			trans	-42.5	152.3	178	-43.5	117.9	-168.3	148.8	0	112.9
574	T	30.4	Very low	27.1	Very low	137 Å²	137	139.4 Å²	139.4	84%	0.84	74%	0.736	S	S	*	*				-157.1	156.5	51.7	39.5	0	0	0	0	116.5
575	T	26.5	Very low	27	Very low	130 Å²	130	136.1 Å²	136.1	80%	0.798	73%	0.729	S	S	*	*			trans	-87	-174.1	165.9	8.1	0	0	0	0	111.6
576	P	35.4	Very low	27.1	Very low	100 Å²	100	137.4 Å²	137.4	65%	0.649	73%	0.732	S	S	*	*			cis	-140.5	172	-19.4	36.8	-18.3	0	0	0	116.4
577	Q	25.3	Very low	27.2	Very low	172 Å²	172	136.4 Å²	136.4	80%	0.804	73%	0.729	S	S	*	*			trans	64.2	174.7	156.8	-52.2	-121.7	51	0	0	116.2
578	L	25.2	Very low	27.3	Very low	114 Å²	114	138.7 Å²	138.7	60%	0.597	73%	0.733	S	S	*	*			cis	-154.4	136	-5.5	-138.9	157.7	0	0	0	109.8
579	K	25.7	Very low	27.4	Very low	193 Å²	193	137.5 Å²	137.5	84%	0.839	73%	0.73	S	S	*	*			trans	62	159.8	167.6	-82.6	162.3	-169.2	170.1	0	118.8
580	K	33.8	Very low	27.4	Very low	198 Å²	198	133 Å²	133	86%	0.861	72%	0.722	S	S	*	*			trans	-64.1	152.3	157.2	-74.4	178.3	180	176	0	109.2
581	P	28.7	Very low	27.4	Very low	107 Å²	107	137.1 Å²	137.1	70%	0.695	73%	0.731	S	S	*	*			cis	-150.7	-171.1	45.5	43.6	-23.1	0	0	0	117.2
582	Q	22.4	Very low	27.4	Very low	177 Å²	177	135.7 Å²	135.7	83%	0.827	73%	0.728	S	S	*	*			trans	37.5	113.8	146.5	-75.6	174.8	-55.2	0	0	120.6
583	A	23.4	Very low	27.3	Very low	94 Å²	94	136.6 Å²	136.6	78%	0.777	73%	0.731	S	S	*	*			trans	66.9	-178.3	136.4	0	0	0	0	0	114.5
584	N	23.5	Very low	27	Very low	140 Å²	140	135.7 Å²	135.7	75%	0.749	73%	0.734	S	S	*	*			cis	-153.2	170.8	-0.6	-153.6	-21.6	0	0	0	108.8
585	C	24.4	Very low	26.8	Very low	81 Å²	81	134.7 Å²	134.7	55%	0.547	73%	0.728	S	S	.	*			trans	65.5	172	155.5	-70.2	0	0	0	0	114.9
586	K	24.5	Very low	27	Very low	190 Å²	190	136.4 Å²	136.4	83%	0.826	73%	0.73	S	S	*	*			cis	-160.3	160.1	-17.5	-111.2	161.3	-167.3	157.4	0	104.5
587	A	25.4	Very low	26.8	Very low	70 Å²	70	136.3 Å²	136.3	58%	0.579	73%	0.73	S	S	*	*			cis	-149.8	-165.1	0.8	0	0	0	0	0	106
588	F	28.6	Very low	26.9	Very low	205 Å²	205	135.6 Å²	135.6	90%	0.899	73%	0.731	S	S	*	*			cis	-146.7	153.5	10.5	-89.7	-76.4	0	0	0	106.2
589	A	30.8	Very low	26.9	Very low	73 Å²	73	138.3 Å²	138.3	60%	0.603	74%	0.74	S	S	*	*			cis	-157.7	177.7	-4.6	0	0	0	0	0	110.6
590	S	25.5	Very low	27.1	Very low	96 Å²	96	131.6 Å²	131.6	67%	0.671	73%	0.726	S	S	*	*			trans	22.4	145.3	137	64.9	0	0	0	0	121.4
591	K	30.9	Very low	26.8	Very low	180 Å²	180	127.8 Å²	127.8	78%	0.783	73%	0.725	S	S	*	*			cis	-167.6	142.6	17	-124.4	160.5	-171.1	175.4	0	111.2
592	N	25.2	Very low	26.6	Very low	132 Å²	132	127.9 Å²	127.9	71%	0.706	73%	0.726	S	S	*	*				45.4	145.7	127.3	-71.8	30	0	0	0	124.9
593	I	27.5	Very low	26.6	Very low	126 Å²	126	126.6 Å²	126.6	65%	0.646	73%	0.725	S	S	*	*			trans	87.5	107.3	138.7	-74.9	161	0	0	0	118.6
594	D	24.3	Very low	26.6	Very low	134 Å²	134	126.3 Å²	126.3	72%	0.717	72%	0.723	S	S	*	*				40.5	140.8	123.1	-33.7	-32.7	0	0	0	119.1
595	T	26	Very low	26.6	Very low	117 Å²	117	124.2 Å²	124.2	72%	0.718	72%	0.719	S	S	*	*				-177	150.2	59.5	-52.1	0	0	0	0	110.5
596	I	29.6	Very low	26.6	Very low	165 Å²	165	127 Å²	127	85%	0.846	73%	0.728	S	S	*	*			trans	165.4	137.3	132.6	-85.4	158.8	0	0	0	111
597	P	32.8	Very low	26.6	Very low	98 Å²	98	125 Å²	125	64%	0.636	72%	0.72	S	S	*	*			trans	-131.5	163.4	-160.9	42.9	-26.3	0	0	0	117.8
598	L	26.5	Very low	26.6	Very low	157 Å²	157	124 Å²	124	82%	0.822	71%	0.705	S	S	*	*			trans	64.9	152.4	155.9	-63.6	157.5	0	0	0	117.6
599	Q	25.4	Very low	26.4	Very low	171 Å²	171	120.8 Å²	120.8	80%	0.799	69%	0.692	S	S	*	*			cis	-169	149.4	-16.5	169.6	174.4	-95	0	0	107.5
600	G	29.8	Very low	26.1	Very low	53 Å²	53	124.4 Å²	124.4	55%	0.546	69%	0.694	S	S	.	*			cis	130.4	131.2	-4.6	0	0	0	0	0	113.3
601	S	27.1	Very low	26.1	Very low	118 Å²	118	129.9 Å²	129.9	83%	0.825	70%	0.7	S	S	*	*			trans	79.4	159.5	-177.8	-38.6	0	0	0	0	114.1
602	C	24.6	Very low	25.7	Very low	108 Å²	108	125.4 Å²	125.4	73%	0.73	69%	0.692	S	S	*	*			cis	-177.6	163.3	-17.9	-100.9	0	0	0	0	107.4
603	D	22.8	Very low	25.8	Very low	150 Å²	150	125.5 Å²	125.5	80%	0.802	69%	0.686	S	S	*	*			cis	-169	179.5	-20.9	-151.3	-46.9	0	0	0	107.3
604	A	24.5	Very low	25.5	Very low	88 Å²	88	124.9 Å²	124.9	73%	0.727	68%	0.683	S	S	*	*			trans	71.1	137.1	170.5	0	0	0	0	0	119.3
605	S	23	Very low	25.6	Very low	97 Å²	97	121.6 Å²	121.6	68%	0.678	67%	0.669	S	S	*	*			cis	-159.7	143.2	-2.2	53	0	0	0	0	115.5
606	L	24	Very low	25.7	Very low	138 Å²	138	125.5 Å²	125.5	72%	0.723	67%	0.671	S	S	*	*			trans	55.7	124.1	149.6	-82.5	87.3	0	0	0	123
607	F	25.2	Very low	25.5	Very low	150 Å²	150	124.7 Å²	124.7	66%	0.658	67%	0.667	S	S	*	*			trans	59.4	123	135.7	-78.2	-114.4	0	0	0	119.3	C2359	F607-C2359 PolarHBondContact O-N 2.77Å
608	N	25.6	Very low	25.3	Very low	49 Å²	49	127.8 Å²	127.8	26%	0.262	67%	0.673	S	S	.	*			cis	-149.7	161.4	23.6	-87.7	-75.5	0	0	0	111.9	W2358 C2359	N608-W2358 HydrophobicContact CB-CB 3.96Å; N608-W2358 HydrophobicContact CB-CD2 3.3Å; N608-W2358 HydrophobicContact CB-CE3 3.76Å; N608-W2358 HydrophobicContact CB-CG 3.4Å; N608-W2358 VanDerWaalsContact CB-CG 3.4Å; N608-W2358 HydrophobicContact CB-CZ2 4.28Å; N608-W2358 HydrophobicContact CB-CZ3 4.42Å; N608-W2358 VanDerWaalsContact CG-CD1 3.45Å; N608-W2358 WeakPolarHBondContact ND2-CA 2.23Å; N608-W2358 PolarHBondContact ND2-N 2.69Å; N608-W2358 VanDerWaalsContact ND2-N 3.17Å; N608-W2358 PolarHBondContact ND2-NE1 3.11Å; N608-C2359 PolarHBondContact N-SG 2.73Å; N608-C2359 PolarHBondContact O-SG 2.9Å
609	E	23.9	Very low	25.4	Very low	136 Å²	136	124.2 Å²	124.2	64%	0.636	65%	0.654	S	S	*	*			trans	-149.2	167.9	132.7	-129.5	-158.5	157.2	0	0	112.9	W2358	E609-W2358 HydrophobicContact CG-CE3 4.47Å; E609-W2358 HydrophobicContact CG-CZ3 3.83Å
610	K	24.4	Very low	25.6	Very low	149 Å²	149	117.5 Å²	117.5	65%	0.648	63%	0.63	S	S	*	*			trans	-32.9	143.3	-178.1	-60.1	150.2	-175.1	150	0	115.9	W2358	K610-W2358 HydrophobicContact CB-CH2 4.47Å; K610-W2358 HydrophobicContact CG-CH2 3.88Å; K610-W2358 HydrophobicContact CG-CZ3 4.2Å
611	R	25.3	Very low	25.7	Very low	211 Å²	211	120.2 Å²	120.2	80%	0.796	62%	0.624	S	S	*	*			trans	-154.8	97	160.1	-114	166	-170.1	-162.9	2	114.1	F613	R611-F613 HydrophobicContact CB-CD2 4.33Å; R611-F613 HydrophobicContact CG-CD2 3.91Å; R611-F613 HydrophobicContact CG-CE2 4.07Å
612	S	21.9	Very low	26	Very low	86 Å²	86	120.9 Å²	120.9	60%	0.601	61%	0.612	S	S	*	*			trans	-58.3	151.1	144.3	52.2	0	0	0	0	110
613	F	27.1	Very low	26.2	Very low	135 Å²	135	122.5 Å²	122.5	59%	0.592	61%	0.609	S	S	*	*			trans	-151	54.6	-176.1	-129.2	-66.9	0	0	0	117.4	R611 P615 E1308	R611-F613 HydrophobicContact CB-CD2 4.33Å; R611-F613 HydrophobicContact CG-CD2 3.91Å; R611-F613 HydrophobicContact CG-CE2 4.07Å; F613-P615 VanDerWaalsContact O-CD 3.28Å; F613-P615 WeakPolarHBondContact O-CD 3.06Å; F613-P615 VanDerWaalsContact O-N 3.11Å; F613-E1308 VanDerWaalsContact CA-OE1 3.32Å; F613-E1308 WeakPolarHBondContact CA-OE1 3.4Å; F613-E1308 PolarHBondContact N-OE1 3.03Å
614	I	22.2	Very low	26.6	Very low	113 Å²	113	121.5 Å²	121.5	58%	0.579	61%	0.608	S	S	*	*			trans	-38.8	112.9	172.1	-54.8	169.4	0	0	0	111.9	R616 E1308	I614-R616 PolarHBondContact O-N 3.16Å; I614-E1308 VanDerWaalsContact CA-OE2 3.26Å; I614-E1308 WeakPolarHBondContact CA-OE2 3.44Å; I614-E1308 HydrophobicContact CG1-CB 4.11Å; I614-E1308 HydrophobicContact CG1-CG 3.81Å; I614-E1308 PolarHBondContact N-OE1 2.69Å; I614-E1308 VanDerWaalsContact N-OE1 3.1Å; I614-E1308 PolarHBondContact N-OE2 2.86Å
615	P	27.1	Very low	26.7	Very low	65 Å²	65	124 Å²	124	42%	0.422	61%	0.609	S	S	.	*			trans	-101.1	54.8	-171.1	39.4	-37.4	0	0	0	113.8	F613 L617 E1308 W1311	F613-P615 VanDerWaalsContact O-CD 3.28Å; F613-P615 WeakPolarHBondContact O-CD 3.06Å; F613-P615 VanDerWaalsContact O-N 3.11Å; P615-L617 PolarHBondContact O-N 2.92Å; P615-E1308 VanDerWaalsContact CD-OE2 3.29Å; P615-E1308 WeakPolarHBondContact CD-OE2 3.17Å; P615-W1311 HydrophobicContact CG-CZ2 4.18Å; P615-W1311 VanDerWaalsContact CG-NE1 3.26Å
616	R	27.3	Very low	27	Very low	199 Å²	199	122.8 Å²	122.8	75%	0.751	60%	0.595	S	S	*	*			trans	-67	130	171.7	-94.8	-159.4	163.1	164.5	6.1	112.4	I614 E1310	I614-R616 PolarHBondContact O-N 3.16Å; R616-E1310 WeakPolarHBondContact CG-OE1 3.34Å; R616-E1310 WeakPolarHBondContact CG-OE2 3.49Å; R616-E1310 IonicContact CZ-OE1 3.22Å; R616-E1310 IonicContact NE-OE1 3.12Å; R616-E1310 PolarHBondContact NE-OE1 3.32Å; R616-E1310 IonicContact NE-OE2 3.13Å; R616-E1310 IonicContact NH2-OE1 3.9Å; R616-E1310 PolarHBondContact NH2-OE1 3.09Å
617	L	24.9	Very low	27	Very low	148 Å²	148	125.9 Å²	125.9	78%	0.775	60%	0.597	S	S	*	*			trans	-69	137.2	-179.9	-66.2	157	0	0	0	111.9	P615	P615-L617 PolarHBondContact O-N 2.92Å
618	H	28.2	Very low	27.2	Very low	163 Å²	163	128.5 Å²	128.5	76%	0.755	60%	0.602	S	S	*	*				177.9	112	114.1	-95.1	71.6	0	0	0	113.8
619	L	28.7	Very low	27.3	Very low	81 Å²	81	134.4 Å²	134.4	42%	0.424	62%	0.621	S	S	.	*			trans	37.6	102.3	143.3	-70	69.6	0	0	0	122.9	R1477 S1478	L619-R1477 HydrophobicContact CB-CB 3.84Å; L619-R1477 HydrophobicContact CB-CG 4.41Å; L619-R1477 HydrophobicContact CG-CB 4.21Å; L619-S1478 VanDerWaalsContact CB-OG 3.23Å; L619-S1478 WeakPolarHBondContact CB-OG 3.41Å; L619-S1478 CarbonylContact O-C 3.44Å; L619-S1478 PolarHBondContact O-N 2.86Å; L619-S1478 PolarHBondContact O-OG 2.92Å
620	G	29.5	Very low	27.2	Very low	30 Å²	30	136.5 Å²	136.5	31%	0.309	62%	0.623	S	S	.	*	B	Isolated β-bridge	trans	-153.9	137.2	136.3	0	0	0	0	0	121.9	R1477 S1478	G620-R1477 VanDerWaalsContact CA-CB 3.41Å; G620-R1477 VanDerWaalsContact N-CD 3.27Å; G620-R1477 WeakPolarHBondContact O-CD 3.25Å; G620-R1477 PolarHBondContact O-NH1 3.41Å; G620-S1478 WeakPolarHBondContact CA-O 3.1Å
621	R	32.1	Very low	27.2	Very low	110 Å²	110	134.2 Å²	134.2	42%	0.415	63%	0.626	S	S	.	*			trans	-128.8	-177.9	-158.2	-113.4	-177.1	-154.4	-70.1	-1.2	115.4	H623 S1476 R1477	R621-H623 PolarHBondContact NH1-CD2 3.23Å; R621-H623 VanDerWaalsContact NH1-CD2 3.33Å; R621-H623 PolarHBondContact NH1-NE2 3.06Å; R621-S1476 VanDerWaalsContact CD-C 3.4Å; R621-S1476 WeakPolarHBondContact CD-O 3.41Å; R621-S1476 PolarHBondContact NE-O 3.4Å; R621-R1477 HydrophobicContact CB-CB 3.67Å; R621-R1477 HydrophobicContact CB-CG 4.11Å; R621-R1477 HydrophobicContact CG-CB 3.78Å; R621-R1477 HydrophobicContact CG-CG 3.63Å
622	K	33.4	Very low	27.1	Very low	132 Å²	132	131.7 Å²	131.7	57%	0.574	63%	0.627	S	S	*	*			cis	-141.1	146.6	2.1	-158.9	161.3	-176.5	168.8	0	111.2	S1474 K1475	K622-S1474 PolarHBondContact NZ-O 2.97Å; K622-K1475 PolarHBondContact NZ-O 3.49Å
623	H	30	Very low	27.2	Very low	143 Å²	143	131.6 Å²	131.6	66%	0.662	63%	0.632	S	S	*	*			trans	-11.3	142.3	169.5	-62	-101.4	0	0	0	118.5	R621	R621-H623 PolarHBondContact NH1-CD2 3.23Å; R621-H623 VanDerWaalsContact NH1-CD2 3.33Å; R621-H623 PolarHBondContact NH1-NE2 3.06Å
624	T	29.7	Very low	27	Very low	128 Å²	128	130.1 Å²	130.1	79%	0.785	64%	0.638	S	S	*	*				-141.4	170.4	54.1	45.3	0	0	0	0	113.4
625	L	27.9	Very low	27.1	Very low	140 Å²	140	131.4 Å²	131.4	73%	0.733	65%	0.645	S	S	*	*			cis	-148.3	170.9	-8.3	-122.5	167.5	0	0	0	110.5
626	D	27.9	Very low	27	Very low	72 Å²	72	130.9 Å²	130.9	39%	0.385	64%	0.642	S	S	.	*			trans	-41.3	141.6	-170.3	-81.5	-72.2	0	0	0	121.9	S2130 N2131	D626-S2130 WeakPolarHBondContact CB-OG 3.44Å; D626-N2131 PolarHBondContact OD1-ND2 3.22Å; D626-N2131 VanDerWaalsContact OD1-ND2 3.12Å; D626-N2131 WeakPolarHBondContact OD2-CB 3.27Å; D626-N2131 PolarHBondContact OD2-ND2 2.68Å
627	R	25.4	Very low	27	Very low	203 Å²	203	125.2 Å²	125.2	77%	0.766	63%	0.633	S	S	*	*				-156.4	83.2	119.1	-102.5	-154.6	167.4	176.6	-2.7	113.3	H2129	R627-H2129 HydrophobicContact CG-CB 3.96Å; R627-H2129 PolarHBondContact NE-O 3.35Å; R627-H2129 PolarHBondContact NH2-O 3.04Å
628	R	27.9	Very low	26.9	Very low	205 Å²	205	122.4 Å²	122.4	77%	0.774	63%	0.626	S	S	*	*			trans	-98.3	0	139.7	-106.1	-166.4	177.1	-159.6	-0.3	110.3	H2129 S2130	R628-H2129 VanDerWaalsContact C-CB 3.41Å; R628-H2129 WeakPolarHBondContact CA-CD2 3.49Å; R628-H2129 WeakPolarHBondContact CA-CE1 3.48Å; R628-H2129 WeakPolarHBondContact CA-NE2 3.11Å; R628-H2129 VanDerWaalsContact CB-CE1 3.49Å; R628-H2129 WeakPolarHBondContact CB-CE1 3.23Å; R628-H2129 WeakPolarHBondContact CB-NE2 3.23Å; R628-H2129 WeakPolarHBondContact CG-NE2 3.27Å; R628-H2129 WeakPolarHBondContact O-CB 3.47Å; R628-H2129 PolarHBondContact O-CD2 3.13Å; R628-H2129 PolarHBondContact O-CE1 2.93Å; R628-H2129 PolarHBondContact O-ND1 3.02Å; R628-H2129 PolarHBondContact O-NE2 3.31Å; R628-S2130 WeakPolarHBondContact O-CB 3.5Å
629	R	27.9	Very low	26.8	Very low	173 Å²	173	116 Å²	116	65%	0.653	60%	0.604	S	S	*	*				0	67.4	0	-72.3	-147.7	128.1	-133.5	-5.4	111.3	S631 S2127 H2129	R629-S631 PolarHBondContact O-N 2.69Å; R629-S2127 PolarHBondContact NE-O 2.91Å; R629-S2127 PolarHBondContact NH2-O 2.8Å; R629-H2129 WeakPolarHBondContact CA-CD2 3.43Å; R629-H2129 WeakPolarHBondContact CA-CE1 3.26Å; R629-H2129 WeakPolarHBondContact CA-NE2 3.23Å; R629-H2129 WeakPolarHBondContact CB-CD2 3.15Å; R629-H2129 WeakPolarHBondContact CB-NE2 3.44Å; R629-H2129 PolarHBondContact N-CD2 2.64Å; R629-H2129 PolarHBondContact N-CE1 3.34Å; R629-H2129 PolarHBondContact N-ND1 2.82Å; R629-H2129 PolarHBondContact N-NE2 2.95Å; R629-H2129 PolarHBondContact O-CE1 3.34Å; R629-H2129 VanDerWaalsContact O-CE1 3.3Å; R629-H2129 PolarHBondContact O-NE2 2.82Å
630	W	22.7	Very low	26.7	Very low	180 Å²	180	120 Å²	120	68%	0.682	62%	0.615	S	S	*	*			trans	-52.1	120.8	-176	-55.2	-37.9	0	0	0	111.6	C2128 H2129	W630-C2128 HydrophobicContact CD2-CB 4.14Å; W630-C2128 HydrophobicContact CE3-CB 4.15Å; W630-C2128 HydrophobicContact CG-CB 4.49Å; W630-H2129 AromaticContact CD1-ND1 3.66Å; W630-H2129 PolarHBondContact N-CE1 3.23Å
631	S	24.9	Very low	26.4	Very low	101 Å²	101	119.8 Å²	119.8	71%	0.706	61%	0.613	S	S	*	*			trans	-94.4	96.7	150.6	38.6	0	0	0	0	107.9	R629 A633	R629-S631 PolarHBondContact O-N 2.69Å; S631-A633 PolarHBondContact O-N 2.68Å
632	L	22.9	Very low	26	Very low	159 Å²	159	116 Å²	116	83%	0.832	60%	0.602	S	S	*	*			trans	-76.9	67.8	172.3	-89.5	164.2	0	0	0	109.9
633	A	23.2	Very low	25.7	Very low	84 Å²	84	112.9 Å²	112.9	69%	0.694	59%	0.592	S	S	*	*			trans	-148.7	65.8	179.7	0	0	0	0	0	110.3	S631	S631-A633 PolarHBondContact O-N 2.68Å
634	S	23	Very low	25.4	Very low	104 Å²	104	113.3 Å²	113.3	73%	0.727	61%	0.605	S	S	*	*			trans	-147.1	45.9	172.1	-51.1	0	0	0	0	110.4
635	L	23.8	Very low	25.1	Very low	139 Å²	139	111.3 Å²	111.3	73%	0.728	60%	0.596	S	S	*	*	S	Bend	trans	-85.1	159.1	161.2	-65.4	171.1	0	0	0	108.1	S637	L635-S637 PolarHBondContact O-N 3.26Å
636	P	25.2	Very low	24.9	Very low	54 Å²	54	114 Å²	114	35%	0.351	61%	0.605	S	S	.	*			trans	-55.4	138.6	162	26.5	-34.5	0	0	0	109.2	S638	P636-S638 PolarHBondContact O-N 2.82Å
637	S	27.4	Very low	24.7	Very low	81 Å²	81	116.5 Å²	116.5	57%	0.566	63%	0.628	S	S	*	*			trans	-69	98.8	-172.9	-167.2	0	0	0	0	110.7	L635 G639	L635-S637 PolarHBondContact O-N 3.26Å; S637-G639 PolarHBondContact O-N 3.13Å
638	S	24.2	Very low	24.7	Very low	88 Å²	88	110.2 Å²	110.2	62%	0.615	63%	0.626	S	S	*	*			trans	-76.7	75	174.5	49.3	0	0	0	0	109.8	P636 Y640	P636-S638 PolarHBondContact O-N 2.82Å; S638-Y640 PolarHBondContact O-N 2.74Å
639	G	25.1	Very low	24.6	Very low	30 Å²	30	106.1 Å²	106.1	31%	0.309	63%	0.629	S	S	.	*			trans	-52.7	92.7	-175.9	0	0	0	0	0	113.8	S637 G641	S637-G639 PolarHBondContact O-N 3.13Å; G639-G641 PolarHBondContact O-N 2.89Å
640	Y	26.5	Very low	24.5	Very low	163 Å²	163	106.1 Å²	106.1	64%	0.639	64%	0.636	S	S	*	*			trans	-83	61.2	177.8	-106.8	-80.5	0	0	0	111.6	S638 T642	S638-Y640 PolarHBondContact O-N 2.74Å; Y640-T642 PolarHBondContact O-N 3.33Å
641	G	22.8	Very low	24.7	Very low	27 Å²	27	104 Å²	104	28%	0.278	64%	0.638	S	S	.	*			trans	-70.3	111	158.5	0	0	0	0	0	109.5	G639	G639-G641 PolarHBondContact O-N 2.89Å
642	T	23.5	Very low	24.6	Very low	29 Å²	29	102.6 Å²	102.6	18%	0.178	63%	0.628	C	S	.	*	S	Bend	trans	69.3	103	178.1	73.6	0	0	0	0	116.9	Y640 Q1245 V1246 F1247	Y640-T642 PolarHBondContact O-N 3.33Å; T642-Q1245 HydrophobicContact CG2-CB 3.65Å; T642-Q1245 HydrophobicContact CG2-CG 4.02Å; T642-V1246 WeakPolarHBondContact CG2-O 3.48Å; T642-F1247 HydrophobicContact CG2-CD1 3.91Å; T642-F1247 HydrophobicContact CG2-CE1 3.67Å; T642-F1247 HydrophobicContact CG2-CZ 4.44Å
643	N	26.9	Very low	24.8	Very low	68 Å²	68	102.3 Å²	102.3	36%	0.364	62%	0.616	S	S	.	*				-177.8	99.8	114.5	-96.4	-60.3	0	0	0	111.6	S645	N643-S645 PolarHBondContact O-N 3.38Å; N643-S645 VanDerWaalsContact O-N 3.11Å
644	T	24.3	Very low	24.8	Very low	152 Å²	152	103.9 Å²	103.9	93%	0.933	62%	0.622	S	S	*	*			trans	-76.4	87.7	164.2	38.8	0	0	0	0	110.1
645	S	23.8	Very low	24.9	Very low	86 Å²	86	109.5 Å²	109.5	60%	0.601	63%	0.627	S	S	*	*			trans	-146.5	98.1	169.7	61.5	0	0	0	0	111.6	N643	N643-S645 PolarHBondContact O-N 3.38Å; N643-S645 VanDerWaalsContact O-N 3.11Å
646	E	24.7	Very low	24.9	Very low	196 Å²	196	109 Å²	109	92%	0.916	63%	0.634	S	S	*	*			trans	-57	145.1	169.6	-56.2	171.4	115.6	0	0	110.9
647	S	23.2	Very low	24.8	Very low	124 Å²	124	110 Å²	110	87%	0.867	64%	0.642	S	S	*	*			trans	-156.9	67.9	173.8	-82.8	0	0	0	0	112.7
648	G	25.4	Very low	24.6	Very low	72 Å²	72	109.9 Å²	109.9	74%	0.742	64%	0.641	S	S	*	*			trans	142.8	107.3	176.8	0	0	0	0	0	109.6
649	S	26.2	Very low	24.7	Very low	119 Å²	119	113.4 Å²	113.4	83%	0.832	64%	0.641	S	S	*	*			cis	-110.4	150.3	40.1	50.8	0	0	0	0	116.3
650	H	24.5	Very low	24.7	Very low	172 Å²	172	118.5 Å²	118.5	80%	0.796	66%	0.657	S	S	*	*			trans	-78.3	118.6	170.5	-88.8	-97.6	0	0	0	110.7
651	L	26.7	Very low	24.7	Very low	136 Å²	136	117.7 Å²	117.7	71%	0.712	66%	0.663	S	S	*	*			trans	154.9	132.1	151.1	-85.3	155.5	0	0	0	107.8
652	S	24.3	Very low	24.9	Very low	72 Å²	72	122.9 Å²	122.9	50%	0.503	69%	0.689	S	S	.	*			cis	-168.4	170	-7.3	66.5	0	0	0	0	111.2
653	R	26.5	Very low	25	Very low	153 Å²	153	126.1 Å²	126.1	58%	0.577	71%	0.713	S	S	*	*			trans	67.7	114.8	158.9	-68.9	178.3	172.9	143	6.3	119.2	R655 S2111	R653-R655 PolarHBondContact O-N 3.34Å; R653-R655 VanDerWaalsContact O-N 3.14Å; R653-S2111 PolarHBondContact NH1-OG 3.18Å; R653-S2111 VanDerWaalsContact NH2-CB 3.34Å; R653-S2111 PolarHBondContact NH2-OG 3.48Å
654	S	23.1	Very low	25.1	Very low	117 Å²	117	132.1 Å²	132.1	82%	0.818	74%	0.738	S	S	*	*			trans	-45.3	107.9	138.2	54	0	0	0	0	113.3
655	R	25.2	Very low	25.3	Very low	221 Å²	221	127.8 Å²	127.8	83%	0.834	72%	0.724	S	S	*	*			trans	-175.7	105.6	152.9	-99.3	176.7	-169.8	-171.2	1.9	104.4	R653	R653-R655 PolarHBondContact O-N 3.34Å; R653-R655 VanDerWaalsContact O-N 3.14Å
656	C	23.7	Very low	25.5	Very low	129 Å²	129	131.6 Å²	131.6	87%	0.872	74%	0.737	S	S	*	*			cis	49.3	69.1	30.7	-80.7	0	0	0	0	111.3
657	S	22.3	Very low	25.5	Very low	75 Å²	75	127.8 Å²	127.8	52%	0.524	72%	0.719	S	S	.	*			trans	-149.8	88.1	164.6	-179.5	0	0	0	0	108.4	R659 Y2548	S657-R659 PolarHBondContact O-N 2.93Å; S657-Y2548 PolarHBondContact N-OH 2.7Å; S657-Y2548 PolarHBondContact O-OH 2.74Å
658	S	24.8	Very low	26	Very low	78 Å²	78	124 Å²	124	55%	0.545	69%	0.691	S	S	.	*			trans	-69.6	93	177	53.8	0	0	0	0	110.5	Q687 Y2548	S658-Q687 PolarHBondContact OG-NE2 3.18Å; S658-Y2548 PolarHBondContact N-OH 3.3Å
659	R	25	Very low	25.9	Very low	163 Å²	163	124 Å²	124	62%	0.615	67%	0.672	S	S	*	*			trans	-170.6	123	153.8	-92.3	-150.7	153	130.9	-0.8	106.9	S657	S657-R659 PolarHBondContact O-N 2.93Å
660	E	25.6	Very low	25.9	Very low	137 Å²	137	120.9 Å²	120.9	64%	0.64	65%	0.648	S	S	*	*				66.8	122.2	75.9	-67.6	-176.5	130.4	0	0	113.5
661	N	26.7	Very low	25.9	Very low	145 Å²	145	118.7 Å²	118.7	78%	0.775	64%	0.642	S	S	*	*			trans	63.8	97.5	155.6	-60	-12.9	0	0	0	119.5
662	V	26.2	Very low	26	Very low	137 Å²	137	117.6 Å²	117.6	83%	0.83	64%	0.641	S	S	*	*				32.2	121.8	111.4	-175	0	0	0	0	117
663	S	25.8	Very low	26.1	Very low	96 Å²	96	120.7 Å²	120.7	67%	0.671	65%	0.651	S	S	*	*			trans	-66.6	139.4	177.9	54.6	0	0	0	0	115.9
664	H	30	Very low	26	Very low	194 Å²	194	123.2 Å²	123.2	90%	0.898	66%	0.662	S	S	*	*				-161.1	142.1	123.4	-83.1	-67.2	0	0	0	107.6
665	G	28.3	Very low	26.4	Very low	61 Å²	61	121.5 Å²	121.5	63%	0.629	66%	0.655	S	S	*	*			cis	159.2	141.5	-10.1	0	0	0	0	0	111.1
666	L	26.5	Very low	26.6	Very low	166 Å²	166	117.9 Å²	117.9	87%	0.869	65%	0.652	S	S	*	*			trans	67	156.8	175.8	-49.4	168.9	0	0	0	114.9
667	H	26	Very low	26.9	Very low	117 Å²	117	116.2 Å²	116.2	54%	0.542	64%	0.635	S	S	.	*			cis	-142.2	164.3	-25	-135.8	-139.8	0	0	0	110.4	Q2333	H667-Q2333 VanDerWaalsContact CE1-CD 3.43Å; H667-Q2333 PolarHBondContact ND1-NE2 2.71Å; H667-Q2333 PolarHBondContact ND1-OE1 3.37Å
668	P	32.9	Very low	27.3	Very low	45 Å²	45	121.9 Å²	121.9	29%	0.292	65%	0.645	S	S	.	*			trans	-99	171.9	-169.6	8.8	8.2	0	0	0	117.8	Q2331 Q2333	P668-Q2331 HydrophobicContact CB-CB 4.42Å; P668-Q2331 HydrophobicContact CB-CG 3.2Å; P668-Q2333 HydrophobicContact CB-CG 4.36Å; P668-Q2333 VanDerWaalsContact CD-CG 3.48Å; P668-Q2333 HydrophobicContact CG-CG 3.79Å; P668-Q2333 PolarHBondContact O-NE2 2.82Å
669	Q	24.8	Very low	27.6	Very low	71 Å²	71	119.7 Å²	119.7	33%	0.332	63%	0.634	S	S	.	*				170.2	127.4	126.8	-81	-146.4	-30.8	0	0	116.8	Q2331 K2332 Q2333	Q669-Q2331 VanDerWaalsContact C-OE1 3.29Å; Q669-K2332 HydrophobicContact CB-CG 4.06Å; Q669-K2332 HydrophobicContact CG-CB 4.39Å; Q669-K2332 HydrophobicContact CG-CG 3.84Å; Q669-Q2333 HydrophobicContact CG-CB 3.97Å; Q669-Q2333 HydrophobicContact CG-CG 3.56Å; Q669-Q2333 PolarHBondContact NE2-O 2.86Å
670	T	24.7	Very low	27.7	Very low	53 Å²	53	120.1 Å²	120.1	33%	0.325	65%	0.647	S	S	.	*			trans	68.1	134.7	158.5	9.8	0	0	0	0	124.5	Q2331 K2332	T670-Q2331 WeakPolarHBondContact CA-O 3.4Å; T670-Q2331 PolarHBondContact N-O 2.72Å; T670-K2332 HydrophobicContact CG2-CD 3.94Å; T670-K2332 HydrophobicContact CG2-CG 3.92Å; T670-K2332 WeakPolarHBondContact OG1-CE 3.25Å; T670-K2332 PolarHBondContact OG1-NZ 3.42Å
671	N	25.4	Very low	27.8	Very low	126 Å²	126	119.3 Å²	119.3	67%	0.674	66%	0.656	S	S	*	*				40.9	146.6	128.5	-68.8	15	0	0	0	122.2
672	T	28.6	Very low	27.9	Very low	114 Å²	114	115.4 Å²	115.4	70%	0.699	64%	0.644	S	S	*	*			cis	-159.5	151.4	23.4	-11.2	0	0	0	0	114.4
673	L	26.1	Very low	28	Very low	137 Å²	137	114.8 Å²	114.8	72%	0.717	63%	0.627	S	S	*	*			trans	78.7	133.6	148.9	-65.9	178.5	0	0	0	126.2
674	Y	24.7	Very low	28.2	Very low	206 Å²	206	113.5 Å²	113.5	81%	0.808	62%	0.618	S	S	*	*			trans	72.9	95.3	146.1	-69.3	-53.8	0	0	0	127.1
675	A	30.7	Very low	28.3	Very low	80 Å²	80	110.5 Å²	110.5	66%	0.661	60%	0.602	S	S	*	*				83.7	128	113	0	0	0	0	0	127.7
676	N	30	Very low	28.2	Very low	145 Å²	145	113.9 Å²	113.9	78%	0.775	60%	0.597	S	S	*	*			trans	79.2	87.8	132.5	-64.9	-7	0	0	0	127.8
677	D	29.9	Very low	28.4	Very low	94 Å²	94	111.2 Å²	111.2	50%	0.503	58%	0.58	S	S	.	*				57.8	169.8	116.2	-146.6	23.3	0	0	0	129.2	K695	D677-K695 IonicContact OD1-NZ 2.73Å; D677-K695 PolarHBondContact OD1-NZ 3.42Å
678	R	31	Very low	28.4	Very low	195 Å²	195	108.8 Å²	108.8	74%	0.736	57%	0.573	S	S	*	*			trans	58.8	118.4	172.4	-56.2	-159.7	173.7	-171.8	0.7	126.3	K695 S696	R678-K695 VanDerWaalsContact C-CG 3.4Å; R678-K695 VanDerWaalsContact N-CD 3.31Å; R678-K695 WeakPolarHBondContact O-CB 3.08Å; R678-K695 WeakPolarHBondContact O-CD 3.49Å; R678-K695 WeakPolarHBondContact O-CG 3.11Å; R678-S696 WeakPolarHBondContact O-CB 3.39Å
679	G	29.8	Very low	28.1	Very low	31 Å²	31	110 Å²	110	32%	0.32	58%	0.583	S	S	.	*			trans	133.5	95.1	163.2	0	0	0	0	0	122.2	K695	G679-K695 VanDerWaalsContact O-CG 3.31Å; G679-K695 WeakPolarHBondContact O-CG 3.5Å
680	I	28.3	Very low	28.1	Very low	173 Å²	173	114.5 Å²	114.5	89%	0.887	61%	0.608	S	S	*	*			trans	72.9	129.3	133.9	-61.7	172.9	0	0	0	124.1
681	S	27.9	Very low	28.1	Very low	120 Å²	120	117.9 Å²	117.9	84%	0.839	62%	0.62	S	S	*	*			trans	66.5	155	151.7	-143.6	0	0	0	0	124.8
682	A	29.4	Very low	28.1	Very low	62 Å²	62	117.7 Å²	117.7	51%	0.512	62%	0.623	S	S	.	*			trans	-148.6	-176	-178.8	0	0	0	0	0	111.6	P1958	A682-P1958 WeakPolarHBondContact CB-O 3.39Å
683	R	26.9	Very low	28.1	Very low	124 Å²	124	116.2 Å²	116.2	47%	0.468	62%	0.616	S	S	.	*			trans	-133.6	-113.6	-176.1	178.6	169.4	131.3	-157.5	-15.3	115.3	I1955 H1956 L1957 P1958 V1959 D2460 T2461	R683-I1955 VanDerWaalsContact CZ-O 3.23Å; R683-I1955 PolarHBondContact NH1-O 3.14Å; R683-I1955 PolarHBondContact NH2-O 3.42Å; R683-H1956 WeakPolarHBondContact CB-O 3.24Å; R683-H1956 WeakPolarHBondContact CD-O 3.35Å; R683-H1956 WeakPolarHBondContact CG-O 3.38Å; R683-H1956 PolarHBondContact NE-O 3.19Å; R683-L1957 HydrophobicContact CG-CD2 4.24Å; R683-P1958 CarbonylContact O-C 3.57Å; R683-V1959 PolarHBondContact O-N 3.09Å; R683-D2460 IonicContact CZ-OD2 2.86Å; R683-D2460 IonicContact NE-OD2 3.65Å; R683-D2460 IonicContact NH2-OD2 3.87Å; R683-D2460 PolarHBondContact NH2-OD2 2.92Å; R683-T2461 PolarHBondContact NH2-OG1 3.27Å
684	S	31.2	Very low	28.1	Very low	70 Å²	70	114.3 Å²	114.3	49%	0.49	61%	0.606	S	S	.	*	S	Bend	trans	-104.4	-68.9	-167.5	-9.4	0	0	0	0	121.3	L1957 P1958 V1959	S684-L1957 VanDerWaalsContact CB-CD2 3.43Å; S684-L1957 VanDerWaalsContact N-CD2 3.28Å; S684-L1957 VanDerWaalsContact OG-CD2 3.26Å; S684-L1957 WeakPolarHBondContact OG-CD2 3.24Å; S684-P1958 VanDerWaalsContact C-CA 3.48Å; S684-V1959 VanDerWaalsContact O-CG2 3.24Å; S684-V1959 WeakPolarHBondContact O-CG2 3.04Å; S684-V1959 PolarHBondContact O-N 3.06Å
685	K	30.6	Very low	28.3	Very low	131 Å²	131	108.6 Å²	108.6	57%	0.57	59%	0.585	S	S	*	*			trans	-146	-67.5	-164.6	-169	168.5	170.1	-169.1	0	123.9	L1957	K685-L1957 HydrophobicContact CB-CD1 4.44Å
686	Y	27.3	Very low	28.2	Very low	132 Å²	132	108.5 Å²	108.5	52%	0.518	58%	0.58	S	S	.	*			trans	-92.4	-152.5	-153	-63.7	-84.5	0	0	0	119.5	H1956 L1957	Y686-H1956 PolarHBondContact O-CE1 2.93Å; Y686-H1956 VanDerWaalsContact O-CE1 3.23Å; Y686-L1957 HydrophobicContact CD2-CD1 4.28Å
687	Q	30.7	Very low	28.3	Very low	109 Å²	109	109 Å²	109	51%	0.509	58%	0.581	S	S	.	*			trans	-119.7	176.1	-171.2	-93.4	94.8	-30.3	0	0	113.7	S658 N2459	S658-Q687 PolarHBondContact OG-NE2 3.18Å; Q687-N2459 PolarHBondContact O-N 3.35Å
688	T	26.6	Very low	28.4	Very low	66 Å²	66	109.7 Å²	109.7	41%	0.405	59%	0.591	S	S	.	*			cis	-126.7	-175.1	11.6	53.1	0	0	0	0	114.2
689	S	24.7	Very low	28.4	Very low	72 Å²	72	107.2 Å²	107.2	50%	0.503	59%	0.59	S	S	.	*			trans	76.8	82.5	158.1	-53.6	0	0	0	0	118.7	Q691	S689-Q691 PolarHBondContact O-N 3.03Å
690	I	25.2	Very low	28.1	Very low	164 Å²	164	112.2 Å²	112.2	84%	0.841	61%	0.606	S	S	*	*			trans	-14.1	109.9	147.1	-58.5	161.2	0	0	0	114.9
691	Q	24.6	Very low	28	Very low	125 Å²	125	112.9 Å²	112.9	58%	0.584	60%	0.597	S	S	*	*				-169.9	158.1	106	-126.8	162.7	3.6	0	0	112.3	S689 K2456	S689-Q691 PolarHBondContact O-N 3.03Å; Q691-K2456 VanDerWaalsContact O-CD 3.3Å; Q691-K2456 WeakPolarHBondContact O-CD 3.3Å; Q691-K2456 WeakPolarHBondContact O-CG 3.36Å
692	T	26.6	Very low	27.8	Very low	121 Å²	121	110.7 Å²	110.7	74%	0.742	58%	0.582	S	S	*	*			trans	-105.9	179.6	-173.8	43.2	0	0	0	0	111.3
693	P	29	Very low	27.6	Very low	83 Å²	83	118 Å²	118	54%	0.539	60%	0.597	S	S	.	*			cis	-129.6	-162	-13.3	31.6	-8.6	0	0	0	112.8
694	N	25.8	Very low	27.4	Very low	97 Å²	97	116.7 Å²	116.7	52%	0.519	61%	0.608	S	S	.	*			trans	54	155.1	146.2	-59.4	-6	0	0	0	122.6
695	K	28.3	Very low	27.1	Very low	86 Å²	86	121 Å²	121	37%	0.374	62%	0.622	S	S	.	*			cis	-178.2	144.6	-37.4	-105.6	155.8	179.7	167.4	0	114.7	D677 R678 G679	D677-K695 IonicContact OD1-NZ 2.73Å; D677-K695 PolarHBondContact OD1-NZ 3.42Å; R678-K695 VanDerWaalsContact C-CG 3.4Å; R678-K695 VanDerWaalsContact N-CD 3.31Å; R678-K695 WeakPolarHBondContact O-CB 3.08Å; R678-K695 WeakPolarHBondContact O-CD 3.49Å; R678-K695 WeakPolarHBondContact O-CG 3.11Å; G679-K695 VanDerWaalsContact O-CG 3.31Å; G679-K695 WeakPolarHBondContact O-CG 3.5Å
696	S	29.1	Very low	26.7	Very low	78 Å²	78	125.7 Å²	125.7	55%	0.545	64%	0.636	S	S	.	*			trans	75.7	168	151.7	83	0	0	0	0	123.4	R678	R678-S696 WeakPolarHBondContact O-CB 3.39Å
697	I	31.3	Very low	26.7	Very low	157 Å²	157	124.2 Å²	124.2	81%	0.805	65%	0.645	S	S	*	*			trans	86.6	141.4	161.1	-77.7	168.9	0	0	0	116.7
698	P	31.9	Very low	26.6	Very low	108 Å²	108	124.1 Å²	124.1	70%	0.701	65%	0.654	S	S	*	*				-142.2	-120.8	-90.3	39.6	-13.7	0	0	0	114.7
699	I	31.3	Very low	26.6	Very low	142 Å²	142	126.1 Å²	126.1	73%	0.728	67%	0.67	S	S	*	*			trans	80	108.5	176.9	-63.4	162.3	0	0	0	113.3
700	E	24.3	Very low	26.9	Very low	136 Å²	136	129.3 Å²	129.3	64%	0.636	68%	0.681	S	S	*	*				69.1	142.1	66.4	-71.1	-160.5	117.3	0	0	113.2
701	R	26.2	Very low	27.5	Very low	187 Å²	187	124.9 Å²	124.9	71%	0.706	66%	0.664	S	S	*	*			cis	-148.6	133	7	-119.9	165.9	-147.6	160.7	16.1	107.3
702	S	22.8	Very low	27.8	Very low	74 Å²	74	122.8 Å²	122.8	52%	0.517	66%	0.659	S	S	.	*				67.3	154.4	101.5	81.1	0	0	0	0	116.6
703	Y	25.4	Very low	28.2	Very low	215 Å²	215	127.8 Å²	127.8	84%	0.843	67%	0.666	S	S	*	*			trans	72.4	126.6	-171.9	-48.4	-68.7	0	0	0	112.7
704	S	23.1	Very low	28	Very low	98 Å²	98	128.1 Å²	128.1	69%	0.685	67%	0.671	S	S	*	*			cis	94.6	149.9	39.9	-166.4	0	0	0	0	111.8
705	M	24.3	Very low	28	Very low	161 Å²	161	129 Å²	129	79%	0.793	67%	0.672	S	S	*	*			trans	64.9	118.5	-159	-45.8	-51.2	-178.6	0	0	112.1
706	R	22.7	Very low	27.8	Very low	228 Å²	228	131.7 Å²	131.7	86%	0.86	69%	0.69	S	S	*	*			cis	76.3	138.1	36.8	-158.1	-167.9	-152.3	-165.3	8	111.7
707	S	26.5	Very low	27.9	Very low	101 Å²	101	133.3 Å²	133.3	71%	0.706	70%	0.698	S	S	*	*			trans	76.6	162.5	174.5	-43.7	0	0	0	0	113.5
708	P	28.7	Very low	27.5	Very low	108 Å²	108	131.9 Å²	131.9	70%	0.701	69%	0.692	S	S	*	*			cis	-109.8	134	6	38.3	-27.7	0	0	0	115.5	I710	P708-I710 HydrophobicContact CB-CG1 4.1Å
709	S	27.1	Very low	27.1	Very low	107 Å²	107	130.9 Å²	130.9	75%	0.748	69%	0.688	S	S	*	*			trans	-72.8	128.4	141.9	49.8	0	0	0	0	108.8
710	I	30.4	Very low	26.8	Very low	140 Å²	140	131.2 Å²	131.2	72%	0.718	68%	0.684	S	S	*	*			trans	-121.9	118.7	164.2	-59.4	-175.5	0	0	0	107.4	P708 V712	P708-I710 HydrophobicContact CB-CG1 4.1Å; I710-V712 HydrophobicContact CG2-CB 4.44Å; I710-V712 HydrophobicContact CG2-CG2 3.88Å
711	S	38.2	Very low	26.9	Very low	70 Å²	70	127.8 Å²	127.8	49%	0.49	68%	0.675	S	S	.	*			trans	-138.4	92.7	170.5	47.5	0	0	0	0	107.5	Q715	S711-Q715 VanDerWaalsContact O-CA 3.26Å; S711-Q715 WeakPolarHBondContact O-CA 3.49Å; S711-Q715 WeakPolarHBondContact O-CG 3.31Å; S711-Q715 PolarHBondContact O-N 3.02Å
712	V	31.9	Very low	27.3	Very low	81 Å²	81	120.8 Å²	120.8	49%	0.491	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-151.8	132.5	-168.8	-169	0	0	0	0	107.4	I710 Q715	I710-V712 HydrophobicContact CG2-CB 4.44Å; I710-V712 HydrophobicContact CG2-CG2 3.88Å; V712-Q715 HydrophobicContact CB-CG 4.22Å; V712-Q715 HydrophobicContact CG1-CG 4.11Å; V712-Q715 HydrophobicContact CG2-CG 3.73Å
713	Y	34.5	Very low	27.6	Very low	226 Å²	226	123.6 Å²	123.6	89%	0.886	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	cis	-84.3	141	-9.1	-103.4	-109.3	0	0	0	111.2
714	S	24.1	Very low	27.6	Very low	91 Å²	91	118 Å²	118	64%	0.636	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	cis	-138.3	98.9	-13	51.8	0	0	0	0	110.9
715	Q	25.6	Very low	27.8	Very low	116 Å²	116	121.4 Å²	121.4	54%	0.542	66%	0.664	S	S	.	*				59.5	102.1	119.9	-68.5	-179.3	-2.4	0	0	118.4	S711 V712	S711-Q715 VanDerWaalsContact O-CA 3.26Å; S711-Q715 WeakPolarHBondContact O-CA 3.49Å; S711-Q715 WeakPolarHBondContact O-CG 3.31Å; S711-Q715 PolarHBondContact O-N 3.02Å; V712-Q715 HydrophobicContact CB-CG 4.22Å; V712-Q715 HydrophobicContact CG1-CG 4.11Å; V712-Q715 HydrophobicContact CG2-CG 3.73Å
716	L	25.4	Very low	27.8	Very low	142 Å²	142	118.8 Å²	118.8	74%	0.743	66%	0.662	S	S	*	*			trans	65.9	173.5	149.9	-85.7	69	0	0	0	115.7
717	P	29.5	Very low	28	Very low	112 Å²	112	112.5 Å²	112.5	73%	0.727	65%	0.653	S	S	*	*			cis	-122.5	156	-19.9	20.2	0.5	0	0	0	113.4
718	N	24.1	Very low	27.9	Very low	127 Å²	127	113.3 Å²	113.3	68%	0.679	66%	0.658	S	S	*	*			trans	-65.1	144	154.9	-81.3	-28.6	0	0	0	110.3
719	S	23.9	Very low	27.8	Very low	86 Å²	86	112.7 Å²	112.7	60%	0.601	66%	0.663	S	S	*	*			trans	154.5	-178.1	131.6	60.5	0	0	0	0	111.9	N2267	S719-N2267 PolarHBondContact O-ND2 3.46Å
720	K	24.1	Very low	27.7	Very low	149 Å²	149	111 Å²	111	65%	0.648	66%	0.662	S	S	*	*			trans	69.1	103.9	176.8	-67.9	-170.7	178.2	-176.5	0	115.6	N2266 N2267	K720-N2266 WeakPolarHBondContact O-CB 3.34Å; K720-N2266 PolarHBondContact O-ND2 2.75Å; K720-N2267 PolarHBondContact O-ND2 3.35Å
721	S	27.2	Very low	27.4	Very low	65 Å²	65	112.5 Å²	112.5	46%	0.455	67%	0.666	S	S	.	*				-51.7	149.1	119.9	44.8	0	0	0	0	110.1	Q2265 N2266	S721-Q2265 WeakPolarHBondContact CA-O 3.48Å; S721-Q2265 WeakPolarHBondContact CB-O 3.44Å; S721-N2266 WeakPolarHBondContact CA-O 3.36Å; S721-N2266 VanDerWaalsContact CB-O 3.25Å; S721-N2266 WeakPolarHBondContact CB-O 3.43Å
722	P	33.9	Very low	26.8	Very low	40 Å²	40	115.4 Å²	115.4	26%	0.26	68%	0.676	S	S	.	*				-135.2	141.8	119.6	36.4	-28.2	0	0	0	112.8	S2264 Q2265	P722-S2264 VanDerWaalsContact O-O 3.11Å; P722-S2264 PolarHBondContact O-OG 2.94Å; P722-Q2265 VanDerWaalsContact CD-OE1 3.23Å
723	L	28.3	Very low	26.5	Very low	133 Å²	133	115.4 Å²	115.4	70%	0.696	68%	0.677	S	S	*	*	S	Bend		-71.4	123.7	128.6	-80.3	176.7	0	0	0	107.6	I2263	L723-I2263 WeakPolarHBondContact CD2-O 3.17Å
724	S	27	Very low	26	Very low	98 Å²	98	110.9 Å²	110.9	69%	0.685	66%	0.663	S	S	*	*			trans	47.4	131.8	151.2	59.6	0	0	0	0	120.5
725	L	25.6	Very low	26.8	Very low	168 Å²	168	111.4 Å²	111.4	88%	0.88	67%	0.667	S	S	*	*			trans	-127.8	92.3	170.3	-117.4	176	0	0	0	112
726	S	26.3	Very low	27.6	Very low	107 Å²	107	110.8 Å²	110.8	75%	0.748	67%	0.673	S	S	*	*			trans	-174.3	135.7	157.6	53.7	0	0	0	0	110.3
727	S	25.3	Very low	27.8	Very low	95 Å²	95	110.5 Å²	110.5	66%	0.664	67%	0.672	S	S	*	*			cis	-177.6	148.6	-17.4	39.6	0	0	0	0	108.4
728	S	25.7	Very low	27.6	Very low	118 Å²	118	112 Å²	112	83%	0.825	67%	0.674	S	S	*	*			trans	58.5	166.7	156.4	51	0	0	0	0	119.1
729	A	26.5	Very low	27.6	Very low	96 Å²	96	108.6 Å²	108.6	79%	0.793	66%	0.659	S	S	*	*			cis	-166.9	147.8	-39.6	0	0	0	0	0	109.1
730	G	24	Very low	27.7	Very low	72 Å²	72	110.7 Å²	110.7	74%	0.742	66%	0.658	S	S	*	*			trans	90.9	140.4	156.8	0	0	0	0	0	118.1
731	Q	24.7	Very low	27.7	Very low	171 Å²	171	109.2 Å²	109.2	80%	0.799	66%	0.656	S	S	*	*			trans	62.5	123	151.8	-60.3	-172.1	3.4	0	0	120.7
732	N	26.2	Very low	27.5	Very low	130 Å²	130	109.5 Å²	109.5	70%	0.695	66%	0.658	S	S	*	*			trans	69.9	134.8	140	-55.6	-5.6	0	0	0	119.1
733	T	25.3	Very low	26.9	Very low	82 Å²	82	118.2 Å²	118.2	50%	0.503	69%	0.686	S	S	.	*			cis	-156.4	145	-8.1	5	0	0	0	0	110.3	L2250	T733-L2250 WeakPolarHBondContact O-CD1 2.26Å
734	E	24.1	Very low	26.9	Very low	130 Å²	130	117.2 Å²	117.2	61%	0.607	69%	0.689	S	S	*	*			trans	78.4	89.7	157.9	-65.7	173.8	-168.8	0	0	120.6
735	S	39	Very low	27.3	Very low	103 Å²	103	117.5 Å²	117.5	72%	0.72	69%	0.689	S	S	*	*				-56.1	162	117.4	-37.3	0	0	0	0	110.2
736	P	43.9	Very low	27.1	Very low	102 Å²	102	116.9 Å²	116.9	66%	0.662	68%	0.679	S	S	*	*			cis	-147	-148.1	25.1	37.8	-12.9	0	0	0	113.2
737	N	28.3	Very low	26.9	Very low	136 Å²	136	118.3 Å²	118.3	73%	0.727	67%	0.674	S	S	*	*			trans	78.6	157.6	162.6	-63.9	-40.8	0	0	0	118.9
738	L	25.4	Very low	26.9	Very low	144 Å²	144	119.3 Å²	119.3	75%	0.754	68%	0.681	S	S	*	*			trans	36.1	133.9	138.8	-66.3	166.4	0	0	0	121
739	C	25	Very low	26.7	Very low	56 Å²	56	119.4 Å²	119.4	38%	0.378	68%	0.681	S	S	.	*			trans	69.5	175.3	137.8	-72.1	0	0	0	0	118.3	A2242 A2243	C739-A2242 VanDerWaalsContact O-CB 3.29Å; C739-A2242 WeakPolarHBondContact O-CB 2.27Å; C739-A2243 CarbonylContact C-O 3.44Å
740	F	25.7	Very low	26.8	Very low	129 Å²	129	121.3 Å²	121.3	57%	0.566	68%	0.682	S	S	*	*			cis	-121.6	140.7	-12.4	-137.5	-84.7	0	0	0	111.6	S742 A2243	F740-S742 PolarHBondContact O-N 2.99Å; F740-A2243 PolarHBondContact N-O 3.38Å; F740-A2243 PolarHBondContact O-N 3.39Å
741	I	23.9	Very low	27.1	Very low	118 Å²	118	123.4 Å²	123.4	61%	0.605	68%	0.681	S	S	*	*			trans	-17.4	116.8	153.1	-72.7	138.3	0	0	0	112.4
742	S	22.6	Very low	27.2	Very low	72 Å²	72	120.1 Å²	120.1	50%	0.503	67%	0.666	S	S	.	*				69	146	67.7	93	0	0	0	0	115.5	F740	F740-S742 PolarHBondContact O-N 2.99Å
743	R	22.8	Very low	27.3	Very low	223 Å²	223	116.9 Å²	116.9	84%	0.842	65%	0.65	S	S	*	*			trans	61.9	113.1	155.6	-62.6	171	173.8	178.4	-1.9	118.6
744	S	27.4	Very low	27.4	Very low	111 Å²	111	121 Å²	121	78%	0.776	66%	0.657	S	S	*	*			trans	68	176.7	134.7	73.8	0	0	0	0	117.2
745	P	34.8	Very low	27.4	Very low	104 Å²	104	118.1 Å²	118.1	68%	0.675	65%	0.651	S	S	*	*				-129.6	-167.5	-54.1	33.8	-17.2	0	0	0	111.8
746	K	21.6	Very low	26.7	Very low	155 Å²	155	120.2 Å²	120.2	67%	0.674	65%	0.654	S	S	*	*			trans	76.6	128.8	154.4	-75.6	174.5	148.7	-75.8	0	119.8
747	E	22.5	Very low	25.9	Very low	138 Å²	138	122.7 Å²	122.7	65%	0.645	66%	0.66	S	S	*	*			trans	62.8	84.5	132.6	-70.3	138.5	-152	0	0	120.8
748	S	24.8	Very low	25.6	Very low	116 Å²	116	120.2 Å²	120.2	81%	0.811	65%	0.653	S	S	*	*				-155.6	129.9	114.9	-1.7	0	0	0	0	107.8
749	C	22.7	Very low	25.6	Very low	120 Å²	120	118.5 Å²	118.5	81%	0.811	65%	0.648	S	S	*	*				72.4	68.5	50	-61.2	0	0	0	0	113.8
750	T	28.2	Very low	25.5	Very low	136 Å²	136	120 Å²	120	83%	0.834	66%	0.66	S	S	*	*				-118.1	147.7	121.8	36.7	0	0	0	0	110.1
751	T	30.4	Very low	25.4	Very low	115 Å²	115	118.5 Å²	118.5	71%	0.706	66%	0.658	S	S	*	*			trans	-24.2	146.1	171.3	52.3	0	0	0	0	118.5
752	E	26.9	Very low	25.4	Very low	103 Å²	103	118.8 Å²	118.8	48%	0.481	67%	0.665	S	S	.	*			cis	-169.6	145.2	-4.4	-117.9	174.4	121.7	0	0	111.4	R1031	E752-R1031 WeakPolarHBondContact OE1-CD 3.23Å; E752-R1031 IonicContact OE1-CZ 2.76Å; E752-R1031 IonicContact OE1-NE 3.87Å; E752-R1031 PolarHBondContact OE1-NE 2.99Å; E752-R1031 IonicContact OE1-NH1 2.67Å; E752-R1031 PolarHBondContact OE1-NH1 2.92Å; E752-R1031 IonicContact OE2-CZ 3.19Å; E752-R1031 IonicContact OE2-NH1 3.62Å; E752-R1031 PolarHBondContact OE2-NH1 2.91Å; E752-R1031 IonicContact OE2-NH2 2.74Å; E752-R1031 PolarHBondContact OE2-NH2 2.74Å
753	T	28	Very low	25.4	Very low	61 Å²	61	119.3 Å²	119.3	37%	0.374	66%	0.661	S	S	.	*			trans	56.6	115.1	162.5	48.2	0	0	0	0	119	R1031 T1032	T753-R1031 HydrophobicContact CG2-CB 4.32Å; T753-R1031 HydrophobicContact CG2-CG 3.79Å; T753-R1031 PolarHBondContact OG1-NE 3.25Å; T753-T1032 HydrophobicContact CG2-CG2 3.68Å
754	R	26.7	Very low	25.6	Very low	170 Å²	170	113.8 Å²	113.8	64%	0.642	65%	0.654	S	S	*	*			cis	63.1	144.9	41.5	-62.7	-175.7	74.2	172.3	0.7	115.5	S1034	R754-S1034 PolarHBondContact NH1-OG 3.34Å; R754-S1034 VanDerWaalsContact NH1-OG 3.15Å; R754-S1034 PolarHBondContact NH2-OG 3.47Å
755	S	25.7	Very low	25.5	Very low	69 Å²	69	116 Å²	116	48%	0.483	65%	0.65	S	S	.	*			cis	176.2	143.8	-26.6	53.3	0	0	0	0	107.9
756	D	24.4	Very low	24.9	Very low	146 Å²	146	115.6 Å²	115.6	78%	0.781	64%	0.642	S	S	*	*			trans	44.3	119.2	151.6	-43.4	-32.1	0	0	0	120.4
757	I	26.7	Very low	24.9	Very low	155 Å²	155	114.1 Å²	114.1	80%	0.795	63%	0.633	S	S	*	*				-162.6	93.5	112.7	-100.4	158.1	0	0	0	111.7
758	S	22.4	Very low	25.1	Very low	84 Å²	84	111.8 Å²	111.8	59%	0.587	63%	0.629	S	S	*	*				35	131.5	129.6	72.5	0	0	0	0	123.1
759	V	23.6	Very low	25	Very low	107 Å²	107	109.9 Å²	109.9	65%	0.648	62%	0.615	S	S	*	*			trans	71.9	136.8	149.5	-134.2	0	0	0	0	119.9
760	S	22.8	Very low	25	Very low	89 Å²	89	110.3 Å²	110.3	62%	0.622	61%	0.614	S	S	*	*			trans	56.8	131.4	145.4	53.1	0	0	0	0	119.4
761	N	23.7	Very low	24.7	Very low	97 Å²	97	114 Å²	114	52%	0.519	61%	0.614	S	S	.	*			cis	-160.7	-178.6	8.9	-110.5	3.3	0	0	0	110.2
762	V	24.7	Very low	24.3	Very low	124 Å²	124	114.1 Å²	114.1	75%	0.752	62%	0.619	S	S	*	*			trans	82.6	121.9	166	-167.9	0	0	0	0	115.5
763	L	23.2	Very low	24.2	Very low	82 Å²	82	113.3 Å²	113.3	43%	0.429	63%	0.63	S	S	.	*			trans	77	150.3	166.2	-78.7	168.1	0	0	0	119.2	F765 N1056	L763-F765 VanDerWaalsContact CD2-N 3.31Å; L763-N1056 HydrophobicContact CD1-CB 3.61Å; L763-N1056 HydrophobicContact CD2-CB 3.42Å; L763-N1056 VanDerWaalsContact CD2-CB 3.42Å; L763-N1056 WeakPolarHBondContact CD2-ND2 3.32Å; L763-N1056 HydrophobicContact CG-CB 3.85Å
764	P	25.6	Very low	23.9	Very low	107 Å²	107	116.3 Å²	116.3	70%	0.695	64%	0.644	S	S	*	*			cis	-124.4	152.4	36.5	41.2	-28.3	0	0	0	119.6
765	F	26.4	Very low	23.9	Very low	157 Å²	157	112.6 Å²	112.6	69%	0.689	64%	0.644	S	S	*	*			trans	47.4	141.7	142.1	-79.7	-99	0	0	0	123.7	L763	L763-F765 VanDerWaalsContact CD2-N 3.31Å
766	L	22.2	Very low	23.7	Very low	97 Å²	97	118.2 Å²	118.2	51%	0.508	66%	0.66	S	S	.	*			trans	-108	160.5	166.3	-83.4	171.4	0	0	0	111
767	Y	22.4	Very low	23.7	Very low	123 Å²	123	115 Å²	115	48%	0.482	65%	0.649	S	S	.	*			trans	61.9	106.9	152.8	-97.6	-83.1	0	0	0	121	T1602	Y767-T1602 HydrophobicContact CD1-CG2 4.3Å; Y767-T1602 WeakPolarHBondContact CD1-OG1 3.43Å; Y767-T1602 HydrophobicContact CD2-CG2 4.14Å; Y767-T1602 HydrophobicContact CE1-CG2 4.23Å; Y767-T1602 HydrophobicContact CE2-CG2 4.07Å; Y767-T1602 HydrophobicContact CG-CG2 4.26Å
768	T	25.4	Very low	23.7	Very low	90 Å²	90	114.2 Å²	114.2	55%	0.552	65%	0.651	S	S	*	*			trans	177.5	132.7	141.8	21.9	0	0	0	0	105.3
769	S	22.5	Very low	23.9	Very low	76 Å²	76	115.2 Å²	115.2	53%	0.531	66%	0.655	S	S	.	*			cis	54.9	133.7	14.8	75.2	0	0	0	0	113.6
770	V	22.7	Very low	24.1	Very low	128 Å²	128	118.1 Å²	118.1	78%	0.776	66%	0.661	S	S	*	*			cis	-140	173.9	37.6	178.5	0	0	0	0	111.2
771	Y	22.6	Very low	24.2	Very low	215 Å²	215	119.7 Å²	119.7	84%	0.843	67%	0.667	S	S	*	*			trans	-45.7	132.9	160.2	-77.3	-111.9	0	0	0	113.2
772	S	21.6	Very low	24.6	Very low	116 Å²	116	120.6 Å²	120.6	81%	0.811	68%	0.679	S	S	*	*				-167.9	135.6	126.5	-78.8	0	0	0	0	108
773	A	25.6	Very low	24.7	Very low	87 Å²	87	121 Å²	121	72%	0.719	68%	0.681	S	S	*	*			cis	65.9	65.3	18.5	0	0	0	0	0	115.1
774	D	21.4	Very low	24.8	Very low	123 Å²	123	121.4 Å²	121.4	66%	0.658	69%	0.687	S	S	*	*				-153.9	154.4	112	-135.3	-28.7	0	0	0	113.9
775	S	25.5	Very low	24.8	Very low	92 Å²	92	126.6 Å²	126.6	64%	0.643	69%	0.693	S	S	*	*			trans	174	75.3	154.6	34.3	0	0	0	0	110	S777	S775-S777 PolarHBondContact O-N 2.95Å
776	K	21.9	Very low	24.7	Very low	188 Å²	188	123 Å²	123	82%	0.817	69%	0.692	S	S	*	*			trans	-60	115.7	163.1	-64.9	162.2	-174.1	150.5	0	110
777	S	24.2	Very low	24.7	Very low	79 Å²	79	124 Å²	124	55%	0.552	71%	0.708	S	S	*	*			trans	-148.3	109.4	155.2	39.7	0	0	0	0	107.3	S775	S775-S777 PolarHBondContact O-N 2.95Å
778	V	27.1	Very low	25.6	Very low	137 Å²	137	123.8 Å²	123.8	83%	0.83	72%	0.721	S	S	*	*				75.3	121.5	99.6	170.7	0	0	0	0	111.5
779	P	27.4	Very low	25.5	Very low	105 Å²	105	130.4 Å²	130.4	68%	0.682	74%	0.736	S	S	*	*			trans	-83	166.8	-173.7	36	-37.7	0	0	0	112.4
780	H	27	Very low	25.6	Very low	168 Å²	168	133.5 Å²	133.5	78%	0.778	74%	0.744	S	S	*	*			trans	-170.4	114.3	133.8	-103.7	-66.2	0	0	0	112.7
781	T	24.3	Very low	25.9	Very low	122 Å²	122	132.8 Å²	132.8	75%	0.748	74%	0.736	S	S	*	*			trans	44	150.3	139.5	38.4	0	0	0	0	123.9
782	P	33.6	Very low	25.9	Very low	116 Å²	116	131 Å²	131	75%	0.753	73%	0.734	S	S	*	*			trans	-105.8	-172.9	-168.9	43.3	-36.9	0	0	0	114.3
783	V	27	Very low	26.1	Very low	134 Å²	134	130.9 Å²	130.9	81%	0.812	73%	0.733	S	S	*	*			trans	-177.8	157.3	130.6	143.8	0	0	0	0	113.4
784	T	25.6	Very low	26.1	Very low	89 Å²	89	130.8 Å²	130.8	55%	0.546	73%	0.727	S	S	.	*			trans	-50.4	169.1	178.8	62.3	0	0	0	0	116.2
785	R	25	Very low	26.2	Very low	216 Å²	216	132 Å²	132	82%	0.815	73%	0.733	S	S	*	*				-177	135.2	51.3	-165.1	169.2	-178	165.4	0.8	116.3
786	A	23.6	Very low	26.2	Very low	82 Å²	82	130.8 Å²	130.8	68%	0.678	72%	0.724	S	S	*	*			trans	34.7	144	144.4	0	0	0	0	0	126.3
787	S	22.9	Very low	26.4	Very low	119 Å²	119	125.8 Å²	125.8	83%	0.832	72%	0.718	S	S	*	*			trans	101.6	142.7	135.5	-70.8	0	0	0	0	121.5
788	P	41	Very low	26.6	Very low	117 Å²	117	126.7 Å²	126.7	76%	0.76	72%	0.72	S	S	*	*			trans	-111.7	172.8	-172	43.1	-35.4	0	0	0	114.3
789	R	23.7	Very low	26.5	Very low	230 Å²	230	126 Å²	126	87%	0.868	71%	0.708	S	S	*	*			trans	-168.3	144.2	157	-113.7	179.8	179.3	179.3	0.2	115.4
790	M	24.7	Very low	26.5	Very low	141 Å²	141	127 Å²	127	70%	0.695	71%	0.711	S	S	*	*			trans	68.2	143.3	138.4	-61.3	-115.6	79.2	0	0	123.1
791	N	27.6	Very low	26.6	Very low	113 Å²	113	123.4 Å²	123.4	60%	0.604	70%	0.704	S	S	*	*			trans	67.3	123.4	146.2	-60.1	-6.7	0	0	0	119
792	H	23.8	Very low	26.6	Very low	177 Å²	177	125.4 Å²	125.4	82%	0.819	70%	0.699	S	S	*	*				68.4	96.1	59.6	-65.6	-62.2	0	0	0	114.4
793	S	25.6	Very low	26.2	Very low	113 Å²	113	126.5 Å²	126.5	79%	0.79	70%	0.699	S	S	*	*			trans	174.9	171.6	135.8	62.4	0	0	0	0	113.3
794	S	25.9	Very low	26.1	Very low	85 Å²	85	124.2 Å²	124.2	59%	0.594	69%	0.689	S	S	*	*			trans	74.9	105.2	155.2	-53.7	0	0	0	0	119.6
795	I	23	Very low	26	Very low	150 Å²	150	124.3 Å²	124.3	77%	0.769	69%	0.693	S	S	*	*			trans	-102.5	102.5	170.2	-61.6	171.6	0	0	0	109	N2261	I795-N2261 PolarHBondContact N-OD1 2.75Å; I795-N2261 PolarHBondContact O-OD1 3.5Å; I795-N2261 VanDerWaalsContact O-OD1 3.04Å
796	S	26.1	Very low	25.9	Very low	66 Å²	66	124.5 Å²	124.5	46%	0.462	70%	0.7	S	S	.	*			trans	-135.3	73.5	175.8	-171	0	0	0	0	113.4	S2260 N2261	S796-S2260 WeakPolarHBondContact OG-CA 2.24Å; S796-N2261 WeakPolarHBondContact CB-OD1 2.26Å; S796-N2261 PolarHBondContact OG-N 3Å
797	A	26.6	Very low	25.8	Very low	83 Å²	83	127.4 Å²	127.4	69%	0.686	70%	0.704	S	S	*	*			trans	-69.2	162.2	151.1	0	0	0	0	0	109
798	V	27.8	Very low	25.9	Very low	98 Å²	98	126.5 Å²	126.5	59%	0.594	70%	0.698	S	S	*	*			cis	-166.2	152.4	-11.7	115.2	0	0	0	0	109
799	Q	25.5	Very low	25	Very low	123 Å²	123	126.8 Å²	126.8	58%	0.575	70%	0.701	S	S	*	*			trans	66.3	163.8	167.9	-85.4	171.2	-87.7	0	0	115.6	C801 Y802	Q799-C801 PolarHBondContact NE2-SG 2.68Å; Q799-Y802 VanDerWaalsContact CA-CE2 3.42Å; Q799-Y802 HydrophobicContact CB-CE2 4.12Å; Q799-Y802 HydrophobicContact CG-CD2 3.68Å; Q799-Y802 HydrophobicContact CG-CE2 3.6Å; Q799-Y802 PolarHBondContact N-OH 3.19Å
800	T	25.9	Very low	24.9	Very low	124 Å²	124	126.8 Å²	126.8	76%	0.761	70%	0.701	S	S	*	*	S	Bend	cis	-128.9	146.4	14.7	48.8	0	0	0	0	111.8
801	C	28.8	Very low	24.8	Very low	93 Å²	93	125.3 Å²	125.3	63%	0.628	70%	0.701	S	S	*	*	S	Bend	cis	-164.7	113.8	-13.6	-91.5	0	0	0	0	109.3	Q799	Q799-C801 PolarHBondContact NE2-SG 2.68Å
802	Y	25.1	Very low	24.6	Very low	164 Å²	164	128.8 Å²	128.8	64%	0.643	71%	0.705	S	S	*	*				-125	131.6	-54.8	-127.8	-49.7	0	0	0	107.8	Q799	Q799-Y802 VanDerWaalsContact CA-CE2 3.42Å; Q799-Y802 HydrophobicContact CB-CE2 4.12Å; Q799-Y802 HydrophobicContact CG-CD2 3.68Å; Q799-Y802 HydrophobicContact CG-CE2 3.6Å; Q799-Y802 PolarHBondContact N-OH 3.19Å
803	N	24.4	Very low	24.7	Very low	140 Å²	140	125 Å²	125	75%	0.749	70%	0.699	S	S	*	*			trans	-66.4	148.9	174	-77.2	4.3	0	0	0	110.8
804	S	25.9	Very low	24.9	Very low	86 Å²	86	131.2 Å²	131.2	60%	0.601	71%	0.705	S	S	*	*			cis	84.9	153.3	40	99.1	0	0	0	0	115
805	S	23.1	Very low	24.8	Very low	91 Å²	91	133 Å²	133	64%	0.636	72%	0.718	S	S	*	*			trans	74.4	112.4	162.9	-50.9	0	0	0	0	118.1
806	F	23.1	Very low	25	Very low	220 Å²	220	134.1 Å²	134.1	97%	0.965	72%	0.724	S	S	*	*			trans	-134.1	128.6	130.1	-113	-77.7	0	0	0	108.6
807	D	22.2	Very low	24.8	Very low	142 Å²	142	134.9 Å²	134.9	76%	0.759	73%	0.729	S	S	*	*			trans	-104.8	149.8	-176	-105.1	-60.5	0	0	0	112.1
808	S	23.8	Very low	24.7	Very low	101 Å²	101	137.2 Å²	137.2	71%	0.706	74%	0.738	S	S	*	*			trans	29.4	112.7	148.7	-165.3	0	0	0	0	120.6
809	C	22.7	Very low	24.6	Very low	122 Å²	122	140.5 Å²	140.5	82%	0.824	75%	0.751	S	S	*	*				-169.5	112.2	118.9	-100.7	0	0	0	0	116
810	R	21.7	Very low	24.5	Very low	230 Å²	230	145.2 Å²	145.2	87%	0.868	76%	0.764	S	S	*	*			trans	38.1	136.7	130.4	-138.7	-170.1	-175.1	175.6	0.6	123.1
811	T	22.8	Very low	24.6	Very low	111 Å²	111	145.3 Å²	145.3	68%	0.681	76%	0.764	S	S	*	*			trans	98.8	122.9	137.2	4.6	0	0	0	0	124.3
812	R	22.6	Very low	24.3	Very low	185 Å²	185	146 Å²	146	70%	0.698	77%	0.769	S	S	*	*			trans	60.1	108.9	139.3	-98.3	-174.1	174.5	-166.6	-2.8	124.3
813	S	26.1	Very low	24.6	Very low	98 Å²	98	144.1 Å²	144.1	69%	0.685	77%	0.771	S	S	*	*				58.9	116.2	123.8	63	0	0	0	0	124.8
814	R	29.2	Very low	24.7	Very low	243 Å²	243	145 Å²	145	92%	0.917	78%	0.78	S	S	*	*			trans	50.5	116	140.2	-67.4	-173.6	176.1	-170.1	-1.6	121.3
815	S	24.7	Very low	25.1	Very low	124 Å²	124	142.8 Å²	142.8	87%	0.867	77%	0.772	S	S	*	*				-168.9	171	117.2	57.5	0	0	0	0	112.2
816	L	25.9	Very low	26.3	Very low	172 Å²	172	139.8 Å²	139.8	90%	0.901	76%	0.755	S	S	*	*			trans	-91.7	123.3	-168.7	-68.5	160	0	0	0	114
817	S	23.1	Very low	27.8	Very low	82 Å²	82	136 Å²	136	57%	0.573	74%	0.74	S	S	*	*			trans	-177.1	142.2	147.3	-82.8	0	0	0	0	110.1	L819	S817-L819 PolarHBondContact O-N 2.69Å
818	P	25.2	Very low	29.9	Very low	132 Å²	132	136 Å²	136	86%	0.857	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-72.9	116.6	179.8	29	-33.5	0	0	0	111.1
819	L	24	Very low	32	Very low	167 Å²	167	136.6 Å²	136.6	87%	0.874	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-82	127.5	179.1	-149.4	76.3	0	0	0	110.5	S817 V821	S817-L819 PolarHBondContact O-N 2.69Å; L819-V821 PolarHBondContact O-N 3.03Å
820	R	24	Very low	34.7	Very low	223 Å²	223	133.5 Å²	133.5	84%	0.842	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-58.7	126.2	-178.6	-66.4	-179.6	175.7	113.9	-2	111.4	S822	R820-S822 PolarHBondContact O-N 3.12Å; R820-S822 VanDerWaalsContact O-N 3.07Å
821	V	29	Very low	37.5	Very low	126 Å²	126	126.2 Å²	126.2	76%	0.764	68%	0.683	S	S	*	*			trans	-74.4	95.7	166.2	-178.4	0	0	0	0	108.1	L819 N823	L819-V821 PolarHBondContact O-N 3.03Å; V821-N823 HydrophobicContact CG1-CB 4.31Å; V821-N823 PolarHBondContact O-N 2.9Å
822	S	22.4	Very low	40.1	Very low	106 Å²	106	124.7 Å²	124.7	74%	0.741	67%	0.671	S	S	*	*			trans	-75.1	53.9	178.4	-61	0	0	0	0	113.1	R820	R820-S822 PolarHBondContact O-N 3.12Å; R820-S822 VanDerWaalsContact O-N 3.07Å
823	N	30.9	Very low	42.9	Very low	126 Å²	126	117.7 Å²	117.7	67%	0.674	65%	0.647	S	S	*	*			trans	-94.1	99.7	161.8	-105.6	3.7	0	0	0	108.2	V821 G825 G826	V821-N823 HydrophobicContact CG1-CB 4.31Å; V821-N823 PolarHBondContact O-N 2.9Å; N823-G825 VanDerWaalsContact C-N 3.33Å; N823-G825 PolarHBondContact O-N 3.1Å; N823-G826 PolarHBondContact O-N 3.24Å
824	V	26.4	Very low	45.8	Very low	157 Å²	157	113.3 Å²	113.3	95%	0.952	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	92.8	176.9	-178.4	0	0	0	0	108.9
825	G	34.4	Very low	48.4	Very low	41 Å²	41	107 Å²	107	42%	0.423	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	150.1	-37	-172.4	0	0	0	0	0	112.6	N823 E827 Q828 D829	N823-G825 VanDerWaalsContact C-N 3.33Å; N823-G825 PolarHBondContact O-N 3.1Å; G825-E827 PolarHBondContact O-N 3.16Å; G825-Q828 WeakPolarHBondContact O-CB 3.22Å; G825-Q828 PolarHBondContact O-N 3.15Å; G825-D829 PolarHBondContact O-N 3.09Å
826	G	48	Very low	51.1	Low	27 Å²	27	103.6 Å²	103.6	28%	0.278	57%	0.571	S	S	.	*	H	α-helix	trans	-65.7	-37	-170.9	0	0	0	0	0	115.2	N823 Q828 D829 I830	N823-G826 PolarHBondContact O-N 3.24Å; G826-Q828 VanDerWaalsContact C-N 3.27Å; G826-Q828 PolarHBondContact O-N 3.45Å; G826-D829 PolarHBondContact O-N 3.47Å; G826-I830 WeakPolarHBondContact O-CG1 3.36Å; G826-I830 PolarHBondContact O-N 3.43Å
827	E	55	Low	54	Low	140 Å²	140	95.5 Å²	95.5	65%	0.654	53%	0.528	S	S	*	.	H	α-helix	trans	-65.2	-32	177.1	-67	-176	160.4	0	0	112.1	G825 I830 L831	G825-E827 PolarHBondContact O-N 3.16Å; E827-I830 PolarHBondContact O-N 3.23Å; E827-L831 WeakPolarHBondContact O-CB 3.3Å; E827-L831 WeakPolarHBondContact O-CD1 3.09Å; E827-L831 VanDerWaalsContact O-CG 3.28Å; E827-L831 WeakPolarHBondContact O-CG 3.37Å; E827-L831 PolarHBondContact O-N 3.06Å
828	Q	65.7	Low	56.9	Low	144 Å²	144	96.4 Å²	96.4	67%	0.673	52%	0.519	S	S	*	.	H	α-helix	trans	-66.5	-43.3	177.2	-137.8	79.6	37.7	0	0	111.3	G825 G826 L831 L832	G825-Q828 WeakPolarHBondContact O-CB 3.22Å; G825-Q828 PolarHBondContact O-N 3.15Å; G826-Q828 VanDerWaalsContact C-N 3.27Å; G826-Q828 PolarHBondContact O-N 3.45Å; Q828-L831 PolarHBondContact O-N 3.37Å; Q828-L832 WeakPolarHBondContact O-CB 3.25Å; Q828-L832 PolarHBondContact O-N 2.85Å
829	D	68.7	Low	59.5	Low	112 Å²	112	96.9 Å²	96.9	60%	0.599	51%	0.509	S	S	*	.	H	α-helix	trans	-69.2	-38.5	177.7	-70.7	-34.3	0	0	0	111.7	G825 G826 L832 L833	G825-D829 PolarHBondContact O-N 3.09Å; G826-D829 PolarHBondContact O-N 3.47Å; D829-L832 PolarHBondContact O-N 3.13Å; D829-L833 WeakPolarHBondContact O-CB 3.45Å; D829-L833 PolarHBondContact O-N 3.37Å
830	I	78.9	Confident	62.2	Low	58 Å²	58	95.5 Å²	95.5	30%	0.297	49%	0.493	S	S	.	.	H	α-helix	trans	-62.5	-45.1	173.9	-69.3	166.8	0	0	0	111	G826 E827 L833 N834 L893 T895	G826-I830 WeakPolarHBondContact O-CG1 3.36Å; G826-I830 PolarHBondContact O-N 3.43Å; E827-I830 PolarHBondContact O-N 3.23Å; I830-L833 PolarHBondContact O-N 2.98Å; I830-N834 WeakPolarHBondContact O-CB 3.49Å; I830-N834 PolarHBondContact O-N 3.18Å; I830-N834 PolarHBondContact O-ND2 3.39Å; I830-L893 HydrophobicContact CG2-CD2 4.05Å; I830-T895 HydrophobicContact CD1-CG2 4.46Å; I830-T895 HydrophobicContact CG1-CG2 4.15Å; I830-T895 HydrophobicContact CG2-CG2 3.92Å
831	L	81.3	Confident	65.2	Low	76 Å²	76	87.8 Å²	87.8	40%	0.398	47%	0.465	S	S	.	.	H	α-helix	trans	-64.4	-40.8	176.4	-75.2	165.8	0	0	0	111.9	E827 Q828 N834 H835 L893	E827-L831 WeakPolarHBondContact O-CB 3.3Å; E827-L831 WeakPolarHBondContact O-CD1 3.09Å; E827-L831 VanDerWaalsContact O-CG 3.28Å; E827-L831 WeakPolarHBondContact O-CG 3.37Å; E827-L831 PolarHBondContact O-N 3.06Å; Q828-L831 PolarHBondContact O-N 3.37Å; L831-N834 PolarHBondContact O-N 3.47Å; L831-H835 WeakPolarHBondContact O-CB 2.93Å; L831-H835 PolarHBondContact O-N 3.07Å; L831-L893 HydrophobicContact CD2-CD2 3.93Å; L831-L893 HydrophobicContact CG-CD2 4.1Å
832	L	75.8	Confident	67.7	Low	79 Å²	79	85.2 Å²	85.2	41%	0.414	45%	0.452	S	S	.	.	H	α-helix	trans	-66.7	-41.2	177	-172.1	68.5	0	0	0	111.8	Q828 D829 H835 V836	Q828-L832 WeakPolarHBondContact O-CB 3.25Å; Q828-L832 PolarHBondContact O-N 2.85Å; D829-L832 PolarHBondContact O-N 3.13Å; L832-H835 PolarHBondContact O-N 3.37Å; L832-V836 WeakPolarHBondContact O-CG2 3.43Å; L832-V836 PolarHBondContact O-N 3.38Å
833	L	81.4	Confident	70.4	Confident	38 Å²	38	85.2 Å²	85.2	20%	0.199	44%	0.438	C	S	.	.	H	α-helix	trans	-62.4	-45.4	173.3	177.9	78.2	0	0	0	111.4	D829 I830 H835 V836 Y837 L942 L945 E946	D829-L833 WeakPolarHBondContact O-CB 3.45Å; D829-L833 PolarHBondContact O-N 3.37Å; I830-L833 PolarHBondContact O-N 2.98Å; L833-H835 VanDerWaalsContact C-N 3.32Å; L833-H835 PolarHBondContact O-N 3.45Å; L833-V836 CarbonylContact O-C 2.68Å; L833-V836 PolarHBondContact O-N 3Å; L833-Y837 WeakPolarHBondContact O-CB 3.28Å; L833-Y837 PolarHBondContact O-N 3.14Å; L833-L942 HydrophobicContact CD2-CD2 4.14Å; L833-L942 HydrophobicContact CG-CD2 4.24Å; L833-L945 HydrophobicContact CD1-CB 3.85Å; L833-E946 HydrophobicContact CD1-CG 4.24Å; L833-E946 HydrophobicContact CD2-CG 3.43Å; L833-E946 VanDerWaalsContact CD2-CG 3.43Å; L833-E946 HydrophobicContact CG-CG 4.43Å
834	N	88.7	Confident	72.8	Confident	7 Å²	7	80.2 Å²	80.2	4%	0.037	41%	0.414	C	S	.	.	H	α-helix	trans	-63.8	-38	176.2	-89.8	-102.9	0	0	0	111.9	I830 L831 Y837 R838 G892 L893 V894	I830-N834 WeakPolarHBondContact O-CB 3.49Å; I830-N834 PolarHBondContact O-N 3.18Å; I830-N834 PolarHBondContact O-ND2 3.39Å; L831-N834 PolarHBondContact O-N 3.47Å; N834-Y837 PolarHBondContact O-N 3Å; N834-R838 PolarHBondContact O-N 2.9Å; N834-G892 WeakPolarHBondContact CB-O 3.46Å; N834-G892 PolarHBondContact ND2-O 3.24Å; N834-G892 WeakPolarHBondContact OD1-CA 3.46Å; N834-G892 PolarHBondContact OD1-O 2.75Å; N834-L893 PolarHBondContact OD1-N 2.77Å; N834-V894 PolarHBondContact ND2-O 2.87Å; N834-V894 WeakPolarHBondContact OD1-CG2 3.22Å; N834-V894 PolarHBondContact OD1-N 2.96Å; N834-V894 PolarHBondContact OD1-O 3.13Å
835	H	83.6	Confident	75.7	Confident	109 Å²	109	72.9 Å²	72.9	51%	0.505	37%	0.37	S	S	.	.	H	α-helix	trans	-63	-44.1	172.1	-179.5	57.7	0	0	0	111.4	L831 L832 L833 Y837 R838 E839	L831-H835 WeakPolarHBondContact O-CB 2.93Å; L831-H835 PolarHBondContact O-N 3.07Å; L832-H835 PolarHBondContact O-N 3.37Å; L833-H835 VanDerWaalsContact C-N 3.32Å; L833-H835 PolarHBondContact O-N 3.45Å; H835-Y837 VanDerWaalsContact C-N 3.34Å; H835-Y837 PolarHBondContact O-N 3.19Å; H835-R838 PolarHBondContact O-N 3.05Å; H835-E839 WeakPolarHBondContact O-CB 3.42Å; H835-E839 WeakPolarHBondContact O-CG 3.07Å; H835-E839 PolarHBondContact O-N 2.53Å
836	V	80.2	Confident	78.3	Confident	54 Å²	54	73.3 Å²	73.3	33%	0.327	37%	0.37	S	S	.	.	H	α-helix	trans	-64.1	-36.3	173.9	170.6	0	0	0	0	112.4	L832 L833 R840 L945	L832-V836 WeakPolarHBondContact O-CG2 3.43Å; L832-V836 PolarHBondContact O-N 3.38Å; L833-V836 CarbonylContact O-C 2.68Å; L833-V836 PolarHBondContact O-N 3Å; V836-R840 HydrophobicContact CG1-CG 4.36Å; V836-R840 VanDerWaalsContact O-CB 3.3Å; V836-R840 WeakPolarHBondContact O-CB 3.37Å; V836-R840 VanDerWaalsContact O-CG 3.31Å; V836-R840 WeakPolarHBondContact O-CG 3.47Å; V836-R840 PolarHBondContact O-N 2.87Å; V836-L945 HydrophobicContact CG1-CD2 4.29Å
837	Y	87.1	Confident	80.3	Confident	2 Å²	2	75.9 Å²	75.9	1%	0.008	37%	0.374	C	S	.	.	H	α-helix	trans	-63.9	-47.6	173.1	168.5	-104.9	0	0	0	111.5	L833 N834 H835 R840 F841 L941 L942 L945	L833-Y837 WeakPolarHBondContact O-CB 3.28Å; L833-Y837 PolarHBondContact O-N 3.14Å; N834-Y837 PolarHBondContact O-N 3Å; H835-Y837 VanDerWaalsContact C-N 3.34Å; H835-Y837 PolarHBondContact O-N 3.19Å; Y837-R840 PolarHBondContact O-N 3.08Å; Y837-F841 AromaticContact CD2-CD2 3.89Å; Y837-F841 HydrophobicContact CD2-CD2 3.89Å; Y837-F841 HydrophobicContact CE2-CB 4.38Å; Y837-F841 HydrophobicContact CE2-CD2 4.26Å; Y837-F841 PolarHBondContact O-N 3.39Å; Y837-L941 HydrophobicContact CD2-CB 4.4Å; Y837-L941 HydrophobicContact CE2-CB 3.92Å; Y837-L941 HydrophobicContact CE2-CD1 4.29Å; Y837-L942 HydrophobicContact CD1-CD1 4.4Å; Y837-L942 HydrophobicContact CD2-CD1 4.37Å; Y837-L942 HydrophobicContact CD2-CD2 4.38Å; Y837-L942 HydrophobicContact CD2-CG 3.91Å; Y837-L942 HydrophobicContact CE1-CD1 4.48Å; Y837-L942 HydrophobicContact CE2-CD1 4.45Å; Y837-L942 HydrophobicContact CE2-CG 4.31Å; Y837-L942 HydrophobicContact CG-CD1 4.36Å; Y837-L942 HydrophobicContact CG-CD2 4.18Å; Y837-L942 HydrophobicContact CG-CG 4.1Å; Y837-L945 HydrophobicContact CD2-CD1 4.07Å; Y837-L945 HydrophobicContact CG-CD1 4.41Å
838	R	83.9	Confident	82.1	Confident	100 Å²	100	69.4 Å²	69.4	38%	0.377	34%	0.344	S	S	.	.	H	α-helix	trans	-65.3	-39.6	175.5	-107.4	-178.5	168.8	172.8	-6.3	112.9	N834 H835 P842 S845 Q849	N834-R838 PolarHBondContact O-N 2.9Å; H835-R838 PolarHBondContact O-N 3.05Å; R838-P842 WeakPolarHBondContact O-CA 3.31Å; R838-P842 WeakPolarHBondContact O-CB 3.34Å; R838-P842 VanDerWaalsContact O-CD 3.26Å; R838-P842 WeakPolarHBondContact O-CD 3.41Å; R838-P842 VanDerWaalsContact O-N 3.09Å; R838-S845 VanDerWaalsContact CG-OG 3.28Å; R838-S845 WeakPolarHBondContact CG-OG 3.26Å; R838-S845 PolarHBondContact NE-OG 3.37Å; R838-Q849 VanDerWaalsContact NH2-NE2 3.13Å
839	E	80.7	Confident	83.4	Confident	142 Å²	142	63.7 Å²	63.7	66%	0.664	32%	0.317	S	S	*	.	H	α-helix	trans	-65.4	-41.4	176.3	-81.6	-85.1	114.1	0	0	112.3	H835	H835-E839 WeakPolarHBondContact O-CB 3.42Å; H835-E839 WeakPolarHBondContact O-CG 3.07Å; H835-E839 PolarHBondContact O-N 2.53Å
840	R	79.3	Confident	84.6	Confident	138 Å²	138	64.8 Å²	64.8	52%	0.521	32%	0.319	S	S	.	.	H	α-helix	trans	-82.5	-33.4	-177.7	-72	-179.7	172	-135.4	-2.6	113.8	V836 Y837	V836-R840 HydrophobicContact CG1-CG 4.36Å; V836-R840 VanDerWaalsContact O-CB 3.3Å; V836-R840 WeakPolarHBondContact O-CB 3.37Å; V836-R840 VanDerWaalsContact O-CG 3.31Å; V836-R840 WeakPolarHBondContact O-CG 3.47Å; V836-R840 PolarHBondContact O-N 2.87Å; Y837-R840 PolarHBondContact O-N 3.08Å
841	F	87	Confident	85.4	Confident	61 Å²	61	65.7 Å²	65.7	27%	0.268	32%	0.322	S	S	.	.	S	Bend	trans	-129.5	48.1	-174.4	-50.1	-68.1	0	0	0	112.1	Y837 K843 A844 S845 L941 L945	Y837-F841 AromaticContact CD2-CD2 3.89Å; Y837-F841 HydrophobicContact CD2-CD2 3.89Å; Y837-F841 HydrophobicContact CE2-CB 4.38Å; Y837-F841 HydrophobicContact CE2-CD2 4.26Å; Y837-F841 PolarHBondContact O-N 3.39Å; F841-K843 VanDerWaalsContact C-N 3.3Å; F841-K843 PolarHBondContact O-N 2.93Å; F841-A844 HydrophobicContact CB-CB 4.13Å; F841-A844 PolarHBondContact O-N 2.9Å; F841-S845 PolarHBondContact O-N 3.36Å; F841-L941 HydrophobicContact CB-CD1 4.41Å; F841-L941 HydrophobicContact CD1-CD1 4.42Å; F841-L941 HydrophobicContact CD1-CD2 4.28Å; F841-L941 HydrophobicContact CD2-CB 4.49Å; F841-L941 HydrophobicContact CD2-CD1 4.44Å; F841-L941 HydrophobicContact CD2-CD2 4.42Å; F841-L941 HydrophobicContact CE1-CD2 3.96Å; F841-L941 HydrophobicContact CE2-CD2 4.11Å; F841-L941 HydrophobicContact CG-CD1 4.18Å; F841-L941 HydrophobicContact CG-CD2 4.5Å; F841-L941 HydrophobicContact CZ-CD2 3.87Å; F841-L945 HydrophobicContact CD2-CD1 4.49Å; F841-L945 HydrophobicContact CE2-CD1 4.14Å; F841-L945 HydrophobicContact CE2-CG 4.49Å
842	P	82.3	Confident	86	Confident	73 Å²	73	62 Å²	62	47%	0.474	30%	0.303	S	S	.	.	H	α-helix	trans	-58	-42.9	-168.7	20.6	-31.9	0	0	0	112.3	R838 A844 S845 A846	R838-P842 WeakPolarHBondContact O-CA 3.31Å; R838-P842 WeakPolarHBondContact O-CB 3.34Å; R838-P842 VanDerWaalsContact O-CD 3.26Å; R838-P842 WeakPolarHBondContact O-CD 3.41Å; R838-P842 VanDerWaalsContact O-N 3.09Å; P842-A844 PolarHBondContact O-N 2.87Å; P842-S845 PolarHBondContact O-N 2.88Å; P842-A846 WeakPolarHBondContact O-CB 3.25Å; P842-A846 PolarHBondContact O-N 3.37Å
843	K	78.6	Confident	86.9	Confident	106 Å²	106	60 Å²	60	46%	0.461	30%	0.297	S	S	.	.	H	α-helix	trans	-69.4	-32.1	-179.7	-54	-178.6	-175.4	177.2	0	112.6	F841 H847 Y1228	F841-K843 VanDerWaalsContact C-N 3.3Å; F841-K843 PolarHBondContact O-N 2.93Å; K843-H847 VanDerWaalsContact O-CB 3.27Å; K843-H847 WeakPolarHBondContact O-CB 3.23Å; K843-H847 PolarHBondContact O-N 2.78Å; K843-Y1228 HydrophobicContact CB-CD1 4.48Å; K843-Y1228 HydrophobicContact CB-CD2 3.79Å; K843-Y1228 HydrophobicContact CB-CE1 4.09Å; K843-Y1228 HydrophobicContact CB-CE2 3.31Å; K843-Y1228 HydrophobicContact CB-CG 4.35Å; K843-Y1228 VanDerWaalsContact CB-CZ 3.48Å; K843-Y1228 HydrophobicContact CD-CD1 3.32Å; K843-Y1228 HydrophobicContact CD-CD2 3.79Å; K843-Y1228 HydrophobicContact CD-CE1 3.52Å; K843-Y1228 HydrophobicContact CD-CE2 3.96Å; K843-Y1228 HydrophobicContact CD-CG 3.46Å; K843-Y1228 VanDerWaalsContact CD-CG 3.46Å; K843-Y1228 HydrophobicContact CG-CD2 4.42Å; K843-Y1228 HydrophobicContact CG-CE1 4.42Å; K843-Y1228 HydrophobicContact CG-CE2 4.29Å
844	A	82.1	Confident	87.4	Confident	20 Å²	20	61.7 Å²	61.7	17%	0.165	31%	0.312	C	S	.	.	H	α-helix	trans	-73.8	-37.9	174.1	0	0	0	0	0	111.9	F841 P842 A846 M848 L941	F841-A844 HydrophobicContact CB-CB 4.13Å; F841-A844 PolarHBondContact O-N 2.9Å; P842-A844 PolarHBondContact O-N 2.87Å; A844-A846 VanDerWaalsContact C-N 3.35Å; A844-M848 WeakPolarHBondContact O-CB 3.43Å; A844-M848 PolarHBondContact O-N 2.79Å; A844-L941 HydrophobicContact CB-CD1 4.27Å
845	S	87.8	Confident	87.6	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-63.4	-40.2	171.5	176.2	0	0	0	0	111.8	R838 F841 P842 Q849	R838-S845 VanDerWaalsContact CG-OG 3.28Å; R838-S845 WeakPolarHBondContact CG-OG 3.26Å; R838-S845 PolarHBondContact NE-OG 3.37Å; F841-S845 PolarHBondContact O-N 3.36Å; P842-S845 PolarHBondContact O-N 2.88Å; S845-Q849 VanDerWaalsContact O-CD 3.3Å; S845-Q849 VanDerWaalsContact O-CG 3.23Å; S845-Q849 WeakPolarHBondContact O-CG 3.39Å; S845-Q849 PolarHBondContact O-N 3.49Å; S845-Q849 PolarHBondContact OG-NE2 3Å
846	A	88.5	Confident	88	Confident	51 Å²	51	56.5 Å²	56.5	42%	0.421	29%	0.289	S	S	.	.	H	α-helix	trans	-66.6	-49.6	176.8	0	0	0	0	0	111.2	P842 A844 M848 Q849 E850	P842-A846 WeakPolarHBondContact O-CB 3.25Å; P842-A846 PolarHBondContact O-N 3.37Å; A844-A846 VanDerWaalsContact C-N 3.35Å; A846-M848 VanDerWaalsContact C-N 3.34Å; A846-M848 PolarHBondContact O-N 3.35Å; A846-Q849 WeakPolarHBondContact O-CB 3.47Å; A846-Q849 PolarHBondContact O-N 2.99Å; A846-E850 WeakPolarHBondContact O-CB 3Å; A846-E850 PolarHBondContact O-N 3.34Å
847	H	89.9	Confident	88.5	Confident	80 Å²	80	58.4 Å²	58.4	37%	0.37	30%	0.297	S	S	.	.	H	α-helix	trans	-60.8	-38.9	179.9	-172.3	60.3	0	0	0	113	K843 E850 Q851	K843-H847 VanDerWaalsContact O-CB 3.27Å; K843-H847 WeakPolarHBondContact O-CB 3.23Å; K843-H847 PolarHBondContact O-N 2.78Å; H847-E850 IonicContact ND1-OE2 3.41Å; H847-Q851 PolarHBondContact CE1-NE2 2.97Å; H847-Q851 VanDerWaalsContact CE1-NE2 3.35Å; H847-Q851 PolarHBondContact NE2-NE2 3.15Å; H847-Q851 WeakPolarHBondContact O-CB 3.16Å; H847-Q851 WeakPolarHBondContact O-CG 3.38Å; H847-Q851 PolarHBondContact O-N 3.25Å
848	M	92.7	Very high	88.7	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.02	32%	0.315	C	S	.	.	H	α-helix	trans	-61.3	-43.6	171.5	178.3	-170.9	55.4	0	0	111.7	A844 A846 L852 A889 F899 I934 P938	A844-M848 WeakPolarHBondContact O-CB 3.43Å; A844-M848 PolarHBondContact O-N 2.79Å; A846-M848 VanDerWaalsContact C-N 3.34Å; A846-M848 PolarHBondContact O-N 3.35Å; M848-L852 HydrophobicContact CG-CD1 3.73Å; M848-L852 HydrophobicContact CG-CG 4.3Å; M848-L852 VanDerWaalsContact O-CB 3.27Å; M848-L852 WeakPolarHBondContact O-CB 3.34Å; M848-L852 WeakPolarHBondContact O-CG 3.46Å; M848-L852 PolarHBondContact O-N 3.04Å; M848-L852 HydrophobicContact SD-CD1 4.34Å; M848-A889 HydrophobicContact CE-CB 3.6Å; M848-F899 HydrophobicContact SD-CE1 4.38Å; M848-F899 HydrophobicContact SD-CZ 3.93Å; M848-I934 HydrophobicContact CG-CG2 4.33Å; M848-P938 HydrophobicContact CB-CG 3.79Å; M848-P938 HydrophobicContact CE-CB 4.43Å; M848-P938 HydrophobicContact CG-CB 4.44Å; M848-P938 HydrophobicContact CG-CG 3.74Å; M848-P938 HydrophobicContact SD-CB 3.43Å; M848-P938 WeakPolarHBondContact SD-CB 3.44Å; M848-P938 HydrophobicContact SD-CG 3.41Å; M848-P938 WeakPolarHBondContact SD-CG 3.49Å
849	Q	94	Very high	88.9	Confident	24 Å²	24	57.6 Å²	57.6	11%	0.112	30%	0.298	C	S	.	.	H	α-helix	trans	-67.5	-41.2	-179	-73	164.9	0.4	0	0	111.5	R838 S845 A846 A853 L886 A889 L890	R838-Q849 VanDerWaalsContact NH2-NE2 3.13Å; S845-Q849 VanDerWaalsContact O-CD 3.3Å; S845-Q849 VanDerWaalsContact O-CG 3.23Å; S845-Q849 WeakPolarHBondContact O-CG 3.39Å; S845-Q849 PolarHBondContact O-N 3.49Å; S845-Q849 PolarHBondContact OG-NE2 3Å; A846-Q849 WeakPolarHBondContact O-CB 3.47Å; A846-Q849 PolarHBondContact O-N 2.99Å; Q849-A853 WeakPolarHBondContact O-CB 3.25Å; Q849-A853 PolarHBondContact O-N 3.24Å; Q849-L886 HydrophobicContact CB-CD1 4.16Å; Q849-L886 HydrophobicContact CG-CD1 4.39Å; Q849-L886 WeakPolarHBondContact O-CD1 3.23Å; Q849-A889 HydrophobicContact CG-CB 3.86Å; Q849-A889 PolarHBondContact NE2-O 2.88Å; Q849-L890 HydrophobicContact CG-CD2 4.36Å
850	E	93.6	Very high	89.2	Confident	135 Å²	135	55.9 Å²	55.9	63%	0.631	29%	0.29	S	S	*	.	H	α-helix	trans	-64.2	-48.5	175.3	-176	174.7	-128.2	0	0	112.1	A846 H847 A853 S854	A846-E850 WeakPolarHBondContact O-CB 3Å; A846-E850 PolarHBondContact O-N 3.34Å; H847-E850 IonicContact ND1-OE2 3.41Å; E850-A853 PolarHBondContact O-N 3.42Å; E850-S854 WeakPolarHBondContact O-CB 3.32Å; E850-S854 PolarHBondContact O-N 3.1Å
851	Q	94.7	Very high	89.4	Confident	77 Å²	77	56.6 Å²	56.6	36%	0.36	30%	0.298	S	S	.	.	H	α-helix	trans	-69.7	-33.9	178.1	-73.3	-164.5	-28.2	0	0	113.4	H847 L855 I934	H847-Q851 PolarHBondContact CE1-NE2 2.97Å; H847-Q851 VanDerWaalsContact CE1-NE2 3.35Å; H847-Q851 PolarHBondContact NE2-NE2 3.15Å; H847-Q851 WeakPolarHBondContact O-CB 3.16Å; H847-Q851 WeakPolarHBondContact O-CG 3.38Å; H847-Q851 PolarHBondContact O-N 3.25Å; Q851-L855 VanDerWaalsContact O-CB 3.25Å; Q851-L855 WeakPolarHBondContact O-CB 3.26Å; Q851-L855 PolarHBondContact O-N 2.82Å; Q851-I934 HydrophobicContact CB-CD1 4.04Å; Q851-I934 HydrophobicContact CB-CG1 4.13Å; Q851-I934 HydrophobicContact CB-CG2 3.88Å
852	L	94.8	Very high	89.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67.3	-38.3	173.3	-75.3	170.7	0	0	0	112	M848 A856 C885 L886 L931 I934 I935	M848-L852 HydrophobicContact CG-CD1 3.73Å; M848-L852 HydrophobicContact CG-CG 4.3Å; M848-L852 VanDerWaalsContact O-CB 3.27Å; M848-L852 WeakPolarHBondContact O-CB 3.34Å; M848-L852 WeakPolarHBondContact O-CG 3.46Å; M848-L852 PolarHBondContact O-N 3.04Å; M848-L852 HydrophobicContact SD-CD1 4.34Å; L852-A856 VanDerWaalsContact O-CB 3.31Å; L852-A856 WeakPolarHBondContact O-CB 3.27Å; L852-A856 PolarHBondContact O-N 3.47Å; L852-A856 VanDerWaalsContact O-N 3.08Å; L852-C885 HydrophobicContact CD1-CB 3.88Å; L852-C885 VanDerWaalsContact CD1-SG 3.53Å; L852-C885 HydrophobicContact CD2-CB 4.12Å; L852-L886 HydrophobicContact CB-CB 4.15Å; L852-L886 HydrophobicContact CB-CD1 4.22Å; L852-L931 HydrophobicContact CD2-CD1 3.59Å; L852-I934 HydrophobicContact CD2-CG2 4.14Å; L852-I934 HydrophobicContact CG-CG2 3.96Å; L852-I935 HydrophobicContact CD2-CG2 4.45Å
853	A	94.1	Very high	88.9	Confident	36 Å²	36	59.4 Å²	59.4	30%	0.298	31%	0.311	S	S	.	.	H	α-helix	trans	-64.6	-50.5	173	0	0	0	0	0	111.1	Q849 E850 L855 A856 D857 L886	Q849-A853 WeakPolarHBondContact O-CB 3.25Å; Q849-A853 PolarHBondContact O-N 3.24Å; E850-A853 PolarHBondContact O-N 3.42Å; A853-L855 PolarHBondContact O-N 3.36Å; A853-A856 PolarHBondContact O-N 3.27Å; A853-D857 PolarHBondContact O-N 3.46Å; A853-L886 HydrophobicContact CB-CD2 3.92Å
854	S	92.9	Very high	89	Confident	73 Å²	73	56 Å²	56	51%	0.51	30%	0.299	S	S	.	.	H	α-helix	trans	-60.4	-41	179	-175.4	0	0	0	0	112.8	E850 E858	E850-S854 WeakPolarHBondContact O-CB 3.32Å; E850-S854 PolarHBondContact O-N 3.1Å; S854-E858 VanDerWaalsContact O-CB 3.23Å; S854-E858 WeakPolarHBondContact O-CB 3.47Å; S854-E858 PolarHBondContact O-N 2.7Å
855	L	91.8	Very high	88.6	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-67.4	-39.2	176.7	-177.8	67.4	0	0	0	111.8	Q851 A853 M859 R930 L931 I934	Q851-L855 VanDerWaalsContact O-CB 3.25Å; Q851-L855 WeakPolarHBondContact O-CB 3.26Å; Q851-L855 PolarHBondContact O-N 2.82Å; A853-L855 PolarHBondContact O-N 3.36Å; L855-M859 HydrophobicContact CD1-CG 3.98Å; L855-M859 HydrophobicContact CD1-SD 3.88Å; L855-M859 HydrophobicContact CD2-SD 4.39Å; L855-M859 HydrophobicContact CG-CG 4.32Å; L855-M859 HydrophobicContact CG-SD 3.92Å; L855-M859 VanDerWaalsContact O-CB 3.28Å; L855-M859 WeakPolarHBondContact O-CB 3.28Å; L855-M859 VanDerWaalsContact O-CG 3.26Å; L855-M859 WeakPolarHBondContact O-CG 3.42Å; L855-M859 PolarHBondContact O-N 3.22Å; L855-R930 HydrophobicContact CD1-CB 4.18Å; L855-R930 HydrophobicContact CD2-CB 4.4Å; L855-L931 HydrophobicContact CD2-CB 4.14Å; L855-L931 HydrophobicContact CD2-CD1 4.32Å; L855-I934 HydrophobicContact CB-CD1 4Å; L855-I934 HydrophobicContact CD2-CD1 3.63Å; L855-I934 HydrophobicContact CG-CD1 4.37Å
856	A	92.3	Very high	88.1	Confident	4 Å²	4	65.5 Å²	65.5	3%	0.033	36%	0.359	C	S	.	.	H	α-helix	trans	-65.4	-43.4	178.9	0	0	0	0	0	111.9	L852 A853 E860 R883	L852-A856 VanDerWaalsContact O-CB 3.31Å; L852-A856 WeakPolarHBondContact O-CB 3.27Å; L852-A856 PolarHBondContact O-N 3.47Å; L852-A856 VanDerWaalsContact O-N 3.08Å; A853-A856 PolarHBondContact O-N 3.27Å; A856-E860 WeakPolarHBondContact O-CB 3.33Å; A856-E860 PolarHBondContact O-N 2.97Å; A856-R883 HydrophobicContact CB-CG 4.18Å
857	D	91.1	Very high	87.9	Confident	93 Å²	93	65.2 Å²	65.2	50%	0.497	35%	0.347	S	S	.	.	H	α-helix	trans	-67.8	-46.9	176.1	-79.4	4.3	0	0	0	111.6	A853 M859 E860 H861	A853-D857 PolarHBondContact O-N 3.46Å; D857-M859 VanDerWaalsContact C-N 3.35Å; D857-M859 PolarHBondContact O-N 3.41Å; D857-E860 PolarHBondContact O-N 2.99Å; D857-H861 PolarHBondContact O-N 3.37Å; D857-H861 VanDerWaalsContact O-N 3.14Å; D857-H861 PolarHBondContact O-ND1 2.99Å
858	E	91	Very high	87.7	Confident	85 Å²	85	63.3 Å²	63.3	40%	0.397	34%	0.343	S	S	.	.	H	α-helix	trans	-60.4	-43.8	-180	-170.5	-164.9	141.5	0	0	111.7	S854 H861 M862 R930	S854-E858 VanDerWaalsContact O-CB 3.23Å; S854-E858 WeakPolarHBondContact O-CB 3.47Å; S854-E858 PolarHBondContact O-N 2.7Å; E858-H861 PolarHBondContact O-N 3.46Å; E858-M862 WeakPolarHBondContact O-CG 3.45Å; E858-M862 PolarHBondContact O-N 3.31Å; E858-R930 VanDerWaalsContact CD-NH2 3.3Å; E858-R930 IonicContact OE1-CZ 3.07Å; E858-R930 IonicContact OE1-NH1 2.72Å; E858-R930 PolarHBondContact OE1-NH1 3.21Å; E858-R930 IonicContact OE1-NH2 2.65Å; E858-R930 PolarHBondContact OE1-NH2 3.41Å; E858-R930 IonicContact OE2-CZ 2.65Å; E858-R930 IonicContact OE2-NH1 3.57Å; E858-R930 IonicContact OE2-NH2 2.83Å; E858-R930 PolarHBondContact OE2-NH2 3.11Å
859	M	87.3	Confident	87.2	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-66.1	-43.8	176.3	-73.5	-174.2	68.4	0	0	111.8	L855 D857 H861 M862 H875 V878 V879 F927	L855-M859 HydrophobicContact CD1-CG 3.98Å; L855-M859 HydrophobicContact CD1-SD 3.88Å; L855-M859 HydrophobicContact CD2-SD 4.39Å; L855-M859 HydrophobicContact CG-CG 4.32Å; L855-M859 HydrophobicContact CG-SD 3.92Å; L855-M859 VanDerWaalsContact O-CB 3.28Å; L855-M859 WeakPolarHBondContact O-CB 3.28Å; L855-M859 VanDerWaalsContact O-CG 3.26Å; L855-M859 WeakPolarHBondContact O-CG 3.42Å; L855-M859 PolarHBondContact O-N 3.22Å; D857-M859 VanDerWaalsContact C-N 3.35Å; D857-M859 PolarHBondContact O-N 3.41Å; M859-H861 PolarHBondContact O-N 3.34Å; M859-M862 PolarHBondContact O-N 3.4Å; M859-M862 VanDerWaalsContact O-N 3.09Å; M859-H875 WeakPolarHBondContact CE-CD2 3.47Å; M859-H875 PolarHBondContact O-CE1 3.32Å; M859-H875 PolarHBondContact O-NE2 3.44Å; M859-V878 HydrophobicContact CE-CB 4.08Å; M859-V878 HydrophobicContact CE-CG1 3.86Å; M859-V878 HydrophobicContact SD-CG1 4.22Å; M859-V879 HydrophobicContact CB-CG2 3.61Å; M859-V879 HydrophobicContact CE-CG2 3.92Å; M859-V879 HydrophobicContact SD-CG2 4.37Å; M859-F927 HydrophobicContact CE-CB 3.8Å; M859-F927 HydrophobicContact CE-CD1 3.72Å; M859-F927 HydrophobicContact CE-CD2 4.42Å; M859-F927 HydrophobicContact CE-CE1 4.43Å; M859-F927 HydrophobicContact CE-CG 3.73Å; M859-F927 HydrophobicContact SD-CD1 4.36Å
860	E	87.3	Confident	86.8	Confident	106 Å²	106	67.1 Å²	67.1	50%	0.495	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-24.4	179.2	-172.6	159.4	-100.7	0	0	113.5	A856 D857 R883	A856-E860 WeakPolarHBondContact O-CB 3.33Å; A856-E860 PolarHBondContact O-N 2.97Å; D857-E860 PolarHBondContact O-N 2.99Å; E860-R883 IonicContact OE1-CZ 3.84Å; E860-R883 IonicContact OE1-NH1 2.87Å; E860-R883 PolarHBondContact OE1-NH1 3.24Å; E860-R883 IonicContact OE1-NH2 2.68Å; E860-R883 PolarHBondContact OE1-NH2 2.96Å; E860-R883 IonicContact OE2-CZ 2.74Å; E860-R883 IonicContact OE2-NH1 3.83Å; E860-R883 IonicContact OE2-NH2 2.64Å; E860-R883 PolarHBondContact OE2-NH2 3.34Å
861	H	83.5	Confident	86.4	Confident	153 Å²	153	61 Å²	61	71%	0.708	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	3.5	176.6	-67.3	77	0	0	0	114.5	D857 E858 M859	D857-H861 PolarHBondContact O-N 3.37Å; D857-H861 VanDerWaalsContact O-N 3.14Å; D857-H861 PolarHBondContact O-ND1 2.99Å; E858-H861 PolarHBondContact O-N 3.46Å; M859-H861 PolarHBondContact O-N 3.34Å
862	M	82.8	Confident	86	Confident	72 Å²	72	61.2 Å²	61.2	36%	0.355	35%	0.345	S	S	.	.	S	Bend	trans	-71.5	134.1	174.5	-69.5	-156.9	78.2	0	0	112	E858 M859 T864 W867 F927	E858-M862 WeakPolarHBondContact O-CG 3.45Å; E858-M862 PolarHBondContact O-N 3.31Å; M859-M862 PolarHBondContact O-N 3.4Å; M859-M862 VanDerWaalsContact O-N 3.09Å; M862-T864 VanDerWaalsContact O-CG2 3.31Å; M862-T864 WeakPolarHBondContact O-CG2 3.23Å; M862-T864 PolarHBondContact O-N 3.3Å; M862-W867 HydrophobicContact CB-CH2 3.95Å; M862-W867 HydrophobicContact CB-CZ2 4.3Å; M862-W867 HydrophobicContact CE-CH2 4.18Å; M862-W867 HydrophobicContact CE-CZ2 3.95Å; M862-W867 HydrophobicContact SD-CH2 3.95Å; M862-W867 HydrophobicContact SD-CZ2 4.34Å; M862-F927 HydrophobicContact SD-CE1 3.73Å; M862-F927 HydrophobicContact SD-CZ 4.13Å
863	D	76.7	Confident	85.7	Confident	121 Å²	121	66.9 Å²	66.9	65%	0.647	37%	0.37	S	S	*	.			trans	-75.4	89.7	178	-168.7	-8.3	0	0	0	111.7	V865	D863-V865 VanDerWaalsContact C-N 3.28Å; D863-V865 PolarHBondContact O-N 3.5Å; D863-V865 WeakPolarHBondContact OD1-CB 3.49Å; D863-V865 VanDerWaalsContact OD1-CG2 3.27Å; D863-V865 WeakPolarHBondContact OD1-CG2 3.43Å; D863-V865 PolarHBondContact OD1-N 2.91Å
864	T	80.5	Confident	85.5	Confident	35 Å²	35	65.4 Å²	65.4	22%	0.215	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-82.2	3.3	-175.3	73.7	0	0	0	0	114.4	M862 S866 W867 R872	M862-T864 VanDerWaalsContact O-CG2 3.31Å; M862-T864 WeakPolarHBondContact O-CG2 3.23Å; M862-T864 PolarHBondContact O-N 3.3Å; T864-S866 VanDerWaalsContact C-N 3.3Å; T864-S866 PolarHBondContact O-N 3.43Å; T864-W867 HydrophobicContact CG2-CD2 4.33Å; T864-W867 HydrophobicContact CG2-CE3 3.74Å; T864-W867 HydrophobicContact CG2-CH2 3.8Å; T864-W867 HydrophobicContact CG2-CZ2 4.39Å; T864-W867 HydrophobicContact CG2-CZ3 3.45Å; T864-W867 VanDerWaalsContact CG2-CZ3 3.45Å; T864-W867 PolarHBondContact O-N 3.47Å; T864-R872 WeakPolarHBondContact O-CD 3.39Å; T864-R872 PolarHBondContact O-NH1 3.42Å
865	V	74.4	Confident	85.4	Confident	117 Å²	117	62.4 Å²	62.4	71%	0.709	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-61.4	-38.7	-174.5	174.8	0	0	0	0	111.9	D863 W867 R872	D863-V865 VanDerWaalsContact C-N 3.28Å; D863-V865 PolarHBondContact O-N 3.5Å; D863-V865 WeakPolarHBondContact OD1-CB 3.49Å; D863-V865 VanDerWaalsContact OD1-CG2 3.27Å; D863-V865 WeakPolarHBondContact OD1-CG2 3.43Å; D863-V865 PolarHBondContact OD1-N 2.91Å; V865-W867 VanDerWaalsContact C-N 3.27Å; V865-W867 PolarHBondContact O-N 3.3Å; V865-R872 PolarHBondContact O-NH1 2.82Å
866	S	77	Confident	85.3	Confident	105 Å²	105	65.7 Å²	65.7	73%	0.734	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-73	-11.4	-179.8	57.9	0	0	0	0	115	T864	T864-S866 VanDerWaalsContact C-N 3.3Å; T864-S866 PolarHBondContact O-N 3.43Å
867	W	83.5	Confident	85.3	Confident	45 Å²	45	68.3 Å²	68.3	17%	0.17	37%	0.369	C	S	.	.	S	Bend	trans	-87.3	169.5	-172.5	-54	-7.3	0	0	0	112.7	M862 T864 V865 A871 R872 H875 L923 F927	M862-W867 HydrophobicContact CB-CH2 3.95Å; M862-W867 HydrophobicContact CB-CZ2 4.3Å; M862-W867 HydrophobicContact CE-CH2 4.18Å; M862-W867 HydrophobicContact CE-CZ2 3.95Å; M862-W867 HydrophobicContact SD-CH2 3.95Å; M862-W867 HydrophobicContact SD-CZ2 4.34Å; T864-W867 HydrophobicContact CG2-CD2 4.33Å; T864-W867 HydrophobicContact CG2-CE3 3.74Å; T864-W867 HydrophobicContact CG2-CH2 3.8Å; T864-W867 HydrophobicContact CG2-CZ2 4.39Å; T864-W867 HydrophobicContact CG2-CZ3 3.45Å; T864-W867 VanDerWaalsContact CG2-CZ3 3.45Å; T864-W867 PolarHBondContact O-N 3.47Å; V865-W867 VanDerWaalsContact C-N 3.27Å; V865-W867 PolarHBondContact O-N 3.3Å; W867-A871 HydrophobicContact CB-CB 3.95Å; W867-R872 PolarHBondContact O-NH1 3.02Å; W867-R872 PolarHBondContact O-NH2 3.12Å; W867-R872 VanDerWaalsContact O-NH2 3.13Å; W867-H875 HydrophobicContact CZ3-CB 4.06Å; W867-H875 AromaticContact CZ3-CD2 3.71Å; W867-H875 AromaticContact CZ3-CG 3.79Å; W867-L923 HydrophobicContact CD2-CD2 3.53Å; W867-L923 HydrophobicContact CE3-CD2 3.73Å; W867-L923 HydrophobicContact CG-CD2 4.03Å; W867-L923 HydrophobicContact CH2-CD2 4.21Å; W867-L923 HydrophobicContact CZ2-CD2 4Å; W867-L923 HydrophobicContact CZ3-CD2 4.06Å; W867-F927 HydrophobicContact CH2-CE1 4.42Å; W867-F927 HydrophobicContact CH2-CE2 4.08Å; W867-F927 AromaticContact CH2-CZ 3.48Å; W867-F927 HydrophobicContact CH2-CZ 3.48Å; W867-F927 VanDerWaalsContact CH2-CZ 3.48Å; W867-F927 HydrophobicContact CZ2-CZ 4.29Å; W867-F927 AromaticContact CZ3-CE2 3.9Å; W867-F927 HydrophobicContact CZ3-CE2 3.9Å; W867-F927 AromaticContact CZ3-CZ 3.79Å; W867-F927 HydrophobicContact CZ3-CZ 3.79Å
868	S	85.3	Confident	85.4	Confident	40 Å²	40	63.9 Å²	63.9	28%	0.28	35%	0.345	S	S	.	.			trans	-70.3	161.9	172.5	84.5	0	0	0	0	112	V870 A871 R872 D917	S868-V870 PolarHBondContact O-N 2.92Å; S868-V870 PolarHBondContact OG-N 2.98Å; S868-A871 PolarHBondContact O-N 2.95Å; S868-A871 WeakPolarHBondContact OG-CB 3.37Å; S868-A871 PolarHBondContact OG-N 3.32Å; S868-R872 PolarHBondContact O-N 2.95Å; S868-D917 WeakPolarHBondContact CB-OD2 3.42Å; S868-D917 PolarHBondContact OG-OD2 3.31Å
869	A	82.8	Confident	85.5	Confident	73 Å²	73	60.3 Å²	60.3	60%	0.603	33%	0.329	S	S	*	.	H	α-helix	trans	-63.7	-29.9	174	0	0	0	0	0	112.6	F873	A869-F873 WeakPolarHBondContact O-CB 3.26Å; A869-F873 PolarHBondContact O-N 3.43Å; A869-F873 VanDerWaalsContact O-N 3.13Å
870	V	85.1	Confident	85.8	Confident	35 Å²	35	66.3 Å²	66.3	21%	0.212	36%	0.357	C	S	.	.	H	α-helix	trans	-72.2	-47.9	175.9	-175.7	0	0	0	0	110	S868 R872 F873 V874 T913 R916 D917	S868-V870 PolarHBondContact O-N 2.92Å; S868-V870 PolarHBondContact OG-N 2.98Å; V870-R872 VanDerWaalsContact C-N 3.33Å; V870-R872 PolarHBondContact O-N 2.93Å; V870-F873 PolarHBondContact O-N 3.42Å; V870-V874 HydrophobicContact CG1-CG2 4.26Å; V870-V874 WeakPolarHBondContact O-CB 3.42Å; V870-V874 VanDerWaalsContact O-CG2 3.27Å; V870-V874 WeakPolarHBondContact O-CG2 3.33Å; V870-V874 PolarHBondContact O-N 3.15Å; V870-T913 HydrophobicContact CG1-CG2 4.19Å; V870-R916 HydrophobicContact CG1-CB 4.28Å; V870-R916 HydrophobicContact CG2-CB 4.35Å; V870-D917 HydrophobicContact CB-CB 3.83Å; V870-D917 HydrophobicContact CG1-CB 4.06Å; V870-D917 HydrophobicContact CG2-CB 3.87Å
871	A	85.3	Confident	86.1	Confident	5 Å²	5	63 Å²	63	4%	0.041	34%	0.342	C	S	.	.	H	α-helix	trans	-55	-46.2	175.1	0	0	0	0	0	112	W867 S868 V874 H875	W867-A871 HydrophobicContact CB-CB 3.95Å; S868-A871 PolarHBondContact O-N 2.95Å; S868-A871 WeakPolarHBondContact OG-CB 3.37Å; S868-A871 PolarHBondContact OG-N 3.32Å; A871-V874 PolarHBondContact O-N 2.94Å; A871-H875 WeakPolarHBondContact O-CB 3.4Å; A871-H875 PolarHBondContact O-N 3Å
872	R	86.3	Confident	86.6	Confident	82 Å²	82	55.8 Å²	55.8	31%	0.309	31%	0.308	S	S	.	.	H	α-helix	trans	-59.9	-47.8	174.9	-85.2	-170.2	-71	-90.5	-4.6	113.1	T864 V865 W867 S868 V870 V874 H875 C876	T864-R872 WeakPolarHBondContact O-CD 3.39Å; T864-R872 PolarHBondContact O-NH1 3.42Å; V865-R872 PolarHBondContact O-NH1 2.82Å; W867-R872 PolarHBondContact O-NH1 3.02Å; W867-R872 PolarHBondContact O-NH2 3.12Å; W867-R872 VanDerWaalsContact O-NH2 3.13Å; S868-R872 PolarHBondContact O-N 2.95Å; V870-R872 VanDerWaalsContact C-N 3.33Å; V870-R872 PolarHBondContact O-N 2.93Å; R872-V874 VanDerWaalsContact C-N 3.35Å; R872-V874 PolarHBondContact O-N 3.46Å; R872-H875 WeakPolarHBondContact O-CB 3.41Å; R872-H875 PolarHBondContact O-N 3.24Å; R872-C876 PolarHBondContact O-N 3.01Å; R872-C876 VanDerWaalsContact O-N 3.07Å; R872-C876 PolarHBondContact O-SG 3.4Å; R872-C876 VanDerWaalsContact O-SG 3.37Å
873	F	89.5	Confident	87.2	Confident	120 Å²	120	57 Å²	57	53%	0.526	31%	0.309	S	S	.	.	H	α-helix	trans	-61.5	-44	179.3	175.8	-98.7	0	0	0	112	A869 V870 C876 Q877	A869-F873 WeakPolarHBondContact O-CB 3.26Å; A869-F873 PolarHBondContact O-N 3.43Å; A869-F873 VanDerWaalsContact O-N 3.13Å; V870-F873 PolarHBondContact O-N 3.42Å; F873-C876 PolarHBondContact O-N 3.26Å; F873-Q877 HydrophobicContact CD1-CG 4.37Å; F873-Q877 HydrophobicContact CE1-CG 3.93Å; F873-Q877 HydrophobicContact CE2-CG 4.48Å; F873-Q877 HydrophobicContact CZ-CG 3.99Å; F873-Q877 WeakPolarHBondContact O-CG 3.39Å; F873-Q877 PolarHBondContact O-N 3.22Å; F873-Q877 VanDerWaalsContact O-N 3.11Å
874	V	88.8	Confident	88.1	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.024	29%	0.291	C	S	.	.	H	α-helix	trans	-68.6	-39	179.8	174.2	0	0	0	0	111.4	V870 A871 R872 Q877 V878 L909 T913 V924	V870-V874 HydrophobicContact CG1-CG2 4.26Å; V870-V874 WeakPolarHBondContact O-CB 3.42Å; V870-V874 VanDerWaalsContact O-CG2 3.27Å; V870-V874 WeakPolarHBondContact O-CG2 3.33Å; V870-V874 PolarHBondContact O-N 3.15Å; A871-V874 PolarHBondContact O-N 2.94Å; R872-V874 VanDerWaalsContact C-N 3.35Å; R872-V874 PolarHBondContact O-N 3.46Å; V874-Q877 WeakPolarHBondContact O-CB 3.47Å; V874-Q877 PolarHBondContact O-N 3.48Å; V874-V878 WeakPolarHBondContact O-CG2 3.34Å; V874-V878 PolarHBondContact O-N 2.94Å; V874-L909 HydrophobicContact CG1-CD1 4.42Å; V874-L909 HydrophobicContact CG1-CD2 3.9Å; V874-L909 HydrophobicContact CG1-CG 3.86Å; V874-L909 HydrophobicContact CG2-CD1 4.27Å; V874-L909 HydrophobicContact CG2-CG 4.48Å; V874-T913 WeakPolarHBondContact CG2-OG1 3.48Å; V874-V924 HydrophobicContact CB-CG2 3.93Å; V874-V924 HydrophobicContact CG1-CB 4.09Å; V874-V924 HydrophobicContact CG1-CG1 3.51Å; V874-V924 HydrophobicContact CG1-CG2 3.47Å; V874-V924 VanDerWaalsContact CG1-CG2 3.47Å
875	H	90.6	Very high	88.8	Confident	10 Å²	10	52 Å²	52	5%	0.046	28%	0.281	C	S	.	.	H	α-helix	trans	-56.2	-50.8	172.1	176.3	-100.9	0	0	0	111.7	M859 W867 A871 R872 Q877 V878 V879 F927	M859-H875 WeakPolarHBondContact CE-CD2 3.47Å; M859-H875 PolarHBondContact O-CE1 3.32Å; M859-H875 PolarHBondContact O-NE2 3.44Å; W867-H875 HydrophobicContact CZ3-CB 4.06Å; W867-H875 AromaticContact CZ3-CD2 3.71Å; W867-H875 AromaticContact CZ3-CG 3.79Å; A871-H875 WeakPolarHBondContact O-CB 3.4Å; A871-H875 PolarHBondContact O-N 3Å; R872-H875 WeakPolarHBondContact O-CB 3.41Å; R872-H875 PolarHBondContact O-N 3.24Å; H875-Q877 VanDerWaalsContact C-N 3.29Å; H875-Q877 PolarHBondContact O-N 3.21Å; H875-V878 PolarHBondContact O-N 2.99Å; H875-V878 VanDerWaalsContact O-N 3.14Å; H875-V879 WeakPolarHBondContact O-CG2 3.46Å; H875-V879 PolarHBondContact O-N 3.25Å; H875-F927 AromaticContact CD2-CE2 3.95Å
876	C	90.7	Very high	89.8	Confident	73 Å²	73	48 Å²	48	49%	0.493	26%	0.256	S	S	.	.	H	α-helix	trans	-59	-37.8	176.3	-66.5	0	0	0	0	113.1	R872 F873 V879 Q880	R872-C876 PolarHBondContact O-N 3.01Å; R872-C876 VanDerWaalsContact O-N 3.07Å; R872-C876 PolarHBondContact O-SG 3.4Å; R872-C876 VanDerWaalsContact O-SG 3.37Å; F873-C876 PolarHBondContact O-N 3.26Å; C876-V879 PolarHBondContact O-N 3.27Å; C876-Q880 WeakPolarHBondContact O-CG 3.31Å; C876-Q880 PolarHBondContact O-N 3.12Å
877	Q	92.8	Very high	90.6	Very high	60 Å²	60	49.6 Å²	49.6	28%	0.28	25%	0.251	S	S	.	.	H	α-helix	trans	-64.9	-40.2	175.4	-71.4	-97.8	74.7	0	0	112.4	F873 V874 H875 Q880 H881 L909	F873-Q877 HydrophobicContact CD1-CG 4.37Å; F873-Q877 HydrophobicContact CE1-CG 3.93Å; F873-Q877 HydrophobicContact CE2-CG 4.48Å; F873-Q877 HydrophobicContact CZ-CG 3.99Å; F873-Q877 WeakPolarHBondContact O-CG 3.39Å; F873-Q877 PolarHBondContact O-N 3.22Å; F873-Q877 VanDerWaalsContact O-N 3.11Å; V874-Q877 WeakPolarHBondContact O-CB 3.47Å; V874-Q877 PolarHBondContact O-N 3.48Å; H875-Q877 VanDerWaalsContact C-N 3.29Å; H875-Q877 PolarHBondContact O-N 3.21Å; Q877-Q880 PolarHBondContact O-N 3.22Å; Q877-H881 PolarHBondContact O-CD2 3.03Å; Q877-H881 VanDerWaalsContact O-CD2 3.31Å; Q877-H881 PolarHBondContact O-N 3.44Å; Q877-L909 HydrophobicContact CB-CD1 4.15Å; Q877-L909 HydrophobicContact CB-CD2 3.75Å; Q877-L909 HydrophobicContact CG-CD1 4.28Å
878	V	92.8	Very high	91.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.9	-40.1	175.9	178	0	0	0	0	111.3	M859 V874 H875 Q880 H881 A882 L906 L909 F927 V928 L931	M859-V878 HydrophobicContact CE-CB 4.08Å; M859-V878 HydrophobicContact CE-CG1 3.86Å; M859-V878 HydrophobicContact SD-CG1 4.22Å; V874-V878 WeakPolarHBondContact O-CG2 3.34Å; V874-V878 PolarHBondContact O-N 2.94Å; H875-V878 PolarHBondContact O-N 2.99Å; H875-V878 VanDerWaalsContact O-N 3.14Å; V878-Q880 VanDerWaalsContact C-N 3.34Å; V878-Q880 PolarHBondContact O-N 3.35Å; V878-H881 PolarHBondContact O-N 3.25Å; V878-A882 PolarHBondContact O-N 2.9Å; V878-L906 HydrophobicContact CG2-CD2 4.18Å; V878-L909 HydrophobicContact CG2-CD2 3.91Å; V878-F927 HydrophobicContact CG1-CB 4.2Å; V878-V928 HydrophobicContact CG2-CG2 4.01Å; V878-L931 HydrophobicContact CG1-CB 4.43Å; V878-L931 HydrophobicContact CG1-CD2 4.03Å
879	V	93.4	Very high	91.4	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.055	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-41.5	173	176.4	0	0	0	0	111.4	M859 H875 C876 A882 R883	M859-V879 HydrophobicContact CB-CG2 3.61Å; M859-V879 HydrophobicContact CE-CG2 3.92Å; M859-V879 HydrophobicContact SD-CG2 4.37Å; H875-V879 WeakPolarHBondContact O-CG2 3.46Å; H875-V879 PolarHBondContact O-N 3.25Å; C876-V879 PolarHBondContact O-N 3.27Å; V879-A882 PolarHBondContact O-N 3.5Å; V879-R883 WeakPolarHBondContact O-CG 3.46Å; V879-R883 PolarHBondContact O-N 3.02Å
880	Q	92.1	Very high	91.8	Very high	128 Å²	128	49.7 Å²	49.7	60%	0.598	24%	0.239	S	C	*	.	H	α-helix	trans	-64.7	-39.1	175.2	-77.3	-174.3	-19.5	0	0	112.7	C876 Q877 V878 R883 D884	C876-Q880 WeakPolarHBondContact O-CG 3.31Å; C876-Q880 PolarHBondContact O-N 3.12Å; Q877-Q880 PolarHBondContact O-N 3.22Å; V878-Q880 VanDerWaalsContact C-N 3.34Å; V878-Q880 PolarHBondContact O-N 3.35Å; Q880-R883 PolarHBondContact O-N 2.72Å; Q880-D884 PolarHBondContact O-N 3.35Å
881	H	94.3	Very high	92.1	Very high	37 Å²	37	50.7 Å²	50.7	17%	0.171	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-41.4	172.9	-80.7	-57.9	0	0	0	112.7	Q877 V878 R883 C885 M902 L906 L931	Q877-H881 PolarHBondContact O-CD2 3.03Å; Q877-H881 VanDerWaalsContact O-CD2 3.31Å; Q877-H881 PolarHBondContact O-N 3.44Å; V878-H881 PolarHBondContact O-N 3.25Å; H881-R883 VanDerWaalsContact C-N 3.31Å; H881-R883 PolarHBondContact O-N 3.19Å; H881-C885 VanDerWaalsContact O-CB 3.32Å; H881-C885 WeakPolarHBondContact O-CB 3.27Å; H881-C885 PolarHBondContact O-N 3.11Å; H881-M902 WeakPolarHBondContact O-CE 3.33Å; H881-L906 HydrophobicContact CB-CD2 4.38Å; H881-L931 HydrophobicContact CB-CD2 3.92Å
882	A	94.8	Very high	92.2	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-40.2	174.2	0	0	0	0	0	112	V878 V879 C885 L886 L931	V878-A882 PolarHBondContact O-N 2.9Å; V879-A882 PolarHBondContact O-N 3.5Å; A882-C885 WeakPolarHBondContact O-CB 3.48Å; A882-C885 PolarHBondContact O-N 2.94Å; A882-L886 PolarHBondContact O-N 3.1Å; A882-L931 HydrophobicContact CB-CD1 4.04Å; A882-L931 HydrophobicContact CB-CD2 4.45Å
883	R	95	Very high	92.4	Very high	98 Å²	98	50.5 Å²	50.5	37%	0.37	25%	0.254	S	S	.	.	H	α-helix	trans	-69.8	-43.9	178.4	-76.3	179.9	163.6	159	-2.1	113.9	A856 E860 V879 Q880 H881 C885 L886 Q887	A856-R883 HydrophobicContact CB-CG 4.18Å; E860-R883 IonicContact OE1-CZ 3.84Å; E860-R883 IonicContact OE1-NH1 2.87Å; E860-R883 PolarHBondContact OE1-NH1 3.24Å; E860-R883 IonicContact OE1-NH2 2.68Å; E860-R883 PolarHBondContact OE1-NH2 2.96Å; E860-R883 IonicContact OE2-CZ 2.74Å; E860-R883 IonicContact OE2-NH1 3.83Å; E860-R883 IonicContact OE2-NH2 2.64Å; E860-R883 PolarHBondContact OE2-NH2 3.34Å; V879-R883 WeakPolarHBondContact O-CG 3.46Å; V879-R883 PolarHBondContact O-N 3.02Å; Q880-R883 PolarHBondContact O-N 2.72Å; H881-R883 VanDerWaalsContact C-N 3.31Å; H881-R883 PolarHBondContact O-N 3.19Å; R883-C885 PolarHBondContact O-N 2.77Å; R883-L886 PolarHBondContact O-N 3.36Å; R883-Q887 WeakPolarHBondContact O-CB 3.49Å; R883-Q887 PolarHBondContact O-N 2.9Å
884	D	94.8	Very high	92.5	Very high	52 Å²	52	44.9 Å²	44.9	28%	0.278	23%	0.23	S	C	.	.	H	α-helix	trans	-61	-37.2	172.2	178.4	57.1	0	0	0	111	Q880 Q887 K888 Y898	Q880-D884 PolarHBondContact O-N 3.35Å; D884-Q887 PolarHBondContact O-N 3.27Å; D884-K888 WeakPolarHBondContact O-CB 3.13Å; D884-K888 PolarHBondContact O-N 2.9Å; D884-K888 WeakPolarHBondContact OD1-CE 3.35Å; D884-K888 IonicContact OD1-NZ 3.54Å; D884-K888 PolarHBondContact OD1-NZ 3.18Å; D884-K888 IonicContact OD2-NZ 3.64Å; D884-K888 PolarHBondContact OD2-NZ 3.33Å; D884-Y898 VanDerWaalsContact C-OH 3.24Å; D884-Y898 VanDerWaalsContact CG-OH 3.24Å; D884-Y898 PolarHBondContact O-OH 2.93Å; D884-Y898 VanDerWaalsContact OD2-CE2 3.26Å; D884-Y898 WeakPolarHBondContact OD2-CE2 3.48Å; D884-Y898 PolarHBondContact OD2-OH 2.84Å
885	C	94.9	Very high	92.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-47.9	175.5	-159.8	0	0	0	0	112.1	L852 H881 A882 R883 A889 Y898 M902	L852-C885 HydrophobicContact CD1-CB 3.88Å; L852-C885 VanDerWaalsContact CD1-SG 3.53Å; L852-C885 HydrophobicContact CD2-CB 4.12Å; H881-C885 VanDerWaalsContact O-CB 3.32Å; H881-C885 WeakPolarHBondContact O-CB 3.27Å; H881-C885 PolarHBondContact O-N 3.11Å; A882-C885 WeakPolarHBondContact O-CB 3.48Å; A882-C885 PolarHBondContact O-N 2.94Å; R883-C885 PolarHBondContact O-N 2.77Å; C885-A889 VanDerWaalsContact O-CB 3.26Å; C885-A889 WeakPolarHBondContact O-CB 3.32Å; C885-A889 PolarHBondContact O-N 3.48Å; C885-Y898 VanDerWaalsContact CA-OH 3.29Å; C885-Y898 WeakPolarHBondContact CA-OH 3.49Å; C885-Y898 PolarHBondContact N-OH 2.67Å; C885-Y898 VanDerWaalsContact N-OH 3.14Å; C885-M902 HydrophobicContact CB-CE 3.59Å; C885-M902 HydrophobicContact CB-SD 4.43Å
886	L	95.9	Very high	92.4	Very high	33 Å²	33	46.5 Å²	46.5	17%	0.173	24%	0.241	C	C	.	.	H	α-helix	trans	-62.4	-45.2	177.5	-179.6	58.7	0	0	0	111.2	Q849 L852 A853 A882 R883 K888 A889 L890	Q849-L886 HydrophobicContact CB-CD1 4.16Å; Q849-L886 HydrophobicContact CG-CD1 4.39Å; Q849-L886 WeakPolarHBondContact O-CD1 3.23Å; L852-L886 HydrophobicContact CB-CB 4.15Å; L852-L886 HydrophobicContact CB-CD1 4.22Å; A853-L886 HydrophobicContact CB-CD2 3.92Å; A882-L886 PolarHBondContact O-N 3.1Å; R883-L886 PolarHBondContact O-N 3.36Å; L886-K888 PolarHBondContact O-N 3.44Å; L886-A889 PolarHBondContact O-N 3.42Å; L886-L890 HydrophobicContact CD1-CD1 4.02Å; L886-L890 HydrophobicContact CD1-CG 4.17Å; L886-L890 HydrophobicContact CG-CD1 4.01Å; L886-L890 WeakPolarHBondContact O-CB 3.19Å; L886-L890 VanDerWaalsContact O-CG 3.31Å; L886-L890 WeakPolarHBondContact O-CG 3.27Å; L886-L890 PolarHBondContact O-N 3.47Å
887	Q	95	Very high	92.1	Very high	137 Å²	137	50.6 Å²	50.6	64%	0.64	25%	0.246	S	C	*	.	H	α-helix	trans	-60	-48.6	179.1	-174.2	175.7	2.1	0	0	111.7	R883 D884 L890 S891	R883-Q887 WeakPolarHBondContact O-CB 3.49Å; R883-Q887 PolarHBondContact O-N 2.9Å; D884-Q887 PolarHBondContact O-N 3.27Å; Q887-L890 PolarHBondContact O-N 3.26Å; Q887-S891 WeakPolarHBondContact O-CB 3.49Å; Q887-S891 PolarHBondContact O-N 2.71Å; Q887-S891 PolarHBondContact O-OG 3.01Å
888	K	92.9	Very high	92.1	Very high	60 Å²	60	48.9 Å²	48.9	26%	0.261	24%	0.238	S	C	.	.	H	α-helix	trans	-67.7	-33.7	177.9	-76.8	165.1	178.5	156.8	0	113	D884 L886 S891 G892 L893 V894 Y898	D884-K888 WeakPolarHBondContact O-CB 3.13Å; D884-K888 PolarHBondContact O-N 2.9Å; D884-K888 WeakPolarHBondContact OD1-CE 3.35Å; D884-K888 IonicContact OD1-NZ 3.54Å; D884-K888 PolarHBondContact OD1-NZ 3.18Å; D884-K888 IonicContact OD2-NZ 3.64Å; D884-K888 PolarHBondContact OD2-NZ 3.33Å; L886-K888 PolarHBondContact O-N 3.44Å; K888-S891 WeakPolarHBondContact CA-OG 3.4Å; K888-S891 PolarHBondContact O-OG 3.01Å; K888-G892 PolarHBondContact O-N 3.08Å; K888-G892 VanDerWaalsContact O-N 3.11Å; K888-L893 HydrophobicContact CG-CB 4.47Å; K888-L893 PolarHBondContact O-N 3.24Å; K888-V894 HydrophobicContact CB-CG1 3.88Å; K888-Y898 HydrophobicContact CB-CE1 4.39Å; K888-Y898 HydrophobicContact CD-CD1 4.35Å; K888-Y898 HydrophobicContact CD-CD2 4.08Å; K888-Y898 HydrophobicContact CD-CE1 3.87Å; K888-Y898 HydrophobicContact CD-CE2 3.59Å; K888-Y898 HydrophobicContact CD-CG 4.42Å; K888-Y898 VanDerWaalsContact CD-CZ 3.45Å
889	A	92.6	Very high	92.1	Very high	3 Å²	3	49 Å²	49	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-65.2	-42.5	173.9	0	0	0	0	0	111.3	M848 Q849 C885 L886 G892 V894	M848-A889 HydrophobicContact CE-CB 3.6Å; Q849-A889 HydrophobicContact CG-CB 3.86Å; Q849-A889 PolarHBondContact NE2-O 2.88Å; C885-A889 VanDerWaalsContact O-CB 3.26Å; C885-A889 WeakPolarHBondContact O-CB 3.32Å; C885-A889 PolarHBondContact O-N 3.48Å; L886-A889 PolarHBondContact O-N 3.42Å; A889-G892 PolarHBondContact O-N 2.79Å; A889-V894 HydrophobicContact CB-CG1 4.23Å
890	L	91.3	Very high	91.8	Very high	97 Å²	97	53 Å²	53	51%	0.508	25%	0.253	S	S	.	.	H	α-helix	trans	-68.4	-39.3	177.8	-71.1	171.2	0	0	0	112.3	Q849 L886 Q887 G892	Q849-L890 HydrophobicContact CG-CD2 4.36Å; L886-L890 HydrophobicContact CD1-CD1 4.02Å; L886-L890 HydrophobicContact CD1-CG 4.17Å; L886-L890 HydrophobicContact CG-CD1 4.01Å; L886-L890 WeakPolarHBondContact O-CB 3.19Å; L886-L890 VanDerWaalsContact O-CG 3.31Å; L886-L890 WeakPolarHBondContact O-CG 3.27Å; L886-L890 PolarHBondContact O-N 3.47Å; Q887-L890 PolarHBondContact O-N 3.26Å; L890-G892 VanDerWaalsContact C-N 3.29Å; L890-G892 PolarHBondContact O-N 3.1Å
891	S	90.4	Very high	91.6	Very high	57 Å²	57	50.7 Å²	50.7	40%	0.399	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-5.2	178	73.8	0	0	0	0	114.7	Q887 K888 L893	Q887-S891 WeakPolarHBondContact O-CB 3.49Å; Q887-S891 PolarHBondContact O-N 2.71Å; Q887-S891 PolarHBondContact O-OG 3.01Å; K888-S891 WeakPolarHBondContact CA-OG 3.4Å; K888-S891 PolarHBondContact O-OG 3.01Å; S891-L893 WeakPolarHBondContact OG-CD1 3.42Å; S891-L893 WeakPolarHBondContact OG-CG 3.47Å
892	G	88.6	Confident	91.4	Very high	12 Å²	12	49.1 Å²	49.1	12%	0.124	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	39.9	-177.4	0	0	0	0	0	113.8	N834 K888 A889 L890	N834-G892 WeakPolarHBondContact CB-O 3.46Å; N834-G892 PolarHBondContact ND2-O 3.24Å; N834-G892 WeakPolarHBondContact OD1-CA 3.46Å; N834-G892 PolarHBondContact OD1-O 2.75Å; K888-G892 PolarHBondContact O-N 3.08Å; K888-G892 VanDerWaalsContact O-N 3.11Å; A889-G892 PolarHBondContact O-N 2.79Å; L890-G892 VanDerWaalsContact C-N 3.29Å; L890-G892 PolarHBondContact O-N 3.1Å
893	L	90.2	Very high	91.3	Very high	71 Å²	71	51.2 Å²	51.2	37%	0.372	25%	0.248	S	C	.	.			trans	-122.4	22	-179	-62	177.3	0	0	0	113.2	I830 L831 N834 K888 S891	I830-L893 HydrophobicContact CG2-CD2 4.05Å; L831-L893 HydrophobicContact CD2-CD2 3.93Å; L831-L893 HydrophobicContact CG-CD2 4.1Å; N834-L893 PolarHBondContact OD1-N 2.77Å; K888-L893 HydrophobicContact CG-CB 4.47Å; K888-L893 PolarHBondContact O-N 3.24Å; S891-L893 WeakPolarHBondContact OG-CD1 3.42Å; S891-L893 WeakPolarHBondContact OG-CG 3.47Å
894	V	91.3	Very high	90.9	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	25%	0.253	C	S	.	.			trans	-85.8	138.4	174	-75	0	0	0	0	111.2	N834 K888 A889 Y898 F899 L942	N834-V894 PolarHBondContact ND2-O 2.87Å; N834-V894 WeakPolarHBondContact OD1-CG2 3.22Å; N834-V894 PolarHBondContact OD1-N 2.96Å; N834-V894 PolarHBondContact OD1-O 3.13Å; K888-V894 HydrophobicContact CB-CG1 3.88Å; A889-V894 HydrophobicContact CB-CG1 4.23Å; V894-Y898 HydrophobicContact CG1-CD1 4.01Å; V894-Y898 HydrophobicContact CG1-CE1 4.11Å; V894-F899 HydrophobicContact CB-CE2 3.98Å; V894-F899 HydrophobicContact CB-CZ 3.93Å; V894-F899 HydrophobicContact CG1-CE2 4.46Å; V894-F899 HydrophobicContact CG1-CZ 3.95Å; V894-L942 HydrophobicContact CB-CD1 4.28Å; V894-L942 HydrophobicContact CG2-CD1 3.9Å
895	T	90.2	Very high	90.8	Very high	22 Å²	22	52.9 Å²	52.9	14%	0.135	26%	0.261	C	S	.	.			trans	-138.5	161.6	178.4	59.3	0	0	0	0	109.7	I830 R897 Y898 F899 E946	I830-T895 HydrophobicContact CD1-CG2 4.46Å; I830-T895 HydrophobicContact CG1-CG2 4.15Å; I830-T895 HydrophobicContact CG2-CG2 3.92Å; T895-R897 PolarHBondContact O-N 2.91Å; T895-Y898 PolarHBondContact O-N 3.42Å; T895-Y898 VanDerWaalsContact O-N 3.14Å; T895-Y898 PolarHBondContact OG1-N 3.08Å; T895-F899 WeakPolarHBondContact O-CD2 3.47Å; T895-F899 PolarHBondContact O-N 3.06Å; T895-E946 WeakPolarHBondContact CA-OE1 3.27Å; T895-E946 WeakPolarHBondContact CB-OE1 3.3Å
896	C	86.1	Confident	90.7	Very high	27 Å²	27	52.9 Å²	52.9	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-34.8	175.9	88.5	0	0	0	0	111	Y898 F899 Y900 L942 E943 E946	C896-Y898 PolarHBondContact O-N 3.36Å; C896-F899 PolarHBondContact O-N 2.94Å; C896-Y900 PolarHBondContact O-N 3.38Å; C896-L942 HydrophobicContact CB-CB 4.46Å; C896-E943 HydrophobicContact CB-CB 3.93Å; C896-E946 PolarHBondContact N-OE1 3.05Å; C896-E946 PolarHBondContact N-OE2 3.2Å; C896-E946 PolarHBondContact SG-OE2 3.13Å
897	R	84.7	Confident	90.4	Very high	158 Å²	158	54.6 Å²	54.6	60%	0.596	28%	0.275	S	S	*	.	H	α-helix	trans	-58.2	-46.4	174.1	-174.3	70.9	-162.6	178.8	10.4	112.3	T895 Y900 E901	T895-R897 PolarHBondContact O-N 2.91Å; R897-Y900 PolarHBondContact O-N 2.94Å; R897-E901 IonicContact CZ-OE1 3.58Å; R897-E901 IonicContact NE-OE1 2.96Å; R897-E901 PolarHBondContact NE-OE1 3.01Å; R897-E901 IonicContact NH2-OE1 2.68Å; R897-E901 PolarHBondContact NH2-OE1 2.9Å; R897-E901 PolarHBondContact O-N 3.11Å
898	Y	92.7	Very high	90.2	Very high	25 Å²	25	54.5 Å²	54.5	10%	0.098	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-43.7	179	169.5	-113.5	0	0	0	112.3	D884 C885 K888 V894 T895 C896 Y900 E901 M902	D884-Y898 VanDerWaalsContact C-OH 3.24Å; D884-Y898 VanDerWaalsContact CG-OH 3.24Å; D884-Y898 PolarHBondContact O-OH 2.93Å; D884-Y898 VanDerWaalsContact OD2-CE2 3.26Å; D884-Y898 WeakPolarHBondContact OD2-CE2 3.48Å; D884-Y898 PolarHBondContact OD2-OH 2.84Å; C885-Y898 VanDerWaalsContact CA-OH 3.29Å; C885-Y898 WeakPolarHBondContact CA-OH 3.49Å; C885-Y898 PolarHBondContact N-OH 2.67Å; C885-Y898 VanDerWaalsContact N-OH 3.14Å; K888-Y898 HydrophobicContact CB-CE1 4.39Å; K888-Y898 HydrophobicContact CD-CD1 4.35Å; K888-Y898 HydrophobicContact CD-CD2 4.08Å; K888-Y898 HydrophobicContact CD-CE1 3.87Å; K888-Y898 HydrophobicContact CD-CE2 3.59Å; K888-Y898 HydrophobicContact CD-CG 4.42Å; K888-Y898 VanDerWaalsContact CD-CZ 3.45Å; V894-Y898 HydrophobicContact CG1-CD1 4.01Å; V894-Y898 HydrophobicContact CG1-CE1 4.11Å; T895-Y898 PolarHBondContact O-N 3.42Å; T895-Y898 VanDerWaalsContact O-N 3.14Å; T895-Y898 PolarHBondContact OG1-N 3.08Å; C896-Y898 PolarHBondContact O-N 3.36Å; Y898-Y900 VanDerWaalsContact C-N 3.33Å; Y898-Y900 PolarHBondContact O-N 2.98Å; Y898-E901 PolarHBondContact O-N 3.16Å; Y898-M902 HydrophobicContact CE1-CE 3.83Å; Y898-M902 HydrophobicContact CE2-CE 4.17Å; Y898-M902 VanDerWaalsContact CZ-CE 3.41Å; Y898-M902 WeakPolarHBondContact O-CB 3.28Å; Y898-M902 PolarHBondContact O-N 3.37Å; Y898-M902 WeakPolarHBondContact OH-CE 3.43Å
899	F	93	Very high	90.1	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.013	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-35.1	176.3	-66.5	-61.8	0	0	0	112.7	M848 V894 T895 C896 T903 I935 P938 A939 L942	M848-F899 HydrophobicContact SD-CE1 4.38Å; M848-F899 HydrophobicContact SD-CZ 3.93Å; V894-F899 HydrophobicContact CB-CE2 3.98Å; V894-F899 HydrophobicContact CB-CZ 3.93Å; V894-F899 HydrophobicContact CG1-CE2 4.46Å; V894-F899 HydrophobicContact CG1-CZ 3.95Å; T895-F899 WeakPolarHBondContact O-CD2 3.47Å; T895-F899 PolarHBondContact O-N 3.06Å; C896-F899 PolarHBondContact O-N 2.94Å; F899-T903 WeakPolarHBondContact O-CB 3.38Å; F899-T903 PolarHBondContact O-N 3.47Å; F899-T903 PolarHBondContact O-OG1 3.31Å; F899-I935 HydrophobicContact CD1-CB 3.74Å; F899-I935 HydrophobicContact CD1-CD1 4.05Å; F899-I935 HydrophobicContact CD1-CG1 4.36Å; F899-I935 HydrophobicContact CD1-CG2 4.09Å; F899-I935 HydrophobicContact CE1-CB 3.79Å; F899-I935 HydrophobicContact CE1-CG2 3.84Å; F899-P938 HydrophobicContact CE2-CB 4.33Å; F899-P938 HydrophobicContact CZ-CB 4.1Å; F899-A939 HydrophobicContact CB-CB 3.67Å; F899-A939 HydrophobicContact CD2-CB 3.69Å; F899-A939 HydrophobicContact CE2-CB 4.46Å; F899-A939 HydrophobicContact CG-CB 3.76Å; F899-L942 HydrophobicContact CE2-CD1 3.81Å
900	Y	86.8	Confident	90	Very high	92 Å²	92	53 Å²	53	36%	0.361	27%	0.268	S	S	.	.	H	α-helix	trans	-63.4	-45.4	173.3	-109.8	-74.1	0	0	0	112.3	C896 R897 Y898 T903 E904	C896-Y900 PolarHBondContact O-N 3.38Å; R897-Y900 PolarHBondContact O-N 2.94Å; Y898-Y900 VanDerWaalsContact C-N 3.33Å; Y898-Y900 PolarHBondContact O-N 2.98Å; Y900-T903 WeakPolarHBondContact O-CB 3.34Å; Y900-T903 PolarHBondContact O-N 3.03Å; Y900-E904 PolarHBondContact O-N 3.23Å
901	E	88.8	Confident	89.8	Confident	80 Å²	80	52.9 Å²	52.9	37%	0.374	27%	0.265	S	S	.	.	H	α-helix	trans	-69.3	-36.1	178.6	-71.4	176.1	-179.4	0	0	111.8	R897 Y898 E904 N905	R897-E901 IonicContact CZ-OE1 3.58Å; R897-E901 IonicContact NE-OE1 2.96Å; R897-E901 PolarHBondContact NE-OE1 3.01Å; R897-E901 IonicContact NH2-OE1 2.68Å; R897-E901 PolarHBondContact NH2-OE1 2.9Å; R897-E901 PolarHBondContact O-N 3.11Å; Y898-E901 PolarHBondContact O-N 3.16Å; E901-E904 PolarHBondContact O-N 3.47Å; E901-N905 PolarHBondContact O-N 2.9Å; E901-N905 PolarHBondContact O-ND2 2.96Å
902	M	90.4	Very high	89.7	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.015	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-45.1	168.8	-176.9	179.9	-72.8	0	0	111.7	H881 C885 Y898 E904 N905 L906 L931 I935	H881-M902 WeakPolarHBondContact O-CE 3.33Å; C885-M902 HydrophobicContact CB-CE 3.59Å; C885-M902 HydrophobicContact CB-SD 4.43Å; Y898-M902 HydrophobicContact CE1-CE 3.83Å; Y898-M902 HydrophobicContact CE2-CE 4.17Å; Y898-M902 VanDerWaalsContact CZ-CE 3.41Å; Y898-M902 WeakPolarHBondContact O-CB 3.28Å; Y898-M902 PolarHBondContact O-N 3.37Å; Y898-M902 WeakPolarHBondContact OH-CE 3.43Å; M902-E904 PolarHBondContact O-N 3.01Å; M902-N905 PolarHBondContact O-N 3.42Å; M902-L906 HydrophobicContact CG-CD1 3.88Å; M902-L906 HydrophobicContact CG-CG 4.33Å; M902-L906 WeakPolarHBondContact O-CG 3.29Å; M902-L906 PolarHBondContact O-N 3.39Å; M902-L931 HydrophobicContact SD-CD2 4.5Å; M902-I935 HydrophobicContact CG-CD1 4.47Å; M902-I935 HydrophobicContact SD-CD1 3.79Å
903	T	90.8	Very high	89.7	Confident	45 Å²	45	53.2 Å²	53.2	28%	0.276	26%	0.259	S	S	.	.	H	α-helix	trans	-61.5	-43	179.4	-57.7	0	0	0	0	111.3	F899 Y900 L906 S907 L932	F899-T903 WeakPolarHBondContact O-CB 3.38Å; F899-T903 PolarHBondContact O-N 3.47Å; F899-T903 PolarHBondContact O-OG1 3.31Å; Y900-T903 WeakPolarHBondContact O-CB 3.34Å; Y900-T903 PolarHBondContact O-N 3.03Å; T903-L906 PolarHBondContact O-N 3.41Å; T903-S907 PolarHBondContact O-N 2.81Å; T903-S907 PolarHBondContact O-OG 2.54Å; T903-L932 HydrophobicContact CG2-CD2 3.98Å
904	E	88.5	Confident	89.5	Confident	102 Å²	102	54.4 Å²	54.4	48%	0.477	26%	0.259	S	S	.	.	H	α-helix	trans	-62.4	-43	173.8	-73.1	-161.1	146.8	0	0	113.1	Y900 E901 M902 L906 S907 K908 K994	Y900-E904 PolarHBondContact O-N 3.23Å; E901-E904 PolarHBondContact O-N 3.47Å; M902-E904 PolarHBondContact O-N 3.01Å; E904-L906 VanDerWaalsContact C-N 3.34Å; E904-L906 PolarHBondContact O-N 2.91Å; E904-S907 PolarHBondContact O-N 2.67Å; E904-K908 VanDerWaalsContact O-CB 3.24Å; E904-K908 WeakPolarHBondContact O-CB 3.47Å; E904-K908 PolarHBondContact O-N 2.95Å; E904-K994 VanDerWaalsContact CD-NZ 3.34Å; E904-K994 IonicContact OE1-NZ 3.62Å; E904-K994 PolarHBondContact OE1-NZ 2.71Å
905	N	92.6	Very high	89.1	Confident	83 Å²	83	59.1 Å²	59.1	44%	0.444	29%	0.288	S	S	.	.	H	α-helix	trans	-63	-41.2	177.7	-73.5	-48.8	0	0	0	111.6	E901 M902 K908 L909	E901-N905 PolarHBondContact O-N 2.9Å; E901-N905 PolarHBondContact O-ND2 2.96Å; M902-N905 PolarHBondContact O-N 3.42Å; N905-K908 PolarHBondContact O-N 3.42Å; N905-L909 WeakPolarHBondContact O-CB 3.45Å; N905-L909 PolarHBondContact O-N 3.31Å
906	L	92.2	Very high	89	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.4	-44.6	176.5	-68.1	170	0	0	0	112.4	V878 H881 M902 T903 E904 K908 L909 V910 V928 L931 L932	V878-L906 HydrophobicContact CG2-CD2 4.18Å; H881-L906 HydrophobicContact CB-CD2 4.38Å; M902-L906 HydrophobicContact CG-CD1 3.88Å; M902-L906 HydrophobicContact CG-CG 4.33Å; M902-L906 WeakPolarHBondContact O-CG 3.29Å; M902-L906 PolarHBondContact O-N 3.39Å; T903-L906 PolarHBondContact O-N 3.41Å; E904-L906 VanDerWaalsContact C-N 3.34Å; E904-L906 PolarHBondContact O-N 2.91Å; L906-K908 VanDerWaalsContact C-N 3.29Å; L906-K908 PolarHBondContact O-N 2.8Å; L906-L909 WeakPolarHBondContact O-CB 3.47Å; L906-L909 PolarHBondContact O-N 3.14Å; L906-V910 WeakPolarHBondContact O-CG2 3.31Å; L906-V910 PolarHBondContact O-N 3.42Å; L906-V910 VanDerWaalsContact O-N 3.08Å; L906-V928 HydrophobicContact CB-CG1 4Å; L906-V928 HydrophobicContact CD2-CG2 4.34Å; L906-L931 HydrophobicContact CD1-CD2 3.87Å; L906-L931 HydrophobicContact CD1-CG 4.25Å; L906-L931 HydrophobicContact CD2-CD2 4.16Å; L906-L932 HydrophobicContact CD1-CD2 3.84Å; L906-L932 HydrophobicContact CD1-CG 4.25Å
907	S	89.3	Confident	88.9	Confident	68 Å²	68	66.9 Å²	66.9	48%	0.476	31%	0.313	S	S	.	.	H	α-helix	trans	-59.7	-40.5	173.8	-64.5	0	0	0	0	112	T903 E904 L909 V910 E911	T903-S907 PolarHBondContact O-N 2.81Å; T903-S907 PolarHBondContact O-OG 2.54Å; E904-S907 PolarHBondContact O-N 2.67Å; S907-L909 VanDerWaalsContact C-N 3.35Å; S907-V910 PolarHBondContact O-N 2.74Å; S907-E911 PolarHBondContact O-N 3.39Å
908	K	90.5	Very high	88.8	Confident	136 Å²	136	62.6 Å²	62.6	59%	0.591	31%	0.307	S	S	*	.	H	α-helix	trans	-68.6	-34	177.4	-167.9	171.4	-171.2	168.6	0	112.6	E904 N905 L906 V910 E911 D912	E904-K908 VanDerWaalsContact O-CB 3.24Å; E904-K908 WeakPolarHBondContact O-CB 3.47Å; E904-K908 PolarHBondContact O-N 2.95Å; N905-K908 PolarHBondContact O-N 3.42Å; L906-K908 VanDerWaalsContact C-N 3.29Å; L906-K908 PolarHBondContact O-N 2.8Å; K908-V910 VanDerWaalsContact C-N 3.34Å; K908-E911 PolarHBondContact O-N 3.31Å; K908-D912 WeakPolarHBondContact O-CB 3.43Å; K908-D912 PolarHBondContact O-N 3.01Å
909	L	90.9	Very high	88.3	Confident	14 Å²	14	67 Å²	67	7%	0.073	33%	0.333	C	S	.	.	H	α-helix	trans	-65.8	-35.8	173.9	-170.8	68.4	0	0	0	111.8	V874 Q877 V878 N905 L906 S907 T913	V874-L909 HydrophobicContact CG1-CD1 4.42Å; V874-L909 HydrophobicContact CG1-CD2 3.9Å; V874-L909 HydrophobicContact CG1-CG 3.86Å; V874-L909 HydrophobicContact CG2-CD1 4.27Å; V874-L909 HydrophobicContact CG2-CG 4.48Å; Q877-L909 HydrophobicContact CB-CD1 4.15Å; Q877-L909 HydrophobicContact CB-CD2 3.75Å; Q877-L909 HydrophobicContact CG-CD1 4.28Å; V878-L909 HydrophobicContact CG2-CD2 3.91Å; N905-L909 WeakPolarHBondContact O-CB 3.45Å; N905-L909 PolarHBondContact O-N 3.31Å; L906-L909 WeakPolarHBondContact O-CB 3.47Å; L906-L909 PolarHBondContact O-N 3.14Å; S907-L909 VanDerWaalsContact C-N 3.35Å; L909-T913 WeakPolarHBondContact O-CB 3.39Å; L909-T913 PolarHBondContact O-N 2.93Å; L909-T913 PolarHBondContact O-OG1 2.59Å
910	V	90.9	Very high	87.9	Confident	18 Å²	18	67.3 Å²	67.3	11%	0.109	34%	0.335	C	S	.	.	H	α-helix	trans	-63.4	-45.9	170.8	177.9	0	0	0	0	110.9	L906 S907 K908 T913 R914 I921 V924 V925 V928	L906-V910 WeakPolarHBondContact O-CG2 3.31Å; L906-V910 PolarHBondContact O-N 3.42Å; L906-V910 VanDerWaalsContact O-N 3.08Å; S907-V910 PolarHBondContact O-N 2.74Å; K908-V910 VanDerWaalsContact C-N 3.34Å; V910-T913 WeakPolarHBondContact O-CA 3.45Å; V910-T913 WeakPolarHBondContact O-CB 3.38Å; V910-T913 PolarHBondContact O-N 2.86Å; V910-T913 VanDerWaalsContact O-N 3.09Å; V910-R914 PolarHBondContact O-N 3.11Å; V910-I921 HydrophobicContact CG1-CD1 3.94Å; V910-I921 WeakPolarHBondContact O-CD1 3.34Å; V910-V924 HydrophobicContact CG2-CG1 4.19Å; V910-V925 HydrophobicContact CG1-CG2 3.81Å; V910-V925 HydrophobicContact CG2-CG2 4.43Å; V910-V928 HydrophobicContact CG2-CB 4.29Å; V910-V928 HydrophobicContact CG2-CG1 4.2Å; V910-V928 HydrophobicContact CG2-CG2 3.95Å
911	E	87.6	Confident	88	Confident	93 Å²	93	64 Å²	64	44%	0.435	32%	0.323	S	S	.	.	H	α-helix	trans	-71.4	-38.1	-178.7	-165.7	57.7	-153.1	0	0	113.1	S907 K908 T913 R914 T915	S907-E911 PolarHBondContact O-N 3.39Å; K908-E911 PolarHBondContact O-N 3.31Å; E911-T913 PolarHBondContact O-N 3.48Å; E911-R914 WeakPolarHBondContact O-CB 3.48Å; E911-R914 PolarHBondContact O-N 2.89Å; E911-R914 VanDerWaalsContact O-N 3.16Å; E911-R914 VanDerWaalsContact OE2-CD 3.27Å; E911-R914 WeakPolarHBondContact OE2-CD 3.32Å; E911-T915 PolarHBondContact O-N 3.09Å; E911-T915 VanDerWaalsContact O-N 3.15Å; E911-T915 PolarHBondContact O-OG1 3.27Å
912	D	87.3	Confident	87.8	Confident	76 Å²	76	64.4 Å²	64.4	41%	0.406	33%	0.333	S	S	.	.	H	α-helix	trans	-64.7	-20	169.6	-84	-11.7	0	0	0	112	K908 T915 R916	K908-D912 WeakPolarHBondContact O-CB 3.43Å; K908-D912 PolarHBondContact O-N 3.01Å; D912-T915 PolarHBondContact O-OG1 3.01Å; D912-R916 WeakPolarHBondContact O-CD 3.21Å; D912-R916 WeakPolarHBondContact O-CG 3.46Å
913	T	88.1	Confident	87.5	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-78.7	-48.1	168.5	-54.7	0	0	0	0	110.6	V870 V874 L909 V910 E911 T915 R916 D917 S920 I921 V924	V870-T913 HydrophobicContact CG1-CG2 4.19Å; V874-T913 WeakPolarHBondContact CG2-OG1 3.48Å; L909-T913 WeakPolarHBondContact O-CB 3.39Å; L909-T913 PolarHBondContact O-N 2.93Å; L909-T913 PolarHBondContact O-OG1 2.59Å; V910-T913 WeakPolarHBondContact O-CA 3.45Å; V910-T913 WeakPolarHBondContact O-CB 3.38Å; V910-T913 PolarHBondContact O-N 2.86Å; V910-T913 VanDerWaalsContact O-N 3.09Å; E911-T913 PolarHBondContact O-N 3.48Å; T913-T915 PolarHBondContact O-N 3.46Å; T913-R916 PolarHBondContact O-N 2.68Å; T913-D917 PolarHBondContact O-N 2.88Å; T913-S920 WeakPolarHBondContact CG2-OG 3.49Å; T913-I921 HydrophobicContact CG2-CD1 3.98Å; T913-I921 HydrophobicContact CG2-CG1 4.24Å; T913-V924 HydrophobicContact CG2-CB 4.36Å; T913-V924 HydrophobicContact CG2-CG1 4.46Å; T913-V924 HydrophobicContact CG2-CG2 3.95Å
914	R	85.8	Confident	87.3	Confident	97 Å²	97	65.3 Å²	65.3	37%	0.366	34%	0.336	S	S	.	.	H	α-helix	trans	-55	-37.5	-176.1	-163.6	-173.6	-161.1	108.4	10.7	112.4	V910 E911 R916 I921 D999	V910-R914 PolarHBondContact O-N 3.11Å; E911-R914 WeakPolarHBondContact O-CB 3.48Å; E911-R914 PolarHBondContact O-N 2.89Å; E911-R914 VanDerWaalsContact O-N 3.16Å; E911-R914 VanDerWaalsContact OE2-CD 3.27Å; E911-R914 WeakPolarHBondContact OE2-CD 3.32Å; R914-R916 VanDerWaalsContact C-N 3.34Å; R914-I921 HydrophobicContact CB-CD1 3.85Å; R914-I921 HydrophobicContact CB-CG1 4.32Å; R914-I921 HydrophobicContact CG-CD1 4.36Å; R914-I921 HydrophobicContact CG-CG1 4.5Å; R914-D999 IonicContact CZ-OD1 3.38Å; R914-D999 VanDerWaalsContact CZ-OD1 3.25Å; R914-D999 VanDerWaalsContact NH1-CG 3.3Å; R914-D999 IonicContact NH1-OD1 3.38Å; R914-D999 PolarHBondContact NH1-OD1 3.49Å; R914-D999 IonicContact NH1-OD2 3.86Å; R914-D999 PolarHBondContact NH1-OD2 3.47Å; R914-D999 IonicContact NH2-OD1 3.26Å; R914-D999 PolarHBondContact NH2-OD1 3.05Å
915	T	84.7	Confident	87.3	Confident	100 Å²	100	61.2 Å²	61.2	61%	0.613	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-4.6	179.4	52.1	0	0	0	0	114.7	E911 D912 T913	E911-T915 PolarHBondContact O-N 3.09Å; E911-T915 VanDerWaalsContact O-N 3.15Å; E911-T915 PolarHBondContact O-OG1 3.27Å; D912-T915 PolarHBondContact O-OG1 3.01Å; T913-T915 PolarHBondContact O-N 3.46Å
916	R	87	Confident	87	Confident	179 Å²	179	60.9 Å²	60.9	68%	0.675	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	-39.2	-176.4	-68.3	-178.5	-177.6	-142.8	-1	114.4	V870 D912 T913 R914	V870-R916 HydrophobicContact CG1-CB 4.28Å; V870-R916 HydrophobicContact CG2-CB 4.35Å; D912-R916 WeakPolarHBondContact O-CD 3.21Å; D912-R916 WeakPolarHBondContact O-CG 3.46Å; T913-R916 PolarHBondContact O-N 2.68Å; R914-R916 VanDerWaalsContact C-N 3.34Å
917	D	84.3	Confident	86.9	Confident	33 Å²	33	61.4 Å²	61.4	18%	0.176	32%	0.321	C	S	.	.			trans	-156.3	92.2	-173.5	178.7	-11.5	0	0	0	108.9	S868 V870 T913 D919 S920	S868-D917 WeakPolarHBondContact CB-OD2 3.42Å; S868-D917 PolarHBondContact OG-OD2 3.31Å; V870-D917 HydrophobicContact CB-CB 3.83Å; V870-D917 HydrophobicContact CG1-CB 4.06Å; V870-D917 HydrophobicContact CG2-CB 3.87Å; T913-D917 PolarHBondContact O-N 2.88Å; D917-D919 PolarHBondContact O-N 3.31Å; D917-D919 PolarHBondContact OD1-N 2.91Å; D917-D919 VanDerWaalsContact OD1-N 3.12Å; D917-S920 VanDerWaalsContact CG-OG 3.32Å; D917-S920 PolarHBondContact O-N 2.82Å; D917-S920 PolarHBondContact O-OG 3.16Å; D917-S920 PolarHBondContact OD1-N 2.9Å; D917-S920 WeakPolarHBondContact OD2-CB 3.37Å
918	S	82.7	Confident	87	Confident	68 Å²	68	58.5 Å²	58.5	48%	0.476	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-61.6	-27.8	-179.4	56.6	0	0	0	0	113.4	I921	S918-I921 WeakPolarHBondContact O-CB 3.49Å; S918-I921 PolarHBondContact O-N 2.89Å
919	D	81.7	Confident	86.9	Confident	118 Å²	118	57.1 Å²	57.1	63%	0.631	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-86.8	-18.3	-168.9	-59.8	-6.6	0	0	0	110.3	D917 P922 K1004	D917-D919 PolarHBondContact O-N 3.31Å; D917-D919 PolarHBondContact OD1-N 2.91Å; D917-D919 VanDerWaalsContact OD1-N 3.12Å; D919-P922 WeakPolarHBondContact O-CD 3.31Å; D919-K1004 IonicContact OD1-NZ 3.9Å
920	S	85.8	Confident	86.9	Confident	8 Å²	8	60.7 Å²	60.7	6%	0.056	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-78.1	-16.4	167.9	71.8	0	0	0	0	115.7	T913 D917 L923 V924	T913-S920 WeakPolarHBondContact CG2-OG 3.49Å; D917-S920 VanDerWaalsContact CG-OG 3.32Å; D917-S920 PolarHBondContact O-N 2.82Å; D917-S920 PolarHBondContact O-OG 3.16Å; D917-S920 PolarHBondContact OD1-N 2.9Å; D917-S920 WeakPolarHBondContact OD2-CB 3.37Å; S920-L923 WeakPolarHBondContact O-CB 3.25Å; S920-L923 PolarHBondContact O-N 3.45Å; S920-V924 PolarHBondContact O-N 3.42Å; S920-V924 VanDerWaalsContact O-N 3.15Å
921	I	88.1	Confident	87	Confident	24 Å²	24	59.9 Å²	59.9	12%	0.123	30%	0.299	C	S	.	.	H	α-helix	trans	-53.4	-45.9	-175.8	-81.7	-75	0	0	0	114.3	V910 T913 R914 S918 L923 V924 V925	V910-I921 HydrophobicContact CG1-CD1 3.94Å; V910-I921 WeakPolarHBondContact O-CD1 3.34Å; T913-I921 HydrophobicContact CG2-CD1 3.98Å; T913-I921 HydrophobicContact CG2-CG1 4.24Å; R914-I921 HydrophobicContact CB-CD1 3.85Å; R914-I921 HydrophobicContact CB-CG1 4.32Å; R914-I921 HydrophobicContact CG-CD1 4.36Å; R914-I921 HydrophobicContact CG-CG1 4.5Å; S918-I921 WeakPolarHBondContact O-CB 3.49Å; S918-I921 PolarHBondContact O-N 2.89Å; I921-L923 PolarHBondContact O-N 2.97Å; I921-V924 PolarHBondContact O-N 3.41Å; I921-V925 HydrophobicContact CG2-CG2 4.11Å; I921-V925 WeakPolarHBondContact O-CB 3.44Å; I921-V925 WeakPolarHBondContact O-CG2 3.15Å; I921-V925 PolarHBondContact O-N 3.17Å
922	P	83.6	Confident	87.1	Confident	87 Å²	87	57.6 Å²	57.6	57%	0.565	29%	0.289	S	S	*	.	H	α-helix	trans	-60.4	-35.1	-178.1	-24.8	35.3	0	0	0	113.1	D919 T926	D919-P922 WeakPolarHBondContact O-CD 3.31Å; P922-T926 PolarHBondContact O-N 3.32Å; P922-T926 PolarHBondContact O-OG1 3.08Å
923	L	85	Confident	87.1	Confident	67 Å²	67	60.3 Å²	60.3	35%	0.351	30%	0.303	S	S	.	.	H	α-helix	trans	-70.2	-50.1	176.9	-138.1	78.6	0	0	0	110.6	W867 S920 I921 V925 T926 F927	W867-L923 HydrophobicContact CD2-CD2 3.53Å; W867-L923 HydrophobicContact CE3-CD2 3.73Å; W867-L923 HydrophobicContact CG-CD2 4.03Å; W867-L923 HydrophobicContact CH2-CD2 4.21Å; W867-L923 HydrophobicContact CZ2-CD2 4Å; W867-L923 HydrophobicContact CZ3-CD2 4.06Å; S920-L923 WeakPolarHBondContact O-CB 3.25Å; S920-L923 PolarHBondContact O-N 3.45Å; I921-L923 PolarHBondContact O-N 2.97Å; L923-V925 PolarHBondContact O-N 2.87Å; L923-T926 WeakPolarHBondContact O-CB 3.46Å; L923-T926 PolarHBondContact O-N 3.46Å; L923-T926 VanDerWaalsContact O-N 3.11Å; L923-F927 HydrophobicContact CB-CE2 4.34Å; L923-F927 HydrophobicContact CD2-CE2 3.97Å; L923-F927 HydrophobicContact CD2-CZ 4.17Å; L923-F927 HydrophobicContact CG-CE2 3.86Å; L923-F927 HydrophobicContact CG-CZ 4.02Å; L923-F927 VanDerWaalsContact O-CD2 3.23Å; L923-F927 WeakPolarHBondContact O-CD2 3.36Å; L923-F927 PolarHBondContact O-N 2.87Å
924	V	86.1	Confident	87.2	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-60.7	-46.9	-179	165.8	0	0	0	0	112.2	V874 V910 T913 S920 I921 T926 F927 V928	V874-V924 HydrophobicContact CB-CG2 3.93Å; V874-V924 HydrophobicContact CG1-CB 4.09Å; V874-V924 HydrophobicContact CG1-CG1 3.51Å; V874-V924 HydrophobicContact CG1-CG2 3.47Å; V874-V924 VanDerWaalsContact CG1-CG2 3.47Å; V910-V924 HydrophobicContact CG2-CG1 4.19Å; T913-V924 HydrophobicContact CG2-CB 4.36Å; T913-V924 HydrophobicContact CG2-CG1 4.46Å; T913-V924 HydrophobicContact CG2-CG2 3.95Å; S920-V924 PolarHBondContact O-N 3.42Å; S920-V924 VanDerWaalsContact O-N 3.15Å; I921-V924 PolarHBondContact O-N 3.41Å; V924-T926 PolarHBondContact O-N 3.33Å; V924-F927 PolarHBondContact O-N 3.31Å; V924-V928 HydrophobicContact CG1-CG2 4.42Å; V924-V928 WeakPolarHBondContact O-CG2 3.24Å; V924-V928 PolarHBondContact O-N 3.03Å
925	V	88.4	Confident	87.4	Confident	16 Å²	16	56.9 Å²	56.9	10%	0.097	29%	0.292	C	S	.	.	H	α-helix	trans	-62.5	-29.7	177.4	171.9	0	0	0	0	111.3	V910 I921 L923 R929	V910-V925 HydrophobicContact CG1-CG2 3.81Å; V910-V925 HydrophobicContact CG2-CG2 4.43Å; I921-V925 HydrophobicContact CG2-CG2 4.11Å; I921-V925 WeakPolarHBondContact O-CB 3.44Å; I921-V925 WeakPolarHBondContact O-CG2 3.15Å; I921-V925 PolarHBondContact O-N 3.17Å; L923-V925 PolarHBondContact O-N 2.87Å; V925-R929 HydrophobicContact CG1-CG 4.36Å; V925-R929 VanDerWaalsContact O-CB 3.29Å; V925-R929 WeakPolarHBondContact O-CB 3.47Å; V925-R929 VanDerWaalsContact O-CG 3.28Å; V925-R929 WeakPolarHBondContact O-CG 3.44Å; V925-R929 PolarHBondContact O-N 3.4Å
926	T	87.5	Confident	87.3	Confident	75 Å²	75	54.7 Å²	54.7	46%	0.46	28%	0.284	S	S	.	.	H	α-helix	trans	-68.7	-47.1	175.8	-60.4	0	0	0	0	111.6	P922 L923 V924 R929 R930	P922-T926 PolarHBondContact O-N 3.32Å; P922-T926 PolarHBondContact O-OG1 3.08Å; L923-T926 WeakPolarHBondContact O-CB 3.46Å; L923-T926 PolarHBondContact O-N 3.46Å; L923-T926 VanDerWaalsContact O-N 3.11Å; V924-T926 PolarHBondContact O-N 3.33Å; T926-R929 PolarHBondContact O-N 2.96Å; T926-R930 WeakPolarHBondContact O-CG 3.39Å; T926-R930 PolarHBondContact O-N 3.47Å; T926-R930 VanDerWaalsContact O-N 3.1Å
927	F	88.9	Confident	87.1	Confident	11 Å²	11	51.1 Å²	51.1	5%	0.048	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-44.7	175.7	-56.5	-51.4	0	0	0	112.3	M859 M862 W867 H875 V878 L923 V924 R929 R930 L931	M859-F927 HydrophobicContact CE-CB 3.8Å; M859-F927 HydrophobicContact CE-CD1 3.72Å; M859-F927 HydrophobicContact CE-CD2 4.42Å; M859-F927 HydrophobicContact CE-CE1 4.43Å; M859-F927 HydrophobicContact CE-CG 3.73Å; M859-F927 HydrophobicContact SD-CD1 4.36Å; M862-F927 HydrophobicContact SD-CE1 3.73Å; M862-F927 HydrophobicContact SD-CZ 4.13Å; W867-F927 HydrophobicContact CH2-CE1 4.42Å; W867-F927 HydrophobicContact CH2-CE2 4.08Å; W867-F927 AromaticContact CH2-CZ 3.48Å; W867-F927 HydrophobicContact CH2-CZ 3.48Å; W867-F927 VanDerWaalsContact CH2-CZ 3.48Å; W867-F927 HydrophobicContact CZ2-CZ 4.29Å; W867-F927 AromaticContact CZ3-CE2 3.9Å; W867-F927 HydrophobicContact CZ3-CE2 3.9Å; W867-F927 AromaticContact CZ3-CZ 3.79Å; W867-F927 HydrophobicContact CZ3-CZ 3.79Å; H875-F927 AromaticContact CD2-CE2 3.95Å; V878-F927 HydrophobicContact CG1-CB 4.2Å; L923-F927 HydrophobicContact CB-CE2 4.34Å; L923-F927 HydrophobicContact CD2-CE2 3.97Å; L923-F927 HydrophobicContact CD2-CZ 4.17Å; L923-F927 HydrophobicContact CG-CE2 3.86Å; L923-F927 HydrophobicContact CG-CZ 4.02Å; L923-F927 VanDerWaalsContact O-CD2 3.23Å; L923-F927 WeakPolarHBondContact O-CD2 3.36Å; L923-F927 PolarHBondContact O-N 2.87Å; V924-F927 PolarHBondContact O-N 3.31Å; F927-R929 PolarHBondContact O-N 3.48Å; F927-R930 PolarHBondContact O-N 2.98Å; F927-L931 PolarHBondContact O-N 2.6Å; F927-L931 VanDerWaalsContact O-N 3.12Å
928	V	91.3	Very high	87.1	Confident	8 Å²	8	49.8 Å²	49.8	5%	0.048	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-43.6	178.4	170	0	0	0	0	111.1	V878 L906 V910 V924 R930 L931 L932	V878-V928 HydrophobicContact CG2-CG2 4.01Å; L906-V928 HydrophobicContact CB-CG1 4Å; L906-V928 HydrophobicContact CD2-CG2 4.34Å; V910-V928 HydrophobicContact CG2-CB 4.29Å; V910-V928 HydrophobicContact CG2-CG1 4.2Å; V910-V928 HydrophobicContact CG2-CG2 3.95Å; V924-V928 HydrophobicContact CG1-CG2 4.42Å; V924-V928 WeakPolarHBondContact O-CG2 3.24Å; V924-V928 PolarHBondContact O-N 3.03Å; V928-R930 PolarHBondContact O-N 3.07Å; V928-L931 PolarHBondContact O-N 2.9Å; V928-L932 HydrophobicContact CG1-CD1 3.72Å; V928-L932 HydrophobicContact CG1-CG 4.2Å; V928-L932 WeakPolarHBondContact O-CB 3.45Å; V928-L932 VanDerWaalsContact O-CG 3.25Å; V928-L932 WeakPolarHBondContact O-CG 3.46Å; V928-L932 PolarHBondContact O-N 3.16Å
929	R	89	Confident	87.3	Confident	106 Å²	106	47.5 Å²	47.5	40%	0.4	25%	0.248	S	C	.	.	H	α-helix	trans	-59.6	-42.4	174	-81.7	175.9	173.1	147.6	-2.2	112.4	V925 T926 F927 L932 L933 L997	V925-R929 HydrophobicContact CG1-CG 4.36Å; V925-R929 VanDerWaalsContact O-CB 3.29Å; V925-R929 WeakPolarHBondContact O-CB 3.47Å; V925-R929 VanDerWaalsContact O-CG 3.28Å; V925-R929 WeakPolarHBondContact O-CG 3.44Å; V925-R929 PolarHBondContact O-N 3.4Å; T926-R929 PolarHBondContact O-N 2.96Å; F927-R929 PolarHBondContact O-N 3.48Å; R929-L932 PolarHBondContact O-N 2.99Å; R929-L933 WeakPolarHBondContact O-CB 3.38Å; R929-L933 VanDerWaalsContact O-CG 3.28Å; R929-L933 WeakPolarHBondContact O-CG 3.24Å; R929-L933 PolarHBondContact O-N 3.13Å; R929-L997 HydrophobicContact CG-CD2 4.17Å; R929-L997 VanDerWaalsContact NE-CD1 3.35Å; R929-L997 VanDerWaalsContact NE-CD2 3.32Å
930	R	91.6	Very high	87.1	Confident	90 Å²	90	48.4 Å²	48.4	34%	0.34	24%	0.243	S	C	.	.	H	α-helix	trans	-60.7	-47.2	178.1	-72.7	-176.4	71.6	177.5	1.7	112.1	L855 E858 T926 F927 V928 L933 I934	L855-R930 HydrophobicContact CD1-CB 4.18Å; L855-R930 HydrophobicContact CD2-CB 4.4Å; E858-R930 VanDerWaalsContact CD-NH2 3.3Å; E858-R930 IonicContact OE1-CZ 3.07Å; E858-R930 IonicContact OE1-NH1 2.72Å; E858-R930 PolarHBondContact OE1-NH1 3.21Å; E858-R930 IonicContact OE1-NH2 2.65Å; E858-R930 PolarHBondContact OE1-NH2 3.41Å; E858-R930 IonicContact OE2-CZ 2.65Å; E858-R930 IonicContact OE2-NH1 3.57Å; E858-R930 IonicContact OE2-NH2 2.83Å; E858-R930 PolarHBondContact OE2-NH2 3.11Å; T926-R930 WeakPolarHBondContact O-CG 3.39Å; T926-R930 PolarHBondContact O-N 3.47Å; T926-R930 VanDerWaalsContact O-N 3.1Å; F927-R930 PolarHBondContact O-N 2.98Å; V928-R930 PolarHBondContact O-N 3.07Å; R930-L933 PolarHBondContact O-N 3.01Å; R930-I934 WeakPolarHBondContact O-CG1 3.22Å; R930-I934 PolarHBondContact O-N 3.44Å
931	L	92.6	Very high	87	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.7	-43.5	177.8	-179.2	56	0	0	0	112	L852 L855 V878 H881 A882 M902 L906 F927 V928 L933 I934 I935	L852-L931 HydrophobicContact CD2-CD1 3.59Å; L855-L931 HydrophobicContact CD2-CB 4.14Å; L855-L931 HydrophobicContact CD2-CD1 4.32Å; V878-L931 HydrophobicContact CG1-CB 4.43Å; V878-L931 HydrophobicContact CG1-CD2 4.03Å; H881-L931 HydrophobicContact CB-CD2 3.92Å; A882-L931 HydrophobicContact CB-CD1 4.04Å; A882-L931 HydrophobicContact CB-CD2 4.45Å; M902-L931 HydrophobicContact SD-CD2 4.5Å; L906-L931 HydrophobicContact CD1-CD2 3.87Å; L906-L931 HydrophobicContact CD1-CG 4.25Å; L906-L931 HydrophobicContact CD2-CD2 4.16Å; F927-L931 PolarHBondContact O-N 2.6Å; F927-L931 VanDerWaalsContact O-N 3.12Å; V928-L931 PolarHBondContact O-N 2.9Å; L931-L933 VanDerWaalsContact C-N 3.33Å; L931-L933 PolarHBondContact O-N 3.17Å; L931-I934 PolarHBondContact O-N 2.79Å; L931-I935 HydrophobicContact CD1-CG2 4.4Å; L931-I935 PolarHBondContact O-N 3.06Å
932	L	90.6	Very high	86.9	Confident	45 Å²	45	48.2 Å²	48.2	24%	0.236	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-38.3	178	-71.5	176.7	0	0	0	112.7	T903 L906 V928 R929 I935 A936	T903-L932 HydrophobicContact CG2-CD2 3.98Å; L906-L932 HydrophobicContact CD1-CD2 3.84Å; L906-L932 HydrophobicContact CD1-CG 4.25Å; V928-L932 HydrophobicContact CG1-CD1 3.72Å; V928-L932 HydrophobicContact CG1-CG 4.2Å; V928-L932 WeakPolarHBondContact O-CB 3.45Å; V928-L932 VanDerWaalsContact O-CG 3.25Å; V928-L932 WeakPolarHBondContact O-CG 3.46Å; V928-L932 PolarHBondContact O-N 3.16Å; R929-L932 PolarHBondContact O-N 2.99Å; L932-I935 HydrophobicContact CD2-CD1 4.12Å; L932-I935 WeakPolarHBondContact O-CG1 3.47Å; L932-I935 PolarHBondContact O-N 3.13Å; L932-A936 WeakPolarHBondContact O-CB 3.25Å; L932-A936 PolarHBondContact O-N 3.33Å
933	L	87.1	Confident	86.9	Confident	134 Å²	134	46.8 Å²	46.8	70%	0.702	23%	0.227	S	C	*	.	H	α-helix	trans	-62	-43.2	177.4	-78.8	164.9	0	0	0	112.5	R929 R930 L931	R929-L933 WeakPolarHBondContact O-CB 3.38Å; R929-L933 VanDerWaalsContact O-CG 3.28Å; R929-L933 WeakPolarHBondContact O-CG 3.24Å; R929-L933 PolarHBondContact O-N 3.13Å; R930-L933 PolarHBondContact O-N 3.01Å; L931-L933 VanDerWaalsContact C-N 3.33Å; L931-L933 PolarHBondContact O-N 3.17Å
934	I	89.5	Confident	86.6	Confident	22 Å²	22	48.2 Å²	48.2	11%	0.113	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-42.5	-180	-60.9	166.2	0	0	0	110.9	M848 Q851 L852 L855 R930 L931 P938	M848-I934 HydrophobicContact CG-CG2 4.33Å; Q851-I934 HydrophobicContact CB-CD1 4.04Å; Q851-I934 HydrophobicContact CB-CG1 4.13Å; Q851-I934 HydrophobicContact CB-CG2 3.88Å; L852-I934 HydrophobicContact CD2-CG2 4.14Å; L852-I934 HydrophobicContact CG-CG2 3.96Å; L855-I934 HydrophobicContact CB-CD1 4Å; L855-I934 HydrophobicContact CD2-CD1 3.63Å; L855-I934 HydrophobicContact CG-CD1 4.37Å; R930-I934 WeakPolarHBondContact O-CG1 3.22Å; R930-I934 PolarHBondContact O-N 3.44Å; L931-I934 PolarHBondContact O-N 2.79Å; I934-P938 VanDerWaalsContact O-CD 3.26Å; I934-P938 WeakPolarHBondContact O-CD 3.45Å
935	I	90.5	Very high	86.2	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-82.3	-19.2	-176.4	69.1	175.4	0	0	0	114.1	L852 F899 M902 L931 L932 R937 P938 A939	L852-I935 HydrophobicContact CD2-CG2 4.45Å; F899-I935 HydrophobicContact CD1-CB 3.74Å; F899-I935 HydrophobicContact CD1-CD1 4.05Å; F899-I935 HydrophobicContact CD1-CG1 4.36Å; F899-I935 HydrophobicContact CD1-CG2 4.09Å; F899-I935 HydrophobicContact CE1-CB 3.79Å; F899-I935 HydrophobicContact CE1-CG2 3.84Å; M902-I935 HydrophobicContact CG-CD1 4.47Å; M902-I935 HydrophobicContact SD-CD1 3.79Å; L931-I935 HydrophobicContact CD1-CG2 4.4Å; L931-I935 PolarHBondContact O-N 3.06Å; L932-I935 HydrophobicContact CD2-CD1 4.12Å; L932-I935 WeakPolarHBondContact O-CG1 3.47Å; L932-I935 PolarHBondContact O-N 3.13Å; I935-R937 PolarHBondContact O-N 3.02Å; I935-P938 WeakPolarHBondContact O-CD 2.89Å; I935-A939 VanDerWaalsContact O-CB 3.27Å; I935-A939 WeakPolarHBondContact O-CB 3.14Å; I935-A939 PolarHBondContact O-N 3.26Å
936	A	83.1	Confident	85.9	Confident	53 Å²	53	51.5 Å²	51.5	44%	0.438	26%	0.257	S	S	.	.	H	α-helix	trans	-58.5	-47.4	-172.5	0	0	0	0	0	113.8	L932 A939 R940	L932-A936 WeakPolarHBondContact O-CB 3.25Å; L932-A936 PolarHBondContact O-N 3.33Å; A936-A939 PolarHBondContact O-N 3.39Å; A936-R940 PolarHBondContact O-N 2.75Å; A936-R940 VanDerWaalsContact O-N 3.08Å
937	R	81.5	Confident	85.3	Confident	104 Å²	104	52.8 Å²	52.8	39%	0.392	26%	0.256	S	S	.	.	H	α-helix	trans	-68.7	-47.5	178.8	-179.8	179.2	-170.1	147	5.1	112.4	I935 A939 R940 L941 L1223 A1224	I935-R937 PolarHBondContact O-N 3.02Å; R937-A939 PolarHBondContact O-N 3.42Å; R937-R940 PolarHBondContact O-N 3.26Å; R937-L941 HydrophobicContact CG-CD1 4.2Å; R937-L941 WeakPolarHBondContact O-CG 3.5Å; R937-L941 PolarHBondContact O-N 2.7Å; R937-L941 VanDerWaalsContact O-N 3.08Å; R937-L1223 PolarHBondContact NH2-O 3.5Å; R937-A1224 PolarHBondContact NH2-O 2.95Å; R937-A1224 VanDerWaalsContact NH2-O 3.13Å
938	P	84.8	Confident	84.5	Confident	6 Å²	6	55.7 Å²	55.7	4%	0.039	27%	0.272	C	S	.	.	H	α-helix	trans	-51.8	-46.9	168.8	-30.2	35.5	0	0	0	114.3	M848 F899 I934 I935 L941 L942	M848-P938 HydrophobicContact CB-CG 3.79Å; M848-P938 HydrophobicContact CE-CB 4.43Å; M848-P938 HydrophobicContact CG-CB 4.44Å; M848-P938 HydrophobicContact CG-CG 3.74Å; M848-P938 HydrophobicContact SD-CB 3.43Å; M848-P938 WeakPolarHBondContact SD-CB 3.44Å; M848-P938 HydrophobicContact SD-CG 3.41Å; M848-P938 WeakPolarHBondContact SD-CG 3.49Å; F899-P938 HydrophobicContact CE2-CB 4.33Å; F899-P938 HydrophobicContact CZ-CB 4.1Å; I934-P938 VanDerWaalsContact O-CD 3.26Å; I934-P938 WeakPolarHBondContact O-CD 3.45Å; I935-P938 WeakPolarHBondContact O-CD 2.89Å; P938-L941 PolarHBondContact O-N 2.6Å; P938-L942 PolarHBondContact O-N 2.81Å
939	A	87.2	Confident	82.7	Confident	19 Å²	19	57.4 Å²	57.4	16%	0.157	28%	0.283	C	S	.	.	H	α-helix	trans	-60.7	-47.5	-180	0	0	0	0	0	111.9	F899 I935 A936 R937 L941 L942 E943	F899-A939 HydrophobicContact CB-CB 3.67Å; F899-A939 HydrophobicContact CD2-CB 3.69Å; F899-A939 HydrophobicContact CE2-CB 4.46Å; F899-A939 HydrophobicContact CG-CB 3.76Å; I935-A939 VanDerWaalsContact O-CB 3.27Å; I935-A939 WeakPolarHBondContact O-CB 3.14Å; I935-A939 PolarHBondContact O-N 3.26Å; A936-A939 PolarHBondContact O-N 3.39Å; R937-A939 PolarHBondContact O-N 3.42Å; A939-L941 VanDerWaalsContact C-N 3.31Å; A939-L941 PolarHBondContact O-N 3.26Å; A939-L942 PolarHBondContact O-N 2.7Å; A939-E943 WeakPolarHBondContact O-CB 3.29Å; A939-E943 PolarHBondContact O-N 3.43Å
940	R	78.2	Confident	81	Confident	138 Å²	138	55.8 Å²	55.8	52%	0.521	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-37	177.2	-140.5	78.5	172.2	126.2	-3.6	112.4	A936 R937 E943 C944	A936-R940 PolarHBondContact O-N 2.75Å; A936-R940 VanDerWaalsContact O-N 3.08Å; R937-R940 PolarHBondContact O-N 3.26Å; R940-E943 WeakPolarHBondContact CD-OE2 3.26Å; R940-E943 IonicContact CZ-OE1 2.67Å; R940-E943 IonicContact CZ-OE2 2.77Å; R940-E943 IonicContact NE-OE2 2.66Å; R940-E943 IonicContact NH1-OE1 3.27Å; R940-E943 PolarHBondContact NH1-OE1 2.64Å; R940-E943 IonicContact NH1-OE2 2.76Å; R940-E943 PolarHBondContact NH1-OE2 3.09Å; R940-C944 PolarHBondContact O-N 2.91Å; R940-C944 VanDerWaalsContact O-N 3.11Å; R940-C944 PolarHBondContact O-SG 3.1Å
941	L	83.8	Confident	79.9	Confident	27 Å²	27	57.2 Å²	57.2	14%	0.141	30%	0.299	C	S	.	.	H	α-helix	trans	-70	-38	177.6	-72.1	171.3	0	0	0	112.5	Y837 F841 A844 R937 P938 A939 L945	Y837-L941 HydrophobicContact CD2-CB 4.4Å; Y837-L941 HydrophobicContact CE2-CB 3.92Å; Y837-L941 HydrophobicContact CE2-CD1 4.29Å; F841-L941 HydrophobicContact CB-CD1 4.41Å; F841-L941 HydrophobicContact CD1-CD1 4.42Å; F841-L941 HydrophobicContact CD1-CD2 4.28Å; F841-L941 HydrophobicContact CD2-CB 4.49Å; F841-L941 HydrophobicContact CD2-CD1 4.44Å; F841-L941 HydrophobicContact CD2-CD2 4.42Å; F841-L941 HydrophobicContact CE1-CD2 3.96Å; F841-L941 HydrophobicContact CE2-CD2 4.11Å; F841-L941 HydrophobicContact CG-CD1 4.18Å; F841-L941 HydrophobicContact CG-CD2 4.5Å; F841-L941 HydrophobicContact CZ-CD2 3.87Å; A844-L941 HydrophobicContact CB-CD1 4.27Å; R937-L941 HydrophobicContact CG-CD1 4.2Å; R937-L941 WeakPolarHBondContact O-CG 3.5Å; R937-L941 PolarHBondContact O-N 2.7Å; R937-L941 VanDerWaalsContact O-N 3.08Å; P938-L941 PolarHBondContact O-N 2.6Å; A939-L941 VanDerWaalsContact C-N 3.31Å; A939-L941 PolarHBondContact O-N 3.26Å; L941-L945 WeakPolarHBondContact O-CG 3.49Å; L941-L945 PolarHBondContact O-N 3.31Å
942	L	85	Confident	78.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-72.7	-39.7	175	-88	155.7	0	0	0	112.1	L833 Y837 V894 C896 F899 P938 A939 C944 L945 E946	L833-L942 HydrophobicContact CD2-CD2 4.14Å; L833-L942 HydrophobicContact CG-CD2 4.24Å; Y837-L942 HydrophobicContact CD1-CD1 4.4Å; Y837-L942 HydrophobicContact CD2-CD1 4.37Å; Y837-L942 HydrophobicContact CD2-CD2 4.38Å; Y837-L942 HydrophobicContact CD2-CG 3.91Å; Y837-L942 HydrophobicContact CE1-CD1 4.48Å; Y837-L942 HydrophobicContact CE2-CD1 4.45Å; Y837-L942 HydrophobicContact CE2-CG 4.31Å; Y837-L942 HydrophobicContact CG-CD1 4.36Å; Y837-L942 HydrophobicContact CG-CD2 4.18Å; Y837-L942 HydrophobicContact CG-CG 4.1Å; V894-L942 HydrophobicContact CB-CD1 4.28Å; V894-L942 HydrophobicContact CG2-CD1 3.9Å; C896-L942 HydrophobicContact CB-CB 4.46Å; F899-L942 HydrophobicContact CE2-CD1 3.81Å; P938-L942 PolarHBondContact O-N 2.81Å; A939-L942 PolarHBondContact O-N 2.7Å; L942-C944 VanDerWaalsContact C-N 3.28Å; L942-C944 PolarHBondContact O-N 2.92Å; L942-L945 WeakPolarHBondContact O-CA 3Å; L942-L945 PolarHBondContact O-N 3.18Å; L942-E946 WeakPolarHBondContact O-CB 3.26Å; L942-E946 WeakPolarHBondContact O-CG 3.47Å; L942-E946 PolarHBondContact O-N 3.06Å
943	E	83.1	Confident	76.9	Confident	58 Å²	58	64.8 Å²	64.8	27%	0.271	33%	0.327	S	S	.	.	H	α-helix	trans	-53.1	-44.8	169.7	-177	-175.6	-178	0	0	111.3	C896 A939 R940 L945 E946 F947	C896-E943 HydrophobicContact CB-CB 3.93Å; A939-E943 WeakPolarHBondContact O-CB 3.29Å; A939-E943 PolarHBondContact O-N 3.43Å; R940-E943 WeakPolarHBondContact CD-OE2 3.26Å; R940-E943 IonicContact CZ-OE1 2.67Å; R940-E943 IonicContact CZ-OE2 2.77Å; R940-E943 IonicContact NE-OE2 2.66Å; R940-E943 IonicContact NH1-OE1 3.27Å; R940-E943 PolarHBondContact NH1-OE1 2.64Å; R940-E943 IonicContact NH1-OE2 2.76Å; R940-E943 PolarHBondContact NH1-OE2 3.09Å; E943-L945 VanDerWaalsContact C-N 3.28Å; E943-L945 PolarHBondContact O-N 3.01Å; E943-E946 PolarHBondContact O-N 3.11Å; E943-F947 WeakPolarHBondContact O-CB 3.17Å; E943-F947 PolarHBondContact O-N 3.29Å
944	C	78.9	Confident	76	Confident	96 Å²	96	64.6 Å²	64.6	65%	0.649	32%	0.323	S	S	*	.	H	α-helix	trans	-68.7	-17.1	174.8	-67.7	0	0	0	0	115.3	R940 L942	R940-C944 PolarHBondContact O-N 2.91Å; R940-C944 VanDerWaalsContact O-N 3.11Å; R940-C944 PolarHBondContact O-SG 3.1Å; L942-C944 VanDerWaalsContact C-N 3.28Å; L942-C944 PolarHBondContact O-N 2.92Å
945	L	77.1	Confident	74.8	Confident	24 Å²	24	67 Å²	67	13%	0.126	33%	0.334	C	S	.	.	H	α-helix	trans	-93.1	-34.3	175.4	-70.6	170.3	0	0	0	112.2	L833 V836 Y837 F841 L941 L942 E943	L833-L945 HydrophobicContact CD1-CB 3.85Å; V836-L945 HydrophobicContact CG1-CD2 4.29Å; Y837-L945 HydrophobicContact CD2-CD1 4.07Å; Y837-L945 HydrophobicContact CG-CD1 4.41Å; F841-L945 HydrophobicContact CD2-CD1 4.49Å; F841-L945 HydrophobicContact CE2-CD1 4.14Å; F841-L945 HydrophobicContact CE2-CG 4.49Å; L941-L945 WeakPolarHBondContact O-CG 3.49Å; L941-L945 PolarHBondContact O-N 3.31Å; L942-L945 WeakPolarHBondContact O-CA 3Å; L942-L945 PolarHBondContact O-N 3.18Å; E943-L945 VanDerWaalsContact C-N 3.28Å; E943-L945 PolarHBondContact O-N 3.01Å
946	E	81.9	Confident	73.3	Confident	63 Å²	63	69.2 Å²	69.2	29%	0.294	35%	0.346	S	S	.	.	H	α-helix	trans	-78.2	-24.8	178.4	-72.4	172.2	-138.6	0	0	112.9	L833 T895 C896 L942 E943 D948	L833-E946 HydrophobicContact CD1-CG 4.24Å; L833-E946 HydrophobicContact CD2-CG 3.43Å; L833-E946 VanDerWaalsContact CD2-CG 3.43Å; L833-E946 HydrophobicContact CG-CG 4.43Å; T895-E946 WeakPolarHBondContact CA-OE1 3.27Å; T895-E946 WeakPolarHBondContact CB-OE1 3.3Å; C896-E946 PolarHBondContact N-OE1 3.05Å; C896-E946 PolarHBondContact N-OE2 3.2Å; C896-E946 PolarHBondContact SG-OE2 3.13Å; L942-E946 WeakPolarHBondContact O-CB 3.26Å; L942-E946 WeakPolarHBondContact O-CG 3.47Å; L942-E946 PolarHBondContact O-N 3.06Å; E943-E946 PolarHBondContact O-N 3.11Å; E946-D948 PolarHBondContact O-N 2.8Å; E946-D948 VanDerWaalsContact O-N 3.17Å
947	F	76.8	Confident	72.3	Confident	102 Å²	102	72.9 Å²	72.9	45%	0.447	35%	0.354	S	S	.	.			trans	-49.2	115.6	-177.7	-176.2	-98.2	0	0	0	114.1	E943 P949 F952	E943-F947 WeakPolarHBondContact O-CB 3.17Å; E943-F947 PolarHBondContact O-N 3.29Å; F947-P949 HydrophobicContact CD1-CG 4.11Å; F947-P949 HydrophobicContact CE1-CB 4.09Å; F947-P949 HydrophobicContact CE1-CG 3.84Å; F947-F952 HydrophobicContact CE2-CB 3.82Å; F947-F952 HydrophobicContact CE2-CD1 4.41Å; F947-F952 AromaticContact CE2-CD2 3.8Å; F947-F952 HydrophobicContact CE2-CD2 3.8Å; F947-F952 HydrophobicContact CE2-CE2 4.46Å; F947-F952 AromaticContact CE2-CG 3.77Å; F947-F952 HydrophobicContact CE2-CG 3.77Å; F947-F952 HydrophobicContact CZ-CB 3.73Å; F947-F952 AromaticContact CZ-CD1 3.9Å; F947-F952 HydrophobicContact CZ-CD1 3.9Å; F947-F952 HydrophobicContact CZ-CD2 4.13Å; F947-F952 AromaticContact CZ-CG 3.66Å; F947-F952 HydrophobicContact CZ-CG 3.66Å
948	D	70.9	Confident	71.7	Confident	71 Å²	71	71 Å²	71	38%	0.38	35%	0.354	S	S	.	.			trans	-95	115.2	164.3	177.9	23.4	0	0	0	110.4	E946 S950 E951 F952	E946-D948 PolarHBondContact O-N 2.8Å; E946-D948 VanDerWaalsContact O-N 3.17Å; D948-S950 PolarHBondContact O-N 3.43Å; D948-S950 VanDerWaalsContact OD1-CB 3.24Å; D948-S950 WeakPolarHBondContact OD1-CB 3.22Å; D948-S950 PolarHBondContact OD1-N 3.07Å; D948-S950 PolarHBondContact OD1-OG 2.98Å; D948-S950 VanDerWaalsContact OD2-CB 3.25Å; D948-S950 WeakPolarHBondContact OD2-CB 3.48Å; D948-S950 PolarHBondContact OD2-OG 2.81Å; D948-E951 HydrophobicContact CB-CB 4.32Å; D948-E951 PolarHBondContact OD2-N 3.49Å; D948-F952 PolarHBondContact O-N 3.18Å
949	P	53.2	Low	70.2	Confident	44 Å²	44	70.9 Å²	70.9	29%	0.286	35%	0.353	S	S	.	.	H	α-helix	trans	-58	-27.8	171.8	-20.6	31.1	0	0	0	113.1	F947 Y953	F947-P949 HydrophobicContact CD1-CG 4.11Å; F947-P949 HydrophobicContact CE1-CB 4.09Å; F947-P949 HydrophobicContact CE1-CG 3.84Å; P949-Y953 HydrophobicContact CB-CD2 4.34Å; P949-Y953 HydrophobicContact CB-CE2 4.23Å; P949-Y953 WeakPolarHBondContact O-CB 3.33Å; P949-Y953 WeakPolarHBondContact O-CD2 3.33Å; P949-Y953 PolarHBondContact O-N 3.19Å
950	S	53.6	Low	68.4	Low	73 Å²	73	74.6 Å²	74.6	51%	0.51	37%	0.368	S	S	.	.	H	α-helix	trans	-71.5	-51.7	-174.6	-31.6	0	0	0	0	111.4	D948 F952 Y953 Q954	D948-S950 PolarHBondContact O-N 3.43Å; D948-S950 VanDerWaalsContact OD1-CB 3.24Å; D948-S950 WeakPolarHBondContact OD1-CB 3.22Å; D948-S950 PolarHBondContact OD1-N 3.07Å; D948-S950 PolarHBondContact OD1-OG 2.98Å; D948-S950 VanDerWaalsContact OD2-CB 3.25Å; D948-S950 WeakPolarHBondContact OD2-CB 3.48Å; D948-S950 PolarHBondContact OD2-OG 2.81Å; S950-F952 VanDerWaalsContact C-N 3.3Å; S950-F952 PolarHBondContact O-N 3.01Å; S950-Y953 PolarHBondContact O-N 3.46Å; S950-Q954 WeakPolarHBondContact O-CB 3.28Å; S950-Q954 PolarHBondContact O-N 3.14Å
951	E	69.3	Low	67.1	Low	120 Å²	120	70.1 Å²	70.1	56%	0.561	36%	0.357	S	S	*	.	H	α-helix	trans	-58.1	-42.9	171.3	-169	-178.2	-155.3	0	0	111.3	D948 Q954 M955	D948-E951 HydrophobicContact CB-CB 4.32Å; D948-E951 PolarHBondContact OD2-N 3.49Å; E951-Q954 PolarHBondContact O-N 3.32Å; E951-M955 HydrophobicContact CG-CE 4.27Å; E951-M955 WeakPolarHBondContact O-CG 3.26Å; E951-M955 PolarHBondContact O-N 2.93Å
952	F	63.5	Low	65.7	Low	60 Å²	60	73.5 Å²	73.5	26%	0.263	37%	0.372	S	S	.	.	H	α-helix	trans	-61.3	-45.7	176.8	-178.9	-99.9	0	0	0	113	F947 D948 S950 Q954 M955 L956 L990	F947-F952 HydrophobicContact CE2-CB 3.82Å; F947-F952 HydrophobicContact CE2-CD1 4.41Å; F947-F952 AromaticContact CE2-CD2 3.8Å; F947-F952 HydrophobicContact CE2-CD2 3.8Å; F947-F952 HydrophobicContact CE2-CE2 4.46Å; F947-F952 AromaticContact CE2-CG 3.77Å; F947-F952 HydrophobicContact CE2-CG 3.77Å; F947-F952 HydrophobicContact CZ-CB 3.73Å; F947-F952 AromaticContact CZ-CD1 3.9Å; F947-F952 HydrophobicContact CZ-CD1 3.9Å; F947-F952 HydrophobicContact CZ-CD2 4.13Å; F947-F952 AromaticContact CZ-CG 3.66Å; F947-F952 HydrophobicContact CZ-CG 3.66Å; D948-F952 PolarHBondContact O-N 3.18Å; S950-F952 VanDerWaalsContact C-N 3.3Å; S950-F952 PolarHBondContact O-N 3.01Å; F952-Q954 VanDerWaalsContact C-N 3.33Å; F952-Q954 PolarHBondContact O-N 3.1Å; F952-M955 PolarHBondContact O-N 3.1Å; F952-L956 HydrophobicContact CD1-CD1 3.88Å; F952-L956 HydrophobicContact CE1-CD1 3.4Å; F952-L956 VanDerWaalsContact CE1-CD1 3.4Å; F952-L956 HydrophobicContact CE1-CG 4.24Å; F952-L956 HydrophobicContact CZ-CD1 3.91Å; F952-L956 HydrophobicContact CZ-CG 4.41Å; F952-L956 WeakPolarHBondContact O-CG 3.44Å; F952-L956 PolarHBondContact O-N 3.46Å; F952-L990 HydrophobicContact CD2-CD2 3.77Å; F952-L990 HydrophobicContact CE2-CD1 3.72Å; F952-L990 HydrophobicContact CE2-CD2 3.56Å; F952-L990 HydrophobicContact CE2-CG 4.31Å; F952-L990 HydrophobicContact CZ-CD1 4.33Å
953	Y	55.7	Low	64	Low	143 Å²	143	76.4 Å²	76.4	56%	0.561	39%	0.39	S	S	*	.	H	α-helix	trans	-66.1	-34.6	174.7	-77.6	-53.6	0	0	0	112.4	P949 S950 L956 E957	P949-Y953 HydrophobicContact CB-CD2 4.34Å; P949-Y953 HydrophobicContact CB-CE2 4.23Å; P949-Y953 WeakPolarHBondContact O-CB 3.33Å; P949-Y953 WeakPolarHBondContact O-CD2 3.33Å; P949-Y953 PolarHBondContact O-N 3.19Å; S950-Y953 PolarHBondContact O-N 3.46Å; Y953-L956 HydrophobicContact CD1-CD1 4.28Å; Y953-L956 PolarHBondContact O-N 2.91Å; Y953-E957 WeakPolarHBondContact O-CB 3.06Å; Y953-E957 PolarHBondContact O-N 3.24Å
954	Q	69	Low	62.2	Low	131 Å²	131	80.2 Å²	80.2	61%	0.612	40%	0.401	S	S	*	.	H	α-helix	trans	-70.2	-38.9	176.4	-169	164.9	78.3	0	0	111.7	S950 E951 F952 L956 E957 V958	S950-Q954 WeakPolarHBondContact O-CB 3.28Å; S950-Q954 PolarHBondContact O-N 3.14Å; E951-Q954 PolarHBondContact O-N 3.32Å; F952-Q954 VanDerWaalsContact C-N 3.33Å; F952-Q954 PolarHBondContact O-N 3.1Å; Q954-L956 VanDerWaalsContact C-N 3.34Å; Q954-E957 PolarHBondContact O-N 3.47Å; Q954-V958 WeakPolarHBondContact O-CB 3.36Å; Q954-V958 VanDerWaalsContact O-CG2 3.27Å; Q954-V958 WeakPolarHBondContact O-CG2 3.44Å; Q954-V958 PolarHBondContact O-N 3.26Å
955	M	64.3	Low	60.7	Low	73 Å²	73	82.9 Å²	82.9	36%	0.36	40%	0.404	S	S	.	.	H	α-helix	trans	-62.1	-39.9	169.1	-75	-165.4	-74.4	0	0	112	E951 F952 A959 L990	E951-M955 HydrophobicContact CG-CE 4.27Å; E951-M955 WeakPolarHBondContact O-CG 3.26Å; E951-M955 PolarHBondContact O-N 2.93Å; F952-M955 PolarHBondContact O-N 3.1Å; M955-A959 WeakPolarHBondContact O-CB 3.35Å; M955-A959 PolarHBondContact O-N 3.19Å; M955-L990 HydrophobicContact CE-CD2 4.3Å
956	L	58.6	Low	59.1	Low	48 Å²	48	90 Å²	90	25%	0.251	43%	0.43	S	S	.	.	H	α-helix	trans	-66.5	-40.5	174	-78.4	176.1	0	0	0	113	F952 Y953 Q954 A959 E960 I986	F952-L956 HydrophobicContact CD1-CD1 3.88Å; F952-L956 HydrophobicContact CE1-CD1 3.4Å; F952-L956 VanDerWaalsContact CE1-CD1 3.4Å; F952-L956 HydrophobicContact CE1-CG 4.24Å; F952-L956 HydrophobicContact CZ-CD1 3.91Å; F952-L956 HydrophobicContact CZ-CG 4.41Å; F952-L956 WeakPolarHBondContact O-CG 3.44Å; F952-L956 PolarHBondContact O-N 3.46Å; Y953-L956 HydrophobicContact CD1-CD1 4.28Å; Y953-L956 PolarHBondContact O-N 2.91Å; Q954-L956 VanDerWaalsContact C-N 3.34Å; L956-A959 PolarHBondContact O-N 3.14Å; L956-E960 WeakPolarHBondContact O-CB 3.2Å; L956-E960 PolarHBondContact O-N 2.99Å; L956-I986 HydrophobicContact CD2-CD1 4.14Å; L956-I986 HydrophobicContact CD2-CG1 4.49Å; L956-I986 HydrophobicContact CD2-CG2 4.15Å
957	E	62.8	Low	57.2	Low	130 Å²	130	90.2 Å²	90.2	61%	0.607	44%	0.435	S	S	*	.	H	α-helix	trans	-68.8	-40.8	177.8	-176.8	171.8	-144.1	0	0	111.5	Y953 Q954 A959 S961	Y953-E957 WeakPolarHBondContact O-CB 3.06Å; Y953-E957 PolarHBondContact O-N 3.24Å; Q954-E957 PolarHBondContact O-N 3.47Å; E957-A959 VanDerWaalsContact C-N 3.33Å; E957-S961 VanDerWaalsContact O-CB 3.25Å; E957-S961 WeakPolarHBondContact O-CB 3.25Å; E957-S961 PolarHBondContact O-N 3.5Å; E957-S961 PolarHBondContact O-OG 3.28Å
958	V	67.7	Low	55.2	Low	66 Å²	66	91.9 Å²	91.9	40%	0.4	45%	0.449	S	S	.	.	H	α-helix	trans	-60.7	-43.5	169.4	169	0	0	0	0	110.4	Q954 H962	Q954-V958 WeakPolarHBondContact O-CB 3.36Å; Q954-V958 VanDerWaalsContact O-CG2 3.27Å; Q954-V958 WeakPolarHBondContact O-CG2 3.44Å; Q954-V958 PolarHBondContact O-N 3.26Å; V958-H962 PolarHBondContact O-N 3.45Å; V958-H962 VanDerWaalsContact O-N 3.08Å; V958-H962 PolarHBondContact O-ND1 2.7Å
959	A	53	Low	53.2	Low	3 Å²	3	92.9 Å²	92.9	3%	0.025	46%	0.461	C	S	.	.	H	α-helix	trans	-65.7	-49.6	179	0	0	0	0	0	111.9	M955 L956 E957 S961 H962 V963 Y985 K989	M955-A959 WeakPolarHBondContact O-CB 3.35Å; M955-A959 PolarHBondContact O-N 3.19Å; L956-A959 PolarHBondContact O-N 3.14Å; E957-A959 VanDerWaalsContact C-N 3.33Å; A959-S961 VanDerWaalsContact C-N 3.27Å; A959-S961 PolarHBondContact O-N 3.14Å; A959-H962 PolarHBondContact O-N 3Å; A959-H962 VanDerWaalsContact O-N 3.12Å; A959-V963 WeakPolarHBondContact O-CG2 3.22Å; A959-V963 PolarHBondContact O-N 2.87Å; A959-Y985 HydrophobicContact CB-CD1 4.28Å; A959-Y985 HydrophobicContact CB-CE1 3.82Å; A959-Y985 WeakPolarHBondContact O-CE1 3.41Å; A959-K989 HydrophobicContact CB-CG 4.48Å
960	E	49.8	Very low	52.2	Low	97 Å²	97	94.8 Å²	94.8	45%	0.453	47%	0.472	S	S	.	.	H	α-helix	trans	-60.7	-39.4	178.8	-158.4	-164.6	178.5	0	0	111	L956 H962 V963 R964	L956-E960 WeakPolarHBondContact O-CB 3.2Å; L956-E960 PolarHBondContact O-N 2.99Å; E960-H962 PolarHBondContact O-N 3.1Å; E960-V963 PolarHBondContact O-N 3.31Å; E960-R964 HydrophobicContact CG-CG 4.38Å; E960-R964 WeakPolarHBondContact O-CB 3.48Å; E960-R964 VanDerWaalsContact O-CG 3.23Å; E960-R964 WeakPolarHBondContact O-CG 3.49Å; E960-R964 PolarHBondContact O-N 3.32Å; E960-R964 IonicContact OE1-CZ 2.8Å; E960-R964 IonicContact OE1-NE 3.74Å; E960-R964 PolarHBondContact OE1-NE 3.2Å; E960-R964 IonicContact OE1-NH2 3.77Å; E960-R964 PolarHBondContact OE1-NH2 3.37Å; E960-R964 IonicContact OE2-CZ 3.86Å; E960-R964 IonicContact OE2-NE 3.54Å; E960-R964 IonicContact OE2-NH1 3.91Å; E960-R964 IonicContact OE2-NH2 3.18Å; E960-R964 PolarHBondContact OE2-NH2 3.31Å
961	S	52	Low	51	Low	43 Å²	43	97.7 Å²	97.7	30%	0.301	48%	0.482	S	S	.	.	H	α-helix	trans	-60.4	-44.2	174.2	-61.7	0	0	0	0	112.4	E957 A959 V963 R964 H965	E957-S961 VanDerWaalsContact O-CB 3.25Å; E957-S961 WeakPolarHBondContact O-CB 3.25Å; E957-S961 PolarHBondContact O-N 3.5Å; E957-S961 PolarHBondContact O-OG 3.28Å; A959-S961 VanDerWaalsContact C-N 3.27Å; A959-S961 PolarHBondContact O-N 3.14Å; S961-V963 PolarHBondContact O-N 3.47Å; S961-R964 PolarHBondContact O-N 2.78Å; S961-H965 WeakPolarHBondContact O-CB 3.4Å; S961-H965 PolarHBondContact O-CD2 2.89Å; S961-H965 PolarHBondContact O-N 2.69Å
962	H	54.2	Low	49.3	Very low	99 Å²	99	97.2 Å²	97.2	46%	0.458	49%	0.486	S	S	.	.	H	α-helix	trans	-64.2	-37.3	175.8	-78.5	74.5	0	0	0	112.7	V958 A959 E960 R966 Y985	V958-H962 PolarHBondContact O-N 3.45Å; V958-H962 VanDerWaalsContact O-N 3.08Å; V958-H962 PolarHBondContact O-ND1 2.7Å; A959-H962 PolarHBondContact O-N 3Å; A959-H962 VanDerWaalsContact O-N 3.12Å; E960-H962 PolarHBondContact O-N 3.1Å; H962-R966 PolarHBondContact O-N 2.87Å; H962-R966 VanDerWaalsContact O-N 3.14Å; H962-Y985 HydrophobicContact CB-CE1 3.82Å; H962-Y985 WeakPolarHBondContact CB-OH 3.43Å; H962-Y985 VanDerWaalsContact CG-OH 3.28Å
963	V	48.9	Very low	47.6	Very low	61 Å²	61	99.5 Å²	99.5	37%	0.37	51%	0.507	S	S	.	.	H	α-helix	trans	-65.7	-51.3	174.1	175.7	0	0	0	0	110.3	A959 E960 S961 H965 R966 T967 Y985	A959-V963 WeakPolarHBondContact O-CG2 3.22Å; A959-V963 PolarHBondContact O-N 2.87Å; E960-V963 PolarHBondContact O-N 3.31Å; S961-V963 PolarHBondContact O-N 3.47Å; V963-H965 VanDerWaalsContact C-N 3.28Å; V963-H965 PolarHBondContact O-N 3.34Å; V963-R966 PolarHBondContact O-N 3.48Å; V963-R966 VanDerWaalsContact O-N 3.08Å; V963-T967 HydrophobicContact CG1-CG2 4.44Å; V963-T967 PolarHBondContact O-N 2.97Å; V963-T967 PolarHBondContact O-OG1 2.84Å; V963-Y985 HydrophobicContact CG2-CD1 3.56Å; V963-Y985 HydrophobicContact CG2-CE1 4.06Å; V963-Y985 HydrophobicContact CG2-CG 4.46Å
964	R	44.7	Very low	46.2	Very low	137 Å²	137	96.4 Å²	96.4	52%	0.517	51%	0.511	S	S	.	.	H	α-helix	trans	-58.3	-35.6	178.3	-72.7	169.8	175.5	-173.7	2.3	112.8	E960 S961 T967 N968	E960-R964 HydrophobicContact CG-CG 4.38Å; E960-R964 WeakPolarHBondContact O-CB 3.48Å; E960-R964 VanDerWaalsContact O-CG 3.23Å; E960-R964 WeakPolarHBondContact O-CG 3.49Å; E960-R964 PolarHBondContact O-N 3.32Å; E960-R964 IonicContact OE1-CZ 2.8Å; E960-R964 IonicContact OE1-NE 3.74Å; E960-R964 PolarHBondContact OE1-NE 3.2Å; E960-R964 IonicContact OE1-NH2 3.77Å; E960-R964 PolarHBondContact OE1-NH2 3.37Å; E960-R964 IonicContact OE2-CZ 3.86Å; E960-R964 IonicContact OE2-NE 3.54Å; E960-R964 IonicContact OE2-NH1 3.91Å; E960-R964 IonicContact OE2-NH2 3.18Å; E960-R964 PolarHBondContact OE2-NH2 3.31Å; S961-R964 PolarHBondContact O-N 2.78Å; R964-T967 WeakPolarHBondContact CA-OG1 3.44Å; R964-T967 PolarHBondContact O-OG1 3.38Å; R964-N968 PolarHBondContact O-ND2 2.86Å; R964-N968 VanDerWaalsContact O-ND2 3.13Å
965	H	46.9	Very low	44.1	Very low	152 Å²	152	95.1 Å²	95.1	70%	0.704	52%	0.517	S	S	*	.	H	α-helix	trans	-71.9	-37.6	175	-81.6	-63.3	0	0	0	112.7	S961 V963	S961-H965 WeakPolarHBondContact O-CB 3.4Å; S961-H965 PolarHBondContact O-CD2 2.89Å; S961-H965 PolarHBondContact O-N 2.69Å; V963-H965 VanDerWaalsContact C-N 3.28Å; V963-H965 PolarHBondContact O-N 3.34Å
966	R	44.9	Very low	42.3	Very low	175 Å²	175	99.5 Å²	99.5	66%	0.66	54%	0.536	S	S	*	.	H	α-helix	trans	-68.9	-37.4	175.2	-87.7	-173.6	169.3	-171.9	-4.1	113.1	H962 V963 N968 L1061	H962-R966 PolarHBondContact O-N 2.87Å; H962-R966 VanDerWaalsContact O-N 3.14Å; V963-R966 PolarHBondContact O-N 3.48Å; V963-R966 VanDerWaalsContact O-N 3.08Å; R966-N968 PolarHBondContact O-N 3.41Å; R966-L1061 HydrophobicContact CB-CD1 3.81Å; R966-L1061 HydrophobicContact CB-CD2 3.84Å; R966-L1061 HydrophobicContact CB-CG 4.49Å; R966-L1061 HydrophobicContact CG-CD1 4.23Å; R966-L1061 WeakPolarHBondContact O-CD1 3.44Å
967	T	41.3	Very low	41.3	Very low	66 Å²	66	102.6 Å²	102.6	41%	0.405	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.9	-8.1	-176.4	46.7	0	0	0	0	115.9	V963 R964	V963-T967 HydrophobicContact CG1-CG2 4.44Å; V963-T967 PolarHBondContact O-N 2.97Å; V963-T967 PolarHBondContact O-OG1 2.84Å; R964-T967 WeakPolarHBondContact CA-OG1 3.44Å; R964-T967 PolarHBondContact O-OG1 3.38Å
968	N	34.7	Very low	39.6	Very low	138 Å²	138	98.6 Å²	98.6	74%	0.738	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	18.9	-172.5	-74.5	-32.9	0	0	0	115	R964 R966	R964-N968 PolarHBondContact O-ND2 2.86Å; R964-N968 VanDerWaalsContact O-ND2 3.13Å; R966-N968 PolarHBondContact O-N 3.41Å
969	S	29.8	Very low	37.8	Very low	92 Å²	92	98.4 Å²	98.4	64%	0.643	54%	0.536	S	S	*	.	S	Bend	trans	-136.1	83.2	-176.9	-173.6	0	0	0	0	115.6
970	V	32	Very low	36.8	Very low	84 Å²	84	101.1 Å²	101.1	51%	0.509	56%	0.558	S	S	.	*			trans	59.6	109.9	148.4	-169.3	0	0	0	0	120
971	N	28.6	Very low	36.1	Very low	134 Å²	134	100 Å²	100	72%	0.717	56%	0.556	S	S	*	*			trans	23.5	128.1	140.8	-44.6	-14.5	0	0	0	120.5
972	V	32.1	Very low	35.3	Very low	109 Å²	109	102.2 Å²	102.2	66%	0.661	57%	0.567	S	S	*	*				-156.2	-155.6	81.9	-151.4	0	0	0	0	109.5
973	P	29.2	Very low	34.6	Very low	108 Å²	108	101.2 Å²	101.2	70%	0.701	57%	0.569	S	S	*	*			trans	-102.5	-179.3	-132.1	43.1	-29.5	0	0	0	115.9
974	A	26.2	Very low	34.1	Very low	78 Å²	78	104.3 Å²	104.3	65%	0.645	58%	0.583	S	S	*	*			trans	-114.8	130.4	-169	0	0	0	0	0	115.1	I1091	A974-I1091 HydrophobicContact CB-CD1 3.95Å
975	S	25.1	Very low	33.8	Very low	105 Å²	105	100.8 Å²	100.8	73%	0.734	57%	0.57	S	S	*	*			trans	-151.2	142	154.4	56.7	0	0	0	0	109.7
976	Q	26.9	Very low	33.6	Very low	164 Å²	164	95.6 Å²	95.6	77%	0.766	55%	0.547	S	S	*	.			trans	57.8	112.7	-177.7	-61.1	-180	-5.8	0	0	117.3
977	I	37.4	Very low	33.5	Very low	114 Å²	114	89.7 Å²	89.7	59%	0.585	53%	0.528	S	S	*	.			trans	165.3	119.8	134.8	-84.9	156.3	0	0	0	108.3
978	I	26.4	Very low	33.7	Very low	45 Å²	45	89.9 Å²	89.9	23%	0.231	53%	0.533	C	S	.	.			trans	-118.2	119	139.4	-74.1	-178.8	0	0	0	105.4	H1089 T1092 F1096	I978-H1089 HydrophobicContact CD1-CB 3.35Å; I978-H1089 VanDerWaalsContact CD1-ND1 3.25Å; I978-H1089 WeakPolarHBondContact CD1-ND1 3.26Å; I978-H1089 HydrophobicContact CG1-CB 4.44Å; I978-H1089 VanDerWaalsContact CG1-CE1 3.49Å; I978-H1089 WeakPolarHBondContact CG1-CE1 3.35Å; I978-H1089 WeakPolarHBondContact CG1-ND1 3.27Å; I978-T1092 HydrophobicContact CG1-CG2 4.48Å; I978-F1096 HydrophobicContact CD1-CD2 4.4Å; I978-F1096 HydrophobicContact CD1-CE2 3.43Å; I978-F1096 VanDerWaalsContact CD1-CE2 3.43Å; I978-F1096 HydrophobicContact CD1-CZ 3.73Å; I978-F1096 HydrophobicContact CG2-CZ 3.93Å
979	S	28.9	Very low	34	Very low	63 Å²	63	88 Å²	88	44%	0.441	52%	0.518	S	S	.	.			trans	174	103.7	144.2	31.4	0	0	0	0	106.4
980	A	33.3	Very low	34.4	Very low	59 Å²	59	85.9 Å²	85.9	49%	0.488	50%	0.499	S	S	.	.			trans	-162.6	72.7	174.5	0	0	0	0	0	110.1	V982	A980-V982 PolarHBondContact O-N 3.43Å
981	D	34.9	Very low	34.6	Very low	75 Å²	75	83.5 Å²	83.5	40%	0.401	49%	0.491	S	S	.	.	S	Bend	trans	-53.6	132.5	150.9	-65.1	-60.9	0	0	0	108.1	R1612	D981-R1612 IonicContact OD2-CZ 3.57Å; D981-R1612 IonicContact OD2-NE 3.75Å; D981-R1612 IonicContact OD2-NH2 3.95Å; D981-R1612 PolarHBondContact OD2-NH2 3.37Å
982	V	35.3	Very low	34.9	Very low	88 Å²	88	81.2 Å²	81.2	53%	0.533	48%	0.478	S	S	.	.	S	Bend	trans	43.8	112.4	178.9	-173.4	0	0	0	0	116.1	A980 L984	A980-V982 PolarHBondContact O-N 3.43Å; V982-L984 PolarHBondContact O-N 2.94Å; V982-L984 VanDerWaalsContact O-N 3.11Å
983	P	38.5	Very low	35.2	Very low	78 Å²	78	79.7 Å²	79.7	51%	0.506	47%	0.472	S	S	.	.			trans	-56.9	121.9	-171.8	24	-34.3	0	0	0	112.7	Y985 I986	P983-Y985 PolarHBondContact O-N 3.11Å; P983-I986 HydrophobicContact CG-CD1 3.87Å; P983-I986 HydrophobicContact CG-CG1 4.24Å; P983-I986 WeakPolarHBondContact O-CB 3.28Å; P983-I986 PolarHBondContact O-N 3.01Å
984	L	38.4	Very low	35.7	Very low	126 Å²	126	79.4 Å²	79.4	66%	0.66	46%	0.46	S	S	*	.	H	α-helix	trans	-47	-25.9	-173	-66.6	164	0	0	0	115.3	V982 I986 I987 S988	V982-L984 PolarHBondContact O-N 2.94Å; V982-L984 VanDerWaalsContact O-N 3.11Å; L984-I986 VanDerWaalsContact C-N 3.33Å; L984-I986 PolarHBondContact O-N 2.78Å; L984-I987 HydrophobicContact CD2-CD1 4.37Å; L984-I987 PolarHBondContact O-N 3.3Å; L984-S988 WeakPolarHBondContact O-CB 3.3Å; L984-S988 PolarHBondContact O-N 2.91Å
985	Y	39.3	Very low	35.9	Very low	63 Å²	63	81.2 Å²	81.2	25%	0.247	46%	0.464	C	S	.	.	H	α-helix	trans	-66	-31	175.1	-179	-113.7	0	0	0	113.6	A959 H962 V963 P983 K989	A959-Y985 HydrophobicContact CB-CD1 4.28Å; A959-Y985 HydrophobicContact CB-CE1 3.82Å; A959-Y985 WeakPolarHBondContact O-CE1 3.41Å; H962-Y985 HydrophobicContact CB-CE1 3.82Å; H962-Y985 WeakPolarHBondContact CB-OH 3.43Å; H962-Y985 VanDerWaalsContact CG-OH 3.28Å; V963-Y985 HydrophobicContact CG2-CD1 3.56Å; V963-Y985 HydrophobicContact CG2-CE1 4.06Å; V963-Y985 HydrophobicContact CG2-CG 4.46Å; P983-Y985 PolarHBondContact O-N 3.11Å; Y985-K989 HydrophobicContact CD2-CG 4.44Å; Y985-K989 HydrophobicContact CE1-CG 4.2Å; Y985-K989 HydrophobicContact CE2-CG 3.93Å; Y985-K989 WeakPolarHBondContact O-CB 3.11Å; Y985-K989 WeakPolarHBondContact O-CG 3.28Å; Y985-K989 PolarHBondContact O-N 2.93Å; Y985-K989 WeakPolarHBondContact OH-CE 3.45Å
986	I	41.9	Very low	36	Very low	43 Å²	43	82.4 Å²	82.4	22%	0.221	47%	0.466	C	S	.	.	H	α-helix	trans	-69.7	-44.2	171.1	-64.3	179.9	0	0	0	109.8	L956 P983 L984 S988 K989 L990	L956-I986 HydrophobicContact CD2-CD1 4.14Å; L956-I986 HydrophobicContact CD2-CG1 4.49Å; L956-I986 HydrophobicContact CD2-CG2 4.15Å; P983-I986 HydrophobicContact CG-CD1 3.87Å; P983-I986 HydrophobicContact CG-CG1 4.24Å; P983-I986 WeakPolarHBondContact O-CB 3.28Å; P983-I986 PolarHBondContact O-N 3.01Å; L984-I986 VanDerWaalsContact C-N 3.33Å; L984-I986 PolarHBondContact O-N 2.78Å; I986-S988 VanDerWaalsContact C-N 3.3Å; I986-S988 PolarHBondContact O-N 3.21Å; I986-K989 PolarHBondContact O-N 2.85Å; I986-K989 VanDerWaalsContact O-N 3.12Å; I986-L990 HydrophobicContact CG2-CD1 3.59Å; I986-L990 HydrophobicContact CG2-CG 4.09Å; I986-L990 WeakPolarHBondContact O-CB 3.41Å; I986-L990 WeakPolarHBondContact O-CG 3.34Å; I986-L990 PolarHBondContact O-N 3.39Å
987	I	44.5	Very low	36	Very low	51 Å²	51	79.2 Å²	79.2	26%	0.262	45%	0.454	S	S	.	.	H	α-helix	trans	-58.3	-43.9	175.9	-64.2	173.2	0	0	0	110.5	L984 G991 L992	L984-I987 HydrophobicContact CD2-CD1 4.37Å; L984-I987 PolarHBondContact O-N 3.3Å; I987-G991 PolarHBondContact O-N 3.45Å; I987-L992 HydrophobicContact CG2-CB 3.86Å; I987-L992 PolarHBondContact O-N 3.49Å
988	S	44.2	Very low	35.4	Very low	71 Å²	71	80.3 Å²	80.3	50%	0.497	46%	0.461	S	S	.	.	H	α-helix	trans	-63.2	-42	173.2	174.4	0	0	0	0	113.3	L984 I986 G991	L984-S988 WeakPolarHBondContact O-CB 3.3Å; L984-S988 PolarHBondContact O-N 2.91Å; I986-S988 VanDerWaalsContact C-N 3.3Å; I986-S988 PolarHBondContact O-N 3.21Å; S988-G991 PolarHBondContact O-N 3.42Å
989	K	41	Very low	35.4	Very low	99 Å²	99	81 Å²	81	43%	0.43	47%	0.465	S	S	.	.	H	α-helix	trans	-75.3	-23.9	180	-80.9	-66.1	-172.3	-177.6	0	114.6	A959 Y985 I986	A959-K989 HydrophobicContact CB-CG 4.48Å; Y985-K989 HydrophobicContact CD2-CG 4.44Å; Y985-K989 HydrophobicContact CE1-CG 4.2Å; Y985-K989 HydrophobicContact CE2-CG 3.93Å; Y985-K989 WeakPolarHBondContact O-CB 3.11Å; Y985-K989 WeakPolarHBondContact O-CG 3.28Å; Y985-K989 PolarHBondContact O-N 2.93Å; Y985-K989 WeakPolarHBondContact OH-CE 3.45Å; I986-K989 PolarHBondContact O-N 2.85Å; I986-K989 VanDerWaalsContact O-N 3.12Å
990	L	37.7	Very low	35.3	Very low	47 Å²	47	83.2 Å²	83.2	25%	0.246	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	5.5	175.6	-63.6	178.4	0	0	0	113.4	F952 M955 I986 L992	F952-L990 HydrophobicContact CD2-CD2 3.77Å; F952-L990 HydrophobicContact CE2-CD1 3.72Å; F952-L990 HydrophobicContact CE2-CD2 3.56Å; F952-L990 HydrophobicContact CE2-CG 4.31Å; F952-L990 HydrophobicContact CZ-CD1 4.33Å; M955-L990 HydrophobicContact CE-CD2 4.3Å; I986-L990 HydrophobicContact CG2-CD1 3.59Å; I986-L990 HydrophobicContact CG2-CG 4.09Å; I986-L990 WeakPolarHBondContact O-CB 3.41Å; I986-L990 WeakPolarHBondContact O-CG 3.34Å; I986-L990 PolarHBondContact O-N 3.39Å; L990-L992 HydrophobicContact CB-CD1 4.05Å; L990-L992 HydrophobicContact CB-CG 4.05Å; L990-L992 HydrophobicContact CD1-CD1 4.24Å; L990-L992 PolarHBondContact O-N 2.92Å; L990-L992 VanDerWaalsContact O-N 3.17Å
991	G	36.5	Very low	34.9	Very low	33 Å²	33	88.9 Å²	88.9	34%	0.34	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	2.9	-179.6	0	0	0	0	0	115.2	I987 S988 S993	I987-G991 PolarHBondContact O-N 3.45Å; S988-G991 PolarHBondContact O-N 3.42Å; G991-S993 PolarHBondContact O-N 3.39Å; G991-S993 VanDerWaalsContact O-N 3.09Å
992	L	35.9	Very low	34.5	Very low	86 Å²	86	92.1 Å²	92.1	45%	0.45	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	3.1	-178.1	-63.7	173.9	0	0	0	113.5	I987 L990 K994	I987-L992 HydrophobicContact CG2-CB 3.86Å; I987-L992 PolarHBondContact O-N 3.49Å; L990-L992 HydrophobicContact CB-CD1 4.05Å; L990-L992 HydrophobicContact CB-CG 4.05Å; L990-L992 HydrophobicContact CD1-CD1 4.24Å; L990-L992 PolarHBondContact O-N 2.92Å; L990-L992 VanDerWaalsContact O-N 3.17Å; L992-K994 VanDerWaalsContact C-N 3.26Å; L992-K994 PolarHBondContact O-N 3.22Å
993	S	37.2	Very low	34	Very low	77 Å²	77	94.7 Å²	94.7	54%	0.538	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	16.8	178.4	66.6	0	0	0	0	114.4	G991	G991-S993 PolarHBondContact O-N 3.39Å; G991-S993 VanDerWaalsContact O-N 3.09Å
994	K	39.5	Very low	33.4	Very low	103 Å²	103	99.1 Å²	99.1	45%	0.448	54%	0.535	S	S	.	.			trans	-92.6	95.2	168.8	-77.7	179.8	177.8	170.6	0	109.4	E904 L992 V996	E904-K994 VanDerWaalsContact CD-NZ 3.34Å; E904-K994 IonicContact OE1-NZ 3.62Å; E904-K994 PolarHBondContact OE1-NZ 2.71Å; L992-K994 VanDerWaalsContact C-N 3.26Å; L992-K994 PolarHBondContact O-N 3.22Å; K994-V996 PolarHBondContact O-N 3.04Å
995	T	31.2	Very low	32.9	Very low	116 Å²	116	97.8 Å²	97.8	71%	0.712	54%	0.541	S	S	*	.			trans	-58.1	122.9	167.1	33.9	0	0	0	0	109.6	L997	T995-L997 PolarHBondContact O-N 3.45Å
996	V	27.3	Very low	32.3	Very low	130 Å²	130	99.1 Å²	99.1	79%	0.788	56%	0.56	S	S	*	*	S	Bend	trans	-77.2	107.6	172.9	173.9	0	0	0	0	107.4	K994	K994-V996 PolarHBondContact O-N 3.04Å
997	L	27	Very low	31.7	Very low	96 Å²	96	105.5 Å²	105.5	50%	0.503	59%	0.589	S	S	.	*			trans	76	81.6	175.5	-50.4	161.4	0	0	0	115.2	R929 T995	R929-L997 HydrophobicContact CG-CD2 4.17Å; R929-L997 VanDerWaalsContact NE-CD1 3.35Å; R929-L997 VanDerWaalsContact NE-CD2 3.32Å; T995-L997 PolarHBondContact O-N 3.45Å
998	D	25.3	Very low	30.8	Very low	138 Å²	138	108.8 Å²	108.8	74%	0.738	61%	0.606	S	S	*	*			trans	-95.6	92.5	161.1	-167.9	4.7	0	0	0	109
999	D	26.9	Very low	29.8	Very low	60 Å²	60	110.1 Å²	110.1	32%	0.321	62%	0.615	S	S	.	*			trans	-158.9	70.7	-179.8	-130.1	-17.6	0	0	0	114.7	R914	R914-D999 IonicContact CZ-OD1 3.38Å; R914-D999 VanDerWaalsContact CZ-OD1 3.25Å; R914-D999 VanDerWaalsContact NH1-CG 3.3Å; R914-D999 IonicContact NH1-OD1 3.38Å; R914-D999 PolarHBondContact NH1-OD1 3.49Å; R914-D999 IonicContact NH1-OD2 3.86Å; R914-D999 PolarHBondContact NH1-OD2 3.47Å; R914-D999 IonicContact NH2-OD1 3.26Å; R914-D999 PolarHBondContact NH2-OD1 3.05Å
1000	S	25.2	Very low	29.1	Very low	109 Å²	109	110.3 Å²	110.3	76%	0.762	63%	0.628	S	S	*	*			trans	-179.9	123	160.5	-83.3	0	0	0	0	109.2
1001	Q	25.9	Very low	29	Very low	178 Å²	178	113 Å²	113	83%	0.832	65%	0.649	S	S	*	*			cis	-144.3	131.4	9.8	-57.5	175.4	-20.2	0	0	112.1
1002	N	25.5	Very low	28.6	Very low	142 Å²	142	118 Å²	118	76%	0.759	67%	0.667	S	S	*	*			trans	-179	140.1	150.6	-109.6	-52.7	0	0	0	105.6
1003	I	25.9	Very low	28.1	Very low	142 Å²	142	119.9 Å²	119.9	73%	0.728	68%	0.677	S	S	*	*			cis	-145.6	143	34.8	-63.5	163.4	0	0	0	109.8
1004	K	25.9	Very low	27.8	Very low	172 Å²	172	118.1 Å²	118.1	75%	0.748	66%	0.662	S	S	*	*			trans	-169.3	135.2	140.6	-102	157.7	-172.4	175.5	0	107	D919	D919-K1004 IonicContact OD1-NZ 3.9Å
1005	A	28	Very low	27.2	Very low	97 Å²	97	117.8 Å²	117.8	80%	0.802	67%	0.665	S	S	*	*			cis	-139.9	162.2	4	0	0	0	0	0	112.7
1006	S	25.9	Very low	27.5	Very low	92 Å²	92	115.6 Å²	115.6	64%	0.643	65%	0.653	S	S	*	*			trans	-119.1	136.6	174.3	55.9	0	0	0	0	110.7
1007	H	29.4	Very low	27.5	Very low	176 Å²	176	117 Å²	117	82%	0.815	65%	0.65	S	S	*	*			trans	-137.1	119.6	156.3	-114.6	-102.3	0	0	0	106.8
1008	L	26.1	Very low	27.6	Very low	120 Å²	120	120.1 Å²	120.1	63%	0.628	66%	0.662	S	S	*	*				71.5	123.4	53.2	-58.3	169.5	0	0	0	112
1009	C	23.1	Very low	27.6	Very low	100 Å²	100	117.6 Å²	117.6	68%	0.676	66%	0.655	S	S	*	*			cis	-171.1	152.2	-8.5	-131.5	0	0	0	0	114.4
1010	S	25.6	Very low	27.5	Very low	102 Å²	102	122.1 Å²	122.1	71%	0.713	67%	0.674	S	S	*	*			trans	73.3	168.7	137.9	-62.4	0	0	0	0	121
1011	P	36	Very low	27.7	Very low	104 Å²	104	123.9 Å²	123.9	68%	0.675	67%	0.668	S	S	*	*				-144.9	168.4	-55.2	42.6	-26.8	0	0	0	117.8
1012	N	27.6	Very low	27.7	Very low	138 Å²	138	123.2 Å²	123.2	74%	0.738	66%	0.663	S	S	*	*			trans	84.6	151.4	146	-78.7	-8.4	0	0	0	122.5
1013	L	26.4	Very low	28	Very low	126 Å²	126	125.2 Å²	125.2	66%	0.66	67%	0.665	S	S	*	*			trans	108.7	140.4	170.2	-49.1	-163.9	0	0	0	116.8	D1592	L1013-D1592 VanDerWaalsContact CD1-OD2 3.32Å; L1013-D1592 WeakPolarHBondContact CD1-OD2 3.4Å
1014	N	29.7	Very low	28.1	Very low	39 Å²	39	123.5 Å²	123.5	21%	0.209	67%	0.666	C	S	.	*			cis	-163.5	175.1	-28.4	-75	-37.7	0	0	0	111.8	D1592 N1593 Q1594	N1014-D1592 HydrophobicContact CB-CB 3.75Å; N1014-D1592 WeakPolarHBondContact CB-OD1 3.17Å; N1014-D1592 VanDerWaalsContact ND2-CB 3.33Å; N1014-D1592 WeakPolarHBondContact ND2-CB 3.47Å; N1014-D1592 PolarHBondContact ND2-OD2 2.89Å; N1014-N1593 WeakPolarHBondContact CB-OD1 3.01Å; N1014-N1593 PolarHBondContact ND2-OD1 2.95Å; N1014-N1593 PolarHBondContact OD1-OD1 2.95Å; N1014-Q1594 HydrophobicContact CB-CG 4.02Å; N1014-Q1594 VanDerWaalsContact OD1-CD 3.24Å; N1014-Q1594 VanDerWaalsContact OD1-CG 3.24Å; N1014-Q1594 WeakPolarHBondContact OD1-CG 3.38Å; N1014-Q1594 PolarHBondContact OD1-NE2 2.81Å
1015	D	27.6	Very low	28.2	Very low	97 Å²	97	119.3 Å²	119.3	52%	0.519	67%	0.671	S	S	.	*			trans	-90.8	-144.3	166.9	-47.4	-78.9	0	0	0	113.1	D1592 N1593 Q1594 N1595	D1015-D1592 CarbonylContact O-C 3.57Å; D1015-D1592 WeakPolarHBondContact O-CA 3.41Å; D1015-N1593 PolarHBondContact O-N 2.71Å; D1015-Q1594 VanDerWaalsContact OD2-CA 3.25Å; D1015-Q1594 WeakPolarHBondContact OD2-CA 3.49Å; D1015-N1595 PolarHBondContact OD2-N 3.47Å
1016	P	36.7	Very low	28	Very low	69 Å²	69	119.8 Å²	119.8	45%	0.448	67%	0.669	S	S	.	*			cis	-147.8	-165.8	-0.8	48.8	-26.4	0	0	0	119
1017	H	28.3	Very low	28.1	Very low	159 Å²	159	120.8 Å²	120.8	74%	0.736	67%	0.671	S	S	*	*			trans	62.5	128.2	148.5	-87.7	-68.9	0	0	0	129.4
1018	H	29.5	Very low	28	Very low	162 Å²	162	118.7 Å²	118.7	75%	0.75	67%	0.665	S	S	*	*			trans	70.9	142.4	155.9	-83.1	-82.1	0	0	0	121.5
1019	S	24.7	Very low	27.9	Very low	85 Å²	85	123.2 Å²	123.2	59%	0.594	67%	0.673	S	S	*	*			cis	-174	147	-32.9	50.5	0	0	0	0	112.5
1020	E	24	Very low	28	Very low	155 Å²	155	123.4 Å²	123.4	72%	0.724	67%	0.671	S	S	*	*			trans	35.9	138.4	155.3	-51.3	-173.9	153.7	0	0	122.7
1021	K	29	Very low	27.8	Very low	146 Å²	146	124.7 Å²	124.7	64%	0.635	66%	0.66	S	S	*	*				177.4	142.1	96.3	-102.5	170.3	176.7	64.5	0	116.9
1022	F	27.4	Very low	27.3	Very low	164 Å²	164	124 Å²	124	72%	0.719	65%	0.654	S	S	*	*			trans	62.6	150.3	154.4	-69	-53.2	0	0	0	119.4
1023	K	30.4	Very low	27.1	Very low	184 Å²	184	121.6 Å²	121.6	80%	0.8	65%	0.645	S	S	*	*			cis	-133.2	128.4	5.1	-110.3	135.8	-178.7	-179.7	0	108.7
1024	S	29.2	Very low	27	Very low	107 Å²	107	119.7 Å²	119.7	75%	0.748	64%	0.642	S	S	*	*				78.5	122.8	88.4	-57.2	0	0	0	0	114.9
1025	G	27.1	Very low	26.8	Very low	84 Å²	84	121.1 Å²	121.1	87%	0.866	67%	0.666	S	S	*	*			trans	159.4	45.7	176.8	0	0	0	0	0	116.2
1026	S	24.4	Very low	26.8	Very low	107 Å²	107	120.9 Å²	120.9	75%	0.748	67%	0.672	S	S	*	*			trans	-88.2	-176.6	-179.7	55.6	0	0	0	0	113.1
1027	T	28.5	Very low	26.3	Very low	112 Å²	112	122 Å²	122	69%	0.687	67%	0.674	S	S	*	*			trans	102.1	97.2	146.8	-52	0	0	0	0	119
1028	I	26.4	Very low	26.2	Very low	133 Å²	133	116.7 Å²	116.7	68%	0.682	65%	0.651	S	S	*	*				93.5	115.7	126.9	-83.5	-178.2	0	0	0	123.1
1029	R	24.7	Very low	26.3	Very low	214 Å²	214	110 Å²	110	81%	0.808	62%	0.621	S	S	*	*			trans	76.4	128.6	130.1	-75.4	-171	-175.1	164	-1.1	124.8
1030	V	24.6	Very low	26.6	Very low	105 Å²	105	108.2 Å²	108.2	64%	0.636	61%	0.608	S	S	*	*				88.6	96	121.4	169.9	0	0	0	0	120.7
1031	R	22.5	Very low	27	Very low	129 Å²	129	103.9 Å²	103.9	49%	0.487	59%	0.594	S	S	.	*				88.1	149.7	120.6	-72.6	-167.1	174.7	138.6	-6.8	123.7	E752 T753	E752-R1031 WeakPolarHBondContact OE1-CD 3.23Å; E752-R1031 IonicContact OE1-CZ 2.76Å; E752-R1031 IonicContact OE1-NE 3.87Å; E752-R1031 PolarHBondContact OE1-NE 2.99Å; E752-R1031 IonicContact OE1-NH1 2.67Å; E752-R1031 PolarHBondContact OE1-NH1 2.92Å; E752-R1031 IonicContact OE2-CZ 3.19Å; E752-R1031 IonicContact OE2-NH1 3.62Å; E752-R1031 PolarHBondContact OE2-NH1 2.91Å; E752-R1031 IonicContact OE2-NH2 2.74Å; E752-R1031 PolarHBondContact OE2-NH2 2.74Å; T753-R1031 HydrophobicContact CG2-CB 4.32Å; T753-R1031 HydrophobicContact CG2-CG 3.79Å; T753-R1031 PolarHBondContact OG1-NE 3.25Å
1032	T	24.1	Very low	26.9	Very low	88 Å²	88	100.4 Å²	100.4	54%	0.54	58%	0.581	S	S	.	*			trans	84.9	96.1	143	35.5	0	0	0	0	122.7	T753	T753-T1032 HydrophobicContact CG2-CG2 3.68Å
1033	T	24.5	Very low	27	Very low	88 Å²	88	97.7 Å²	97.7	54%	0.54	57%	0.57	S	S	.	*				82	120.5	121	51.8	0	0	0	0	123.7
1034	S	23.5	Very low	26.9	Very low	87 Å²	87	94 Å²	94	61%	0.608	56%	0.563	S	S	*	*			trans	61.3	130.1	135.3	-43.3	0	0	0	0	119.6	R754	R754-S1034 PolarHBondContact NH1-OG 3.34Å; R754-S1034 VanDerWaalsContact NH1-OG 3.15Å; R754-S1034 PolarHBondContact NH2-OG 3.47Å
1035	G	24.7	Very low	27	Very low	68 Å²	68	96.2 Å²	96.2	70%	0.701	57%	0.567	S	S	*	*			trans	157.8	34.4	157.9	0	0	0	0	0	121.7
1036	S	27.5	Very low	27.1	Very low	93 Å²	93	99.8 Å²	99.8	65%	0.65	57%	0.566	S	S	*	*			trans	45.2	105.8	155.6	58.6	0	0	0	0	120.8
1037	N	27.7	Very low	27.3	Very low	93 Å²	93	102.4 Å²	102.4	50%	0.497	57%	0.566	S	S	.	*				54.3	110.3	116.4	-92.1	-24.8	0	0	0	118.2	R2171	N1037-R2171 PolarHBondContact O-NH2 3.25Å
1038	L	26.2	Very low	27.3	Very low	46 Å²	46	103.9 Å²	103.9	24%	0.241	57%	0.569	C	S	.	*				-175.5	143	78.6	-117.2	65.5	0	0	0	111.9	I2169 R2171 N2202 C2203	L1038-I2169 HydrophobicContact CG-CG2 4.34Å; L1038-R2171 HydrophobicContact CD1-CG 4Å; L1038-N2202 CarbonylContact O-C 3.39Å; L1038-N2202 VanDerWaalsContact O-CA 3.32Å; L1038-N2202 WeakPolarHBondContact O-CA 3.24Å; L1038-C2203 WeakPolarHBondContact O-CB 2.26Å
1039	N	31.1	Very low	27.3	Very low	23 Å²	23	103.5 Å²	103.5	12%	0.123	57%	0.572	C	S	.	*			trans	72.3	123.5	137.4	-56	6.1	0	0	0	121.4	I2169 N2202 C2203	N1039-I2169 PolarHBondContact ND2-O 3.36Å; N1039-I2169 WeakPolarHBondContact OD1-CB 3.5Å; N1039-I2169 WeakPolarHBondContact OD1-CD1 3.15Å; N1039-I2169 VanDerWaalsContact OD1-CG2 3.23Å; N1039-I2169 WeakPolarHBondContact OD1-CG2 3.49Å; N1039-N2202 HydrophobicContact CB-CB 4.01Å; N1039-N2202 WeakPolarHBondContact CB-ND2 3.25Å; N1039-N2202 WeakPolarHBondContact CB-OD1 3.31Å; N1039-N2202 PolarHBondContact ND2-OD1 3.14Å; N1039-N2202 CarbonylContact O-C 3.56Å; N1039-N2202 WeakPolarHBondContact O-CA 3.42Å; N1039-N2202 VanDerWaalsContact O-CB 3.31Å; N1039-N2202 WeakPolarHBondContact O-CB 3.19Å; N1039-C2203 WeakPolarHBondContact O-CB 2.27Å; N1039-C2203 PolarHBondContact O-N 3.01Å
1040	S	31.6	Very low	27.5	Very low	47 Å²	47	98 Å²	98	33%	0.329	57%	0.566	S	S	.	*				84.4	131.8	55.2	85.5	0	0	0	0	114.5	N2202	S1040-N2202 PolarHBondContact O-ND2 3.28Å
1041	C	31	Very low	27.6	Very low	63 Å²	63	103.3 Å²	103.3	43%	0.426	58%	0.575	S	S	.	*			cis	-132.9	-150.8	6.2	-59.9	0	0	0	0	110	A2166 R2168	C1041-A2166 PolarHBondContact SG-O 3.33Å; C1041-R2168 PolarHBondContact SG-NH1 3.36Å
1042	M	28.7	Very low	27.7	Very low	74 Å²	74	103.6 Å²	103.6	37%	0.365	59%	0.591	S	S	.	*			cis	-161.9	-175.5	1.8	-137.5	-60.7	79.1	0	0	110.4	V2165	M1042-V2165 HydrophobicContact CE-CB 4.28Å; M1042-V2165 HydrophobicContact CE-CG1 3.59Å; M1042-V2165 HydrophobicContact CE-CG2 4.45Å; M1042-V2165 HydrophobicContact CG-CB 4.05Å; M1042-V2165 HydrophobicContact CG-CG1 3.91Å; M1042-V2165 HydrophobicContact SD-CB 3.53Å; M1042-V2165 VanDerWaalsContact SD-CB 3.53Å; M1042-V2165 HydrophobicContact SD-CG1 3.48Å; M1042-V2165 WeakPolarHBondContact SD-CG1 2.99Å; M1042-V2165 HydrophobicContact SD-CG2 3.81Å
1043	H	27.9	Very low	27.9	Very low	107 Å²	107	103.7 Å²	103.7	50%	0.495	60%	0.601	S	S	.	*			trans	69.1	150.5	170.2	-53.9	-47.8	0	0	0	117
1044	T	28.6	Very low	28.1	Very low	105 Å²	105	110.9 Å²	110.9	64%	0.644	62%	0.618	S	S	*	*			cis	-156.7	167.4	-10.1	9.6	0	0	0	0	109.9
1045	D	31.4	Very low	28.3	Very low	154 Å²	154	111.7 Å²	111.7	82%	0.824	62%	0.624	S	S	*	*			trans	-110.5	155.3	-178.6	-59.9	-45	0	0	0	114.1
1046	D	29.2	Very low	28.7	Very low	160 Å²	160	112 Å²	112	86%	0.856	61%	0.609	S	S	*	*			trans	-158.3	-177.1	156.5	-123.5	-24.6	0	0	0	112.5
1047	E	27.9	Very low	28.8	Very low	161 Å²	161	110.5 Å²	110.5	75%	0.752	60%	0.599	S	S	*	*			trans	-74.1	143.6	-150.4	-67.2	-168.4	126.5	0	0	122.3
1048	I	28.9	Very low	29.1	Very low	144 Å²	144	111.1 Å²	111.1	74%	0.738	61%	0.61	S	S	*	*			trans	32.4	119.3	132.4	-44.9	170.2	0	0	0	120.1
1049	V	26.8	Very low	29.2	Very low	124 Å²	124	114.7 Å²	114.7	75%	0.752	64%	0.638	S	S	*	*				176.4	144.6	125.2	143.9	0	0	0	0	111.7
1050	S	29.9	Very low	29.6	Very low	98 Å²	98	118.7 Å²	118.7	69%	0.685	66%	0.663	S	S	*	*			trans	65.3	157.3	167.7	-76.4	0	0	0	0	118.6
1051	R	25.2	Very low	29.9	Very low	218 Å²	218	120.9 Å²	120.9	82%	0.823	67%	0.671	S	S	*	*			cis	-171.1	137.5	-37.2	-116.2	173.7	-173	-170.2	4	107
1052	T	25.7	Very low	30.9	Very low	135 Å²	135	124.1 Å²	124.1	83%	0.828	68%	0.682	S	S	*	*			trans	58.1	135.3	157.7	47.1	0	0	0	0	122.3
1053	A	27.3	Very low	33	Very low	90 Å²	90	128.7 Å²	128.7	74%	0.744	70%	0.695	S	S	*	*			trans	74.7	140	152.5	0	0	0	0	0	119
1054	R	29.4	Very low	35.3	Very low	238 Å²	238	128 Å²	128	90%	0.898	70%	0.7	S	S	*	*			cis	-148	148	-7.2	-125.4	167.7	-173.9	155.4	-0.5	112.4
1055	S	28.7	Very low	38	Very low	104 Å²	104	125.5 Å²	125.5	73%	0.727	69%	0.686	S	S	*	*			trans	-54.8	151.7	172.3	51.3	0	0	0	0	114.5
1056	N	32.3	Very low	40.8	Very low	75 Å²	75	119.3 Å²	119.3	40%	0.401	65%	0.654	S	S	.	*			trans	-161.5	160.2	145.6	-146.6	-25.1	0	0	0	111.7	L763	L763-N1056 HydrophobicContact CD1-CB 3.61Å; L763-N1056 HydrophobicContact CD2-CB 3.42Å; L763-N1056 VanDerWaalsContact CD2-CB 3.42Å; L763-N1056 WeakPolarHBondContact CD2-ND2 3.32Å; L763-N1056 HydrophobicContact CG-CB 3.85Å
1057	S	28.6	Very low	43.8	Very low	61 Å²	61	115.5 Å²	115.5	43%	0.427	63%	0.632	S	S	.	*			trans	-118.8	152.1	-153.6	-53	0	0	0	0	115
1058	S	34.8	Very low	46.8	Very low	106 Å²	106	111 Å²	111	74%	0.741	62%	0.621	S	S	*	*			trans	-149.8	144.7	168.2	61	0	0	0	0	112.7
1059	C	27.3	Very low	49.8	Very low	121 Å²	121	106.1 Å²	106.1	82%	0.818	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-73	137.4	-173.9	-56.3	0	0	0	0	113.3
1060	V	40.3	Very low	53.1	Low	107 Å²	107	100.7 Å²	100.7	65%	0.648	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-81.9	140.3	177.3	179.6	0	0	0	0	111.3
1061	L	38.3	Very low	56.2	Low	94 Å²	94	98 Å²	98	49%	0.492	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-95.2	122.8	177.1	-111.5	160.6	0	0	0	111.4	R966 R1063	R966-L1061 HydrophobicContact CB-CD1 3.81Å; R966-L1061 HydrophobicContact CB-CD2 3.84Å; R966-L1061 HydrophobicContact CB-CG 4.49Å; R966-L1061 HydrophobicContact CG-CD1 4.23Å; R966-L1061 WeakPolarHBondContact O-CD1 3.44Å; L1061-R1063 PolarHBondContact O-N 2.82Å
1062	I	51.5	Low	59.5	Low	131 Å²	131	91.1 Å²	91.1	67%	0.672	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-70	120.3	-174.1	-56.1	173.9	0	0	0	110.7
1063	R	72.6	Confident	62.6	Low	169 Å²	169	87.6 Å²	87.6	64%	0.638	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-81.7	141	167	175.1	-171.5	159.1	115.9	-6	109.3	L1061 C1066	L1061-R1063 PolarHBondContact O-N 2.82Å; R1063-C1066 PolarHBondContact NH2-SG 3.46Å
1064	P	76.5	Confident	65.6	Low	92 Å²	92	85.2 Å²	85.2	60%	0.597	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-62.7	144.6	173.6	26.5	-35	0	0	0	111.7
1065	P	85.2	Confident	68.6	Low	53 Å²	53	74.3 Å²	74.3	34%	0.344	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-62.2	147.2	-175.9	26.5	-35.2	0	0	0	111.8	C1135 F1137	P1065-C1135 HydrophobicContact CG-CB 4.1Å; P1065-F1137 HydrophobicContact CB-CD1 4.42Å; P1065-F1137 WeakPolarHBondContact O-CB 3.35Å
1066	C	91.2	Very high	71.5	Confident	24 Å²	24	69.8 Å²	69.8	16%	0.162	40%	0.399	C	S	.	.			trans	-149.5	168.5	-177.9	73.4	0	0	0	0	112.4	R1063 A1068 D1069 F1070	R1063-C1066 PolarHBondContact NH2-SG 3.46Å; C1066-A1068 PolarHBondContact O-N 3.19Å; C1066-D1069 PolarHBondContact N-OD2 3.04Å; C1066-D1069 PolarHBondContact O-N 2.99Å; C1066-D1069 PolarHBondContact SG-OD2 3.29Å; C1066-F1070 WeakPolarHBondContact O-CD2 3.35Å
1067	E	90.4	Very high	74.1	Confident	81 Å²	81	68.9 Å²	68.9	38%	0.379	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-57.4	-26.7	-178	-169.9	163.2	-144.6	0	0	113.8	D1069 K1100 F1137 T1139	E1067-D1069 VanDerWaalsContact C-N 3.28Å; E1067-D1069 PolarHBondContact O-N 2.9Å; E1067-K1100 WeakPolarHBondContact OE1-CE 3.25Å; E1067-K1100 IonicContact OE1-NZ 3.59Å; E1067-K1100 PolarHBondContact OE1-NZ 3.45Å; E1067-F1137 HydrophobicContact CB-CE2 3.87Å; E1067-F1137 HydrophobicContact CB-CZ 4.27Å; E1067-F1137 VanDerWaalsContact N-CE2 3.34Å; E1067-T1139 HydrophobicContact CB-CG2 4.44Å; E1067-T1139 WeakPolarHBondContact OE2-CG2 3.46Å
1068	A	91.3	Very high	76.7	Confident	65 Å²	65	69.4 Å²	69.4	54%	0.537	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-72.6	-17	179.5	0	0	0	0	0	113.9	C1066 F1070 K1090	C1066-A1068 PolarHBondContact O-N 3.19Å; A1068-F1070 VanDerWaalsContact C-N 3.28Å; A1068-F1070 PolarHBondContact O-N 2.88Å; A1068-K1090 WeakPolarHBondContact O-CD 3.35Å; A1068-K1090 PolarHBondContact O-NZ 3.3Å
1069	D	93	Very high	78.5	Confident	42 Å²	42	66.3 Å²	66.3	23%	0.225	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-81.2	-11.7	-177	-51.2	-40.9	0	0	0	112.1	C1066 E1067 H1089 K1090	C1066-D1069 PolarHBondContact N-OD2 3.04Å; C1066-D1069 PolarHBondContact O-N 2.99Å; C1066-D1069 PolarHBondContact SG-OD2 3.29Å; E1067-D1069 VanDerWaalsContact C-N 3.28Å; E1067-D1069 PolarHBondContact O-N 2.9Å; D1069-H1089 PolarHBondContact O-CD2 3.06Å; D1069-K1090 WeakPolarHBondContact O-CB 3.45Å; D1069-K1090 WeakPolarHBondContact O-CG 3.44Å; D1069-K1090 PolarHBondContact O-N 3.35Å
1070	F	96	Very high	80.4	Confident	10 Å²	10	63.3 Å²	63.3	4%	0.044	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.6	-175.2	-58.2	-88.3	0	0	0	112.4	C1066 A1068 V1087 H1089 K1090 F1096 F1137 V1146	C1066-F1070 WeakPolarHBondContact O-CD2 3.35Å; A1068-F1070 VanDerWaalsContact C-N 3.28Å; A1068-F1070 PolarHBondContact O-N 2.88Å; F1070-V1087 HydrophobicContact CB-CB 4.19Å; F1070-V1087 HydrophobicContact CB-CG2 4.31Å; F1070-V1087 HydrophobicContact CD1-CB 4.43Å; F1070-V1087 HydrophobicContact CD1-CG2 3.7Å; F1070-V1087 HydrophobicContact CE1-CG2 4.43Å; F1070-V1087 HydrophobicContact CG-CG2 4.23Å; F1070-H1089 HydrophobicContact CD1-CB 4.17Å; F1070-H1089 HydrophobicContact CE1-CB 4.18Å; F1070-K1090 WeakPolarHBondContact O-CE 3.38Å; F1070-K1090 PolarHBondContact O-NZ 3.15Å; F1070-F1096 HydrophobicContact CE1-CD2 4.28Å; F1070-F1137 HydrophobicContact CD2-CE1 4.23Å; F1070-F1137 HydrophobicContact CD2-CZ 4.43Å; F1070-F1137 AromaticContact CE2-CE1 3.74Å; F1070-F1137 HydrophobicContact CE2-CE1 3.74Å; F1070-F1137 HydrophobicContact CE2-CZ 4.38Å; F1070-V1146 HydrophobicContact CE1-CG1 4.11Å; F1070-V1146 HydrophobicContact CE1-CG2 4.32Å; F1070-V1146 HydrophobicContact CE2-CG2 4.18Å; F1070-V1146 HydrophobicContact CZ-CG1 4.21Å; F1070-V1146 HydrophobicContact CZ-CG2 3.79Å
1071	D	94.5	Very high	81.8	Confident	43 Å²	43	59.8 Å²	59.8	23%	0.23	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125.9	159.5	-66.2	-27.5	0	0	0	108	V1087 R1088 K1090 R1093	D1071-V1087 CarbonylContact O-C 3.17Å; D1071-V1087 WeakPolarHBondContact O-CA 3.49Å; D1071-V1087 WeakPolarHBondContact O-CB 3.22Å; D1071-R1088 HydrophobicContact CB-CB 4.47Å; D1071-R1088 WeakPolarHBondContact CB-O 3.36Å; D1071-R1088 PolarHBondContact N-O 2.7Å; D1071-R1088 PolarHBondContact O-N 3.38Å; D1071-R1088 IonicContact OD2-CZ 2.7Å; D1071-R1088 IonicContact OD2-NE 2.83Å; D1071-R1088 IonicContact OD2-NH2 3.95Å; D1071-R1088 PolarHBondContact OD2-NH2 3.18Å; D1071-K1090 WeakPolarHBondContact OD1-CE 3.3Å; D1071-K1090 VanDerWaalsContact OD1-CG 3.29Å; D1071-K1090 WeakPolarHBondContact OD1-CG 3.5Å; D1071-R1093 IonicContact OD2-NH1 3.62Å
1072	V	93.8	Very high	83.9	Confident	72 Å²	72	56 Å²	56	44%	0.436	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	116.8	171.1	179.8	0	0	0	0	108.8	Y1085 V1087	V1072-Y1085 HydrophobicContact CG1-CD1 3.62Å; V1072-Y1085 HydrophobicContact CG1-CE1 4.37Å; V1072-Y1085 HydrophobicContact CG1-CG 4.08Å; V1072-V1087 HydrophobicContact CB-CG1 4.49Å; V1072-V1087 HydrophobicContact CG2-CG1 4.1Å
1073	I	91.8	Very high	85.7	Confident	61 Å²	61	50.3 Å²	50.3	31%	0.313	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-60.2	-178.2	-62	163.8	0	0	0	110.1	L1086 R1088 E1374	I1073-L1086 HydrophobicContact CB-CD2 4.42Å; I1073-L1086 HydrophobicContact CB-CG 4.18Å; I1073-L1086 HydrophobicContact CD1-CD2 4.41Å; I1073-L1086 HydrophobicContact CD1-CG 4.11Å; I1073-L1086 HydrophobicContact CG2-CD2 4.25Å; I1073-L1086 PolarHBondContact N-O 3.25Å; I1073-R1088 HydrophobicContact CD1-CB 3.57Å; I1073-R1088 HydrophobicContact CG1-CB 4.36Å; I1073-E1374 HydrophobicContact CD1-CG 4.29Å; I1073-E1374 WeakPolarHBondContact CD1-OE2 2.92Å
1074	K	90.7	Very high	86.7	Confident	41 Å²	41	43.3 Å²	43.3	18%	0.178	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	153.3	-172.6	-155.8	-172.6	-178	-172.6	0	112.4	I1076 Y1085 L1086 T1376 D1384	K1074-I1076 HydrophobicContact CB-CG2 4.42Å; K1074-Y1085 CarbonylContact O-C 3.49Å; K1074-Y1085 WeakPolarHBondContact O-CA 3.46Å; K1074-Y1085 WeakPolarHBondContact O-CB 3.43Å; K1074-L1086 HydrophobicContact CB-CB 4.47Å; K1074-L1086 PolarHBondContact N-O 3.39Å; K1074-L1086 PolarHBondContact O-N 3.28Å; K1074-T1376 HydrophobicContact CD-CG2 3.84Å; K1074-T1376 WeakPolarHBondContact CD-OG1 3.31Å; K1074-T1376 PolarHBondContact NZ-OG1 2.93Å; K1074-D1384 WeakPolarHBondContact CE-OD1 3.22Å; K1074-D1384 WeakPolarHBondContact CE-OD2 3.45Å; K1074-D1384 IonicContact NZ-OD2 2.68Å; K1074-D1384 PolarHBondContact NZ-OD2 3.26Å; K1074-D1384 VanDerWaalsContact NZ-OD2 3.12Å
1075	L	91.2	Very high	87.5	Confident	9 Å²	9	40.2 Å²	40.2	5%	0.047	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	113.1	163.7	176.7	57.9	0	0	0	108	S1077 A1083 Y1085 T1383	L1075-S1077 VanDerWaalsContact CD1-O 3.24Å; L1075-S1077 WeakPolarHBondContact CD1-O 3.41Å; L1075-A1083 HydrophobicContact CD1-CB 3.8Å; L1075-Y1085 HydrophobicContact CB-CD1 4.13Å; L1075-Y1085 HydrophobicContact CB-CE1 4.06Å; L1075-Y1085 HydrophobicContact CD1-CD1 4.19Å; L1075-Y1085 HydrophobicContact CD1-CE1 3.92Å; L1075-Y1085 HydrophobicContact CD1-CE2 4.44Å; L1075-Y1085 HydrophobicContact CG-CE1 4.5Å; L1075-T1383 WeakPolarHBondContact CD2-O 3.33Å; L1075-T1383 WeakPolarHBondContact O-CB 3.33Å; L1075-T1383 PolarHBondContact O-OG1 3.18Å
1076	I	90.1	Very high	88	Confident	8 Å²	8	37.7 Å²	37.7	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-23.7	-175.8	58.1	173.6	0	0	0	113.4	K1074 V1084 L1086 Y1149 T1376 F1379	K1074-I1076 HydrophobicContact CB-CG2 4.42Å; I1076-V1084 HydrophobicContact CD1-CG1 4.11Å; I1076-V1084 HydrophobicContact CG1-CB 4.3Å; I1076-V1084 HydrophobicContact CG1-CG1 4.05Å; I1076-V1084 VanDerWaalsContact CG1-O 3.27Å; I1076-V1084 WeakPolarHBondContact CG1-O 3.22Å; I1076-V1084 PolarHBondContact N-O 3.46Å; I1076-L1086 HydrophobicContact CD1-CB 4.35Å; I1076-L1086 HydrophobicContact CG2-CB 3.65Å; I1076-Y1149 HydrophobicContact CD1-CD2 4.01Å; I1076-Y1149 HydrophobicContact CD1-CE2 3.8Å; I1076-T1376 HydrophobicContact CG2-CG2 3.78Å; I1076-F1379 HydrophobicContact CB-CD1 3.88Å; I1076-F1379 HydrophobicContact CB-CE1 3.99Å; I1076-F1379 HydrophobicContact CB-CG 4.26Å; I1076-F1379 HydrophobicContact CB-CZ 4.46Å; I1076-F1379 HydrophobicContact CD1-CE1 4.19Å; I1076-F1379 HydrophobicContact CD1-CZ 4.31Å; I1076-F1379 HydrophobicContact CG1-CE1 4.44Å; I1076-F1379 WeakPolarHBondContact O-CD1 3.45Å
1077	S	87.2	Confident	88.2	Confident	56 Å²	56	36.5 Å²	36.5	39%	0.392	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	151.6	169.9	-178.3	0	0	0	0	111.2	L1075 V1084	L1075-S1077 VanDerWaalsContact CD1-O 3.24Å; L1075-S1077 WeakPolarHBondContact CD1-O 3.41Å; S1077-V1084 PolarHBondContact N-O 3Å; S1077-V1084 VanDerWaalsContact N-O 3.14Å; S1077-V1084 PolarHBondContact O-N 3.5Å
1078	N	83	Confident	88.5	Confident	72 Å²	72	35.3 Å²	35.3	39%	0.385	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	87.8	177.1	-170.7	28.1	0	0	0	109.6
1079	G	73.2	Confident	88.7	Confident	41 Å²	41	32.9 Å²	32.9	42%	0.423	19%	0.194	S	C	.	.			trans	-91	176	-174	0	0	0	0	0	113.4	Y1081 G1082	G1079-Y1081 PolarHBondContact O-N 2.93Å; G1079-G1082 PolarHBondContact N-O 3.42Å; G1079-G1082 PolarHBondContact O-N 3.08Å
1080	A	66.8	Low	88.7	Confident	58 Å²	58	35.2 Å²	35.2	48%	0.479	20%	0.203	S	C	.	.	S	Bend	trans	-58.2	-33.5	-180	0	0	0	0	0	113.1	R1109	A1080-R1109 PolarHBondContact O-NH1 3.27Å
1081	Y	69.2	Low	88.5	Confident	33 Å²	33	38.2 Å²	38.2	13%	0.129	22%	0.218	C	C	.	.	S	Bend	trans	-86.8	-31.6	-176.4	-57.1	-76.3	0	0	0	113.8	G1079 Q1114 L1215	G1079-Y1081 PolarHBondContact O-N 2.93Å; Y1081-Q1114 PolarHBondContact OH-NE2 3.27Å; Y1081-L1215 WeakPolarHBondContact OH-CG 3.45Å
1082	G	82.6	Confident	88.4	Confident	14 Å²	14	38.3 Å²	38.3	14%	0.144	22%	0.221	C	C	.	.			trans	175.5	176.9	-173.7	0	0	0	0	0	113.7	G1079 K1100	G1079-G1082 PolarHBondContact N-O 3.42Å; G1079-G1082 PolarHBondContact O-N 3.08Å; G1082-K1100 VanDerWaalsContact CA-O 3.3Å; G1082-K1100 WeakPolarHBondContact CA-O 3.48Å
1083	A	90.2	Very high	88.3	Confident	13 Å²	13	42.1 Å²	42.1	11%	0.107	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	133.4	-179	0	0	0	0	0	110.7	L1075 Y1085 K1100	L1075-A1083 HydrophobicContact CD1-CB 3.8Å; A1083-Y1085 HydrophobicContact CB-CD2 4.45Å; A1083-Y1085 HydrophobicContact CB-CE2 3.61Å; A1083-K1100 PolarHBondContact N-O 2.85Å; A1083-K1100 VanDerWaalsContact N-O 3.1Å; A1083-K1100 PolarHBondContact O-N 3.02Å
1084	V	92.7	Very high	88.3	Confident	21 Å²	21	43.9 Å²	43.9	13%	0.127	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.5	177.5	-169.5	0	0	0	0	109.1	I1076 S1077 L1098 K1099 M1147	I1076-V1084 HydrophobicContact CD1-CG1 4.11Å; I1076-V1084 HydrophobicContact CG1-CB 4.3Å; I1076-V1084 HydrophobicContact CG1-CG1 4.05Å; I1076-V1084 VanDerWaalsContact CG1-O 3.27Å; I1076-V1084 WeakPolarHBondContact CG1-O 3.22Å; I1076-V1084 PolarHBondContact N-O 3.46Å; S1077-V1084 PolarHBondContact N-O 3Å; S1077-V1084 VanDerWaalsContact N-O 3.14Å; S1077-V1084 PolarHBondContact O-N 3.5Å; V1084-L1098 WeakPolarHBondContact CA-O 3.37Å; V1084-K1099 HydrophobicContact CG2-CB 4.17Å; V1084-K1099 HydrophobicContact CG2-CG 4.03Å; V1084-M1147 HydrophobicContact CG1-CE 4.16Å
1085	Y	94.2	Very high	88.5	Confident	27 Å²	27	45.1 Å²	45.1	11%	0.106	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.5	-179.6	-61.2	-95.2	0	0	0	110.8	V1072 K1074 L1075 A1083 V1087 L1098 K1100	V1072-Y1085 HydrophobicContact CG1-CD1 3.62Å; V1072-Y1085 HydrophobicContact CG1-CE1 4.37Å; V1072-Y1085 HydrophobicContact CG1-CG 4.08Å; K1074-Y1085 CarbonylContact O-C 3.49Å; K1074-Y1085 WeakPolarHBondContact O-CA 3.46Å; K1074-Y1085 WeakPolarHBondContact O-CB 3.43Å; L1075-Y1085 HydrophobicContact CB-CD1 4.13Å; L1075-Y1085 HydrophobicContact CB-CE1 4.06Å; L1075-Y1085 HydrophobicContact CD1-CD1 4.19Å; L1075-Y1085 HydrophobicContact CD1-CE1 3.92Å; L1075-Y1085 HydrophobicContact CD1-CE2 4.44Å; L1075-Y1085 HydrophobicContact CG-CE1 4.5Å; A1083-Y1085 HydrophobicContact CB-CD2 4.45Å; A1083-Y1085 HydrophobicContact CB-CE2 3.61Å; Y1085-V1087 PolarHBondContact O-N 3.08Å; Y1085-L1098 PolarHBondContact N-O 3Å; Y1085-L1098 PolarHBondContact O-N 3.36Å; Y1085-K1100 HydrophobicContact CD2-CD 3.98Å; Y1085-K1100 HydrophobicContact CD2-CG 3.97Å; Y1085-K1100 HydrophobicContact CE2-CB 4.26Å; Y1085-K1100 HydrophobicContact CE2-CD 3.7Å; Y1085-K1100 HydrophobicContact CE2-CG 3.94Å
1086	L	95.4	Very high	88.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	120.6	157.7	171.3	58.5	0	0	0	107.3	I1073 K1074 I1076 R1095 Y1149 T1376	I1073-L1086 HydrophobicContact CB-CD2 4.42Å; I1073-L1086 HydrophobicContact CB-CG 4.18Å; I1073-L1086 HydrophobicContact CD1-CD2 4.41Å; I1073-L1086 HydrophobicContact CD1-CG 4.11Å; I1073-L1086 HydrophobicContact CG2-CD2 4.25Å; I1073-L1086 PolarHBondContact N-O 3.25Å; K1074-L1086 HydrophobicContact CB-CB 4.47Å; K1074-L1086 PolarHBondContact N-O 3.39Å; K1074-L1086 PolarHBondContact O-N 3.28Å; I1076-L1086 HydrophobicContact CD1-CB 4.35Å; I1076-L1086 HydrophobicContact CG2-CB 3.65Å; L1086-R1095 HydrophobicContact CD1-CB 4.11Å; L1086-Y1149 HydrophobicContact CB-CE2 4.43Å; L1086-Y1149 HydrophobicContact CD1-CD1 3.82Å; L1086-Y1149 HydrophobicContact CD1-CD2 3.8Å; L1086-Y1149 HydrophobicContact CD1-CE1 3.9Å; L1086-Y1149 HydrophobicContact CD1-CE2 3.9Å; L1086-Y1149 HydrophobicContact CD1-CG 3.78Å; L1086-Y1149 HydrophobicContact CD2-CE1 4.34Å; L1086-Y1149 HydrophobicContact CD2-CE2 4.48Å; L1086-Y1149 HydrophobicContact CG-CE2 4.49Å; L1086-T1376 HydrophobicContact CD2-CG2 3.97Å
1087	V	95.8	Very high	89	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	152.9	176.2	-54.3	0	0	0	0	110.8	F1070 D1071 V1072 Y1085 R1095 F1096 L1098	F1070-V1087 HydrophobicContact CB-CB 4.19Å; F1070-V1087 HydrophobicContact CB-CG2 4.31Å; F1070-V1087 HydrophobicContact CD1-CB 4.43Å; F1070-V1087 HydrophobicContact CD1-CG2 3.7Å; F1070-V1087 HydrophobicContact CE1-CG2 4.43Å; F1070-V1087 HydrophobicContact CG-CG2 4.23Å; D1071-V1087 CarbonylContact O-C 3.17Å; D1071-V1087 WeakPolarHBondContact O-CA 3.49Å; D1071-V1087 WeakPolarHBondContact O-CB 3.22Å; V1072-V1087 HydrophobicContact CB-CG1 4.49Å; V1072-V1087 HydrophobicContact CG2-CG1 4.1Å; Y1085-V1087 PolarHBondContact O-N 3.08Å; V1087-R1095 CarbonylContact O-C 3.54Å; V1087-R1095 VanDerWaalsContact O-CA 3.31Å; V1087-R1095 WeakPolarHBondContact O-CA 3.3Å; V1087-F1096 HydrophobicContact CG2-CB 3.96Å; V1087-F1096 PolarHBondContact N-O 3.28Å; V1087-F1096 PolarHBondContact O-N 3.14Å; V1087-L1098 HydrophobicContact CB-CB 4.36Å; V1087-L1098 HydrophobicContact CG1-CB 3.54Å; V1087-L1098 HydrophobicContact CG1-CD2 3.82Å; V1087-L1098 HydrophobicContact CG1-CG 4.32Å; V1087-L1098 HydrophobicContact CG2-CB 3.81Å
1088	R	95.6	Very high	89.4	Confident	56 Å²	56	42.3 Å²	42.3	21%	0.211	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.7	174.9	173.8	178.4	62.7	-132.5	-10.1	108.8	D1071 I1073 K1090 R1093 Q1094 R1095 E1374	D1071-R1088 HydrophobicContact CB-CB 4.47Å; D1071-R1088 WeakPolarHBondContact CB-O 3.36Å; D1071-R1088 PolarHBondContact N-O 2.7Å; D1071-R1088 PolarHBondContact O-N 3.38Å; D1071-R1088 IonicContact OD2-CZ 2.7Å; D1071-R1088 IonicContact OD2-NE 2.83Å; D1071-R1088 IonicContact OD2-NH2 3.95Å; D1071-R1088 PolarHBondContact OD2-NH2 3.18Å; I1073-R1088 HydrophobicContact CD1-CB 3.57Å; I1073-R1088 HydrophobicContact CG1-CB 4.36Å; R1088-K1090 PolarHBondContact O-N 3.41Å; R1088-R1093 WeakPolarHBondContact CG-O 3.23Å; R1088-Q1094 WeakPolarHBondContact CA-O 3.39Å; R1088-R1095 HydrophobicContact CB-CG 4.41Å; R1088-E1374 IonicContact CZ-OE1 3.36Å; R1088-E1374 IonicContact CZ-OE2 2.72Å; R1088-E1374 IonicContact NH1-OE1 2.64Å; R1088-E1374 PolarHBondContact NH1-OE1 2.79Å; R1088-E1374 IonicContact NH1-OE2 2.75Å; R1088-E1374 PolarHBondContact NH1-OE2 2.8Å
1089	H	94.8	Very high	89.9	Confident	13 Å²	13	39.5 Å²	39.5	6%	0.06	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	133.4	176.5	179.1	-125.3	0	0	0	110.7	I978 D1069 F1070 I1091 T1092 R1093 Q1094 F1096	I978-H1089 HydrophobicContact CD1-CB 3.35Å; I978-H1089 VanDerWaalsContact CD1-ND1 3.25Å; I978-H1089 WeakPolarHBondContact CD1-ND1 3.26Å; I978-H1089 HydrophobicContact CG1-CB 4.44Å; I978-H1089 VanDerWaalsContact CG1-CE1 3.49Å; I978-H1089 WeakPolarHBondContact CG1-CE1 3.35Å; I978-H1089 WeakPolarHBondContact CG1-ND1 3.27Å; D1069-H1089 PolarHBondContact O-CD2 3.06Å; F1070-H1089 HydrophobicContact CD1-CB 4.17Å; F1070-H1089 HydrophobicContact CE1-CB 4.18Å; H1089-I1091 VanDerWaalsContact C-N 3.34Å; H1089-I1091 PolarHBondContact O-N 3.49Å; H1089-T1092 PolarHBondContact ND1-N 2.9Å; H1089-T1092 PolarHBondContact ND1-OG1 3.1Å; H1089-R1093 VanDerWaalsContact O-CA 3.26Å; H1089-R1093 WeakPolarHBondContact O-CA 3.32Å; H1089-R1093 PolarHBondContact O-N 2.86Å; H1089-Q1094 PolarHBondContact N-O 3.07Å; H1089-F1096 HydrophobicContact CB-CE2 4.31Å
1090	K	93.6	Very high	90.8	Very high	92 Å²	92	39.2 Å²	39.2	40%	0.4	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-39.8	-171.2	-75.1	169.1	-179.3	163.6	0	113	A1068 D1069 F1070 D1071 R1088	A1068-K1090 WeakPolarHBondContact O-CD 3.35Å; A1068-K1090 PolarHBondContact O-NZ 3.3Å; D1069-K1090 WeakPolarHBondContact O-CB 3.45Å; D1069-K1090 WeakPolarHBondContact O-CG 3.44Å; D1069-K1090 PolarHBondContact O-N 3.35Å; F1070-K1090 WeakPolarHBondContact O-CE 3.38Å; F1070-K1090 PolarHBondContact O-NZ 3.15Å; D1071-K1090 WeakPolarHBondContact OD1-CE 3.3Å; D1071-K1090 VanDerWaalsContact OD1-CG 3.29Å; D1071-K1090 WeakPolarHBondContact OD1-CG 3.5Å; R1088-K1090 PolarHBondContact O-N 3.41Å
1091	I	91.2	Very high	92	Very high	73 Å²	73	36.5 Å²	36.5	37%	0.374	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-46.6	-171.7	-61.1	163.6	0	0	0	112.1	A974 H1089	A974-I1091 HydrophobicContact CB-CD1 3.95Å; H1089-I1091 VanDerWaalsContact C-N 3.34Å; H1089-I1091 PolarHBondContact O-N 3.49Å
1092	T	93.1	Very high	92.9	Very high	45 Å²	45	38.8 Å²	38.8	28%	0.276	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-8.5	-175.4	53.9	0	0	0	0	114.1	I978 H1089 Q1094	I978-T1092 HydrophobicContact CG1-CG2 4.48Å; H1089-T1092 PolarHBondContact ND1-N 2.9Å; H1089-T1092 PolarHBondContact ND1-OG1 3.1Å; T1092-Q1094 PolarHBondContact O-N 3.48Å
1093	R	92.4	Very high	93.3	Very high	151 Å²	151	40.1 Å²	40.1	57%	0.57	18%	0.178	S	C	*	.			trans	57.7	4.7	-172.7	-55.2	-55	-153.5	173.6	8.9	115.7	D1071 R1088 H1089	D1071-R1093 IonicContact OD2-NH1 3.62Å; R1088-R1093 WeakPolarHBondContact CG-O 3.23Å; H1089-R1093 VanDerWaalsContact O-CA 3.26Å; H1089-R1093 WeakPolarHBondContact O-CA 3.32Å; H1089-R1093 PolarHBondContact O-N 2.86Å
1094	Q	92.3	Very high	93	Very high	98 Å²	98	45.7 Å²	45.7	46%	0.458	20%	0.202	S	C	.	.			trans	-69.3	147.7	175.3	-170.1	177.9	9.5	0	0	111.3	R1088 H1089 T1092 F1096	R1088-Q1094 WeakPolarHBondContact CA-O 3.39Å; H1089-Q1094 PolarHBondContact N-O 3.07Å; T1092-Q1094 PolarHBondContact O-N 3.48Å; Q1094-F1096 HydrophobicContact CB-CE2 3.77Å; Q1094-F1096 HydrophobicContact CB-CZ 4.07Å; Q1094-F1096 HydrophobicContact CG-CE1 4.44Å; Q1094-F1096 HydrophobicContact CG-CE2 3.71Å; Q1094-F1096 HydrophobicContact CG-CZ 3.59Å
1095	R	94	Very high	92.6	Very high	68 Å²	68	48.3 Å²	48.3	26%	0.257	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	146.7	-172.1	-56	-176	-165.8	97.9	-12.1	112.1	L1086 V1087 R1088 D1373 E1374	L1086-R1095 HydrophobicContact CD1-CB 4.11Å; V1087-R1095 CarbonylContact O-C 3.54Å; V1087-R1095 VanDerWaalsContact O-CA 3.31Å; V1087-R1095 WeakPolarHBondContact O-CA 3.3Å; R1088-R1095 HydrophobicContact CB-CG 4.41Å; R1095-D1373 VanDerWaalsContact CD-O 3.25Å; R1095-D1373 WeakPolarHBondContact CD-O 3.42Å; R1095-D1373 IonicContact CZ-OD2 2.61Å; R1095-D1373 PolarHBondContact NE-O 3.22Å; R1095-D1373 PolarHBondContact NH1-O 2.92Å; R1095-D1373 IonicContact NH1-OD2 2.77Å; R1095-D1373 PolarHBondContact NH1-OD2 3.35Å; R1095-D1373 IonicContact NH2-OD2 2.69Å; R1095-D1373 PolarHBondContact NH2-OD2 2.85Å; R1095-E1374 IonicContact CZ-OE1 3.2Å; R1095-E1374 IonicContact NE-OE1 3.25Å; R1095-E1374 PolarHBondContact NE-OE1 3.4Å; R1095-E1374 IonicContact NH2-OE1 3.83Å; R1095-E1374 PolarHBondContact NH2-OE1 3.27Å
1096	F	95.8	Very high	92	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	160.1	-172.1	-61.6	-84	0	0	0	111.7	I978 F1070 V1087 H1089 Q1094 C1134 V1146 M1147	I978-F1096 HydrophobicContact CD1-CD2 4.4Å; I978-F1096 HydrophobicContact CD1-CE2 3.43Å; I978-F1096 VanDerWaalsContact CD1-CE2 3.43Å; I978-F1096 HydrophobicContact CD1-CZ 3.73Å; I978-F1096 HydrophobicContact CG2-CZ 3.93Å; F1070-F1096 HydrophobicContact CE1-CD2 4.28Å; V1087-F1096 HydrophobicContact CG2-CB 3.96Å; V1087-F1096 PolarHBondContact N-O 3.28Å; V1087-F1096 PolarHBondContact O-N 3.14Å; H1089-F1096 HydrophobicContact CB-CE2 4.31Å; Q1094-F1096 HydrophobicContact CB-CE2 3.77Å; Q1094-F1096 HydrophobicContact CB-CZ 4.07Å; Q1094-F1096 HydrophobicContact CG-CE1 4.44Å; Q1094-F1096 HydrophobicContact CG-CE2 3.71Å; Q1094-F1096 HydrophobicContact CG-CZ 3.59Å; F1096-C1134 HydrophobicContact CD1-CB 4.21Å; F1096-C1134 HydrophobicContact CE1-CB 4.06Å; F1096-V1146 HydrophobicContact CB-CG1 3.6Å; F1096-V1146 HydrophobicContact CD1-CG1 3.77Å; F1096-V1146 HydrophobicContact CD2-CG1 4.38Å; F1096-V1146 HydrophobicContact CG-CG1 3.65Å; F1096-M1147 WeakPolarHBondContact CA-O 3.48Å; F1096-M1147 WeakPolarHBondContact CB-O 3.38Å
1097	S	95.5	Very high	91.2	Very high	8 Å²	8	51.4 Å²	51.4	6%	0.056	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	110.7	168.4	-55.5	0	0	0	0	110	M1147 E1148	S1097-M1147 PolarHBondContact N-O 2.69Å; S1097-M1147 PolarHBondContact O-N 2.84Å; S1097-E1148 VanDerWaalsContact CB-O 3.31Å; S1097-E1148 WeakPolarHBondContact CB-O 3.31Å; S1097-E1148 PolarHBondContact OG-O 2.85Å
1098	L	95.3	Very high	90.4	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	99.9	175.8	177.1	57.4	0	0	0	110.8	V1084 Y1085 V1087 K1100 F1137 C1144 M1145 V1146	V1084-L1098 WeakPolarHBondContact CA-O 3.37Å; Y1085-L1098 PolarHBondContact N-O 3Å; Y1085-L1098 PolarHBondContact O-N 3.36Å; V1087-L1098 HydrophobicContact CB-CB 4.36Å; V1087-L1098 HydrophobicContact CG1-CB 3.54Å; V1087-L1098 HydrophobicContact CG1-CD2 3.82Å; V1087-L1098 HydrophobicContact CG1-CG 4.32Å; V1087-L1098 HydrophobicContact CG2-CB 3.81Å; L1098-K1100 VanDerWaalsContact CD2-CE 3.45Å; L1098-K1100 HydrophobicContact CD2-CG 4.36Å; L1098-K1100 HydrophobicContact CG-CG 3.98Å; L1098-K1100 PolarHBondContact O-N 3.34Å; L1098-F1137 HydrophobicContact CD1-CE1 4.15Å; L1098-F1137 HydrophobicContact CD1-CZ 3.89Å; L1098-F1137 HydrophobicContact CD2-CZ 4.43Å; L1098-C1144 HydrophobicContact CD1-CB 3.84Å; L1098-M1145 CarbonylContact C-O 3.53Å; L1098-M1145 WeakPolarHBondContact CA-O 3.29Å; L1098-V1146 HydrophobicContact CD1-CG2 4.01Å
1099	K	94.1	Very high	89.5	Confident	14 Å²	14	57.3 Å²	57.3	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	109.7	173.9	-172.7	173.6	-167.5	176.5	0	109.5	V1084 I1101 E1118 C1144 M1145 M1147 D1212	V1084-K1099 HydrophobicContact CG2-CB 4.17Å; V1084-K1099 HydrophobicContact CG2-CG 4.03Å; K1099-I1101 HydrophobicContact CD-CD1 4.34Å; K1099-I1101 HydrophobicContact CG-CD1 4.2Å; K1099-I1101 HydrophobicContact CG-CG1 4.09Å; K1099-E1118 IonicContact NZ-OE1 2.84Å; K1099-E1118 PolarHBondContact NZ-OE1 3.33Å; K1099-C1144 WeakPolarHBondContact O-CA 3.44Å; K1099-M1145 HydrophobicContact CB-CB 4.3Å; K1099-M1145 HydrophobicContact CD-SD 4.27Å; K1099-M1145 PolarHBondContact N-O 2.71Å; K1099-M1145 PolarHBondContact O-N 3.13Å; K1099-M1147 HydrophobicContact CB-CE 3.84Å; K1099-M1147 HydrophobicContact CB-SD 4.33Å; K1099-M1147 HydrophobicContact CD-CE 4.33Å; K1099-M1147 HydrophobicContact CD-SD 4.26Å; K1099-D1212 IonicContact NZ-OD1 2.67Å; K1099-D1212 PolarHBondContact NZ-OD1 2.87Å
1100	K	93.2	Very high	88.7	Confident	35 Å²	35	62 Å²	62	15%	0.152	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.6	177.6	-57.4	-167.5	-170.4	-174.4	0	110.5	E1067 G1082 A1083 Y1085 L1098	E1067-K1100 WeakPolarHBondContact OE1-CE 3.25Å; E1067-K1100 IonicContact OE1-NZ 3.59Å; E1067-K1100 PolarHBondContact OE1-NZ 3.45Å; G1082-K1100 VanDerWaalsContact CA-O 3.3Å; G1082-K1100 WeakPolarHBondContact CA-O 3.48Å; A1083-K1100 PolarHBondContact N-O 2.85Å; A1083-K1100 VanDerWaalsContact N-O 3.1Å; A1083-K1100 PolarHBondContact O-N 3.02Å; Y1085-K1100 HydrophobicContact CD2-CD 3.98Å; Y1085-K1100 HydrophobicContact CD2-CG 3.97Å; Y1085-K1100 HydrophobicContact CE2-CB 4.26Å; Y1085-K1100 HydrophobicContact CE2-CD 3.7Å; Y1085-K1100 HydrophobicContact CE2-CG 3.94Å; L1098-K1100 VanDerWaalsContact CD2-CE 3.45Å; L1098-K1100 HydrophobicContact CD2-CG 4.36Å; L1098-K1100 HydrophobicContact CG-CG 3.98Å; L1098-K1100 PolarHBondContact O-N 3.34Å
1101	I	90.4	Very high	88	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.5	-174.8	-58.3	176.5	0	0	0	109.2	K1099 K1103 L1106 V1115 C1142 L1143 M1145	K1099-I1101 HydrophobicContact CD-CD1 4.34Å; K1099-I1101 HydrophobicContact CG-CD1 4.2Å; K1099-I1101 HydrophobicContact CG-CG1 4.09Å; I1101-K1103 PolarHBondContact O-N 3.04Å; I1101-L1106 HydrophobicContact CG2-CD1 3.63Å; I1101-L1106 HydrophobicContact CG2-CD2 3.64Å; I1101-L1106 HydrophobicContact CG2-CG 3.64Å; I1101-V1115 HydrophobicContact CD1-CG1 4.26Å; I1101-V1115 HydrophobicContact CD1-CG2 4.31Å; I1101-C1142 CarbonylContact O-C 3.14Å; I1101-C1142 WeakPolarHBondContact O-CA 3.29Å; I1101-L1143 PolarHBondContact N-O 3.39Å; I1101-L1143 PolarHBondContact O-N 2.93Å; I1101-M1145 HydrophobicContact CD1-SD 3.93Å
1102	R	89.5	Confident	87.6	Confident	80 Å²	80	57.6 Å²	57.6	30%	0.302	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	119.2	-176.8	-77.9	-179.1	171	166.4	1.5	111.4	Q1104 H1105 L1106 D1389	R1102-Q1104 VanDerWaalsContact C-N 3.25Å; R1102-Q1104 PolarHBondContact O-N 3.39Å; R1102-H1105 HydrophobicContact CB-CB 4.11Å; R1102-H1105 WeakPolarHBondContact O-CB 3.47Å; R1102-H1105 PolarHBondContact O-N 2.83Å; R1102-L1106 PolarHBondContact O-N 3.29Å; R1102-D1389 PolarHBondContact NH1-O 2.85Å; R1102-D1389 PolarHBondContact NH2-O 2.65Å
1103	K	90.4	Very high	86.9	Confident	43 Å²	43	62 Å²	62	19%	0.187	28%	0.284	C	S	.	.	H	α-helix	trans	-54.6	-40.3	-179.7	-73.8	173.1	168.1	178.3	0	112.5	I1101 H1105 L1106 Q1107 E1138 T1139 K1141 C1142 L1143	I1101-K1103 PolarHBondContact O-N 3.04Å; K1103-H1105 PolarHBondContact O-N 3.09Å; K1103-L1106 PolarHBondContact O-N 3.05Å; K1103-Q1107 WeakPolarHBondContact O-CG 3.45Å; K1103-Q1107 PolarHBondContact O-N 3.04Å; K1103-Q1107 VanDerWaalsContact O-N 3.09Å; K1103-E1138 WeakPolarHBondContact CE-OE2 3.33Å; K1103-E1138 IonicContact NZ-OE1 2.76Å; K1103-E1138 PolarHBondContact NZ-OE1 3.3Å; K1103-E1138 IonicContact NZ-OE2 3.17Å; K1103-E1138 PolarHBondContact NZ-OE2 3.05Å; K1103-T1139 PolarHBondContact NZ-O 3Å; K1103-K1141 WeakPolarHBondContact CB-O 3.09Å; K1103-K1141 PolarHBondContact N-O 3.35Å; K1103-C1142 WeakPolarHBondContact CE-O 3.26Å; K1103-L1143 HydrophobicContact CG-CD2 4.41Å; K1103-L1143 HydrophobicContact CG-CG 4.08Å
1104	Q	84.9	Confident	86.3	Confident	130 Å²	130	56.6 Å²	56.6	61%	0.607	27%	0.265	S	S	*	.	H	α-helix	trans	-64.5	-36.9	176.8	-66.4	-178.3	-2.6	0	0	112.6	R1102 Q1107 L1108	R1102-Q1104 VanDerWaalsContact C-N 3.25Å; R1102-Q1104 PolarHBondContact O-N 3.39Å; Q1104-Q1107 PolarHBondContact O-N 3.14Å; Q1104-L1108 WeakPolarHBondContact O-CB 3.1Å; Q1104-L1108 VanDerWaalsContact O-CG 3.23Å; Q1104-L1108 WeakPolarHBondContact O-CG 3.29Å; Q1104-L1108 PolarHBondContact O-N 3.49Å
1105	H	82.4	Confident	85.9	Confident	75 Å²	75	52.3 Å²	52.3	35%	0.347	25%	0.245	S	C	.	.	H	α-helix	trans	-68	-42.2	178.1	-67.6	-168.8	0	0	0	110.8	R1102 K1103 Q1107 L1108 R1109	R1102-H1105 HydrophobicContact CB-CB 4.11Å; R1102-H1105 WeakPolarHBondContact O-CB 3.47Å; R1102-H1105 PolarHBondContact O-N 2.83Å; K1103-H1105 PolarHBondContact O-N 3.09Å; H1105-Q1107 PolarHBondContact O-N 3.44Å; H1105-L1108 PolarHBondContact O-N 2.8Å; H1105-R1109 WeakPolarHBondContact O-CB 3.33Å; H1105-R1109 WeakPolarHBondContact O-CG 3.32Å; H1105-R1109 PolarHBondContact O-N 2.89Å
1106	L	82.6	Confident	85.5	Confident	6 Å²	6	53.9 Å²	53.9	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-60.9	-42.9	175.1	-63.5	-179.4	0	0	0	112.6	I1101 R1102 K1103 N1110 Q1111 V1112 V1115 L1143	I1101-L1106 HydrophobicContact CG2-CD1 3.63Å; I1101-L1106 HydrophobicContact CG2-CD2 3.64Å; I1101-L1106 HydrophobicContact CG2-CG 3.64Å; R1102-L1106 PolarHBondContact O-N 3.29Å; K1103-L1106 PolarHBondContact O-N 3.05Å; L1106-N1110 CarbonylContact O-C 3.55Å; L1106-N1110 WeakPolarHBondContact O-CA 3.33Å; L1106-N1110 PolarHBondContact O-N 3.35Å; L1106-Q1111 HydrophobicContact CD2-CB 3.88Å; L1106-Q1111 PolarHBondContact O-N 2.8Å; L1106-V1112 HydrophobicContact CB-CG2 4.14Å; L1106-V1115 HydrophobicContact CD1-CB 4.11Å; L1106-V1115 HydrophobicContact CD1-CG1 4.27Å; L1106-V1115 HydrophobicContact CD1-CG2 3.78Å; L1106-V1115 HydrophobicContact CD2-CG2 3.53Å; L1106-V1115 HydrophobicContact CG-CG2 4.3Å; L1106-L1143 HydrophobicContact CD1-CD1 3.82Å
1107	Q	79.3	Confident	84.8	Confident	86 Å²	86	55.1 Å²	55.1	40%	0.402	27%	0.265	S	S	.	.	H	α-helix	trans	-66.9	-39.2	177.3	-72.6	174.9	-14.5	0	0	112.3	K1103 Q1104 H1105 V1112	K1103-Q1107 WeakPolarHBondContact O-CG 3.45Å; K1103-Q1107 PolarHBondContact O-N 3.04Å; K1103-Q1107 VanDerWaalsContact O-N 3.09Å; Q1104-Q1107 PolarHBondContact O-N 3.14Å; H1105-Q1107 PolarHBondContact O-N 3.44Å; Q1107-V1112 HydrophobicContact CG-CG2 4.29Å
1108	L	78	Confident	84.4	Confident	112 Å²	112	54.8 Å²	54.8	59%	0.586	26%	0.263	S	S	*	.	H	α-helix	trans	-70.3	-35.5	178.1	-73.1	169.3	0	0	0	112.7	Q1104 H1105	Q1104-L1108 WeakPolarHBondContact O-CB 3.1Å; Q1104-L1108 VanDerWaalsContact O-CG 3.23Å; Q1104-L1108 WeakPolarHBondContact O-CG 3.29Å; Q1104-L1108 PolarHBondContact O-N 3.49Å; H1105-L1108 PolarHBondContact O-N 2.8Å
1109	R	76.5	Confident	84	Confident	68 Å²	68	59 Å²	59	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-90	-2.5	177.7	-66.1	-177.8	176.6	169.4	-0.1	114.6	A1080 H1105 Q1111	A1080-R1109 PolarHBondContact O-NH1 3.27Å; H1105-R1109 WeakPolarHBondContact O-CB 3.33Å; H1105-R1109 WeakPolarHBondContact O-CG 3.32Å; H1105-R1109 PolarHBondContact O-N 2.89Å; R1109-Q1111 VanDerWaalsContact C-N 3.29Å; R1109-Q1111 HydrophobicContact CB-CB 4.49Å; R1109-Q1111 HydrophobicContact CB-CG 3.79Å; R1109-Q1111 PolarHBondContact O-N 3.26Å
1110	N	77.6	Confident	83.6	Confident	113 Å²	113	61.1 Å²	61.1	60%	0.604	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	35.6	-173.8	-164.6	76.8	0	0	0	113.8	L1106	L1106-N1110 CarbonylContact O-C 3.55Å; L1106-N1110 WeakPolarHBondContact O-CA 3.33Å; L1106-N1110 PolarHBondContact O-N 3.35Å
1111	Q	79.9	Confident	83.2	Confident	14 Å²	14	59.5 Å²	59.5	7%	0.065	28%	0.284	C	S	.	.			trans	-98.7	19.7	-177.2	-66.2	177	-38.5	0	0	113	L1106 R1109 Q1114 V1115	L1106-Q1111 HydrophobicContact CD2-CB 3.88Å; L1106-Q1111 PolarHBondContact O-N 2.8Å; R1109-Q1111 VanDerWaalsContact C-N 3.29Å; R1109-Q1111 HydrophobicContact CB-CB 4.49Å; R1109-Q1111 HydrophobicContact CB-CG 3.79Å; R1109-Q1111 PolarHBondContact O-N 3.26Å; Q1111-Q1114 HydrophobicContact CB-CB 4.39Å; Q1111-Q1114 WeakPolarHBondContact O-CB 2.91Å; Q1111-Q1114 PolarHBondContact O-N 3.09Å; Q1111-V1115 PolarHBondContact O-N 2.99Å
1112	V	82.9	Confident	83	Confident	57 Å²	57	59.6 Å²	59.6	35%	0.345	28%	0.284	S	S	.	.	H	α-helix	trans	-68.4	-45.5	-176.4	177.9	0	0	0	0	111.8	L1106 Q1107 Q1114 V1115 F1116	L1106-V1112 HydrophobicContact CB-CG2 4.14Å; Q1107-V1112 HydrophobicContact CG-CG2 4.29Å; V1112-Q1114 PolarHBondContact O-N 3.02Å; V1112-V1115 PolarHBondContact O-N 3.37Å; V1112-F1116 HydrophobicContact CG1-CD2 4.1Å; V1112-F1116 HydrophobicContact CG1-CE2 3.73Å; V1112-F1116 WeakPolarHBondContact O-CD2 3.12Å; V1112-F1116 PolarHBondContact O-N 3.18Å
1113	E	79.1	Confident	82.8	Confident	138 Å²	138	59.2 Å²	59.2	65%	0.645	29%	0.294	S	S	*	.	H	α-helix	trans	-66	-29.1	177.5	-62.5	-179.1	162.2	0	0	111.8	A1117 R2001	E1113-A1117 PolarHBondContact O-N 3.48Å; E1113-A1117 VanDerWaalsContact O-N 3.1Å; E1113-R2001 IonicContact OE1-NH1 2.9Å
1114	Q	79.7	Confident	82.3	Confident	37 Å²	37	61.2 Å²	61.2	17%	0.173	30%	0.303	C	S	.	.	H	α-helix	trans	-66.6	-46.4	177.9	-175.1	-180	-6	0	0	111.8	Y1081 Q1111 V1112 F1116 A1117 E1118 G1214	Y1081-Q1114 PolarHBondContact OH-NE2 3.27Å; Q1111-Q1114 HydrophobicContact CB-CB 4.39Å; Q1111-Q1114 WeakPolarHBondContact O-CB 2.91Å; Q1111-Q1114 PolarHBondContact O-N 3.09Å; V1112-Q1114 PolarHBondContact O-N 3.02Å; Q1114-F1116 VanDerWaalsContact C-N 3.33Å; Q1114-F1116 PolarHBondContact O-N 3.1Å; Q1114-A1117 PolarHBondContact O-N 3.43Å; Q1114-E1118 PolarHBondContact O-N 2.94Å; Q1114-G1214 VanDerWaalsContact CD-O 3.3Å; Q1114-G1214 WeakPolarHBondContact CG-O 3.39Å; Q1114-G1214 PolarHBondContact NE2-O 2.93Å
1115	V	83.9	Confident	82.1	Confident	8 Å²	8	55.4 Å²	55.4	5%	0.048	28%	0.277	C	S	.	.	H	α-helix	trans	-71.6	-26.1	178.7	173.8	0	0	0	0	112.9	I1101 L1106 Q1111 V1112 R1119 L1143 M1145	I1101-V1115 HydrophobicContact CD1-CG1 4.26Å; I1101-V1115 HydrophobicContact CD1-CG2 4.31Å; L1106-V1115 HydrophobicContact CD1-CB 4.11Å; L1106-V1115 HydrophobicContact CD1-CG1 4.27Å; L1106-V1115 HydrophobicContact CD1-CG2 3.78Å; L1106-V1115 HydrophobicContact CD2-CG2 3.53Å; L1106-V1115 HydrophobicContact CG-CG2 4.3Å; Q1111-V1115 PolarHBondContact O-N 2.99Å; V1112-V1115 PolarHBondContact O-N 3.37Å; V1115-R1119 WeakPolarHBondContact O-CB 3.49Å; V1115-R1119 PolarHBondContact O-N 3.13Å; V1115-R1119 VanDerWaalsContact O-N 3.11Å; V1115-L1143 HydrophobicContact CG1-CD1 3.85Å; V1115-M1145 HydrophobicContact CG1-CE 3.83Å
1116	F	84.6	Confident	82.3	Confident	101 Å²	101	55 Å²	55	44%	0.443	28%	0.278	S	S	.	.	H	α-helix	trans	-67.6	-46.5	167.8	-76.4	-60.6	0	0	0	111.4	V1112 Q1114 E1118 R1119 D1120	V1112-F1116 HydrophobicContact CG1-CD2 4.1Å; V1112-F1116 HydrophobicContact CG1-CE2 3.73Å; V1112-F1116 WeakPolarHBondContact O-CD2 3.12Å; V1112-F1116 PolarHBondContact O-N 3.18Å; Q1114-F1116 VanDerWaalsContact C-N 3.33Å; Q1114-F1116 PolarHBondContact O-N 3.1Å; F1116-E1118 VanDerWaalsContact C-N 3.33Å; F1116-E1118 PolarHBondContact O-N 2.89Å; F1116-R1119 PolarHBondContact O-N 3.29Å; F1116-D1120 WeakPolarHBondContact O-CB 3.28Å; F1116-D1120 PolarHBondContact O-N 3.44Å
1117	A	81.5	Confident	82.7	Confident	30 Å²	30	56 Å²	56	25%	0.248	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-39.9	176.4	0	0	0	0	0	112.7	E1113 Q1114 D1120 I1121	E1113-A1117 PolarHBondContact O-N 3.48Å; E1113-A1117 VanDerWaalsContact O-N 3.1Å; Q1114-A1117 PolarHBondContact O-N 3.43Å; A1117-D1120 PolarHBondContact O-N 2.81Å; A1117-I1121 WeakPolarHBondContact O-CB 3.4Å; A1117-I1121 VanDerWaalsContact O-CG1 3.27Å; A1117-I1121 WeakPolarHBondContact O-CG1 3.15Å; A1117-I1121 PolarHBondContact O-N 3.02Å
1118	E	85.8	Confident	83.3	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.009	28%	0.283	C	S	.	.	H	α-helix	trans	-58.5	-53.9	173.6	179.6	-178.9	-174	0	0	112	K1099 Q1114 F1116 D1120 I1121 M1122 M1145 F1213	K1099-E1118 IonicContact NZ-OE1 2.84Å; K1099-E1118 PolarHBondContact NZ-OE1 3.33Å; Q1114-E1118 PolarHBondContact O-N 2.94Å; F1116-E1118 VanDerWaalsContact C-N 3.33Å; F1116-E1118 PolarHBondContact O-N 2.89Å; E1118-D1120 VanDerWaalsContact C-N 3.28Å; E1118-D1120 PolarHBondContact O-N 2.86Å; E1118-I1121 PolarHBondContact O-N 3.4Å; E1118-M1122 HydrophobicContact CG-SD 4.27Å; E1118-M1122 WeakPolarHBondContact O-CG 3.34Å; E1118-M1122 PolarHBondContact O-N 2.85Å; E1118-M1145 HydrophobicContact CB-CE 4.26Å; E1118-M1145 HydrophobicContact CG-CE 3.89Å; E1118-F1213 HydrophobicContact CG-CB 4.29Å
1119	R	87.6	Confident	84.1	Confident	90 Å²	90	50 Å²	50	34%	0.34	26%	0.257	S	S	.	.	H	α-helix	trans	-53.9	-48.8	175.2	176.6	-161.8	70.3	177.1	-1.4	110.7	V1115 F1116 M1122 S1123 T1136 M1145	V1115-R1119 WeakPolarHBondContact O-CB 3.49Å; V1115-R1119 PolarHBondContact O-N 3.13Å; V1115-R1119 VanDerWaalsContact O-N 3.11Å; F1116-R1119 PolarHBondContact O-N 3.29Å; R1119-M1122 PolarHBondContact O-N 3.43Å; R1119-S1123 VanDerWaalsContact O-CB 3.29Å; R1119-S1123 WeakPolarHBondContact O-CB 3.37Å; R1119-S1123 PolarHBondContact O-N 2.8Å; R1119-S1123 PolarHBondContact O-OG 3.21Å; R1119-T1136 HydrophobicContact CG-CG2 4.03Å; R1119-M1145 HydrophobicContact CB-CE 4.02Å
1120	D	85.1	Confident	85	Confident	58 Å²	58	46.7 Å²	46.7	31%	0.31	25%	0.245	S	C	.	.	H	α-helix	trans	-65.6	-47.3	-172.2	-66.8	-10.8	0	0	0	110.3	F1116 A1117 E1118 M1122 S1123 F1124	F1116-D1120 WeakPolarHBondContact O-CB 3.28Å; F1116-D1120 PolarHBondContact O-N 3.44Å; A1117-D1120 PolarHBondContact O-N 2.81Å; E1118-D1120 VanDerWaalsContact C-N 3.28Å; E1118-D1120 PolarHBondContact O-N 2.86Å; D1120-M1122 PolarHBondContact O-N 2.73Å; D1120-S1123 PolarHBondContact O-N 3.08Å; D1120-S1123 PolarHBondContact O-OG 2.95Å; D1120-F1124 WeakPolarHBondContact O-CD1 3.39Å; D1120-F1124 WeakPolarHBondContact O-CE1 3.25Å
1121	I	84.9	Confident	85.8	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-55.9	-51.3	173.4	-71.6	167.2	0	0	0	111.5	A1117 E1118 S1123 F1124 A1125 I1190 F1213 I1218	A1117-I1121 WeakPolarHBondContact O-CB 3.4Å; A1117-I1121 VanDerWaalsContact O-CG1 3.27Å; A1117-I1121 WeakPolarHBondContact O-CG1 3.15Å; A1117-I1121 PolarHBondContact O-N 3.02Å; E1118-I1121 PolarHBondContact O-N 3.4Å; I1121-S1123 PolarHBondContact O-N 2.71Å; I1121-F1124 PolarHBondContact O-N 3.49Å; I1121-A1125 PolarHBondContact O-N 2.86Å; I1121-I1190 HydrophobicContact CD1-CG2 4.11Å; I1121-I1190 HydrophobicContact CG1-CD1 4.36Å; I1121-I1190 HydrophobicContact CG1-CG1 4.39Å; I1121-I1190 HydrophobicContact CG2-CD1 3.9Å; I1121-F1213 HydrophobicContact CG2-CB 4.24Å; I1121-F1213 HydrophobicContact CG2-CD1 3.62Å; I1121-F1213 HydrophobicContact CG2-CE1 4.27Å; I1121-F1213 HydrophobicContact CG2-CG 3.98Å; I1121-I1218 HydrophobicContact CD1-CG1 3.98Å; I1121-I1218 HydrophobicContact CG1-CD1 3.98Å; I1121-I1218 HydrophobicContact CG1-CG1 3.7Å
1122	M	87.4	Confident	86.4	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-70.6	-19.1	-176.9	-63	-175.3	72	0	0	113.4	E1118 R1119 D1120 F1124 V1131 L1133 M1147 F1213	E1118-M1122 HydrophobicContact CG-SD 4.27Å; E1118-M1122 WeakPolarHBondContact O-CG 3.34Å; E1118-M1122 PolarHBondContact O-N 2.85Å; R1119-M1122 PolarHBondContact O-N 3.43Å; D1120-M1122 PolarHBondContact O-N 2.73Å; M1122-F1124 VanDerWaalsContact C-N 3.31Å; M1122-F1124 PolarHBondContact O-N 2.75Å; M1122-V1131 HydrophobicContact CE-CG1 4.16Å; M1122-V1131 WeakPolarHBondContact CE-O 3.2Å; M1122-L1133 HydrophobicContact CB-CB 3.96Å; M1122-L1133 HydrophobicContact CB-CD2 4.31Å; M1122-L1133 WeakPolarHBondContact O-CB 3.18Å; M1122-M1147 HydrophobicContact CE-CG 4.1Å; M1122-M1147 HydrophobicContact CE-SD 3.85Å; M1122-M1147 HydrophobicContact SD-SD 4.49Å; M1122-F1213 HydrophobicContact CE-CD2 4.3Å; M1122-F1213 HydrophobicContact CG-CB 3.94Å; M1122-F1213 HydrophobicContact CG-CD2 3.55Å; M1122-F1213 HydrophobicContact CG-CE2 4.43Å; M1122-F1213 HydrophobicContact CG-CG 3.94Å; M1122-F1213 HydrophobicContact SD-CB 4.33Å; M1122-F1213 HydrophobicContact SD-CD2 3.92Å
1123	S	84.7	Confident	86.9	Confident	72 Å²	72	39 Å²	39	50%	0.503	20%	0.203	S	C	.	.	H	α-helix	trans	-75.2	-14.6	-180	72.6	0	0	0	0	114.9	R1119 D1120 I1121	R1119-S1123 VanDerWaalsContact O-CB 3.29Å; R1119-S1123 WeakPolarHBondContact O-CB 3.37Å; R1119-S1123 PolarHBondContact O-N 2.8Å; R1119-S1123 PolarHBondContact O-OG 3.21Å; D1120-S1123 PolarHBondContact O-N 3.08Å; D1120-S1123 PolarHBondContact O-OG 2.95Å; I1121-S1123 PolarHBondContact O-N 2.71Å
1124	F	79.4	Confident	87.4	Confident	84 Å²	84	33.8 Å²	33.8	37%	0.368	18%	0.181	S	C	.	.	S	Bend	trans	-121.1	10	172.8	64.1	-99.1	0	0	0	113.1	D1120 I1121 M1122 D1126 Y1184 Y1188 I1190 I1218	D1120-F1124 WeakPolarHBondContact O-CD1 3.39Å; D1120-F1124 WeakPolarHBondContact O-CE1 3.25Å; I1121-F1124 PolarHBondContact O-N 3.49Å; M1122-F1124 VanDerWaalsContact C-N 3.31Å; M1122-F1124 PolarHBondContact O-N 2.75Å; F1124-D1126 PolarHBondContact O-N 3.31Å; F1124-Y1184 PolarHBondContact O-OH 3.31Å; F1124-Y1188 HydrophobicContact CE2-CD1 4.23Å; F1124-Y1188 HydrophobicContact CE2-CG 4.27Å; F1124-I1190 HydrophobicContact CE2-CD1 3.88Å; F1124-I1190 HydrophobicContact CZ-CD1 3.99Å; F1124-I1218 HydrophobicContact CE1-CD1 4.48Å; F1124-I1218 HydrophobicContact CZ-CD1 4.46Å
1125	A	82	Confident	88	Confident	9 Å²	9	33.4 Å²	33.4	7%	0.074	18%	0.182	C	C	.	.			trans	-79.7	95.4	178.1	0	0	0	0	0	111.2	I1121 V1130	I1121-A1125 PolarHBondContact O-N 2.86Å; A1125-V1130 HydrophobicContact CB-CG1 3.95Å
1126	D	85.3	Confident	88.4	Confident	67 Å²	67	36 Å²	36	36%	0.358	20%	0.198	S	C	.	.			trans	-114	91.5	171	-169.5	27.8	0	0	0	109.2	F1124 Y1184	F1124-D1126 PolarHBondContact O-N 3.31Å; D1126-Y1184 PolarHBondContact N-OH 2.67Å; D1126-Y1184 VanDerWaalsContact O-CE2 3.3Å; D1126-Y1184 WeakPolarHBondContact O-CE2 3.39Å; D1126-Y1184 PolarHBondContact O-OH 2.82Å
1127	N	91	Very high	88.9	Confident	26 Å²	26	32.1 Å²	32.1	14%	0.139	18%	0.181	C	C	.	.			trans	-153.5	138.1	179.8	-176.1	-82.4	0	0	0	110.1	F1129 V1130 Y1184	N1127-F1129 PolarHBondContact O-N 3.48Å; N1127-F1129 PolarHBondContact OD1-N 2.96Å; N1127-V1130 HydrophobicContact CB-CB 4.11Å; N1127-V1130 HydrophobicContact CB-CG2 4.01Å; N1127-V1130 PolarHBondContact O-N 3.01Å; N1127-Y1184 HydrophobicContact CB-CD1 3.95Å; N1127-Y1184 HydrophobicContact CB-CD2 3.84Å; N1127-Y1184 HydrophobicContact CB-CE1 4.01Å; N1127-Y1184 HydrophobicContact CB-CE2 3.87Å; N1127-Y1184 HydrophobicContact CB-CG 3.88Å; N1127-Y1184 WeakPolarHBondContact ND2-CB 3.45Å; N1127-Y1184 VanDerWaalsContact ND2-CD2 3.3Å; N1127-Y1184 WeakPolarHBondContact ND2-CD2 3.37Å
1128	P	92.3	Very high	89.4	Confident	61 Å²	61	36.7 Å²	36.7	40%	0.396	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.8	-177.4	24.8	-34.8	0	0	0	114.3	K1209 L1360	P1128-K1209 WeakPolarHBondContact O-CE 3.37Å; P1128-L1360 HydrophobicContact CB-CD1 4.3Å; P1128-L1360 HydrophobicContact CB-CD2 3.7Å; P1128-L1360 HydrophobicContact CG-CD2 4.17Å
1129	F	95.5	Very high	89.7	Confident	10 Å²	10	38 Å²	38	4%	0.044	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	17.6	-179.2	-50.8	-69.9	0	0	0	113	N1127 E1177 L1180 A1181 I1208 K1209 L1210 L1360	N1127-F1129 PolarHBondContact O-N 3.48Å; N1127-F1129 PolarHBondContact OD1-N 2.96Å; F1129-E1177 HydrophobicContact CD1-CB 3.83Å; F1129-E1177 HydrophobicContact CD1-CG 4.06Å; F1129-E1177 HydrophobicContact CE1-CB 3.94Å; F1129-E1177 HydrophobicContact CE1-CG 3.65Å; F1129-E1177 HydrophobicContact CG-CB 4.47Å; F1129-E1177 HydrophobicContact CZ-CG 4.3Å; F1129-L1180 HydrophobicContact CD2-CB 3.82Å; F1129-L1180 HydrophobicContact CD2-CD1 4.36Å; F1129-L1180 HydrophobicContact CE2-CB 3.94Å; F1129-L1180 HydrophobicContact CE2-CD1 3.61Å; F1129-L1180 HydrophobicContact CE2-CG 4.43Å; F1129-L1180 HydrophobicContact CZ-CD1 4.16Å; F1129-A1181 HydrophobicContact CB-CB 3.9Å; F1129-I1208 WeakPolarHBondContact CA-O 3.24Å; F1129-I1208 WeakPolarHBondContact CD1-O 3.4Å; F1129-K1209 WeakPolarHBondContact O-CA 3.47Å; F1129-L1210 PolarHBondContact O-N 3.03Å; F1129-L1360 HydrophobicContact CE1-CD1 3.92Å; F1129-L1360 HydrophobicContact CZ-CB 4.2Å; F1129-L1360 HydrophobicContact CZ-CD1 4.15Å
1130	V	95.2	Very high	89.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-131.1	140.7	179	176.3	0	0	0	0	110.4	A1125 N1127 S1132 A1181 F1213	A1125-V1130 HydrophobicContact CB-CG1 3.95Å; N1127-V1130 HydrophobicContact CB-CB 4.11Å; N1127-V1130 HydrophobicContact CB-CG2 4.01Å; N1127-V1130 PolarHBondContact O-N 3.01Å; V1130-S1132 PolarHBondContact O-N 3.04Å; V1130-A1181 HydrophobicContact CG2-CB 4.27Å; V1130-F1213 HydrophobicContact CG1-CE2 3.64Å; V1130-F1213 HydrophobicContact CG1-CZ 3.51Å
1131	V	94.5	Very high	90	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-70.4	116.4	177.2	173	0	0	0	0	111.6	M1122 M1147 E1148 V1150 L1201 K1209 L1210	M1122-V1131 HydrophobicContact CE-CG1 4.16Å; M1122-V1131 WeakPolarHBondContact CE-O 3.2Å; V1131-M1147 HydrophobicContact CG1-CB 4.03Å; V1131-E1148 WeakPolarHBondContact CA-OE1 3.24Å; V1131-E1148 HydrophobicContact CG1-CG 3.95Å; V1131-V1150 HydrophobicContact CG2-CG2 4.27Å; V1131-L1201 HydrophobicContact CG2-CD1 4.23Å; V1131-K1209 HydrophobicContact CG2-CB 3.85Å; V1131-L1210 PolarHBondContact N-O 2.81Å
1132	S	91.8	Very high	90.4	Very high	10 Å²	10	44.5 Å²	44.5	7%	0.07	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-65.4	133.4	173.8	-75.8	0	0	0	0	113.1	V1130 M1147 E1148 R1612	V1130-S1132 PolarHBondContact O-N 3.04Å; S1132-M1147 VanDerWaalsContact O-CA 3.32Å; S1132-M1147 WeakPolarHBondContact O-CA 3.5Å; S1132-E1148 WeakPolarHBondContact CB-OE1 3.2Å; S1132-E1148 PolarHBondContact N-OE1 3.25Å; S1132-E1148 PolarHBondContact O-N 3.08Å; S1132-R1612 PolarHBondContact OG-NH1 2.9Å
1133	L	93.3	Very high	90.6	Very high	11 Å²	11	46.5 Å²	46.5	6%	0.058	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	149.7	155.1	-166.9	63.6	0	0	0	109.7	M1122 T1136 M1145 M1147 R1612	M1122-L1133 HydrophobicContact CB-CB 3.96Å; M1122-L1133 HydrophobicContact CB-CD2 4.31Å; M1122-L1133 WeakPolarHBondContact O-CB 3.18Å; L1133-T1136 HydrophobicContact CD1-CG2 4.07Å; L1133-T1136 HydrophobicContact CD2-CG2 4.09Å; L1133-M1145 HydrophobicContact CD1-CB 4.05Å; L1133-M1145 HydrophobicContact CD1-CG 4.4Å; L1133-M1147 HydrophobicContact CD1-CG 4.2Å; L1133-R1612 PolarHBondContact O-NH2 2.93Å
1134	C	91	Very high	91.1	Very high	27 Å²	27	43.1 Å²	43.1	18%	0.182	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	-34.9	177.8	-62.9	0	0	0	0	112.6	F1096 V1146	F1096-C1134 HydrophobicContact CD1-CB 4.21Å; F1096-C1134 HydrophobicContact CE1-CB 4.06Å; C1134-V1146 WeakPolarHBondContact CA-O 3.31Å; C1134-V1146 HydrophobicContact CB-CG1 4.3Å; C1134-V1146 WeakPolarHBondContact CB-O 3.3Å; C1134-V1146 PolarHBondContact N-O 2.79Å
1135	C	91.3	Very high	91.8	Very high	30 Å²	30	39.5 Å²	39.5	20%	0.203	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	170.4	161	61.7	0	0	0	0	111.4	P1065 V1146	P1065-C1135 HydrophobicContact CG-CB 4.1Å; C1135-V1146 PolarHBondContact N-O 2.81Å; C1135-V1146 VanDerWaalsContact N-O 3.16Å; C1135-V1146 PolarHBondContact O-N 3.19Å
1136	T	93.3	Very high	92.4	Very high	61 Å²	61	39.1 Å²	39.1	37%	0.374	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.2	164.9	60.8	0	0	0	0	111.4	R1119 L1133 C1144 M1145	R1119-T1136 HydrophobicContact CG-CG2 4.03Å; L1133-T1136 HydrophobicContact CD1-CG2 4.07Å; L1133-T1136 HydrophobicContact CD2-CG2 4.09Å; T1136-C1144 CarbonylContact C-O 3.43Å; T1136-C1144 VanDerWaalsContact CA-O 3.28Å; T1136-C1144 WeakPolarHBondContact CA-O 3.31Å; T1136-M1145 HydrophobicContact CG2-CB 4.37Å; T1136-M1145 HydrophobicContact CG2-CG 3.79Å
1137	F	93.6	Very high	92.8	Very high	21 Å²	21	36.3 Å²	36.3	9%	0.092	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	177.7	168.7	62.2	-96.7	0	0	0	110.5	P1065 E1067 F1070 L1098 T1139 C1144 V1146	P1065-F1137 HydrophobicContact CB-CD1 4.42Å; P1065-F1137 WeakPolarHBondContact O-CB 3.35Å; E1067-F1137 HydrophobicContact CB-CE2 3.87Å; E1067-F1137 HydrophobicContact CB-CZ 4.27Å; E1067-F1137 VanDerWaalsContact N-CE2 3.34Å; F1070-F1137 HydrophobicContact CD2-CE1 4.23Å; F1070-F1137 HydrophobicContact CD2-CZ 4.43Å; F1070-F1137 AromaticContact CE2-CE1 3.74Å; F1070-F1137 HydrophobicContact CE2-CE1 3.74Å; F1070-F1137 HydrophobicContact CE2-CZ 4.38Å; L1098-F1137 HydrophobicContact CD1-CE1 4.15Å; L1098-F1137 HydrophobicContact CD1-CZ 3.89Å; L1098-F1137 HydrophobicContact CD2-CZ 4.43Å; F1137-T1139 HydrophobicContact CE2-CG2 4.28Å; F1137-C1144 HydrophobicContact CD1-CB 4.24Å; F1137-C1144 HydrophobicContact CD2-CB 3.56Å; F1137-C1144 HydrophobicContact CE1-CB 4.06Å; F1137-C1144 HydrophobicContact CE2-CB 3.33Å; F1137-C1144 VanDerWaalsContact CE2-SG 3.58Å; F1137-C1144 HydrophobicContact CG-CB 4.01Å; F1137-C1144 HydrophobicContact CZ-CB 3.61Å; F1137-C1144 PolarHBondContact N-O 3.5Å; F1137-C1144 WeakPolarHBondContact O-CA 3.46Å; F1137-C1144 WeakPolarHBondContact O-CB 3.27Å; F1137-C1144 PolarHBondContact O-N 2.95Å; F1137-C1144 VanDerWaalsContact O-O 3.07Å; F1137-V1146 HydrophobicContact CD1-CG2 4.19Å; F1137-V1146 HydrophobicContact CE1-CG2 3.64Å
1138	E	92.4	Very high	93	Very high	126 Å²	126	37 Å²	37	59%	0.589	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.9	174.7	61.8	152.3	-113.3	0	0	113.1	K1103 L1143	K1103-E1138 WeakPolarHBondContact CE-OE2 3.33Å; K1103-E1138 IonicContact NZ-OE1 2.76Å; K1103-E1138 PolarHBondContact NZ-OE1 3.3Å; K1103-E1138 IonicContact NZ-OE2 3.17Å; K1103-E1138 PolarHBondContact NZ-OE2 3.05Å; E1138-L1143 HydrophobicContact CB-CD2 3.82Å
1139	T	91.5	Very high	93.1	Very high	29 Å²	29	35 Å²	35	18%	0.178	18%	0.175	C	C	.	.			trans	-115.2	176.8	174.6	86.1	0	0	0	0	109.3	E1067 K1103 F1137 K1141 C1142	E1067-T1139 HydrophobicContact CB-CG2 4.44Å; E1067-T1139 WeakPolarHBondContact OE2-CG2 3.46Å; K1103-T1139 PolarHBondContact NZ-O 3Å; F1137-T1139 HydrophobicContact CE2-CG2 4.28Å; T1139-K1141 PolarHBondContact O-N 2.89Å; T1139-K1141 VanDerWaalsContact O-N 3.15Å; T1139-K1141 PolarHBondContact OG1-N 2.83Å; T1139-C1142 PolarHBondContact N-O 3.46Å; T1139-C1142 PolarHBondContact OG1-N 3.32Å
1140	K	89.9	Confident	93.1	Very high	189 Å²	189	34.6 Å²	34.6	82%	0.822	17%	0.174	S	C	*	.	S	Bend	trans	-55.4	-30.8	174.5	-64.6	176.8	-176.4	170.2	0	112.8
1141	K	90.5	Very high	93	Very high	78 Å²	78	36.1 Å²	36.1	34%	0.339	18%	0.181	S	C	.	.	S	Bend	trans	-118.7	-21.6	-170.8	-59.4	-179.5	-172.8	177.5	0	113.6	K1103 T1139 D1393 D1395	K1103-K1141 WeakPolarHBondContact CB-O 3.09Å; K1103-K1141 PolarHBondContact N-O 3.35Å; T1139-K1141 PolarHBondContact O-N 2.89Å; T1139-K1141 VanDerWaalsContact O-N 3.15Å; T1139-K1141 PolarHBondContact OG1-N 2.83Å; K1141-D1393 VanDerWaalsContact CD-OD1 3.23Å; K1141-D1393 WeakPolarHBondContact CD-OD1 3.28Å; K1141-D1393 WeakPolarHBondContact CE-OD1 3.13Å; K1141-D1393 IonicContact NZ-OD1 3.67Å; K1141-D1393 PolarHBondContact NZ-OD1 2.87Å; K1141-D1395 WeakPolarHBondContact CE-OD2 3.39Å; K1141-D1395 IonicContact NZ-OD2 2.71Å; K1141-D1395 PolarHBondContact NZ-OD2 3.26Å
1142	C	92.7	Very high	92.8	Very high	19 Å²	19	36.1 Å²	36.1	13%	0.128	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	156	-173.4	-61.5	0	0	0	0	113.6	I1101 K1103 T1139	I1101-C1142 CarbonylContact O-C 3.14Å; I1101-C1142 WeakPolarHBondContact O-CA 3.29Å; K1103-C1142 WeakPolarHBondContact CE-O 3.26Å; T1139-C1142 PolarHBondContact N-O 3.46Å; T1139-C1142 PolarHBondContact OG1-N 3.32Å
1143	L	91.8	Very high	92.9	Very high	45 Å²	45	35.7 Å²	35.7	24%	0.236	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	147.7	152.7	-62.5	177.5	0	0	0	108.2	I1101 K1103 L1106 V1115 E1138	I1101-L1143 PolarHBondContact N-O 3.39Å; I1101-L1143 PolarHBondContact O-N 2.93Å; K1103-L1143 HydrophobicContact CG-CD2 4.41Å; K1103-L1143 HydrophobicContact CG-CG 4.08Å; L1106-L1143 HydrophobicContact CD1-CD1 3.82Å; V1115-L1143 HydrophobicContact CG1-CD1 3.85Å; E1138-L1143 HydrophobicContact CB-CD2 3.82Å
1144	C	94.4	Very high	92.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	120.7	-174.4	-74.4	0	0	0	0	110.5	L1098 K1099 T1136 F1137	L1098-C1144 HydrophobicContact CD1-CB 3.84Å; K1099-C1144 WeakPolarHBondContact O-CA 3.44Å; T1136-C1144 CarbonylContact C-O 3.43Å; T1136-C1144 VanDerWaalsContact CA-O 3.28Å; T1136-C1144 WeakPolarHBondContact CA-O 3.31Å; F1137-C1144 HydrophobicContact CD1-CB 4.24Å; F1137-C1144 HydrophobicContact CD2-CB 3.56Å; F1137-C1144 HydrophobicContact CE1-CB 4.06Å; F1137-C1144 HydrophobicContact CE2-CB 3.33Å; F1137-C1144 VanDerWaalsContact CE2-SG 3.58Å; F1137-C1144 HydrophobicContact CG-CB 4.01Å; F1137-C1144 HydrophobicContact CZ-CB 3.61Å; F1137-C1144 PolarHBondContact N-O 3.5Å; F1137-C1144 WeakPolarHBondContact O-CA 3.46Å; F1137-C1144 WeakPolarHBondContact O-CB 3.27Å; F1137-C1144 PolarHBondContact O-N 2.95Å; F1137-C1144 VanDerWaalsContact O-O 3.07Å
1145	M	93.8	Very high	93	Very high	7 Å²	7	35 Å²	35	3%	0.034	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.3	171.8	-66	148	160.6	0	0	108.7	L1098 K1099 I1101 V1115 E1118 R1119 L1133 T1136 M1147	L1098-M1145 CarbonylContact C-O 3.53Å; L1098-M1145 WeakPolarHBondContact CA-O 3.29Å; K1099-M1145 HydrophobicContact CB-CB 4.3Å; K1099-M1145 HydrophobicContact CD-SD 4.27Å; K1099-M1145 PolarHBondContact N-O 2.71Å; K1099-M1145 PolarHBondContact O-N 3.13Å; I1101-M1145 HydrophobicContact CD1-SD 3.93Å; V1115-M1145 HydrophobicContact CG1-CE 3.83Å; E1118-M1145 HydrophobicContact CB-CE 4.26Å; E1118-M1145 HydrophobicContact CG-CE 3.89Å; R1119-M1145 HydrophobicContact CB-CE 4.02Å; L1133-M1145 HydrophobicContact CD1-CB 4.05Å; L1133-M1145 HydrophobicContact CD1-CG 4.4Å; T1136-M1145 HydrophobicContact CG2-CB 4.37Å; T1136-M1145 HydrophobicContact CG2-CG 3.79Å; M1145-M1147 HydrophobicContact CB-CG 4.32Å
1146	V	95.1	Very high	93.1	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	113.8	170.5	-176.5	0	0	0	0	106.7	F1070 F1096 L1098 C1134 C1135 F1137	F1070-V1146 HydrophobicContact CE1-CG1 4.11Å; F1070-V1146 HydrophobicContact CE1-CG2 4.32Å; F1070-V1146 HydrophobicContact CE2-CG2 4.18Å; F1070-V1146 HydrophobicContact CZ-CG1 4.21Å; F1070-V1146 HydrophobicContact CZ-CG2 3.79Å; F1096-V1146 HydrophobicContact CB-CG1 3.6Å; F1096-V1146 HydrophobicContact CD1-CG1 3.77Å; F1096-V1146 HydrophobicContact CD2-CG1 4.38Å; F1096-V1146 HydrophobicContact CG-CG1 3.65Å; L1098-V1146 HydrophobicContact CD1-CG2 4.01Å; C1134-V1146 WeakPolarHBondContact CA-O 3.31Å; C1134-V1146 HydrophobicContact CB-CG1 4.3Å; C1134-V1146 WeakPolarHBondContact CB-O 3.3Å; C1134-V1146 PolarHBondContact N-O 2.79Å; C1135-V1146 PolarHBondContact N-O 2.81Å; C1135-V1146 VanDerWaalsContact N-O 3.16Å; C1135-V1146 PolarHBondContact O-N 3.19Å; F1137-V1146 HydrophobicContact CD1-CG2 4.19Å; F1137-V1146 HydrophobicContact CE1-CG2 3.64Å
1147	M	94.8	Very high	93	Very high	7 Å²	7	31.4 Å²	31.4	3%	0.034	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	166.3	-179	-46.3	168	-55.4	0	0	108.2	V1084 F1096 S1097 K1099 M1122 V1131 S1132 L1133 M1145	V1084-M1147 HydrophobicContact CG1-CE 4.16Å; F1096-M1147 WeakPolarHBondContact CA-O 3.48Å; F1096-M1147 WeakPolarHBondContact CB-O 3.38Å; S1097-M1147 PolarHBondContact N-O 2.69Å; S1097-M1147 PolarHBondContact O-N 2.84Å; K1099-M1147 HydrophobicContact CB-CE 3.84Å; K1099-M1147 HydrophobicContact CB-SD 4.33Å; K1099-M1147 HydrophobicContact CD-CE 4.33Å; K1099-M1147 HydrophobicContact CD-SD 4.26Å; M1122-M1147 HydrophobicContact CE-CG 4.1Å; M1122-M1147 HydrophobicContact CE-SD 3.85Å; M1122-M1147 HydrophobicContact SD-SD 4.49Å; V1131-M1147 HydrophobicContact CG1-CB 4.03Å; S1132-M1147 VanDerWaalsContact O-CA 3.32Å; S1132-M1147 WeakPolarHBondContact O-CA 3.5Å; L1133-M1147 HydrophobicContact CD1-CG 4.2Å; M1145-M1147 HydrophobicContact CB-CG 4.32Å
1148	E	94.1	Very high	92.8	Very high	40 Å²	40	31.3 Å²	31.3	19%	0.187	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	156	170.9	62.7	-179.8	138.3	0	0	112.3	S1097 V1131 S1132 V1150 K1209	S1097-E1148 VanDerWaalsContact CB-O 3.31Å; S1097-E1148 WeakPolarHBondContact CB-O 3.31Å; S1097-E1148 PolarHBondContact OG-O 2.85Å; V1131-E1148 WeakPolarHBondContact CA-OE1 3.24Å; V1131-E1148 HydrophobicContact CG1-CG 3.95Å; S1132-E1148 WeakPolarHBondContact CB-OE1 3.2Å; S1132-E1148 PolarHBondContact N-OE1 3.25Å; S1132-E1148 PolarHBondContact O-N 3.08Å; E1148-V1150 HydrophobicContact CG-CG2 4.22Å; E1148-K1209 IonicContact OE1-NZ 3.58Å; E1148-K1209 PolarHBondContact OE1-NZ 2.9Å; E1148-K1209 IonicContact OE2-NZ 3.61Å; E1148-K1209 PolarHBondContact OE2-NZ 3.12Å
1149	Y	94.9	Very high	92.8	Very high	19 Å²	19	26 Å²	26	8%	0.075	13%	0.126	C	C	.	.			trans	-92.1	142	169.1	-176.9	-126.2	0	0	0	109	I1076 L1086 E1151 D1375 T1376 F1379	I1076-Y1149 HydrophobicContact CD1-CD2 4.01Å; I1076-Y1149 HydrophobicContact CD1-CE2 3.8Å; L1086-Y1149 HydrophobicContact CB-CE2 4.43Å; L1086-Y1149 HydrophobicContact CD1-CD1 3.82Å; L1086-Y1149 HydrophobicContact CD1-CD2 3.8Å; L1086-Y1149 HydrophobicContact CD1-CE1 3.9Å; L1086-Y1149 HydrophobicContact CD1-CE2 3.9Å; L1086-Y1149 HydrophobicContact CD1-CG 3.78Å; L1086-Y1149 HydrophobicContact CD2-CE1 4.34Å; L1086-Y1149 HydrophobicContact CD2-CE2 4.48Å; L1086-Y1149 HydrophobicContact CG-CE2 4.49Å; Y1149-E1151 HydrophobicContact CD1-CG 3.84Å; Y1149-E1151 HydrophobicContact CE1-CB 4.16Å; Y1149-E1151 HydrophobicContact CE1-CG 3.69Å; Y1149-D1375 PolarHBondContact OH-O 3.43Å; Y1149-T1376 WeakPolarHBondContact OH-CG2 3.35Å; Y1149-F1379 HydrophobicContact CE2-CE2 4.02Å; Y1149-F1379 AromaticContact CE2-CZ 3.85Å; Y1149-F1379 HydrophobicContact CE2-CZ 3.85Å; Y1149-F1379 WeakPolarHBondContact OH-CE2 3.43Å
1150	V	94.6	Very high	92.7	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	14%	0.143	C	C	.	.			trans	-134.9	116.4	-177.8	-177.3	0	0	0	0	105.9	V1131 E1148 L1201 I1202 T1203 K1209 F1379	V1131-V1150 HydrophobicContact CG2-CG2 4.27Å; E1148-V1150 HydrophobicContact CG-CG2 4.22Å; V1150-L1201 HydrophobicContact CB-CB 4.04Å; V1150-L1201 HydrophobicContact CB-CD1 4.04Å; V1150-L1201 HydrophobicContact CG1-CB 3.59Å; V1150-L1201 HydrophobicContact CG2-CD1 4.33Å; V1150-I1202 VanDerWaalsContact CG1-C 3.5Å; V1150-I1202 WeakPolarHBondContact CG1-O 3.42Å; V1150-T1203 HydrophobicContact CG1-CG2 4.01Å; V1150-K1209 HydrophobicContact CG2-CD 4.1Å; V1150-F1379 WeakPolarHBondContact O-CZ 3.39Å
1151	E	93.1	Very high	92.5	Very high	33 Å²	33	27.9 Å²	27.9	15%	0.154	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-29.5	-149.6	-52.7	87.4	164.9	0	0	114.6	Y1149 G1153 H1204 L1370	Y1149-E1151 HydrophobicContact CD1-CG 3.84Å; Y1149-E1151 HydrophobicContact CE1-CB 4.16Å; Y1149-E1151 HydrophobicContact CE1-CG 3.69Å; E1151-G1153 PolarHBondContact O-N 2.78Å; E1151-H1204 HydrophobicContact CB-CB 4.39Å; E1151-H1204 HydrophobicContact CG-CB 4.41Å; E1151-H1204 IonicContact OE1-CE1 2.71Å; E1151-H1204 IonicContact OE1-CG 2.71Å; E1151-H1204 IonicContact OE1-ND1 2.68Å; E1151-H1204 PolarHBondContact OE1-ND1 2.94Å; E1151-H1204 WeakPolarHBondContact OE2-CB 3.3Å; E1151-H1204 IonicContact OE2-CG 2.8Å; E1151-H1204 PolarHBondContact OE2-N 3.46Å; E1151-H1204 IonicContact OE2-ND1 2.81Å; E1151-H1204 PolarHBondContact OE2-ND1 2.95Å; E1151-L1370 HydrophobicContact CB-CD1 3.59Å; E1151-L1370 HydrophobicContact CB-CD2 4.31Å; E1151-L1370 HydrophobicContact CG-CD1 4.23Å
1152	G	92	Very high	92.3	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.021	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	16	-174.2	0	0	0	0	0	115.6	I1202 Y1378	G1152-I1202 WeakPolarHBondContact CA-O 3.24Å; G1152-I1202 PolarHBondContact N-O 3.29Å; G1152-Y1378 VanDerWaalsContact C-CB 3.44Å; G1152-Y1378 WeakPolarHBondContact O-CB 3.39Å
1153	G	92.7	Very high	91.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.			trans	67.2	-155.4	179.8	0	0	0	0	0	113.5	E1151 L1201 I1202	E1151-G1153 PolarHBondContact O-N 2.78Å; G1153-L1201 CarbonylContact O-C 3.1Å; G1153-L1201 VanDerWaalsContact O-CA 3.26Å; G1153-L1201 WeakPolarHBondContact O-CA 3.31Å; G1153-I1202 PolarHBondContact O-N 2.87Å
1154	D	93.2	Very high	91.4	Very high	23 Å²	23	29.3 Å²	29.3	12%	0.123	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-108	151.1	-178.4	70.7	93	0	0	0	113.3	A1156 T1157 L1158 L1200 L1201	D1154-A1156 VanDerWaalsContact C-N 3.26Å; D1154-A1156 PolarHBondContact O-N 3.11Å; D1154-A1156 WeakPolarHBondContact OD1-CA 3.31Å; D1154-A1156 VanDerWaalsContact OD1-CB 3.27Å; D1154-A1156 WeakPolarHBondContact OD1-CB 3.34Å; D1154-A1156 PolarHBondContact OD1-N 3.47Å; D1154-A1156 VanDerWaalsContact OD1-N 3.15Å; D1154-T1157 VanDerWaalsContact CG-OG1 3.27Å; D1154-T1157 PolarHBondContact O-N 3.11Å; D1154-T1157 VanDerWaalsContact O-N 3.1Å; D1154-T1157 PolarHBondContact OD1-N 3.2Å; D1154-T1157 PolarHBondContact OD1-OG1 3.25Å; D1154-T1157 WeakPolarHBondContact OD2-CB 3.24Å; D1154-T1157 PolarHBondContact OD2-OG1 3.47Å; D1154-L1158 PolarHBondContact O-N 3.07Å; D1154-L1200 CarbonylContact C-O 3.16Å; D1154-L1200 VanDerWaalsContact CA-O 3.31Å; D1154-L1200 WeakPolarHBondContact CA-O 3.18Å; D1154-L1201 HydrophobicContact CB-CD2 3.97Å
1155	V	94.5	Very high	91.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.5	-29.2	-177.8	178.9	0	0	0	0	112.1	L1158 L1159 L1166 Y1174 P1197 L1200 I1202 I1208 F1279	V1155-L1158 WeakPolarHBondContact O-CB 3.09Å; V1155-L1158 PolarHBondContact O-N 3.34Å; V1155-L1159 WeakPolarHBondContact O-CB 3.36Å; V1155-L1159 PolarHBondContact O-N 2.83Å; V1155-L1166 HydrophobicContact CG1-CD1 4.39Å; V1155-Y1174 HydrophobicContact CG1-CD2 4.21Å; V1155-Y1174 HydrophobicContact CG1-CE2 4.32Å; V1155-Y1174 HydrophobicContact CG2-CD2 4.17Å; V1155-Y1174 HydrophobicContact CG2-CE2 4.06Å; V1155-P1197 HydrophobicContact CB-CB 4.08Å; V1155-P1197 HydrophobicContact CG1-CB 4.12Å; V1155-P1197 PolarHBondContact N-O 3.39Å; V1155-L1200 HydrophobicContact CB-CB 4.16Å; V1155-L1200 HydrophobicContact CG2-CB 3.67Å; V1155-L1200 HydrophobicContact CG2-CD1 4.43Å; V1155-L1200 PolarHBondContact N-O 3.16Å; V1155-I1202 HydrophobicContact CG2-CD1 4.06Å; V1155-I1202 HydrophobicContact CG2-CG1 3.84Å; V1155-I1208 HydrophobicContact CG2-CD1 3.49Å; V1155-I1208 VanDerWaalsContact CG2-CD1 3.49Å; V1155-F1279 HydrophobicContact CG1-CE1 3.65Å; V1155-F1279 HydrophobicContact CG1-CZ 3.87Å
1156	A	92.2	Very high	91.1	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.033	17%	0.174	C	C	.	.	H	α-helix	trans	-67.1	-39.2	174.6	0	0	0	0	0	111.3	D1154 L1158 L1159 K1160 P1197 D1198	D1154-A1156 VanDerWaalsContact C-N 3.26Å; D1154-A1156 PolarHBondContact O-N 3.11Å; D1154-A1156 WeakPolarHBondContact OD1-CA 3.31Å; D1154-A1156 VanDerWaalsContact OD1-CB 3.27Å; D1154-A1156 WeakPolarHBondContact OD1-CB 3.34Å; D1154-A1156 PolarHBondContact OD1-N 3.47Å; D1154-A1156 VanDerWaalsContact OD1-N 3.15Å; A1156-L1158 VanDerWaalsContact C-N 3.34Å; A1156-L1159 PolarHBondContact O-N 3.39Å; A1156-K1160 VanDerWaalsContact O-CB 3.32Å; A1156-K1160 WeakPolarHBondContact O-CB 3.46Å; A1156-K1160 WeakPolarHBondContact O-CD 3.3Å; A1156-K1160 VanDerWaalsContact O-CE 3.29Å; A1156-K1160 WeakPolarHBondContact O-CE 3.47Å; A1156-K1160 WeakPolarHBondContact O-CG 3.5Å; A1156-K1160 PolarHBondContact O-N 3.4Å; A1156-P1197 HydrophobicContact CB-CB 3.84Å; A1156-P1197 PolarHBondContact N-O 2.87Å; A1156-D1198 HydrophobicContact CB-CB 4.15Å; A1156-D1198 WeakPolarHBondContact CB-OD1 3.37Å
1157	T	90.6	Very high	90.9	Very high	13 Å²	13	34.1 Å²	34.1	8%	0.08	20%	0.197	C	C	.	.	H	α-helix	trans	-66.1	-33.8	173.3	-64.9	0	0	0	0	112.1	D1154 H1161 Y1378	D1154-T1157 VanDerWaalsContact CG-OG1 3.27Å; D1154-T1157 PolarHBondContact O-N 3.11Å; D1154-T1157 VanDerWaalsContact O-N 3.1Å; D1154-T1157 PolarHBondContact OD1-N 3.2Å; D1154-T1157 PolarHBondContact OD1-OG1 3.25Å; D1154-T1157 WeakPolarHBondContact OD2-CB 3.24Å; D1154-T1157 PolarHBondContact OD2-OG1 3.47Å; T1157-H1161 WeakPolarHBondContact O-CB 3.48Å; T1157-H1161 PolarHBondContact O-N 3.06Å; T1157-H1161 VanDerWaalsContact O-N 3.11Å; T1157-H1161 PolarHBondContact O-ND1 2.9Å; T1157-Y1378 VanDerWaalsContact CG2-O 3.31Å; T1157-Y1378 WeakPolarHBondContact CG2-O 3.36Å
1158	L	91.2	Very high	90.7	Very high	18 Å²	18	36.5 Å²	36.5	9%	0.094	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-49.5	169.8	178.3	60.7	0	0	0	112	D1154 V1155 A1156 K1160 H1161 I1162 L1170 Y1174 I1202 F1366	D1154-L1158 PolarHBondContact O-N 3.07Å; V1155-L1158 WeakPolarHBondContact O-CB 3.09Å; V1155-L1158 PolarHBondContact O-N 3.34Å; A1156-L1158 VanDerWaalsContact C-N 3.34Å; L1158-K1160 VanDerWaalsContact C-N 3.33Å; L1158-K1160 PolarHBondContact O-N 2.84Å; L1158-H1161 PolarHBondContact O-N 3.4Å; L1158-I1162 HydrophobicContact CD1-CD1 3.88Å; L1158-I1162 HydrophobicContact CD1-CG1 4.26Å; L1158-I1162 HydrophobicContact CG-CD1 3.93Å; L1158-I1162 PolarHBondContact O-N 3.01Å; L1158-L1170 HydrophobicContact CD2-CD2 4.44Å; L1158-Y1174 HydrophobicContact CD2-CE2 4.03Å; L1158-I1202 HydrophobicContact CB-CD1 4.19Å; L1158-I1202 HydrophobicContact CD2-CD1 3.67Å; L1158-F1366 HydrophobicContact CD1-CD2 4.41Å; L1158-F1366 HydrophobicContact CD1-CE1 4.38Å; L1158-F1366 HydrophobicContact CD1-CE2 3.89Å; L1158-F1366 HydrophobicContact CD1-CZ 3.86Å; L1158-F1366 HydrophobicContact CD2-CD1 4.15Å; L1158-F1366 HydrophobicContact CD2-CE1 4.15Å; L1158-F1366 HydrophobicContact CD2-CG 4.41Å; L1158-F1366 HydrophobicContact CD2-CZ 4.44Å
1159	L	91.7	Very high	90.4	Very high	14 Å²	14	38.8 Å²	38.8	7%	0.073	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-44.5	177.7	-170.3	74.8	0	0	0	111.4	V1155 A1156 H1161 I1162 G1163 G1164 L1166 E1278	V1155-L1159 WeakPolarHBondContact O-CB 3.36Å; V1155-L1159 PolarHBondContact O-N 2.83Å; A1156-L1159 PolarHBondContact O-N 3.39Å; L1159-H1161 VanDerWaalsContact C-N 3.26Å; L1159-H1161 PolarHBondContact O-N 3.39Å; L1159-I1162 PolarHBondContact O-N 3.49Å; L1159-G1163 PolarHBondContact O-N 3.33Å; L1159-G1164 WeakPolarHBondContact CD1-O 3.35Å; L1159-L1166 HydrophobicContact CD1-CD2 3.75Å; L1159-L1166 HydrophobicContact CD1-CG 3.88Å; L1159-E1278 HydrophobicContact CD2-CG 3.73Å
1160	K	88.7	Confident	90.3	Very high	122 Å²	122	38.1 Å²	38.1	53%	0.53	22%	0.221	S	C	.	.	H	α-helix	trans	-61.9	-29.1	175	-67.2	156.2	-154.7	157.4	0	112.6	A1156 L1158 D1198	A1156-K1160 VanDerWaalsContact O-CB 3.32Å; A1156-K1160 WeakPolarHBondContact O-CB 3.46Å; A1156-K1160 WeakPolarHBondContact O-CD 3.3Å; A1156-K1160 VanDerWaalsContact O-CE 3.29Å; A1156-K1160 WeakPolarHBondContact O-CE 3.47Å; A1156-K1160 WeakPolarHBondContact O-CG 3.5Å; A1156-K1160 PolarHBondContact O-N 3.4Å; L1158-K1160 VanDerWaalsContact C-N 3.33Å; L1158-K1160 PolarHBondContact O-N 2.84Å; K1160-D1198 IonicContact NZ-OD1 2.9Å; K1160-D1198 PolarHBondContact NZ-OD1 2.85Å
1161	H	86.4	Confident	90.3	Very high	136 Å²	136	38 Å²	38	63%	0.63	22%	0.22	S	C	*	.	H	α-helix	trans	-82.4	-37.1	176.1	-87.1	97.3	0	0	0	113.7	T1157 L1158 L1159 G1163	T1157-H1161 WeakPolarHBondContact O-CB 3.48Å; T1157-H1161 PolarHBondContact O-N 3.06Å; T1157-H1161 VanDerWaalsContact O-N 3.11Å; T1157-H1161 PolarHBondContact O-ND1 2.9Å; L1158-H1161 PolarHBondContact O-N 3.4Å; L1159-H1161 VanDerWaalsContact C-N 3.26Å; L1159-H1161 PolarHBondContact O-N 3.39Å; H1161-G1163 VanDerWaalsContact C-N 3.28Å
1162	I	86.7	Confident	90.3	Very high	79 Å²	79	37.8 Å²	37.8	41%	0.405	22%	0.218	S	C	.	.	H	α-helix	trans	-66.4	-35.6	173	-69	167.3	0	0	0	110	L1158 L1159 G1164 L1166	L1158-I1162 HydrophobicContact CD1-CD1 3.88Å; L1158-I1162 HydrophobicContact CD1-CG1 4.26Å; L1158-I1162 HydrophobicContact CG-CD1 3.93Å; L1158-I1162 PolarHBondContact O-N 3.01Å; L1159-I1162 PolarHBondContact O-N 3.49Å; I1162-G1164 VanDerWaalsContact C-N 3.32Å; I1162-L1166 HydrophobicContact CD1-CD2 3.55Å
1163	G	79.4	Confident	90.4	Very high	70 Å²	70	38.5 Å²	38.5	72%	0.722	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	23	174.1	0	0	0	0	0	113.8	L1159 H1161	L1159-G1163 PolarHBondContact O-N 3.33Å; H1161-G1163 VanDerWaalsContact C-N 3.28Å
1164	G	84.5	Confident	90.6	Very high	24 Å²	24	38.5 Å²	38.5	25%	0.247	22%	0.221	C	C	.	.	S	Bend	trans	-176.3	-170.7	-176.7	0	0	0	0	0	109.5	L1159 I1162	L1159-G1164 WeakPolarHBondContact CD1-O 3.35Å; I1162-G1164 VanDerWaalsContact C-N 3.32Å
1165	P	90.3	Very high	90.7	Very high	29 Å²	29	37.5 Å²	37.5	19%	0.188	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-63.6	155.1	179	26.9	-35.2	0	0	0	113.2	F1279 L1280 W1311	P1165-F1279 CarbonylContact C-O 3.54Å; P1165-F1279 WeakPolarHBondContact CA-O 3.18Å; P1165-F1279 WeakPolarHBondContact CB-O 3.02Å; P1165-L1280 VanDerWaalsContact CB-C 3.46Å; P1165-L1280 WeakPolarHBondContact CB-O 3.41Å; P1165-W1311 HydrophobicContact CG-CE3 3.78Å; P1165-W1311 HydrophobicContact CG-CZ3 3.78Å
1166	L	92.9	Very high	90.7	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.037	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-70.8	150.1	170.2	-55.7	-173.8	0	0	0	110.4	V1155 L1159 I1162 L1168 L1170 A1171 Y1174 F1279	V1155-L1166 HydrophobicContact CG1-CD1 4.39Å; L1159-L1166 HydrophobicContact CD1-CD2 3.75Å; L1159-L1166 HydrophobicContact CD1-CG 3.88Å; I1162-L1166 HydrophobicContact CD1-CD2 3.55Å; L1166-L1168 PolarHBondContact O-N 3.44Å; L1166-L1170 HydrophobicContact CB-CD2 4.44Å; L1166-L1170 HydrophobicContact CD2-CD2 4.43Å; L1166-A1171 HydrophobicContact CB-CB 4.33Å; L1166-Y1174 HydrophobicContact CD1-CD2 4.21Å; L1166-F1279 HydrophobicContact CD1-CB 4.03Å; L1166-F1279 HydrophobicContact CD1-CD1 3.8Å; L1166-F1279 HydrophobicContact CD1-CD2 4.23Å; L1166-F1279 HydrophobicContact CD1-CE1 4.31Å; L1166-F1279 HydrophobicContact CD1-CG 3.76Å; L1166-F1279 HydrophobicContact CG-CB 4.3Å; L1166-F1279 HydrophobicContact CG-CD1 4.49Å; L1166-F1279 HydrophobicContact CG-CG 4.48Å; L1166-F1279 PolarHBondContact N-O 3.29Å
1167	P	90.6	Very high	90.9	Very high	75 Å²	75	37.3 Å²	37.3	49%	0.487	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-54.3	137.9	167.6	-24.6	34.5	0	0	0	111.4	D1169 L1170 A1171	P1167-D1169 PolarHBondContact O-N 2.84Å; P1167-D1169 VanDerWaalsContact O-N 3.1Å; P1167-L1170 HydrophobicContact CB-CB 4.33Å; P1167-L1170 WeakPolarHBondContact O-CA 3.3Å; P1167-L1170 WeakPolarHBondContact O-CB 3.41Å; P1167-L1170 PolarHBondContact O-N 2.76Å; P1167-A1171 PolarHBondContact O-N 2.74Å
1168	L	90.1	Very high	91.2	Very high	56 Å²	56	36.7 Å²	36.7	29%	0.293	21%	0.21	S	C	.	.	H	α-helix	trans	-49.3	-41.9	-175.1	178.8	63.7	0	0	0	113.4	L1166 A1171 R1172 L1280 T1314 F1347	L1166-L1168 PolarHBondContact O-N 3.44Å; L1168-A1171 PolarHBondContact O-N 2.94Å; L1168-R1172 WeakPolarHBondContact O-CB 3.16Å; L1168-R1172 PolarHBondContact O-N 3.18Å; L1168-L1280 HydrophobicContact CD1-CD1 4.43Å; L1168-L1280 HydrophobicContact CD1-CD2 3.78Å; L1168-T1314 HydrophobicContact CD2-CG2 3.79Å; L1168-F1347 HydrophobicContact CD1-CE2 3.9Å; L1168-F1347 HydrophobicContact CD1-CZ 4.46Å
1169	D	89.2	Confident	91.5	Very high	88 Å²	88	35.9 Å²	35.9	47%	0.471	21%	0.205	S	C	.	.	H	α-helix	trans	-73.3	-30.9	-178.5	-56.4	-37.3	0	0	0	112.8	P1167 R1172 M1173	P1167-D1169 PolarHBondContact O-N 2.84Å; P1167-D1169 VanDerWaalsContact O-N 3.1Å; D1169-R1172 IonicContact OD1-CZ 2.7Å; D1169-R1172 IonicContact OD1-NH1 2.75Å; D1169-R1172 PolarHBondContact OD1-NH1 3.2Å; D1169-R1172 IonicContact OD1-NH2 3.17Å; D1169-M1173 VanDerWaalsContact O-CB 3.3Å; D1169-M1173 WeakPolarHBondContact O-CB 3.48Å; D1169-M1173 PolarHBondContact O-N 3.02Å; D1169-M1173 VanDerWaalsContact O-N 3.1Å
1170	L	92	Very high	91.7	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-71	-44.2	172.4	-173.4	69.5	0	0	0	110.6	L1158 L1166 P1167 R1172 M1173 Y1174 T1365 F1366	L1158-L1170 HydrophobicContact CD2-CD2 4.44Å; L1166-L1170 HydrophobicContact CB-CD2 4.44Å; L1166-L1170 HydrophobicContact CD2-CD2 4.43Å; P1167-L1170 HydrophobicContact CB-CB 4.33Å; P1167-L1170 WeakPolarHBondContact O-CA 3.3Å; P1167-L1170 WeakPolarHBondContact O-CB 3.41Å; P1167-L1170 PolarHBondContact O-N 2.76Å; L1170-R1172 PolarHBondContact O-N 3.2Å; L1170-M1173 PolarHBondContact O-N 3.23Å; L1170-Y1174 HydrophobicContact CD1-CD1 4.19Å; L1170-Y1174 HydrophobicContact CD1-CD2 4.47Å; L1170-Y1174 HydrophobicContact CD1-CE1 3.66Å; L1170-Y1174 HydrophobicContact CD1-CE2 3.99Å; L1170-Y1174 HydrophobicContact CD2-CE2 4.18Å; L1170-Y1174 HydrophobicContact CG-CD2 4.21Å; L1170-Y1174 HydrophobicContact CG-CE1 4.4Å; L1170-Y1174 HydrophobicContact CG-CE2 3.93Å; L1170-Y1174 PolarHBondContact O-N 2.89Å; L1170-T1365 HydrophobicContact CB-CG2 4.03Å; L1170-T1365 HydrophobicContact CD1-CG2 4.2Å; L1170-F1366 HydrophobicContact CD1-CB 3.69Å; L1170-F1366 HydrophobicContact CD2-CB 4.22Å
1171	A	94.4	Very high	92	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.7	-43.6	175.4	0	0	0	0	0	111.9	L1166 P1167 L1168 F1175 F1279 L1280	L1166-A1171 HydrophobicContact CB-CB 4.33Å; P1167-A1171 PolarHBondContact O-N 2.74Å; L1168-A1171 PolarHBondContact O-N 2.94Å; A1171-F1175 WeakPolarHBondContact O-CB 3.36Å; A1171-F1175 PolarHBondContact O-N 3.29Å; A1171-F1279 HydrophobicContact CB-CB 3.9Å; A1171-F1279 HydrophobicContact CB-CD2 4.41Å; A1171-L1280 HydrophobicContact CB-CD2 3.61Å; A1171-L1280 HydrophobicContact CB-CG 4.29Å
1172	R	94	Very high	92.4	Very high	28 Å²	28	24 Å²	24	11%	0.106	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-45.5	175.4	-170.6	-170.2	-59.4	102.5	1.9	111.7	L1168 D1169 L1170 A1176 F1347 F1348 V1354	L1168-R1172 WeakPolarHBondContact O-CB 3.16Å; L1168-R1172 PolarHBondContact O-N 3.18Å; D1169-R1172 IonicContact OD1-CZ 2.7Å; D1169-R1172 IonicContact OD1-NH1 2.75Å; D1169-R1172 PolarHBondContact OD1-NH1 3.2Å; D1169-R1172 IonicContact OD1-NH2 3.17Å; L1170-R1172 PolarHBondContact O-N 3.2Å; R1172-A1176 WeakPolarHBondContact O-CB 3.47Å; R1172-A1176 PolarHBondContact O-N 3.01Å; R1172-F1347 HydrophobicContact CB-CE1 3.96Å; R1172-F1347 HydrophobicContact CB-CZ 3.86Å; R1172-F1347 WeakPolarHBondContact CD-O 3.49Å; R1172-F1347 HydrophobicContact CG-CD1 4.24Å; R1172-F1347 HydrophobicContact CG-CE1 3.7Å; R1172-F1347 HydrophobicContact CG-CZ 4.03Å; R1172-F1347 PolarHBondContact NE-O 2.83Å; R1172-F1348 HydrophobicContact CG-CD1 3.8Å; R1172-F1348 HydrophobicContact CG-CE1 3.99Å; R1172-V1354 HydrophobicContact CG-CG2 4Å
1173	M	93.1	Very high	92.8	Very high	17 Å²	17	21.9 Å²	21.9	8%	0.084	14%	0.141	C	C	.	.	H	α-helix	trans	-63.4	-56.4	-179.8	-179.9	-178.4	-76.8	0	0	112	D1169 L1170 F1175 A1176 E1177 A1364 T1365	D1169-M1173 VanDerWaalsContact O-CB 3.3Å; D1169-M1173 WeakPolarHBondContact O-CB 3.48Å; D1169-M1173 PolarHBondContact O-N 3.02Å; D1169-M1173 VanDerWaalsContact O-N 3.1Å; L1170-M1173 PolarHBondContact O-N 3.23Å; M1173-F1175 VanDerWaalsContact C-N 3.27Å; M1173-F1175 PolarHBondContact O-N 3.16Å; M1173-A1176 WeakPolarHBondContact O-CB 3.5Å; M1173-A1176 PolarHBondContact O-N 3.48Å; M1173-E1177 WeakPolarHBondContact O-CG 3.44Å; M1173-E1177 PolarHBondContact O-N 2.78Å; M1173-A1364 HydrophobicContact SD-CB 4.4Å; M1173-T1365 WeakPolarHBondContact CE-OG1 3.5Å; M1173-T1365 PolarHBondContact SD-N 3.4Å
1174	Y	95.9	Very high	93.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.5	-36.6	179.6	-72.2	-5.1	0	0	0	112.7	V1155 L1158 L1166 L1170 T1178 I1202 G1206 I1208 F1366	V1155-Y1174 HydrophobicContact CG1-CD2 4.21Å; V1155-Y1174 HydrophobicContact CG1-CE2 4.32Å; V1155-Y1174 HydrophobicContact CG2-CD2 4.17Å; V1155-Y1174 HydrophobicContact CG2-CE2 4.06Å; L1158-Y1174 HydrophobicContact CD2-CE2 4.03Å; L1166-Y1174 HydrophobicContact CD1-CD2 4.21Å; L1170-Y1174 HydrophobicContact CD1-CD1 4.19Å; L1170-Y1174 HydrophobicContact CD1-CD2 4.47Å; L1170-Y1174 HydrophobicContact CD1-CE1 3.66Å; L1170-Y1174 HydrophobicContact CD1-CE2 3.99Å; L1170-Y1174 HydrophobicContact CD2-CE2 4.18Å; L1170-Y1174 HydrophobicContact CG-CD2 4.21Å; L1170-Y1174 HydrophobicContact CG-CE1 4.4Å; L1170-Y1174 HydrophobicContact CG-CE2 3.93Å; L1170-Y1174 PolarHBondContact O-N 2.89Å; Y1174-T1178 WeakPolarHBondContact O-CB 3.34Å; Y1174-T1178 PolarHBondContact O-N 3.21Å; Y1174-T1178 VanDerWaalsContact O-N 3.08Å; Y1174-T1178 PolarHBondContact O-OG1 3.03Å; Y1174-I1202 HydrophobicContact CE2-CD1 4.46Å; Y1174-G1206 WeakPolarHBondContact CE1-O 3.41Å; Y1174-I1208 HydrophobicContact CD1-CD1 3.7Å; Y1174-I1208 HydrophobicContact CD1-CG1 3.49Å; Y1174-I1208 VanDerWaalsContact CD1-CG1 3.49Å; Y1174-I1208 HydrophobicContact CD2-CD1 3.98Å; Y1174-I1208 HydrophobicContact CD2-CG1 4.41Å; Y1174-I1208 HydrophobicContact CE1-CD1 3.79Å; Y1174-I1208 HydrophobicContact CE1-CG1 3.99Å; Y1174-I1208 HydrophobicContact CE2-CD1 4.06Å; Y1174-I1208 HydrophobicContact CG-CD1 3.79Å; Y1174-I1208 HydrophobicContact CG-CG1 3.72Å; Y1174-F1366 WeakPolarHBondContact OH-CD1 3.35Å
1175	F	96	Very high	93.7	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-64.8	-45.8	173.7	-172.8	-78.8	0	0	0	111.3	A1171 M1173 E1177 T1178 V1179 M1272 L1276 L1320 L1324 V1342 F1348	A1171-F1175 WeakPolarHBondContact O-CB 3.36Å; A1171-F1175 PolarHBondContact O-N 3.29Å; M1173-F1175 VanDerWaalsContact C-N 3.27Å; M1173-F1175 PolarHBondContact O-N 3.16Å; F1175-E1177 PolarHBondContact O-N 3.47Å; F1175-T1178 CarbonylContact O-C 3.57Å; F1175-T1178 PolarHBondContact O-N 2.94Å; F1175-V1179 HydrophobicContact CD1-CG2 3.68Å; F1175-V1179 HydrophobicContact CE1-CG2 3.4Å; F1175-V1179 VanDerWaalsContact CE1-CG2 3.4Å; F1175-V1179 HydrophobicContact CZ-CG2 4.29Å; F1175-V1179 WeakPolarHBondContact O-CG2 3.45Å; F1175-V1179 PolarHBondContact O-N 2.97Å; F1175-M1272 HydrophobicContact CD1-CE 3.96Å; F1175-M1272 HydrophobicContact CD2-CE 3.67Å; F1175-M1272 HydrophobicContact CE1-CE 3.86Å; F1175-M1272 HydrophobicContact CE2-CB 3.85Å; F1175-M1272 HydrophobicContact CE2-CE 3.56Å; F1175-M1272 WeakPolarHBondContact CE2-O 3.37Å; F1175-M1272 HydrophobicContact CE2-SD 4.34Å; F1175-M1272 HydrophobicContact CG-CE 3.89Å; F1175-M1272 HydrophobicContact CZ-CB 4.1Å; F1175-M1272 HydrophobicContact CZ-CE 3.67Å; F1175-L1276 HydrophobicContact CB-CD1 4.34Å; F1175-L1276 HydrophobicContact CD2-CB 3.67Å; F1175-L1276 HydrophobicContact CD2-CD1 3.97Å; F1175-L1276 HydrophobicContact CD2-CD2 3.96Å; F1175-L1276 HydrophobicContact CD2-CG 4.07Å; F1175-L1276 HydrophobicContact CE2-CB 3.7Å; F1175-L1276 HydrophobicContact CE2-CD2 3.87Å; F1175-L1276 HydrophobicContact CE2-CG 4.27Å; F1175-L1276 HydrophobicContact CG-CD1 4.32Å; F1175-L1276 HydrophobicContact CG-CD2 4.45Å; F1175-L1276 HydrophobicContact CZ-CD2 4.31Å; F1175-L1320 HydrophobicContact CE1-CD2 4.45Å; F1175-L1324 HydrophobicContact CE2-CD1 4.12Å; F1175-L1324 HydrophobicContact CZ-CD1 3.63Å; F1175-V1342 HydrophobicContact CE1-CG1 3.8Å; F1175-V1342 HydrophobicContact CZ-CG1 4.31Å; F1175-F1348 HydrophobicContact CD1-CE1 4.03Å; F1175-F1348 AromaticContact CD1-CZ 3.49Å; F1175-F1348 HydrophobicContact CD1-CZ 3.49Å; F1175-F1348 VanDerWaalsContact CD1-CZ 3.49Å; F1175-F1348 HydrophobicContact CE1-CE2 4.42Å; F1175-F1348 AromaticContact CE1-CZ 3.68Å; F1175-F1348 HydrophobicContact CE1-CZ 3.68Å
1176	A	95.8	Very high	93.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.2	-42.1	178.6	0	0	0	0	0	112.9	R1172 M1173 T1178 V1179 L1180 F1348 V1354 W1356 L1359	R1172-A1176 WeakPolarHBondContact O-CB 3.47Å; R1172-A1176 PolarHBondContact O-N 3.01Å; M1173-A1176 WeakPolarHBondContact O-CB 3.5Å; M1173-A1176 PolarHBondContact O-N 3.48Å; A1176-T1178 VanDerWaalsContact C-N 3.31Å; A1176-T1178 PolarHBondContact O-N 3.07Å; A1176-V1179 WeakPolarHBondContact O-CB 3.39Å; A1176-V1179 PolarHBondContact O-N 3.27Å; A1176-L1180 PolarHBondContact O-N 3.31Å; A1176-L1180 VanDerWaalsContact O-N 3.1Å; A1176-F1348 HydrophobicContact CB-CE1 4.21Å; A1176-V1354 HydrophobicContact CB-CG1 3.85Å; A1176-V1354 HydrophobicContact CB-CG2 4.26Å; A1176-W1356 HydrophobicContact CB-CE3 4.43Å; A1176-W1356 HydrophobicContact CB-CH2 3.6Å; A1176-W1356 HydrophobicContact CB-CZ2 4.42Å; A1176-W1356 HydrophobicContact CB-CZ3 3.61Å; A1176-W1356 WeakPolarHBondContact O-CZ3 3.4Å; A1176-L1359 HydrophobicContact CB-CD2 3.78Å
1177	E	96	Very high	93.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.6	-41	174.2	-67.5	178.8	169.7	0	0	111.3	F1129 M1173 F1175 V1179 L1180 A1181 H1207 I1208 L1359	F1129-E1177 HydrophobicContact CD1-CB 3.83Å; F1129-E1177 HydrophobicContact CD1-CG 4.06Å; F1129-E1177 HydrophobicContact CE1-CB 3.94Å; F1129-E1177 HydrophobicContact CE1-CG 3.65Å; F1129-E1177 HydrophobicContact CG-CB 4.47Å; F1129-E1177 HydrophobicContact CZ-CG 4.3Å; M1173-E1177 WeakPolarHBondContact O-CG 3.44Å; M1173-E1177 PolarHBondContact O-N 2.78Å; F1175-E1177 PolarHBondContact O-N 3.47Å; E1177-V1179 PolarHBondContact O-N 2.84Å; E1177-L1180 PolarHBondContact O-N 3.24Å; E1177-A1181 PolarHBondContact O-N 2.89Å; E1177-H1207 IonicContact OE1-CE1 2.7Å; E1177-H1207 IonicContact OE1-CG 3.76Å; E1177-H1207 IonicContact OE1-ND1 3.52Å; E1177-H1207 PolarHBondContact OE1-ND1 3.32Å; E1177-I1208 HydrophobicContact CB-CB 4.2Å; E1177-I1208 WeakPolarHBondContact OE2-CB 3.46Å; E1177-I1208 WeakPolarHBondContact OE2-CG1 3.47Å; E1177-I1208 PolarHBondContact OE2-N 2.85Å; E1177-L1359 HydrophobicContact CB-CD2 4.47Å; E1177-L1359 HydrophobicContact CG-CD2 3.65Å; E1177-L1359 HydrophobicContact CG-CG 3.95Å
1178	T	96.9	Very high	93	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-68.6	-31.8	175.8	-49.1	0	0	0	0	112.3	Y1174 F1175 A1176 L1180 A1181 L1182 L1200 M1272	Y1174-T1178 WeakPolarHBondContact O-CB 3.34Å; Y1174-T1178 PolarHBondContact O-N 3.21Å; Y1174-T1178 VanDerWaalsContact O-N 3.08Å; Y1174-T1178 PolarHBondContact O-OG1 3.03Å; F1175-T1178 CarbonylContact O-C 3.57Å; F1175-T1178 PolarHBondContact O-N 2.94Å; A1176-T1178 VanDerWaalsContact C-N 3.31Å; A1176-T1178 PolarHBondContact O-N 3.07Å; T1178-L1180 VanDerWaalsContact C-N 3.34Å; T1178-A1181 PolarHBondContact O-N 3.43Å; T1178-L1182 HydrophobicContact CG2-CD1 4.38Å; T1178-L1182 WeakPolarHBondContact O-CB 3.18Å; T1178-L1182 WeakPolarHBondContact O-CG 3.29Å; T1178-L1182 PolarHBondContact O-N 3.11Å; T1178-L1200 HydrophobicContact CG2-CD2 3.99Å; T1178-L1200 WeakPolarHBondContact OG1-CD1 3.4Å; T1178-M1272 HydrophobicContact CG2-CE 3.82Å; T1178-M1272 HydrophobicContact CG2-SD 3.46Å; T1178-M1272 WeakPolarHBondContact CG2-SD 3.49Å
1179	V	97	Very high	92.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.6	-39.1	170.3	169	0	0	0	0	111.3	F1175 A1176 E1177 L1182 E1183 W1269 M1272 V1342 K1343 W1356	F1175-V1179 HydrophobicContact CD1-CG2 3.68Å; F1175-V1179 HydrophobicContact CE1-CG2 3.4Å; F1175-V1179 VanDerWaalsContact CE1-CG2 3.4Å; F1175-V1179 HydrophobicContact CZ-CG2 4.29Å; F1175-V1179 WeakPolarHBondContact O-CG2 3.45Å; F1175-V1179 PolarHBondContact O-N 2.97Å; A1176-V1179 WeakPolarHBondContact O-CB 3.39Å; A1176-V1179 PolarHBondContact O-N 3.27Å; E1177-V1179 PolarHBondContact O-N 2.84Å; V1179-L1182 PolarHBondContact O-N 2.88Å; V1179-E1183 WeakPolarHBondContact O-CB 3.12Å; V1179-E1183 PolarHBondContact O-N 3.34Å; V1179-W1269 HydrophobicContact CG1-CH2 4.4Å; V1179-W1269 HydrophobicContact CG2-CZ3 4.21Å; V1179-M1272 HydrophobicContact CG2-CE 3.76Å; V1179-V1342 HydrophobicContact CG2-CG1 3.86Å; V1179-K1343 HydrophobicContact CG1-CG 4.1Å; V1179-W1356 HydrophobicContact CB-CH2 4.23Å; V1179-W1356 HydrophobicContact CB-CZ3 4.01Å; V1179-W1356 HydrophobicContact CG1-CH2 4.12Å; V1179-W1356 HydrophobicContact CG1-CZ3 3.92Å
1180	L	95.7	Very high	92.6	Very high	21 Å²	21	13.4 Å²	13.4	11%	0.11	6%	0.062	C	C	.	.	H	α-helix	trans	-70.2	-37.9	175.5	-65.7	-177.4	0	0	0	112.4	F1129 A1176 E1177 T1178 L1182 E1183 Y1184 W1356 L1359	F1129-L1180 HydrophobicContact CD2-CB 3.82Å; F1129-L1180 HydrophobicContact CD2-CD1 4.36Å; F1129-L1180 HydrophobicContact CE2-CB 3.94Å; F1129-L1180 HydrophobicContact CE2-CD1 3.61Å; F1129-L1180 HydrophobicContact CE2-CG 4.43Å; F1129-L1180 HydrophobicContact CZ-CD1 4.16Å; A1176-L1180 PolarHBondContact O-N 3.31Å; A1176-L1180 VanDerWaalsContact O-N 3.1Å; E1177-L1180 PolarHBondContact O-N 3.24Å; T1178-L1180 VanDerWaalsContact C-N 3.34Å; L1180-L1182 VanDerWaalsContact C-N 3.33Å; L1180-L1182 PolarHBondContact O-N 3Å; L1180-E1183 WeakPolarHBondContact CD2-OE2 3.39Å; L1180-Y1184 PolarHBondContact O-N 3Å; L1180-Y1184 VanDerWaalsContact O-N 3.14Å; L1180-W1356 HydrophobicContact CD2-CE3 3.93Å; L1180-W1356 HydrophobicContact CD2-CZ3 4.43Å; L1180-W1356 HydrophobicContact CG-CE3 4.11Å; L1180-W1356 HydrophobicContact CG-CZ3 4.35Å; L1180-L1359 HydrophobicContact CD1-CB 4.32Å; L1180-L1359 HydrophobicContact CD1-CD2 3.87Å
1181	A	95.7	Very high	92.5	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-60.8	-42	171.7	0	0	0	0	0	111.9	F1129 V1130 E1177 T1178 L1185 L1210	F1129-A1181 HydrophobicContact CB-CB 3.9Å; V1130-A1181 HydrophobicContact CG2-CB 4.27Å; E1177-A1181 PolarHBondContact O-N 2.89Å; T1178-A1181 PolarHBondContact O-N 3.43Å; A1181-L1185 VanDerWaalsContact O-CG 3.31Å; A1181-L1185 WeakPolarHBondContact O-CG 3.38Å; A1181-L1185 PolarHBondContact O-N 3.33Å; A1181-L1185 VanDerWaalsContact O-N 3.17Å; A1181-L1210 HydrophobicContact CB-CB 4.29Å; A1181-L1210 HydrophobicContact CB-CD2 4.22Å
1182	L	95	Very high	92.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-72.7	-38.5	178.7	-72.7	170.6	0	0	0	113.4	T1178 V1179 L1180 Y1184 L1185 H1186 H1192 L1195 D1268 W1269 M1272	T1178-L1182 HydrophobicContact CG2-CD1 4.38Å; T1178-L1182 WeakPolarHBondContact O-CB 3.18Å; T1178-L1182 WeakPolarHBondContact O-CG 3.29Å; T1178-L1182 PolarHBondContact O-N 3.11Å; V1179-L1182 PolarHBondContact O-N 2.88Å; L1180-L1182 VanDerWaalsContact C-N 3.33Å; L1180-L1182 PolarHBondContact O-N 3Å; L1182-Y1184 VanDerWaalsContact C-N 3.31Å; L1182-Y1184 PolarHBondContact O-N 3.32Å; L1182-L1185 HydrophobicContact CD2-CD1 4.47Å; L1182-L1185 PolarHBondContact O-N 2.93Å; L1182-H1186 VanDerWaalsContact O-CB 3.24Å; L1182-H1186 WeakPolarHBondContact O-CB 3.34Å; L1182-H1186 PolarHBondContact O-CD2 3.3Å; L1182-H1186 VanDerWaalsContact O-CG 3.29Å; L1182-H1186 PolarHBondContact O-N 3.38Å; L1182-H1192 HydrophobicContact CD2-CB 4.31Å; L1182-L1195 HydrophobicContact CD1-CD1 3.67Å; L1182-L1195 HydrophobicContact CD2-CD1 3.88Å; L1182-L1195 HydrophobicContact CD2-CD2 4.18Å; L1182-L1195 HydrophobicContact CD2-CG 4.47Å; L1182-L1195 HydrophobicContact CG-CD1 4.33Å; L1182-D1268 HydrophobicContact CD1-CB 4.48Å; L1182-D1268 HydrophobicContact CD2-CB 4.05Å; L1182-W1269 HydrophobicContact CB-CH2 4.14Å; L1182-W1269 HydrophobicContact CB-CZ3 4.35Å; L1182-W1269 HydrophobicContact CD1-CE3 4.33Å; L1182-W1269 HydrophobicContact CD1-CZ3 3.98Å; L1182-M1272 HydrophobicContact CD1-CE 4.25Å; L1182-M1272 HydrophobicContact CD1-CG 3.5Å; L1182-M1272 VanDerWaalsContact CD1-CG 3.5Å; L1182-M1272 HydrophobicContact CD1-SD 3.85Å
1183	E	93.7	Very high	92.2	Very high	36 Å²	36	13.1 Å²	13.1	17%	0.168	6%	0.06	C	C	.	.	H	α-helix	trans	-55	-48.1	171.9	175.3	170.1	-102.7	0	0	111.4	V1179 L1180 N1187 S1339 K1343	V1179-E1183 WeakPolarHBondContact O-CB 3.12Å; V1179-E1183 PolarHBondContact O-N 3.34Å; L1180-E1183 WeakPolarHBondContact CD2-OE2 3.39Å; E1183-N1187 VanDerWaalsContact O-CB 3.29Å; E1183-N1187 WeakPolarHBondContact O-CB 3.37Å; E1183-N1187 PolarHBondContact O-N 2.86Å; E1183-N1187 PolarHBondContact O-ND2 2.95Å; E1183-N1187 VanDerWaalsContact O-ND2 3.13Å; E1183-S1339 WeakPolarHBondContact CG-OG 3.44Å; E1183-S1339 VanDerWaalsContact OE1-CB 3.32Å; E1183-S1339 WeakPolarHBondContact OE1-CB 3.46Å; E1183-S1339 PolarHBondContact OE1-OG 2.88Å; E1183-K1343 WeakPolarHBondContact OE1-CE 3.38Å; E1183-K1343 IonicContact OE1-NZ 2.72Å; E1183-K1343 PolarHBondContact OE1-NZ 3.05Å; E1183-K1343 IonicContact OE2-NZ 3.78Å; E1183-K1343 PolarHBondContact OE2-NZ 2.93Å
1184	Y	92.9	Very high	92.1	Very high	24 Å²	24	12.6 Å²	12.6	9%	0.094	6%	0.058	C	C	.	.	H	α-helix	trans	-55.2	-55.2	174.5	176.7	-92.3	0	0	0	111.4	F1124 D1126 N1127 L1180 L1182 H1186 N1187 Y1188	F1124-Y1184 PolarHBondContact O-OH 3.31Å; D1126-Y1184 PolarHBondContact N-OH 2.67Å; D1126-Y1184 VanDerWaalsContact O-CE2 3.3Å; D1126-Y1184 WeakPolarHBondContact O-CE2 3.39Å; D1126-Y1184 PolarHBondContact O-OH 2.82Å; N1127-Y1184 HydrophobicContact CB-CD1 3.95Å; N1127-Y1184 HydrophobicContact CB-CD2 3.84Å; N1127-Y1184 HydrophobicContact CB-CE1 4.01Å; N1127-Y1184 HydrophobicContact CB-CE2 3.87Å; N1127-Y1184 HydrophobicContact CB-CG 3.88Å; N1127-Y1184 WeakPolarHBondContact ND2-CB 3.45Å; N1127-Y1184 VanDerWaalsContact ND2-CD2 3.3Å; N1127-Y1184 WeakPolarHBondContact ND2-CD2 3.37Å; L1180-Y1184 PolarHBondContact O-N 3Å; L1180-Y1184 VanDerWaalsContact O-N 3.14Å; L1182-Y1184 VanDerWaalsContact C-N 3.31Å; L1182-Y1184 PolarHBondContact O-N 3.32Å; Y1184-H1186 PolarHBondContact O-N 3.23Å; Y1184-N1187 PolarHBondContact O-N 2.8Å; Y1184-Y1188 HydrophobicContact CD1-CD2 4.39Å; Y1184-Y1188 HydrophobicContact CD2-CE2 4.03Å; Y1184-Y1188 HydrophobicContact CE1-CD2 4.09Å; Y1184-Y1188 HydrophobicContact CE1-CE2 4.08Å; Y1184-Y1188 HydrophobicContact CE2-CD2 4.28Å; Y1184-Y1188 AromaticContact CE2-CE2 3.53Å; Y1184-Y1188 HydrophobicContact CE2-CE2 3.53Å; Y1184-Y1188 AromaticContact CZ-CE2 3.54Å; Y1184-Y1188 VanDerWaalsContact O-CD2 3.31Å; Y1184-Y1188 WeakPolarHBondContact O-CD2 3.48Å; Y1184-Y1188 PolarHBondContact O-N 3.17Å
1185	L	91.5	Very high	92.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61.1	-46	-178.1	-67.5	169.6	0	0	0	112.4	A1181 L1182 N1187 Y1188 G1189 I1190 L1210 F1213	A1181-L1185 VanDerWaalsContact O-CG 3.31Å; A1181-L1185 WeakPolarHBondContact O-CG 3.38Å; A1181-L1185 PolarHBondContact O-N 3.33Å; A1181-L1185 VanDerWaalsContact O-N 3.17Å; L1182-L1185 HydrophobicContact CD2-CD1 4.47Å; L1182-L1185 PolarHBondContact O-N 2.93Å; L1185-N1187 VanDerWaalsContact C-N 3.28Å; L1185-N1187 PolarHBondContact O-N 2.86Å; L1185-Y1188 CarbonylContact O-C 3.49Å; L1185-Y1188 PolarHBondContact O-N 2.85Å; L1185-Y1188 VanDerWaalsContact O-N 3.14Å; L1185-G1189 PolarHBondContact O-N 2.85Å; L1185-G1189 VanDerWaalsContact O-N 3.13Å; L1185-I1190 CarbonylContact C-O 3.58Å; L1185-I1190 HydrophobicContact CB-CB 4.12Å; L1185-I1190 HydrophobicContact CB-CG2 4.42Å; L1185-I1190 HydrophobicContact CD2-CB 4.26Å; L1185-I1190 HydrophobicContact CD2-CD1 3.77Å; L1185-I1190 HydrophobicContact CD2-CG2 4.15Å; L1185-I1190 WeakPolarHBondContact O-CB 3.13Å; L1185-I1190 PolarHBondContact O-N 3.22Å; L1185-L1210 HydrophobicContact CD1-CD2 3.63Å; L1185-F1213 HydrophobicContact CD1-CE1 3.72Å; L1185-F1213 HydrophobicContact CD1-CZ 4.23Å; L1185-F1213 HydrophobicContact CD2-CE1 3.61Å; L1185-F1213 HydrophobicContact CD2-CZ 4.23Å; L1185-F1213 HydrophobicContact CG-CE1 4.33Å
1186	H	90.9	Very high	92	Very high	9 Å²	9	13.9 Å²	13.9	4%	0.042	6%	0.064	C	C	.	.	H	α-helix	trans	-66.6	-29.1	-178.7	-74.8	-158.1	0	0	0	112.2	L1182 Y1184 G1189 I1190 N1222 K1265 D1268	L1182-H1186 VanDerWaalsContact O-CB 3.24Å; L1182-H1186 WeakPolarHBondContact O-CB 3.34Å; L1182-H1186 PolarHBondContact O-CD2 3.3Å; L1182-H1186 VanDerWaalsContact O-CG 3.29Å; L1182-H1186 PolarHBondContact O-N 3.38Å; Y1184-H1186 PolarHBondContact O-N 3.23Å; H1186-G1189 WeakPolarHBondContact O-CA 3.47Å; H1186-G1189 PolarHBondContact O-N 3.38Å; H1186-I1190 PolarHBondContact CD2-O 3.4Å; H1186-I1190 VanDerWaalsContact CD2-O 3.26Å; H1186-N1222 PolarHBondContact O-ND2 3Å; H1186-K1265 HydrophobicContact CB-CD 4.01Å; H1186-K1265 HydrophobicContact CB-CG 4.41Å; H1186-K1265 VanDerWaalsContact O-CE 3.29Å; H1186-K1265 WeakPolarHBondContact O-CE 3.39Å; H1186-K1265 PolarHBondContact O-NZ 3.15Å; H1186-D1268 IonicContact CD2-OD2 3.61Å; H1186-D1268 IonicContact CE1-OD2 2.69Å; H1186-D1268 IonicContact NE2-OD2 3.19Å; H1186-D1268 PolarHBondContact NE2-OD2 3.13Å
1187	N	85.7	Confident	92	Very high	76 Å²	76	13.9 Å²	13.9	41%	0.406	6%	0.064	S	C	.	.	H	α-helix	trans	-72.3	-29.8	173.9	-73.4	-21.1	0	0	0	113	E1183 Y1184 L1185 G1189 N1222	E1183-N1187 VanDerWaalsContact O-CB 3.29Å; E1183-N1187 WeakPolarHBondContact O-CB 3.37Å; E1183-N1187 PolarHBondContact O-N 2.86Å; E1183-N1187 PolarHBondContact O-ND2 2.95Å; E1183-N1187 VanDerWaalsContact O-ND2 3.13Å; Y1184-N1187 PolarHBondContact O-N 2.8Å; L1185-N1187 VanDerWaalsContact C-N 3.28Å; L1185-N1187 PolarHBondContact O-N 2.86Å; N1187-G1189 PolarHBondContact O-N 3.11Å; N1187-N1222 WeakPolarHBondContact O-CB 3.46Å
1188	Y	82.3	Confident	91.8	Very high	60 Å²	60	16.5 Å²	16.5	24%	0.235	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.7	164.3	-73.4	-78.3	0	0	0	113.5	F1124 Y1184 L1185 I1190	F1124-Y1188 HydrophobicContact CE2-CD1 4.23Å; F1124-Y1188 HydrophobicContact CE2-CG 4.27Å; Y1184-Y1188 HydrophobicContact CD1-CD2 4.39Å; Y1184-Y1188 HydrophobicContact CD2-CE2 4.03Å; Y1184-Y1188 HydrophobicContact CE1-CD2 4.09Å; Y1184-Y1188 HydrophobicContact CE1-CE2 4.08Å; Y1184-Y1188 HydrophobicContact CE2-CD2 4.28Å; Y1184-Y1188 AromaticContact CE2-CE2 3.53Å; Y1184-Y1188 HydrophobicContact CE2-CE2 3.53Å; Y1184-Y1188 AromaticContact CZ-CE2 3.54Å; Y1184-Y1188 VanDerWaalsContact O-CD2 3.31Å; Y1184-Y1188 WeakPolarHBondContact O-CD2 3.48Å; Y1184-Y1188 PolarHBondContact O-N 3.17Å; L1185-Y1188 CarbonylContact O-C 3.49Å; L1185-Y1188 PolarHBondContact O-N 2.85Å; L1185-Y1188 VanDerWaalsContact O-N 3.14Å; Y1188-I1190 VanDerWaalsContact C-N 3.31Å
1189	G	81.9	Confident	91.6	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	11.9	-175.8	0	0	0	0	0	114	L1185 H1186 N1187 G1219 N1222	L1185-G1189 PolarHBondContact O-N 2.85Å; L1185-G1189 VanDerWaalsContact O-N 3.13Å; H1186-G1189 WeakPolarHBondContact O-CA 3.47Å; H1186-G1189 PolarHBondContact O-N 3.38Å; N1187-G1189 PolarHBondContact O-N 3.11Å; G1189-G1219 WeakPolarHBondContact O-CA 3.34Å; G1189-G1219 PolarHBondContact O-N 3.49Å; G1189-N1222 VanDerWaalsContact CA-ND2 3.35Å; G1189-N1222 WeakPolarHBondContact CA-ND2 3.3Å
1190	I	87.4	Confident	91.6	Very high	1 Å²	1	17 Å²	17	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	139.6	172.2	-58	157.4	0	0	0	108.8	I1121 F1124 L1185 H1186 Y1188 R1217 I1218	I1121-I1190 HydrophobicContact CD1-CG2 4.11Å; I1121-I1190 HydrophobicContact CG1-CD1 4.36Å; I1121-I1190 HydrophobicContact CG1-CG1 4.39Å; I1121-I1190 HydrophobicContact CG2-CD1 3.9Å; F1124-I1190 HydrophobicContact CE2-CD1 3.88Å; F1124-I1190 HydrophobicContact CZ-CD1 3.99Å; L1185-I1190 CarbonylContact C-O 3.58Å; L1185-I1190 HydrophobicContact CB-CB 4.12Å; L1185-I1190 HydrophobicContact CB-CG2 4.42Å; L1185-I1190 HydrophobicContact CD2-CB 4.26Å; L1185-I1190 HydrophobicContact CD2-CD1 3.77Å; L1185-I1190 HydrophobicContact CD2-CG2 4.15Å; L1185-I1190 WeakPolarHBondContact O-CB 3.13Å; L1185-I1190 PolarHBondContact O-N 3.22Å; H1186-I1190 PolarHBondContact CD2-O 3.4Å; H1186-I1190 VanDerWaalsContact CD2-O 3.26Å; Y1188-I1190 VanDerWaalsContact C-N 3.31Å; I1190-R1217 WeakPolarHBondContact CA-O 3.19Å; I1190-I1218 HydrophobicContact CG1-CG1 4.37Å
1191	V	90.8	Very high	91.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.9	166.6	-176.3	0	0	0	0	107.5	R1193 S1216 R1217 M1240 F1241 K1265 V1267 D1268	V1191-R1193 HydrophobicContact CB-CG 4.26Å; V1191-R1193 HydrophobicContact CG1-CG 3.78Å; V1191-S1216 CarbonylContact O-C 3.54Å; V1191-S1216 VanDerWaalsContact O-CA 3.32Å; V1191-S1216 WeakPolarHBondContact O-CA 3.41Å; V1191-R1217 PolarHBondContact N-O 3.25Å; V1191-R1217 PolarHBondContact O-N 2.87Å; V1191-M1240 HydrophobicContact CG2-CE 3.94Å; V1191-F1241 HydrophobicContact CB-CE2 3.99Å; V1191-F1241 HydrophobicContact CG2-CE2 3.79Å; V1191-K1265 HydrophobicContact CG2-CG 4.15Å; V1191-V1267 HydrophobicContact CG1-CG2 3.7Å; V1191-D1268 WeakPolarHBondContact CA-OD2 2.88Å; V1191-D1268 VanDerWaalsContact CG1-OD2 3.29Å; V1191-D1268 WeakPolarHBondContact CG1-OD2 3.4Å
1192	H	92	Very high	91.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.081	C	C	.	.			trans	-76.9	-45.1	-169.3	-169.4	-103.9	0	0	0	112.8	L1182 D1194 L1195 T1211 F1213 L1215 S1216 D1268	L1182-H1192 HydrophobicContact CD2-CB 4.31Å; H1192-D1194 PolarHBondContact CE1-O 3.31Å; H1192-D1194 PolarHBondContact ND1-O 2.82Å; H1192-D1194 PolarHBondContact O-N 3.13Å; H1192-D1194 VanDerWaalsContact O-N 3.11Å; H1192-L1195 HydrophobicContact CB-CD2 4.26Å; H1192-L1195 HydrophobicContact CB-CG 4.16Å; H1192-L1195 WeakPolarHBondContact ND1-CD2 3.15Å; H1192-L1195 PolarHBondContact ND1-N 3.25Å; H1192-T1211 PolarHBondContact NE2-O 2.88Å; H1192-F1213 AromaticContact CD2-CD1 3.9Å; H1192-F1213 AromaticContact CD2-CE1 3.76Å; H1192-L1215 CarbonylContact O-C 3.48Å; H1192-S1216 WeakPolarHBondContact CA-OG 3.49Å; H1192-S1216 PolarHBondContact CD2-OG 3.32Å; H1192-S1216 VanDerWaalsContact CD2-OG 3.24Å; H1192-S1216 VanDerWaalsContact O-CA 3.28Å; H1192-S1216 WeakPolarHBondContact O-CA 3.24Å; H1192-S1216 PolarHBondContact O-N 2.82Å; H1192-S1216 PolarHBondContact O-OG 2.93Å; H1192-D1268 PolarHBondContact N-OD1 3.17Å; H1192-D1268 PolarHBondContact N-OD2 3.02Å
1193	R	90.8	Very high	91.5	Very high	28 Å²	28	18 Å²	18	11%	0.106	9%	0.086	C	C	.	.			trans	65	-2	174.1	-46.9	-173.2	-62.6	169.3	-0.4	117.6	V1191 L1215 S1216 D1243 Y1263 V1267 D1268	V1191-R1193 HydrophobicContact CB-CG 4.26Å; V1191-R1193 HydrophobicContact CG1-CG 3.78Å; R1193-L1215 PolarHBondContact NE-O 2.81Å; R1193-L1215 PolarHBondContact NH2-O 3.41Å; R1193-S1216 PolarHBondContact NH2-O 3.17Å; R1193-S1216 VanDerWaalsContact NH2-O 3.08Å; R1193-D1243 IonicContact NH1-OD2 2.94Å; R1193-D1243 PolarHBondContact NH1-OD2 3.27Å; R1193-D1243 VanDerWaalsContact NH1-OD2 3.15Å; R1193-Y1263 WeakPolarHBondContact CD-OH 3.35Å; R1193-Y1263 HydrophobicContact CG-CE2 4.19Å; R1193-Y1263 PolarHBondContact NH1-OH 2.87Å; R1193-V1267 HydrophobicContact CG-CG2 4.41Å; R1193-D1268 PolarHBondContact N-OD1 2.96Å
1194	D	91.3	Very high	91.4	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.032	10%	0.099	C	C	.	.			trans	-144.3	51.7	172.8	-164.1	45.8	0	0	0	111.2	H1192 K1196 N1199 L1215 T1249	H1192-D1194 PolarHBondContact CE1-O 3.31Å; H1192-D1194 PolarHBondContact ND1-O 2.82Å; H1192-D1194 PolarHBondContact O-N 3.13Å; H1192-D1194 VanDerWaalsContact O-N 3.11Å; D1194-K1196 IonicContact OD1-NZ 3.4Å; D1194-K1196 IonicContact OD2-NZ 2.69Å; D1194-K1196 PolarHBondContact OD2-NZ 2.89Å; D1194-N1199 PolarHBondContact O-ND2 3.11Å; D1194-N1199 PolarHBondContact OD2-ND2 3.41Å; D1194-L1215 HydrophobicContact CB-CB 3.77Å; D1194-L1215 HydrophobicContact CB-CD1 3.69Å; D1194-L1215 HydrophobicContact CB-CG 4.37Å; D1194-T1249 WeakPolarHBondContact OD1-CB 3.28Å; D1194-T1249 PolarHBondContact OD1-N 3.19Å; D1194-T1249 PolarHBondContact OD1-OG1 3.06Å
1195	L	95	Very high	91.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.12	C	C	.	.			trans	-73.2	128.5	169.5	-68.8	170.7	0	0	0	110.1	L1182 H1192 L1210 Y1252 D1268 M1272 M1275	L1182-L1195 HydrophobicContact CD1-CD1 3.67Å; L1182-L1195 HydrophobicContact CD2-CD1 3.88Å; L1182-L1195 HydrophobicContact CD2-CD2 4.18Å; L1182-L1195 HydrophobicContact CD2-CG 4.47Å; L1182-L1195 HydrophobicContact CG-CD1 4.33Å; H1192-L1195 HydrophobicContact CB-CD2 4.26Å; H1192-L1195 HydrophobicContact CB-CG 4.16Å; H1192-L1195 WeakPolarHBondContact ND1-CD2 3.15Å; H1192-L1195 PolarHBondContact ND1-N 3.25Å; L1195-L1210 HydrophobicContact CD2-CD1 3.7Å; L1195-L1210 HydrophobicContact CD2-CD2 4.08Å; L1195-Y1252 WeakPolarHBondContact O-CD1 3.22Å; L1195-D1268 HydrophobicContact CD1-CB 3.7Å; L1195-D1268 WeakPolarHBondContact CD1-O 3.45Å; L1195-M1272 HydrophobicContact CD1-CG 3.98Å; L1195-M1272 HydrophobicContact CD1-SD 4.43Å; L1195-M1275 HydrophobicContact CB-SD 3.87Å
1196	K	94.5	Very high	91.3	Very high	28 Å²	28	25.1 Å²	25.1	12%	0.122	12%	0.12	C	C	.	.			trans	-165.9	163.4	175.8	66.8	-155.8	-175.6	-153.3	0	109	D1194 D1198 N1199 T1249 Y1252 M1275	D1194-K1196 IonicContact OD1-NZ 3.4Å; D1194-K1196 IonicContact OD2-NZ 2.69Å; D1194-K1196 PolarHBondContact OD2-NZ 2.89Å; K1196-D1198 VanDerWaalsContact C-N 3.26Å; K1196-D1198 HydrophobicContact CG-CB 4.28Å; K1196-D1198 PolarHBondContact O-N 3.21Å; K1196-N1199 WeakPolarHBondContact CE-ND2 3.35Å; K1196-N1199 WeakPolarHBondContact CE-OD1 3.42Å; K1196-N1199 HydrophobicContact CG-CB 4.15Å; K1196-N1199 PolarHBondContact O-N 3.19Å; K1196-T1249 HydrophobicContact CD-CG2 4.13Å; K1196-T1249 VanDerWaalsContact CD-OG1 3.26Å; K1196-T1249 WeakPolarHBondContact CD-OG1 3.32Å; K1196-T1249 PolarHBondContact NZ-OG1 3.2Å; K1196-Y1252 HydrophobicContact CB-CD1 4.13Å; K1196-Y1252 HydrophobicContact CB-CD2 4.07Å; K1196-Y1252 HydrophobicContact CB-CE1 3.86Å; K1196-Y1252 HydrophobicContact CB-CE2 3.81Å; K1196-Y1252 HydrophobicContact CB-CG 4.24Å; K1196-M1275 VanDerWaalsContact CA-SD 3.57Å; K1196-M1275 PolarHBondContact N-SD 3.32Å
1197	P	94.7	Very high	91.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-67.3	-22.4	-177	-18.3	32.7	0	0	0	114.1	V1155 A1156 N1199 L1200 Y1252 M1275 E1278 F1279	V1155-P1197 HydrophobicContact CB-CB 4.08Å; V1155-P1197 HydrophobicContact CG1-CB 4.12Å; V1155-P1197 PolarHBondContact N-O 3.39Å; A1156-P1197 HydrophobicContact CB-CB 3.84Å; A1156-P1197 PolarHBondContact N-O 2.87Å; P1197-N1199 PolarHBondContact O-N 3.03Å; P1197-L1200 PolarHBondContact O-N 2.98Å; P1197-Y1252 WeakPolarHBondContact CD-OH 3.49Å; P1197-M1275 HydrophobicContact CG-CE 4.46Å; P1197-M1275 HydrophobicContact CG-CG 4.33Å; P1197-E1278 VanDerWaalsContact CG-OE2 3.24Å; P1197-E1278 WeakPolarHBondContact CG-OE2 3.35Å; P1197-F1279 HydrophobicContact CB-CE1 4Å; P1197-F1279 HydrophobicContact CG-CE1 3.8Å
1198	D	91.6	Very high	92	Very high	56 Å²	56	21.9 Å²	21.9	30%	0.299	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	-70.6	-15.3	174.1	-42.8	-103.2	0	0	0	112.5	A1156 K1160 K1196	A1156-D1198 HydrophobicContact CB-CB 4.15Å; A1156-D1198 WeakPolarHBondContact CB-OD1 3.37Å; K1160-D1198 IonicContact NZ-OD1 2.9Å; K1160-D1198 PolarHBondContact NZ-OD1 2.85Å; K1196-D1198 VanDerWaalsContact C-N 3.26Å; K1196-D1198 HydrophobicContact CG-CB 4.28Å; K1196-D1198 PolarHBondContact O-N 3.21Å
1199	N	94.1	Very high	92.6	Very high	10 Å²	10	20.5 Å²	20.5	5%	0.053	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-102.7	4.2	177.1	-73.8	-5.2	0	0	0	113.1	D1194 K1196 P1197 T1211	D1194-N1199 PolarHBondContact O-ND2 3.11Å; D1194-N1199 PolarHBondContact OD2-ND2 3.41Å; K1196-N1199 WeakPolarHBondContact CE-ND2 3.35Å; K1196-N1199 WeakPolarHBondContact CE-OD1 3.42Å; K1196-N1199 HydrophobicContact CG-CB 4.15Å; K1196-N1199 PolarHBondContact O-N 3.19Å; P1197-N1199 PolarHBondContact O-N 3.03Å; N1199-T1211 PolarHBondContact O-N 3.01Å
1200	L	95.4	Very high	93.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	113.8	167.3	-62.2	-169.3	0	0	0	108.8	D1154 V1155 T1178 P1197 I1208 L1210 M1275 F1279	D1154-L1200 CarbonylContact C-O 3.16Å; D1154-L1200 VanDerWaalsContact CA-O 3.31Å; D1154-L1200 WeakPolarHBondContact CA-O 3.18Å; V1155-L1200 HydrophobicContact CB-CB 4.16Å; V1155-L1200 HydrophobicContact CG2-CB 3.67Å; V1155-L1200 HydrophobicContact CG2-CD1 4.43Å; V1155-L1200 PolarHBondContact N-O 3.16Å; T1178-L1200 HydrophobicContact CG2-CD2 3.99Å; T1178-L1200 WeakPolarHBondContact OG1-CD1 3.4Å; P1197-L1200 PolarHBondContact O-N 2.98Å; L1200-I1208 HydrophobicContact CB-CD1 4.47Å; L1200-I1208 HydrophobicContact CB-CG2 4.02Å; L1200-I1208 HydrophobicContact CD1-CG2 4.17Å; L1200-I1208 HydrophobicContact CD2-CG2 3.86Å; L1200-I1208 HydrophobicContact CG-CG2 4.23Å; L1200-L1210 HydrophobicContact CD2-CB 4.41Å; L1200-L1210 HydrophobicContact CD2-CD1 3.87Å; L1200-M1275 HydrophobicContact CD1-CE 3.42Å; L1200-M1275 VanDerWaalsContact CD1-CE 3.42Å; L1200-M1275 HydrophobicContact CD2-CE 4.46Å; L1200-M1275 HydrophobicContact CG-CE 3.8Å; L1200-F1279 HydrophobicContact CD1-CZ 4.19Å
1201	L	95.6	Very high	93.5	Very high	26 Å²	26	21.3 Å²	21.3	14%	0.136	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	149.1	174.9	-56.2	-176.2	0	0	0	110.8	V1131 V1150 G1153 D1154 I1208 K1209 T1211	V1131-L1201 HydrophobicContact CG2-CD1 4.23Å; V1150-L1201 HydrophobicContact CB-CB 4.04Å; V1150-L1201 HydrophobicContact CB-CD1 4.04Å; V1150-L1201 HydrophobicContact CG1-CB 3.59Å; V1150-L1201 HydrophobicContact CG2-CD1 4.33Å; G1153-L1201 CarbonylContact O-C 3.1Å; G1153-L1201 VanDerWaalsContact O-CA 3.26Å; G1153-L1201 WeakPolarHBondContact O-CA 3.31Å; D1154-L1201 HydrophobicContact CB-CD2 3.97Å; L1201-I1208 CarbonylContact O-C 3.52Å; L1201-I1208 WeakPolarHBondContact O-CA 3.34Å; L1201-K1209 PolarHBondContact N-O 3.44Å; L1201-K1209 PolarHBondContact O-N 3.45Å; L1201-T1211 HydrophobicContact CD1-CG2 3.94Å; L1201-T1211 HydrophobicContact CD2-CG2 4.29Å; L1201-T1211 HydrophobicContact CG-CG2 3.81Å
1202	I	95.4	Very high	93.2	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.4	-179.3	-51.1	167.5	0	0	0	109	V1150 G1152 G1153 V1155 L1158 Y1174 I1208 F1366 P1368	V1150-I1202 VanDerWaalsContact CG1-C 3.5Å; V1150-I1202 WeakPolarHBondContact CG1-O 3.42Å; G1152-I1202 WeakPolarHBondContact CA-O 3.24Å; G1152-I1202 PolarHBondContact N-O 3.29Å; G1153-I1202 PolarHBondContact O-N 2.87Å; V1155-I1202 HydrophobicContact CG2-CD1 4.06Å; V1155-I1202 HydrophobicContact CG2-CG1 3.84Å; L1158-I1202 HydrophobicContact CB-CD1 4.19Å; L1158-I1202 HydrophobicContact CD2-CD1 3.67Å; Y1174-I1202 HydrophobicContact CE2-CD1 4.46Å; I1202-I1208 HydrophobicContact CG1-CD1 3.95Å; I1202-F1366 HydrophobicContact CD1-CD1 4.41Å; I1202-F1366 HydrophobicContact CD1-CE1 4.05Å; I1202-F1366 HydrophobicContact CG2-CD1 4.23Å; I1202-F1366 HydrophobicContact CG2-CE1 4.21Å; I1202-P1368 HydrophobicContact CG2-CG 4.02Å
1203	T	93.9	Very high	92.8	Very high	16 Å²	16	22.7 Å²	22.7	10%	0.098	11%	0.11	C	C	.	.			trans	-69.9	161	174.6	55.4	0	0	0	0	112.1	V1150 E1205 G1206 H1207 K1209 P1368	V1150-T1203 HydrophobicContact CG1-CG2 4.01Å; T1203-E1205 PolarHBondContact O-N 3.29Å; T1203-E1205 VanDerWaalsContact O-N 3.12Å; T1203-G1206 PolarHBondContact O-N 2.81Å; T1203-G1206 PolarHBondContact OG1-N 3.39Å; T1203-H1207 WeakPolarHBondContact CB-O 3.35Å; T1203-H1207 WeakPolarHBondContact CG2-O 3.41Å; T1203-H1207 PolarHBondContact N-O 2.97Å; T1203-H1207 PolarHBondContact OG1-N 3.29Å; T1203-H1207 PolarHBondContact OG1-O 2.8Å; T1203-K1209 HydrophobicContact CG2-CD 4.08Å; T1203-K1209 HydrophobicContact CG2-CG 4.01Å; T1203-P1368 WeakPolarHBondContact O-CD 3.5Å; T1203-P1368 WeakPolarHBondContact O-CG 3.38Å
1204	H	90.7	Very high	91.8	Very high	95 Å²	95	21.4 Å²	21.4	44%	0.44	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.9	170.6	64.6	-94.5	0	0	0	114.1	E1151 V1367 L1370	E1151-H1204 HydrophobicContact CB-CB 4.39Å; E1151-H1204 HydrophobicContact CG-CB 4.41Å; E1151-H1204 IonicContact OE1-CE1 2.71Å; E1151-H1204 IonicContact OE1-CG 2.71Å; E1151-H1204 IonicContact OE1-ND1 2.68Å; E1151-H1204 PolarHBondContact OE1-ND1 2.94Å; E1151-H1204 WeakPolarHBondContact OE2-CB 3.3Å; E1151-H1204 IonicContact OE2-CG 2.8Å; E1151-H1204 PolarHBondContact OE2-N 3.46Å; E1151-H1204 IonicContact OE2-ND1 2.81Å; E1151-H1204 PolarHBondContact OE2-ND1 2.95Å; H1204-V1367 VanDerWaalsContact O-CG1 3.31Å; H1204-V1367 WeakPolarHBondContact O-CG1 3.47Å; H1204-L1370 HydrophobicContact CB-CD1 3.79Å
1205	E	91.2	Very high	90.9	Very high	116 Å²	116	21.6 Å²	21.6	54%	0.542	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-15.9	173.7	-58.3	-172.9	135.8	0	0	113.4	T1203 A1364	T1203-E1205 PolarHBondContact O-N 3.29Å; T1203-E1205 VanDerWaalsContact O-N 3.12Å; E1205-A1364 WeakPolarHBondContact O-CB 3.29Å
1206	G	92.4	Very high	90	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	101	-5.3	-179	0	0	0	0	0	115.7	Y1174 T1203 F1366	Y1174-G1206 WeakPolarHBondContact CE1-O 3.41Å; T1203-G1206 PolarHBondContact O-N 2.81Å; T1203-G1206 PolarHBondContact OG1-N 3.39Å; G1206-F1366 WeakPolarHBondContact CA-O 3.1Å
1207	H	94.9	Very high	89	Confident	15 Å²	15	24.3 Å²	24.3	7%	0.069	12%	0.117	C	C	.	.			trans	-82.4	149.3	178.3	-63	-66.2	0	0	0	112.7	E1177 T1203 L1360 Q1362	E1177-H1207 IonicContact OE1-CE1 2.7Å; E1177-H1207 IonicContact OE1-CG 3.76Å; E1177-H1207 IonicContact OE1-ND1 3.52Å; E1177-H1207 PolarHBondContact OE1-ND1 3.32Å; T1203-H1207 WeakPolarHBondContact CB-O 3.35Å; T1203-H1207 WeakPolarHBondContact CG2-O 3.41Å; T1203-H1207 PolarHBondContact N-O 2.97Å; T1203-H1207 PolarHBondContact OG1-N 3.29Å; T1203-H1207 PolarHBondContact OG1-O 2.8Å; H1207-L1360 HydrophobicContact CB-CD1 4.31Å; H1207-Q1362 PolarHBondContact CE1-O 3.29Å
1208	I	95.7	Very high	87.7	Confident	2 Å²	2	28 Å²	28	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	141.1	-179.5	-64.6	-56.7	0	0	0	113.1	F1129 V1155 Y1174 E1177 L1200 L1201 I1202	F1129-I1208 WeakPolarHBondContact CA-O 3.24Å; F1129-I1208 WeakPolarHBondContact CD1-O 3.4Å; V1155-I1208 HydrophobicContact CG2-CD1 3.49Å; V1155-I1208 VanDerWaalsContact CG2-CD1 3.49Å; Y1174-I1208 HydrophobicContact CD1-CD1 3.7Å; Y1174-I1208 HydrophobicContact CD1-CG1 3.49Å; Y1174-I1208 VanDerWaalsContact CD1-CG1 3.49Å; Y1174-I1208 HydrophobicContact CD2-CD1 3.98Å; Y1174-I1208 HydrophobicContact CD2-CG1 4.41Å; Y1174-I1208 HydrophobicContact CE1-CD1 3.79Å; Y1174-I1208 HydrophobicContact CE1-CG1 3.99Å; Y1174-I1208 HydrophobicContact CE2-CD1 4.06Å; Y1174-I1208 HydrophobicContact CG-CD1 3.79Å; Y1174-I1208 HydrophobicContact CG-CG1 3.72Å; E1177-I1208 HydrophobicContact CB-CB 4.2Å; E1177-I1208 WeakPolarHBondContact OE2-CB 3.46Å; E1177-I1208 WeakPolarHBondContact OE2-CG1 3.47Å; E1177-I1208 PolarHBondContact OE2-N 2.85Å; L1200-I1208 HydrophobicContact CB-CD1 4.47Å; L1200-I1208 HydrophobicContact CB-CG2 4.02Å; L1200-I1208 HydrophobicContact CD1-CG2 4.17Å; L1200-I1208 HydrophobicContact CD2-CG2 3.86Å; L1200-I1208 HydrophobicContact CG-CG2 4.23Å; L1201-I1208 CarbonylContact O-C 3.52Å; L1201-I1208 WeakPolarHBondContact O-CA 3.34Å; I1202-I1208 HydrophobicContact CG1-CD1 3.95Å
1209	K	96	Very high	86	Confident	30 Å²	30	26.3 Å²	26.3	13%	0.13	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.9	162	-68.7	-166.1	174.2	-156.8	0	112.2	P1128 F1129 V1131 E1148 V1150 L1201 T1203	P1128-K1209 WeakPolarHBondContact O-CE 3.37Å; F1129-K1209 WeakPolarHBondContact O-CA 3.47Å; V1131-K1209 HydrophobicContact CG2-CB 3.85Å; E1148-K1209 IonicContact OE1-NZ 3.58Å; E1148-K1209 PolarHBondContact OE1-NZ 2.9Å; E1148-K1209 IonicContact OE2-NZ 3.61Å; E1148-K1209 PolarHBondContact OE2-NZ 3.12Å; V1150-K1209 HydrophobicContact CG2-CD 4.1Å; L1201-K1209 PolarHBondContact N-O 3.44Å; L1201-K1209 PolarHBondContact O-N 3.45Å; T1203-K1209 HydrophobicContact CG2-CD 4.08Å; T1203-K1209 HydrophobicContact CG2-CG 4.01Å
1210	L	95.8	Very high	83.9	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.8	175.7	178.4	59.7	0	0	0	111.7	F1129 V1131 A1181 L1185 L1195 L1200 F1213	F1129-L1210 PolarHBondContact O-N 3.03Å; V1131-L1210 PolarHBondContact N-O 2.81Å; A1181-L1210 HydrophobicContact CB-CB 4.29Å; A1181-L1210 HydrophobicContact CB-CD2 4.22Å; L1185-L1210 HydrophobicContact CD1-CD2 3.63Å; L1195-L1210 HydrophobicContact CD2-CD1 3.7Å; L1195-L1210 HydrophobicContact CD2-CD2 4.08Å; L1200-L1210 HydrophobicContact CD2-CB 4.41Å; L1200-L1210 HydrophobicContact CD2-CD1 3.87Å; L1210-F1213 HydrophobicContact CD2-CZ 4.48Å; L1210-F1213 HydrophobicContact CG-CZ 4.28Å
1211	T	92.4	Very high	81.5	Confident	18 Å²	18	37.6 Å²	37.6	11%	0.11	19%	0.188	C	C	.	.			trans	-139.4	178.5	-177.5	-159.6	0	0	0	0	113.8	H1192 N1199 L1201	H1192-T1211 PolarHBondContact NE2-O 2.88Å; N1199-T1211 PolarHBondContact O-N 3.01Å; L1201-T1211 HydrophobicContact CD1-CG2 3.94Å; L1201-T1211 HydrophobicContact CD2-CG2 4.29Å; L1201-T1211 HydrophobicContact CG-CG2 3.81Å
1212	D	84.2	Confident	79.1	Confident	28 Å²	28	36.8 Å²	36.8	15%	0.15	18%	0.184	C	C	.	.			trans	62	52.9	-178.5	-153	22.3	0	0	0	116	K1099 G1214	K1099-D1212 IonicContact NZ-OD1 2.67Å; K1099-D1212 PolarHBondContact NZ-OD1 2.87Å; D1212-G1214 PolarHBondContact O-N 3.42Å
1213	F	82.4	Confident	76.6	Confident	1 Å²	1	42.1 Å²	42.1	0%	0.004	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-57.3	1	169	-64.8	-81.6	0	0	0	115.2	E1118 I1121 M1122 V1130 L1185 H1192 L1210 L1215 S1216	E1118-F1213 HydrophobicContact CG-CB 4.29Å; I1121-F1213 HydrophobicContact CG2-CB 4.24Å; I1121-F1213 HydrophobicContact CG2-CD1 3.62Å; I1121-F1213 HydrophobicContact CG2-CE1 4.27Å; I1121-F1213 HydrophobicContact CG2-CG 3.98Å; M1122-F1213 HydrophobicContact CE-CD2 4.3Å; M1122-F1213 HydrophobicContact CG-CB 3.94Å; M1122-F1213 HydrophobicContact CG-CD2 3.55Å; M1122-F1213 HydrophobicContact CG-CE2 4.43Å; M1122-F1213 HydrophobicContact CG-CG 3.94Å; M1122-F1213 HydrophobicContact SD-CB 4.33Å; M1122-F1213 HydrophobicContact SD-CD2 3.92Å; V1130-F1213 HydrophobicContact CG1-CE2 3.64Å; V1130-F1213 HydrophobicContact CG1-CZ 3.51Å; L1185-F1213 HydrophobicContact CD1-CE1 3.72Å; L1185-F1213 HydrophobicContact CD1-CZ 4.23Å; L1185-F1213 HydrophobicContact CD2-CE1 3.61Å; L1185-F1213 HydrophobicContact CD2-CZ 4.23Å; L1185-F1213 HydrophobicContact CG-CE1 4.33Å; H1192-F1213 AromaticContact CD2-CD1 3.9Å; H1192-F1213 AromaticContact CD2-CE1 3.76Å; L1210-F1213 HydrophobicContact CD2-CZ 4.48Å; L1210-F1213 HydrophobicContact CG-CZ 4.28Å; F1213-L1215 PolarHBondContact O-N 3.38Å; F1213-S1216 WeakPolarHBondContact CA-OG 3.38Å; F1213-S1216 WeakPolarHBondContact CD1-OG 3.49Å; F1213-S1216 WeakPolarHBondContact O-CB 3.45Å; F1213-S1216 PolarHBondContact O-N 2.91Å
1214	G	70.8	Confident	73.8	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.01	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-49.8	-37.2	172.6	0	0	0	0	0	113	Q1114 D1212	Q1114-G1214 VanDerWaalsContact CD-O 3.3Å; Q1114-G1214 WeakPolarHBondContact CG-O 3.39Å; Q1114-G1214 PolarHBondContact NE2-O 2.93Å; D1212-G1214 PolarHBondContact O-N 3.42Å
1215	L	72	Confident	71.4	Confident	10 Å²	10	41.8 Å²	41.8	5%	0.052	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-95.2	0.5	175.9	-84.2	172.7	0	0	0	115	Y1081 H1192 R1193 D1194 F1213 F1247	Y1081-L1215 WeakPolarHBondContact OH-CG 3.45Å; H1192-L1215 CarbonylContact O-C 3.48Å; R1193-L1215 PolarHBondContact NE-O 2.81Å; R1193-L1215 PolarHBondContact NH2-O 3.41Å; D1194-L1215 HydrophobicContact CB-CB 3.77Å; D1194-L1215 HydrophobicContact CB-CD1 3.69Å; D1194-L1215 HydrophobicContact CB-CG 4.37Å; F1213-L1215 PolarHBondContact O-N 3.38Å; L1215-F1247 HydrophobicContact CD2-CB 4.1Å; L1215-F1247 HydrophobicContact CD2-CD1 4.18Å; L1215-F1247 HydrophobicContact CD2-CG 4.41Å
1216	S	77.1	Confident	68.9	Low	4 Å²	4	39.3 Å²	39.3	3%	0.028	21%	0.213	C	C	.	.			trans	-71	169.5	-179	-61.2	0	0	0	0	113.7	V1191 H1192 R1193 F1213	V1191-S1216 CarbonylContact O-C 3.54Å; V1191-S1216 VanDerWaalsContact O-CA 3.32Å; V1191-S1216 WeakPolarHBondContact O-CA 3.41Å; H1192-S1216 WeakPolarHBondContact CA-OG 3.49Å; H1192-S1216 PolarHBondContact CD2-OG 3.32Å; H1192-S1216 VanDerWaalsContact CD2-OG 3.24Å; H1192-S1216 VanDerWaalsContact O-CA 3.28Å; H1192-S1216 WeakPolarHBondContact O-CA 3.24Å; H1192-S1216 PolarHBondContact O-N 2.82Å; H1192-S1216 PolarHBondContact O-OG 2.93Å; R1193-S1216 PolarHBondContact NH2-O 3.17Å; R1193-S1216 VanDerWaalsContact NH2-O 3.08Å; F1213-S1216 WeakPolarHBondContact CA-OG 3.38Å; F1213-S1216 WeakPolarHBondContact CD1-OG 3.49Å; F1213-S1216 WeakPolarHBondContact O-CB 3.45Å; F1213-S1216 PolarHBondContact O-N 2.91Å
1217	R	72.5	Confident	66.3	Low	82 Å²	82	45.1 Å²	45.1	31%	0.309	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	138.2	172	-127.9	-161	-156.9	134.9	7.4	112.3	I1190 V1191 F1241 D1243	I1190-R1217 WeakPolarHBondContact CA-O 3.19Å; V1191-R1217 PolarHBondContact N-O 3.25Å; V1191-R1217 PolarHBondContact O-N 2.87Å; R1217-F1241 HydrophobicContact CB-CE1 4.15Å; R1217-F1241 HydrophobicContact CB-CE2 4.08Å; R1217-F1241 HydrophobicContact CB-CZ 3.77Å; R1217-F1241 VanDerWaalsContact CD-CD1 3.47Å; R1217-F1241 HydrophobicContact CG-CE1 4.28Å; R1217-F1241 HydrophobicContact CG-CZ 4.39Å; R1217-D1243 IonicContact CZ-OD1 3.85Å; R1217-D1243 VanDerWaalsContact CZ-OD1 3.28Å; R1217-D1243 IonicContact CZ-OD2 2.75Å; R1217-D1243 IonicContact NH1-OD1 3.92Å; R1217-D1243 PolarHBondContact NH1-OD1 3.02Å; R1217-D1243 IonicContact NH1-OD2 3.06Å; R1217-D1243 PolarHBondContact NH1-OD2 2.85Å; R1217-D1243 IonicContact NH2-OD1 2.7Å; R1217-D1243 PolarHBondContact NH2-OD1 3.49Å; R1217-D1243 IonicContact NH2-OD2 2.64Å
1218	I	66.8	Low	63.5	Low	77 Å²	77	50 Å²	50	40%	0.395	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	125.7	168.3	-52.4	176.3	0	0	0	108.6	I1121 F1124 I1190	I1121-I1218 HydrophobicContact CD1-CG1 3.98Å; I1121-I1218 HydrophobicContact CG1-CD1 3.98Å; I1121-I1218 HydrophobicContact CG1-CG1 3.7Å; F1124-I1218 HydrophobicContact CE1-CD1 4.48Å; F1124-I1218 HydrophobicContact CZ-CD1 4.46Å; I1190-I1218 HydrophobicContact CG1-CG1 4.37Å
1219	G	57.1	Low	60.9	Low	20 Å²	20	55.3 Å²	55.3	21%	0.206	29%	0.286	C	S	.	.			trans	-93.9	-149.9	172.9	0	0	0	0	0	112.7	G1189 M1240	G1189-G1219 WeakPolarHBondContact O-CA 3.34Å; G1189-G1219 PolarHBondContact O-N 3.49Å; G1219-M1240 WeakPolarHBondContact CA-SD 3.35Å
1220	L	50.7	Low	58.2	Low	126 Å²	126	62.6 Å²	62.6	66%	0.66	32%	0.318	S	S	*	.	S	Bend	trans	-73.1	130.3	163.8	-68.3	171.8	0	0	0	108.8	N1222 M1240	L1220-N1222 PolarHBondContact O-N 2.82Å; L1220-M1240 PolarHBondContact N-SD 2.85Å; L1220-M1240 VanDerWaalsContact N-SD 3.38Å
1221	M	43.8	Very low	55.7	Low	122 Å²	122	69.7 Å²	69.7	60%	0.601	36%	0.356	S	S	*	.			trans	-78	111.6	-171.6	-173	167.2	66.8	0	0	111	L1223	M1221-L1223 PolarHBondContact O-N 3.27Å
1222	N	46.2	Very low	53.3	Low	9 Å²	9	75 Å²	75	5%	0.048	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-73.6	-27.3	-159.3	-74.3	-50.1	0	0	0	115.6	H1186 N1187 G1189 L1220 A1224 T1225 N1226 K1265	H1186-N1222 PolarHBondContact O-ND2 3Å; N1187-N1222 WeakPolarHBondContact O-CB 3.46Å; G1189-N1222 VanDerWaalsContact CA-ND2 3.35Å; G1189-N1222 WeakPolarHBondContact CA-ND2 3.3Å; L1220-N1222 PolarHBondContact O-N 2.82Å; N1222-A1224 PolarHBondContact O-N 3.41Å; N1222-A1224 VanDerWaalsContact O-N 3.1Å; N1222-T1225 PolarHBondContact O-N 2.8Å; N1222-T1225 VanDerWaalsContact O-N 3.16Å; N1222-T1225 PolarHBondContact O-OG1 3.25Å; N1222-N1226 WeakPolarHBondContact CA-ND2 3.35Å; N1222-N1226 VanDerWaalsContact CB-ND2 3.28Å; N1222-N1226 WeakPolarHBondContact CB-ND2 3.02Å; N1222-N1226 WeakPolarHBondContact O-CB 3.43Å; N1222-N1226 PolarHBondContact O-N 2.86Å; N1222-N1226 PolarHBondContact O-ND2 2.64Å; N1222-N1226 VanDerWaalsContact O-ND2 3.17Å; N1222-N1226 PolarHBondContact OD1-ND2 3.17Å; N1222-K1265 WeakPolarHBondContact ND2-CE 3.42Å; N1222-K1265 PolarHBondContact ND2-NZ 2.88Å
1223	L	41.6	Very low	51.9	Low	113 Å²	113	77.3 Å²	77.3	59%	0.592	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-54.8	-32.6	-176.1	-118.3	79.9	0	0	0	114.3	R937 M1221	R937-L1223 PolarHBondContact NH2-O 3.5Å; M1221-L1223 PolarHBondContact O-N 3.27Å
1224	A	35.2	Very low	50.8	Low	52 Å²	52	80.4 Å²	80.4	43%	0.43	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-79.2	-34.6	-177.8	0	0	0	0	0	113.2	R937 N1222	R937-A1224 PolarHBondContact NH2-O 2.95Å; R937-A1224 VanDerWaalsContact NH2-O 3.13Å; N1222-A1224 PolarHBondContact O-N 3.41Å; N1222-A1224 VanDerWaalsContact O-N 3.1Å
1225	T	40.1	Very low	50.3	Low	52 Å²	52	81.6 Å²	81.6	32%	0.319	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-35.1	-166.9	50.3	0	0	0	0	114.7	N1222 L1227 Y1228 E1229	N1222-T1225 PolarHBondContact O-N 2.8Å; N1222-T1225 VanDerWaalsContact O-N 3.16Å; N1222-T1225 PolarHBondContact O-OG1 3.25Å; T1225-L1227 PolarHBondContact O-N 3.5Å; T1225-L1227 VanDerWaalsContact O-N 3.07Å; T1225-Y1228 PolarHBondContact O-N 2.88Å; T1225-E1229 VanDerWaalsContact CB-OE2 3.3Å; T1225-E1229 WeakPolarHBondContact CB-OE2 3.31Å; T1225-E1229 PolarHBondContact O-N 3.21Å
1226	N	38.6	Very low	49.8	Very low	64 Å²	64	87.3 Å²	87.3	34%	0.342	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.8	-164	-84.4	-123.5	0	0	0	114.4	N1222 Y1228	N1222-N1226 WeakPolarHBondContact CA-ND2 3.35Å; N1222-N1226 VanDerWaalsContact CB-ND2 3.28Å; N1222-N1226 WeakPolarHBondContact CB-ND2 3.02Å; N1222-N1226 WeakPolarHBondContact O-CB 3.43Å; N1222-N1226 PolarHBondContact O-N 2.86Å; N1222-N1226 PolarHBondContact O-ND2 2.64Å; N1222-N1226 VanDerWaalsContact O-ND2 3.17Å; N1222-N1226 PolarHBondContact OD1-ND2 3.17Å; N1226-Y1228 PolarHBondContact O-N 3.43Å
1227	L	39.1	Very low	49.2	Very low	122 Å²	122	90.1 Å²	90.1	64%	0.639	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-8.7	170	-79.5	160.3	0	0	0	113.7	T1225	T1225-L1227 PolarHBondContact O-N 3.5Å; T1225-L1227 VanDerWaalsContact O-N 3.07Å
1228	Y	35	Very low	48.9	Very low	118 Å²	118	86.4 Å²	86.4	46%	0.463	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.8	-1.7	-179.5	-78.4	-50.3	0	0	0	117.3	K843 T1225 N1226	K843-Y1228 HydrophobicContact CB-CD1 4.48Å; K843-Y1228 HydrophobicContact CB-CD2 3.79Å; K843-Y1228 HydrophobicContact CB-CE1 4.09Å; K843-Y1228 HydrophobicContact CB-CE2 3.31Å; K843-Y1228 HydrophobicContact CB-CG 4.35Å; K843-Y1228 VanDerWaalsContact CB-CZ 3.48Å; K843-Y1228 HydrophobicContact CD-CD1 3.32Å; K843-Y1228 HydrophobicContact CD-CD2 3.79Å; K843-Y1228 HydrophobicContact CD-CE1 3.52Å; K843-Y1228 HydrophobicContact CD-CE2 3.96Å; K843-Y1228 HydrophobicContact CD-CG 3.46Å; K843-Y1228 VanDerWaalsContact CD-CG 3.46Å; K843-Y1228 HydrophobicContact CG-CD2 4.42Å; K843-Y1228 HydrophobicContact CG-CE1 4.42Å; K843-Y1228 HydrophobicContact CG-CE2 4.29Å; T1225-Y1228 PolarHBondContact O-N 2.88Å; N1226-Y1228 PolarHBondContact O-N 3.43Å
1229	E	40.9	Very low	49	Very low	112 Å²	112	83.7 Å²	83.7	52%	0.523	43%	0.428	S	S	.	.			trans	-117.8	18.6	-179.1	-67.7	-171.4	121.4	0	0	114.3	T1225 N1231 L1232	T1225-E1229 VanDerWaalsContact CB-OE2 3.3Å; T1225-E1229 WeakPolarHBondContact CB-OE2 3.31Å; T1225-E1229 PolarHBondContact O-N 3.21Å; E1229-N1231 PolarHBondContact O-N 2.82Å; E1229-L1232 PolarHBondContact O-N 3.32Å; E1229-L1232 VanDerWaalsContact O-N 3.1Å
1230	K	40.3	Very low	49.3	Very low	183 Å²	183	85 Å²	85	80%	0.796	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	9.1	-171.7	-139.3	-174.3	-175.9	-171.4	0	117.6
1231	N	42.4	Very low	50.3	Low	149 Å²	149	79.8 Å²	79.8	80%	0.797	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.6	4.7	177.4	-91.3	-45.2	0	0	0	114.6	E1229	E1229-N1231 PolarHBondContact O-N 2.82Å
1232	L	42.9	Very low	51.6	Low	131 Å²	131	79.3 Å²	79.3	69%	0.686	39%	0.393	S	S	*	.	S	Bend	trans	-104.8	104.9	-172.9	-80.5	166.6	0	0	0	112.6	E1229	E1229-L1232 PolarHBondContact O-N 3.32Å; E1229-L1232 VanDerWaalsContact O-N 3.1Å
1233	D	55	Low	52.6	Low	76 Å²	76	80.3 Å²	80.3	41%	0.406	40%	0.398	S	S	.	.			trans	63.5	58.5	177.7	-69.5	-45.3	0	0	0	116.3	E1235 K1236	D1233-E1235 PolarHBondContact O-N 3.04Å; D1233-K1236 HydrophobicContact CB-CB 4.11Å; D1233-K1236 HydrophobicContact CB-CD 3.58Å; D1233-K1236 HydrophobicContact CB-CG 3.79Å; D1233-K1236 WeakPolarHBondContact O-CB 3.48Å; D1233-K1236 PolarHBondContact O-N 2.97Å; D1233-K1236 WeakPolarHBondContact OD2-CE 3.29Å; D1233-K1236 IonicContact OD2-NZ 3.97Å; D1233-K1236 PolarHBondContact OD2-NZ 3.12Å
1234	L	59.3	Low	53.7	Low	65 Å²	65	83.9 Å²	83.9	34%	0.34	41%	0.409	S	S	.	.	H	α-helix	trans	-50.2	-30.2	166.6	-155.4	75.8	0	0	0	113.1	K1236 D1237 C1238 L1330 T1335 I1336	L1234-K1236 VanDerWaalsContact C-N 3.32Å; L1234-K1236 PolarHBondContact O-N 3.39Å; L1234-D1237 PolarHBondContact O-N 3.09Å; L1234-C1238 WeakPolarHBondContact O-CB 3.44Å; L1234-C1238 PolarHBondContact O-N 3.2Å; L1234-C1238 PolarHBondContact O-SG 3.35Å; L1234-L1330 HydrophobicContact CD2-CD2 4.33Å; L1234-T1335 HydrophobicContact CD2-CG2 4.18Å; L1234-T1335 HydrophobicContact CG-CG2 4.41Å; L1234-I1336 HydrophobicContact CD2-CG1 3.67Å
1235	E	60.5	Low	55.3	Low	27 Å²	27	85.5 Å²	85.5	13%	0.126	41%	0.408	C	S	.	.	H	α-helix	trans	-55.9	-44.4	169.8	170.8	176.1	-136.5	0	0	112.2	D1233 D1237 C1238 K1239 H2522 S2523 H2524	D1233-E1235 PolarHBondContact O-N 3.04Å; E1235-D1237 VanDerWaalsContact C-N 3.35Å; E1235-C1238 CarbonylContact O-C 3.59Å; E1235-C1238 PolarHBondContact O-N 2.78Å; E1235-K1239 HydrophobicContact CG-CD 3.75Å; E1235-K1239 HydrophobicContact CG-CG 4.37Å; E1235-K1239 VanDerWaalsContact O-CB 3.31Å; E1235-K1239 WeakPolarHBondContact O-CB 3.26Å; E1235-K1239 WeakPolarHBondContact O-CG 3.42Å; E1235-K1239 PolarHBondContact O-N 2.91Å; E1235-K1239 IonicContact OE1-NZ 2.68Å; E1235-K1239 PolarHBondContact OE1-NZ 2.98Å; E1235-H2522 IonicContact OE1-CE1 3.6Å; E1235-H2522 IonicContact OE1-CG 2.68Å; E1235-H2522 IonicContact OE1-ND1 2.69Å; E1235-H2522 PolarHBondContact OE1-ND1 2.81Å; E1235-H2522 WeakPolarHBondContact OE2-CA 3.2Å; E1235-H2522 PolarHBondContact OE2-N 3.4Å; E1235-H2522 IonicContact OE2-ND1 2.79Å; E1235-S2523 PolarHBondContact OE1-N 2.8Å; E1235-S2523 PolarHBondContact OE2-N 2.99Å; E1235-H2524 IonicContact OE1-CD2 2.87Å
1236	K	61.2	Low	56.8	Low	130 Å²	130	84.3 Å²	84.3	57%	0.565	40%	0.4	S	S	*	.	H	α-helix	trans	-66.2	-41.4	-173.5	-74	176.1	-173.1	159.8	0	110.3	D1233 L1234 K1239 M1240	D1233-K1236 HydrophobicContact CB-CB 4.11Å; D1233-K1236 HydrophobicContact CB-CD 3.58Å; D1233-K1236 HydrophobicContact CB-CG 3.79Å; D1233-K1236 WeakPolarHBondContact O-CB 3.48Å; D1233-K1236 PolarHBondContact O-N 2.97Å; D1233-K1236 WeakPolarHBondContact OD2-CE 3.29Å; D1233-K1236 IonicContact OD2-NZ 3.97Å; D1233-K1236 PolarHBondContact OD2-NZ 3.12Å; L1234-K1236 VanDerWaalsContact C-N 3.32Å; L1234-K1236 PolarHBondContact O-N 3.39Å; K1236-K1239 CarbonylContact O-C 2.91Å; K1236-K1239 PolarHBondContact O-N 3.03Å; K1236-M1240 WeakPolarHBondContact O-CA 3.46Å; K1236-M1240 PolarHBondContact O-N 3.36Å
1237	D	63.5	Low	58.3	Low	62 Å²	62	83.3 Å²	83.3	33%	0.332	39%	0.393	S	S	.	.	H	α-helix	trans	-66.9	-44.3	176	-74.4	-5.3	0	0	0	111.3	L1234 E1235 K1239 M1240 G1264	L1234-D1237 PolarHBondContact O-N 3.09Å; E1235-D1237 VanDerWaalsContact C-N 3.35Å; D1237-K1239 PolarHBondContact O-N 3.17Å; D1237-M1240 WeakPolarHBondContact O-CB 3.47Å; D1237-M1240 PolarHBondContact O-N 3.03Å; D1237-G1264 WeakPolarHBondContact O-CA 3.48Å
1238	C	66.7	Low	60.2	Low	5 Å²	5	77.9 Å²	77.9	3%	0.034	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-7.6	171.2	-64.3	0	0	0	0	113.8	L1234 E1235 Y1263 G1264 P1266 L1330 T1335	L1234-C1238 WeakPolarHBondContact O-CB 3.44Å; L1234-C1238 PolarHBondContact O-N 3.2Å; L1234-C1238 PolarHBondContact O-SG 3.35Å; E1235-C1238 CarbonylContact O-C 3.59Å; E1235-C1238 PolarHBondContact O-N 2.78Å; C1238-Y1263 CarbonylContact O-C 3.38Å; C1238-Y1263 WeakPolarHBondContact O-CA 3.39Å; C1238-G1264 PolarHBondContact O-N 3.47Å; C1238-P1266 HydrophobicContact CB-CG 4.45Å; C1238-L1330 HydrophobicContact CB-CD2 4.21Å; C1238-T1335 WeakPolarHBondContact SG-CG2 3.18Å
1239	K	69.4	Low	62.6	Low	19 Å²	19	72.8 Å²	72.8	8%	0.083	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134	24.8	-179.3	-60.4	-176.8	-175.1	-179.6	0	113.5	E1235 K1236 D1237 F1241 Q1261 Y1263 H2522 H2524	E1235-K1239 HydrophobicContact CG-CD 3.75Å; E1235-K1239 HydrophobicContact CG-CG 4.37Å; E1235-K1239 VanDerWaalsContact O-CB 3.31Å; E1235-K1239 WeakPolarHBondContact O-CB 3.26Å; E1235-K1239 WeakPolarHBondContact O-CG 3.42Å; E1235-K1239 PolarHBondContact O-N 2.91Å; E1235-K1239 IonicContact OE1-NZ 2.68Å; E1235-K1239 PolarHBondContact OE1-NZ 2.98Å; K1236-K1239 CarbonylContact O-C 2.91Å; K1236-K1239 PolarHBondContact O-N 3.03Å; D1237-K1239 PolarHBondContact O-N 3.17Å; K1239-F1241 PolarHBondContact O-N 3.45Å; K1239-F1241 VanDerWaalsContact O-N 3.17Å; K1239-Q1261 WeakPolarHBondContact CD-O 3.29Å; K1239-Y1263 CarbonylContact C-O 3.53Å; K1239-H2522 PolarHBondContact NZ-CE1 3.24Å; K1239-H2522 PolarHBondContact NZ-ND1 2.81Å; K1239-H2524 WeakPolarHBondContact CD-NE2 3.35Å; K1239-H2524 PolarHBondContact NZ-CD2 3.18Å; K1239-H2524 VanDerWaalsContact NZ-CD2 3.29Å; K1239-H2524 PolarHBondContact NZ-NE2 3.44Å
1240	M	64.1	Low	65	Low	48 Å²	48	68.1 Å²	68.1	24%	0.236	33%	0.327	C	S	.	.	S	Bend	trans	-55.4	-32	-176	-179.5	161.4	60	0	0	113	V1191 G1219 L1220 K1236 D1237 Y1263	V1191-M1240 HydrophobicContact CG2-CE 3.94Å; G1219-M1240 WeakPolarHBondContact CA-SD 3.35Å; L1220-M1240 PolarHBondContact N-SD 2.85Å; L1220-M1240 VanDerWaalsContact N-SD 3.38Å; K1236-M1240 WeakPolarHBondContact O-CA 3.46Å; K1236-M1240 PolarHBondContact O-N 3.36Å; D1237-M1240 WeakPolarHBondContact O-CB 3.47Å; D1237-M1240 PolarHBondContact O-N 3.03Å; M1240-Y1263 PolarHBondContact N-O 3Å; M1240-Y1263 VanDerWaalsContact N-O 3.11Å
1241	F	71.7	Confident	67.5	Low	17 Å²	17	61.8 Å²	61.8	8%	0.075	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-115.2	143.4	176.9	-53.5	-53.7	0	0	0	112.1	V1191 R1217 K1239 G1262 Y1263	V1191-F1241 HydrophobicContact CB-CE2 3.99Å; V1191-F1241 HydrophobicContact CG2-CE2 3.79Å; R1217-F1241 HydrophobicContact CB-CE1 4.15Å; R1217-F1241 HydrophobicContact CB-CE2 4.08Å; R1217-F1241 HydrophobicContact CB-CZ 3.77Å; R1217-F1241 VanDerWaalsContact CD-CD1 3.47Å; R1217-F1241 HydrophobicContact CG-CE1 4.28Å; R1217-F1241 HydrophobicContact CG-CZ 4.39Å; K1239-F1241 PolarHBondContact O-N 3.45Å; K1239-F1241 VanDerWaalsContact O-N 3.17Å; F1241-G1262 CarbonylContact O-C 3.47Å; F1241-G1262 WeakPolarHBondContact O-CA 3.45Å; F1241-Y1263 HydrophobicContact CB-CD2 4.37Å; F1241-Y1263 HydrophobicContact CB-CE1 4.04Å; F1241-Y1263 HydrophobicContact CB-CE2 3.89Å; F1241-Y1263 HydrophobicContact CD2-CD2 4.23Å; F1241-Y1263 AromaticContact CD2-CE2 3.74Å; F1241-Y1263 HydrophobicContact CD2-CE2 3.74Å; F1241-Y1263 HydrophobicContact CG-CE2 4.27Å; F1241-Y1263 PolarHBondContact N-O 3.41Å; F1241-Y1263 PolarHBondContact O-N 3.46Å
1242	R	70	Confident	70	Confident	112 Å²	112	55.3 Å²	55.3	42%	0.423	27%	0.265	S	S	.	.			trans	-138.9	76.3	175.6	-72.3	-175.4	-178.2	140	9.3	111
1243	D	67.4	Low	72.4	Confident	29 Å²	29	49.6 Å²	49.6	16%	0.155	23%	0.234	C	C	.	.			trans	-73.3	154.6	-179.1	-73.8	-49.1	0	0	0	114.1	R1193 R1217 Q1245 F1247 Y1263	R1193-D1243 IonicContact NH1-OD2 2.94Å; R1193-D1243 PolarHBondContact NH1-OD2 3.27Å; R1193-D1243 VanDerWaalsContact NH1-OD2 3.15Å; R1217-D1243 IonicContact CZ-OD1 3.85Å; R1217-D1243 VanDerWaalsContact CZ-OD1 3.28Å; R1217-D1243 IonicContact CZ-OD2 2.75Å; R1217-D1243 IonicContact NH1-OD1 3.92Å; R1217-D1243 PolarHBondContact NH1-OD1 3.02Å; R1217-D1243 IonicContact NH1-OD2 3.06Å; R1217-D1243 PolarHBondContact NH1-OD2 2.85Å; R1217-D1243 IonicContact NH2-OD1 2.7Å; R1217-D1243 PolarHBondContact NH2-OD1 3.49Å; R1217-D1243 IonicContact NH2-OD2 2.64Å; D1243-Q1245 WeakPolarHBondContact CB-O 3.3Å; D1243-F1247 HydrophobicContact CB-CD2 4.08Å; D1243-F1247 HydrophobicContact CB-CE2 3.92Å; D1243-Y1263 PolarHBondContact OD2-OH 3.34Å
1244	K	64.1	Low	74.3	Confident	189 Å²	189	46 Å²	46	82%	0.822	22%	0.215	S	C	*	.	S	Bend	trans	-83.4	-18.6	176.2	-64.9	-177.9	179	179.8	0	112.9	R1260	K1244-R1260 PolarHBondContact O-NH1 2.68Å
1245	Q	68.5	Low	76	Confident	86 Å²	86	43.1 Å²	43.1	40%	0.402	20%	0.2	S	C	.	.	S	Bend	trans	-121.6	153.9	177.3	-74.8	169.9	-40.4	0	0	108.9	T642 D1243 F1247	T642-Q1245 HydrophobicContact CG2-CB 3.65Å; T642-Q1245 HydrophobicContact CG2-CG 4.02Å; D1243-Q1245 WeakPolarHBondContact CB-O 3.3Å; Q1245-F1247 HydrophobicContact CB-CE1 4.27Å; Q1245-F1247 HydrophobicContact CB-CE2 3.96Å; Q1245-F1247 HydrophobicContact CB-CZ 3.81Å; Q1245-F1247 WeakPolarHBondContact O-CD2 3.29Å
1246	V	71.3	Confident	77.5	Confident	27 Å²	27	42 Å²	42	16%	0.164	20%	0.195	C	C	.	.			trans	-81.9	133.9	168.1	173.8	0	0	0	0	106.9	T642 I1253 V1257 F1295	T642-V1246 WeakPolarHBondContact CG2-O 3.48Å; V1246-I1253 HydrophobicContact CG1-CD1 3.6Å; V1246-I1253 HydrophobicContact CG1-CG2 4.13Å; V1246-V1257 HydrophobicContact CG1-CG1 4.3Å; V1246-F1295 HydrophobicContact CG1-CZ 4.32Å
1247	F	72	Confident	79	Confident	43 Å²	43	36.4 Å²	36.4	19%	0.189	17%	0.172	C	C	.	.			trans	-129.5	156.9	-177.6	-66.4	-69.9	0	0	0	109.2	T642 L1215 D1243 Q1245	T642-F1247 HydrophobicContact CG2-CD1 3.91Å; T642-F1247 HydrophobicContact CG2-CE1 3.67Å; T642-F1247 HydrophobicContact CG2-CZ 4.44Å; L1215-F1247 HydrophobicContact CD2-CB 4.1Å; L1215-F1247 HydrophobicContact CD2-CD1 4.18Å; L1215-F1247 HydrophobicContact CD2-CG 4.41Å; D1243-F1247 HydrophobicContact CB-CD2 4.08Å; D1243-F1247 HydrophobicContact CB-CE2 3.92Å; Q1245-F1247 HydrophobicContact CB-CE1 4.27Å; Q1245-F1247 HydrophobicContact CB-CE2 3.96Å; Q1245-F1247 HydrophobicContact CB-CZ 3.81Å; Q1245-F1247 WeakPolarHBondContact O-CD2 3.29Å
1248	G	78.6	Confident	80.3	Confident	7 Å²	7	34.7 Å²	34.7	7%	0.072	16%	0.163	C	C	.	.	S	Bend	trans	107.6	168.5	-173	0	0	0	0	0	112.6
1249	T	85.3	Confident	81.3	Confident	11 Å²	11	38.5 Å²	38.5	7%	0.067	18%	0.182	C	C	.	.			trans	-77.7	121	174.4	-58.1	0	0	0	0	109.4	D1194 K1196 E1251 Y1252 I1253	D1194-T1249 WeakPolarHBondContact OD1-CB 3.28Å; D1194-T1249 PolarHBondContact OD1-N 3.19Å; D1194-T1249 PolarHBondContact OD1-OG1 3.06Å; K1196-T1249 HydrophobicContact CD-CG2 4.13Å; K1196-T1249 VanDerWaalsContact CD-OG1 3.26Å; K1196-T1249 WeakPolarHBondContact CD-OG1 3.32Å; K1196-T1249 PolarHBondContact NZ-OG1 3.2Å; T1249-E1251 VanDerWaalsContact C-N 3.28Å; T1249-E1251 WeakPolarHBondContact CG2-OE2 3.31Å; T1249-E1251 PolarHBondContact O-N 3.29Å; T1249-Y1252 HydrophobicContact CG2-CD2 3.83Å; T1249-Y1252 HydrophobicContact CG2-CE2 4Å; T1249-Y1252 PolarHBondContact O-N 2.98Å; T1249-I1253 WeakPolarHBondContact O-CG1 3.45Å
1250	P	90	Very high	82	Confident	14 Å²	14	43.2 Å²	43.2	9%	0.091	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-47.7	-39.9	-161.3	-32.7	36.5	0	0	0	117.2	Y1252 I1253 L1294 F1295 I1298	P1250-Y1252 PolarHBondContact O-N 2.93Å; P1250-I1253 PolarHBondContact O-N 2.79Å; P1250-L1294 HydrophobicContact CB-CD2 3.78Å; P1250-F1295 HydrophobicContact CB-CE1 4.13Å; P1250-I1298 WeakPolarHBondContact O-CD1 3.17Å
1251	E	93.1	Very high	82.9	Confident	50 Å²	50	44.7 Å²	44.7	23%	0.234	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-68.4	-21.5	-176.1	-57.7	87.1	158.1	0	0	113	T1249 V1284 L1294	T1249-E1251 VanDerWaalsContact C-N 3.28Å; T1249-E1251 WeakPolarHBondContact CG2-OE2 3.31Å; T1249-E1251 PolarHBondContact O-N 3.29Å; E1251-V1284 HydrophobicContact CB-CG1 4.35Å; E1251-V1284 HydrophobicContact CB-CG2 4.4Å; E1251-L1294 HydrophobicContact CG-CD2 4.06Å
1252	Y	95.7	Very high	83.2	Confident	14 Å²	14	44 Å²	44	6%	0.055	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-107.7	0.8	-175	-55.4	-98	0	0	0	113.2	L1195 K1196 P1197 T1249 P1250 S1271 I1274 M1275 E1278	L1195-Y1252 WeakPolarHBondContact O-CD1 3.22Å; K1196-Y1252 HydrophobicContact CB-CD1 4.13Å; K1196-Y1252 HydrophobicContact CB-CD2 4.07Å; K1196-Y1252 HydrophobicContact CB-CE1 3.86Å; K1196-Y1252 HydrophobicContact CB-CE2 3.81Å; K1196-Y1252 HydrophobicContact CB-CG 4.24Å; P1197-Y1252 WeakPolarHBondContact CD-OH 3.49Å; T1249-Y1252 HydrophobicContact CG2-CD2 3.83Å; T1249-Y1252 HydrophobicContact CG2-CE2 4Å; T1249-Y1252 PolarHBondContact O-N 2.98Å; P1250-Y1252 PolarHBondContact O-N 2.93Å; Y1252-S1271 PolarHBondContact O-OG 2.91Å; Y1252-I1274 HydrophobicContact CD1-CB 4Å; Y1252-I1274 HydrophobicContact CD1-CG2 3.47Å; Y1252-I1274 VanDerWaalsContact CD1-CG2 3.47Å; Y1252-I1274 HydrophobicContact CE1-CG2 3.71Å; Y1252-I1274 HydrophobicContact CG-CG2 4.18Å; Y1252-M1275 HydrophobicContact CD1-CG 4.07Å; Y1252-M1275 HydrophobicContact CE1-CG 3.82Å; Y1252-E1278 PolarHBondContact OH-OE2 2.78Å
1253	I	93.4	Very high	83.9	Confident	10 Å²	10	39.2 Å²	39.2	5%	0.051	19%	0.186	C	C	.	.			trans	-76.7	128.4	-173	-55.4	-172.2	0	0	0	110.7	V1246 T1249 P1250 V1257 I1258 W1270 F1295	V1246-I1253 HydrophobicContact CG1-CD1 3.6Å; V1246-I1253 HydrophobicContact CG1-CG2 4.13Å; T1249-I1253 WeakPolarHBondContact O-CG1 3.45Å; P1250-I1253 PolarHBondContact O-N 2.79Å; I1253-V1257 HydrophobicContact CG2-CB 3.71Å; I1253-V1257 HydrophobicContact CG2-CG1 3.91Å; I1253-V1257 HydrophobicContact CG2-CG2 4.4Å; I1253-I1258 HydrophobicContact CB-CG1 4.41Å; I1253-I1258 HydrophobicContact CG2-CD1 4.39Å; I1253-I1258 HydrophobicContact CG2-CG1 3.79Å; I1253-W1270 PolarHBondContact O-NE1 3.04Å; I1253-F1295 HydrophobicContact CD1-CE1 4.26Å; I1253-F1295 HydrophobicContact CD1-CZ 4.27Å
1254	A	95.1	Very high	85	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.008	18%	0.178	C	C	.	.			trans	-70.4	146	178.8	0	0	0	0	0	113.3	E1256 V1257 I1258 V1267 W1270	A1254-E1256 VanDerWaalsContact C-N 3.28Å; A1254-E1256 WeakPolarHBondContact CB-OE1 3.27Å; A1254-E1256 WeakPolarHBondContact CB-OE2 3.47Å; A1254-E1256 PolarHBondContact O-N 2.97Å; A1254-E1256 VanDerWaalsContact O-N 3.16Å; A1254-V1257 HydrophobicContact CB-CG2 4.28Å; A1254-V1257 WeakPolarHBondContact O-CB 3.24Å; A1254-V1257 PolarHBondContact O-N 2.97Å; A1254-I1258 PolarHBondContact O-N 3.2Å; A1254-V1267 HydrophobicContact CB-CB 4.09Å; A1254-V1267 HydrophobicContact CB-CG1 4.05Å; A1254-W1270 HydrophobicContact CB-CB 3.76Å; A1254-W1270 HydrophobicContact CB-CD2 4.23Å; A1254-W1270 HydrophobicContact CB-CG 3.64Å
1255	P	94.4	Very high	86.3	Confident	4 Å²	4	31 Å²	31	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-53.3	-38.7	-176.5	-28.1	34.2	0	0	0	114.5	V1257 I1258 L1259 W1270 I1298 V1299 R1327	P1255-V1257 PolarHBondContact O-N 2.75Å; P1255-I1258 PolarHBondContact O-N 3.24Å; P1255-L1259 VanDerWaalsContact O-CB 3.29Å; P1255-L1259 WeakPolarHBondContact O-CB 3.31Å; P1255-L1259 VanDerWaalsContact O-CG 3.26Å; P1255-L1259 WeakPolarHBondContact O-CG 3.48Å; P1255-L1259 PolarHBondContact O-N 2.72Å; P1255-W1270 HydrophobicContact CG-CE3 4.2Å; P1255-W1270 HydrophobicContact CG-CH2 3.59Å; P1255-W1270 HydrophobicContact CG-CZ2 3.98Å; P1255-W1270 HydrophobicContact CG-CZ3 3.7Å; P1255-I1298 HydrophobicContact CG-CG2 3.97Å; P1255-V1299 HydrophobicContact CB-CG2 4.38Å; P1255-R1327 HydrophobicContact CG-CG 4.32Å
1256	E	93.1	Very high	87.5	Confident	3 Å²	3	27 Å²	27	1%	0.014	13%	0.13	C	C	.	.	H	α-helix	trans	-65.9	-24.2	179.9	65.9	-86.5	-162.3	0	0	113.8	A1254 R1260 Q1261 V1267 P1329 R1332	A1254-E1256 VanDerWaalsContact C-N 3.28Å; A1254-E1256 WeakPolarHBondContact CB-OE1 3.27Å; A1254-E1256 WeakPolarHBondContact CB-OE2 3.47Å; A1254-E1256 PolarHBondContact O-N 2.97Å; A1254-E1256 VanDerWaalsContact O-N 3.16Å; E1256-R1260 PolarHBondContact O-N 2.79Å; E1256-R1260 VanDerWaalsContact O-N 3.11Å; E1256-Q1261 HydrophobicContact CB-CB 4.32Å; E1256-Q1261 PolarHBondContact O-N 2.78Å; E1256-V1267 HydrophobicContact CG-CG1 4.47Å; E1256-V1267 WeakPolarHBondContact OE1-CG1 3.33Å; E1256-P1329 HydrophobicContact CB-CG 4.27Å; E1256-P1329 HydrophobicContact CG-CB 4.46Å; E1256-P1329 HydrophobicContact CG-CG 4.29Å; E1256-R1332 IonicContact OE1-CZ 3.99Å; E1256-R1332 IonicContact OE1-NH1 3.41Å; E1256-R1332 PolarHBondContact OE1-NH1 3.26Å; E1256-R1332 IonicContact OE1-NH2 3.27Å; E1256-R1332 IonicContact OE2-CZ 3.66Å; E1256-R1332 IonicContact OE2-NH1 3.46Å; E1256-R1332 PolarHBondContact OE2-NH1 2.82Å; E1256-R1332 IonicContact OE2-NH2 2.78Å; E1256-R1332 PolarHBondContact OE2-NH2 3.01Å
1257	V	91.4	Very high	88.6	Confident	14 Å²	14	26 Å²	26	9%	0.085	12%	0.124	C	C	.	.	H	α-helix	trans	-76.2	-47.6	174.9	-172.5	0	0	0	0	109.9	V1246 I1253 A1254 P1255 R1260 Y1263 V1267	V1246-V1257 HydrophobicContact CG1-CG1 4.3Å; I1253-V1257 HydrophobicContact CG2-CB 3.71Å; I1253-V1257 HydrophobicContact CG2-CG1 3.91Å; I1253-V1257 HydrophobicContact CG2-CG2 4.4Å; A1254-V1257 HydrophobicContact CB-CG2 4.28Å; A1254-V1257 WeakPolarHBondContact O-CB 3.24Å; A1254-V1257 PolarHBondContact O-N 2.97Å; P1255-V1257 PolarHBondContact O-N 2.75Å; V1257-R1260 WeakPolarHBondContact O-CA 3.19Å; V1257-R1260 PolarHBondContact O-N 3.15Å; V1257-Y1263 HydrophobicContact CB-CD1 4.49Å; V1257-Y1263 HydrophobicContact CG1-CD1 4.36Å; V1257-Y1263 HydrophobicContact CG1-CE1 4.37Å; V1257-Y1263 HydrophobicContact CG2-CD1 3.92Å; V1257-Y1263 HydrophobicContact CG2-CD2 4.36Å; V1257-Y1263 HydrophobicContact CG2-CG 3.83Å; V1257-V1267 HydrophobicContact CG2-CB 4.47Å; V1257-V1267 HydrophobicContact CG2-CG1 3.62Å
1258	I	90.1	Very high	89.7	Confident	25 Å²	25	24 Å²	24	13%	0.128	12%	0.115	C	C	.	.	H	α-helix	trans	-58.3	-50.4	175.7	-61.5	171.8	0	0	0	110	I1253 A1254 P1255 R1260 F1295 I1298 V1299	I1253-I1258 HydrophobicContact CB-CG1 4.41Å; I1253-I1258 HydrophobicContact CG2-CD1 4.39Å; I1253-I1258 HydrophobicContact CG2-CG1 3.79Å; A1254-I1258 PolarHBondContact O-N 3.2Å; P1255-I1258 PolarHBondContact O-N 3.24Å; I1258-R1260 PolarHBondContact O-N 2.62Å; I1258-F1295 HydrophobicContact CD1-CB 4.11Å; I1258-F1295 HydrophobicContact CD1-CD1 3.63Å; I1258-F1295 HydrophobicContact CD1-CE1 4.21Å; I1258-F1295 HydrophobicContact CD1-CG 3.91Å; I1258-F1295 HydrophobicContact CG1-CD1 4.13Å; I1258-F1295 HydrophobicContact CG1-CE1 4.36Å; I1258-F1295 HydrophobicContact CG1-CG 4.23Å; I1258-F1295 HydrophobicContact CG2-CB 3.95Å; I1258-F1295 HydrophobicContact CG2-CD2 4.09Å; I1258-F1295 HydrophobicContact CG2-CG 4.04Å; I1258-I1298 HydrophobicContact CD1-CB 4.03Å; I1258-I1298 HydrophobicContact CD1-CD1 4.19Å; I1258-I1298 HydrophobicContact CD1-CG2 3.55Å; I1258-V1299 HydrophobicContact CG2-CG2 4.22Å
1259	L	88.9	Confident	90.6	Very high	86 Å²	86	23.7 Å²	23.7	45%	0.45	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-0.7	177.8	-62.9	173.5	0	0	0	113.3	P1255 Q1261 V1299	P1255-L1259 VanDerWaalsContact O-CB 3.29Å; P1255-L1259 WeakPolarHBondContact O-CB 3.31Å; P1255-L1259 VanDerWaalsContact O-CG 3.26Å; P1255-L1259 WeakPolarHBondContact O-CG 3.48Å; P1255-L1259 PolarHBondContact O-N 2.72Å; L1259-Q1261 HydrophobicContact CB-CG 3.85Å; L1259-Q1261 PolarHBondContact O-N 2.78Å; L1259-Q1261 VanDerWaalsContact O-N 3.13Å; L1259-V1299 HydrophobicContact CD1-CG1 4.21Å; L1259-V1299 HydrophobicContact CD1-CG2 4.35Å; L1259-V1299 HydrophobicContact CD2-CG1 4.3Å; L1259-V1299 HydrophobicContact CD2-CG2 4.27Å; L1259-V1299 HydrophobicContact CG-CG2 4.13Å
1260	R	84.3	Confident	91.2	Very high	118 Å²	118	23.2 Å²	23.2	45%	0.445	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	35.7	175.9	-61	155	176.7	-87.9	4.4	112.8	K1244 E1256 V1257 I1258 G1262 R2525	K1244-R1260 PolarHBondContact O-NH1 2.68Å; E1256-R1260 PolarHBondContact O-N 2.79Å; E1256-R1260 VanDerWaalsContact O-N 3.11Å; V1257-R1260 WeakPolarHBondContact O-CA 3.19Å; V1257-R1260 PolarHBondContact O-N 3.15Å; I1258-R1260 PolarHBondContact O-N 2.62Å; R1260-G1262 PolarHBondContact O-N 2.98Å; R1260-R2525 VanDerWaalsContact O-CZ 3.28Å; R1260-R2525 PolarHBondContact O-NH1 3.4Å; R1260-R2525 PolarHBondContact O-NH2 2.8Å
1261	Q	82.1	Confident	91.5	Very high	78 Å²	78	22.8 Å²	22.8	36%	0.364	11%	0.107	S	C	.	.			trans	-77.9	2.3	177.4	-54.6	-165.1	30	0	0	112.2	K1239 E1256 L1259 H2524	K1239-Q1261 WeakPolarHBondContact CD-O 3.29Å; E1256-Q1261 HydrophobicContact CB-CB 4.32Å; E1256-Q1261 PolarHBondContact O-N 2.78Å; L1259-Q1261 HydrophobicContact CB-CG 3.85Å; L1259-Q1261 PolarHBondContact O-N 2.78Å; L1259-Q1261 VanDerWaalsContact O-N 3.13Å; Q1261-H2524 PolarHBondContact O-CE1 3.32Å; Q1261-H2524 PolarHBondContact O-NE2 3.21Å
1262	G	77.6	Confident	91.8	Very high	3 Å²	3	20.5 Å²	20.5	3%	0.031	10%	0.096	C	C	.	.			trans	70.8	159.5	-164	0	0	0	0	0	110.3	F1241 R1260	F1241-G1262 CarbonylContact O-C 3.47Å; F1241-G1262 WeakPolarHBondContact O-CA 3.45Å; R1260-G1262 PolarHBondContact O-N 2.98Å
1263	Y	86.3	Confident	91.9	Very high	12 Å²	12	19.8 Å²	19.8	5%	0.047	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-156.8	167.7	-168.1	66.1	-91.7	0	0	0	110.4	R1193 C1238 K1239 M1240 F1241 D1243 V1257 V1267	R1193-Y1263 WeakPolarHBondContact CD-OH 3.35Å; R1193-Y1263 HydrophobicContact CG-CE2 4.19Å; R1193-Y1263 PolarHBondContact NH1-OH 2.87Å; C1238-Y1263 CarbonylContact O-C 3.38Å; C1238-Y1263 WeakPolarHBondContact O-CA 3.39Å; K1239-Y1263 CarbonylContact C-O 3.53Å; M1240-Y1263 PolarHBondContact N-O 3Å; M1240-Y1263 VanDerWaalsContact N-O 3.11Å; F1241-Y1263 HydrophobicContact CB-CD2 4.37Å; F1241-Y1263 HydrophobicContact CB-CE1 4.04Å; F1241-Y1263 HydrophobicContact CB-CE2 3.89Å; F1241-Y1263 HydrophobicContact CD2-CD2 4.23Å; F1241-Y1263 AromaticContact CD2-CE2 3.74Å; F1241-Y1263 HydrophobicContact CD2-CE2 3.74Å; F1241-Y1263 HydrophobicContact CG-CE2 4.27Å; F1241-Y1263 PolarHBondContact N-O 3.41Å; F1241-Y1263 PolarHBondContact O-N 3.46Å; D1243-Y1263 PolarHBondContact OD2-OH 3.34Å; V1257-Y1263 HydrophobicContact CB-CD1 4.49Å; V1257-Y1263 HydrophobicContact CG1-CD1 4.36Å; V1257-Y1263 HydrophobicContact CG1-CE1 4.37Å; V1257-Y1263 HydrophobicContact CG2-CD1 3.92Å; V1257-Y1263 HydrophobicContact CG2-CD2 4.36Å; V1257-Y1263 HydrophobicContact CG2-CG 3.83Å; Y1263-V1267 HydrophobicContact CD2-CG1 3.6Å; Y1263-V1267 HydrophobicContact CD2-CG2 4.21Å; Y1263-V1267 HydrophobicContact CG-CG1 3.86Å
1264	G	89.2	Confident	92.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.			trans	-151.8	-143.3	177.3	0	0	0	0	0	111.1	D1237 C1238 P1266 V1267	D1237-G1264 WeakPolarHBondContact O-CA 3.48Å; C1238-G1264 PolarHBondContact O-N 3.47Å; G1264-P1266 VanDerWaalsContact C-N 3.29Å; G1264-P1266 VanDerWaalsContact O-N 3.16Å; G1264-V1267 WeakPolarHBondContact O-CG2 3.33Å; G1264-V1267 PolarHBondContact O-N 3.11Å
1265	K	92.2	Very high	92.2	Very high	44 Å²	44	19.4 Å²	19.4	19%	0.191	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-39.6	176.6	-66.8	178.2	-177.2	175.4	0	115.1	H1186 V1191 N1222 V1267 D1268	H1186-K1265 HydrophobicContact CB-CD 4.01Å; H1186-K1265 HydrophobicContact CB-CG 4.41Å; H1186-K1265 VanDerWaalsContact O-CE 3.29Å; H1186-K1265 WeakPolarHBondContact O-CE 3.39Å; H1186-K1265 PolarHBondContact O-NZ 3.15Å; V1191-K1265 HydrophobicContact CG2-CG 4.15Å; N1222-K1265 WeakPolarHBondContact ND2-CE 3.42Å; N1222-K1265 PolarHBondContact ND2-NZ 2.88Å; K1265-V1267 PolarHBondContact O-N 3.4Å; K1265-D1268 PolarHBondContact O-N 3.48Å; K1265-D1268 VanDerWaalsContact O-N 3.09Å
1266	P	93.1	Very high	92.3	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.026	9%	0.089	C	C	.	.	H	α-helix	trans	-62.2	-14.5	-174.9	-26.7	36.9	0	0	0	116.4	C1238 G1264 D1268 W1269 W1270 P1329 R1332 T1335	C1238-P1266 HydrophobicContact CB-CG 4.45Å; G1264-P1266 VanDerWaalsContact C-N 3.29Å; G1264-P1266 VanDerWaalsContact O-N 3.16Å; P1266-D1268 VanDerWaalsContact C-N 3.3Å; P1266-W1269 PolarHBondContact O-N 2.66Å; P1266-W1270 PolarHBondContact O-N 2.93Å; P1266-W1270 VanDerWaalsContact O-N 3.13Å; P1266-P1329 HydrophobicContact CB-CB 4.03Å; P1266-P1329 HydrophobicContact CG-CB 4.46Å; P1266-R1332 WeakPolarHBondContact O-CD 3.49Å; P1266-R1332 PolarHBondContact O-NH1 3.32Å; P1266-T1335 HydrophobicContact CG-CG2 3.95Å
1267	V	94.4	Very high	92.5	Very high	6 Å²	6	19.8 Å²	19.8	4%	0.036	9%	0.092	C	C	.	.	H	α-helix	trans	-66.7	-35.8	174.6	-53.1	0	0	0	0	111.7	V1191 R1193 A1254 E1256 V1257 Y1263 G1264 K1265 W1269 W1270 S1271	V1191-V1267 HydrophobicContact CG1-CG2 3.7Å; R1193-V1267 HydrophobicContact CG-CG2 4.41Å; A1254-V1267 HydrophobicContact CB-CB 4.09Å; A1254-V1267 HydrophobicContact CB-CG1 4.05Å; E1256-V1267 HydrophobicContact CG-CG1 4.47Å; E1256-V1267 WeakPolarHBondContact OE1-CG1 3.33Å; V1257-V1267 HydrophobicContact CG2-CB 4.47Å; V1257-V1267 HydrophobicContact CG2-CG1 3.62Å; Y1263-V1267 HydrophobicContact CD2-CG1 3.6Å; Y1263-V1267 HydrophobicContact CD2-CG2 4.21Å; Y1263-V1267 HydrophobicContact CG-CG1 3.86Å; G1264-V1267 WeakPolarHBondContact O-CG2 3.33Å; G1264-V1267 PolarHBondContact O-N 3.11Å; K1265-V1267 PolarHBondContact O-N 3.4Å; V1267-W1269 VanDerWaalsContact C-N 3.33Å; V1267-W1270 WeakPolarHBondContact O-CB 3.34Å; V1267-W1270 PolarHBondContact O-N 3.49Å; V1267-S1271 PolarHBondContact O-N 3.04Å; V1267-S1271 PolarHBondContact O-OG 3.33Å
1268	D	95.9	Very high	92.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-68.7	-37.6	180	-69.2	-18.5	0	0	0	109.9	L1182 H1186 V1191 H1192 R1193 L1195 K1265 P1266 S1271 M1272	L1182-D1268 HydrophobicContact CD1-CB 4.48Å; L1182-D1268 HydrophobicContact CD2-CB 4.05Å; H1186-D1268 IonicContact CD2-OD2 3.61Å; H1186-D1268 IonicContact CE1-OD2 2.69Å; H1186-D1268 IonicContact NE2-OD2 3.19Å; H1186-D1268 PolarHBondContact NE2-OD2 3.13Å; V1191-D1268 WeakPolarHBondContact CA-OD2 2.88Å; V1191-D1268 VanDerWaalsContact CG1-OD2 3.29Å; V1191-D1268 WeakPolarHBondContact CG1-OD2 3.4Å; H1192-D1268 PolarHBondContact N-OD1 3.17Å; H1192-D1268 PolarHBondContact N-OD2 3.02Å; R1193-D1268 PolarHBondContact N-OD1 2.96Å; L1195-D1268 HydrophobicContact CD1-CB 3.7Å; L1195-D1268 WeakPolarHBondContact CD1-O 3.45Å; K1265-D1268 PolarHBondContact O-N 3.48Å; K1265-D1268 VanDerWaalsContact O-N 3.09Å; P1266-D1268 VanDerWaalsContact C-N 3.3Å; D1268-S1271 PolarHBondContact O-N 3.25Å; D1268-M1272 VanDerWaalsContact O-CG 3.3Å; D1268-M1272 WeakPolarHBondContact O-CG 3.23Å; D1268-M1272 PolarHBondContact O-N 2.8Å
1269	W	97.1	Very high	92.9	Very high	1 Å²	1	19.2 Å²	19.2	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-67	-34	173.9	-60.1	134.5	0	0	0	113.4	V1179 L1182 P1266 V1267 M1272 G1273 L1324 L1333 G1334 V1342	V1179-W1269 HydrophobicContact CG1-CH2 4.4Å; V1179-W1269 HydrophobicContact CG2-CZ3 4.21Å; L1182-W1269 HydrophobicContact CB-CH2 4.14Å; L1182-W1269 HydrophobicContact CB-CZ3 4.35Å; L1182-W1269 HydrophobicContact CD1-CE3 4.33Å; L1182-W1269 HydrophobicContact CD1-CZ3 3.98Å; P1266-W1269 PolarHBondContact O-N 2.66Å; V1267-W1269 VanDerWaalsContact C-N 3.33Å; W1269-M1272 HydrophobicContact CE3-CG 4.29Å; W1269-M1272 PolarHBondContact O-N 2.93Å; W1269-G1273 PolarHBondContact O-N 2.91Å; W1269-L1324 HydrophobicContact CB-CD2 4.03Å; W1269-L1333 WeakPolarHBondContact CB-O 3.46Å; W1269-G1334 PolarHBondContact NE1-O 3.18Å; W1269-V1342 HydrophobicContact CD2-CG2 4.4Å; W1269-V1342 HydrophobicContact CE3-CG2 4.14Å; W1269-V1342 HydrophobicContact CH2-CG2 4.33Å; W1269-V1342 HydrophobicContact CZ3-CG2 4.12Å
1270	W	97.6	Very high	93.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.8	-50.9	170.1	173.4	-82.6	0	0	0	111.2	I1253 A1254 P1255 P1266 V1267 M1272 G1273 I1274 F1286 I1298 L1325 R1327	I1253-W1270 PolarHBondContact O-NE1 3.04Å; A1254-W1270 HydrophobicContact CB-CB 3.76Å; A1254-W1270 HydrophobicContact CB-CD2 4.23Å; A1254-W1270 HydrophobicContact CB-CG 3.64Å; P1255-W1270 HydrophobicContact CG-CE3 4.2Å; P1255-W1270 HydrophobicContact CG-CH2 3.59Å; P1255-W1270 HydrophobicContact CG-CZ2 3.98Å; P1255-W1270 HydrophobicContact CG-CZ3 3.7Å; P1266-W1270 PolarHBondContact O-N 2.93Å; P1266-W1270 VanDerWaalsContact O-N 3.13Å; V1267-W1270 WeakPolarHBondContact O-CB 3.34Å; V1267-W1270 PolarHBondContact O-N 3.49Å; W1270-M1272 VanDerWaalsContact C-N 3.25Å; W1270-M1272 PolarHBondContact O-N 3.24Å; W1270-G1273 WeakPolarHBondContact O-CA 3.24Å; W1270-G1273 PolarHBondContact O-N 3.2Å; W1270-I1274 HydrophobicContact CZ2-CD1 4.31Å; W1270-I1274 PolarHBondContact O-N 3.35Å; W1270-F1286 AromaticContact CH2-CE2 3.85Å; W1270-F1286 HydrophobicContact CH2-CE2 3.85Å; W1270-F1286 HydrophobicContact CH2-CZ 4.28Å; W1270-F1286 HydrophobicContact CZ2-CD2 4.15Å; W1270-F1286 AromaticContact CZ2-CE2 3.55Å; W1270-F1286 HydrophobicContact CZ2-CE2 3.55Å; W1270-F1286 HydrophobicContact CZ2-CZ 4.41Å; W1270-I1298 HydrophobicContact CZ2-CG2 3.87Å; W1270-L1325 HydrophobicContact CD2-CD2 3.76Å; W1270-L1325 HydrophobicContact CE3-CB 4.49Å; W1270-L1325 HydrophobicContact CE3-CD2 3.96Å; W1270-L1325 HydrophobicContact CG-CD2 4.23Å; W1270-L1325 HydrophobicContact CH2-CD2 4.33Å; W1270-L1325 HydrophobicContact CZ2-CD2 4.14Å; W1270-L1325 HydrophobicContact CZ3-CB 4.23Å; W1270-L1325 HydrophobicContact CZ3-CD2 4.25Å; W1270-L1325 VanDerWaalsContact CZ3-O 3.23Å; W1270-L1325 WeakPolarHBondContact CZ3-O 3.02Å; W1270-L1325 WeakPolarHBondContact O-CD2 3.45Å; W1270-R1327 HydrophobicContact CH2-CG 4.42Å; W1270-R1327 HydrophobicContact CZ3-CG 4.21Å
1271	S	97.5	Very high	93.6	Very high	6 Å²	6	12.1 Å²	12.1	4%	0.042	6%	0.06	C	C	.	.	H	α-helix	trans	-61.9	-34	179.1	-54	0	0	0	0	112	Y1252 V1267 D1268 I1274 M1275	Y1252-S1271 PolarHBondContact O-OG 2.91Å; V1267-S1271 PolarHBondContact O-N 3.04Å; V1267-S1271 PolarHBondContact O-OG 3.33Å; D1268-S1271 PolarHBondContact O-N 3.25Å; S1271-I1274 WeakPolarHBondContact O-CB 3.25Å; S1271-I1274 PolarHBondContact O-N 2.93Å; S1271-M1275 VanDerWaalsContact O-CG 3.3Å; S1271-M1275 WeakPolarHBondContact O-CG 3.4Å; S1271-M1275 PolarHBondContact O-N 2.78Å
1272	M	97.7	Very high	94	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-60.7	-42.9	168.8	-75.7	-67.8	-82.9	0	0	112.5	F1175 T1178 V1179 L1182 L1195 D1268 W1269 W1270 I1274 M1275 L1276	F1175-M1272 HydrophobicContact CD1-CE 3.96Å; F1175-M1272 HydrophobicContact CD2-CE 3.67Å; F1175-M1272 HydrophobicContact CE1-CE 3.86Å; F1175-M1272 HydrophobicContact CE2-CB 3.85Å; F1175-M1272 HydrophobicContact CE2-CE 3.56Å; F1175-M1272 WeakPolarHBondContact CE2-O 3.37Å; F1175-M1272 HydrophobicContact CE2-SD 4.34Å; F1175-M1272 HydrophobicContact CG-CE 3.89Å; F1175-M1272 HydrophobicContact CZ-CB 4.1Å; F1175-M1272 HydrophobicContact CZ-CE 3.67Å; T1178-M1272 HydrophobicContact CG2-CE 3.82Å; T1178-M1272 HydrophobicContact CG2-SD 3.46Å; T1178-M1272 WeakPolarHBondContact CG2-SD 3.49Å; V1179-M1272 HydrophobicContact CG2-CE 3.76Å; L1182-M1272 HydrophobicContact CD1-CE 4.25Å; L1182-M1272 HydrophobicContact CD1-CG 3.5Å; L1182-M1272 VanDerWaalsContact CD1-CG 3.5Å; L1182-M1272 HydrophobicContact CD1-SD 3.85Å; L1195-M1272 HydrophobicContact CD1-CG 3.98Å; L1195-M1272 HydrophobicContact CD1-SD 4.43Å; D1268-M1272 VanDerWaalsContact O-CG 3.3Å; D1268-M1272 WeakPolarHBondContact O-CG 3.23Å; D1268-M1272 PolarHBondContact O-N 2.8Å; W1269-M1272 HydrophobicContact CE3-CG 4.29Å; W1269-M1272 PolarHBondContact O-N 2.93Å; W1270-M1272 VanDerWaalsContact C-N 3.25Å; W1270-M1272 PolarHBondContact O-N 3.24Å; M1272-I1274 VanDerWaalsContact C-N 3.34Å; M1272-I1274 PolarHBondContact O-N 3.19Å; M1272-M1275 PolarHBondContact O-N 2.9Å; M1272-L1276 PolarHBondContact O-N 3.41Å
1273	G	97.8	Very high	94.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.3	-41.4	173.4	0	0	0	0	0	113.2	W1269 W1270 Y1277	W1269-G1273 PolarHBondContact O-N 2.91Å; W1270-G1273 WeakPolarHBondContact O-CA 3.24Å; W1270-G1273 PolarHBondContact O-N 3.2Å; G1273-Y1277 PolarHBondContact O-N 3.01Å; G1273-Y1277 VanDerWaalsContact O-N 3.13Å
1274	I	97.9	Very high	95.1	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62	-47.5	174.2	-60.3	-64.2	0	0	0	110.5	Y1252 W1270 S1271 M1272 Y1277 E1278 V1284 P1285 F1286 L1325	Y1252-I1274 HydrophobicContact CD1-CB 4Å; Y1252-I1274 HydrophobicContact CD1-CG2 3.47Å; Y1252-I1274 VanDerWaalsContact CD1-CG2 3.47Å; Y1252-I1274 HydrophobicContact CE1-CG2 3.71Å; Y1252-I1274 HydrophobicContact CG-CG2 4.18Å; W1270-I1274 HydrophobicContact CZ2-CD1 4.31Å; W1270-I1274 PolarHBondContact O-N 3.35Å; S1271-I1274 WeakPolarHBondContact O-CB 3.25Å; S1271-I1274 PolarHBondContact O-N 2.93Å; M1272-I1274 VanDerWaalsContact C-N 3.34Å; M1272-I1274 PolarHBondContact O-N 3.19Å; I1274-Y1277 PolarHBondContact O-N 3.46Å; I1274-E1278 WeakPolarHBondContact O-CB 3.48Å; I1274-E1278 PolarHBondContact O-N 3.44Å; I1274-V1284 HydrophobicContact CG2-CB 4.37Å; I1274-V1284 HydrophobicContact CG2-CG1 3.95Å; I1274-P1285 HydrophobicContact CD1-CG 3.55Å; I1274-F1286 HydrophobicContact CD1-CD2 3.81Å; I1274-F1286 HydrophobicContact CD1-CE2 3.88Å; I1274-L1325 HydrophobicContact CD1-CD1 4.17Å; I1274-L1325 HydrophobicContact CD1-CD2 3.6Å; I1274-L1325 HydrophobicContact CG1-CD2 3.85Å
1275	M	97.2	Very high	95.4	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-65.1	-39.3	-179.5	-71	170.4	64.9	0	0	112.9	L1195 K1196 P1197 L1200 Y1252 S1271 M1272 E1278 F1279	L1195-M1275 HydrophobicContact CB-SD 3.87Å; K1196-M1275 VanDerWaalsContact CA-SD 3.57Å; K1196-M1275 PolarHBondContact N-SD 3.32Å; P1197-M1275 HydrophobicContact CG-CE 4.46Å; P1197-M1275 HydrophobicContact CG-CG 4.33Å; L1200-M1275 HydrophobicContact CD1-CE 3.42Å; L1200-M1275 VanDerWaalsContact CD1-CE 3.42Å; L1200-M1275 HydrophobicContact CD2-CE 4.46Å; L1200-M1275 HydrophobicContact CG-CE 3.8Å; Y1252-M1275 HydrophobicContact CD1-CG 4.07Å; Y1252-M1275 HydrophobicContact CE1-CG 3.82Å; S1271-M1275 VanDerWaalsContact O-CG 3.3Å; S1271-M1275 WeakPolarHBondContact O-CG 3.4Å; S1271-M1275 PolarHBondContact O-N 2.78Å; M1272-M1275 PolarHBondContact O-N 2.9Å; M1275-E1278 PolarHBondContact O-N 2.86Å; M1275-F1279 HydrophobicContact CB-CZ 4.47Å; M1275-F1279 HydrophobicContact CE-CZ 4.11Å; M1275-F1279 WeakPolarHBondContact O-CB 3.26Å; M1275-F1279 VanDerWaalsContact O-CD1 3.29Å; M1275-F1279 WeakPolarHBondContact O-CD1 3.37Å; M1275-F1279 WeakPolarHBondContact O-CG 3.45Å; M1275-F1279 PolarHBondContact O-N 3.38Å
1276	L	97	Very high	95.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-69.3	-37.2	177.7	-173.5	56.9	0	0	0	112.2	F1175 M1272 L1280 L1320 I1321 F1347	F1175-L1276 HydrophobicContact CB-CD1 4.34Å; F1175-L1276 HydrophobicContact CD2-CB 3.67Å; F1175-L1276 HydrophobicContact CD2-CD1 3.97Å; F1175-L1276 HydrophobicContact CD2-CD2 3.96Å; F1175-L1276 HydrophobicContact CD2-CG 4.07Å; F1175-L1276 HydrophobicContact CE2-CB 3.7Å; F1175-L1276 HydrophobicContact CE2-CD2 3.87Å; F1175-L1276 HydrophobicContact CE2-CG 4.27Å; F1175-L1276 HydrophobicContact CG-CD1 4.32Å; F1175-L1276 HydrophobicContact CG-CD2 4.45Å; F1175-L1276 HydrophobicContact CZ-CD2 4.31Å; M1272-L1276 PolarHBondContact O-N 3.41Å; L1276-L1280 HydrophobicContact CD1-CD1 3.95Å; L1276-L1280 HydrophobicContact CD1-CG 4.23Å; L1276-L1280 HydrophobicContact CG-CD1 4.17Å; L1276-L1280 WeakPolarHBondContact O-CB 3.27Å; L1276-L1280 WeakPolarHBondContact O-CG 3.45Å; L1276-L1280 PolarHBondContact O-N 3.1Å; L1276-L1280 VanDerWaalsContact O-N 3.11Å; L1276-L1320 HydrophobicContact CD2-CD2 3.58Å; L1276-L1320 HydrophobicContact CD2-CG 4Å; L1276-I1321 HydrophobicContact CB-CD1 4.49Å; L1276-I1321 HydrophobicContact CB-CG1 4.04Å; L1276-I1321 HydrophobicContact CD2-CD1 4.47Å; L1276-I1321 HydrophobicContact CD2-CG1 3.82Å; L1276-I1321 HydrophobicContact CG-CD1 4.09Å; L1276-I1321 HydrophobicContact CG-CG1 3.83Å; L1276-F1347 HydrophobicContact CD1-CE1 4.31Å; L1276-F1347 HydrophobicContact CD1-CZ 4.07Å; L1276-F1347 HydrophobicContact CD2-CE1 4.22Å; L1276-F1347 HydrophobicContact CD2-CZ 4.43Å
1277	Y	96.5	Very high	95.4	Very high	15 Å²	15	15.6 Å²	15.6	6%	0.059	10%	0.101	C	C	.	.	H	α-helix	trans	-61.1	-48.7	170	-178.6	-80.4	0	0	0	110.6	G1273 I1274 F1279 L1280 V1281 C1283 P1285 I1303 D1304 W1305 I1321	G1273-Y1277 PolarHBondContact O-N 3.01Å; G1273-Y1277 VanDerWaalsContact O-N 3.13Å; I1274-Y1277 PolarHBondContact O-N 3.46Å; Y1277-F1279 VanDerWaalsContact C-N 3.33Å; Y1277-F1279 PolarHBondContact O-N 3.07Å; Y1277-L1280 PolarHBondContact O-N 3.29Å; Y1277-L1280 VanDerWaalsContact O-N 3.11Å; Y1277-V1281 HydrophobicContact CD1-CB 4.2Å; Y1277-V1281 HydrophobicContact CD1-CG2 4.2Å; Y1277-V1281 HydrophobicContact CD2-CG2 4.15Å; Y1277-V1281 HydrophobicContact CE1-CB 3.81Å; Y1277-V1281 HydrophobicContact CE1-CG1 4Å; Y1277-V1281 HydrophobicContact CE1-CG2 3.93Å; Y1277-V1281 HydrophobicContact CE2-CG2 3.88Å; Y1277-V1281 HydrophobicContact CG-CG2 4.3Å; Y1277-V1281 WeakPolarHBondContact O-CB 3.32Å; Y1277-V1281 WeakPolarHBondContact O-CG2 3.41Å; Y1277-V1281 PolarHBondContact O-N 3.4Å; Y1277-C1283 WeakPolarHBondContact CD1-O 3.27Å; Y1277-C1283 WeakPolarHBondContact CE1-O 3.48Å; Y1277-P1285 HydrophobicContact CD1-CB 3.65Å; Y1277-P1285 VanDerWaalsContact CD1-CD 3.45Å; Y1277-P1285 HydrophobicContact CD1-CG 3.92Å; Y1277-P1285 HydrophobicContact CD2-CB 3.97Å; Y1277-P1285 VanDerWaalsContact CE1-CA 3.44Å; Y1277-P1285 HydrophobicContact CE1-CB 3.67Å; Y1277-P1285 HydrophobicContact CE1-CG 4.41Å; Y1277-P1285 HydrophobicContact CE2-CB 3.98Å; Y1277-P1285 HydrophobicContact CG-CB 3.8Å; Y1277-P1285 HydrophobicContact CG-CG 4.01Å; Y1277-I1303 HydrophobicContact CD2-CG2 4.11Å; Y1277-I1303 HydrophobicContact CE2-CG2 3.85Å; Y1277-D1304 WeakPolarHBondContact CE2-O 3.47Å; Y1277-D1304 PolarHBondContact OH-O 2.78Å; Y1277-W1305 HydrophobicContact CD2-CE3 4.36Å; Y1277-W1305 HydrophobicContact CD2-CH2 4.17Å; Y1277-W1305 AromaticContact CD2-CZ3 3.83Å; Y1277-W1305 HydrophobicContact CD2-CZ3 3.83Å; Y1277-W1305 HydrophobicContact CE2-CE3 4.08Å; Y1277-W1305 HydrophobicContact CE2-CZ3 4.02Å; Y1277-I1321 HydrophobicContact CD2-CG2 4.41Å
1278	E	95.5	Very high	95.2	Very high	26 Å²	26	17 Å²	17	12%	0.121	12%	0.117	C	C	.	.	H	α-helix	trans	-62.6	-37.6	179.1	-174.4	-178.8	-153.5	0	0	112.7	L1159 P1197 Y1252 I1274 M1275 L1280 G1282 C1283 V1284	L1159-E1278 HydrophobicContact CD2-CG 3.73Å; P1197-E1278 VanDerWaalsContact CG-OE2 3.24Å; P1197-E1278 WeakPolarHBondContact CG-OE2 3.35Å; Y1252-E1278 PolarHBondContact OH-OE2 2.78Å; I1274-E1278 WeakPolarHBondContact O-CB 3.48Å; I1274-E1278 PolarHBondContact O-N 3.44Å; M1275-E1278 PolarHBondContact O-N 2.86Å; E1278-L1280 VanDerWaalsContact C-N 3.34Å; E1278-L1280 PolarHBondContact O-N 2.75Å; E1278-G1282 WeakPolarHBondContact O-CA 3.27Å; E1278-G1282 PolarHBondContact O-N 3.42Å; E1278-C1283 WeakPolarHBondContact CA-O 3.22Å; E1278-V1284 HydrophobicContact CB-CG1 4.49Å; E1278-V1284 HydrophobicContact CG-CG1 4.45Å
1279	F	95.5	Very high	94.9	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.009	16%	0.155	C	C	.	.	H	α-helix	trans	-64.2	-36.5	173.4	-67.3	-9.5	0	0	0	112.5	V1155 P1165 L1166 A1171 P1197 L1200 M1275 Y1277	V1155-F1279 HydrophobicContact CG1-CE1 3.65Å; V1155-F1279 HydrophobicContact CG1-CZ 3.87Å; P1165-F1279 CarbonylContact C-O 3.54Å; P1165-F1279 WeakPolarHBondContact CA-O 3.18Å; P1165-F1279 WeakPolarHBondContact CB-O 3.02Å; L1166-F1279 HydrophobicContact CD1-CB 4.03Å; L1166-F1279 HydrophobicContact CD1-CD1 3.8Å; L1166-F1279 HydrophobicContact CD1-CD2 4.23Å; L1166-F1279 HydrophobicContact CD1-CE1 4.31Å; L1166-F1279 HydrophobicContact CD1-CG 3.76Å; L1166-F1279 HydrophobicContact CG-CB 4.3Å; L1166-F1279 HydrophobicContact CG-CD1 4.49Å; L1166-F1279 HydrophobicContact CG-CG 4.48Å; L1166-F1279 PolarHBondContact N-O 3.29Å; A1171-F1279 HydrophobicContact CB-CB 3.9Å; A1171-F1279 HydrophobicContact CB-CD2 4.41Å; P1197-F1279 HydrophobicContact CB-CE1 4Å; P1197-F1279 HydrophobicContact CG-CE1 3.8Å; L1200-F1279 HydrophobicContact CD1-CZ 4.19Å; M1275-F1279 HydrophobicContact CB-CZ 4.47Å; M1275-F1279 HydrophobicContact CE-CZ 4.11Å; M1275-F1279 WeakPolarHBondContact O-CB 3.26Å; M1275-F1279 VanDerWaalsContact O-CD1 3.29Å; M1275-F1279 WeakPolarHBondContact O-CD1 3.37Å; M1275-F1279 WeakPolarHBondContact O-CG 3.45Å; M1275-F1279 PolarHBondContact O-N 3.38Å; Y1277-F1279 VanDerWaalsContact C-N 3.33Å; Y1277-F1279 PolarHBondContact O-N 3.07Å
1280	L	94.4	Very high	94.7	Very high	20 Å²	20	24.9 Å²	24.9	11%	0.105	18%	0.175	C	C	.	.	H	α-helix	trans	-94.9	-14.6	-174.9	-64.2	178.6	0	0	0	114.4	P1165 L1168 A1171 L1276 Y1277 E1278 V1313 A1317 I1321	P1165-L1280 VanDerWaalsContact CB-C 3.46Å; P1165-L1280 WeakPolarHBondContact CB-O 3.41Å; L1168-L1280 HydrophobicContact CD1-CD1 4.43Å; L1168-L1280 HydrophobicContact CD1-CD2 3.78Å; A1171-L1280 HydrophobicContact CB-CD2 3.61Å; A1171-L1280 HydrophobicContact CB-CG 4.29Å; L1276-L1280 HydrophobicContact CD1-CD1 3.95Å; L1276-L1280 HydrophobicContact CD1-CG 4.23Å; L1276-L1280 HydrophobicContact CG-CD1 4.17Å; L1276-L1280 WeakPolarHBondContact O-CB 3.27Å; L1276-L1280 WeakPolarHBondContact O-CG 3.45Å; L1276-L1280 PolarHBondContact O-N 3.1Å; L1276-L1280 VanDerWaalsContact O-N 3.11Å; Y1277-L1280 PolarHBondContact O-N 3.29Å; Y1277-L1280 VanDerWaalsContact O-N 3.11Å; E1278-L1280 VanDerWaalsContact C-N 3.34Å; E1278-L1280 PolarHBondContact O-N 2.75Å; L1280-V1313 HydrophobicContact CB-CG2 4.33Å; L1280-V1313 HydrophobicContact CD1-CG1 4.12Å; L1280-A1317 HydrophobicContact CD1-CB 3.67Å; L1280-I1321 HydrophobicContact CD1-CD1 4.33Å
1281	V	92.9	Very high	94.3	Very high	34 Å²	34	28.8 Å²	28.8	21%	0.206	20%	0.195	C	C	.	.	H	α-helix	trans	-117.7	-24.2	179.5	-174.4	0	0	0	0	112.8	Y1277 P1306 V1313	Y1277-V1281 HydrophobicContact CD1-CB 4.2Å; Y1277-V1281 HydrophobicContact CD1-CG2 4.2Å; Y1277-V1281 HydrophobicContact CD2-CG2 4.15Å; Y1277-V1281 HydrophobicContact CE1-CB 3.81Å; Y1277-V1281 HydrophobicContact CE1-CG1 4Å; Y1277-V1281 HydrophobicContact CE1-CG2 3.93Å; Y1277-V1281 HydrophobicContact CE2-CG2 3.88Å; Y1277-V1281 HydrophobicContact CG-CG2 4.3Å; Y1277-V1281 WeakPolarHBondContact O-CB 3.32Å; Y1277-V1281 WeakPolarHBondContact O-CG2 3.41Å; Y1277-V1281 PolarHBondContact O-N 3.4Å; V1281-P1306 HydrophobicContact CG2-CG 4.33Å; V1281-V1313 HydrophobicContact CG2-CG2 3.8Å
1282	G	90.9	Very high	94	Very high	30 Å²	30	34.5 Å²	34.5	31%	0.309	22%	0.221	S	C	.	.	S	Bend	trans	87.4	5.8	-178.8	0	0	0	0	0	115.1	E1278	E1278-G1282 WeakPolarHBondContact O-CA 3.27Å; E1278-G1282 PolarHBondContact O-N 3.42Å
1283	C	91.4	Very high	93.8	Very high	62 Å²	62	38.8 Å²	38.8	42%	0.419	24%	0.241	S	C	.	.	S	Bend	trans	-151.8	162.1	173.2	61.4	0	0	0	0	110.9	Y1277 E1278	Y1277-C1283 WeakPolarHBondContact CD1-O 3.27Å; Y1277-C1283 WeakPolarHBondContact CE1-O 3.48Å; E1278-C1283 WeakPolarHBondContact CA-O 3.22Å
1284	V	95	Very high	93.7	Very high	21 Å²	21	39.3 Å²	39.3	13%	0.127	24%	0.244	C	C	.	.			trans	-71.4	149	175.6	-66.9	0	0	0	0	112.2	E1251 I1274 E1278 F1286	E1251-V1284 HydrophobicContact CB-CG1 4.35Å; E1251-V1284 HydrophobicContact CB-CG2 4.4Å; I1274-V1284 HydrophobicContact CG2-CB 4.37Å; I1274-V1284 HydrophobicContact CG2-CG1 3.95Å; E1278-V1284 HydrophobicContact CB-CG1 4.49Å; E1278-V1284 HydrophobicContact CG-CG1 4.45Å; V1284-F1286 VanDerWaalsContact C-N 3.32Å; V1284-F1286 WeakPolarHBondContact CG2-O 3.38Å; V1284-F1286 PolarHBondContact O-N 2.91Å
1285	P	95	Very high	93.5	Very high	15 Å²	15	41.3 Å²	41.3	10%	0.097	25%	0.253	C	S	.	.	S	Bend	trans	-74.5	-20.6	-174.6	28.1	-31.8	0	0	0	113.7	I1274 Y1277 I1303 L1325	I1274-P1285 HydrophobicContact CD1-CG 3.55Å; Y1277-P1285 HydrophobicContact CD1-CB 3.65Å; Y1277-P1285 VanDerWaalsContact CD1-CD 3.45Å; Y1277-P1285 HydrophobicContact CD1-CG 3.92Å; Y1277-P1285 HydrophobicContact CD2-CB 3.97Å; Y1277-P1285 VanDerWaalsContact CE1-CA 3.44Å; Y1277-P1285 HydrophobicContact CE1-CB 3.67Å; Y1277-P1285 HydrophobicContact CE1-CG 4.41Å; Y1277-P1285 HydrophobicContact CE2-CB 3.98Å; Y1277-P1285 HydrophobicContact CG-CB 3.8Å; Y1277-P1285 HydrophobicContact CG-CG 4.01Å; P1285-I1303 HydrophobicContact CB-CG2 4.25Å; P1285-L1325 HydrophobicContact CG-CD1 3.98Å
1286	F	95.9	Very high	93.3	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.018	28%	0.279	C	S	.	.			trans	-118.5	124.7	178.5	-52.1	-62.3	0	0	0	109.6	W1270 I1274 V1284 L1294 I1298 A1301 I1303 L1325	W1270-F1286 AromaticContact CH2-CE2 3.85Å; W1270-F1286 HydrophobicContact CH2-CE2 3.85Å; W1270-F1286 HydrophobicContact CH2-CZ 4.28Å; W1270-F1286 HydrophobicContact CZ2-CD2 4.15Å; W1270-F1286 AromaticContact CZ2-CE2 3.55Å; W1270-F1286 HydrophobicContact CZ2-CE2 3.55Å; W1270-F1286 HydrophobicContact CZ2-CZ 4.41Å; I1274-F1286 HydrophobicContact CD1-CD2 3.81Å; I1274-F1286 HydrophobicContact CD1-CE2 3.88Å; V1284-F1286 VanDerWaalsContact C-N 3.32Å; V1284-F1286 WeakPolarHBondContact CG2-O 3.38Å; V1284-F1286 PolarHBondContact O-N 2.91Å; F1286-L1294 HydrophobicContact CB-CD1 4.2Å; F1286-L1294 VanDerWaalsContact O-CD1 3.25Å; F1286-L1294 WeakPolarHBondContact O-CD1 3.28Å; F1286-I1298 HydrophobicContact CB-CG1 3.7Å; F1286-I1298 HydrophobicContact CD2-CG1 3.82Å; F1286-I1298 HydrophobicContact CG-CG1 3.91Å; F1286-A1301 HydrophobicContact CD1-CB 4.4Å; F1286-I1303 HydrophobicContact CE1-CG1 4.36Å; F1286-I1303 HydrophobicContact CZ-CG1 3.97Å; F1286-L1325 HydrophobicContact CE2-CD1 4.47Å
1287	C	90	Very high	93.2	Very high	82 Å²	82	48.4 Å²	48.4	55%	0.554	29%	0.291	S	S	*	.			trans	-127.2	155.8	179.5	-74.8	0	0	0	0	110.1	N1297	C1287-N1297 PolarHBondContact O-ND2 2.94Å
1288	G	91.3	Very high	93.2	Very high	36 Å²	36	47.7 Å²	47.7	37%	0.371	29%	0.288	S	S	.	.			trans	-159.3	151.8	172.2	0	0	0	0	0	110.9	T1290	G1288-T1290 VanDerWaalsContact C-N 3.32Å
1289	A	89	Confident	93.1	Very high	96 Å²	96	48.3 Å²	48.3	79%	0.793	29%	0.293	S	S	*	.	S	Bend	trans	-78.3	-19.3	174.7	0	0	0	0	0	112.4	E1293	A1289-E1293 WeakPolarHBondContact CA-OE2 3.5Å; A1289-E1293 WeakPolarHBondContact CB-OE2 3.39Å; A1289-E1293 PolarHBondContact N-OE2 3.39Å
1290	T	92.6	Very high	93	Very high	71 Å²	71	53 Å²	53	44%	0.436	32%	0.322	S	S	.	.	S	Bend	trans	-127.3	166.4	166.2	87.8	0	0	0	0	111.1	G1288 E1292 E1293 L1294	G1288-T1290 VanDerWaalsContact C-N 3.32Å; T1290-E1292 WeakPolarHBondContact CB-OE2 3.38Å; T1290-E1292 PolarHBondContact O-N 3.15Å; T1290-E1292 PolarHBondContact OG1-N 2.89Å; T1290-E1292 PolarHBondContact OG1-OE2 2.73Å; T1290-E1293 PolarHBondContact O-N 2.61Å; T1290-E1293 PolarHBondContact OG1-N 2.72Å; T1290-L1294 WeakPolarHBondContact O-CB 3.32Å; T1290-L1294 PolarHBondContact O-N 2.75Å
1291	I	88.5	Confident	92.9	Very high	82 Å²	82	53 Å²	53	42%	0.421	33%	0.325	S	S	.	.	H	α-helix	trans	-66.9	-32.2	178.9	-62.3	175.6	0	0	0	110.5	F1295	I1291-F1295 HydrophobicContact CG2-CD1 4.25Å; I1291-F1295 HydrophobicContact CG2-CD2 3.98Å; I1291-F1295 HydrophobicContact CG2-CE1 3.86Å; I1291-F1295 HydrophobicContact CG2-CE2 3.56Å; I1291-F1295 HydrophobicContact CG2-CG 4.33Å; I1291-F1295 HydrophobicContact CG2-CZ 3.5Å; I1291-F1295 VanDerWaalsContact CG2-CZ 3.5Å; I1291-F1295 WeakPolarHBondContact O-CB 3.36Å; I1291-F1295 WeakPolarHBondContact O-CG 3.45Å; I1291-F1295 PolarHBondContact O-N 3.03Å
1292	E	91.4	Very high	92.9	Very high	126 Å²	126	55.9 Å²	55.9	59%	0.589	35%	0.345	S	S	*	.	H	α-helix	trans	-66	-48.4	175.8	-57.3	72.9	-160.5	0	0	111.1	T1290 L1294 F1295 D1296	T1290-E1292 WeakPolarHBondContact CB-OE2 3.38Å; T1290-E1292 PolarHBondContact O-N 3.15Å; T1290-E1292 PolarHBondContact OG1-N 2.89Å; T1290-E1292 PolarHBondContact OG1-OE2 2.73Å; E1292-L1294 VanDerWaalsContact C-N 3.34Å; E1292-L1294 PolarHBondContact O-N 2.94Å; E1292-F1295 PolarHBondContact O-N 3.41Å; E1292-D1296 PolarHBondContact O-N 3.11Å
1293	E	94	Very high	93	Very high	91 Å²	91	55.9 Å²	55.9	43%	0.425	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-41.1	175.3	-176.1	-178.8	-161	0	0	111.8	A1289 T1290 D1296 N1297	A1289-E1293 WeakPolarHBondContact CA-OE2 3.5Å; A1289-E1293 WeakPolarHBondContact CB-OE2 3.39Å; A1289-E1293 PolarHBondContact N-OE2 3.39Å; T1290-E1293 PolarHBondContact O-N 2.61Å; T1290-E1293 PolarHBondContact OG1-N 2.72Å; E1293-D1296 PolarHBondContact O-N 3.34Å; E1293-N1297 WeakPolarHBondContact O-CB 3.48Å; E1293-N1297 VanDerWaalsContact O-CG 3.23Å; E1293-N1297 PolarHBondContact O-N 3.32Å; E1293-N1297 PolarHBondContact O-ND2 2.74Å
1294	L	94.8	Very high	93	Very high	11 Å²	11	58.3 Å²	58.3	6%	0.058	35%	0.346	C	S	.	.	H	α-helix	trans	-60.6	-44.1	173.7	173.7	62.6	0	0	0	111.8	P1250 E1251 F1286 T1290 E1292 N1297 I1298	P1250-L1294 HydrophobicContact CB-CD2 3.78Å; E1251-L1294 HydrophobicContact CG-CD2 4.06Å; F1286-L1294 HydrophobicContact CB-CD1 4.2Å; F1286-L1294 VanDerWaalsContact O-CD1 3.25Å; F1286-L1294 WeakPolarHBondContact O-CD1 3.28Å; T1290-L1294 WeakPolarHBondContact O-CB 3.32Å; T1290-L1294 PolarHBondContact O-N 2.75Å; E1292-L1294 VanDerWaalsContact C-N 3.34Å; E1292-L1294 PolarHBondContact O-N 2.94Å; L1294-N1297 PolarHBondContact O-N 2.93Å; L1294-I1298 HydrophobicContact CD1-CD1 4.04Å; L1294-I1298 HydrophobicContact CD1-CG1 4.35Å; L1294-I1298 HydrophobicContact CG-CD1 4.01Å; L1294-I1298 WeakPolarHBondContact O-CB 3.47Å; L1294-I1298 VanDerWaalsContact O-CG1 3.31Å; L1294-I1298 WeakPolarHBondContact O-CG1 3.34Å; L1294-I1298 PolarHBondContact O-N 2.83Å
1295	F	95	Very high	92.8	Very high	41 Å²	41	61 Å²	61	18%	0.18	35%	0.354	C	S	.	.	H	α-helix	trans	-68.5	-39.5	178.5	-73.6	-6.2	0	0	0	112.6	V1246 P1250 I1253 I1258 I1291 E1292 N1297 I1298 V1299	V1246-F1295 HydrophobicContact CG1-CZ 4.32Å; P1250-F1295 HydrophobicContact CB-CE1 4.13Å; I1253-F1295 HydrophobicContact CD1-CE1 4.26Å; I1253-F1295 HydrophobicContact CD1-CZ 4.27Å; I1258-F1295 HydrophobicContact CD1-CB 4.11Å; I1258-F1295 HydrophobicContact CD1-CD1 3.63Å; I1258-F1295 HydrophobicContact CD1-CE1 4.21Å; I1258-F1295 HydrophobicContact CD1-CG 3.91Å; I1258-F1295 HydrophobicContact CG1-CD1 4.13Å; I1258-F1295 HydrophobicContact CG1-CE1 4.36Å; I1258-F1295 HydrophobicContact CG1-CG 4.23Å; I1258-F1295 HydrophobicContact CG2-CB 3.95Å; I1258-F1295 HydrophobicContact CG2-CD2 4.09Å; I1258-F1295 HydrophobicContact CG2-CG 4.04Å; I1291-F1295 HydrophobicContact CG2-CD1 4.25Å; I1291-F1295 HydrophobicContact CG2-CD2 3.98Å; I1291-F1295 HydrophobicContact CG2-CE1 3.86Å; I1291-F1295 HydrophobicContact CG2-CE2 3.56Å; I1291-F1295 HydrophobicContact CG2-CG 4.33Å; I1291-F1295 HydrophobicContact CG2-CZ 3.5Å; I1291-F1295 VanDerWaalsContact CG2-CZ 3.5Å; I1291-F1295 WeakPolarHBondContact O-CB 3.36Å; I1291-F1295 WeakPolarHBondContact O-CG 3.45Å; I1291-F1295 PolarHBondContact O-N 3.03Å; E1292-F1295 PolarHBondContact O-N 3.41Å; F1295-N1297 VanDerWaalsContact C-N 3.34Å; F1295-I1298 HydrophobicContact CD1-CD1 4.37Å; F1295-I1298 PolarHBondContact O-N 2.85Å; F1295-V1299 WeakPolarHBondContact O-CB 3.49Å; F1295-V1299 VanDerWaalsContact O-CG2 3.29Å; F1295-V1299 WeakPolarHBondContact O-CG2 3.26Å; F1295-V1299 PolarHBondContact O-N 3.01Å
1296	D	92.8	Very high	92.4	Very high	104 Å²	104	61.9 Å²	61.9	56%	0.556	36%	0.359	S	S	*	.	H	α-helix	trans	-64	-40	173.3	-76.1	-20.9	0	0	0	110.9	E1292 E1293 V1299 T1300	E1292-D1296 PolarHBondContact O-N 3.11Å; E1293-D1296 PolarHBondContact O-N 3.34Å; D1296-V1299 PolarHBondContact O-N 2.68Å; D1296-T1300 WeakPolarHBondContact O-CB 3.49Å; D1296-T1300 PolarHBondContact O-N 3.19Å; D1296-T1300 PolarHBondContact O-OG1 2.88Å
1297	N	95.2	Very high	91.6	Very high	48 Å²	48	69.7 Å²	69.7	26%	0.257	40%	0.396	S	S	.	.	H	α-helix	trans	-67.1	-43.8	175.3	-73	-19.2	0	0	0	112.2	C1287 E1293 L1294 F1295 V1299 T1300 A1301 R1327	C1287-N1297 PolarHBondContact O-ND2 2.94Å; E1293-N1297 WeakPolarHBondContact O-CB 3.48Å; E1293-N1297 VanDerWaalsContact O-CG 3.23Å; E1293-N1297 PolarHBondContact O-N 3.32Å; E1293-N1297 PolarHBondContact O-ND2 2.74Å; L1294-N1297 PolarHBondContact O-N 2.93Å; F1295-N1297 VanDerWaalsContact C-N 3.34Å; N1297-V1299 VanDerWaalsContact C-N 3.26Å; N1297-V1299 PolarHBondContact O-N 2.96Å; N1297-T1300 PolarHBondContact O-N 2.77Å; N1297-A1301 HydrophobicContact CB-CB 4.08Å; N1297-A1301 VanDerWaalsContact O-CB 3.27Å; N1297-A1301 WeakPolarHBondContact O-CB 3.49Å; N1297-A1301 PolarHBondContact O-N 3.17Å; N1297-R1327 PolarHBondContact O-NH2 2.93Å
1298	I	95.8	Very high	90.9	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-56.1	-42	171.4	-75	166.6	0	0	0	111	P1250 P1255 I1258 W1270 F1286 L1294 F1295 R1327	P1250-I1298 WeakPolarHBondContact O-CD1 3.17Å; P1255-I1298 HydrophobicContact CG-CG2 3.97Å; I1258-I1298 HydrophobicContact CD1-CB 4.03Å; I1258-I1298 HydrophobicContact CD1-CD1 4.19Å; I1258-I1298 HydrophobicContact CD1-CG2 3.55Å; W1270-I1298 HydrophobicContact CZ2-CG2 3.87Å; F1286-I1298 HydrophobicContact CB-CG1 3.7Å; F1286-I1298 HydrophobicContact CD2-CG1 3.82Å; F1286-I1298 HydrophobicContact CG-CG1 3.91Å; L1294-I1298 HydrophobicContact CD1-CD1 4.04Å; L1294-I1298 HydrophobicContact CD1-CG1 4.35Å; L1294-I1298 HydrophobicContact CG-CD1 4.01Å; L1294-I1298 WeakPolarHBondContact O-CB 3.47Å; L1294-I1298 VanDerWaalsContact O-CG1 3.31Å; L1294-I1298 WeakPolarHBondContact O-CG1 3.34Å; L1294-I1298 PolarHBondContact O-N 2.83Å; F1295-I1298 HydrophobicContact CD1-CD1 4.37Å; F1295-I1298 PolarHBondContact O-N 2.85Å; I1298-R1327 PolarHBondContact O-NE 3.48Å; I1298-R1327 PolarHBondContact O-NH2 2.69Å
1299	V	93.7	Very high	89.7	Confident	38 Å²	38	74.1 Å²	74.1	23%	0.23	40%	0.399	C	S	.	.	H	α-helix	trans	-76.5	-28.6	-179.3	172.6	0	0	0	0	113.1	P1255 I1258 L1259 F1295 D1296 N1297 R1327	P1255-V1299 HydrophobicContact CB-CG2 4.38Å; I1258-V1299 HydrophobicContact CG2-CG2 4.22Å; L1259-V1299 HydrophobicContact CD1-CG1 4.21Å; L1259-V1299 HydrophobicContact CD1-CG2 4.35Å; L1259-V1299 HydrophobicContact CD2-CG1 4.3Å; L1259-V1299 HydrophobicContact CD2-CG2 4.27Å; L1259-V1299 HydrophobicContact CG-CG2 4.13Å; F1295-V1299 WeakPolarHBondContact O-CB 3.49Å; F1295-V1299 VanDerWaalsContact O-CG2 3.29Å; F1295-V1299 WeakPolarHBondContact O-CG2 3.26Å; F1295-V1299 PolarHBondContact O-N 3.01Å; D1296-V1299 PolarHBondContact O-N 2.68Å; N1297-V1299 VanDerWaalsContact C-N 3.26Å; N1297-V1299 PolarHBondContact O-N 2.96Å; V1299-R1327 WeakPolarHBondContact O-CD 3.32Å; V1299-R1327 PolarHBondContact O-NE 3.38Å; V1299-R1327 VanDerWaalsContact O-NE 3.08Å
1300	T	92.5	Very high	88.6	Confident	101 Å²	101	73.2 Å²	73.2	62%	0.62	38%	0.378	S	S	*	.	H	α-helix	trans	-129.3	-28.6	-167	67.7	0	0	0	0	117.6	D1296 N1297	D1296-T1300 WeakPolarHBondContact O-CB 3.49Å; D1296-T1300 PolarHBondContact O-N 3.19Å; D1296-T1300 PolarHBondContact O-OG1 2.88Å; N1297-T1300 PolarHBondContact O-N 2.77Å
1301	A	92.4	Very high	87.5	Confident	20 Å²	20	75 Å²	75	17%	0.165	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-73.3	146.8	-170.1	0	0	0	0	0	112.9	F1286 N1297 R1327	F1286-A1301 HydrophobicContact CD1-CB 4.4Å; N1297-A1301 HydrophobicContact CB-CB 4.08Å; N1297-A1301 VanDerWaalsContact O-CB 3.27Å; N1297-A1301 WeakPolarHBondContact O-CB 3.49Å; N1297-A1301 PolarHBondContact O-N 3.17Å; A1301-R1327 PolarHBondContact O-NH1 3.02Å; A1301-R1327 PolarHBondContact O-NH2 3.48Å
1302	P	92.8	Very high	87	Confident	94 Å²	94	77 Å²	77	61%	0.61	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-61.4	163.3	165.6	30.4	-35.4	0	0	0	110.7
1303	I	94.2	Very high	86.9	Confident	30 Å²	30	71.6 Å²	71.6	15%	0.154	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-85.4	116.7	166.6	-56.9	162.7	0	0	0	106.4	Y1277 P1285 F1286 W1305 L1325	Y1277-I1303 HydrophobicContact CD2-CG2 4.11Å; Y1277-I1303 HydrophobicContact CE2-CG2 3.85Å; P1285-I1303 HydrophobicContact CB-CG2 4.25Å; F1286-I1303 HydrophobicContact CE1-CG1 4.36Å; F1286-I1303 HydrophobicContact CZ-CG1 3.97Å; I1303-W1305 HydrophobicContact CB-CZ2 4.19Å; I1303-W1305 HydrophobicContact CD1-CZ2 4.46Å; I1303-W1305 HydrophobicContact CG2-CD2 4.29Å; I1303-W1305 HydrophobicContact CG2-CH2 4.09Å; I1303-W1305 HydrophobicContact CG2-CZ2 3.54Å; I1303-W1305 VanDerWaalsContact O-CD1 3.27Å; I1303-W1305 PolarHBondContact O-NE1 2.94Å; I1303-L1325 HydrophobicContact CD1-CB 3.75Å; I1303-L1325 HydrophobicContact CD1-CD1 3.92Å; I1303-L1325 HydrophobicContact CD1-CG 4.46Å; I1303-L1325 HydrophobicContact CG1-CD1 4.43Å
1304	D	91.3	Very high	86.8	Confident	114 Å²	114	69.6 Å²	69.6	61%	0.61	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-74.8	151.8	170.9	-68.9	-32.9	0	0	0	110	Y1277	Y1277-D1304 WeakPolarHBondContact CE2-O 3.47Å; Y1277-D1304 PolarHBondContact OH-O 2.78Å
1305	W	91.5	Very high	86.6	Confident	78 Å²	78	73.9 Å²	73.9	30%	0.295	38%	0.381	S	S	.	.			trans	-133.7	144.7	-178.9	-62.2	96.6	0	0	0	111	Y1277 I1303 E1307 V1313 V1318 I1321	Y1277-W1305 HydrophobicContact CD2-CE3 4.36Å; Y1277-W1305 HydrophobicContact CD2-CH2 4.17Å; Y1277-W1305 AromaticContact CD2-CZ3 3.83Å; Y1277-W1305 HydrophobicContact CD2-CZ3 3.83Å; Y1277-W1305 HydrophobicContact CE2-CE3 4.08Å; Y1277-W1305 HydrophobicContact CE2-CZ3 4.02Å; I1303-W1305 HydrophobicContact CB-CZ2 4.19Å; I1303-W1305 HydrophobicContact CD1-CZ2 4.46Å; I1303-W1305 HydrophobicContact CG2-CD2 4.29Å; I1303-W1305 HydrophobicContact CG2-CH2 4.09Å; I1303-W1305 HydrophobicContact CG2-CZ2 3.54Å; I1303-W1305 VanDerWaalsContact O-CD1 3.27Å; I1303-W1305 PolarHBondContact O-NE1 2.94Å; W1305-E1307 PolarHBondContact O-N 3.29Å; W1305-E1307 VanDerWaalsContact O-N 3.14Å; W1305-V1313 HydrophobicContact CE3-CB 4.37Å; W1305-V1313 HydrophobicContact CE3-CG2 4.35Å; W1305-V1313 HydrophobicContact CZ3-CB 4.47Å; W1305-V1313 HydrophobicContact CZ3-CG1 4.23Å; W1305-V1318 HydrophobicContact CD2-CG1 4.26Å; W1305-V1318 HydrophobicContact CD2-CG2 4.43Å; W1305-V1318 HydrophobicContact CE3-CG1 4.48Å; W1305-V1318 HydrophobicContact CE3-CG2 3.99Å; W1305-V1318 HydrophobicContact CH2-CB 4.32Å; W1305-V1318 HydrophobicContact CH2-CG1 4.06Å; W1305-V1318 HydrophobicContact CH2-CG2 4.41Å; W1305-V1318 HydrophobicContact CZ2-CG1 3.82Å; W1305-V1318 HydrophobicContact CZ3-CB 4.39Å; W1305-V1318 HydrophobicContact CZ3-CG1 4.39Å; W1305-V1318 HydrophobicContact CZ3-CG2 3.99Å; W1305-I1321 HydrophobicContact CH2-CB 3.86Å; W1305-I1321 HydrophobicContact CH2-CD1 4.13Å; W1305-I1321 HydrophobicContact CH2-CG2 3.66Å; W1305-I1321 HydrophobicContact CZ2-CG2 4.46Å; W1305-I1321 HydrophobicContact CZ3-CD1 4.06Å; W1305-I1321 HydrophobicContact CZ3-CG2 4.49Å
1306	P	86.5	Confident	86.5	Confident	32 Å²	32	74 Å²	74	21%	0.208	39%	0.386	C	S	.	.			trans	-66.7	112.8	172.8	27.2	-33.3	0	0	0	110.5	V1281 E1308 W1311 V1313	V1281-P1306 HydrophobicContact CG2-CG 4.33Å; P1306-E1308 PolarHBondContact O-N 3.26Å; P1306-W1311 HydrophobicContact CB-CB 4.49Å; P1306-W1311 VanDerWaalsContact CG-O 3.25Å; P1306-W1311 WeakPolarHBondContact CG-O 3.34Å; P1306-V1313 HydrophobicContact CG-CG2 3.91Å
1307	E	77.9	Confident	86.6	Confident	168 Å²	168	69.1 Å²	69.1	79%	0.785	36%	0.36	S	S	*	.			trans	-70.1	-15.2	177.9	-59.5	-170.7	144	0	0	113.3	W1305	W1305-E1307 PolarHBondContact O-N 3.29Å; W1305-E1307 VanDerWaalsContact O-N 3.14Å
1308	E	74.7	Confident	86.6	Confident	39 Å²	39	68.8 Å²	68.8	18%	0.182	36%	0.359	C	S	.	.			trans	-86.5	122.4	-162.3	-59.9	172.7	-178.6	0	0	111.5	F613 I614 P615 P1306 E1310 W1311 K1312	F613-E1308 VanDerWaalsContact CA-OE1 3.32Å; F613-E1308 WeakPolarHBondContact CA-OE1 3.4Å; F613-E1308 PolarHBondContact N-OE1 3.03Å; I614-E1308 VanDerWaalsContact CA-OE2 3.26Å; I614-E1308 WeakPolarHBondContact CA-OE2 3.44Å; I614-E1308 HydrophobicContact CG1-CB 4.11Å; I614-E1308 HydrophobicContact CG1-CG 3.81Å; I614-E1308 PolarHBondContact N-OE1 2.69Å; I614-E1308 VanDerWaalsContact N-OE1 3.1Å; I614-E1308 PolarHBondContact N-OE2 2.86Å; P615-E1308 VanDerWaalsContact CD-OE2 3.29Å; P615-E1308 WeakPolarHBondContact CD-OE2 3.17Å; P1306-E1308 PolarHBondContact O-N 3.26Å; E1308-E1310 PolarHBondContact O-N 3.49Å; E1308-W1311 CarbonylContact O-C 3.55Å; E1308-W1311 PolarHBondContact O-N 2.8Å; E1308-K1312 PolarHBondContact O-N 2.7Å
1309	E	67	Low	86.5	Confident	172 Å²	172	72 Å²	72	80%	0.804	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-25.8	-166.8	-61.5	-172.5	143.4	0	0	115.3
1310	E	65.7	Low	86.7	Confident	78 Å²	78	70.1 Å²	70.1	36%	0.364	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-19.5	176.8	-174.9	162.6	-110	0	0	113.9	R616 E1308	R616-E1310 WeakPolarHBondContact CG-OE1 3.34Å; R616-E1310 WeakPolarHBondContact CG-OE2 3.49Å; R616-E1310 IonicContact CZ-OE1 3.22Å; R616-E1310 IonicContact NE-OE1 3.12Å; R616-E1310 PolarHBondContact NE-OE1 3.32Å; R616-E1310 IonicContact NE-OE2 3.13Å; R616-E1310 IonicContact NH2-OE1 3.9Å; R616-E1310 PolarHBondContact NH2-OE1 3.09Å; E1308-E1310 PolarHBondContact O-N 3.49Å
1311	W	70.4	Confident	86.9	Confident	107 Å²	107	65.3 Å²	65.3	41%	0.405	34%	0.336	S	S	.	.	S	Bend	trans	-124.6	13.2	-177.1	-52.4	89.6	0	0	0	111.9	P615 P1165 P1306 E1308 V1313	P615-W1311 HydrophobicContact CG-CZ2 4.18Å; P615-W1311 VanDerWaalsContact CG-NE1 3.26Å; P1165-W1311 HydrophobicContact CG-CE3 3.78Å; P1165-W1311 HydrophobicContact CG-CZ3 3.78Å; P1306-W1311 HydrophobicContact CB-CB 4.49Å; P1306-W1311 VanDerWaalsContact CG-O 3.25Å; P1306-W1311 WeakPolarHBondContact CG-O 3.34Å; E1308-W1311 CarbonylContact O-C 3.55Å; E1308-W1311 PolarHBondContact O-N 2.8Å; W1311-V1313 PolarHBondContact O-N 3.22Å
1312	K	78.1	Confident	87.1	Confident	124 Å²	124	67.4 Å²	67.4	54%	0.539	35%	0.347	S	S	.	.			trans	-72.4	109.3	-173	-175	172	-177	173.4	0	110.7	E1308 T1314	E1308-K1312 PolarHBondContact O-N 2.7Å; K1312-T1314 PolarHBondContact O-N 3.2Å
1313	V	89.3	Confident	87.3	Confident	14 Å²	14	66.7 Å²	66.7	9%	0.085	33%	0.332	C	S	.	.			trans	-54.2	133.3	174.7	-176.9	0	0	0	0	109.6	L1280 V1281 W1305 P1306 W1311 A1317 V1318 I1321	L1280-V1313 HydrophobicContact CB-CG2 4.33Å; L1280-V1313 HydrophobicContact CD1-CG1 4.12Å; V1281-V1313 HydrophobicContact CG2-CG2 3.8Å; W1305-V1313 HydrophobicContact CE3-CB 4.37Å; W1305-V1313 HydrophobicContact CE3-CG2 4.35Å; W1305-V1313 HydrophobicContact CZ3-CB 4.47Å; W1305-V1313 HydrophobicContact CZ3-CG1 4.23Å; P1306-V1313 HydrophobicContact CG-CG2 3.91Å; W1311-V1313 PolarHBondContact O-N 3.22Å; V1313-A1317 HydrophobicContact CG1-CB 3.72Å; V1313-V1318 HydrophobicContact CB-CG2 3.86Å; V1313-V1318 HydrophobicContact CG1-CG2 3.71Å; V1313-I1321 HydrophobicContact CG1-CD1 4.49Å
1314	T	90.4	Very high	87.5	Confident	48 Å²	48	65.3 Å²	65.3	29%	0.294	33%	0.325	S	S	.	.			trans	-67.5	145.3	-173.7	62.3	0	0	0	0	111.1	L1168 K1312 P1316 A1317 V1318	L1168-T1314 HydrophobicContact CD2-CG2 3.79Å; K1312-T1314 PolarHBondContact O-N 3.2Å; T1314-P1316 VanDerWaalsContact C-CD 3.48Å; T1314-A1317 WeakPolarHBondContact O-CA 3.41Å; T1314-A1317 WeakPolarHBondContact O-CB 3.38Å; T1314-A1317 PolarHBondContact O-N 3.15Å; T1314-A1317 WeakPolarHBondContact OG1-CB 3.12Å; T1314-V1318 PolarHBondContact O-N 2.88Å
1315	P	91.3	Very high	87.8	Confident	102 Å²	102	60.1 Å²	60.1	66%	0.662	30%	0.297	S	S	*	.	H	α-helix	trans	-53.9	-39.1	-176.5	-26.2	33.9	0	0	0	115.4	A1317 V1318 D1319	P1315-A1317 VanDerWaalsContact C-N 3.31Å; P1315-A1317 PolarHBondContact O-N 3.39Å; P1315-V1318 PolarHBondContact O-N 3.13Å; P1315-D1319 WeakPolarHBondContact O-CB 3.25Å; P1315-D1319 PolarHBondContact O-N 3.38Å
1316	P	93.4	Very high	88	Confident	44 Å²	44	60.1 Å²	60.1	29%	0.286	30%	0.3	S	S	.	.	H	α-helix	trans	-65.2	-31.1	174	-22.5	35.2	0	0	0	113.8	T1314 L1320 V1346 F1347	T1314-P1316 VanDerWaalsContact C-CD 3.48Å; P1316-L1320 WeakPolarHBondContact O-CB 3.45Å; P1316-L1320 PolarHBondContact O-N 3.37Å; P1316-V1346 HydrophobicContact CB-CB 4.43Å; P1316-V1346 HydrophobicContact CB-CG1 4.35Å; P1316-V1346 HydrophobicContact CG-CG1 4.33Å; P1316-F1347 HydrophobicContact CB-CB 4.16Å
1317	A	94.1	Very high	88.4	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-74.9	-41.2	175.7	0	0	0	0	0	111.7	L1280 V1313 T1314 P1315 D1319 L1320 I1321 F1347	L1280-A1317 HydrophobicContact CD1-CB 3.67Å; V1313-A1317 HydrophobicContact CG1-CB 3.72Å; T1314-A1317 WeakPolarHBondContact O-CA 3.41Å; T1314-A1317 WeakPolarHBondContact O-CB 3.38Å; T1314-A1317 PolarHBondContact O-N 3.15Å; T1314-A1317 WeakPolarHBondContact OG1-CB 3.12Å; P1315-A1317 VanDerWaalsContact C-N 3.31Å; P1315-A1317 PolarHBondContact O-N 3.39Å; A1317-D1319 VanDerWaalsContact C-N 3.33Å; A1317-D1319 PolarHBondContact O-N 3.09Å; A1317-L1320 PolarHBondContact O-N 3.38Å; A1317-I1321 WeakPolarHBondContact O-CB 3.26Å; A1317-I1321 WeakPolarHBondContact O-CD1 3.16Å; A1317-I1321 VanDerWaalsContact O-CG1 3.24Å; A1317-I1321 WeakPolarHBondContact O-CG1 3.31Å; A1317-I1321 PolarHBondContact O-N 2.81Å; A1317-F1347 HydrophobicContact CB-CD2 3.64Å; A1317-F1347 HydrophobicContact CB-CE2 3.61Å
1318	V	95.2	Very high	89.1	Confident	41 Å²	41	57 Å²	57	25%	0.248	28%	0.282	C	S	.	.	H	α-helix	trans	-57.3	-46.9	173.1	175.1	0	0	0	0	110.5	W1305 V1313 T1314 P1315 T1322	W1305-V1318 HydrophobicContact CD2-CG1 4.26Å; W1305-V1318 HydrophobicContact CD2-CG2 4.43Å; W1305-V1318 HydrophobicContact CE3-CG1 4.48Å; W1305-V1318 HydrophobicContact CE3-CG2 3.99Å; W1305-V1318 HydrophobicContact CH2-CB 4.32Å; W1305-V1318 HydrophobicContact CH2-CG1 4.06Å; W1305-V1318 HydrophobicContact CH2-CG2 4.41Å; W1305-V1318 HydrophobicContact CZ2-CG1 3.82Å; W1305-V1318 HydrophobicContact CZ3-CB 4.39Å; W1305-V1318 HydrophobicContact CZ3-CG1 4.39Å; W1305-V1318 HydrophobicContact CZ3-CG2 3.99Å; V1313-V1318 HydrophobicContact CB-CG2 3.86Å; V1313-V1318 HydrophobicContact CG1-CG2 3.71Å; T1314-V1318 PolarHBondContact O-N 2.88Å; P1315-V1318 PolarHBondContact O-N 3.13Å; V1318-T1322 VanDerWaalsContact O-CB 3.25Å; V1318-T1322 WeakPolarHBondContact O-CB 3.42Å; V1318-T1322 PolarHBondContact O-N 3.49Å; V1318-T1322 PolarHBondContact O-OG1 2.89Å
1319	D	95	Very high	89.9	Confident	67 Å²	67	55.9 Å²	55.9	36%	0.358	28%	0.278	S	S	.	.	H	α-helix	trans	-62.4	-49.7	176.4	168.7	63	0	0	0	112.5	P1315 A1317 I1321 T1322 R1323	P1315-D1319 WeakPolarHBondContact O-CB 3.25Å; P1315-D1319 PolarHBondContact O-N 3.38Å; A1317-D1319 VanDerWaalsContact C-N 3.33Å; A1317-D1319 PolarHBondContact O-N 3.09Å; D1319-I1321 PolarHBondContact O-N 3.35Å; D1319-T1322 PolarHBondContact O-N 2.86Å; D1319-R1323 VanDerWaalsContact CG-NE 3.31Å; D1319-R1323 WeakPolarHBondContact O-CG 3.5Å; D1319-R1323 PolarHBondContact O-N 2.86Å; D1319-R1323 IonicContact OD1-CZ 3.9Å; D1319-R1323 IonicContact OD1-NE 2.72Å; D1319-R1323 PolarHBondContact OD1-NE 2.9Å; D1319-R1323 IonicContact OD2-CZ 2.78Å; D1319-R1323 VanDerWaalsContact OD2-CZ 3.27Å; D1319-R1323 IonicContact OD2-NE 2.7Å; D1319-R1323 PolarHBondContact OD2-NE 3.29Å; D1319-R1323 IonicContact OD2-NH2 3.52Å; D1319-R1323 PolarHBondContact OD2-NH2 3.18Å
1320	L	96.9	Very high	91	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-57.2	-50.6	177.5	174.1	58.9	0	0	0	112	F1175 L1276 P1316 A1317 T1322 R1323 L1324 L1333 V1342 T1345 F1347 F1348	F1175-L1320 HydrophobicContact CE1-CD2 4.45Å; L1276-L1320 HydrophobicContact CD2-CD2 3.58Å; L1276-L1320 HydrophobicContact CD2-CG 4Å; P1316-L1320 WeakPolarHBondContact O-CB 3.45Å; P1316-L1320 PolarHBondContact O-N 3.37Å; A1317-L1320 PolarHBondContact O-N 3.38Å; L1320-T1322 VanDerWaalsContact C-N 3.34Å; L1320-T1322 PolarHBondContact O-N 3.12Å; L1320-R1323 PolarHBondContact O-N 2.89Å; L1320-L1324 HydrophobicContact CD1-CD1 3.69Å; L1320-L1324 HydrophobicContact CD1-CG 4.1Å; L1320-L1324 HydrophobicContact CG-CD1 3.85Å; L1320-L1324 VanDerWaalsContact O-CG 3.3Å; L1320-L1324 WeakPolarHBondContact O-CG 3.1Å; L1320-L1324 PolarHBondContact O-N 3.06Å; L1320-L1333 HydrophobicContact CD1-CD2 3.55Å; L1320-V1342 HydrophobicContact CD1-CG1 4.43Å; L1320-T1345 HydrophobicContact CD1-CG2 3.98Å; L1320-F1347 HydrophobicContact CB-CB 4.32Å; L1320-F1347 HydrophobicContact CD2-CB 3.81Å; L1320-F1347 HydrophobicContact CD2-CD1 3.32Å; L1320-F1347 HydrophobicContact CD2-CE1 4.02Å; L1320-F1347 HydrophobicContact CD2-CG 3.72Å; L1320-F1348 HydrophobicContact CD2-CE2 3.82Å; L1320-F1348 HydrophobicContact CD2-CZ 3.89Å
1321	I	97.7	Very high	92.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-44.2	177.6	-67.4	162.8	0	0	0	110.4	L1276 Y1277 L1280 W1305 V1313 A1317 D1319 R1323 L1324 L1325	L1276-I1321 HydrophobicContact CB-CD1 4.49Å; L1276-I1321 HydrophobicContact CB-CG1 4.04Å; L1276-I1321 HydrophobicContact CD2-CD1 4.47Å; L1276-I1321 HydrophobicContact CD2-CG1 3.82Å; L1276-I1321 HydrophobicContact CG-CD1 4.09Å; L1276-I1321 HydrophobicContact CG-CG1 3.83Å; Y1277-I1321 HydrophobicContact CD2-CG2 4.41Å; L1280-I1321 HydrophobicContact CD1-CD1 4.33Å; W1305-I1321 HydrophobicContact CH2-CB 3.86Å; W1305-I1321 HydrophobicContact CH2-CD1 4.13Å; W1305-I1321 HydrophobicContact CH2-CG2 3.66Å; W1305-I1321 HydrophobicContact CZ2-CG2 4.46Å; W1305-I1321 HydrophobicContact CZ3-CD1 4.06Å; W1305-I1321 HydrophobicContact CZ3-CG2 4.49Å; V1313-I1321 HydrophobicContact CG1-CD1 4.49Å; A1317-I1321 WeakPolarHBondContact O-CB 3.26Å; A1317-I1321 WeakPolarHBondContact O-CD1 3.16Å; A1317-I1321 VanDerWaalsContact O-CG1 3.24Å; A1317-I1321 WeakPolarHBondContact O-CG1 3.31Å; A1317-I1321 PolarHBondContact O-N 2.81Å; D1319-I1321 PolarHBondContact O-N 3.35Å; I1321-R1323 VanDerWaalsContact C-N 3.31Å; I1321-R1323 PolarHBondContact O-N 3.3Å; I1321-L1324 PolarHBondContact O-N 2.7Å; I1321-L1325 HydrophobicContact CG2-CD1 3.69Å; I1321-L1325 HydrophobicContact CG2-CG 4.18Å; I1321-L1325 WeakPolarHBondContact O-CB 3.34Å; I1321-L1325 WeakPolarHBondContact O-CG 3.4Å; I1321-L1325 PolarHBondContact O-N 3.49Å
1322	T	96.9	Very high	93.5	Very high	63 Å²	63	46.9 Å²	46.9	39%	0.387	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-39.5	-179.8	-59.1	0	0	0	0	111.7	V1318 D1319 L1320 L1325 E1326	V1318-T1322 VanDerWaalsContact O-CB 3.25Å; V1318-T1322 WeakPolarHBondContact O-CB 3.42Å; V1318-T1322 PolarHBondContact O-N 3.49Å; V1318-T1322 PolarHBondContact O-OG1 2.89Å; D1319-T1322 PolarHBondContact O-N 2.86Å; L1320-T1322 VanDerWaalsContact C-N 3.34Å; L1320-T1322 PolarHBondContact O-N 3.12Å; T1322-L1325 CarbonylContact O-C 3.59Å; T1322-L1325 PolarHBondContact O-N 3.24Å; T1322-E1326 PolarHBondContact O-N 2.93Å
1323	R	96.9	Very high	94.3	Very high	80 Å²	80	41.7 Å²	41.7	30%	0.302	22%	0.223	S	C	.	.	H	α-helix	trans	-75.8	-23.5	177.6	-66.1	-171.4	-73.9	117.9	-1.5	113.5	D1319 L1320 I1321 L1333	D1319-R1323 VanDerWaalsContact CG-NE 3.31Å; D1319-R1323 WeakPolarHBondContact O-CG 3.5Å; D1319-R1323 PolarHBondContact O-N 2.86Å; D1319-R1323 IonicContact OD1-CZ 3.9Å; D1319-R1323 IonicContact OD1-NE 2.72Å; D1319-R1323 PolarHBondContact OD1-NE 2.9Å; D1319-R1323 IonicContact OD2-CZ 2.78Å; D1319-R1323 VanDerWaalsContact OD2-CZ 3.27Å; D1319-R1323 IonicContact OD2-NE 2.7Å; D1319-R1323 PolarHBondContact OD2-NE 3.29Å; D1319-R1323 IonicContact OD2-NH2 3.52Å; D1319-R1323 PolarHBondContact OD2-NH2 3.18Å; L1320-R1323 PolarHBondContact O-N 2.89Å; I1321-R1323 VanDerWaalsContact C-N 3.31Å; I1321-R1323 PolarHBondContact O-N 3.3Å; R1323-L1333 HydrophobicContact CB-CB 4.07Å; R1323-L1333 HydrophobicContact CB-CD2 4.42Å; R1323-L1333 VanDerWaalsContact NH1-CD1 3.29Å; R1323-L1333 WeakPolarHBondContact O-CB 3.33Å; R1323-L1333 PolarHBondContact O-N 2.95Å
1324	L	97.8	Very high	94.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-81.4	-31.1	170.8	-69.8	165.8	0	0	0	112.9	F1175 W1269 L1320 I1321 E1326 R1332 L1333 V1342	F1175-L1324 HydrophobicContact CE2-CD1 4.12Å; F1175-L1324 HydrophobicContact CZ-CD1 3.63Å; W1269-L1324 HydrophobicContact CB-CD2 4.03Å; L1320-L1324 HydrophobicContact CD1-CD1 3.69Å; L1320-L1324 HydrophobicContact CD1-CG 4.1Å; L1320-L1324 HydrophobicContact CG-CD1 3.85Å; L1320-L1324 VanDerWaalsContact O-CG 3.3Å; L1320-L1324 WeakPolarHBondContact O-CG 3.1Å; L1320-L1324 PolarHBondContact O-N 3.06Å; I1321-L1324 PolarHBondContact O-N 2.7Å; L1324-E1326 VanDerWaalsContact C-N 3.31Å; L1324-R1332 WeakPolarHBondContact O-CD 3.35Å; L1324-R1332 VanDerWaalsContact O-CG 3.22Å; L1324-R1332 WeakPolarHBondContact O-CG 3.42Å; L1324-L1333 HydrophobicContact CD2-CB 4.12Å; L1324-L1333 HydrophobicContact CD2-CD2 4.35Å; L1324-L1333 HydrophobicContact CG-CB 4.48Å; L1324-L1333 HydrophobicContact CG-CD2 4.41Å; L1324-V1342 HydrophobicContact CD2-CG2 4.47Å
1325	L	97.6	Very high	94.4	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.031	21%	0.211	C	C	.	.	S	Bend	trans	-94.8	23	176.3	-63.1	-175.9	0	0	0	113.1	W1270 I1274 P1285 F1286 I1303 I1321 T1322	W1270-L1325 HydrophobicContact CD2-CD2 3.76Å; W1270-L1325 HydrophobicContact CE3-CB 4.49Å; W1270-L1325 HydrophobicContact CE3-CD2 3.96Å; W1270-L1325 HydrophobicContact CG-CD2 4.23Å; W1270-L1325 HydrophobicContact CH2-CD2 4.33Å; W1270-L1325 HydrophobicContact CZ2-CD2 4.14Å; W1270-L1325 HydrophobicContact CZ3-CB 4.23Å; W1270-L1325 HydrophobicContact CZ3-CD2 4.25Å; W1270-L1325 VanDerWaalsContact CZ3-O 3.23Å; W1270-L1325 WeakPolarHBondContact CZ3-O 3.02Å; W1270-L1325 WeakPolarHBondContact O-CD2 3.45Å; I1274-L1325 HydrophobicContact CD1-CD1 4.17Å; I1274-L1325 HydrophobicContact CD1-CD2 3.6Å; I1274-L1325 HydrophobicContact CG1-CD2 3.85Å; P1285-L1325 HydrophobicContact CG-CD1 3.98Å; F1286-L1325 HydrophobicContact CE2-CD1 4.47Å; I1303-L1325 HydrophobicContact CD1-CB 3.75Å; I1303-L1325 HydrophobicContact CD1-CD1 3.92Å; I1303-L1325 HydrophobicContact CD1-CG 4.46Å; I1303-L1325 HydrophobicContact CG1-CD1 4.43Å; I1321-L1325 HydrophobicContact CG2-CD1 3.69Å; I1321-L1325 HydrophobicContact CG2-CG 4.18Å; I1321-L1325 WeakPolarHBondContact O-CB 3.34Å; I1321-L1325 WeakPolarHBondContact O-CG 3.4Å; I1321-L1325 PolarHBondContact O-N 3.49Å; T1322-L1325 CarbonylContact O-C 3.59Å; T1322-L1325 PolarHBondContact O-N 3.24Å
1326	E	96.4	Very high	94	Very high	77 Å²	77	40.4 Å²	40.4	36%	0.36	21%	0.208	S	C	.	.			trans	-67	135.5	166.5	179.9	51.5	-97.7	0	0	110	T1322 L1324 D1328 L1331 R1332	T1322-E1326 PolarHBondContact O-N 2.93Å; L1324-E1326 VanDerWaalsContact C-N 3.31Å; E1326-D1328 PolarHBondContact OE1-N 3.37Å; E1326-L1331 HydrophobicContact CG-CB 3.7Å; E1326-R1332 HydrophobicContact CB-CB 4.33Å; E1326-R1332 PolarHBondContact O-NE 2.74Å; E1326-R1332 PolarHBondContact O-NH2 2.82Å
1327	R	94.5	Very high	93.5	Very high	70 Å²	70	40 Å²	40	26%	0.264	21%	0.211	S	C	.	.	S	Bend	trans	-82.5	-28.8	-171.2	-69.7	-174.3	155.8	101.2	0.6	112.8	P1255 W1270 N1297 I1298 V1299 A1301 P1329	P1255-R1327 HydrophobicContact CG-CG 4.32Å; W1270-R1327 HydrophobicContact CH2-CG 4.42Å; W1270-R1327 HydrophobicContact CZ3-CG 4.21Å; N1297-R1327 PolarHBondContact O-NH2 2.93Å; I1298-R1327 PolarHBondContact O-NE 3.48Å; I1298-R1327 PolarHBondContact O-NH2 2.69Å; V1299-R1327 WeakPolarHBondContact O-CD 3.32Å; V1299-R1327 PolarHBondContact O-NE 3.38Å; V1299-R1327 VanDerWaalsContact O-NE 3.08Å; A1301-R1327 PolarHBondContact O-NH1 3.02Å; A1301-R1327 PolarHBondContact O-NH2 3.48Å; R1327-P1329 WeakPolarHBondContact O-CD 3.29Å
1328	D	91.6	Very high	93.2	Very high	66 Å²	66	41.2 Å²	41.2	35%	0.353	22%	0.224	S	C	.	.	S	Bend	trans	-79.8	113	168.3	-170.4	-22.4	0	0	0	109.7	E1326 L1330 L1331 R1332	E1326-D1328 PolarHBondContact OE1-N 3.37Å; D1328-L1330 PolarHBondContact O-N 2.91Å; D1328-L1330 VanDerWaalsContact O-N 3.09Å; D1328-L1330 WeakPolarHBondContact OD1-CB 3.27Å; D1328-L1330 PolarHBondContact OD1-N 3.37Å; D1328-L1331 HydrophobicContact CB-CB 4.23Å; D1328-L1331 HydrophobicContact CB-CD1 4.1Å; D1328-L1331 HydrophobicContact CB-CG 4.09Å; D1328-L1331 PolarHBondContact O-N 3.41Å; D1328-R1332 PolarHBondContact O-N 2.94Å; D1328-R1332 VanDerWaalsContact O-N 3.1Å
1329	P	92.1	Very high	93	Very high	14 Å²	14	39.8 Å²	39.8	9%	0.091	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-7.1	180	30.1	-36.9	0	0	0	113.8	E1256 P1266 R1327 T1335	E1256-P1329 HydrophobicContact CB-CG 4.27Å; E1256-P1329 HydrophobicContact CG-CB 4.46Å; E1256-P1329 HydrophobicContact CG-CG 4.29Å; P1266-P1329 HydrophobicContact CB-CB 4.03Å; P1266-P1329 HydrophobicContact CG-CB 4.46Å; R1327-P1329 WeakPolarHBondContact O-CD 3.29Å; P1329-T1335 WeakPolarHBondContact O-CG2 3.5Å; P1329-T1335 PolarHBondContact O-OG1 3.38Å
1330	L	89.7	Confident	92.9	Very high	43 Å²	43	39 Å²	39	23%	0.225	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-26.7	167.4	-69.2	-164.3	0	0	0	113.6	L1234 C1238 D1328 H2522	L1234-L1330 HydrophobicContact CD2-CD2 4.33Å; C1238-L1330 HydrophobicContact CB-CD2 4.21Å; D1328-L1330 PolarHBondContact O-N 2.91Å; D1328-L1330 VanDerWaalsContact O-N 3.09Å; D1328-L1330 WeakPolarHBondContact OD1-CB 3.27Å; D1328-L1330 PolarHBondContact OD1-N 3.37Å; L1330-H2522 WeakPolarHBondContact CD1-NE2 3.46Å
1331	L	93	Very high	92.7	Very high	123 Å²	123	41 Å²	41	64%	0.644	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-13.1	-178.4	-59.5	-179.5	0	0	0	112.4	E1326 D1328	E1326-L1331 HydrophobicContact CG-CB 3.7Å; D1328-L1331 HydrophobicContact CB-CB 4.23Å; D1328-L1331 HydrophobicContact CB-CD1 4.1Å; D1328-L1331 HydrophobicContact CB-CG 4.09Å; D1328-L1331 PolarHBondContact O-N 3.41Å
1332	R	96.5	Very high	92.6	Very high	2 Å²	2	41 Å²	41	1%	0.008	23%	0.226	C	C	.	.	S	Bend	trans	-65	133.2	176.9	-167.4	179.6	-59.1	144.6	8.7	111.8	E1256 P1266 L1324 E1326 D1328 T1335	E1256-R1332 IonicContact OE1-CZ 3.99Å; E1256-R1332 IonicContact OE1-NH1 3.41Å; E1256-R1332 PolarHBondContact OE1-NH1 3.26Å; E1256-R1332 IonicContact OE1-NH2 3.27Å; E1256-R1332 IonicContact OE2-CZ 3.66Å; E1256-R1332 IonicContact OE2-NH1 3.46Å; E1256-R1332 PolarHBondContact OE2-NH1 2.82Å; E1256-R1332 IonicContact OE2-NH2 2.78Å; E1256-R1332 PolarHBondContact OE2-NH2 3.01Å; P1266-R1332 WeakPolarHBondContact O-CD 3.49Å; P1266-R1332 PolarHBondContact O-NH1 3.32Å; L1324-R1332 WeakPolarHBondContact O-CD 3.35Å; L1324-R1332 VanDerWaalsContact O-CG 3.22Å; L1324-R1332 WeakPolarHBondContact O-CG 3.42Å; E1326-R1332 HydrophobicContact CB-CB 4.33Å; E1326-R1332 PolarHBondContact O-NE 2.74Å; E1326-R1332 PolarHBondContact O-NH2 2.82Å; D1328-R1332 PolarHBondContact O-N 2.94Å; D1328-R1332 VanDerWaalsContact O-N 3.1Å; R1332-T1335 VanDerWaalsContact O-CB 3.22Å; R1332-T1335 WeakPolarHBondContact O-CB 3.28Å; R1332-T1335 PolarHBondContact O-N 3.08Å; R1332-T1335 PolarHBondContact O-OG1 2.77Å
1333	L	94.9	Very high	92.5	Very high	16 Å²	16	39.7 Å²	39.7	8%	0.084	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	140.7	177.5	-168.5	67.2	0	0	0	111.9	W1269 L1320 R1323 L1324 E1341 V1342 T1345	W1269-L1333 WeakPolarHBondContact CB-O 3.46Å; L1320-L1333 HydrophobicContact CD1-CD2 3.55Å; R1323-L1333 HydrophobicContact CB-CB 4.07Å; R1323-L1333 HydrophobicContact CB-CD2 4.42Å; R1323-L1333 VanDerWaalsContact NH1-CD1 3.29Å; R1323-L1333 WeakPolarHBondContact O-CB 3.33Å; R1323-L1333 PolarHBondContact O-N 2.95Å; L1324-L1333 HydrophobicContact CD2-CB 4.12Å; L1324-L1333 HydrophobicContact CD2-CD2 4.35Å; L1324-L1333 HydrophobicContact CG-CB 4.48Å; L1324-L1333 HydrophobicContact CG-CD2 4.41Å; L1333-E1341 HydrophobicContact CD1-CB 3.59Å; L1333-E1341 HydrophobicContact CG-CB 4.28Å; L1333-V1342 HydrophobicContact CD2-CG2 4.25Å; L1333-V1342 HydrophobicContact CG-CG2 4.11Å; L1333-T1345 HydrophobicContact CD2-CG2 3.7Å
1334	G	92.3	Very high	92.3	Very high	3 Å²	3	42.9 Å²	42.9	3%	0.031	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	6.4	-177.2	0	0	0	0	0	113.9	W1269 G1338 E1341	W1269-G1334 PolarHBondContact NE1-O 3.18Å; G1334-G1338 WeakPolarHBondContact CA-O 3.35Å; G1334-G1338 WeakPolarHBondContact O-CA 3.01Å; G1334-E1341 VanDerWaalsContact CA-OE2 3.31Å; G1334-E1341 WeakPolarHBondContact CA-OE2 3.47Å; G1334-E1341 PolarHBondContact N-OE2 2.72Å
1335	T	89.5	Confident	92	Very high	17 Å²	17	43.1 Å²	43.1	10%	0.104	23%	0.234	C	C	.	.	S	Bend	trans	-94.5	-43.6	-174.1	-58.1	0	0	0	0	113.3	L1234 C1238 P1266 P1329 R1332 E1341	L1234-T1335 HydrophobicContact CD2-CG2 4.18Å; L1234-T1335 HydrophobicContact CG-CG2 4.41Å; C1238-T1335 WeakPolarHBondContact SG-CG2 3.18Å; P1266-T1335 HydrophobicContact CG-CG2 3.95Å; P1329-T1335 WeakPolarHBondContact O-CG2 3.5Å; P1329-T1335 PolarHBondContact O-OG1 3.38Å; R1332-T1335 VanDerWaalsContact O-CB 3.22Å; R1332-T1335 WeakPolarHBondContact O-CB 3.28Å; R1332-T1335 PolarHBondContact O-N 3.08Å; R1332-T1335 PolarHBondContact O-OG1 2.77Å; T1335-E1341 PolarHBondContact N-OE2 2.65Å
1336	I	83	Confident	91.8	Very high	117 Å²	117	47.4 Å²	47.4	60%	0.6	26%	0.26	S	S	*	.	S	Bend	trans	-88.3	-57.1	-173.8	-61.1	160.9	0	0	0	109.9	L1234 E1341	L1234-I1336 HydrophobicContact CD2-CG1 3.67Å; I1336-E1341 VanDerWaalsContact CB-OE1 3.32Å; I1336-E1341 WeakPolarHBondContact CB-OE1 3.49Å
1337	G	81.4	Confident	91.6	Very high	34 Å²	34	44 Å²	44	35%	0.351	24%	0.244	S	C	.	.	S	Bend	trans	-88	1.4	176.6	0	0	0	0	0	115.7	S1340 E1341	G1337-S1340 PolarHBondContact O-OG 2.94Å; G1337-E1341 PolarHBondContact N-OE1 2.79Å
1338	G	87.9	Confident	91.6	Very high	26 Å²	26	40.9 Å²	40.9	27%	0.268	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	-148.1	-177.2	0	0	0	0	0	112.8	G1334 S1340 E1341	G1334-G1338 WeakPolarHBondContact CA-O 3.35Å; G1334-G1338 WeakPolarHBondContact O-CA 3.01Å; G1338-S1340 PolarHBondContact O-N 3.25Å; G1338-S1340 VanDerWaalsContact O-N 3.08Å; G1338-E1341 PolarHBondContact O-N 2.76Å
1339	S	92.2	Very high	91.4	Very high	12 Å²	12	41 Å²	41	8%	0.084	24%	0.239	C	C	.	.	H	α-helix	trans	-50.7	-31.8	177.1	44.3	0	0	0	0	114.2	E1183 E1341 V1342 K1343	E1183-S1339 WeakPolarHBondContact CG-OG 3.44Å; E1183-S1339 VanDerWaalsContact OE1-CB 3.32Å; E1183-S1339 WeakPolarHBondContact OE1-CB 3.46Å; E1183-S1339 PolarHBondContact OE1-OG 2.88Å; S1339-E1341 VanDerWaalsContact C-N 3.34Å; S1339-E1341 PolarHBondContact O-N 2.64Å; S1339-V1342 WeakPolarHBondContact O-CB 3.49Å; S1339-V1342 PolarHBondContact O-N 2.87Å; S1339-V1342 VanDerWaalsContact O-N 3.13Å; S1339-K1343 WeakPolarHBondContact O-CG 3.24Å; S1339-K1343 PolarHBondContact O-N 2.83Å
1340	S	92.3	Very high	90.8	Very high	50 Å²	50	42.8 Å²	42.8	35%	0.35	26%	0.26	S	S	.	.	H	α-helix	trans	-53.9	-46.4	-179.9	-30.4	0	0	0	0	112.5	G1337 G1338 V1342 K1343 E1344	G1337-S1340 PolarHBondContact O-OG 2.94Å; G1338-S1340 PolarHBondContact O-N 3.25Å; G1338-S1340 VanDerWaalsContact O-N 3.08Å; S1340-V1342 PolarHBondContact O-N 2.68Å; S1340-K1343 WeakPolarHBondContact O-CB 3.25Å; S1340-K1343 PolarHBondContact O-N 2.65Å; S1340-K1343 VanDerWaalsContact O-N 3.08Å; S1340-E1344 WeakPolarHBondContact CB-OE1 3.24Å; S1340-E1344 WeakPolarHBondContact O-CB 3.47Å; S1340-E1344 VanDerWaalsContact O-CG 3.28Å; S1340-E1344 WeakPolarHBondContact O-CG 3.33Å; S1340-E1344 PolarHBondContact O-N 3.33Å
1341	E	93.3	Very high	89.7	Confident	43 Å²	43	47.1 Å²	47.1	20%	0.201	29%	0.29	C	S	.	.	H	α-helix	trans	-62.9	-30.5	-178.5	-50.7	-177.6	148.3	0	0	112.8	L1333 G1334 T1335 I1336 G1337 G1338 S1339 T1345	L1333-E1341 HydrophobicContact CD1-CB 3.59Å; L1333-E1341 HydrophobicContact CG-CB 4.28Å; G1334-E1341 VanDerWaalsContact CA-OE2 3.31Å; G1334-E1341 WeakPolarHBondContact CA-OE2 3.47Å; G1334-E1341 PolarHBondContact N-OE2 2.72Å; T1335-E1341 PolarHBondContact N-OE2 2.65Å; I1336-E1341 VanDerWaalsContact CB-OE1 3.32Å; I1336-E1341 WeakPolarHBondContact CB-OE1 3.49Å; G1337-E1341 PolarHBondContact N-OE1 2.79Å; G1338-E1341 PolarHBondContact O-N 2.76Å; S1339-E1341 VanDerWaalsContact C-N 3.34Å; S1339-E1341 PolarHBondContact O-N 2.64Å; E1341-T1345 WeakPolarHBondContact O-CG2 3.41Å
1342	V	95.6	Very high	88.6	Confident	0 Å²	0	44 Å²	44	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-74.3	-46.1	176.9	-174.5	0	0	0	0	109.2	F1175 V1179 W1269 L1320 L1324 L1333 S1339 S1340 E1344 T1345 F1348	F1175-V1342 HydrophobicContact CE1-CG1 3.8Å; F1175-V1342 HydrophobicContact CZ-CG1 4.31Å; V1179-V1342 HydrophobicContact CG2-CG1 3.86Å; W1269-V1342 HydrophobicContact CD2-CG2 4.4Å; W1269-V1342 HydrophobicContact CE3-CG2 4.14Å; W1269-V1342 HydrophobicContact CH2-CG2 4.33Å; W1269-V1342 HydrophobicContact CZ3-CG2 4.12Å; L1320-V1342 HydrophobicContact CD1-CG1 4.43Å; L1324-V1342 HydrophobicContact CD2-CG2 4.47Å; L1333-V1342 HydrophobicContact CD2-CG2 4.25Å; L1333-V1342 HydrophobicContact CG-CG2 4.11Å; S1339-V1342 WeakPolarHBondContact O-CB 3.49Å; S1339-V1342 PolarHBondContact O-N 2.87Å; S1339-V1342 VanDerWaalsContact O-N 3.13Å; S1340-V1342 PolarHBondContact O-N 2.68Å; V1342-E1344 VanDerWaalsContact C-N 3.33Å; V1342-E1344 PolarHBondContact O-N 3.44Å; V1342-T1345 WeakPolarHBondContact O-CG2 3.47Å; V1342-T1345 PolarHBondContact O-N 2.8Å; V1342-T1345 PolarHBondContact O-OG1 3.18Å; V1342-F1348 HydrophobicContact CG1-CE2 4.24Å; V1342-F1348 VanDerWaalsContact O-CD2 3.25Å; V1342-F1348 WeakPolarHBondContact O-CD2 3.48Å; V1342-F1348 WeakPolarHBondContact O-CE2 3.47Å
1343	K	95.1	Very high	87.8	Confident	34 Å²	34	46.3 Å²	46.3	15%	0.148	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-36.6	179.1	-67.9	177.5	170.7	177.9	0	113.6	V1179 E1183 S1339 S1340 T1345 W1356	V1179-K1343 HydrophobicContact CG1-CG 4.1Å; E1183-K1343 WeakPolarHBondContact OE1-CE 3.38Å; E1183-K1343 IonicContact OE1-NZ 2.72Å; E1183-K1343 PolarHBondContact OE1-NZ 3.05Å; E1183-K1343 IonicContact OE2-NZ 3.78Å; E1183-K1343 PolarHBondContact OE2-NZ 2.93Å; S1339-K1343 WeakPolarHBondContact O-CG 3.24Å; S1339-K1343 PolarHBondContact O-N 2.83Å; S1340-K1343 WeakPolarHBondContact O-CB 3.25Å; S1340-K1343 PolarHBondContact O-N 2.65Å; S1340-K1343 VanDerWaalsContact O-N 3.08Å; K1343-T1345 PolarHBondContact O-N 3.49Å; K1343-W1356 HydrophobicContact CB-CD2 4.25Å; K1343-W1356 HydrophobicContact CB-CH2 4.43Å; K1343-W1356 HydrophobicContact CB-CZ2 3.85Å; K1343-W1356 HydrophobicContact CD-CD2 4.01Å; K1343-W1356 HydrophobicContact CD-CE3 4.11Å; K1343-W1356 HydrophobicContact CD-CG 4.35Å; K1343-W1356 HydrophobicContact CD-CZ3 4.5Å; K1343-W1356 HydrophobicContact CG-CD2 3.77Å; K1343-W1356 HydrophobicContact CG-CE3 3.9Å; K1343-W1356 HydrophobicContact CG-CG 4.47Å; K1343-W1356 HydrophobicContact CG-CH2 3.8Å; K1343-W1356 HydrophobicContact CG-CZ2 3.69Å; K1343-W1356 HydrophobicContact CG-CZ3 3.89Å
1344	E	91.5	Very high	87.5	Confident	147 Å²	147	46.2 Å²	46.2	69%	0.687	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-3.4	-179.4	-72	160.6	-154.1	0	0	113.5	S1340 V1342	S1340-E1344 WeakPolarHBondContact CB-OE1 3.24Å; S1340-E1344 WeakPolarHBondContact O-CB 3.47Å; S1340-E1344 VanDerWaalsContact O-CG 3.28Å; S1340-E1344 WeakPolarHBondContact O-CG 3.33Å; S1340-E1344 PolarHBondContact O-N 3.33Å; V1342-E1344 VanDerWaalsContact C-N 3.33Å; V1342-E1344 PolarHBondContact O-N 3.44Å
1345	T	92.1	Very high	87.4	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.031	32%	0.322	C	S	.	.	S	Bend	trans	-73.1	146	-179.5	63.9	0	0	0	0	113.8	L1320 L1333 E1341 V1342 K1343 F1347 F1348	L1320-T1345 HydrophobicContact CD1-CG2 3.98Å; L1333-T1345 HydrophobicContact CD2-CG2 3.7Å; E1341-T1345 WeakPolarHBondContact O-CG2 3.41Å; V1342-T1345 WeakPolarHBondContact O-CG2 3.47Å; V1342-T1345 PolarHBondContact O-N 2.8Å; V1342-T1345 PolarHBondContact O-OG1 3.18Å; K1343-T1345 PolarHBondContact O-N 3.49Å; T1345-F1347 PolarHBondContact O-N 3.07Å; T1345-F1348 PolarHBondContact O-N 3.3Å; T1345-F1348 VanDerWaalsContact OG1-CD2 3.24Å; T1345-F1348 WeakPolarHBondContact OG1-CD2 3.3Å; T1345-F1348 VanDerWaalsContact OG1-CE2 3.31Å; T1345-F1348 WeakPolarHBondContact OG1-CE2 3.47Å
1346	V	92.4	Very high	87.5	Confident	96 Å²	96	50.8 Å²	50.8	58%	0.582	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-55.6	-24.8	-178.4	-175.6	0	0	0	0	113.1	P1316 F1348 S1349	P1316-V1346 HydrophobicContact CB-CB 4.43Å; P1316-V1346 HydrophobicContact CB-CG1 4.35Å; P1316-V1346 HydrophobicContact CG-CG1 4.33Å; V1346-F1348 PolarHBondContact O-N 2.64Å; V1346-S1349 PolarHBondContact O-N 3.2Å
1347	F	93.5	Very high	87.7	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.026	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-60.3	-26.3	175.5	177.5	-105.7	0	0	0	114.3	L1168 R1172 L1276 P1316 A1317 L1320 T1345	L1168-F1347 HydrophobicContact CD1-CE2 3.9Å; L1168-F1347 HydrophobicContact CD1-CZ 4.46Å; R1172-F1347 HydrophobicContact CB-CE1 3.96Å; R1172-F1347 HydrophobicContact CB-CZ 3.86Å; R1172-F1347 WeakPolarHBondContact CD-O 3.49Å; R1172-F1347 HydrophobicContact CG-CD1 4.24Å; R1172-F1347 HydrophobicContact CG-CE1 3.7Å; R1172-F1347 HydrophobicContact CG-CZ 4.03Å; R1172-F1347 PolarHBondContact NE-O 2.83Å; L1276-F1347 HydrophobicContact CD1-CE1 4.31Å; L1276-F1347 HydrophobicContact CD1-CZ 4.07Å; L1276-F1347 HydrophobicContact CD2-CE1 4.22Å; L1276-F1347 HydrophobicContact CD2-CZ 4.43Å; P1316-F1347 HydrophobicContact CB-CB 4.16Å; A1317-F1347 HydrophobicContact CB-CD2 3.64Å; A1317-F1347 HydrophobicContact CB-CE2 3.61Å; L1320-F1347 HydrophobicContact CB-CB 4.32Å; L1320-F1347 HydrophobicContact CD2-CB 3.81Å; L1320-F1347 HydrophobicContact CD2-CD1 3.32Å; L1320-F1347 HydrophobicContact CD2-CE1 4.02Å; L1320-F1347 HydrophobicContact CD2-CG 3.72Å; T1345-F1347 PolarHBondContact O-N 3.07Å
1348	F	93.6	Very high	88	Confident	5 Å²	5	55.2 Å²	55.2	2%	0.022	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-97.7	1.5	175.8	-55.2	-70.2	0	0	0	113.7	R1172 F1175 A1176 L1320 V1342 T1345 V1346 A1353 V1354 W1356	R1172-F1348 HydrophobicContact CG-CD1 3.8Å; R1172-F1348 HydrophobicContact CG-CE1 3.99Å; F1175-F1348 HydrophobicContact CD1-CE1 4.03Å; F1175-F1348 AromaticContact CD1-CZ 3.49Å; F1175-F1348 HydrophobicContact CD1-CZ 3.49Å; F1175-F1348 VanDerWaalsContact CD1-CZ 3.49Å; F1175-F1348 HydrophobicContact CE1-CE2 4.42Å; F1175-F1348 AromaticContact CE1-CZ 3.68Å; F1175-F1348 HydrophobicContact CE1-CZ 3.68Å; A1176-F1348 HydrophobicContact CB-CE1 4.21Å; L1320-F1348 HydrophobicContact CD2-CE2 3.82Å; L1320-F1348 HydrophobicContact CD2-CZ 3.89Å; V1342-F1348 HydrophobicContact CG1-CE2 4.24Å; V1342-F1348 VanDerWaalsContact O-CD2 3.25Å; V1342-F1348 WeakPolarHBondContact O-CD2 3.48Å; V1342-F1348 WeakPolarHBondContact O-CE2 3.47Å; T1345-F1348 PolarHBondContact O-N 3.3Å; T1345-F1348 VanDerWaalsContact OG1-CD2 3.24Å; T1345-F1348 WeakPolarHBondContact OG1-CD2 3.3Å; T1345-F1348 VanDerWaalsContact OG1-CE2 3.31Å; T1345-F1348 WeakPolarHBondContact OG1-CE2 3.47Å; V1346-F1348 PolarHBondContact O-N 2.64Å; F1348-A1353 VanDerWaalsContact O-CA 3.23Å; F1348-A1353 WeakPolarHBondContact O-CA 3.44Å; F1348-A1353 WeakPolarHBondContact O-CB 3.41Å; F1348-V1354 HydrophobicContact CB-CB 4.35Å; F1348-V1354 HydrophobicContact CB-CG2 4.39Å; F1348-V1354 HydrophobicContact CD1-CB 4.39Å; F1348-V1354 HydrophobicContact CD1-CG2 3.81Å; F1348-V1354 PolarHBondContact O-N 3.49Å; F1348-V1354 VanDerWaalsContact O-N 3.11Å; F1348-W1356 HydrophobicContact CB-CZ2 4.01Å; F1348-W1356 HydrophobicContact CD1-CH2 4.14Å; F1348-W1356 AromaticContact CD1-CZ2 3.76Å; F1348-W1356 HydrophobicContact CD1-CZ2 3.76Å; F1348-W1356 HydrophobicContact CD2-CH2 4.44Å; F1348-W1356 AromaticContact CD2-CZ2 3.8Å; F1348-W1356 HydrophobicContact CD2-CZ2 3.8Å; F1348-W1356 HydrophobicContact CE1-CH2 4.11Å; F1348-W1356 HydrophobicContact CE1-CZ2 4.17Å; F1348-W1356 HydrophobicContact CE2-CH2 4.43Å; F1348-W1356 HydrophobicContact CE2-CZ2 4.23Å; F1348-W1356 HydrophobicContact CG-CH2 4.31Å; F1348-W1356 AromaticContact CG-CZ2 3.56Å; F1348-W1356 HydrophobicContact CG-CZ2 3.56Å; F1348-W1356 HydrophobicContact CZ-CH2 4.28Å; F1348-W1356 HydrophobicContact CZ-CZ2 4.41Å
1349	S	88.5	Confident	88.1	Confident	69 Å²	69	54.1 Å²	54.1	48%	0.483	32%	0.323	S	S	.	.	S	Bend	trans	-104.7	161.4	-178.4	-61.6	0	0	0	0	112	V1346	V1346-S1349 PolarHBondContact O-N 3.2Å
1350	G	78.6	Confident	87.7	Confident	51 Å²	51	57.5 Å²	57.5	53%	0.526	34%	0.34	S	S	.	.	S	Bend	trans	87.6	-150.9	175	0	0	0	0	0	114.5	G1352 A1353	G1350-G1352 PolarHBondContact O-N 3.44Å; G1350-G1352 VanDerWaalsContact O-N 3.15Å; G1350-A1353 WeakPolarHBondContact O-CB 3.28Å; G1350-A1353 PolarHBondContact O-N 3.1Å
1351	P	67.3	Low	87.3	Confident	133 Å²	133	65.4 Å²	65.4	86%	0.864	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	114.9	-177.6	-21.9	33.9	0	0	0	111.5
1352	G	69.1	Low	86.8	Confident	57 Å²	57	66.1 Å²	66.1	59%	0.588	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	30.2	-171.6	0	0	0	0	0	114	G1350	G1350-G1352 PolarHBondContact O-N 3.44Å; G1350-G1352 VanDerWaalsContact O-N 3.15Å
1353	A	79.7	Confident	86	Confident	51 Å²	51	75.1 Å²	75.1	42%	0.421	40%	0.404	S	S	.	.			trans	-53.5	145.5	173.3	0	0	0	0	0	112.9	F1348 G1350	F1348-A1353 VanDerWaalsContact O-CA 3.23Å; F1348-A1353 WeakPolarHBondContact O-CA 3.44Å; F1348-A1353 WeakPolarHBondContact O-CB 3.41Å; G1350-A1353 WeakPolarHBondContact O-CB 3.28Å; G1350-A1353 PolarHBondContact O-N 3.1Å
1354	V	88.9	Confident	85.5	Confident	15 Å²	15	73.9 Å²	73.9	9%	0.091	40%	0.401	C	S	.	.			trans	-83.7	117.2	-178.6	172.9	0	0	0	0	110	R1172 A1176 F1348 W1356 L1359	R1172-V1354 HydrophobicContact CG-CG2 4Å; A1176-V1354 HydrophobicContact CB-CG1 3.85Å; A1176-V1354 HydrophobicContact CB-CG2 4.26Å; F1348-V1354 HydrophobicContact CB-CB 4.35Å; F1348-V1354 HydrophobicContact CB-CG2 4.39Å; F1348-V1354 HydrophobicContact CD1-CB 4.39Å; F1348-V1354 HydrophobicContact CD1-CG2 3.81Å; F1348-V1354 PolarHBondContact O-N 3.49Å; F1348-V1354 VanDerWaalsContact O-N 3.11Å; V1354-W1356 HydrophobicContact CB-CZ2 4.42Å; V1354-W1356 HydrophobicContact CG1-CD2 3.77Å; V1354-W1356 HydrophobicContact CG1-CE3 4.07Å; V1354-W1356 HydrophobicContact CG1-CG 4.19Å; V1354-W1356 HydrophobicContact CG1-CH2 4.4Å; V1354-W1356 HydrophobicContact CG1-CZ2 4.09Å; V1354-W1356 HydrophobicContact CG1-CZ3 4.39Å; V1354-W1356 PolarHBondContact O-N 2.85Å; V1354-W1356 VanDerWaalsContact O-N 3.16Å; V1354-L1359 HydrophobicContact CG1-CD1 4.1Å; V1354-L1359 HydrophobicContact CG1-CD2 4.31Å
1355	D	89.8	Confident	84.9	Confident	63 Å²	63	70.5 Å²	70.5	34%	0.337	39%	0.39	S	S	.	.			trans	-80	94.6	166.8	-176.1	-20	0	0	0	108.7	K1357 N1358 L1359	D1355-K1357 PolarHBondContact O-N 2.84Å; D1355-K1357 VanDerWaalsContact O-N 3.13Å; D1355-K1357 WeakPolarHBondContact OD1-CA 3.32Å; D1355-K1357 WeakPolarHBondContact OD1-CB 3.42Å; D1355-K1357 PolarHBondContact OD1-N 3.02Å; D1355-N1358 HydrophobicContact CB-CB 4.4Å; D1355-N1358 CarbonylContact O-C 3.57Å; D1355-N1358 PolarHBondContact O-N 3.33Å; D1355-N1358 PolarHBondContact OD1-N 3.08Å; D1355-N1358 WeakPolarHBondContact OD2-CB 3.22Å; D1355-N1358 PolarHBondContact OD2-ND2 3.48Å; D1355-L1359 WeakPolarHBondContact O-CA 3.43Å; D1355-L1359 WeakPolarHBondContact O-CB 3.41Å; D1355-L1359 PolarHBondContact O-N 2.66Å
1356	W	92.3	Very high	84.7	Confident	53 Å²	53	72.5 Å²	72.5	20%	0.201	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18	178.9	-63.3	102.3	0	0	0	114.7	A1176 V1179 L1180 K1343 F1348 V1354	A1176-W1356 HydrophobicContact CB-CE3 4.43Å; A1176-W1356 HydrophobicContact CB-CH2 3.6Å; A1176-W1356 HydrophobicContact CB-CZ2 4.42Å; A1176-W1356 HydrophobicContact CB-CZ3 3.61Å; A1176-W1356 WeakPolarHBondContact O-CZ3 3.4Å; V1179-W1356 HydrophobicContact CB-CH2 4.23Å; V1179-W1356 HydrophobicContact CB-CZ3 4.01Å; V1179-W1356 HydrophobicContact CG1-CH2 4.12Å; V1179-W1356 HydrophobicContact CG1-CZ3 3.92Å; L1180-W1356 HydrophobicContact CD2-CE3 3.93Å; L1180-W1356 HydrophobicContact CD2-CZ3 4.43Å; L1180-W1356 HydrophobicContact CG-CE3 4.11Å; L1180-W1356 HydrophobicContact CG-CZ3 4.35Å; K1343-W1356 HydrophobicContact CB-CD2 4.25Å; K1343-W1356 HydrophobicContact CB-CH2 4.43Å; K1343-W1356 HydrophobicContact CB-CZ2 3.85Å; K1343-W1356 HydrophobicContact CD-CD2 4.01Å; K1343-W1356 HydrophobicContact CD-CE3 4.11Å; K1343-W1356 HydrophobicContact CD-CG 4.35Å; K1343-W1356 HydrophobicContact CD-CZ3 4.5Å; K1343-W1356 HydrophobicContact CG-CD2 3.77Å; K1343-W1356 HydrophobicContact CG-CE3 3.9Å; K1343-W1356 HydrophobicContact CG-CG 4.47Å; K1343-W1356 HydrophobicContact CG-CH2 3.8Å; K1343-W1356 HydrophobicContact CG-CZ2 3.69Å; K1343-W1356 HydrophobicContact CG-CZ3 3.89Å; F1348-W1356 HydrophobicContact CB-CZ2 4.01Å; F1348-W1356 HydrophobicContact CD1-CH2 4.14Å; F1348-W1356 AromaticContact CD1-CZ2 3.76Å; F1348-W1356 HydrophobicContact CD1-CZ2 3.76Å; F1348-W1356 HydrophobicContact CD2-CH2 4.44Å; F1348-W1356 AromaticContact CD2-CZ2 3.8Å; F1348-W1356 HydrophobicContact CD2-CZ2 3.8Å; F1348-W1356 HydrophobicContact CE1-CH2 4.11Å; F1348-W1356 HydrophobicContact CE1-CZ2 4.17Å; F1348-W1356 HydrophobicContact CE2-CH2 4.43Å; F1348-W1356 HydrophobicContact CE2-CZ2 4.23Å; F1348-W1356 HydrophobicContact CG-CH2 4.31Å; F1348-W1356 AromaticContact CG-CZ2 3.56Å; F1348-W1356 HydrophobicContact CG-CZ2 3.56Å; F1348-W1356 HydrophobicContact CZ-CH2 4.28Å; F1348-W1356 HydrophobicContact CZ-CZ2 4.41Å; V1354-W1356 HydrophobicContact CB-CZ2 4.42Å; V1354-W1356 HydrophobicContact CG1-CD2 3.77Å; V1354-W1356 HydrophobicContact CG1-CE3 4.07Å; V1354-W1356 HydrophobicContact CG1-CG 4.19Å; V1354-W1356 HydrophobicContact CG1-CH2 4.4Å; V1354-W1356 HydrophobicContact CG1-CZ2 4.09Å; V1354-W1356 HydrophobicContact CG1-CZ3 4.39Å; V1354-W1356 PolarHBondContact O-N 2.85Å; V1354-W1356 VanDerWaalsContact O-N 3.16Å
1357	K	87.9	Confident	84.5	Confident	173 Å²	173	70.7 Å²	70.7	75%	0.752	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-37.3	177	-65	-176.2	178.8	-178.7	0	111.9	D1355	D1355-K1357 PolarHBondContact O-N 2.84Å; D1355-K1357 VanDerWaalsContact O-N 3.13Å; D1355-K1357 WeakPolarHBondContact OD1-CA 3.32Å; D1355-K1357 WeakPolarHBondContact OD1-CB 3.42Å; D1355-K1357 PolarHBondContact OD1-N 3.02Å
1358	N	86.9	Confident	84.3	Confident	71 Å²	71	70.8 Å²	70.8	38%	0.38	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	20.7	-177.5	-61.7	-68.2	0	0	0	113.7	D1355 L1360 R1361 Q1362	D1355-N1358 HydrophobicContact CB-CB 4.4Å; D1355-N1358 CarbonylContact O-C 3.57Å; D1355-N1358 PolarHBondContact O-N 3.33Å; D1355-N1358 PolarHBondContact OD1-N 3.08Å; D1355-N1358 WeakPolarHBondContact OD2-CB 3.22Å; D1355-N1358 PolarHBondContact OD2-ND2 3.48Å; N1358-L1360 VanDerWaalsContact C-N 3.32Å; N1358-L1360 PolarHBondContact O-N 3.05Å; N1358-R1361 HydrophobicContact CB-CB 4.32Å; N1358-R1361 CarbonylContact O-C 3.58Å; N1358-R1361 WeakPolarHBondContact O-CA 3.36Å; N1358-R1361 WeakPolarHBondContact O-CB 3.36Å; N1358-R1361 PolarHBondContact O-N 3.02Å; N1358-Q1362 PolarHBondContact O-N 2.9Å
1359	L	88.9	Confident	84.1	Confident	3 Å²	3	77.3 Å²	77.3	2%	0.016	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-57	-42.6	-175.1	-169.6	53.1	0	0	0	112.9	A1176 E1177 L1180 V1354 D1355 R1361 Q1362	A1176-L1359 HydrophobicContact CB-CD2 3.78Å; E1177-L1359 HydrophobicContact CB-CD2 4.47Å; E1177-L1359 HydrophobicContact CG-CD2 3.65Å; E1177-L1359 HydrophobicContact CG-CG 3.95Å; L1180-L1359 HydrophobicContact CD1-CB 4.32Å; L1180-L1359 HydrophobicContact CD1-CD2 3.87Å; V1354-L1359 HydrophobicContact CG1-CD1 4.1Å; V1354-L1359 HydrophobicContact CG1-CD2 4.31Å; D1355-L1359 WeakPolarHBondContact O-CA 3.43Å; D1355-L1359 WeakPolarHBondContact O-CB 3.41Å; D1355-L1359 PolarHBondContact O-N 2.66Å; L1359-R1361 PolarHBondContact O-N 3.04Å; L1359-R1361 VanDerWaalsContact O-N 3.11Å; L1359-Q1362 WeakPolarHBondContact O-CB 3.46Å; L1359-Q1362 PolarHBondContact O-N 3.41Å
1360	L	85.3	Confident	84.1	Confident	82 Å²	82	76.2 Å²	76.2	43%	0.429	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-68.4	-3	173.6	-163.1	68.8	0	0	0	114	P1128 F1129 H1207 N1358	P1128-L1360 HydrophobicContact CB-CD1 4.3Å; P1128-L1360 HydrophobicContact CB-CD2 3.7Å; P1128-L1360 HydrophobicContact CG-CD2 4.17Å; F1129-L1360 HydrophobicContact CE1-CD1 3.92Å; F1129-L1360 HydrophobicContact CZ-CB 4.2Å; F1129-L1360 HydrophobicContact CZ-CD1 4.15Å; H1207-L1360 HydrophobicContact CB-CD1 4.31Å; N1358-L1360 VanDerWaalsContact C-N 3.32Å; N1358-L1360 PolarHBondContact O-N 3.05Å
1361	R	83.6	Confident	84.4	Confident	216 Å²	216	82.3 Å²	82.3	82%	0.815	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-111.5	-8.2	171.8	-58.1	176.3	176.9	-112	1.6	112.1	N1358 L1359	N1358-R1361 HydrophobicContact CB-CB 4.32Å; N1358-R1361 CarbonylContact O-C 3.58Å; N1358-R1361 WeakPolarHBondContact O-CA 3.36Å; N1358-R1361 WeakPolarHBondContact O-CB 3.36Å; N1358-R1361 PolarHBondContact O-N 3.02Å; L1359-R1361 PolarHBondContact O-N 3.04Å; L1359-R1361 VanDerWaalsContact O-N 3.11Å
1362	Q	83	Confident	85.2	Confident	58 Å²	58	81.1 Å²	81.1	27%	0.271	41%	0.405	S	S	.	.	S	Bend	trans	-72.7	132.7	171.9	-66.3	-162.7	-19.8	0	0	108.5	H1207 N1358 L1359 A1364	H1207-Q1362 PolarHBondContact CE1-O 3.29Å; N1358-Q1362 PolarHBondContact O-N 2.9Å; L1359-Q1362 WeakPolarHBondContact O-CB 3.46Å; L1359-Q1362 PolarHBondContact O-N 3.41Å; Q1362-A1364 PolarHBondContact O-N 3.37Å; Q1362-A1364 VanDerWaalsContact O-N 3.14Å
1363	K	79	Confident	85.7	Confident	190 Å²	190	82.8 Å²	82.8	83%	0.826	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-61.7	117.8	179.7	179	178.8	178.2	176.8	0	110	T1365	K1363-T1365 PolarHBondContact O-N 2.96Å
1364	A	83.1	Confident	85.9	Confident	8 Å²	8	82.7 Å²	82.7	7%	0.066	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-56.2	135.6	178.3	0	0	0	0	0	112.2	M1173 E1205 Q1362 F1366 V1367	M1173-A1364 HydrophobicContact SD-CB 4.4Å; E1205-A1364 WeakPolarHBondContact O-CB 3.29Å; Q1362-A1364 PolarHBondContact O-N 3.37Å; Q1362-A1364 VanDerWaalsContact O-N 3.14Å; A1364-F1366 VanDerWaalsContact C-N 3.27Å; A1364-F1366 PolarHBondContact O-N 3.01Å; A1364-V1367 HydrophobicContact CB-CG2 4.23Å
1365	T	78.7	Confident	85.7	Confident	76 Å²	76	83 Å²	83	47%	0.466	39%	0.392	S	S	.	.	S	Bend	trans	-71.3	-23.8	-178.6	-61	0	0	0	0	112.2	L1170 M1173 K1363	L1170-T1365 HydrophobicContact CB-CG2 4.03Å; L1170-T1365 HydrophobicContact CD1-CG2 4.2Å; M1173-T1365 WeakPolarHBondContact CE-OG1 3.5Å; M1173-T1365 PolarHBondContact SD-N 3.4Å; K1363-T1365 PolarHBondContact O-N 2.96Å
1366	F	88.5	Confident	85.5	Confident	46 Å²	46	80.8 Å²	80.8	20%	0.202	38%	0.381	C	S	.	.			trans	-130.3	131.8	173.2	169.1	-94.9	0	0	0	108.6	L1158 L1170 Y1174 I1202 G1206 A1364 P1368 Y1378	L1158-F1366 HydrophobicContact CD1-CD2 4.41Å; L1158-F1366 HydrophobicContact CD1-CE1 4.38Å; L1158-F1366 HydrophobicContact CD1-CE2 3.89Å; L1158-F1366 HydrophobicContact CD1-CZ 3.86Å; L1158-F1366 HydrophobicContact CD2-CD1 4.15Å; L1158-F1366 HydrophobicContact CD2-CE1 4.15Å; L1158-F1366 HydrophobicContact CD2-CG 4.41Å; L1158-F1366 HydrophobicContact CD2-CZ 4.44Å; L1170-F1366 HydrophobicContact CD1-CB 3.69Å; L1170-F1366 HydrophobicContact CD2-CB 4.22Å; Y1174-F1366 WeakPolarHBondContact OH-CD1 3.35Å; I1202-F1366 HydrophobicContact CD1-CD1 4.41Å; I1202-F1366 HydrophobicContact CD1-CE1 4.05Å; I1202-F1366 HydrophobicContact CG2-CD1 4.23Å; I1202-F1366 HydrophobicContact CG2-CE1 4.21Å; G1206-F1366 WeakPolarHBondContact CA-O 3.1Å; A1364-F1366 VanDerWaalsContact C-N 3.27Å; A1364-F1366 PolarHBondContact O-N 3.01Å; F1366-P1368 HydrophobicContact CE1-CG 3.93Å; F1366-Y1378 HydrophobicContact CZ-CD1 4.43Å; F1366-Y1378 AromaticContact CZ-CE1 3.78Å; F1366-Y1378 HydrophobicContact CZ-CE1 3.78Å
1367	V	89.4	Confident	85.2	Confident	59 Å²	59	81 Å²	81	36%	0.358	39%	0.391	S	S	.	.			trans	-128.5	119.8	177.1	-177.1	0	0	0	0	107.6	H1204 A1364 Q1369	H1204-V1367 VanDerWaalsContact O-CG1 3.31Å; H1204-V1367 WeakPolarHBondContact O-CG1 3.47Å; A1364-V1367 HydrophobicContact CB-CG2 4.23Å; V1367-Q1369 PolarHBondContact O-N 3.39Å; V1367-Q1369 PolarHBondContact O-NE2 2.83Å
1368	P	88.8	Confident	85	Confident	7 Å²	7	75.4 Å²	75.4	5%	0.045	37%	0.366	C	S	.	.			trans	-53.6	133.7	179.1	-27.1	34.6	0	0	0	112.8	I1202 T1203 F1366 L1370 Y1378	I1202-P1368 HydrophobicContact CG2-CG 4.02Å; T1203-P1368 WeakPolarHBondContact O-CD 3.5Å; T1203-P1368 WeakPolarHBondContact O-CG 3.38Å; F1366-P1368 HydrophobicContact CE1-CG 3.93Å; P1368-L1370 HydrophobicContact CB-CD2 4.22Å; P1368-L1370 HydrophobicContact CB-CG 4.18Å; P1368-L1370 PolarHBondContact O-N 2.84Å; P1368-Y1378 HydrophobicContact CB-CD2 4.2Å; P1368-Y1378 HydrophobicContact CB-CE2 3.83Å
1369	Q	88.7	Confident	85	Confident	142 Å²	142	72.6 Å²	72.6	66%	0.664	35%	0.35	S	S	*	.			trans	-98	81.9	178.5	-59.8	-58.7	-73.6	0	0	108.8	V1367 Y1378	V1367-Q1369 PolarHBondContact O-N 3.39Å; V1367-Q1369 PolarHBondContact O-NE2 2.83Å; Q1369-Y1378 PolarHBondContact N-OH 2.93Å
1370	L	88.4	Confident	84.6	Confident	47 Å²	47	74 Å²	74	25%	0.246	36%	0.358	C	S	.	.			trans	-83.6	131.1	-176.6	-55.6	169.8	0	0	0	110.4	E1151 H1204 P1368 H1372 D1375 Y1378	E1151-L1370 HydrophobicContact CB-CD1 3.59Å; E1151-L1370 HydrophobicContact CB-CD2 4.31Å; E1151-L1370 HydrophobicContact CG-CD1 4.23Å; H1204-L1370 HydrophobicContact CB-CD1 3.79Å; P1368-L1370 HydrophobicContact CB-CD2 4.22Å; P1368-L1370 HydrophobicContact CB-CG 4.18Å; P1368-L1370 PolarHBondContact O-N 2.84Å; L1370-H1372 VanDerWaalsContact C-N 3.29Å; L1370-H1372 PolarHBondContact O-N 2.93Å; L1370-D1375 HydrophobicContact CB-CB 4.36Å; L1370-D1375 HydrophobicContact CD2-CB 4.23Å; L1370-Y1378 HydrophobicContact CD2-CD2 3.78Å; L1370-Y1378 HydrophobicContact CD2-CE2 3.98Å
1371	E	85.2	Confident	83.8	Confident	178 Å²	178	74 Å²	74	83%	0.832	36%	0.363	S	S	*	.	S	Bend	trans	-69.4	-30	174.6	-66.6	-170.4	171.3	0	0	112.3	D1375	E1371-D1375 PolarHBondContact N-OD2 3.31Å
1372	H	84.8	Confident	82.9	Confident	109 Å²	109	68.9 Å²	68.9	51%	0.505	34%	0.343	S	S	.	.	S	Bend	trans	-164.3	162.3	175.1	54.1	29.5	0	0	0	109.8	L1370 E1374 D1375	L1370-H1372 VanDerWaalsContact C-N 3.29Å; L1370-H1372 PolarHBondContact O-N 2.93Å; H1372-E1374 VanDerWaalsContact CE1-C 3.48Å; H1372-E1374 PolarHBondContact O-N 3.46Å; H1372-D1375 PolarHBondContact CE1-N 3.49Å; H1372-D1375 PolarHBondContact ND1-N 2.82Å; H1372-D1375 WeakPolarHBondContact O-CA 3.32Å; H1372-D1375 WeakPolarHBondContact O-CB 3.36Å; H1372-D1375 PolarHBondContact O-N 3.4Å
1373	D	79.4	Confident	82.1	Confident	92 Å²	92	66.7 Å²	66.7	49%	0.492	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	13.4	-178.3	35.5	-63	0	0	0	115.5	R1095	R1095-D1373 VanDerWaalsContact CD-O 3.25Å; R1095-D1373 WeakPolarHBondContact CD-O 3.42Å; R1095-D1373 IonicContact CZ-OD2 2.61Å; R1095-D1373 PolarHBondContact NE-O 3.22Å; R1095-D1373 PolarHBondContact NH1-O 2.92Å; R1095-D1373 IonicContact NH1-OD2 2.77Å; R1095-D1373 PolarHBondContact NH1-OD2 3.35Å; R1095-D1373 IonicContact NH2-OD2 2.69Å; R1095-D1373 PolarHBondContact NH2-OD2 2.85Å
1374	E	82.4	Confident	81	Confident	48 Å²	48	60.4 Å²	60.4	22%	0.224	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	13.7	160.6	-67.7	-177.9	-163.3	0	0	112.6	I1073 R1088 R1095 H1372	I1073-E1374 HydrophobicContact CD1-CG 4.29Å; I1073-E1374 WeakPolarHBondContact CD1-OE2 2.92Å; R1088-E1374 IonicContact CZ-OE1 3.36Å; R1088-E1374 IonicContact CZ-OE2 2.72Å; R1088-E1374 IonicContact NH1-OE1 2.64Å; R1088-E1374 PolarHBondContact NH1-OE1 2.79Å; R1088-E1374 IonicContact NH1-OE2 2.75Å; R1088-E1374 PolarHBondContact NH1-OE2 2.8Å; R1095-E1374 IonicContact CZ-OE1 3.2Å; R1095-E1374 IonicContact NE-OE1 3.25Å; R1095-E1374 PolarHBondContact NE-OE1 3.4Å; R1095-E1374 IonicContact NH2-OE1 3.83Å; R1095-E1374 PolarHBondContact NH2-OE1 3.27Å; H1372-E1374 VanDerWaalsContact CE1-C 3.48Å; H1372-E1374 PolarHBondContact O-N 3.46Å
1375	D	85.4	Confident	79.6	Confident	21 Å²	21	68.4 Å²	68.4	11%	0.112	34%	0.338	C	S	.	.			trans	-70.3	142.8	177.1	-171.8	16.6	0	0	0	109.9	Y1149 L1370 E1371 H1372 S1377	Y1149-D1375 PolarHBondContact OH-O 3.43Å; L1370-D1375 HydrophobicContact CB-CB 4.36Å; L1370-D1375 HydrophobicContact CD2-CB 4.23Å; E1371-D1375 PolarHBondContact N-OD2 3.31Å; H1372-D1375 PolarHBondContact CE1-N 3.49Å; H1372-D1375 PolarHBondContact ND1-N 2.82Å; H1372-D1375 WeakPolarHBondContact O-CA 3.32Å; H1372-D1375 WeakPolarHBondContact O-CB 3.36Å; H1372-D1375 PolarHBondContact O-N 3.4Å; D1375-S1377 VanDerWaalsContact CG-OG 3.23Å; D1375-S1377 VanDerWaalsContact OD1-CB 3.24Å; D1375-S1377 WeakPolarHBondContact OD1-CB 3.49Å; D1375-S1377 PolarHBondContact OD1-N 3.38Å; D1375-S1377 PolarHBondContact OD1-OG 2.82Å; D1375-S1377 WeakPolarHBondContact OD2-CB 3.41Å; D1375-S1377 PolarHBondContact OD2-OG 3.39Å
1376	T	86.3	Confident	78.4	Confident	17 Å²	17	69.9 Å²	69.9	10%	0.104	34%	0.336	C	S	.	.			trans	-137.5	18.7	-178	49.3	0	0	0	0	111	K1074 I1076 L1086 Y1149 Y1378 F1379	K1074-T1376 HydrophobicContact CD-CG2 3.84Å; K1074-T1376 WeakPolarHBondContact CD-OG1 3.31Å; K1074-T1376 PolarHBondContact NZ-OG1 2.93Å; I1076-T1376 HydrophobicContact CG2-CG2 3.78Å; L1086-T1376 HydrophobicContact CD2-CG2 3.97Å; Y1149-T1376 WeakPolarHBondContact OH-CG2 3.35Å; T1376-Y1378 PolarHBondContact O-N 2.76Å; T1376-F1379 HydrophobicContact CG2-CD2 4.24Å; T1376-F1379 PolarHBondContact O-N 2.85Å; T1376-F1379 VanDerWaalsContact O-N 3.07Å
1377	S	85	Confident	76.5	Confident	59 Å²	59	73 Å²	73	41%	0.413	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-34	174.6	58.3	0	0	0	0	113.4	D1375 F1379	D1375-S1377 VanDerWaalsContact CG-OG 3.23Å; D1375-S1377 VanDerWaalsContact OD1-CB 3.24Å; D1375-S1377 WeakPolarHBondContact OD1-CB 3.49Å; D1375-S1377 PolarHBondContact OD1-N 3.38Å; D1375-S1377 PolarHBondContact OD1-OG 2.82Å; D1375-S1377 WeakPolarHBondContact OD2-CB 3.41Å; D1375-S1377 PolarHBondContact OD2-OG 3.39Å; S1377-F1379 VanDerWaalsContact C-N 3.34Å
1378	Y	85.2	Confident	74.3	Confident	54 Å²	54	77.8 Å²	77.8	21%	0.212	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.2	177.8	-69.4	-78.7	0	0	0	114.9	G1152 T1157 F1366 P1368 Q1369 L1370 T1376	G1152-Y1378 VanDerWaalsContact C-CB 3.44Å; G1152-Y1378 WeakPolarHBondContact O-CB 3.39Å; T1157-Y1378 VanDerWaalsContact CG2-O 3.31Å; T1157-Y1378 WeakPolarHBondContact CG2-O 3.36Å; F1366-Y1378 HydrophobicContact CZ-CD1 4.43Å; F1366-Y1378 AromaticContact CZ-CE1 3.78Å; F1366-Y1378 HydrophobicContact CZ-CE1 3.78Å; P1368-Y1378 HydrophobicContact CB-CD2 4.2Å; P1368-Y1378 HydrophobicContact CB-CE2 3.83Å; Q1369-Y1378 PolarHBondContact N-OH 2.93Å; L1370-Y1378 HydrophobicContact CD2-CD2 3.78Å; L1370-Y1378 HydrophobicContact CD2-CE2 3.98Å; T1376-Y1378 PolarHBondContact O-N 2.76Å
1379	F	85.9	Confident	72	Confident	13 Å²	13	83.6 Å²	83.6	6%	0.057	40%	0.398	C	S	.	.	S	Bend	trans	-98.3	147.5	172.7	-65.2	-96.5	0	0	0	110.5	I1076 Y1149 V1150 T1376 S1377 P1381	I1076-F1379 HydrophobicContact CB-CD1 3.88Å; I1076-F1379 HydrophobicContact CB-CE1 3.99Å; I1076-F1379 HydrophobicContact CB-CG 4.26Å; I1076-F1379 HydrophobicContact CB-CZ 4.46Å; I1076-F1379 HydrophobicContact CD1-CE1 4.19Å; I1076-F1379 HydrophobicContact CD1-CZ 4.31Å; I1076-F1379 HydrophobicContact CG1-CE1 4.44Å; I1076-F1379 WeakPolarHBondContact O-CD1 3.45Å; Y1149-F1379 HydrophobicContact CE2-CE2 4.02Å; Y1149-F1379 AromaticContact CE2-CZ 3.85Å; Y1149-F1379 HydrophobicContact CE2-CZ 3.85Å; Y1149-F1379 WeakPolarHBondContact OH-CE2 3.43Å; V1150-F1379 WeakPolarHBondContact O-CZ 3.39Å; T1376-F1379 HydrophobicContact CG2-CD2 4.24Å; T1376-F1379 PolarHBondContact O-N 2.85Å; T1376-F1379 VanDerWaalsContact O-N 3.07Å; S1377-F1379 VanDerWaalsContact C-N 3.34Å; F1379-P1381 WeakPolarHBondContact O-CD 3.42Å; F1379-P1381 VanDerWaalsContact O-N 3.09Å
1380	D	80.2	Confident	69.9	Low	32 Å²	32	79.7 Å²	79.7	17%	0.171	38%	0.383	C	S	.	.			trans	-56.2	115	-178.7	-176.5	-2.3	0	0	0	112.1	R1382 T1383	D1380-R1382 PolarHBondContact O-N 3.49Å; D1380-R1382 WeakPolarHBondContact OD1-CB 3.15Å; D1380-R1382 WeakPolarHBondContact OD1-CG 3.08Å; D1380-R1382 IonicContact OD1-CZ 2.7Å; D1380-R1382 PolarHBondContact OD1-N 3.49Å; D1380-R1382 IonicContact OD1-NH1 3.06Å; D1380-R1382 PolarHBondContact OD1-NH1 3.23Å; D1380-R1382 VanDerWaalsContact OD2-CD 3.32Å; D1380-R1382 WeakPolarHBondContact OD2-CD 3.49Å; D1380-R1382 IonicContact OD2-CZ 3.2Å; D1380-R1382 IonicContact OD2-NE 3.4Å; D1380-R1382 IonicContact OD2-NH1 3.16Å; D1380-R1382 PolarHBondContact OD2-NH1 3.33Å; D1380-T1383 WeakPolarHBondContact O-CB 3.41Å; D1380-T1383 VanDerWaalsContact O-CG2 3.27Å; D1380-T1383 WeakPolarHBondContact O-CG2 3.2Å; D1380-T1383 PolarHBondContact O-N 3.11Å; D1380-T1383 PolarHBondContact O-OG1 2.81Å
1381	P	69.2	Low	67.5	Low	83 Å²	83	84 Å²	84	54%	0.539	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-8	178.7	-23	35.2	0	0	0	114.4	F1379 T1383	F1379-P1381 WeakPolarHBondContact O-CD 3.42Å; F1379-P1381 VanDerWaalsContact O-N 3.09Å; P1381-T1383 PolarHBondContact O-N 3.1Å
1382	R	65	Low	65.1	Low	107 Å²	107	82.6 Å²	82.6	40%	0.404	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-26	168.6	-62.9	178	-168.6	81.1	-5.3	112.4	D1380 D1384 R1385 Y1386	D1380-R1382 PolarHBondContact O-N 3.49Å; D1380-R1382 WeakPolarHBondContact OD1-CB 3.15Å; D1380-R1382 WeakPolarHBondContact OD1-CG 3.08Å; D1380-R1382 IonicContact OD1-CZ 2.7Å; D1380-R1382 PolarHBondContact OD1-N 3.49Å; D1380-R1382 IonicContact OD1-NH1 3.06Å; D1380-R1382 PolarHBondContact OD1-NH1 3.23Å; D1380-R1382 VanDerWaalsContact OD2-CD 3.32Å; D1380-R1382 WeakPolarHBondContact OD2-CD 3.49Å; D1380-R1382 IonicContact OD2-CZ 3.2Å; D1380-R1382 IonicContact OD2-NE 3.4Å; D1380-R1382 IonicContact OD2-NH1 3.16Å; D1380-R1382 PolarHBondContact OD2-NH1 3.33Å; R1382-D1384 VanDerWaalsContact C-N 3.32Å; R1382-D1384 PolarHBondContact O-N 3.45Å; R1382-R1385 WeakPolarHBondContact O-CB 3.31Å; R1382-R1385 PolarHBondContact O-N 3.11Å; R1382-Y1386 HydrophobicContact CB-CE2 4.47Å; R1382-Y1386 VanDerWaalsContact O-CD2 3.28Å; R1382-Y1386 WeakPolarHBondContact O-CD2 3.09Å
1383	T	66.3	Low	62.9	Low	12 Å²	12	80.8 Å²	80.8	7%	0.074	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-52.9	-45.4	179.6	49.4	0	0	0	0	112.4	L1075 D1380 P1381 R1385 Y1386	L1075-T1383 WeakPolarHBondContact CD2-O 3.33Å; L1075-T1383 WeakPolarHBondContact O-CB 3.33Å; L1075-T1383 PolarHBondContact O-OG1 3.18Å; D1380-T1383 WeakPolarHBondContact O-CB 3.41Å; D1380-T1383 VanDerWaalsContact O-CG2 3.27Å; D1380-T1383 WeakPolarHBondContact O-CG2 3.2Å; D1380-T1383 PolarHBondContact O-N 3.11Å; D1380-T1383 PolarHBondContact O-OG1 2.81Å; P1381-T1383 PolarHBondContact O-N 3.1Å; T1383-R1385 PolarHBondContact O-N 3.33Å; T1383-Y1386 WeakPolarHBondContact O-CB 3.44Å; T1383-Y1386 PolarHBondContact O-N 3.46Å
1384	D	55.6	Low	60.7	Low	58 Å²	58	84.1 Å²	84.1	31%	0.31	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-57.3	-24.5	177.5	-70.9	-54.6	0	0	0	113.8	K1074 R1382 Y1386	K1074-D1384 WeakPolarHBondContact CE-OD1 3.22Å; K1074-D1384 WeakPolarHBondContact CE-OD2 3.45Å; K1074-D1384 IonicContact NZ-OD2 2.68Å; K1074-D1384 PolarHBondContact NZ-OD2 3.26Å; K1074-D1384 VanDerWaalsContact NZ-OD2 3.12Å; R1382-D1384 VanDerWaalsContact C-N 3.32Å; R1382-D1384 PolarHBondContact O-N 3.45Å; D1384-Y1386 VanDerWaalsContact C-N 3.34Å
1385	R	53.1	Low	58.4	Low	176 Å²	176	87.1 Å²	87.1	66%	0.664	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-84.2	-5.9	178.4	-53.6	-170.7	-59.9	174	3.9	113.7	R1382 T1383 H1388	R1382-R1385 WeakPolarHBondContact O-CB 3.31Å; R1382-R1385 PolarHBondContact O-N 3.11Å; T1383-R1385 PolarHBondContact O-N 3.33Å; R1385-H1388 PolarHBondContact O-CD2 3.37Å
1386	Y	52.8	Low	55.9	Low	108 Å²	108	90.4 Å²	90.4	42%	0.424	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-89.4	9.7	175.6	-73.2	-84.8	0	0	0	114.1	R1382 T1383 D1384 H1388	R1382-Y1386 HydrophobicContact CB-CE2 4.47Å; R1382-Y1386 VanDerWaalsContact O-CD2 3.28Å; R1382-Y1386 WeakPolarHBondContact O-CD2 3.09Å; T1383-Y1386 WeakPolarHBondContact O-CB 3.44Å; T1383-Y1386 PolarHBondContact O-N 3.46Å; D1384-Y1386 VanDerWaalsContact C-N 3.34Å; Y1386-H1388 PolarHBondContact O-N 3.41Å; Y1386-H1388 VanDerWaalsContact O-N 3.1Å
1387	K	49.2	Very low	53.3	Low	112 Å²	112	99.8 Å²	99.8	49%	0.487	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-57.3	-22.9	175.6	-77.2	-171	173.7	-168.4	0	114.8	D1389 V1390	K1387-D1389 PolarHBondContact O-N 3.16Å; K1387-V1390 PolarHBondContact O-N 3.27Å
1388	H	43	Very low	50.5	Low	158 Å²	158	101.5 Å²	101.5	73%	0.731	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-63.2	-8	-166.9	-71	-57	0	0	0	117.9	R1385 Y1386	R1385-H1388 PolarHBondContact O-CD2 3.37Å; Y1386-H1388 PolarHBondContact O-N 3.41Å; Y1386-H1388 VanDerWaalsContact O-N 3.1Å
1389	D	42	Very low	47.8	Very low	130 Å²	130	104 Å²	104	70%	0.695	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-114.3	8.3	-177.9	-93.3	-55.9	0	0	0	115.1	R1102 K1387	R1102-D1389 PolarHBondContact NH1-O 2.85Å; R1102-D1389 PolarHBondContact NH2-O 2.65Å; K1387-D1389 PolarHBondContact O-N 3.16Å
1390	V	44.7	Very low	45	Very low	59 Å²	59	109.9 Å²	109.9	36%	0.358	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-20.8	179	-166	0	0	0	0	112.8	K1387 N1392 D1393	K1387-V1390 PolarHBondContact O-N 3.27Å; V1390-N1392 PolarHBondContact O-N 2.98Å; V1390-D1393 PolarHBondContact O-N 2.87Å
1391	E	37.3	Very low	42.5	Very low	139 Å²	139	114 Å²	114	65%	0.65	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	44.9	-179.4	-65.1	172.1	-178	0	0	112.7
1392	N	33.8	Very low	40.5	Very low	148 Å²	148	120.4 Å²	120.4	79%	0.791	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.3	13.8	167	-98.9	-69.4	0	0	0	112.1	V1390 E1394	V1390-N1392 PolarHBondContact O-N 2.98Å; N1392-E1394 PolarHBondContact O-N 2.86Å; N1392-E1394 VanDerWaalsContact O-N 3.11Å
1393	D	40.1	Very low	38.7	Very low	70 Å²	70	119.3 Å²	119.3	37%	0.374	59%	0.587	S	S	.	*			trans	-83.4	50	171.4	-86	-49.4	0	0	0	111.9	K1141 V1390 D1395	K1141-D1393 VanDerWaalsContact CD-OD1 3.23Å; K1141-D1393 WeakPolarHBondContact CD-OD1 3.28Å; K1141-D1393 WeakPolarHBondContact CE-OD1 3.13Å; K1141-D1393 IonicContact NZ-OD1 3.67Å; K1141-D1393 PolarHBondContact NZ-OD1 2.87Å; V1390-D1393 PolarHBondContact O-N 2.87Å; D1393-D1395 PolarHBondContact O-N 2.9Å
1394	E	32.6	Very low	37	Very low	162 Å²	162	123.9 Å²	123.9	76%	0.757	62%	0.615	S	S	*	*			trans	-71.8	47.5	165.9	-76.5	-69.9	179.9	0	0	111.9	N1392 V1396	N1392-E1394 PolarHBondContact O-N 2.86Å; N1392-E1394 VanDerWaalsContact O-N 3.11Å; E1394-V1396 VanDerWaalsContact C-N 3.29Å
1395	D	33.1	Very low	35.7	Very low	111 Å²	111	132.5 Å²	132.5	59%	0.594	65%	0.645	S	S	*	*			trans	-99.8	28.3	157.5	-84.5	-58.1	0	0	0	109.1	K1141 D1393 Y1397	K1141-D1395 WeakPolarHBondContact CE-OD2 3.39Å; K1141-D1395 IonicContact NZ-OD2 2.71Å; K1141-D1395 PolarHBondContact NZ-OD2 3.26Å; D1393-D1395 PolarHBondContact O-N 2.9Å; D1395-Y1397 PolarHBondContact O-N 3.32Å
1396	V	32.9	Very low	34.6	Very low	90 Å²	90	127.2 Å²	127.2	55%	0.545	64%	0.635	S	S	.	*			trans	-68.6	106.3	-179.5	-162.1	0	0	0	0	108.5	E1394 I1398	E1394-V1396 VanDerWaalsContact C-N 3.29Å; V1396-I1398 HydrophobicContact CB-CD1 4.42Å; V1396-I1398 HydrophobicContact CB-CG1 3.85Å; V1396-I1398 HydrophobicContact CG1-CD1 4.22Å; V1396-I1398 HydrophobicContact CG1-CG1 3.38Å; V1396-I1398 PolarHBondContact O-N 2.91Å
1397	Y	31.4	Very low	33.3	Very low	215 Å²	215	128.7 Å²	128.7	84%	0.843	65%	0.65	S	S	*	*			trans	-73.6	74	165.5	-172.1	-100.7	0	0	0	108.4	D1395 P1399	D1395-Y1397 PolarHBondContact O-N 3.32Å; Y1397-P1399 HydrophobicContact CE1-CG 4.4Å; Y1397-P1399 VanDerWaalsContact O-CD 3.32Å; Y1397-P1399 WeakPolarHBondContact O-CD 3.09Å
1398	I	26.3	Very low	32.4	Very low	94 Å²	94	135 Å²	135	48%	0.482	67%	0.671	S	S	.	*			trans	-75	121.9	167.2	-44	174.8	0	0	0	106.7	V1396 M1400	V1396-I1398 HydrophobicContact CB-CD1 4.42Å; V1396-I1398 HydrophobicContact CB-CG1 3.85Å; V1396-I1398 HydrophobicContact CG1-CD1 4.22Å; V1396-I1398 HydrophobicContact CG1-CG1 3.38Å; V1396-I1398 PolarHBondContact O-N 2.91Å; I1398-M1400 HydrophobicContact CD1-CE 3.78Å; I1398-M1400 HydrophobicContact CG2-CB 4.28Å; I1398-M1400 HydrophobicContact CG2-CE 4.09Å; I1398-M1400 HydrophobicContact CG2-CG 4.34Å; I1398-M1400 PolarHBondContact O-N 2.87Å
1399	P	29.5	Very low	31.8	Very low	108 Å²	108	131.6 Å²	131.6	70%	0.701	67%	0.665	S	S	*	*			trans	-75.7	70.2	157.4	-6.6	26.9	0	0	0	108.1	Y1397	Y1397-P1399 HydrophobicContact CE1-CG 4.4Å; Y1397-P1399 VanDerWaalsContact O-CD 3.32Å; Y1397-P1399 WeakPolarHBondContact O-CD 3.09Å
1400	M	26.3	Very low	30.9	Very low	136 Å²	136	130.7 Å²	130.7	67%	0.67	67%	0.669	S	S	*	*			trans	-74.7	133.6	148.9	-111	-179.4	-89	0	0	105.2	I1398	I1398-M1400 HydrophobicContact CD1-CE 3.78Å; I1398-M1400 HydrophobicContact CG2-CB 4.28Å; I1398-M1400 HydrophobicContact CG2-CE 4.09Å; I1398-M1400 HydrophobicContact CG2-CG 4.34Å; I1398-M1400 PolarHBondContact O-N 2.87Å
1401	D	28.4	Very low	30.2	Very low	118 Å²	118	133.9 Å²	133.9	63%	0.631	69%	0.691	S	S	*	*			cis	-124.9	153.9	21.3	-55.8	-62.1	0	0	0	113.4
1402	Y	26.4	Very low	29.6	Very low	217 Å²	217	131.3 Å²	131.3	85%	0.851	69%	0.694	S	S	*	*				-166.2	103	97.5	-96.5	-65.6	0	0	0	110.6
1403	A	27.1	Very low	29.6	Very low	84 Å²	84	129.5 Å²	129.5	69%	0.694	69%	0.69	S	S	*	*			trans	-117.6	144.4	165.3	0	0	0	0	0	108.7
1404	V	32.2	Very low	29.1	Very low	109 Å²	109	134.5 Å²	134.5	66%	0.661	71%	0.71	S	S	*	*			trans	67.5	98.2	160.9	-171.4	0	0	0	0	117.1	S1406	V1404-S1406 WeakPolarHBondContact CG1-OG 3.48Å
1405	Y	28.6	Very low	28.8	Very low	238 Å²	238	133 Å²	133	93%	0.933	71%	0.707	S	S	*	*				-86.2	124.6	110.5	-88	-88.2	0	0	0	105.6
1406	S	28.2	Very low	28.4	Very low	66 Å²	66	132.5 Å²	132.5	46%	0.462	71%	0.712	S	S	.	*			cis	75.7	84.6	30.6	-98.4	0	0	0	0	114.8	V1404	V1404-S1406 WeakPolarHBondContact CG1-OG 3.48Å
1407	N	27.1	Very low	28.2	Very low	139 Å²	139	135.2 Å²	135.2	74%	0.743	73%	0.728	S	S	*	*				63.3	110	116.3	-60.3	-35.5	0	0	0	118.5
1408	R	29.7	Very low	27.9	Very low	243 Å²	243	129.3 Å²	129.3	92%	0.917	72%	0.719	S	S	*	*				-101.6	108.1	117.9	-77.5	-171	170.9	-146.8	-2	107.6
1409	S	30.3	Very low	27.9	Very low	87 Å²	87	135.7 Å²	135.7	61%	0.608	74%	0.737	S	S	*	*				91.7	112.7	89.7	-64.2	0	0	0	0	109.6
1410	S	23.3	Very low	27.8	Very low	111 Å²	111	137.5 Å²	137.5	78%	0.776	74%	0.74	S	S	*	*				66.7	133.4	67.6	-60.1	0	0	0	0	111.5
1411	P	29.8	Very low	27.8	Very low	126 Å²	126	141 Å²	141	82%	0.818	75%	0.753	S	S	*	*			cis	-135.4	134.2	40.8	35.3	-16.8	0	0	0	117.4
1412	A	25.5	Very low	27.7	Very low	86 Å²	86	139.6 Å²	139.6	71%	0.711	75%	0.752	S	S	*	*				-87.8	170.2	123.6	0	0	0	0	0	108.2
1413	P	31.8	Very low	27.6	Very low	110 Å²	110	138.2 Å²	138.2	71%	0.714	75%	0.751	S	S	*	*			cis	-126.1	176.8	-11.1	41.1	-28.1	0	0	0	112.6
1414	H	30.4	Very low	27.6	Very low	174 Å²	174	140.7 Å²	140.7	81%	0.806	75%	0.752	S	S	*	*				-157	168.1	122.3	-137.5	-102.9	0	0	0	114
1415	L	26	Very low	27.4	Very low	132 Å²	132	140.7 Å²	140.7	69%	0.691	76%	0.757	S	S	*	*			trans	-70	131.6	-174.2	-82.8	64.6	0	0	0	113.1	V1417	L1415-V1417 PolarHBondContact O-N 2.81Å
1416	S	26	Very low	27.2	Very low	99 Å²	99	134.3 Å²	134.3	69%	0.692	75%	0.747	S	S	*	*			trans	-1.8	110.3	144.5	57	0	0	0	0	117.7
1417	V	26.9	Very low	27.2	Very low	147 Å²	147	134.9 Å²	134.9	89%	0.891	76%	0.756	S	S	*	*			trans	-115.8	128.8	141.1	178.5	0	0	0	0	106.5	L1415	L1415-V1417 PolarHBondContact O-N 2.81Å
1418	S	27.2	Very low	27.3	Very low	92 Å²	92	134.1 Å²	134.1	64%	0.643	75%	0.752	S	S	*	*			trans	-121.9	158.7	-175	-54.7	0	0	0	0	111.2
1419	R	25.7	Very low	27.1	Very low	227 Å²	227	130 Å²	130	86%	0.857	74%	0.743	S	S	*	*			trans	84.3	114.9	177.9	-54.2	164.3	-178.4	164.8	-0.3	112.1
1420	N	27.6	Very low	27	Very low	146 Å²	146	131.2 Å²	131.2	78%	0.781	75%	0.751	S	S	*	*				76.5	115.5	57.4	-63.4	17.3	0	0	0	112.2
1421	F	24.6	Very low	27	Very low	211 Å²	211	131.9 Å²	131.9	93%	0.925	75%	0.745	S	S	*	*			trans	-128	148.6	151.7	-93.8	-104	0	0	0	107.8
1422	S	26.4	Very low	26.7	Very low	87 Å²	87	131.3 Å²	131.3	61%	0.608	74%	0.74	S	S	*	*			cis	176	150.6	-32.1	-107.7	0	0	0	0	107.3
1423	F	25.7	Very low	26.8	Very low	189 Å²	189	133.8 Å²	133.8	83%	0.829	74%	0.741	S	S	*	*			trans	-155.2	113.6	130.9	-121.2	-75.2	0	0	0	112.4
1424	N	26.1	Very low	26.8	Very low	135 Å²	135	136.4 Å²	136.4	72%	0.722	75%	0.747	S	S	*	*			trans	60.3	152	162.7	-67.3	-0.9	0	0	0	121.6
1425	S	28.3	Very low	26.7	Very low	109 Å²	109	135.1 Å²	135.1	76%	0.762	75%	0.745	S	S	*	*			trans	60	99.6	177.9	-112.5	0	0	0	0	115.6
1426	S	24.5	Very low	26.5	Very low	105 Å²	105	138.7 Å²	138.7	73%	0.734	75%	0.749	S	S	*	*			cis	54.6	137.6	17.3	74	0	0	0	0	114.8
1427	A	28.3	Very low	26.4	Very low	77 Å²	77	145 Å²	145	64%	0.636	76%	0.758	S	S	*	*			cis	-147.5	-172.2	17.1	0	0	0	0	0	112.8
1428	D	30.3	Very low	26.6	Very low	124 Å²	124	143.5 Å²	143.5	66%	0.663	75%	0.751	S	S	*	*			trans	76.7	114	153.2	-58	-12.8	0	0	0	119
1429	Q	24.1	Very low	26.3	Very low	157 Å²	157	143 Å²	143	73%	0.734	75%	0.752	S	S	*	*				69.5	111.6	60.6	-63.1	-177.7	83.9	0	0	109.8
1430	S	28.5	Very low	26.3	Very low	111 Å²	111	136.4 Å²	136.4	78%	0.776	75%	0.746	S	S	*	*				-127.3	160.3	52.4	54.6	0	0	0	0	114.1
1431	L	22.6	Very low	26.3	Very low	125 Å²	125	133.9 Å²	133.9	65%	0.654	74%	0.74	S	S	*	*			cis	77.8	129	34.3	-79.5	171	0	0	0	116.5
1432	T	24	Very low	26.4	Very low	115 Å²	115	134 Å²	134	71%	0.706	74%	0.735	S	S	*	*			trans	69.1	161.6	155.5	63.1	0	0	0	0	121.9
1433	N	28.5	Very low	26.3	Very low	137 Å²	137	137.2 Å²	137.2	73%	0.733	74%	0.744	S	S	*	*			trans	81.8	86	158.5	-60.5	-27.4	0	0	0	119.8	I1435	N1433-I1435 PolarHBondContact O-N 2.99Å
1434	I	31	Very low	26.4	Very low	166 Å²	166	131.5 Å²	131.5	85%	0.851	74%	0.738	S	S	*	*			trans	-47.2	101.3	150.2	-58.3	165.3	0	0	0	110.6
1435	I	27.8	Very low	26.4	Very low	147 Å²	147	136.3 Å²	136.3	75%	0.754	75%	0.746	S	S	*	*			trans	-127	93	159.2	-59.3	-174.1	0	0	0	110.1	N1433	N1433-I1435 PolarHBondContact O-N 2.99Å
1436	R	23.2	Very low	26.4	Very low	207 Å²	207	135.1 Å²	135.1	78%	0.781	74%	0.743	S	S	*	*				25.2	136.5	128.5	-69.4	175.6	169.8	166	-2.4	119.1
1437	R	23.4	Very low	26.7	Very low	231 Å²	231	138 Å²	138	87%	0.872	74%	0.742	S	S	*	*			trans	83.8	151.4	151.6	-70.2	167	177.8	178.2	-1.4	117.3
1438	P	30.5	Very low	26.7	Very low	115 Å²	115	139.8 Å²	139.8	75%	0.747	74%	0.737	S	S	*	*			cis	-138.3	-170.9	-23.3	37.5	-18.7	0	0	0	114.3
1439	A	22	Very low	26.5	Very low	81 Å²	81	141.4 Å²	141.4	67%	0.669	74%	0.741	S	S	*	*			trans	-15.3	131.3	153	0	0	0	0	0	118.3
1440	A	24.1	Very low	26.8	Very low	89 Å²	89	138.3 Å²	138.3	74%	0.736	74%	0.742	S	S	*	*	S	Bend		24.5	129.2	114.2	0	0	0	0	0	119.2
1441	S	29.2	Very low	26.7	Very low	93 Å²	93	136.9 Å²	136.9	65%	0.65	74%	0.737	S	S	*	*			trans	66.9	129.3	176.3	83	0	0	0	0	113.4
1442	R	25	Very low	27	Very low	215 Å²	215	139.4 Å²	139.4	81%	0.811	75%	0.746	S	S	*	*				-151.9	140.9	61.1	-97	124.8	-162	-105.6	1.7	111.5
1443	L	26.3	Very low	27.1	Very low	154 Å²	154	141 Å²	141	81%	0.806	74%	0.744	S	S	*	*				69.5	36.3	75.1	-153.9	86	0	0	0	114.3
1444	G	27.1	Very low	27	Very low	68 Å²	68	142.2 Å²	142.2	70%	0.701	74%	0.743	S	S	*	*				-76.8	123.8	129.4	0	0	0	0	0	107.3
1445	R	26.6	Very low	26.9	Very low	236 Å²	236	144.6 Å²	144.6	89%	0.891	74%	0.742	S	S	*	*			cis	52.6	91.7	34.9	-151.2	-168.9	-161.7	-167.8	7.3	107.4
1446	A	28.5	Very low	26.8	Very low	84 Å²	84	141.7 Å²	141.7	69%	0.694	73%	0.734	S	S	*	*				-127.4	135.9	55.4	0	0	0	0	0	111.9
1447	K	29.3	Very low	26.9	Very low	165 Å²	165	139.2 Å²	139.2	72%	0.717	73%	0.731	S	S	*	*				90	111.5	91.6	-81.3	-168.8	162.1	-123.7	0	111.4
1448	Q	27.8	Very low	26.9	Very low	115 Å²	115	132.9 Å²	132.9	54%	0.537	72%	0.722	S	S	.	*				85.8	117.9	83.7	-82.3	-176.4	-42.1	0	0	110.4
1449	Q	27.6	Very low	26.7	Very low	159 Å²	159	135.4 Å²	135.4	74%	0.743	73%	0.729	S	S	*	*				87.3	168.7	105.5	-70.8	171	-30.5	0	0	112.1
1450	A	29.5	Very low	26.9	Very low	91 Å²	91	134.3 Å²	134.3	75%	0.752	73%	0.725	S	S	*	*			trans	62.8	124.5	-169.9	0	0	0	0	0	111.7
1451	A	27.5	Very low	27.2	Very low	81 Å²	81	134 Å²	134	67%	0.669	71%	0.711	S	S	*	*				63.8	135.6	60.7	0	0	0	0	0	111
1452	E	27.7	Very low	27.3	Very low	179 Å²	179	133 Å²	133	84%	0.836	70%	0.704	S	S	*	*			cis	-112	150.1	18.9	-69.2	158.2	125.4	0	0	112.4
1453	H	27.3	Very low	27.6	Very low	147 Å²	147	129.6 Å²	129.6	68%	0.681	70%	0.702	S	S	*	*				67	138.8	51.9	-94.1	-35.5	0	0	0	115.5
1454	K	26.5	Very low	27.9	Very low	164 Å²	164	129.4 Å²	129.4	71%	0.713	70%	0.702	S	S	*	*			trans	22	122.3	143.6	-54.6	169.3	178.8	176.8	0	115.7
1455	R	29.2	Very low	28.1	Very low	216 Å²	216	134.1 Å²	134.1	82%	0.815	71%	0.71	S	S	*	*				-168.2	154.1	79	-82	164.4	169.2	135.6	-8.7	107.4
1456	S	23.8	Very low	28.1	Very low	86 Å²	86	131.9 Å²	131.9	60%	0.601	71%	0.707	S	S	*	*				45.6	139.2	67.2	69.8	0	0	0	0	113
1457	H	25.4	Very low	28	Very low	154 Å²	154	133.9 Å²	133.9	71%	0.713	71%	0.706	S	S	*	*			cis	-146.7	144.4	20.2	-59.7	-107.3	0	0	0	108.1
1458	S	24.4	Very low	28.1	Very low	98 Å²	98	136.8 Å²	136.8	69%	0.685	71%	0.712	S	S	*	*				90.5	146.8	90.1	73.6	0	0	0	0	118
1459	L	25.5	Very low	28.2	Very low	169 Å²	169	134.9 Å²	134.9	89%	0.885	71%	0.712	S	S	*	*			trans	82	159	161.1	-57.4	165.1	0	0	0	119.2
1460	G	27	Very low	28.1	Very low	57 Å²	57	136 Å²	136	59%	0.588	71%	0.714	S	S	*	*			trans	-103.9	-162.6	-177.4	0	0	0	0	0	114.2
1461	D	31.1	Very low	28	Very low	82 Å²	82	139.1 Å²	139.1	44%	0.439	71%	0.711	S	S	.	*			cis	-161.6	176.9	7.1	-132.9	-51.1	0	0	0	113.9	I1479 R1480	D1461-I1479 VanDerWaalsContact OD1-C 3.25Å; D1461-I1479 WeakPolarHBondContact OD2-CB 3.19Å; D1461-I1479 WeakPolarHBondContact OD2-CG2 3.5Å; D1461-R1480 VanDerWaalsContact CG-N 3.3Å; D1461-R1480 PolarHBondContact OD1-N 2.92Å; D1461-R1480 PolarHBondContact OD2-N 2.91Å
1462	S	29.8	Very low	28.2	Very low	73 Å²	73	140.4 Å²	140.4	51%	0.51	72%	0.715	S	S	.	*			trans	73.6	114	160.2	-70.4	0	0	0	0	125.7
1463	N	32.6	Very low	28.3	Very low	143 Å²	143	142.8 Å²	142.8	77%	0.765	72%	0.716	S	S	*	*			trans	61.2	133.9	131.1	-67	-19.5	0	0	0	128.9
1464	N	31.7	Very low	28.2	Very low	150 Å²	150	140.1 Å²	140.1	80%	0.802	71%	0.714	S	S	*	*			trans	60.7	113.5	144.8	-77.7	-15.6	0	0	0	124.7
1465	L	32.4	Very low	28.3	Very low	168 Å²	168	141.2 Å²	141.2	88%	0.88	72%	0.719	S	S	*	*				-168.6	160.2	110.8	-108.3	171.4	0	0	0	113.9
1466	F	25.2	Very low	28.6	Very low	188 Å²	188	135 Å²	135	83%	0.825	71%	0.709	S	S	*	*			trans	-67.3	167.3	168.6	-88.1	-81.7	0	0	0	111.4
1467	L	27.1	Very low	28.8	Very low	126 Å²	126	137.9 Å²	137.9	66%	0.66	71%	0.706	S	S	*	*			cis	-163.2	128.2	25	-138.6	170.7	0	0	0	110.7
1468	R	30.4	Very low	29	Very low	226 Å²	226	133.5 Å²	133.5	85%	0.853	69%	0.693	S	S	*	*			trans	55.8	153.1	160.2	-81.8	173.8	-174.1	-174.3	1.8	119.4
1469	S	31.1	Very low	29.2	Very low	76 Å²	76	133.7 Å²	133.7	53%	0.531	69%	0.686	S	S	.	*			cis	179.4	152.7	-22	-108.4	0	0	0	0	107.6
1470	F	26	Very low	29.4	Very low	181 Å²	181	135.4 Å²	135.4	79%	0.794	68%	0.68	S	S	*	*			cis	-133.2	-154.9	-5.1	-64.2	-81.3	0	0	0	106.8
1471	K	27.4	Very low	29.3	Very low	158 Å²	158	138.4 Å²	138.4	69%	0.687	68%	0.683	S	S	*	*			cis	-159.2	148	1.4	-149.5	164.7	-176.9	175.7	0	110.1
1472	S	31.2	Very low	29	Very low	107 Å²	107	138.9 Å²	138.9	75%	0.748	69%	0.693	S	S	*	*			trans	84	131.2	154.8	-151.3	0	0	0	0	122
1473	R	28.8	Very low	29	Very low	229 Å²	229	140.8 Å²	140.8	86%	0.864	70%	0.703	S	S	*	*			trans	76.9	110.7	153.5	-86.9	-179.4	171.5	173.5	-1.1	123.4
1474	S	26.8	Very low	28.6	Very low	91 Å²	91	140.9 Å²	140.9	64%	0.636	70%	0.702	S	S	*	*			trans	91.7	89.3	133.5	-58.6	0	0	0	0	121.3	K622	K622-S1474 PolarHBondContact NZ-O 2.97Å
1475	K	28.2	Very low	28.4	Very low	187 Å²	187	140.3 Å²	140.3	81%	0.813	70%	0.699	S	S	*	*			trans	59.2	161.7	145.9	-69.7	-169.8	174.9	-175.2	0	120.3	K622	K622-K1475 PolarHBondContact NZ-O 3.49Å
1476	S	34.4	Very low	27.9	Very low	87 Å²	87	138.2 Å²	138.2	61%	0.608	69%	0.693	S	S	*	*			trans	-131.7	164.9	-143.7	50	0	0	0	0	115	R621	R621-S1476 VanDerWaalsContact CD-C 3.4Å; R621-S1476 WeakPolarHBondContact CD-O 3.41Å; R621-S1476 PolarHBondContact NE-O 3.4Å
1477	R	27.7	Very low	28.2	Very low	145 Å²	145	133.6 Å²	133.6	55%	0.547	68%	0.682	S	S	.	*			trans	-166.8	166.2	149.2	-57.3	177.5	-171.1	161.9	-14.8	107.4	L619 G620 R621	L619-R1477 HydrophobicContact CB-CB 3.84Å; L619-R1477 HydrophobicContact CB-CG 4.41Å; L619-R1477 HydrophobicContact CG-CB 4.21Å; G620-R1477 VanDerWaalsContact CA-CB 3.41Å; G620-R1477 VanDerWaalsContact N-CD 3.27Å; G620-R1477 WeakPolarHBondContact O-CD 3.25Å; G620-R1477 PolarHBondContact O-NH1 3.41Å; R621-R1477 HydrophobicContact CB-CB 3.67Å; R621-R1477 HydrophobicContact CB-CG 4.11Å; R621-R1477 HydrophobicContact CG-CB 3.78Å; R621-R1477 HydrophobicContact CG-CG 3.63Å
1478	S	31.3	Very low	28	Very low	63 Å²	63	134.4 Å²	134.4	44%	0.441	68%	0.683	S	S	.	*	B	Isolated β-bridge	trans	-108.8	-159.9	-171.2	46.8	0	0	0	0	114.3	L619 G620	L619-S1478 VanDerWaalsContact CB-OG 3.23Å; L619-S1478 WeakPolarHBondContact CB-OG 3.41Å; L619-S1478 CarbonylContact O-C 3.44Å; L619-S1478 PolarHBondContact O-N 2.86Å; L619-S1478 PolarHBondContact O-OG 2.92Å; G620-S1478 WeakPolarHBondContact CA-O 3.1Å
1479	I	27.9	Very low	27.8	Very low	102 Å²	102	126.9 Å²	126.9	52%	0.523	67%	0.665	S	S	.	*				-148.9	-157	125.5	-40.7	-174.2	0	0	0	106.2	D1461	D1461-I1479 VanDerWaalsContact OD1-C 3.25Å; D1461-I1479 WeakPolarHBondContact OD2-CB 3.19Å; D1461-I1479 WeakPolarHBondContact OD2-CG2 3.5Å
1480	R	28.9	Very low	27.4	Very low	204 Å²	204	128.3 Å²	128.3	77%	0.77	66%	0.662	S	S	*	*			trans	-164	123.1	-164.7	171.4	-139.4	-74.3	-170	-5.7	111.2	D1461	D1461-R1480 VanDerWaalsContact CG-N 3.3Å; D1461-R1480 PolarHBondContact OD1-N 2.92Å; D1461-R1480 PolarHBondContact OD2-N 2.91Å
1481	D	25.9	Very low	27.4	Very low	120 Å²	120	124 Å²	124	64%	0.642	65%	0.646	S	S	*	*			trans	-152.8	169.7	140.3	-126.5	-31.7	0	0	0	115.7
1482	S	24.1	Very low	27.2	Very low	93 Å²	93	123.9 Å²	123.9	65%	0.65	65%	0.648	S	S	*	*			trans	-109.9	-177.9	-157.4	-40.1	0	0	0	0	113.1
1483	P	31	Very low	26.8	Very low	113 Å²	113	123.4 Å²	123.4	73%	0.734	64%	0.644	S	S	*	*			cis	-138	-157.5	2.1	31.9	-5.9	0	0	0	114.9
1484	I	24	Very low	26.5	Very low	144 Å²	144	120.3 Å²	120.3	74%	0.738	64%	0.639	S	S	*	*			trans	98.7	113.5	160.1	-55.1	177.2	0	0	0	118.1
1485	N	26.5	Very low	26.2	Very low	139 Å²	139	123.4 Å²	123.4	74%	0.743	65%	0.648	S	S	*	*			trans	62.2	99.6	153	-59.9	3.8	0	0	0	123.1
1486	T	23	Very low	25.9	Very low	123 Å²	123	118.9 Å²	118.9	76%	0.755	64%	0.64	S	S	*	*				1.8	161.9	112.8	53.2	0	0	0	0	120.4
1487	P	29.8	Very low	25.3	Very low	91 Å²	91	119.4 Å²	119.4	59%	0.591	64%	0.644	S	S	*	*			cis	-144.5	-173	-28.3	38.3	-18.7	0	0	0	114.6
1488	Q	24	Very low	25.1	Very low	144 Å²	144	117.1 Å²	117.1	67%	0.673	65%	0.65	S	S	*	*			trans	64.4	157.2	144	-84.8	166.1	-32.4	0	0	120.3
1489	S	25	Very low	24.7	Very low	68 Å²	68	119.4 Å²	119.4	48%	0.476	67%	0.666	S	S	.	*			cis	177	170.8	-26.9	47.7	0	0	0	0	111.6
1490	F	24.2	Very low	24.6	Very low	105 Å²	105	119 Å²	119	46%	0.461	67%	0.672	S	S	.	*			trans	76	157	153.7	-58.2	-32.4	0	0	0	119.1	Q544 L545	Q544-F1490 HydrophobicContact CB-CE1 4.01Å; Q544-F1490 HydrophobicContact CB-CZ 4.26Å; Q544-F1490 HydrophobicContact CG-CE1 4Å; L545-F1490 VanDerWaalsContact C-CE2 3.49Å; L545-F1490 WeakPolarHBondContact O-CE2 3.49Å
1491	I	24.8	Very low	24.3	Very low	91 Å²	91	117.6 Å²	117.6	47%	0.467	67%	0.674	S	S	.	*			cis	-155.9	137.7	-10.3	-112.5	160.1	0	0	0	109.2	Q544 L545	Q544-I1491 VanDerWaalsContact OE1-CD1 3.23Å; L545-I1491 HydrophobicContact CD2-CD1 3.98Å
1492	H	24.1	Very low	24.5	Very low	156 Å²	156	123 Å²	123	72%	0.722	69%	0.686	S	S	*	*			trans	47.8	-179.6	150.5	-63.8	-130.8	0	0	0	118.5	Q544	Q544-H1492 PolarHBondContact NE2-NE2 3.39Å; Q544-H1492 PolarHBondContact OE1-NE2 3Å
1493	S	22.6	Very low	24.5	Very low	96 Å²	96	123.1 Å²	123.1	67%	0.671	69%	0.686	S	S	*	*			cis	-149	148.5	-5.8	3	0	0	0	0	110.5
1494	E	21.3	Very low	24.3	Very low	164 Å²	164	124.4 Å²	124.4	77%	0.766	69%	0.686	S	S	*	*			trans	34.1	151.5	135.8	-52.7	-163.5	136.9	0	0	124.6
1495	L	21.5	Very low	24.2	Very low	157 Å²	157	122.6 Å²	122.6	82%	0.822	69%	0.685	S	S	*	*			trans	67.8	141.5	152.7	-68.9	155.9	0	0	0	117.3
1496	S	22.1	Very low	24.1	Very low	91 Å²	91	123 Å²	123	64%	0.636	68%	0.683	S	S	*	*			cis	-160.2	-178.1	-3.7	55	0	0	0	0	111.8
1497	S	21.7	Very low	24.1	Very low	99 Å²	99	123.6 Å²	123.6	69%	0.692	68%	0.677	S	S	*	*			trans	-1.2	151.9	150.2	53	0	0	0	0	120.8
1498	S	22.6	Very low	23.8	Very low	97 Å²	97	126.2 Å²	126.2	68%	0.678	68%	0.679	S	S	*	*			cis	174.1	160.9	-10.2	54.7	0	0	0	0	109.1
1499	S	24	Very low	23.9	Very low	110 Å²	110	129.2 Å²	129.2	77%	0.769	69%	0.685	S	S	*	*			trans	67.4	165.2	158.2	91.5	0	0	0	0	116
1500	S	24.7	Very low	24	Very low	94 Å²	94	129.7 Å²	129.7	66%	0.657	68%	0.683	S	S	*	*			cis	-161.3	156.1	-21.9	-117.4	0	0	0	0	111.7
1501	Q	24.1	Very low	24.3	Very low	174 Å²	174	129.3 Å²	129.3	81%	0.813	69%	0.693	S	S	*	*			trans	38.9	111.4	145.3	-59.8	176.5	-5	0	0	121.3
1502	R	29.8	Very low	24.4	Very low	235 Å²	235	132.3 Å²	132.3	89%	0.887	71%	0.705	S	S	*	*				-174.8	122.5	122.7	-97.3	159.9	-170.7	-171.3	3.3	107.3
1503	S	24.8	Very low	24.8	Very low	94 Å²	94	133.1 Å²	133.1	66%	0.657	71%	0.707	S	S	*	*			cis	77.8	147.9	29.9	95	0	0	0	0	115.1
1504	L	25.9	Very low	25.1	Very low	141 Å²	141	134.1 Å²	134.1	74%	0.738	70%	0.703	S	S	*	*			trans	68.1	135	-161.1	-60.4	106.7	0	0	0	114.2
1505	C	22.8	Very low	25.4	Very low	106 Å²	106	133.3 Å²	133.3	72%	0.716	70%	0.7	S	S	*	*			cis	79.9	147.8	34.5	-54.5	0	0	0	0	112.7
1506	Q	24.2	Very low	25.8	Very low	147 Å²	147	132.6 Å²	132.6	69%	0.687	69%	0.692	S	S	*	*			cis	-152.6	170.6	12.3	-146.4	147.1	-24.7	0	0	115
1507	Q	22.9	Very low	26	Very low	135 Å²	135	134 Å²	134	63%	0.631	69%	0.692	S	S	*	*			trans	-30	149.7	160	-55.7	153.2	-77.6	0	0	115.6
1508	K	23.6	Very low	26.3	Very low	146 Å²	146	135.9 Å²	135.9	64%	0.635	69%	0.693	S	S	*	*				176.5	166.5	115.1	-98.4	-178.7	-174.4	-97.1	0	111.1	D1510	K1508-D1510 WeakPolarHBondContact CE-OD1 3.45Å; K1508-D1510 IonicContact NZ-OD1 3.68Å; K1508-D1510 PolarHBondContact NZ-OD1 3.23Å; K1508-D1510 IonicContact NZ-OD2 3.7Å; K1508-D1510 PolarHBondContact NZ-OD2 2.86Å
1509	Y	26.2	Very low	26.6	Very low	207 Å²	207	137 Å²	137	81%	0.812	70%	0.696	S	S	*	*	S	Bend	cis	-77.1	-175.6	-3.7	-84.2	-84.9	0	0	0	113.1
1510	D	26	Very low	26.6	Very low	79 Å²	79	137.9 Å²	137.9	42%	0.422	70%	0.697	S	S	.	*			trans	-87	-107.6	-159.8	-43.2	-101.3	0	0	0	111.7	K1508	K1508-D1510 WeakPolarHBondContact CE-OD1 3.45Å; K1508-D1510 IonicContact NZ-OD1 3.68Å; K1508-D1510 PolarHBondContact NZ-OD1 3.23Å; K1508-D1510 IonicContact NZ-OD2 3.7Å; K1508-D1510 PolarHBondContact NZ-OD2 2.86Å
1511	S	30.5	Very low	26.6	Very low	97 Å²	97	139 Å²	139	68%	0.678	71%	0.705	S	S	*	*			cis	-156.7	151.2	-10.9	-63.9	0	0	0	0	106.8
1512	E	27.7	Very low	26.6	Very low	154 Å²	154	137.1 Å²	137.1	72%	0.72	71%	0.706	S	S	*	*			cis	-167.7	167.9	-13.9	-110	-170.9	-170	0	0	109.4
1513	K	31.1	Very low	26.5	Very low	173 Å²	173	134.3 Å²	134.3	75%	0.752	71%	0.707	S	S	*	*			trans	78	130.6	165.3	-63.9	-166.4	179.7	-172.6	0	119
1514	I	30.2	Very low	26.4	Very low	117 Å²	117	136.2 Å²	136.2	60%	0.6	72%	0.715	S	S	*	*			cis	-162.4	149.7	-11.7	-132.5	168.8	0	0	0	111.7
1515	E	27.3	Very low	26.5	Very low	147 Å²	147	134.1 Å²	134.1	69%	0.687	72%	0.718	S	S	*	*			trans	60.7	150	157	-66.5	161.9	-140.4	0	0	120.1
1516	H	29	Very low	26.6	Very low	141 Å²	141	138.1 Å²	138.1	65%	0.653	73%	0.726	S	S	*	*			cis	-157.9	139.9	-9.7	-121.3	-43.1	0	0	0	110.7
1517	D	27.4	Very low	26.6	Very low	120 Å²	120	136.2 Å²	136.2	64%	0.642	73%	0.729	S	S	*	*				55.2	150.9	127.8	-77.1	43.6	0	0	0	124.4
1518	L	28.1	Very low	26.9	Very low	139 Å²	139	136.4 Å²	136.4	73%	0.728	74%	0.739	S	S	*	*			cis	-169.2	172.3	-15	-163.2	67.9	0	0	0	111.2
1519	V	28.1	Very low	26.9	Very low	122 Å²	122	133.3 Å²	133.3	74%	0.739	74%	0.741	S	S	*	*			trans	90.1	128	155.6	-172.1	0	0	0	0	120.6
1520	T	23.4	Very low	26.8	Very low	128 Å²	128	129.4 Å²	129.4	79%	0.785	74%	0.744	S	S	*	*			trans	-102.2	151.7	173.8	-44.4	0	0	0	0	111.4
1521	S	26.1	Very low	27	Very low	118 Å²	118	136.3 Å²	136.3	83%	0.825	76%	0.764	S	S	*	*			trans	-175.6	161	138.8	35.1	0	0	0	0	113.6
1522	T	23.8	Very low	27	Very low	134 Å²	134	139.4 Å²	139.4	82%	0.822	77%	0.773	S	S	*	*			trans	-109.7	144.1	-173.4	48.3	0	0	0	0	112.8
1523	L	27.2	Very low	26.8	Very low	175 Å²	175	136.8 Å²	136.8	92%	0.916	78%	0.778	S	S	*	*			trans	-140.4	158.7	158	-95.3	176.5	0	0	0	111.6
1524	T	23.6	Very low	26.6	Very low	135 Å²	135	135.9 Å²	135.9	83%	0.828	78%	0.78	S	S	*	*			trans	-101.6	133.2	-171.6	48.7	0	0	0	0	112.8
1525	A	27.7	Very low	26.6	Very low	97 Å²	97	137.7 Å²	137.7	80%	0.802	79%	0.786	S	S	*	*			trans	-161	121.3	154.9	0	0	0	0	0	113.3
1526	E	25.1	Very low	26.5	Very low	190 Å²	190	137.7 Å²	137.7	89%	0.888	79%	0.789	S	S	*	*			trans	14	125.4	144.1	-56.3	-178	145.5	0	0	122.3
1527	S	23.2	Very low	26.3	Very low	106 Å²	106	138 Å²	138	74%	0.741	80%	0.795	S	S	*	*				29.4	108.8	122.1	-173.1	0	0	0	0	120.1
1528	V	29.2	Very low	26.3	Very low	140 Å²	140	141.5 Å²	141.5	85%	0.848	81%	0.807	S	S	*	*				-141.8	107.9	119.9	-176.6	0	0	0	0	110.3
1529	A	23.7	Very low	26.3	Very low	81 Å²	81	141.8 Å²	141.8	67%	0.669	81%	0.81	S	S	*	*			trans	-139.8	151.5	152.5	0	0	0	0	0	107.7
1530	S	24.9	Very low	26.2	Very low	125 Å²	125	143.2 Å²	143.2	87%	0.874	81%	0.812	S	S	*	*			trans	61.4	97.4	179.4	-57	0	0	0	0	116.5
1531	R	29.1	Very low	26.2	Very low	223 Å²	223	142 Å²	142	84%	0.842	81%	0.809	S	S	*	*			trans	-132	112.8	152.4	-97.9	-172	172.2	134.6	0.3	110
1532	N	30.3	Very low	26.2	Very low	162 Å²	162	144.1 Å²	144.1	87%	0.866	81%	0.81	S	S	*	*	S	Bend	trans	143.4	66.1	146.8	-72.9	-1.1	0	0	0	113.4
1533	A	24.6	Very low	26.2	Very low	100 Å²	100	143.5 Å²	143.5	83%	0.826	81%	0.806	S	S	*	*			trans	-166.1	64.2	160.9	0	0	0	0	0	112.5
1534	L	26.9	Very low	26.1	Very low	154 Å²	154	141.2 Å²	141.2	81%	0.806	81%	0.805	S	S	*	*			trans	-165.8	102	164	-115.8	174.8	0	0	0	112.2
1535	H	29.1	Very low	26.1	Very low	155 Å²	155	139.9 Å²	139.9	72%	0.718	80%	0.801	S	S	*	*				-170.6	129.3	101.4	-119.8	-80	0	0	0	111.3
1536	I	25.4	Very low	25.9	Very low	147 Å²	147	140.8 Å²	140.8	75%	0.754	80%	0.797	S	S	*	*			trans	-102.4	130.2	152	-72.9	179.2	0	0	0	105.7
1537	L	24.8	Very low	25.9	Very low	146 Å²	146	138.3 Å²	138.3	76%	0.764	79%	0.788	S	S	*	*			trans	38.9	112.3	164.3	-59.4	170.5	0	0	0	118.1
1538	Q	28.7	Very low	26.1	Very low	194 Å²	194	141.1 Å²	141.1	91%	0.907	79%	0.79	S	S	*	*				-147.5	159.8	100.9	-120.4	174.1	-9.9	0	0	111.6
1539	N	27.7	Very low	25.9	Very low	146 Å²	146	140 Å²	140	78%	0.781	78%	0.779	S	S	*	*			trans	-101.2	159.5	-169.5	-119.3	-9.4	0	0	0	111.1
1540	L	24.8	Very low	26.1	Very low	152 Å²	152	140.6 Å²	140.6	80%	0.796	78%	0.778	S	S	*	*			trans	81.9	116	164.4	-63.7	159.9	0	0	0	119.2
1541	S	23.4	Very low	26.1	Very low	101 Å²	101	141.1 Å²	141.1	71%	0.706	78%	0.776	S	S	*	*			trans	71.9	149.6	141	-64.5	0	0	0	0	117.1
1542	L	27	Very low	25.8	Very low	163 Å²	163	135.9 Å²	135.9	85%	0.853	77%	0.773	S	S	*	*			cis	-123.4	148	31.9	-75.7	155.1	0	0	0	115.9
1543	T	23.4	Very low	25.5	Very low	122 Å²	122	132.2 Å²	132.2	75%	0.748	76%	0.76	S	S	*	*			trans	-62.8	146.3	159.5	44.8	0	0	0	0	111
1544	S	24.7	Very low	25.5	Very low	126 Å²	126	135.5 Å²	135.5	88%	0.881	76%	0.755	S	S	*	*			trans	-161.7	103.1	157.3	-88.4	0	0	0	0	113.4
1545	S	24.2	Very low	25.3	Very low	107 Å²	107	134.9 Å²	134.9	75%	0.748	75%	0.752	S	S	*	*			trans	-154.8	121.9	151.8	56.3	0	0	0	0	106.9
1546	T	24.5	Very low	25	Very low	116 Å²	116	134.3 Å²	134.3	71%	0.712	75%	0.754	S	S	*	*			cis	-166	160.4	5	6.8	0	0	0	0	108.5
1547	I	24.9	Very low	25.1	Very low	139 Å²	139	132.2 Å²	132.2	71%	0.713	75%	0.752	S	S	*	*			trans	46.3	98	140.3	-58	162	0	0	0	114
1548	E	26.5	Very low	25.2	Very low	165 Å²	165	132.4 Å²	132.4	77%	0.771	75%	0.749	S	S	*	*				-168.5	166.9	73.9	-76.8	-149.6	178.8	0	0	110.7
1549	N	26	Very low	25.2	Very low	115 Å²	115	128.7 Å²	128.7	62%	0.615	74%	0.735	S	S	*	*			cis	-161.5	170.7	-26.8	-110.4	-34.4	0	0	0	107.6
1550	S	27.2	Very low	25.2	Very low	95 Å²	95	126.6 Å²	126.6	66%	0.664	73%	0.732	S	S	*	*			trans	56.5	110.5	163.9	49.3	0	0	0	0	117.6
1551	T	24.4	Very low	25.5	Very low	135 Å²	135	125.9 Å²	125.9	83%	0.828	73%	0.728	S	S	*	*				55.8	135.4	66.3	75.9	0	0	0	0	113.2
1552	C	23.2	Very low	26	Very low	114 Å²	114	128.5 Å²	128.5	77%	0.77	73%	0.728	S	S	*	*			cis	-173.1	-167.5	-9	175	0	0	0	0	105.2
1553	S	23.6	Very low	26.2	Very low	85 Å²	85	125.5 Å²	125.5	59%	0.594	72%	0.721	S	S	*	*			trans	78.2	142.8	153.9	-65.3	0	0	0	0	116.2
1554	K	25.1	Very low	26.4	Very low	169 Å²	169	125.9 Å²	125.9	74%	0.735	71%	0.714	S	S	*	*			cis	-157.5	163	-4.4	-115.2	161.1	-171.3	174.9	0	109
1555	L	22.2	Very low	26.6	Very low	141 Å²	141	127.2 Å²	127.2	74%	0.738	71%	0.707	S	S	*	*			trans	25.6	144.2	135.9	-54.2	165.1	0	0	0	118
1556	L	23.7	Very low	26.8	Very low	143 Å²	143	126.9 Å²	126.9	75%	0.749	70%	0.704	S	S	*	*			cis	-128.3	-168	30.7	-61.6	146.2	0	0	0	108.5
1557	S	26.7	Very low	26.8	Very low	103 Å²	103	128.2 Å²	128.2	72%	0.72	70%	0.704	S	S	*	*			cis	-168.8	157.1	12.7	-5.3	0	0	0	0	105.4
1558	E	27.7	Very low	26.9	Very low	150 Å²	150	127 Å²	127	70%	0.701	70%	0.704	S	S	*	*			cis	-163.4	168.8	-1.8	-132.1	180	-147.8	0	0	110.8
1559	N	29	Very low	26.7	Very low	116 Å²	116	124.3 Å²	124.3	62%	0.62	70%	0.702	S	S	*	*			trans	46.6	108.5	145.5	-76.9	-40.2	0	0	0	120.4
1560	S	26.8	Very low	26.6	Very low	101 Å²	101	122.2 Å²	122.2	71%	0.706	71%	0.708	S	S	*	*				88.9	165.4	84.4	-68.8	0	0	0	0	110.9
1561	I	31.3	Very low	26.7	Very low	138 Å²	138	125.1 Å²	125.1	71%	0.708	72%	0.715	S	S	*	*			cis	-141.9	130.4	27.2	-67.4	167.8	0	0	0	111.4
1562	H	34	Very low	27	Very low	156 Å²	156	127.7 Å²	127.7	72%	0.722	71%	0.714	S	S	*	*			trans	62	168.7	158.2	-67.2	-0.4	0	0	0	117.8
1563	S	31.2	Very low	27.2	Very low	99 Å²	99	130.5 Å²	130.5	69%	0.692	72%	0.721	S	S	*	*			cis	-126.5	127.3	-8.3	-29.3	0	0	0	0	107.8
1564	Q	28.5	Very low	27.3	Very low	130 Å²	130	133 Å²	133	61%	0.607	72%	0.723	S	S	*	*				53	114.6	99.7	-64.7	-171.6	-5.1	0	0	116.1
1565	Q	27.5	Very low	27.4	Very low	155 Å²	155	131.3 Å²	131.3	72%	0.724	72%	0.716	S	S	*	*				76.1	160	128.6	-62	166.1	20.6	0	0	117.5
1566	S	28	Very low	27.6	Very low	100 Å²	100	132 Å²	132	70%	0.699	72%	0.72	S	S	*	*			cis	-119.3	146.7	-4.1	87	0	0	0	0	109.7
1567	M	25	Very low	27.8	Very low	144 Å²	144	130 Å²	130	71%	0.709	71%	0.71	S	S	*	*				47.9	126.1	86.5	-46.6	-63.6	178.9	0	0	112.3
1568	T	27.2	Very low	27.9	Very low	114 Å²	114	131.2 Å²	131.2	70%	0.699	71%	0.707	S	S	*	*			cis	-162.2	167.1	7.6	1.7	0	0	0	0	112.8
1569	S	22.6	Very low	27.6	Very low	107 Å²	107	130.5 Å²	130.5	75%	0.748	71%	0.708	S	S	*	*			trans	-29.1	154.1	141.9	52.4	0	0	0	0	114.2
1570	G	24.7	Very low	27.3	Very low	71 Å²	71	131.2 Å²	131.2	73%	0.732	72%	0.716	S	S	*	*			cis	135.9	115.6	19.3	0	0	0	0	0	107.4
1571	I	27.6	Very low	27.2	Very low	156 Å²	156	132.4 Å²	132.4	80%	0.8	72%	0.719	S	S	*	*			trans	-144	125	-174.6	-53.6	178.1	0	0	0	103.2
1572	K	31.3	Very low	26.9	Very low	189 Å²	189	134.4 Å²	134.4	82%	0.822	72%	0.723	S	S	*	*			cis	-144.9	143.7	13.9	-132.7	164.6	-175.4	178.1	0	108.8
1573	L	28.3	Very low	26.3	Very low	174 Å²	174	131.3 Å²	131.3	91%	0.911	72%	0.718	S	S	*	*			trans	-141	79.3	166.3	-146.4	177.7	0	0	0	109.7
1574	E	24.6	Very low	25.9	Very low	138 Å²	138	134.9 Å²	134.9	65%	0.645	72%	0.724	S	S	*	*			trans	-152.2	147.8	173.2	-76.8	-155.6	149.4	0	0	106.9
1575	K	28.6	Very low	25.7	Very low	133 Å²	133	133.8 Å²	133.8	58%	0.578	73%	0.726	S	S	*	*			cis	-148.2	152.4	1.3	-117.9	159.9	-176.6	143.4	0	106
1576	L	25.1	Very low	25.4	Very low	156 Å²	156	131.2 Å²	131.2	82%	0.817	73%	0.725	S	S	*	*				-158.9	156.4	56.8	-77.5	170.3	0	0	0	108.9
1577	N	27.7	Very low	25.5	Very low	101 Å²	101	132.4 Å²	132.4	54%	0.54	72%	0.723	S	S	.	*			cis	-169.6	165.7	-23.4	-139.5	22.5	0	0	0	108.5
1578	I	28.3	Very low	25.7	Very low	128 Å²	128	132.1 Å²	132.1	66%	0.656	73%	0.725	S	S	*	*			trans	67.4	100.1	153	-61.5	160.5	0	0	0	118.1
1579	D	23.2	Very low	25.7	Very low	135 Å²	135	133.1 Å²	133.1	72%	0.722	73%	0.726	S	S	*	*				42.2	131.1	119.8	-54.4	-55.1	0	0	0	124.3
1580	V	22.5	Very low	25.8	Very low	131 Å²	131	136 Å²	136	79%	0.794	73%	0.727	S	S	*	*				39.9	95.1	125	-167	0	0	0	0	118.7
1581	T	24.6	Very low	25.8	Very low	125 Å²	125	137 Å²	137	77%	0.767	72%	0.724	S	S	*	*				-169.1	135.8	125.9	19.5	0	0	0	0	106.2
1582	K	24.2	Very low	25.6	Very low	181 Å²	181	133.1 Å²	133.1	79%	0.787	70%	0.704	S	S	*	*				67	115.5	56	-161.3	-165.7	-176.3	-170.8	0	111.9
1583	S	21.3	Very low	25.4	Very low	90 Å²	90	128.5 Å²	128.5	63%	0.629	69%	0.689	S	S	*	*			trans	61.1	144.7	169	37	0	0	0	0	115.6
1584	E	22.8	Very low	25.3	Very low	175 Å²	175	123.8 Å²	123.8	82%	0.818	66%	0.662	S	S	*	*			cis	-166.1	-177.7	0.6	-118.8	158.7	-151.4	0	0	109.1
1585	V	24	Very low	25.3	Very low	107 Å²	107	122.9 Å²	122.9	65%	0.648	66%	0.661	S	S	*	*			trans	38.7	95.9	143.6	175.8	0	0	0	0	117
1586	S	22.6	Very low	25.2	Very low	101 Å²	101	123.5 Å²	123.5	71%	0.706	67%	0.67	S	S	*	*				89.6	179.2	98.8	-53.3	0	0	0	0	112.3
1587	D	28.9	Very low	25.3	Very low	124 Å²	124	121.5 Å²	121.5	66%	0.663	66%	0.664	S	S	*	*			cis	-139.3	166.5	5.5	-76.3	-69.3	0	0	0	110.4
1588	D	29.1	Very low	25.2	Very low	139 Å²	139	123.4 Å²	123.4	74%	0.743	67%	0.674	S	S	*	*			trans	53.5	147.4	155.2	-51.3	-19.1	0	0	0	120.6
1589	D	27.8	Very low	25.1	Very low	135 Å²	135	123.8 Å²	123.8	72%	0.722	68%	0.677	S	S	*	*			cis	-150.7	139.6	-11.1	-103.9	-35.1	0	0	0	105.5
1590	H	25.4	Very low	25.3	Very low	166 Å²	166	121.7 Å²	121.7	77%	0.769	67%	0.674	S	S	*	*				65.5	115.1	59.2	-103.1	-49.4	0	0	0	117.7
1591	S	23.2	Very low	25.4	Very low	94 Å²	94	126 Å²	126	66%	0.657	68%	0.675	S	S	*	*			trans	75	164.6	139.7	81.3	0	0	0	0	119.8
1592	D	23.6	Very low	25.6	Very low	73 Å²	73	123.5 Å²	123.5	39%	0.39	66%	0.66	S	S	.	*			cis	-179.3	167.2	-23.8	-96.1	-4	0	0	0	111.8	L1013 N1014 D1015	L1013-D1592 VanDerWaalsContact CD1-OD2 3.32Å; L1013-D1592 WeakPolarHBondContact CD1-OD2 3.4Å; N1014-D1592 HydrophobicContact CB-CB 3.75Å; N1014-D1592 WeakPolarHBondContact CB-OD1 3.17Å; N1014-D1592 VanDerWaalsContact ND2-CB 3.33Å; N1014-D1592 WeakPolarHBondContact ND2-CB 3.47Å; N1014-D1592 PolarHBondContact ND2-OD2 2.89Å; D1015-D1592 CarbonylContact O-C 3.57Å; D1015-D1592 WeakPolarHBondContact O-CA 3.41Å
1593	N	27.7	Very low	25.6	Very low	93 Å²	93	123.9 Å²	123.9	50%	0.497	66%	0.662	S	S	.	*			trans	153.3	8.4	164.4	-86	3.4	0	0	0	124.6	N1014 D1015	N1014-N1593 WeakPolarHBondContact CB-OD1 3.01Å; N1014-N1593 PolarHBondContact ND2-OD1 2.95Å; N1014-N1593 PolarHBondContact OD1-OD1 2.95Å; D1015-N1593 PolarHBondContact O-N 2.71Å
1594	Q	24.9	Very low	25.8	Very low	74 Å²	74	129 Å²	129	35%	0.346	68%	0.676	S	S	.	*			trans	59.8	147.7	158.8	-78.2	-179.4	17	0	0	126	N1014 D1015	N1014-Q1594 HydrophobicContact CB-CG 4.02Å; N1014-Q1594 VanDerWaalsContact OD1-CD 3.24Å; N1014-Q1594 VanDerWaalsContact OD1-CG 3.24Å; N1014-Q1594 WeakPolarHBondContact OD1-CG 3.38Å; N1014-Q1594 PolarHBondContact OD1-NE2 2.81Å; D1015-Q1594 VanDerWaalsContact OD2-CA 3.25Å; D1015-Q1594 WeakPolarHBondContact OD2-CA 3.49Å
1595	N	25.1	Very low	26	Very low	119 Å²	119	130.2 Å²	130.2	64%	0.636	67%	0.674	S	S	*	*			trans	102.4	139	153	-54.8	-78.3	0	0	0	116	D1015	D1015-N1595 PolarHBondContact OD2-N 3.47Å
1596	I	27.9	Very low	25.9	Very low	147 Å²	147	134.9 Å²	134.9	75%	0.754	69%	0.686	S	S	*	*			cis	-155.6	134.3	47.9	-81.9	178.9	0	0	0	113.2
1597	T	26.5	Very low	25.9	Very low	113 Å²	113	134.6 Å²	134.6	69%	0.693	68%	0.684	S	S	*	*			trans	55.7	127.3	156.5	58.7	0	0	0	0	125.7
1598	D	25.6	Very low	25.8	Very low	142 Å²	142	133.3 Å²	133.3	76%	0.759	69%	0.685	S	S	*	*				90.5	116.9	129.2	-60.1	2	0	0	0	125.1
1599	D	26.3	Very low	25.7	Very low	135 Å²	135	136.9 Å²	136.9	72%	0.722	69%	0.689	S	S	*	*			trans	49.9	116.8	143.9	-74.4	-17.7	0	0	0	124.6
1600	S	27.8	Very low	25.5	Very low	92 Å²	92	133.3 Å²	133.3	64%	0.643	68%	0.675	S	S	*	*				171.8	144.1	107.8	-76.4	0	0	0	0	114.3
1601	R	24.7	Very low	25.5	Very low	220 Å²	220	131.6 Å²	131.6	83%	0.83	68%	0.679	S	S	*	*			trans	-118.7	152.8	170.9	-81.9	179	169.1	167.1	-4	111.6
1602	T	28.1	Very low	25.6	Very low	73 Å²	73	132.2 Å²	132.2	45%	0.448	67%	0.667	S	S	.	*			trans	158.4	99.3	147.7	-73.7	0	0	0	0	108.3	Y767	Y767-T1602 HydrophobicContact CD1-CG2 4.3Å; Y767-T1602 WeakPolarHBondContact CD1-OG1 3.43Å; Y767-T1602 HydrophobicContact CD2-CG2 4.14Å; Y767-T1602 HydrophobicContact CE1-CG2 4.23Å; Y767-T1602 HydrophobicContact CE2-CG2 4.07Å; Y767-T1602 HydrophobicContact CG-CG2 4.26Å
1603	F	23.5	Very low	25.6	Very low	190 Å²	190	137.1 Å²	137.1	83%	0.833	69%	0.685	S	S	*	*				50.1	110.5	78.3	-86.5	-80.9	0	0	0	116
1604	H	26.5	Very low	25.4	Very low	197 Å²	197	138.3 Å²	138.3	91%	0.912	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-81.7	133.5	179	-97.4	-93.5	0	0	0	112.7
1605	Y	25.9	Very low	25.5	Very low	201 Å²	201	138.8 Å²	138.8	79%	0.788	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-85	146.1	176.3	-105.7	-106.7	0	0	0	113
1606	F	21.8	Very low	25.6	Very low	205 Å²	205	138.6 Å²	138.6	90%	0.899	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-99.6	163.1	149.9	-106.2	-96.9	0	0	0	109.2
1607	S	24.6	Very low	25.4	Very low	94 Å²	94	139.1 Å²	139.1	66%	0.657	71%	0.714	S	S	*	*			trans	90.9	124.3	162.7	-158.5	0	0	0	0	120.1
1608	S	26.6	Very low	25.4	Very low	98 Å²	98	142.7 Å²	142.7	69%	0.685	72%	0.723	S	S	*	*			trans	178.7	110.3	142.7	57.9	0	0	0	0	105.9
1609	Y	25.5	Very low	25.5	Very low	213 Å²	213	143.6 Å²	143.6	84%	0.835	72%	0.723	S	S	*	*			cis	59.5	115	22.3	-82.2	-73.1	0	0	0	114.8
1610	S	24.5	Very low	25.3	Very low	60 Å²	60	141.3 Å²	141.3	42%	0.42	72%	0.723	S	S	.	*			trans	-110.6	139.8	176.1	175.1	0	0	0	0	109.4	R1612	S1610-R1612 PolarHBondContact O-N 2.84Å
1611	P	25.4	Very low	25.1	Very low	130 Å²	130	148.1 Å²	148.1	84%	0.844	74%	0.735	S	S	*	*			trans	-81	73.6	-174.4	33.8	-36.6	0	0	0	112.8	F1613	P1611-F1613 PolarHBondContact O-N 3.29Å
1612	R	24.3	Very low	25.1	Very low	108 Å²	108	146.1 Å²	146.1	41%	0.408	74%	0.737	S	S	.	*			trans	-87.1	84	161.3	-81.3	-162.6	177	-158.3	-0.5	110.5	D981 S1132 L1133 S1610	D981-R1612 IonicContact OD2-CZ 3.57Å; D981-R1612 IonicContact OD2-NE 3.75Å; D981-R1612 IonicContact OD2-NH2 3.95Å; D981-R1612 PolarHBondContact OD2-NH2 3.37Å; S1132-R1612 PolarHBondContact OG-NH1 2.9Å; L1133-R1612 PolarHBondContact O-NH2 2.93Å; S1610-R1612 PolarHBondContact O-N 2.84Å
1613	F	24.5	Very low	24.9	Very low	176 Å²	176	149.5 Å²	149.5	77%	0.772	75%	0.752	S	S	*	*			trans	-166.8	103.7	163.8	-108.6	-70.3	0	0	0	110.9	P1611	P1611-F1613 PolarHBondContact O-N 3.29Å
1614	S	23.8	Very low	25.1	Very low	118 Å²	118	147.4 Å²	147.4	83%	0.825	75%	0.745	S	S	*	*			trans	-172.4	40.4	158.1	-87.1	0	0	0	0	115.5
1615	V	26.8	Very low	25.2	Very low	84 Å²	84	146.4 Å²	146.4	51%	0.509	75%	0.745	S	S	.	*	S	Bend	trans	-132.2	44.2	162.9	-159	0	0	0	0	111.8
1616	V	26.3	Very low	25.1	Very low	114 Å²	114	147 Å²	147	69%	0.691	75%	0.746	S	S	*	*	S	Bend	trans	-136.2	44.8	173.8	-161.2	0	0	0	0	110.8
1617	L	25.2	Very low	25.4	Very low	158 Å²	158	142.5 Å²	142.5	83%	0.827	73%	0.731	S	S	*	*			trans	-144.2	34.3	-176.7	-146.2	90.1	0	0	0	116.2
1618	E	26.1	Very low	25.4	Very low	188 Å²	188	145.2 Å²	145.2	88%	0.879	74%	0.739	S	S	*	*	S	Bend	trans	-123.7	10	171.1	-159.5	57.6	-140.5	0	0	112.7
1619	Q	26.6	Very low	25.3	Very low	161 Å²	161	144.9 Å²	144.9	75%	0.752	74%	0.736	S	S	*	*	S	Bend	trans	-138.9	13.1	-174.1	-139.7	151.7	16	0	0	115
1620	A	23	Very low	25.3	Very low	88 Å²	88	141.9 Å²	141.9	73%	0.727	74%	0.735	S	S	*	*	S	Bend	trans	-136.2	36.3	179.8	0	0	0	0	0	112.8
1621	R	24	Very low	25.4	Very low	235 Å²	235	144.2 Å²	144.2	89%	0.887	75%	0.747	S	S	*	*	S	Bend	trans	-142.9	35.1	170.3	-147.8	177.4	-174.8	151.4	5.8	115.2
1622	M	24.2	Very low	25.3	Very low	178 Å²	178	142.1 Å²	142.1	88%	0.877	74%	0.735	S	S	*	*	S	Bend	trans	-130.5	59	158.9	-85.2	-63.5	-69.4	0	0	109.3
1623	N	24.4	Very low	25.4	Very low	144 Å²	144	141.7 Å²	141.7	77%	0.77	74%	0.74	S	S	*	*	S	Bend	trans	176.1	160.9	151.6	-88.3	-9	0	0	0	106.5
1624	E	27.1	Very low	25.3	Very low	146 Å²	146	139.8 Å²	139.8	68%	0.682	74%	0.738	S	S	*	*			trans	70.4	45.9	-175.2	-50	-134.2	120.8	0	0	117.1	R1626 N1627	E1624-R1626 VanDerWaalsContact CA-O 3.27Å; E1624-R1626 WeakPolarHBondContact CA-O 3.36Å; E1624-R1626 WeakPolarHBondContact CG-O 3.38Å; E1624-N1627 PolarHBondContact OE1-N 3.19Å
1625	L	28	Very low	25.3	Very low	175 Å²	175	138.8 Å²	138.8	92%	0.916	73%	0.731	S	S	*	*	S	Bend		-82.3	130.8	106.9	-79.2	168.3	0	0	0	106.3
1626	R	25.3	Very low	25.2	Very low	213 Å²	213	141.8 Å²	141.8	80%	0.804	75%	0.745	S	S	*	*	S	Bend	trans	67.6	115.7	-157.5	-67.6	-179.2	161	-176	-5.8	113.5	E1624	E1624-R1626 VanDerWaalsContact CA-O 3.27Å; E1624-R1626 WeakPolarHBondContact CA-O 3.36Å; E1624-R1626 WeakPolarHBondContact CG-O 3.38Å
1627	N	26.4	Very low	25.2	Very low	111 Å²	111	142.4 Å²	142.4	59%	0.594	74%	0.744	S	S	*	*			cis	-150.2	146.3	11.9	-73.9	-48.6	0	0	0	113.2	E1624	E1624-N1627 PolarHBondContact OE1-N 3.19Å
1628	N	25.7	Very low	25.5	Very low	151 Å²	151	140.9 Å²	140.9	81%	0.807	74%	0.741	S	S	*	*			trans	-174.3	139.8	139.6	-96.7	-46.6	0	0	0	109.6
1629	S	24.5	Very low	25.7	Very low	91 Å²	91	138.5 Å²	138.5	64%	0.636	73%	0.734	S	S	*	*			cis	-162.4	129.7	-22.9	22.9	0	0	0	0	109.1
1630	N	25.5	Very low	25.9	Very low	150 Å²	150	136.4 Å²	136.4	80%	0.802	74%	0.735	S	S	*	*			trans	-152.5	108.5	156.5	-95.9	-33.1	0	0	0	107.7
1631	T	27.1	Very low	26.1	Very low	110 Å²	110	138 Å²	138	68%	0.675	74%	0.735	S	S	*	*				34.6	102	125.8	48.9	0	0	0	0	116.7
1632	S	22.4	Very low	26.1	Very low	85 Å²	85	131.1 Å²	131.1	59%	0.594	72%	0.723	S	S	*	*				67.3	103.8	68.4	78.7	0	0	0	0	114.1
1633	L	26.3	Very low	26.1	Very low	99 Å²	99	129.2 Å²	129.2	52%	0.518	71%	0.712	S	S	.	*			trans	168.8	124.1	138.4	-85.9	176.2	0	0	0	104	S505	S505-L1633 WeakPolarHBondContact OG-CD1 3.46Å
1634	N	23.8	Very low	26.1	Very low	136 Å²	136	130 Å²	130	73%	0.727	71%	0.709	S	S	*	*			cis	98.4	153.3	38	-77.5	11.9	0	0	0	112.6
1635	S	23.7	Very low	26.4	Very low	98 Å²	98	130 Å²	130	69%	0.685	71%	0.713	S	S	*	*			trans	57.3	97.3	151.8	54.6	0	0	0	0	119.3
1636	N	24.4	Very low	26.6	Very low	147 Å²	147	127.7 Å²	127.7	79%	0.786	71%	0.709	S	S	*	*	S	Bend		-80.8	138.7	102.4	-80.1	77.8	0	0	0	107.4
1637	D	25.9	Very low	26.7	Very low	126 Å²	126	124.8 Å²	124.8	67%	0.674	71%	0.708	S	S	*	*	S	Bend	cis	-156.9	158.7	-5.6	-80.6	-42.7	0	0	0	105.4
1638	V	30.3	Very low	26.9	Very low	127 Å²	127	127.8 Å²	127.8	77%	0.77	72%	0.719	S	S	*	*			cis	-153.1	149.1	2.9	94.4	0	0	0	0	109.8
1639	D	31.5	Very low	27.1	Very low	137 Å²	137	125.8 Å²	125.8	73%	0.733	71%	0.712	S	S	*	*			trans	-85.4	161.3	166	-70.7	-61.1	0	0	0	111.4	V1641	D1639-V1641 HydrophobicContact CB-CG2 4.12Å
1640	P	30.8	Very low	27	Very low	118 Å²	118	126.4 Å²	126.4	77%	0.766	72%	0.716	S	S	*	*				-126.5	144.1	105.1	-0.3	21.9	0	0	0	113.1
1641	V	25.8	Very low	27.2	Very low	120 Å²	120	124.6 Å²	124.6	73%	0.727	72%	0.715	S	S	*	*			cis	70.4	130.4	44	-177.8	0	0	0	0	110.4	D1639	D1639-V1641 HydrophobicContact CB-CG2 4.12Å
1642	S	25	Very low	27.4	Very low	92 Å²	92	124.1 Å²	124.1	64%	0.643	71%	0.714	S	S	*	*			cis	-150.1	150.9	32.6	88.9	0	0	0	0	112.6
1643	E	24.3	Very low	27.6	Very low	138 Å²	138	130.1 Å²	130.1	65%	0.645	72%	0.724	S	S	*	*				69.5	151.3	87	-56.8	-165.8	157.1	0	0	116.5
1644	K	25.2	Very low	27.8	Very low	161 Å²	161	132.8 Å²	132.8	70%	0.7	74%	0.737	S	S	*	*			cis	-162	166.3	-6.2	-118.4	167.8	-164	150.3	0	113.4
1645	N	32.4	Very low	27.9	Very low	145 Å²	145	131.4 Å²	131.4	78%	0.775	73%	0.729	S	S	*	*			trans	-51.4	168.8	167.4	-52.2	-47.8	0	0	0	115.9
1646	P	33.1	Very low	28	Very low	126 Å²	126	133.9 Å²	133.9	82%	0.818	73%	0.734	S	S	*	*				-149.1	-176	83.3	39.5	-19.7	0	0	0	117.9
1647	L	26.5	Very low	28.2	Very low	153 Å²	153	130 Å²	130	80%	0.801	72%	0.723	S	S	*	*			trans	-88.2	172.7	-170	-62.5	67.3	0	0	0	114.5
1648	H	30.3	Very low	28.3	Very low	174 Å²	174	129.7 Å²	129.7	81%	0.806	73%	0.731	S	S	*	*			trans	-156.8	150.1	137.7	-125.3	-93.3	0	0	0	116.9
1649	T	30.3	Very low	28.2	Very low	109 Å²	109	127.6 Å²	127.6	67%	0.669	72%	0.722	S	S	*	*			trans	57.3	100	155.6	37.8	0	0	0	0	123.8
1650	S	23.1	Very low	27.9	Very low	104 Å²	104	128 Å²	128	73%	0.727	72%	0.724	S	S	*	*				38.3	138.5	112.9	65.6	0	0	0	0	123.9
1651	S	28.8	Very low	27.7	Very low	111 Å²	111	127.5 Å²	127.5	78%	0.776	72%	0.715	S	S	*	*			trans	-50	164.4	160.8	-33.1	0	0	0	0	114.9
1652	P	31.7	Very low	27.9	Very low	101 Å²	101	128.6 Å²	128.6	66%	0.656	71%	0.71	S	S	*	*				-156.7	141.4	98.3	36.6	-17.1	0	0	0	118.9
1653	R	26	Very low	27.8	Very low	211 Å²	211	129.4 Å²	129.4	80%	0.796	71%	0.707	S	S	*	*			trans	64.2	-178.3	142.4	-58.2	169.3	-173.5	150.5	0	113.9
1654	I	31.9	Very low	27.8	Very low	154 Å²	154	127.5 Å²	127.5	79%	0.79	70%	0.7	S	S	*	*			cis	-124.4	122.8	7.3	-78.2	173.7	0	0	0	107
1655	N	25.6	Very low	27.7	Very low	107 Å²	107	125 Å²	125	57%	0.572	69%	0.689	S	S	*	*				68	151.5	67.4	-69.4	-5.3	0	0	0	112.4
1656	L	25.7	Very low	27.2	Very low	150 Å²	150	127.3 Å²	127.3	79%	0.785	69%	0.687	S	S	*	*			cis	-141.7	173.7	-1.4	-154.1	68.8	0	0	0	109.8
1657	A	28.2	Very low	27.3	Very low	67 Å²	67	124.5 Å²	124.5	55%	0.554	68%	0.681	S	S	*	*			trans	-47.6	141.2	167.5	0	0	0	0	0	114.7
1658	S	28	Very low	27.3	Very low	119 Å²	119	121.4 Å²	121.4	83%	0.832	67%	0.666	S	S	*	*				-131.7	122.5	105.6	-67.9	0	0	0	0	106.4
1659	S	28.2	Very low	27.6	Very low	83 Å²	83	119.1 Å²	119.1	58%	0.58	67%	0.666	S	S	*	*				62.6	128.1	56	-55.4	0	0	0	0	111.4
1660	N	25.5	Very low	27.4	Very low	145 Å²	145	120.5 Å²	120.5	78%	0.775	67%	0.665	S	S	*	*			trans	64.2	135.6	175.2	-50.5	-24.6	0	0	0	112
1661	N	27.1	Very low	27.4	Very low	108 Å²	108	121.3 Å²	121.3	58%	0.578	66%	0.66	S	S	*	*			cis	179.1	168.4	13.5	-116.2	-15.3	0	0	0	105
1662	F	29.7	Very low	27.4	Very low	142 Å²	142	121.5 Å²	121.5	62%	0.623	66%	0.659	S	S	*	*			cis	-92.6	169.3	-26.8	-82.1	-103.5	0	0	0	106.3	I1664	F1662-I1664 HydrophobicContact CB-CD1 4.25Å; F1662-I1664 HydrophobicContact CB-CG1 4.29Å; F1662-I1664 HydrophobicContact CD1-CD1 4.3Å; F1662-I1664 HydrophobicContact CD1-CG1 4.48Å; F1662-I1664 HydrophobicContact CG-CD1 4.38Å
1663	N	22.8	Very low	27.3	Very low	109 Å²	109	125.6 Å²	125.6	58%	0.583	67%	0.667	S	S	*	*			cis	56.7	162.6	43.9	-178.1	0.3	0	0	0	110.6	K1665	N1663-K1665 VanDerWaalsContact CG-NZ 3.32Å; N1663-K1665 PolarHBondContact ND2-NZ 3.3Å; N1663-K1665 VanDerWaalsContact OD1-CE 3.3Å; N1663-K1665 WeakPolarHBondContact OD1-CE 3.33Å; N1663-K1665 PolarHBondContact OD1-NZ 2.19Å
1664	I	23.6	Very low	27.2	Very low	99 Å²	99	119.2 Å²	119.2	51%	0.508	67%	0.666	S	S	.	*			trans	100.8	98.1	178.1	-59.9	173	0	0	0	110.2	F1662	F1662-I1664 HydrophobicContact CB-CD1 4.25Å; F1662-I1664 HydrophobicContact CB-CG1 4.29Å; F1662-I1664 HydrophobicContact CD1-CD1 4.3Å; F1662-I1664 HydrophobicContact CD1-CG1 4.48Å; F1662-I1664 HydrophobicContact CG-CD1 4.38Å
1665	K	23.1	Very low	26.8	Very low	108 Å²	108	119 Å²	119	47%	0.47	67%	0.667	S	S	.	*				61.2	170.1	62.3	-48.1	173.2	-156.8	87.6	0	109.7	N1663	N1663-K1665 VanDerWaalsContact CG-NZ 3.32Å; N1663-K1665 PolarHBondContact ND2-NZ 3.3Å; N1663-K1665 VanDerWaalsContact OD1-CE 3.3Å; N1663-K1665 WeakPolarHBondContact OD1-CE 3.33Å; N1663-K1665 PolarHBondContact OD1-NZ 2.19Å
1666	R	22.9	Very low	26.7	Very low	193 Å²	193	118.9 Å²	118.9	73%	0.728	67%	0.673	S	S	*	*			cis	-136.9	154.7	3.8	-101.9	111.9	173.9	-171.5	-4.6	105.6
1667	G	34.9	Very low	26.8	Very low	68 Å²	68	121 Å²	121	70%	0.701	68%	0.676	S	S	*	*			cis	-97.8	172.9	3.4	0	0	0	0	0	115.1
1668	N	25.1	Very low	26.5	Very low	88 Å²	88	127.7 Å²	127.7	47%	0.471	69%	0.693	S	S	.	*			cis	44.6	102.6	-0.7	-95.3	45.9	0	0	0	116.5	E1670	N1668-E1670 HydrophobicContact CB-CG 4.22Å; N1668-E1670 VanDerWaalsContact ND2-CG 3.34Å; N1668-E1670 WeakPolarHBondContact ND2-CG 3.17Å
1669	P	38	Very low	26.5	Very low	126 Å²	126	125.9 Å²	125.9	82%	0.818	69%	0.685	S	S	*	*				-78.2	122.5	69.4	-30.6	38.9	0	0	0	113.1
1670	E	25.7	Very low	26.4	Very low	137 Å²	137	127.4 Å²	127.4	64%	0.64	69%	0.693	S	S	*	*				67	116.5	65.5	-61.9	-172.1	158.6	0	0	110.2	N1668	N1668-E1670 HydrophobicContact CB-CG 4.22Å; N1668-E1670 VanDerWaalsContact ND2-CG 3.34Å; N1668-E1670 WeakPolarHBondContact ND2-CG 3.17Å
1671	L	23.9	Very low	26.3	Very low	121 Å²	121	125.9 Å²	125.9	63%	0.634	69%	0.689	S	S	*	*				63.6	155.3	73	-69.4	166.2	0	0	0	112.1	K1673	L1671-K1673 HydrophobicContact CD2-CD 4.07Å; L1671-K1673 HydrophobicContact CD2-CG 4.06Å
1672	P	27.7	Very low	26	Very low	115 Å²	115	127.8 Å²	127.8	75%	0.747	70%	0.695	S	S	*	*			cis	-108.7	166	-2	8.6	16.6	0	0	0	111.8
1673	K	30	Very low	25.7	Very low	188 Å²	188	127.5 Å²	127.5	82%	0.817	70%	0.695	S	S	*	*				56.5	57.1	54.9	-69.6	-167.3	176	-174.5	0	115.2	L1671	L1671-K1673 HydrophobicContact CD2-CD 4.07Å; L1671-K1673 HydrophobicContact CD2-CG 4.06Å
1674	G	24.1	Very low	25.7	Very low	76 Å²	76	130 Å²	130	78%	0.784	70%	0.703	S	S	*	*			trans	-125.2	89	160.1	0	0	0	0	0	108.9
1675	N	23.3	Very low	25.9	Very low	151 Å²	151	130 Å²	130	81%	0.807	71%	0.712	S	S	*	*				77.3	126.4	58.8	-141.2	30	0	0	0	112.9
1676	C	22.7	Very low	26.4	Very low	104 Å²	104	132 Å²	132	70%	0.703	73%	0.726	S	S	*	*			trans	69.9	105.3	166.8	-61.1	0	0	0	0	121.2
1677	K	27.6	Very low	27.1	Very low	195 Å²	195	127.8 Å²	127.8	85%	0.848	72%	0.722	S	S	*	*				37.6	92.6	128.9	-63.3	-177.6	176.1	-177.4	0	119.1
1678	F	22.1	Very low	26.7	Very low	206 Å²	206	130.6 Å²	130.6	90%	0.904	72%	0.721	S	S	*	*			trans	-163.9	126.8	137.6	-87	-63.8	0	0	0	104.1
1679	A	27.9	Very low	27.3	Very low	82 Å²	82	135.5 Å²	135.5	68%	0.678	74%	0.738	S	S	*	*			cis	58.8	115.3	30.7	0	0	0	0	0	112.5
1680	P	27.2	Very low	26.6	Very low	115 Å²	115	137.8 Å²	137.8	75%	0.747	74%	0.738	S	S	*	*			cis	-132.1	-168.9	9.7	36.4	-13.8	0	0	0	113.4
1681	V	22.2	Very low	26.8	Very low	113 Å²	113	137.9 Å²	137.9	69%	0.685	74%	0.743	S	S	*	*			trans	57.5	143.9	131.3	158.2	0	0	0	0	120.9
1682	E	21.9	Very low	27	Very low	148 Å²	148	138.9 Å²	138.9	69%	0.692	74%	0.738	S	S	*	*			trans	73.1	152.5	162.6	-76.8	167.1	157.5	0	0	118.9
1683	Q	22.5	Very low	27	Very low	135 Å²	135	136 Å²	136	63%	0.631	72%	0.716	S	S	*	*			cis	-145	139.8	-1.5	-138	146.7	42.9	0	0	113.2
1684	Q	22.9	Very low	26.6	Very low	163 Å²	163	130.6 Å²	130.6	76%	0.762	70%	0.702	S	S	*	*			trans	22.8	141.3	137.7	-54.8	166.6	21.7	0	0	120.9
1685	S	28.1	Very low	26.7	Very low	98 Å²	98	132.4 Å²	132.4	69%	0.685	69%	0.693	S	S	*	*			cis	-143.4	-118.5	-17.2	46.5	0	0	0	0	110.6
1686	I	34.4	Very low	26.8	Very low	149 Å²	149	132.9 Å²	132.9	76%	0.764	69%	0.69	S	S	*	*	S	Bend	cis	-147.3	131.7	5.6	-65.6	168.2	0	0	0	103.3
1687	T	37.6	Very low	27.1	Very low	106 Å²	106	132.7 Å²	132.7	65%	0.65	69%	0.691	S	S	*	*			cis	-149.2	144.1	1.5	19.9	0	0	0	0	107.8
1688	N	25.7	Very low	27.4	Very low	127 Å²	127	130.1 Å²	130.1	68%	0.679	69%	0.685	S	S	*	*				43.8	125.3	96.5	-53.6	-25.4	0	0	0	114.5
1689	K	37.5	Very low	27.7	Very low	191 Å²	191	125.7 Å²	125.7	83%	0.83	67%	0.671	S	S	*	*			cis	-140.1	156.1	13.6	-56.9	172.7	-175	174.3	0	108.7
1690	Q	24.7	Very low	27.5	Very low	173 Å²	173	127.6 Å²	127.6	81%	0.808	67%	0.67	S	S	*	*			cis	67.8	144.9	46.2	-86.7	-173.7	-16	0	0	116.1
1691	N	28.9	Very low	27.5	Very low	139 Å²	139	130 Å²	130	74%	0.743	67%	0.669	S	S	*	*			trans	78.1	145.6	-175.4	-68	-5	0	0	0	116.3
1692	R	28.4	Very low	27.5	Very low	143 Å²	143	132 Å²	132	54%	0.54	67%	0.671	S	S	.	*			cis	-143.7	-157.9	-2.5	-119.2	-172.3	-179.4	-167.5	2.9	113.4	V1813 S1814	R1692-V1813 WeakPolarHBondContact CD-O 3.5Å; R1692-V1813 WeakPolarHBondContact CG-O 3.41Å; R1692-V1813 PolarHBondContact NE-O 2.95Å; R1692-S1814 WeakPolarHBondContact CD-O 3.48Å; R1692-S1814 PolarHBondContact NH1-O 3.23Å
1693	I	26.6	Very low	27.5	Very low	55 Å²	55	128.7 Å²	128.7	28%	0.282	66%	0.664	S	S	.	*			trans	-126.8	177.4	-150.7	-81.1	81.1	0	0	0	115.7	T1811 L1812	I1693-T1811 HydrophobicContact CG1-CG2 4.26Å; I1693-L1812 VanDerWaalsContact CD1-C 3.41Å; I1693-L1812 WeakPolarHBondContact CD1-O 3.39Å; I1693-L1812 VanDerWaalsContact CG1-C 3.47Å
1694	S	22.6	Very low	27.5	Very low	74 Å²	74	129.1 Å²	129.1	52%	0.517	67%	0.671	S	S	.	*			trans	-17.2	149	179.4	70.6	0	0	0	0	120	S1814	S1694-S1814 VanDerWaalsContact O-CB 3.22Å; S1694-S1814 WeakPolarHBondContact O-CB 3.49Å; S1694-S1814 PolarHBondContact O-OG 3.27Å; S1694-S1814 PolarHBondContact OG-OG 2.84Å; S1694-S1814 VanDerWaalsContact OG-OG 3.11Å
1695	D	25.4	Very low	27.5	Very low	113 Å²	113	126.5 Å²	126.5	60%	0.604	67%	0.666	S	S	*	*				-161	154.5	102.5	-88.2	-16.2	0	0	0	115.8
1696	H	25.9	Very low	27.2	Very low	161 Å²	161	128.8 Å²	128.8	75%	0.745	67%	0.67	S	S	*	*			trans	46.8	105.1	158.6	-73.8	-69.9	0	0	0	124.4
1697	S	29	Very low	26.6	Very low	101 Å²	101	126.8 Å²	126.8	71%	0.706	67%	0.67	S	S	*	*			trans	76	151.1	132.7	80.6	0	0	0	0	119.7
1698	L	33.5	Very low	25.9	Very low	141 Å²	141	126 Å²	126	74%	0.738	67%	0.668	S	S	*	*			cis	-112.9	136.9	-6.7	-100.9	97.7	0	0	0	109.4
1699	N	29.6	Very low	25.8	Very low	113 Å²	113	126.6 Å²	126.6	60%	0.604	67%	0.671	S	S	*	*				56.9	121.5	101.4	-60.6	-10.2	0	0	0	114.5
1700	N	23.8	Very low	25.3	Very low	122 Å²	122	125.3 Å²	125.3	65%	0.652	67%	0.666	S	S	*	*				58.6	132.7	89	-42.1	-22.1	0	0	0	112.1
1701	F	26.8	Very low	25.3	Very low	166 Å²	166	124.4 Å²	124.4	73%	0.728	66%	0.662	S	S	*	*			cis	-124.5	158.8	23.4	-82.6	-107	0	0	0	111.1
1702	Q	22.4	Very low	25	Very low	154 Å²	154	122.7 Å²	122.7	72%	0.72	66%	0.661	S	S	*	*				56.2	115.8	60.6	-95	-179.2	-12	0	0	110.5
1703	S	21.8	Very low	24.7	Very low	79 Å²	79	120 Å²	120	55%	0.552	66%	0.664	S	S	*	*				103.1	144.8	77.1	68.4	0	0	0	0	110.4
1704	N	21.5	Very low	24.8	Very low	144 Å²	144	123.3 Å²	123.3	77%	0.77	68%	0.682	S	S	*	*			trans	68.2	142	162.6	-56	-15.9	0	0	0	115.3
1705	T	23	Very low	24.8	Very low	108 Å²	108	126.8 Å²	126.8	66%	0.663	69%	0.694	S	S	*	*			cis	-147.8	162.9	-8.6	6.3	0	0	0	0	108.5
1706	N	21.6	Very low	25.1	Very low	145 Å²	145	126.4 Å²	126.4	78%	0.775	70%	0.698	S	S	*	*				16.4	151.2	104	-69.3	-19.8	0	0	0	117.8
1707	S	22.9	Very low	25.1	Very low	108 Å²	108	124.2 Å²	124.2	76%	0.755	70%	0.7	S	S	*	*			trans	63.6	134	-178.9	68.8	0	0	0	0	115
1708	S	22.9	Very low	24.9	Very low	89 Å²	89	123.9 Å²	123.9	62%	0.622	70%	0.703	S	S	*	*			cis	150.5	140	-22.2	49.3	0	0	0	0	106.2
1709	N	23.7	Very low	24.7	Very low	139 Å²	139	122.1 Å²	122.1	74%	0.743	70%	0.701	S	S	*	*			trans	64.5	172.8	159.3	-56.9	-19	0	0	0	116.9
1710	F	26.7	Very low	24.4	Very low	164 Å²	164	124.9 Å²	124.9	72%	0.719	71%	0.71	S	S	*	*			trans	63	88.8	179.1	-62.4	-79.4	0	0	0	113.7
1711	Q	23.4	Very low	24.5	Very low	154 Å²	154	123.5 Å²	123.5	72%	0.72	71%	0.709	S	S	*	*				72.1	149.1	72.9	-73.7	-173.1	-24.5	0	0	112.6
1712	S	23.1	Very low	24.6	Very low	104 Å²	104	123.8 Å²	123.8	73%	0.727	71%	0.711	S	S	*	*			trans	64.5	144.1	151.2	47.6	0	0	0	0	118.3
1713	S	23.5	Very low	24.8	Very low	86 Å²	86	121.6 Å²	121.6	60%	0.601	70%	0.699	S	S	*	*			cis	-169.2	178.5	-17.5	46.6	0	0	0	0	107.9
1714	D	27	Very low	25	Very low	124 Å²	124	121.5 Å²	121.5	66%	0.663	70%	0.697	S	S	*	*			trans	69.2	132.7	156	-48.3	-41.4	0	0	0	117.1
1715	I	23.6	Very low	25.3	Very low	147 Å²	147	117.4 Å²	117.4	75%	0.754	68%	0.675	S	S	*	*			cis	73.1	120.6	40.3	-53.9	163	0	0	0	111.6
1716	P	32.5	Very low	25.6	Very low	106 Å²	106	115.3 Å²	115.3	69%	0.688	66%	0.658	S	S	*	*			cis	-137.8	-134.7	-33.5	39.8	-18.7	0	0	0	109.6
1717	S	24.3	Very low	25.9	Very low	115 Å²	115	116.6 Å²	116.6	80%	0.804	66%	0.657	S	S	*	*			trans	95.9	142.4	156.8	-52.4	0	0	0	0	119.2
1718	A	25	Very low	26.1	Very low	93 Å²	93	116.2 Å²	116.2	77%	0.769	65%	0.654	S	S	*	*			trans	-109	-168	175	0	0	0	0	0	108.6
1719	P	30.3	Very low	26.2	Very low	105 Å²	105	116.7 Å²	116.7	68%	0.682	66%	0.657	S	S	*	*			cis	-140.9	-162.1	4.5	43.3	-22.4	0	0	0	115.6
1720	E	23.3	Very low	26.4	Very low	171 Å²	171	117.9 Å²	117.9	80%	0.799	66%	0.658	S	S	*	*			trans	72.4	105.4	149.6	-81.7	175.5	-149.2	0	0	122.5
1721	S	25	Very low	26.2	Very low	92 Å²	92	117.2 Å²	117.2	64%	0.643	66%	0.66	S	S	*	*				107.9	163.5	108.6	77.6	0	0	0	0	121.1
1722	F	29.2	Very low	26.3	Very low	173 Å²	173	115.6 Å²	115.6	76%	0.759	66%	0.661	S	S	*	*			trans	72.2	89.3	175.9	-69.4	-82.2	0	0	0	120.8
1723	K	27.4	Very low	26.9	Very low	107 Å²	107	117.9 Å²	117.9	47%	0.465	66%	0.664	S	S	.	*				44.7	122.5	128.7	-48.3	-166.1	-169.7	-158.5	0	116.9	H59 D1725	H59-K1723 PolarHBondContact CE1-NZ 2.18Å; H59-K1723 WeakPolarHBondContact NE2-CE 3.46Å; H59-K1723 PolarHBondContact NE2-NZ 2.18Å; K1723-D1725 WeakPolarHBondContact CA-OD1 3.21Å; K1723-D1725 VanDerWaalsContact CB-OD1 3.23Å; K1723-D1725 WeakPolarHBondContact CB-OD1 3.23Å; K1723-D1725 VanDerWaalsContact CG-OD1 3.25Å; K1723-D1725 WeakPolarHBondContact CG-OD1 3.34Å
1724	C	24.9	Very low	27.3	Very low	77 Å²	77	119 Å²	119	52%	0.52	67%	0.67	S	S	.	*				-147.1	152.1	52.6	-61.2	0	0	0	0	114.1	S56 S57	S56-C1724 PolarHBondContact OG-SG 3.15Å; S57-C1724 PolarHBondContact OG-SG 2.16Å
1725	D	28.9	Very low	27.1	Very low	58 Å²	58	117.8 Å²	117.8	31%	0.31	67%	0.671	S	S	.	*			cis	-179.3	-41.1	-30.4	-120.7	27.7	0	0	0	113	S57 I58 H59 K1723	S57-D1725 VanDerWaalsContact OG-CB 3.3Å; S57-D1725 WeakPolarHBondContact OG-CB 3.43Å; S57-D1725 PolarHBondContact OG-OD2 3.42Å; I58-D1725 VanDerWaalsContact CA-OD2 3.23Å; I58-D1725 WeakPolarHBondContact CA-OD2 3.36Å; I58-D1725 WeakPolarHBondContact CG1-OD2 3.25Å; I58-D1725 PolarHBondContact N-OD2 2.86Å; H59-D1725 IonicContact CE1-OD1 3.31Å; H59-D1725 PolarHBondContact CE1-OD1 3.07Å; H59-D1725 VanDerWaalsContact CE1-OD1 3.31Å; H59-D1725 IonicContact CE1-OD2 3.31Å; H59-D1725 PolarHBondContact CE1-OD2 2.76Å; H59-D1725 VanDerWaalsContact CE1-OD2 3.31Å; H59-D1725 IonicContact CG-OD2 3.96Å; H59-D1725 IonicContact ND1-OD1 3.56Å; H59-D1725 IonicContact ND1-OD2 2.79Å; H59-D1725 PolarHBondContact ND1-OD2 2.81Å; K1723-D1725 WeakPolarHBondContact CA-OD1 3.21Å; K1723-D1725 VanDerWaalsContact CB-OD1 3.23Å; K1723-D1725 WeakPolarHBondContact CB-OD1 3.23Å; K1723-D1725 VanDerWaalsContact CG-OD1 3.25Å; K1723-D1725 WeakPolarHBondContact CG-OD1 3.34Å
1726	Q	29.3	Very low	27.1	Very low	65 Å²	65	117.1 Å²	117.1	30%	0.304	67%	0.673	S	S	.	*			trans	-173.3	150.4	-146.5	168.5	-118.5	49.3	0	0	108.4	S57 I58	S57-Q1726 VanDerWaalsContact C-NE2 3.33Å; S57-Q1726 PolarHBondContact O-NE2 2.86Å; I58-Q1726 PolarHBondContact O-NE2 3.41Å
1727	F	26.7	Very low	26.6	Very low	172 Å²	172	117.7 Å²	117.7	75%	0.754	68%	0.675	S	S	*	*	S	Bend	cis	-109.9	157.9	-7.4	-59	-95.7	0	0	0	109.8
1728	C	27	Very low	26.5	Very low	100 Å²	100	118.6 Å²	118.6	68%	0.676	67%	0.669	S	S	*	*	S	Bend	cis	-132.3	120.9	-27.9	-96.5	0	0	0	0	104.6
1729	S	26.2	Very low	26.7	Very low	98 Å²	98	119.4 Å²	119.4	69%	0.685	67%	0.667	S	S	*	*				73.6	112.6	98.1	-50.5	0	0	0	0	112.1
1730	E	26.6	Very low	26.4	Very low	164 Å²	164	119.1 Å²	119.1	77%	0.766	67%	0.667	S	S	*	*			cis	-137.8	154.9	-0.1	-55.3	178.3	119.1	0	0	107.6
1731	I	24.1	Very low	26.7	Very low	151 Å²	151	117.9 Å²	117.9	77%	0.774	66%	0.664	S	S	*	*				50	134.8	56.5	-22.5	175.2	0	0	0	110.4
1732	V	25.4	Very low	26.8	Very low	120 Å²	120	118.2 Å²	118.2	73%	0.727	66%	0.663	S	S	*	*			cis	-151.8	151.9	31.4	-173.2	0	0	0	0	111.5
1733	N	35.8	Very low	26.6	Very low	151 Å²	151	118 Å²	118	81%	0.807	66%	0.664	S	S	*	*			trans	-103.9	135.2	159.5	-97	-16.1	0	0	0	110
1734	P	30.7	Very low	26.5	Very low	111 Å²	111	118.6 Å²	118.6	72%	0.721	68%	0.676	S	S	*	*				-135.6	143.8	116.6	26.1	-9.1	0	0	0	111.5
1735	S	22.9	Very low	26.4	Very low	98 Å²	98	119.2 Å²	119.2	69%	0.685	68%	0.682	S	S	*	*			cis	84.9	94.5	45.5	-62.3	0	0	0	0	115.6
1736	V	23.4	Very low	26.3	Very low	132 Å²	132	121 Å²	121	80%	0.8	70%	0.695	S	S	*	*			trans	71.4	158	136.7	-171.3	0	0	0	0	119.1
1737	V	21.9	Very low	26	Very low	118 Å²	118	126.4 Å²	126.4	72%	0.715	72%	0.72	S	S	*	*			trans	91.3	92.3	178.3	-170.8	0	0	0	0	112.4
1738	I	22.4	Very low	26	Very low	134 Å²	134	123.2 Å²	123.2	69%	0.687	72%	0.719	S	S	*	*				66.1	130	80.2	-60.7	162.4	0	0	0	110.7
1739	P	30	Very low	25.9	Very low	111 Å²	111	122.7 Å²	122.7	72%	0.721	72%	0.722	S	S	*	*			cis	-91.6	159.1	14.6	-3.6	26	0	0	0	113.9
1740	S	23.7	Very low	25.8	Very low	99 Å²	99	123.3 Å²	123.3	69%	0.692	72%	0.722	S	S	*	*				66.7	141.4	66.8	-37.5	0	0	0	0	112.8
1741	I	28.6	Very low	26	Very low	144 Å²	144	121.2 Å²	121.2	74%	0.738	72%	0.722	S	S	*	*			cis	-154.1	145.3	34.2	-140.7	142.7	0	0	0	112.1
1742	T	27.7	Very low	26	Very low	100 Å²	100	120 Å²	120	61%	0.613	72%	0.716	S	S	*	*			trans	58.5	126.7	162.8	60.7	0	0	0	0	119
1743	H	25.4	Very low	26	Very low	168 Å²	168	120.3 Å²	120.3	78%	0.778	71%	0.713	S	S	*	*				62	141.2	83.7	-44.9	-41.8	0	0	0	113.5
1744	T	24.8	Very low	25.6	Very low	119 Å²	119	120.8 Å²	120.8	73%	0.73	72%	0.715	S	S	*	*			cis	-156.8	164.8	14.6	-14.4	0	0	0	0	110.3
1745	S	23.4	Very low	25.5	Very low	90 Å²	90	121.3 Å²	121.3	63%	0.629	71%	0.712	S	S	*	*			trans	9.7	175.8	134.1	75.9	0	0	0	0	121.3
1746	T	26.2	Very low	25.8	Very low	95 Å²	95	121.7 Å²	121.7	58%	0.583	71%	0.709	S	S	*	*			cis	-159.7	170.3	22.6	-21.7	0	0	0	0	109.6	R147	R147-T1746 PolarHBondContact NH1-O 2.4Å; R147-T1746 VanDerWaalsContact NH1-O 3.07Å
1747	E	23.2	Very low	25.9	Very low	180 Å²	180	124.5 Å²	124.5	84%	0.841	71%	0.711	S	S	*	*	S	Bend	trans	-51.9	167.1	155.2	-63.7	-177.9	119.4	0	0	112.1	A1749	E1747-A1749 PolarHBondContact O-N 3.22Å
1748	S	26.3	Very low	26.1	Very low	105 Å²	105	127.7 Å²	127.7	73%	0.734	72%	0.718	S	S	*	*	S	Bend	trans	-70.9	121.1	-172.2	53.2	0	0	0	0	113.9
1749	A	26	Very low	26.3	Very low	89 Å²	89	126.2 Å²	126.2	74%	0.736	72%	0.72	S	S	*	*			trans	68.7	99.5	153	0	0	0	0	0	118.9	E1747	E1747-A1749 PolarHBondContact O-N 3.22Å
1750	T	24.3	Very low	25.9	Very low	110 Å²	110	127 Å²	127	68%	0.675	72%	0.718	S	S	*	*			trans	-46.5	145.7	133.1	48.1	0	0	0	0	111.6	I1752	T1750-I1752 HydrophobicContact CG2-CD1 4.3Å; T1750-I1752 HydrophobicContact CG2-CG1 4.17Å
1751	P	29.2	Very low	26	Very low	120 Å²	120	129.4 Å²	129.4	78%	0.779	72%	0.716	S	S	*	*				-114	143.6	73.4	-5.1	26	0	0	0	112.7
1752	I	24.8	Very low	25.8	Very low	127 Å²	127	131.1 Å²	131.1	65%	0.651	72%	0.718	S	S	*	*			cis	74.1	105.3	46.2	-59.9	157.4	0	0	0	113.7	T1750	T1750-I1752 HydrophobicContact CG2-CD1 4.3Å; T1750-I1752 HydrophobicContact CG2-CG1 4.17Å
1753	L	26.3	Very low	25.6	Very low	126 Å²	126	135.7 Å²	135.7	66%	0.66	73%	0.726	S	S	*	*				-178.5	148.4	128.4	-94.9	139.5	0	0	0	105.8	N1755	L1753-N1755 HydrophobicContact CD2-CB 4.07Å; L1753-N1755 WeakPolarHBondContact CD2-ND2 3.36Å
1754	L	26.4	Very low	25.6	Very low	160 Å²	160	133.5 Å²	133.5	84%	0.838	72%	0.724	S	S	*	*			cis	-120.7	153.1	23.8	-59.5	157.3	0	0	0	110.8
1755	N	29.1	Very low	25.6	Very low	123 Å²	123	134 Å²	134	66%	0.658	72%	0.721	S	S	*	*			cis	71.2	135.2	46.9	-89.5	11.2	0	0	0	115	L1753	L1753-N1755 HydrophobicContact CD2-CB 4.07Å; L1753-N1755 WeakPolarHBondContact CD2-ND2 3.36Å
1756	V	29.2	Very low	26	Very low	105 Å²	105	135.1 Å²	135.1	64%	0.636	73%	0.726	S	S	*	*			cis	-164.9	154.4	-8.9	95.5	0	0	0	0	113.8
1757	K	26.2	Very low	26.1	Very low	191 Å²	191	137.8 Å²	137.8	83%	0.83	74%	0.736	S	S	*	*			trans	12.8	148.4	154.6	-60.6	161.2	-172.6	178.3	0	123.4
1758	E	25.6	Very low	26.5	Very low	185 Å²	185	132.5 Å²	132.5	86%	0.864	72%	0.724	S	S	*	*			trans	-108.3	160.7	148.3	-83.3	-170.8	135.7	0	0	110.6
1759	S	25.9	Very low	26.7	Very low	104 Å²	104	132.3 Å²	132.3	73%	0.727	72%	0.722	S	S	*	*			cis	-166.3	149.6	-13.8	54.3	0	0	0	0	110.6
1760	D	22.5	Very low	26.9	Very low	128 Å²	128	136.6 Å²	136.6	68%	0.684	72%	0.724	S	S	*	*	S	Bend	trans	-151.2	120.6	146.8	-169	27.3	0	0	0	111.5
1761	K	25.7	Very low	27.4	Very low	148 Å²	148	138 Å²	138	64%	0.643	72%	0.722	S	S	*	*	S	Bend	trans	72.8	134.2	168.2	-71.3	161	-170.7	70.7	0	121.5
1762	F	24.2	Very low	27.2	Very low	180 Å²	180	136.3 Å²	136.3	79%	0.789	71%	0.714	S	S	*	*			trans	69.9	112.6	171.8	-56.8	-72	0	0	0	116.4
1763	Y	22.9	Very low	27.2	Very low	197 Å²	197	138.6 Å²	138.6	77%	0.773	72%	0.719	S	S	*	*				55.4	121.9	76.3	-80	-88.4	0	0	0	111.1	I1765	Y1763-I1765 HydrophobicContact CD1-CD1 4.24Å; Y1763-I1765 HydrophobicContact CE1-CD1 4.38Å
1764	V	25.8	Very low	27.2	Very low	121 Å²	121	137.2 Å²	137.2	73%	0.733	72%	0.72	S	S	*	*			cis	-152.2	125.4	45	171.7	0	0	0	0	107
1765	I	25.4	Very low	27.3	Very low	131 Å²	131	135.4 Å²	135.4	67%	0.672	72%	0.721	S	S	*	*				52.5	138.5	94.8	-58.6	164.8	0	0	0	113.5	Y1763	Y1763-I1765 HydrophobicContact CD1-CD1 4.24Å; Y1763-I1765 HydrophobicContact CE1-CD1 4.38Å
1766	P	32.1	Very low	27	Very low	113 Å²	113	136.9 Å²	136.9	73%	0.734	72%	0.724	S	S	*	*			cis	-109.6	-157.4	-8	44.8	-32.9	0	0	0	110.3
1767	D	28.4	Very low	26.8	Very low	151 Å²	151	137.7 Å²	137.7	81%	0.807	73%	0.734	S	S	*	*			cis	-140.8	-126.8	-0.8	-158.5	42.2	0	0	0	114.7
1768	A	30.4	Very low	26.8	Very low	69 Å²	69	135.5 Å²	135.5	57%	0.57	73%	0.731	S	S	*	*			trans	-154	173.3	-139.7	0	0	0	0	0	118.3
1769	S	30.1	Very low	27	Very low	100 Å²	100	131.2 Å²	131.2	70%	0.699	72%	0.722	S	S	*	*			trans	76.7	126.4	-178.5	-36	0	0	0	0	113.5
1770	K	31.1	Very low	26.8	Very low	180 Å²	180	134.4 Å²	134.4	78%	0.783	73%	0.731	S	S	*	*				64.9	136.2	52.4	-55.3	170.8	-180	177.5	0	111.4
1771	H	33.6	Very low	27.1	Very low	138 Å²	138	133 Å²	133	64%	0.639	73%	0.731	S	S	*	*			cis	-162.2	120.3	35.1	-126	-62.6	0	0	0	114.1
1772	S	25.2	Very low	27	Very low	86 Å²	86	130.7 Å²	130.7	60%	0.601	73%	0.733	S	S	*	*			trans	52.1	133.1	143	58.3	0	0	0	0	123.2
1773	K	24.4	Very low	26.9	Very low	174 Å²	174	129.1 Å²	129.1	76%	0.757	73%	0.733	S	S	*	*			trans	96	157.7	163.8	-61.1	-178.4	175.3	178.3	0	116.1	S1775	K1773-S1775 PolarHBondContact O-N 2.83Å
1774	S	26.8	Very low	27	Very low	97 Å²	97	126.6 Å²	126.6	68%	0.678	73%	0.728	S	S	*	*	S	Bend	trans	38.1	73.5	148.3	54.7	0	0	0	0	116.6	E1776	S1774-E1776 PolarHBondContact O-N 2.79Å; S1774-E1776 VanDerWaalsContact O-N 3.09Å
1775	S	29.5	Very low	27	Very low	122 Å²	122	126.1 Å²	126.1	85%	0.853	72%	0.721	S	S	*	*	S	Bend	trans	29.8	70	159.1	56.5	0	0	0	0	114.2	K1773	K1773-S1775 PolarHBondContact O-N 2.83Å
1776	E	22.5	Very low	27.2	Very low	154 Å²	154	126.6 Å²	126.6	72%	0.72	72%	0.718	S	S	*	*	S	Bend	trans	-49.9	146.1	177.3	-66.4	165.3	122.5	0	0	110.8	S1774	S1774-E1776 PolarHBondContact O-N 2.79Å; S1774-E1776 VanDerWaalsContact O-N 3.09Å
1777	S	25.2	Very low	27.3	Very low	122 Å²	122	128.1 Å²	128.1	85%	0.853	72%	0.715	S	S	*	*			cis	-114	131	26.7	56.8	0	0	0	0	115.6
1778	D	26.7	Very low	27.1	Very low	145 Å²	145	127.4 Å²	127.4	78%	0.775	71%	0.711	S	S	*	*			trans	-126.5	128.6	168.3	-140.4	-13	0	0	0	110.3
1779	S	28.6	Very low	27	Very low	95 Å²	95	130.2 Å²	130.2	66%	0.664	72%	0.717	S	S	*	*			trans	53.8	90.7	166.1	64.7	0	0	0	0	120.5
1780	N	22.7	Very low	26.8	Very low	171 Å²	171	129.5 Å²	129.5	91%	0.914	71%	0.712	S	S	*	*	S	Bend		-128.4	132.2	128.2	-126.2	-17	0	0	0	105.9
1781	S	26.9	Very low	26.5	Very low	100 Å²	100	126 Å²	126	70%	0.699	71%	0.71	S	S	*	*			cis	-122.3	132.6	6.2	52.8	0	0	0	0	112.2
1782	S	23.9	Very low	26.3	Very low	98 Å²	98	126.3 Å²	126.3	69%	0.685	72%	0.715	S	S	*	*			trans	-75.4	178.3	154.7	-70.3	0	0	0	0	110.6
1783	L	22.9	Very low	26.2	Very low	148 Å²	148	132.3 Å²	132.3	78%	0.775	73%	0.725	S	S	*	*			trans	76.9	122.4	-165.7	-54.5	176.5	0	0	0	111.5
1784	E	25.5	Very low	26.5	Very low	143 Å²	143	132 Å²	132	67%	0.668	72%	0.723	S	S	*	*			cis	-122.5	150.5	2.1	-82.3	-129.7	119.9	0	0	109.3
1785	L	24.3	Very low	26.5	Very low	112 Å²	112	133.6 Å²	133.6	59%	0.586	73%	0.732	S	S	*	*				45.2	113.4	74.9	-73	156.2	0	0	0	109.1
1786	F	30.1	Very low	26.4	Very low	140 Å²	140	130.8 Å²	130.8	61%	0.614	72%	0.722	S	S	*	*			cis	-156.2	158.8	43.9	-95.4	-78.7	0	0	0	112.3
1787	Q	33.5	Very low	26.7	Very low	146 Å²	146	129.8 Å²	129.8	68%	0.682	72%	0.721	S	S	*	*			trans	72.2	134.9	147.7	-71.9	152.1	21.7	0	0	114.5
1788	N	26.2	Very low	26.7	Very low	135 Å²	135	127.4 Å²	127.4	72%	0.722	71%	0.705	S	S	*	*				61	138.8	54.2	-48.5	7.9	0	0	0	110.7
1789	D	27.9	Very low	27	Very low	128 Å²	128	124.7 Å²	124.7	68%	0.684	69%	0.693	S	S	*	*			cis	-117.9	150.2	-10.1	-95.8	-65.7	0	0	0	106.6
1790	S	24.9	Very low	26.8	Very low	86 Å²	86	132 Å²	132	60%	0.601	71%	0.707	S	S	*	*				53.3	154.8	63.6	120.3	0	0	0	0	112.5
1791	S	25.5	Very low	26.8	Very low	105 Å²	105	131.1 Å²	131.1	73%	0.734	70%	0.697	S	S	*	*			trans	64.7	156.9	173.2	-68.4	0	0	0	0	115.1
1792	I	28	Very low	26.9	Very low	145 Å²	145	132.8 Å²	132.8	74%	0.744	70%	0.698	S	S	*	*			cis	-113.2	117.1	-23.8	-64.9	-169.3	0	0	0	104.9
1793	R	23.2	Very low	27.2	Very low	213 Å²	213	135.4 Å²	135.4	80%	0.804	70%	0.699	S	S	*	*				59.1	129.1	91.5	-115	170.1	-170.8	-166	4.8	113.4
1794	F	31.7	Very low	27.3	Very low	167 Å²	167	133 Å²	133	73%	0.732	69%	0.693	S	S	*	*			trans	25.5	136.7	134.1	-66.3	-104.6	0	0	0	118.9
1795	P	27.8	Very low	27.2	Very low	131 Å²	131	130.9 Å²	130.9	85%	0.851	69%	0.69	S	S	*	*				-127.6	149.1	103.7	36.9	-33.2	0	0	0	113.1
1796	G	26.7	Very low	27.3	Very low	63 Å²	63	130.8 Å²	130.8	65%	0.649	69%	0.688	S	S	*	*	S	Bend	trans	76.3	108.3	171	0	0	0	0	0	114.5
1797	N	29.4	Very low	26.9	Very low	133 Å²	133	132.8 Å²	132.8	71%	0.711	69%	0.693	S	S	*	*			cis	-147.5	144.2	-8.5	-117.1	2.3	0	0	0	106.9
1798	S	24.6	Very low	26.5	Very low	72 Å²	72	132.3 Å²	132.3	50%	0.503	69%	0.691	S	S	.	*				58.5	155.2	86.1	93.2	0	0	0	0	114.7
1799	T	33.2	Very low	26.6	Very low	87 Å²	87	130.3 Å²	130.3	53%	0.534	69%	0.686	S	S	.	*			trans	48.3	108.9	155.1	52.4	0	0	0	0	116.8	E1801	T1799-E1801 HydrophobicContact CG2-CG 4.03Å
1800	R	23.3	Very low	26.6	Very low	250 Å²	250	131 Å²	131	94%	0.943	69%	0.688	S	S	*	*			cis	48.4	39.6	19.2	-153	-157.1	177.3	164.6	2.6	114.7
1801	E	24.2	Very low	26.6	Very low	151 Å²	151	131.7 Å²	131.7	71%	0.706	69%	0.688	S	S	*	*			trans	-138.1	120.6	143.4	-61.9	176.9	-172.7	0	0	100.8	T1799	T1799-E1801 HydrophobicContact CG2-CG 4.03Å
1802	D	27.7	Very low	26.6	Very low	135 Å²	135	133 Å²	133	72%	0.722	69%	0.686	S	S	*	*			cis	-173.6	162.8	16.6	-94.1	-4.4	0	0	0	103.3
1803	E	30.8	Very low	26.6	Very low	153 Å²	153	130 Å²	130	72%	0.715	68%	0.675	S	S	*	*			cis	36.5	90.4	10.7	-80.5	-71	-170.3	0	0	114.2	T1805	E1803-T1805 PolarHBondContact OE2-N 3.49Å; E1803-T1805 PolarHBondContact OE2-OG1 2.77Å
1804	P	25.5	Very low	26.6	Very low	98 Å²	98	121 Å²	121	64%	0.636	65%	0.645	S	S	*	*				-134.7	146.1	79	39.5	-30.7	0	0	0	116.9
1805	T	23.8	Very low	26.3	Very low	99 Å²	99	117.3 Å²	117.3	61%	0.607	64%	0.639	S	S	*	*			trans	-60.5	145.2	149.6	-32.3	0	0	0	0	111.1	E1803	E1803-T1805 PolarHBondContact OE2-N 3.49Å; E1803-T1805 PolarHBondContact OE2-OG1 2.77Å
1806	I	24.6	Very low	26	Very low	109 Å²	109	119.2 Å²	119.2	56%	0.559	64%	0.637	S	S	*	*			trans	73.6	137.1	169.1	-36.9	153.8	0	0	0	111.1	Q1808	I1806-Q1808 HydrophobicContact CG2-CG 3.87Å
1807	Y	22.5	Very low	26.2	Very low	183 Å²	183	120.5 Å²	120.5	72%	0.718	63%	0.634	S	S	*	*				-155.7	121	67.1	-97.2	-101.8	0	0	0	110.5
1808	Q	25.1	Very low	25.9	Very low	135 Å²	135	120.9 Å²	120.9	63%	0.631	63%	0.634	S	S	*	*				87.5	173.8	77.7	-99.5	-168.2	30.4	0	0	113.1	I1806	I1806-Q1808 HydrophobicContact CG2-CG 3.87Å
1809	P	28.5	Very low	25.8	Very low	94 Å²	94	126.2 Å²	126.2	61%	0.61	65%	0.651	S	S	*	*			cis	-133.4	-160.1	-11.3	21.4	4.9	0	0	0	114
1810	I	28.2	Very low	25.4	Very low	143 Å²	143	131.6 Å²	131.6	73%	0.733	67%	0.667	S	S	*	*			trans	80.3	111.9	156.4	-46.7	-177.6	0	0	0	115.4
1811	T	24.5	Very low	25.7	Very low	99 Å²	99	126 Å²	126	61%	0.607	66%	0.664	S	S	*	*			cis	75.8	113.1	6.9	-33	0	0	0	0	118	I1693	I1693-T1811 HydrophobicContact CG1-CG2 4.26Å
1812	L	26.5	Very low	25.9	Very low	133 Å²	133	121.4 Å²	121.4	70%	0.696	65%	0.648	S	S	*	*				177.3	154.6	124.9	-98.4	166.6	0	0	0	118.7	I1693	I1693-L1812 VanDerWaalsContact CD1-C 3.41Å; I1693-L1812 WeakPolarHBondContact CD1-O 3.39Å; I1693-L1812 VanDerWaalsContact CG1-C 3.47Å
1813	V	27.1	Very low	26	Very low	82 Å²	82	120.4 Å²	120.4	50%	0.497	65%	0.649	S	S	.	*			trans	77.1	125.6	171.1	-166.5	0	0	0	0	119.7	R1692	R1692-V1813 WeakPolarHBondContact CD-O 3.5Å; R1692-V1813 WeakPolarHBondContact CG-O 3.41Å; R1692-V1813 PolarHBondContact NE-O 2.95Å
1814	S	23.1	Very low	25.7	Very low	25 Å²	25	120 Å²	120	18%	0.175	65%	0.648	C	S	.	*			trans	-101.7	-120.3	-169.2	-44.7	0	0	0	0	115.7	R1692 S1694	R1692-S1814 WeakPolarHBondContact CD-O 3.48Å; R1692-S1814 PolarHBondContact NH1-O 3.23Å; S1694-S1814 VanDerWaalsContact O-CB 3.22Å; S1694-S1814 WeakPolarHBondContact O-CB 3.49Å; S1694-S1814 PolarHBondContact O-OG 3.27Å; S1694-S1814 PolarHBondContact OG-OG 2.84Å; S1694-S1814 VanDerWaalsContact OG-OG 3.11Å
1815	S	25	Very low	25.7	Very low	89 Å²	89	118.2 Å²	118.2	62%	0.622	64%	0.638	S	S	*	*			trans	67.7	116.9	-178.4	70.8	0	0	0	0	117.8
1816	E	22.7	Very low	25.8	Very low	170 Å²	170	120.2 Å²	120.2	79%	0.794	64%	0.644	S	S	*	*			cis	80.3	156.4	45.6	-77.5	-136.7	123.7	0	0	115
1817	P	30.6	Very low	25.7	Very low	91 Å²	91	120.6 Å²	120.6	59%	0.591	65%	0.647	S	S	*	*			cis	-138.5	-151.8	-21.2	29.1	-4.6	0	0	0	112.8
1818	I	22.4	Very low	26.4	Very low	140 Å²	140	114.3 Å²	114.3	72%	0.718	63%	0.63	S	S	*	*			trans	95.5	112.7	146.5	-76.9	164.5	0	0	0	121.2
1819	E	22	Very low	26.7	Very low	185 Å²	185	111.3 Å²	111.3	86%	0.864	62%	0.622	S	S	*	*			trans	80.3	159.7	140.4	-73.5	-172.7	147.8	0	0	126.4
1820	K	25.7	Very low	26.5	Very low	200 Å²	200	112 Å²	112	87%	0.87	62%	0.62	S	S	*	*			trans	-97.1	-176.8	-177.3	-54.6	166.3	-176.5	165.9	0	108.7
1821	P	28.9	Very low	26.3	Very low	133 Å²	133	108.7 Å²	108.7	86%	0.864	61%	0.61	S	S	*	*			cis	-127	-144.1	-1.5	40.3	-20.5	0	0	0	112.5
1822	S	28.3	Very low	26.1	Very low	53 Å²	53	112.2 Å²	112.2	37%	0.371	62%	0.619	S	S	.	*			trans	-134.1	149.1	-176.6	57.7	0	0	0	0	113.5	R45	R45-S1822 PolarHBondContact NE-OG 2.92Å; R45-S1822 PolarHBondContact NH2-O 3.08Å; R45-S1822 PolarHBondContact NH2-OG 3.37Å
1823	P	31.3	Very low	26	Very low	115 Å²	115	112.6 Å²	112.6	75%	0.747	62%	0.617	S	S	*	*				-148.9	122.6	126.9	34.7	-16.4	0	0	0	115
1824	M	22.6	Very low	25.8	Very low	143 Å²	143	116.5 Å²	116.5	70%	0.704	63%	0.628	S	S	*	*				109.4	169.2	96.6	-152.1	143.5	-178.2	0	0	111.9	R45	R45-M1824 VanDerWaalsContact CG-N 3.26Å
1825	S	26.5	Very low	25.8	Very low	61 Å²	61	118.8 Å²	118.8	43%	0.427	65%	0.649	S	S	.	*			trans	-94.6	162.8	-152.7	-37.3	0	0	0	0	114.8	G44	G44-S1825 WeakPolarHBondContact O-CB 3.25Å; G44-S1825 PolarHBondContact O-OG 2.82Å
1826	I	24.9	Very low	25.7	Very low	141 Å²	141	118.2 Å²	118.2	72%	0.723	64%	0.644	S	S	*	*			trans	156.3	125.3	130.8	-82.8	164.9	0	0	0	113.9
1827	N	24.1	Very low	25.7	Very low	117 Å²	117	118 Å²	118	63%	0.626	64%	0.643	S	S	*	*			trans	47.7	125.3	150.3	-60.5	-12.4	0	0	0	124.3	C41	C41-N1827 CarbonylContact O-C 3.47Å; C41-N1827 VanDerWaalsContact O-CA 3.27Å; C41-N1827 WeakPolarHBondContact O-CA 3.49Å
1828	C	37.1	Very low	25.4	Very low	52 Å²	52	119 Å²	119	35%	0.351	65%	0.648	S	S	.	*			trans	-47.4	161.1	142.5	-88.1	0	0	0	0	112	S40 C41 P42	S40-C1828 VanDerWaalsContact C-CB 3.49Å; S40-C1828 WeakPolarHBondContact O-CB 3.38Å; S40-C1828 PolarHBondContact O-SG 3.01Å; C41-C1828 VanDerWaalsContact O-CB 3.31Å; C41-C1828 WeakPolarHBondContact O-CB 3.42Å; C41-C1828 PolarHBondContact O-N 2.82Å; P42-C1828 WeakPolarHBondContact CD-SG 3.42Å
1829	P	30.8	Very low	25.6	Very low	72 Å²	72	117.2 Å²	117.2	47%	0.468	65%	0.654	S	S	.	*			trans	-143.6	159.6	134	42.4	-23.9	0	0	0	114.6	P37 A39	P37-P1829 CarbonylContact O-C 3.2Å; P37-P1829 WeakPolarHBondContact O-CA 3.43Å; P37-P1829 WeakPolarHBondContact O-CB 3.42Å; P37-P1829 WeakPolarHBondContact O-CG 3.44Å; A39-P1829 VanDerWaalsContact N-CA 3.27Å; A39-P1829 CarbonylContact O-C 3.59Å; A39-P1829 WeakPolarHBondContact O-CA 3.48Å
1830	N	23.5	Very low	25.9	Very low	107 Å²	107	113.2 Å²	113.2	57%	0.572	65%	0.646	S	S	*	*			trans	-109.8	169.4	-179.1	82.6	-170	0	0	0	117	P37 V38 A39	P37-N1830 CarbonylContact C-O 3.47Å; P37-N1830 CarbonylContact O-C 3.52Å; P37-N1830 PolarHBondContact O-N 2.79Å; V38-N1830 PolarHBondContact N-O 3.18Å; V38-N1830 PolarHBondContact O-N 3.41Å; V38-N1830 PolarHBondContact O-ND2 2.74Å; V38-N1830 VanDerWaalsContact O-O 3.05Å; A39-N1830 WeakPolarHBondContact O-CB 3.32Å; A39-N1830 PolarHBondContact O-N 2.97Å
1831	S	23.8	Very low	25.9	Very low	74 Å²	74	112.2 Å²	112.2	52%	0.517	64%	0.644	S	S	.	*			trans	-177.5	158.8	137	56.2	0	0	0	0	114.1	P37	P37-S1831 WeakPolarHBondContact CB-OG 3.23Å
1832	E	21.7	Very low	25.6	Very low	173 Å²	173	110.4 Å²	110.4	81%	0.808	64%	0.635	S	S	*	*			trans	69.4	152.1	160.4	-64	-155.1	-170.4	0	0	117.2
1833	H	23.1	Very low	25.3	Very low	141 Å²	141	112.1 Å²	112.1	65%	0.653	65%	0.647	S	S	*	*			cis	-158.3	155.5	-29.9	-143.1	-78	0	0	0	107.8
1834	F	23.8	Very low	24.9	Very low	164 Å²	164	112.4 Å²	112.4	72%	0.719	65%	0.647	S	S	*	*			trans	66.3	141.9	-178.1	-68.5	-102.6	0	0	0	115.6
1835	A	23.4	Very low	24.8	Very low	74 Å²	74	110.3 Å²	110.3	61%	0.612	65%	0.646	S	S	*	*			cis	-161.4	178.8	-15.4	0	0	0	0	0	112.1
1836	S	22.8	Very low	24.7	Very low	76 Å²	76	112.1 Å²	112.1	53%	0.531	66%	0.659	S	S	.	*			trans	-13.6	139.5	152.4	53.6	0	0	0	0	117.5
1837	H	21.9	Very low	24.6	Very low	166 Å²	166	110.2 Å²	110.2	77%	0.769	66%	0.658	S	S	*	*			cis	-167.4	160.7	-4.7	-95.5	-49.3	0	0	0	108.2
1838	T	24.7	Very low	24.6	Very low	113 Å²	113	109.4 Å²	109.4	69%	0.693	66%	0.661	S	S	*	*			trans	62.5	139.5	155.2	46.3	0	0	0	0	120.2
1839	A	26.2	Very low	24	Very low	102 Å²	102	111.5 Å²	111.5	84%	0.843	68%	0.676	S	S	*	*			trans	70.4	103.9	170.8	0	0	0	0	0	117
1840	S	28.7	Very low	23.7	Very low	101 Å²	101	112.7 Å²	112.7	71%	0.706	69%	0.687	S	S	*	*			trans	-130.2	129	-175.3	51.4	0	0	0	0	109.9
1841	H	25.1	Very low	23.9	Very low	178 Å²	178	116.4 Å²	116.4	82%	0.824	70%	0.698	S	S	*	*				63.5	134.7	87.4	-55.6	-56.4	0	0	0	114.5
1842	S	23.9	Very low	24	Very low	96 Å²	96	117.4 Å²	117.4	67%	0.671	71%	0.705	S	S	*	*			cis	-169.3	170.4	-10.4	52.5	0	0	0	0	111.5
1843	S	22.6	Very low	24.2	Very low	88 Å²	88	114 Å²	114	62%	0.615	70%	0.7	S	S	*	*			trans	57.2	134.1	140.9	59.6	0	0	0	0	122.1
1844	T	21.9	Very low	24.3	Very low	122 Å²	122	113.7 Å²	113.7	75%	0.748	70%	0.702	S	S	*	*			trans	62.6	138	141.7	52.7	0	0	0	0	121.6
1845	S	21.6	Very low	24.6	Very low	99 Å²	99	109.7 Å²	109.7	69%	0.692	70%	0.695	S	S	*	*			trans	61.8	120.7	141.3	63.2	0	0	0	0	121.5
1846	S	22.6	Very low	24.6	Very low	99 Å²	99	112.9 Å²	112.9	69%	0.692	70%	0.701	S	S	*	*				68.8	119.5	128.3	68.7	0	0	0	0	121.8
1847	S	23	Very low	24.5	Very low	101 Å²	101	114.4 Å²	114.4	71%	0.706	71%	0.707	S	S	*	*				76	121	122.5	70.4	0	0	0	0	122
1848	S	24.4	Very low	24.6	Very low	99 Å²	99	111.2 Å²	111.2	69%	0.692	70%	0.699	S	S	*	*				80.7	117.9	122	70	0	0	0	0	121.8
1849	S	24.9	Very low	24.6	Very low	96 Å²	96	112.5 Å²	112.5	67%	0.671	70%	0.701	S	S	*	*				79.5	100	121.9	70.9	0	0	0	0	121.2
1850	S	24.7	Very low	25.2	Very low	98 Å²	98	112.9 Å²	112.9	69%	0.685	69%	0.693	S	S	*	*				86.5	157.5	110	82.2	0	0	0	0	120.8
1851	K	26.5	Very low	25.3	Very low	184 Å²	184	113.1 Å²	113.1	80%	0.8	69%	0.692	S	S	*	*			trans	50.7	93.3	150.4	-73.1	177.4	179.8	178.9	0	117
1852	S	26.5	Very low	25.3	Very low	96 Å²	96	109.2 Å²	109.2	67%	0.671	67%	0.674	S	S	*	*				51.2	157.1	110.1	67.4	0	0	0	0	120.2
1853	S	26	Very low	25.9	Very low	100 Å²	100	110.9 Å²	110.9	70%	0.699	67%	0.674	S	S	*	*			trans	64.6	132.9	156.3	49.1	0	0	0	0	116.8
1854	L	24.7	Very low	26.1	Very low	135 Å²	135	111.6 Å²	111.6	71%	0.707	68%	0.675	S	S	*	*			cis	-151.4	152.3	0.1	-115.9	161.1	0	0	0	108.9	L1856	L1854-L1856 HydrophobicContact CB-CD1 4.27Å; L1854-L1856 PolarHBondContact O-N 3Å
1855	S	30.8	Very low	26.6	Very low	81 Å²	81	110.8 Å²	110.8	57%	0.566	67%	0.672	S	S	*	*			trans	-51.2	129.1	149.1	51	0	0	0	0	109.6	T1857	S1855-T1857 VanDerWaalsContact O-CG2 3.32Å; S1855-T1857 WeakPolarHBondContact O-CG2 3.42Å
1856	L	22.7	Very low	26.9	Very low	141 Å²	141	115.3 Å²	115.3	74%	0.738	68%	0.682	S	S	*	*			trans	-119.3	90.3	146.9	-82.1	95.5	0	0	0	107.5	L1854	L1854-L1856 HydrophobicContact CB-CD1 4.27Å; L1854-L1856 PolarHBondContact O-N 3Å
1857	T	22	Very low	27.9	Very low	107 Å²	107	116.9 Å²	116.9	66%	0.656	69%	0.687	S	S	*	*				68.7	-139.5	69.6	74.7	0	0	0	0	110.4	S1855	S1855-T1857 VanDerWaalsContact O-CG2 3.32Å; S1855-T1857 WeakPolarHBondContact O-CG2 3.42Å
1858	T	23	Very low	28.3	Very low	99 Å²	99	121.2 Å²	121.2	61%	0.607	70%	0.697	S	S	*	*			trans	76	108.7	156.2	-43	0	0	0	0	116.8
1859	I	24.8	Very low	28.5	Very low	140 Å²	140	121.2 Å²	121.2	72%	0.718	70%	0.697	S	S	*	*			cis	-154.4	158.7	-14.6	-133.7	164.9	0	0	0	109.4
1860	T	38	Very low	28.6	Very low	111 Å²	111	123.7 Å²	123.7	68%	0.681	70%	0.701	S	S	*	*			trans	-19.8	162.9	146.5	-21.9	0	0	0	0	116.1
1861	P	31.3	Very low	29.2	Very low	106 Å²	106	128.2 Å²	128.2	69%	0.688	71%	0.709	S	S	*	*				-148.1	167	102.7	37.5	-21.4	0	0	0	115.5
1862	H	25.9	Very low	29.7	Very low	96 Å²	96	122.9 Å²	122.9	44%	0.444	70%	0.695	S	S	.	*			trans	25.2	123.3	138	-63.7	-97.7	0	0	0	119.4	D11	D11-H1862 VanDerWaalsContact CG-CE1 3.5Å; D11-H1862 PolarHBondContact N-CE1 3.31Å; D11-H1862 IonicContact OD1-CE1 2.59Å; D11-H1862 IonicContact OD1-CG 2.94Å; D11-H1862 IonicContact OD1-ND1 3.81Å; D11-H1862 PolarHBondContact OD1-ND1 3.38Å; D11-H1862 IonicContact OD2-CE1 3.43Å; D11-H1862 PolarHBondContact OD2-CE1 2.8Å; D11-H1862 VanDerWaalsContact OD2-CE1 3.31Å; D11-H1862 IonicContact OD2-CG 2.77Å; D11-H1862 IonicContact OD2-ND1 3.31Å; D11-H1862 PolarHBondContact OD2-ND1 2.88Å
1863	L	35.1	Very low	29.7	Very low	130 Å²	130	120.9 Å²	120.9	68%	0.681	68%	0.68	S	S	*	*				89.5	151.4	56	-80	162.7	0	0	0	113.9
1864	T	28.6	Very low	29.6	Very low	104 Å²	104	123 Å²	123	64%	0.638	68%	0.682	S	S	*	*			trans	72.9	159	176.3	80.5	0	0	0	0	116.8
1865	P	31.5	Very low	29.5	Very low	105 Å²	105	120.8 Å²	120.8	68%	0.682	68%	0.678	S	S	*	*			cis	-132.3	161.6	-24.8	24.1	-2.1	0	0	0	115.9
1866	H	28	Very low	29.4	Very low	193 Å²	193	124 Å²	124	89%	0.894	68%	0.684	S	S	*	*			trans	36.5	88.8	148.3	-70.3	-75.6	0	0	0	122.5
1867	T	42.5	Very low	29.9	Very low	132 Å²	132	123.7 Å²	123.7	81%	0.81	68%	0.679	S	S	*	*			trans	-149	130.5	138.5	32.1	0	0	0	0	105.6
1868	Q	32.3	Very low	30.4	Very low	193 Å²	193	124.7 Å²	124.7	90%	0.902	68%	0.68	S	S	*	*				46.4	84.6	52.8	-65.7	-168.5	1.4	0	0	110.9
1869	S	28.9	Very low	31	Very low	99 Å²	99	125 Å²	125	69%	0.692	69%	0.686	S	S	*	*			cis	-132.4	139.8	42.3	54.7	0	0	0	0	113.7
1870	L	27.7	Very low	31.9	Very low	147 Å²	147	122.6 Å²	122.6	77%	0.77	69%	0.687	S	S	*	*				62.3	142.6	89.7	-53.3	165.9	0	0	0	116.3
1871	F	36.2	Very low	31.8	Very low	193 Å²	193	124.6 Å²	124.6	85%	0.846	69%	0.693	S	S	*	*			trans	69.7	163.9	153.3	-79.9	-159.8	0	0	0	117.2
1872	S	36.3	Very low	32.1	Very low	72 Å²	72	126.6 Å²	126.6	50%	0.503	69%	0.693	S	S	.	*			cis	-172.6	-177.8	-27.6	-92.9	0	0	0	0	108.7
1873	P	26.6	Very low	32.3	Very low	55 Å²	55	129.1 Å²	129.1	36%	0.357	70%	0.702	S	S	.	*	S	Bend	trans	-49.9	171.4	140.8	-24	35.1	0	0	0	111.9	D97	D97-P1873 HydrophobicContact CB-CB 4.43Å; D97-P1873 HydrophobicContact CB-CG 4.14Å; D97-P1873 WeakPolarHBondContact OD1-CB 3.41Å; D97-P1873 WeakPolarHBondContact OD1-CG 3.4Å; D97-P1873 WeakPolarHBondContact OD2-CB 3.25Å
1874	I	24.6	Very low	32.4	Very low	143 Å²	143	126.5 Å²	126.5	73%	0.733	71%	0.706	S	S	*	*			trans	51.7	87.1	-177.5	31.4	-177.2	0	0	0	112.8
1875	S	23.5	Very low	32.5	Very low	90 Å²	90	126.6 Å²	126.6	63%	0.629	71%	0.709	S	S	*	*				88.3	-160.7	90	63.1	0	0	0	0	111.5
1876	E	27.4	Very low	32.4	Very low	147 Å²	147	131 Å²	131	69%	0.687	71%	0.712	S	S	*	*			trans	69.9	145.7	163.6	-64.5	171.4	-144.7	0	0	117
1877	H	32.8	Very low	32.6	Very low	136 Å²	136	126.7 Å²	126.7	63%	0.63	69%	0.691	S	S	*	*			cis	-143.3	150.3	-13.8	-119.8	-46	0	0	0	109.7
1878	D	32.5	Very low	32	Very low	127 Å²	127	127.9 Å²	127.9	68%	0.679	69%	0.692	S	S	*	*			trans	39.8	143.7	137.3	-65.7	15.9	0	0	0	122.1
1879	S	36.3	Very low	32.1	Very low	107 Å²	107	121.3 Å²	121.3	75%	0.748	66%	0.663	S	S	*	*			trans	70.8	102.1	151.7	-59.2	0	0	0	0	117.6
1880	A	43.6	Very low	32.7	Very low	88 Å²	88	123.7 Å²	123.7	73%	0.727	67%	0.673	S	S	*	*				31.2	108.6	109.4	0	0	0	0	0	117.5
1881	L	35.5	Very low	33.2	Very low	154 Å²	154	120.5 Å²	120.5	81%	0.806	66%	0.656	S	S	*	*			trans	75.1	84.7	153.3	-73.4	122.2	0	0	0	120.7
1882	H	38.1	Very low	33.5	Very low	148 Å²	148	119.4 Å²	119.4	69%	0.685	66%	0.659	S	S	*	*				84.9	142.6	103	-119.2	1.3	0	0	0	123
1883	K	29.7	Very low	33.1	Very low	148 Å²	148	123.4 Å²	123.4	64%	0.643	67%	0.667	S	S	*	*			trans	77.9	70.8	147.6	-76	168.2	179.1	167.2	0	119.3
1884	G	37.9	Very low	33.6	Very low	75 Å²	75	125.2 Å²	125.2	77%	0.773	68%	0.679	S	S	*	*			trans	93.4	-163.2	140.1	0	0	0	0	0	115.7
1885	P	30.7	Very low	33.9	Very low	107 Å²	107	124.3 Å²	124.3	70%	0.695	68%	0.675	S	S	*	*			cis	-139.4	-172.7	25.9	46	-29.4	0	0	0	116.7
1886	W	29.7	Very low	34.4	Very low	197 Å²	197	128.2 Å²	128.2	75%	0.746	68%	0.684	S	S	*	*			trans	46.9	89.8	167	-55.8	103.3	0	0	0	117.2
1887	F	32.4	Very low	34.7	Very low	102 Å²	102	128.4 Å²	128.4	45%	0.447	68%	0.684	S	S	.	*				86.5	151	74.3	-81.9	-146.8	0	0	0	112.1	N1889	F1887-N1889 WeakPolarHBondContact CA-OD1 3.32Å; F1887-N1889 WeakPolarHBondContact CD1-ND2 3.24Å; F1887-N1889 WeakPolarHBondContact CD2-ND2 3.13Å; F1887-N1889 VanDerWaalsContact CD2-OD1 3.23Å; F1887-N1889 WeakPolarHBondContact CD2-OD1 3.17Å; F1887-N1889 WeakPolarHBondContact CE1-ND2 3.27Å; F1887-N1889 WeakPolarHBondContact CE2-ND2 3.37Å; F1887-N1889 WeakPolarHBondContact CG-ND2 3.34Å; F1887-N1889 WeakPolarHBondContact CG-OD1 3.31Å; F1887-N1889 WeakPolarHBondContact CZ-ND2 3.15Å
1888	L	30.5	Very low	34.6	Very low	157 Å²	157	128.7 Å²	128.7	82%	0.822	69%	0.686	S	S	*	*			cis	-106.8	128.3	-3.9	-80.1	90.2	0	0	0	109.5
1889	N	32.7	Very low	34.3	Very low	56 Å²	56	128.8 Å²	128.8	30%	0.299	69%	0.686	S	S	.	*				70.7	113.6	61.6	-58	10.2	0	0	0	113.3	F1887 D1891	F1887-N1889 WeakPolarHBondContact CA-OD1 3.32Å; F1887-N1889 WeakPolarHBondContact CD1-ND2 3.24Å; F1887-N1889 WeakPolarHBondContact CD2-ND2 3.13Å; F1887-N1889 VanDerWaalsContact CD2-OD1 3.23Å; F1887-N1889 WeakPolarHBondContact CD2-OD1 3.17Å; F1887-N1889 WeakPolarHBondContact CE1-ND2 3.27Å; F1887-N1889 WeakPolarHBondContact CE2-ND2 3.37Å; F1887-N1889 WeakPolarHBondContact CG-ND2 3.34Å; F1887-N1889 WeakPolarHBondContact CG-OD1 3.31Å; F1887-N1889 WeakPolarHBondContact CZ-ND2 3.15Å; N1889-D1891 HydrophobicContact CB-CB 4.07Å; N1889-D1891 WeakPolarHBondContact CB-OD2 3.44Å; N1889-D1891 PolarHBondContact ND2-OD1 3.28Å; N1889-D1891 PolarHBondContact ND2-OD2 3.1Å
1890	V	42.9	Very low	33.8	Very low	149 Å²	149	128.9 Å²	128.9	90%	0.903	68%	0.678	S	S	*	*				-119.4	87.6	92.8	-176.6	0	0	0	0	105.8
1891	D	36.5	Very low	32.7	Very low	79 Å²	79	130.8 Å²	130.8	42%	0.422	68%	0.68	S	S	.	*				50.7	113.5	92.4	-98.3	-34.9	0	0	0	114.3	N1889	N1889-D1891 HydrophobicContact CB-CB 4.07Å; N1889-D1891 WeakPolarHBondContact CB-OD2 3.44Å; N1889-D1891 PolarHBondContact ND2-OD1 3.28Å; N1889-D1891 PolarHBondContact ND2-OD2 3.1Å
1892	L	42.6	Very low	32.6	Very low	171 Å²	171	129.5 Å²	129.5	90%	0.895	68%	0.682	S	S	*	*				-169.5	139.9	110.9	-98	162	0	0	0	111.6
1893	K	28.3	Very low	32.4	Very low	156 Å²	156	127.6 Å²	127.6	68%	0.678	68%	0.683	S	S	*	*			trans	-86.4	-177.6	166.2	-59.3	174.5	-176.2	170.2	0	108.1
1894	P	36.8	Very low	32.2	Very low	93 Å²	93	129.6 Å²	129.6	60%	0.604	69%	0.688	S	S	*	*			cis	-143.8	-165.6	10.1	46.5	-26.7	0	0	0	115.9
1895	D	30.7	Very low	32	Very low	123 Å²	123	132.9 Å²	132.9	66%	0.658	68%	0.683	S	S	*	*			trans	65.2	137.9	150.9	-56.3	-16.3	0	0	0	118.8
1896	E	36.1	Very low	31.9	Very low	173 Å²	173	132.6 Å²	132.6	81%	0.808	67%	0.673	S	S	*	*				60.8	139.4	75.9	-88.1	-179.7	-159.2	0	0	112.9
1897	E	33	Very low	32.8	Very low	150 Å²	150	126.7 Å²	126.7	70%	0.701	66%	0.658	S	S	*	*			cis	-157.3	-156.6	19.9	-145.4	-165.2	-176.8	0	0	112.3
1898	H	29.7	Very low	32.5	Very low	142 Å²	142	127 Å²	127	66%	0.657	67%	0.67	S	S	*	*			trans	-16.5	151.8	157.3	-89.6	-78.9	0	0	0	121.7
1899	L	26.5	Very low	32.6	Very low	130 Å²	130	127 Å²	127	68%	0.681	66%	0.659	S	S	*	*			trans	76.5	129.7	142.8	-71.2	162.3	0	0	0	122.2
1900	N	25.3	Very low	32.7	Very low	108 Å²	108	128.4 Å²	128.4	58%	0.578	67%	0.672	S	S	*	*			trans	70.9	172.8	141.3	-71.6	-22	0	0	0	121
1901	V	22.3	Very low	32.1	Very low	128 Å²	128	130.4 Å²	130.4	78%	0.776	67%	0.668	S	S	*	*			trans	68	137.5	165.1	-121.9	0	0	0	0	120.6
1902	C	33.3	Very low	31.9	Very low	127 Å²	127	135.2 Å²	135.2	86%	0.858	69%	0.691	S	S	*	*			trans	-78.6	129.6	149	-52.7	0	0	0	0	109
1903	P	32.7	Very low	31.4	Very low	108 Å²	108	129.8 Å²	129.8	70%	0.701	67%	0.667	S	S	*	*			trans	-146.6	136.1	141.3	31.7	-13.1	0	0	0	116.8
1904	Y	25.3	Very low	31.3	Very low	191 Å²	191	125.2 Å²	125.2	75%	0.749	65%	0.647	S	S	*	*				11.9	133	126.1	-84.9	-137.3	0	0	0	120.8
1905	Q	33.1	Very low	30.6	Very low	143 Å²	143	128.3 Å²	128.3	67%	0.668	65%	0.651	S	S	*	*			trans	67.3	172.3	130.3	-65.5	-178.2	-8.6	0	0	118.5
1906	H	28.9	Very low	30.3	Very low	102 Å²	102	127.5 Å²	127.5	47%	0.472	66%	0.655	S	S	.	*			cis	-148.7	105.3	-25.5	-112.3	-42.4	0	0	0	110.2	F1914	H1906-F1914 HydrophobicContact CB-CE2 4.07Å; H1906-F1914 HydrophobicContact CB-CZ 4.3Å; H1906-F1914 AromaticContact CD2-CE2 3.93Å; H1906-F1914 AromaticContact CE1-CD2 3.33Å; H1906-F1914 WeakPolarHBondContact CE1-CD2 3.28Å; H1906-F1914 AromaticContact CE1-CE2 3.9Å; H1906-F1914 AromaticContact CG-CD2 3.87Å; H1906-F1914 AromaticContact CG-CE2 3.66Å; H1906-F1914 AromaticContact ND1-CD2 3.33Å; H1906-F1914 VanDerWaalsContact ND1-CD2 3.33Å; H1906-F1914 WeakPolarHBondContact ND1-CD2 3.14Å; H1906-F1914 AromaticContact ND1-CE2 3.62Å; H1906-F1914 AromaticContact ND1-CG 3.86Å; H1906-F1914 AromaticContact NE2-CD2 3.82Å
1907	T	48.4	Very low	29.7	Very low	73 Å²	73	125.1 Å²	125.1	45%	0.448	65%	0.653	S	S	.	*				33.6	147.6	127.3	45.1	0	0	0	0	122.7	R1909 F1914	T1907-R1909 PolarHBondContact O-NE 3.01Å; T1907-F1914 VanDerWaalsContact C-CE1 3.48Å; T1907-F1914 HydrophobicContact CG2-CD1 4.38Å; T1907-F1914 WeakPolarHBondContact O-CE1 3.33Å; T1907-F1914 VanDerWaalsContact O-CZ 3.22Å; T1907-F1914 WeakPolarHBondContact O-CZ 3.29Å; T1907-F1914 WeakPolarHBondContact OG1-CD1 3.04Å; T1907-F1914 WeakPolarHBondContact OG1-CE1 2.74Å; T1907-F1914 WeakPolarHBondContact OG1-CG 3.49Å; T1907-F1914 WeakPolarHBondContact OG1-CZ 3.15Å
1908	P	27.5	Very low	29.3	Very low	107 Å²	107	122.9 Å²	122.9	70%	0.695	65%	0.653	S	S	*	*			trans	-98	121.3	143.3	33.1	-25.8	0	0	0	110.4
1909	R	31.4	Very low	29.4	Very low	158 Å²	158	121.3 Å²	121.3	60%	0.596	66%	0.656	S	S	*	*				79.9	156.5	68.5	-82.6	146.6	-138.5	-103.5	6.1	111.4	T1907 F1914	T1907-R1909 PolarHBondContact O-NE 3.01Å; R1909-F1914 HydrophobicContact CB-CE1 4.29Å; R1909-F1914 HydrophobicContact CG-CE1 3.66Å; R1909-F1914 HydrophobicContact CG-CZ 4.15Å; R1909-F1914 VanDerWaalsContact N-CD1 3.33Å; R1909-F1914 VanDerWaalsContact N-CE1 3.31Å
1910	P	35.6	Very low	29.2	Very low	86 Å²	86	120.9 Å²	120.9	56%	0.558	66%	0.658	S	S	*	*			cis	-131.4	-170.4	-25.5	35.6	-16.1	0	0	0	110.5
1911	F	29.7	Very low	29.3	Very low	190 Å²	190	122.6 Å²	122.6	83%	0.833	67%	0.667	S	S	*	*	S	Bend	cis	-132.1	130.6	-3.9	-74.6	-83.9	0	0	0	107.5
1912	M	33.8	Very low	29.1	Very low	180 Å²	180	121.6 Å²	121.6	89%	0.887	66%	0.664	S	S	*	*	S	Bend	cis	-137.3	122.1	-10.7	-53.3	173.8	79.4	0	0	107.3
1913	S	31.3	Very low	28.6	Very low	57 Å²	57	122.6 Å²	122.6	40%	0.399	66%	0.656	S	S	.	*	S	Bend	cis	-150	143.1	-16.6	-172.4	0	0	0	0	108.4
1914	F	25.8	Very low	28	Very low	60 Å²	60	122.4 Å²	122.4	26%	0.263	66%	0.657	S	S	.	*			trans	89.2	108.2	170.3	-44.6	-49.9	0	0	0	118.8	H1906 T1907 R1909	H1906-F1914 HydrophobicContact CB-CE2 4.07Å; H1906-F1914 HydrophobicContact CB-CZ 4.3Å; H1906-F1914 AromaticContact CD2-CE2 3.93Å; H1906-F1914 AromaticContact CE1-CD2 3.33Å; H1906-F1914 WeakPolarHBondContact CE1-CD2 3.28Å; H1906-F1914 AromaticContact CE1-CE2 3.9Å; H1906-F1914 AromaticContact CG-CD2 3.87Å; H1906-F1914 AromaticContact CG-CE2 3.66Å; H1906-F1914 AromaticContact ND1-CD2 3.33Å; H1906-F1914 VanDerWaalsContact ND1-CD2 3.33Å; H1906-F1914 WeakPolarHBondContact ND1-CD2 3.14Å; H1906-F1914 AromaticContact ND1-CE2 3.62Å; H1906-F1914 AromaticContact ND1-CG 3.86Å; H1906-F1914 AromaticContact NE2-CD2 3.82Å; T1907-F1914 VanDerWaalsContact C-CE1 3.48Å; T1907-F1914 HydrophobicContact CG2-CD1 4.38Å; T1907-F1914 WeakPolarHBondContact O-CE1 3.33Å; T1907-F1914 VanDerWaalsContact O-CZ 3.22Å; T1907-F1914 WeakPolarHBondContact O-CZ 3.29Å; T1907-F1914 WeakPolarHBondContact OG1-CD1 3.04Å; T1907-F1914 WeakPolarHBondContact OG1-CE1 2.74Å; T1907-F1914 WeakPolarHBondContact OG1-CG 3.49Å; T1907-F1914 WeakPolarHBondContact OG1-CZ 3.15Å; R1909-F1914 HydrophobicContact CB-CE1 4.29Å; R1909-F1914 HydrophobicContact CG-CE1 3.66Å; R1909-F1914 HydrophobicContact CG-CZ 4.15Å; R1909-F1914 VanDerWaalsContact N-CD1 3.33Å; R1909-F1914 VanDerWaalsContact N-CE1 3.31Å
1915	K	22.6	Very low	28	Very low	159 Å²	159	118.6 Å²	118.6	69%	0.691	66%	0.659	S	S	*	*			trans	-39.6	153	158.3	-64.9	178.6	179.2	177	0	113.3
1916	S	23.5	Very low	27.6	Very low	105 Å²	105	114.6 Å²	114.6	73%	0.734	66%	0.656	S	S	*	*			cis	75	66.5	32.7	92.7	0	0	0	0	115.6
1917	T	24.6	Very low	27.4	Very low	124 Å²	124	115.6 Å²	115.6	76%	0.761	67%	0.669	S	S	*	*			trans	-137.7	136.2	155.9	38	0	0	0	0	106.6
1918	S	24.6	Very low	26.2	Very low	102 Å²	102	116.9 Å²	116.9	71%	0.713	68%	0.681	S	S	*	*				71	145.4	53.9	-57.5	0	0	0	0	112.8
1919	P	30.4	Very low	26	Very low	109 Å²	109	115.1 Å²	115.1	71%	0.708	68%	0.676	S	S	*	*			cis	-146.6	-156	-29.6	38.7	-17.5	0	0	0	112.5
1920	V	23.1	Very low	25.7	Very low	121 Å²	121	112.6 Å²	112.6	73%	0.733	68%	0.678	S	S	*	*	S	Bend		-1.7	133.6	129.8	171.8	0	0	0	0	116.7	C1922	V1920-C1922 PolarHBondContact O-N 3.12Å
1921	L	26.7	Very low	25.1	Very low	145 Å²	145	112.2 Å²	112.2	76%	0.759	67%	0.668	S	S	*	*			trans	36.1	80.8	146.5	-162.3	79.9	0	0	0	117.5
1922	C	19.6	Very low	24.8	Very low	107 Å²	107	106.6 Å²	106.6	72%	0.723	65%	0.652	S	S	*	*				-90.3	133.8	126.2	-78.3	0	0	0	0	107.6	V1920	V1920-C1922 PolarHBondContact O-N 3.12Å
1923	Q	21.2	Very low	24.3	Very low	147 Å²	147	106 Å²	106	69%	0.687	65%	0.653	S	S	*	*			cis	-166.2	-159.3	-4.2	-130.6	161.5	-8.8	0	0	108
1924	S	21.4	Very low	23.9	Very low	104 Å²	104	107.7 Å²	107.7	73%	0.727	66%	0.655	S	S	*	*			trans	14.5	125	144.8	62.9	0	0	0	0	117.6
1925	S	24.1	Very low	23.8	Very low	112 Å²	112	110 Å²	110	78%	0.783	66%	0.663	S	S	*	*			cis	-164.4	176.6	14.4	51.3	0	0	0	0	108.5
1926	G	25.7	Very low	23.8	Very low	58 Å²	58	106.3 Å²	106.3	60%	0.598	66%	0.656	S	S	*	*			cis	70.2	123.4	38	0	0	0	0	0	109.2
1927	T	23.7	Very low	23.9	Very low	124 Å²	124	107.1 Å²	107.1	76%	0.761	66%	0.662	S	S	*	*			cis	-138.1	-173.5	-0.3	48.4	0	0	0	0	107.7
1928	S	23.4	Very low	23.7	Very low	99 Å²	99	108.7 Å²	108.7	69%	0.692	66%	0.66	S	S	*	*			trans	63.1	135.3	151.5	48.5	0	0	0	0	117.1
1929	A	24.3	Very low	23.9	Very low	71 Å²	71	108.2 Å²	108.2	59%	0.587	66%	0.657	S	S	*	*				60.4	142.4	55.8	0	0	0	0	0	112
1930	T	25.2	Very low	23.7	Very low	105 Å²	105	108.5 Å²	108.5	64%	0.644	66%	0.658	S	S	*	*			cis	-128.5	173.2	9.9	49.5	0	0	0	0	112.4
1931	K	23	Very low	23.7	Very low	77 Å²	77	107.5 Å²	107.5	34%	0.335	66%	0.657	S	S	.	*			trans	-59.9	143.6	157.4	-133.1	114.9	165.1	178.2	0	109.8	Q87 D89 R90	Q87-K1931 PolarHBondContact O-NZ 3.34Å; Q87-K1931 VanDerWaalsContact O-NZ 3.16Å; D89-K1931 HydrophobicContact CB-CD 4.25Å; D89-K1931 WeakPolarHBondContact O-CB 3.45Å; D89-K1931 WeakPolarHBondContact O-CD 3.22Å; R90-K1931 HydrophobicContact CB-CD 3.95Å; R90-K1931 HydrophobicContact CG-CB 4.11Å; R90-K1931 HydrophobicContact CG-CD 3.91Å; R90-K1931 HydrophobicContact CG-CG 4.42Å
1932	S	22.2	Very low	23.6	Very low	72 Å²	72	106 Å²	106	50%	0.503	66%	0.659	S	S	.	*			trans	46.4	114.7	152.7	59.4	0	0	0	0	118.6	R90	R90-S1932 PolarHBondContact NH2-OG 2.77Å
1933	D	24.8	Very low	24.1	Very low	169 Å²	169	105.9 Å²	105.9	90%	0.904	66%	0.659	S	S	*	*				-135.2	165.4	118.2	-146.9	-10.1	0	0	0	111.4
1934	M	23	Very low	24.3	Very low	91 Å²	91	101.9 Å²	101.9	45%	0.448	66%	0.657	S	S	.	*			trans	-149.1	125.1	-154.6	-152.8	-140	55.6	0	0	112.9	S250 S251	S250-M1934 WeakPolarHBondContact OG-CE 2.59Å; S251-M1934 WeakPolarHBondContact OG-CE 3.23Å
1935	Y	22.8	Very low	24.6	Very low	109 Å²	109	101.9 Å²	101.9	43%	0.427	66%	0.655	S	S	.	*			trans	80.7	121.7	169.5	-91.9	-123.4	0	0	0	120.6	R248 P249 S250	R248-Y1935 PolarHBondContact O-OH 2.77Å; P249-Y1935 VanDerWaalsContact C-OH 3.22Å; P249-Y1935 WeakPolarHBondContact CA-OH 3.37Å; P249-Y1935 PolarHBondContact O-OH 2.84Å; S250-Y1935 VanDerWaalsContact CB-CE2 3.43Å; S250-Y1935 WeakPolarHBondContact OG-CD1 2.78Å; S250-Y1935 WeakPolarHBondContact OG-CD2 3.42Å; S250-Y1935 VanDerWaalsContact OG-CE1 3.25Å; S250-Y1935 WeakPolarHBondContact OG-CE1 3.47Å; S250-Y1935 VanDerWaalsContact OG-CE2 3.26Å; S250-Y1935 WeakPolarHBondContact OG-CE2 3.44Å
1936	C	22.6	Very low	24.6	Very low	82 Å²	82	103.4 Å²	103.4	55%	0.554	65%	0.653	S	S	*	*			trans	50.2	97	130.4	-62.4	0	0	0	0	120.4
1937	S	24.5	Very low	24.6	Very low	121 Å²	121	106.5 Å²	106.5	85%	0.846	66%	0.655	S	S	*	*				-138	104.6	115.8	-71.6	0	0	0	0	107.7
1938	H	22.3	Very low	24.5	Very low	158 Å²	158	108.1 Å²	108.1	73%	0.731	65%	0.652	S	S	*	*				49.2	82.4	85.3	-79.3	-66.3	0	0	0	114.6
1939	S	27.4	Very low	24.5	Very low	92 Å²	92	109.8 Å²	109.8	64%	0.643	65%	0.653	S	S	*	*				35.8	137.5	111.8	66.6	0	0	0	0	118
1940	P	26.2	Very low	24.5	Very low	114 Å²	114	113 Å²	113	74%	0.74	66%	0.661	S	S	*	*				-127.3	-179.5	94.6	39.6	-35.7	0	0	0	114.2
1941	S	23.4	Very low	25.2	Very low	100 Å²	100	111.5 Å²	111.5	70%	0.699	65%	0.653	S	S	*	*			trans	21.9	143.1	143.4	60.6	0	0	0	0	120.4
1942	S	24.2	Very low	25.3	Very low	114 Å²	114	109.5 Å²	109.5	80%	0.797	65%	0.648	S	S	*	*			cis	174.8	158.6	0.1	46.1	0	0	0	0	106.5
1943	S	30.4	Very low	25.6	Very low	105 Å²	105	111.6 Å²	111.6	73%	0.734	65%	0.645	S	S	*	*			cis	-146.9	177	1.8	51	0	0	0	0	108.7
1944	G	25.1	Very low	25.7	Very low	63 Å²	63	106.7 Å²	106.7	65%	0.649	62%	0.619	S	S	*	*			trans	-79.1	-121.4	148	0	0	0	0	0	109.3
1945	P	28.8	Very low	26.1	Very low	104 Å²	104	105 Å²	105	68%	0.675	61%	0.611	S	S	*	*			cis	-146.3	-174.8	9	42.5	-22	0	0	0	115.5
1946	L	24	Very low	26.3	Very low	143 Å²	143	100.3 Å²	100.3	75%	0.749	59%	0.593	S	S	*	*			trans	69.1	159.8	154.5	-62.2	-160.6	0	0	0	117.3
1947	L	24.7	Very low	26.5	Very low	123 Å²	123	97.3 Å²	97.3	64%	0.644	57%	0.571	S	S	*	*			cis	-149.8	121.1	-11	-116.4	166.6	0	0	0	109.7
1948	F	22.1	Very low	27.1	Very low	159 Å²	159	94 Å²	94	70%	0.697	55%	0.546	S	S	*	.				59.3	165.1	128.8	-86.3	-139.4	0	0	0	124.4
1949	N	23.8	Very low	27.3	Very low	133 Å²	133	91.1 Å²	91.1	71%	0.711	54%	0.54	S	S	*	.			trans	61.3	102.4	153.6	-64.5	-10.5	0	0	0	118
1950	N	24.9	Very low	27.2	Very low	140 Å²	140	91.2 Å²	91.2	75%	0.749	54%	0.54	S	S	*	.			cis	55.4	131.9	27	-172.5	59.9	0	0	0	114.5
1951	P	39.9	Very low	27.6	Very low	73 Å²	73	90 Å²	90	47%	0.474	53%	0.533	S	S	.	.			cis	-116.6	-177.3	-29.5	22.3	-1.1	0	0	0	111.6	T2463	P1951-T2463 WeakPolarHBondContact CB-OG1 3.12Å; P1951-T2463 WeakPolarHBondContact CG-OG1 3.16Å
1952	S	25.3	Very low	27.8	Very low	34 Å²	34	90.8 Å²	90.8	24%	0.238	53%	0.533	C	S	.	.			trans	175.1	163.7	142.3	-86.2	0	0	0	0	119.9	R2462 V2464 S2465	S1952-R2462 WeakPolarHBondContact O-CB 3.13Å; S1952-V2464 PolarHBondContact OG-N 2.72Å; S1952-V2464 VanDerWaalsContact OG-N 3.1Å; S1952-S2465 WeakPolarHBondContact OG-CA 3.38Å; S1952-S2465 PolarHBondContact OG-N 3.36Å; S1952-S2465 PolarHBondContact OG-O 3.06Å
1953	R	27.6	Very low	27.9	Very low	116 Å²	116	88.6 Å²	88.6	44%	0.438	53%	0.528	S	S	.	.			trans	51.3	106.1	162.1	-79.8	-157.8	-174.9	179.3	15.1	127.1	R2462 T2463 V2464 S2466	R1953-R2462 CarbonylContact C-O 3.52Å; R1953-T2463 VanDerWaalsContact CA-O 3.3Å; R1953-T2463 WeakPolarHBondContact CA-O 3.47Å; R1953-T2463 WeakPolarHBondContact CG-O 3.23Å; R1953-T2463 PolarHBondContact N-O 3.4Å; R1953-V2464 WeakPolarHBondContact CG-O 3.49Å; R1953-V2464 PolarHBondContact NE-O 2.75Å; R1953-S2466 WeakPolarHBondContact CB-OG 3.17Å; R1953-S2466 VanDerWaalsContact CD-O 3.23Å; R1953-S2466 WeakPolarHBondContact CD-O 3.49Å; R1953-S2466 WeakPolarHBondContact CD-OG 3.05Å; R1953-S2466 PolarHBondContact NE-O 2.97Å; R1953-S2466 PolarHBondContact NH2-O 3.15Å
1954	I	27.2	Very low	27.7	Very low	67 Å²	67	89 Å²	89	34%	0.344	52%	0.518	S	S	.	.				96.9	132.4	96.2	-120	167.6	0	0	0	122.3	S2458 T2461 R2462	I1954-S2458 WeakPolarHBondContact CG1-OG 3.43Å; I1954-T2461 CarbonylContact C-O 3.5Å; I1954-T2461 WeakPolarHBondContact CA-O 3.32Å; I1954-T2461 PolarHBondContact N-O 3.37Å; I1954-R2462 VanDerWaalsContact N-C 3.3Å; I1954-R2462 PolarHBondContact N-O 3.08Å
1955	I	30.7	Very low	27.7	Very low	56 Å²	56	89.9 Å²	89.9	29%	0.287	50%	0.504	S	S	.	.			trans	79.1	142.9	146.7	-75.7	154.5	0	0	0	122.5	R683 I2457 S2458 N2459 D2460 T2461	R683-I1955 VanDerWaalsContact CZ-O 3.23Å; R683-I1955 PolarHBondContact NH1-O 3.14Å; R683-I1955 PolarHBondContact NH2-O 3.42Å; I1955-I2457 HydrophobicContact CB-CG1 4.32Å; I1955-I2457 HydrophobicContact CB-CG2 4.48Å; I1955-I2457 HydrophobicContact CD1-CB 4.13Å; I1955-I2457 HydrophobicContact CD1-CG2 3.32Å; I1955-I2457 VanDerWaalsContact CG1-C 3.48Å; I1955-I2457 HydrophobicContact CG1-CB 3.76Å; I1955-I2457 HydrophobicContact CG1-CG1 3.87Å; I1955-I2457 HydrophobicContact CG1-CG2 3.51Å; I1955-I2457 HydrophobicContact CG2-CB 4.5Å; I1955-I2457 HydrophobicContact CG2-CD1 3.99Å; I1955-I2457 HydrophobicContact CG2-CG1 3.83Å; I1955-I2457 HydrophobicContact CG2-CG2 4.19Å; I1955-S2458 PolarHBondContact N-OG 3.02Å; I1955-N2459 VanDerWaalsContact CA-O 3.27Å; I1955-N2459 WeakPolarHBondContact CA-O 3.35Å; I1955-D2460 PolarHBondContact N-O 2.84Å; I1955-T2461 PolarHBondContact O-OG1 2.72Å
1956	H	27.1	Very low	27.6	Very low	10 Å²	10	86.4 Å²	86.4	5%	0.046	48%	0.482	C	S	.	.				-149.7	-159.4	-54.6	-150.4	-10.9	0	0	0	110.8	R683 Y686 I2457 N2459 D2460	R683-H1956 WeakPolarHBondContact CB-O 3.24Å; R683-H1956 WeakPolarHBondContact CD-O 3.35Å; R683-H1956 WeakPolarHBondContact CG-O 3.38Å; R683-H1956 PolarHBondContact NE-O 3.19Å; Y686-H1956 PolarHBondContact O-CE1 2.93Å; Y686-H1956 VanDerWaalsContact O-CE1 3.23Å; H1956-I2457 HydrophobicContact CB-CB 4.38Å; H1956-I2457 HydrophobicContact CB-CD1 4.09Å; H1956-I2457 HydrophobicContact CB-CG1 3.23Å; H1956-N2459 WeakPolarHBondContact CA-O 3.38Å; H1956-N2459 HydrophobicContact CB-CB 3.34Å; H1956-N2459 WeakPolarHBondContact CB-O 3.34Å; H1956-N2459 VanDerWaalsContact CD2-C 3.43Å; H1956-N2459 WeakPolarHBondContact CD2-CA 3.32Å; H1956-N2459 WeakPolarHBondContact CD2-CB 3.5Å; H1956-N2459 VanDerWaalsContact CD2-CG 3.46Å; H1956-N2459 PolarHBondContact CD2-N 3.44Å; H1956-N2459 VanDerWaalsContact CE1-C 3.43Å; H1956-N2459 WeakPolarHBondContact CE1-CA 3.27Å; H1956-N2459 WeakPolarHBondContact CE1-CB 3.38Å; H1956-N2459 PolarHBondContact CE1-N 2.89Å; H1956-N2459 VanDerWaalsContact CE1-N 3.31Å; H1956-N2459 PolarHBondContact CE1-ND2 2.9Å; H1956-N2459 VanDerWaalsContact CE1-ND2 3.34Å; H1956-N2459 PolarHBondContact CE1-OD1 3.33Å; H1956-N2459 WeakPolarHBondContact ND1-CA 3.25Å; H1956-N2459 WeakPolarHBondContact ND1-CB 3.38Å; H1956-N2459 PolarHBondContact ND1-O 2.84Å; H1956-N2459 WeakPolarHBondContact NE2-CA 3.31Å; H1956-N2459 WeakPolarHBondContact NE2-CB 3.42Å; H1956-N2459 PolarHBondContact NE2-N 2.95Å; H1956-N2459 PolarHBondContact NE2-ND2 3.14Å; H1956-D2460 HydrophobicContact CB-CB 4.3Å; H1956-D2460 PolarHBondContact ND1-N 3.18Å
1957	L	27.3	Very low	27.9	Very low	19 Å²	19	84 Å²	84	10%	0.099	48%	0.475	C	S	.	.			trans	-142.6	-168.9	-147.8	-55.1	170.8	0	0	0	113.4	R683 S684 K685 Y686 N2459 D2460	R683-L1957 HydrophobicContact CG-CD2 4.24Å; S684-L1957 VanDerWaalsContact CB-CD2 3.43Å; S684-L1957 VanDerWaalsContact N-CD2 3.28Å; S684-L1957 VanDerWaalsContact OG-CD2 3.26Å; S684-L1957 WeakPolarHBondContact OG-CD2 3.24Å; K685-L1957 HydrophobicContact CB-CD1 4.44Å; Y686-L1957 HydrophobicContact CD2-CD1 4.28Å; L1957-N2459 HydrophobicContact CB-CB 3.92Å; L1957-D2460 HydrophobicContact CD1-CB 3.7Å; L1957-D2460 HydrophobicContact CD2-CB 4.09Å; L1957-D2460 VanDerWaalsContact CD2-CG 3.47Å; L1957-D2460 WeakPolarHBondContact CD2-OD2 3.48Å; L1957-D2460 HydrophobicContact CG-CB 3.71Å
1958	P	36.9	Very low	27.9	Very low	50 Å²	50	83.8 Å²	83.8	33%	0.325	48%	0.483	S	S	.	.			cis	-138.6	160.4	-5.4	43.8	-25.6	0	0	0	120.4	A682 R683 S684 N2459	A682-P1958 WeakPolarHBondContact CB-O 3.39Å; R683-P1958 CarbonylContact O-C 3.57Å; S684-P1958 VanDerWaalsContact C-CA 3.48Å; P1958-N2459 WeakPolarHBondContact CD-OD1 3.46Å; P1958-N2459 WeakPolarHBondContact CG-OD1 3.19Å
1959	V	25.5	Very low	28	Very low	99 Å²	99	82 Å²	82	60%	0.6	48%	0.481	S	S	*	.			trans	69.5	146.4	151.9	177.5	0	0	0	0	125.1	R683 S684	R683-V1959 PolarHBondContact O-N 3.09Å; S684-V1959 VanDerWaalsContact O-CG2 3.24Å; S684-V1959 WeakPolarHBondContact O-CG2 3.04Å; S684-V1959 PolarHBondContact O-N 3.06Å
1960	S	26.1	Very low	28	Very low	93 Å²	93	87.4 Å²	87.4	65%	0.65	49%	0.491	S	S	*	.			trans	-66.5	-150.6	168.2	-32.2	0	0	0	0	115.4
1961	P	35.6	Very low	28.1	Very low	89 Å²	89	86.8 Å²	86.8	58%	0.578	49%	0.494	S	S	*	.			cis	-134.2	-162.6	-31.6	27.1	-1.9	0	0	0	114.3
1962	V	25.9	Very low	27.4	Very low	117 Å²	117	89.9 Å²	89.9	71%	0.709	50%	0.501	S	S	*	.			trans	94.9	130	153.8	-169.5	0	0	0	0	119.1
1963	G	28	Very low	27.4	Very low	67 Å²	67	93.7 Å²	93.7	69%	0.691	52%	0.516	S	S	*	.			trans	146.6	34.4	169.8	0	0	0	0	0	117.2
1964	H	25.7	Very low	27.5	Very low	113 Å²	113	93 Å²	93	52%	0.523	53%	0.526	S	S	.	.				67.7	110.2	94.7	-78.3	-14.7	0	0	0	118.8
1965	K	24.2	Very low	27.4	Very low	82 Å²	82	95.7 Å²	95.7	36%	0.357	53%	0.533	S	S	.	.				103.7	138	129.1	-91.8	-140.2	133.9	171.1	0	119.7	L2006 E2279 K2280	K1965-L2006 HydrophobicContact CD-CB 4.43Å; K1965-L2006 HydrophobicContact CD-CD1 4.05Å; K1965-L2006 HydrophobicContact CD-CG 4.48Å; K1965-L2006 VanDerWaalsContact CE-C 3.48Å; K1965-L2006 VanDerWaalsContact CE-O 3.23Å; K1965-L2006 WeakPolarHBondContact CE-O 3.44Å; K1965-L2006 HydrophobicContact CG-CD1 3.98Å; K1965-L2006 HydrophobicContact CG-CG 4.27Å; K1965-L2006 PolarHBondContact NZ-O 2.9Å; K1965-E2279 PolarHBondContact N-OE2 2.71Å; K1965-K2280 WeakPolarHBondContact O-CD 3.25Å; K1965-K2280 WeakPolarHBondContact O-CE 3.45Å; K1965-K2280 PolarHBondContact O-NZ 3.33Å
1966	P	27.8	Very low	27.1	Very low	32 Å²	32	98.6 Å²	98.6	21%	0.208	55%	0.554	C	S	.	*				-137.4	-137.6	-102.1	44.4	-23.3	0	0	0	112.3	E2279 K2280	P1966-E2279 HydrophobicContact CB-CG 3.73Å; P1966-E2279 VanDerWaalsContact CB-OE1 3.25Å; P1966-E2279 WeakPolarHBondContact CB-OE1 3.43Å; P1966-K2280 WeakPolarHBondContact O-CE 3.39Å; P1966-K2280 PolarHBondContact O-NZ 3.06Å; P1966-K2280 VanDerWaalsContact O-NZ 3.12Å
1967	P	29	Very low	27.1	Very low	93 Å²	93	106.3 Å²	106.3	60%	0.604	60%	0.595	S	S	*	*				-135.5	-158.2	-129.9	39.9	-13.9	0	0	0	114.1
1968	S	25	Very low	27	Very low	118 Å²	118	108.9 Å²	108.9	83%	0.825	63%	0.626	S	S	*	*			trans	-121	160.9	156.6	53.9	0	0	0	0	110.4
1969	L	24.1	Very low	26.6	Very low	122 Å²	122	113.6 Å²	113.6	64%	0.639	65%	0.647	S	S	*	*			trans	-84	141.6	-172.2	-68.1	156.6	0	0	0	113	F2004	L1969-F2004 HydrophobicContact CD2-CD1 4.44Å; L1969-F2004 HydrophobicContact CD2-CD2 3.83Å; L1969-F2004 HydrophobicContact CD2-CE1 4.18Å; L1969-F2004 HydrophobicContact CD2-CE2 3.54Å; L1969-F2004 HydrophobicContact CD2-CG 4.28Å; L1969-F2004 HydrophobicContact CD2-CZ 3.73Å
1970	R	24.9	Very low	27	Very low	245 Å²	245	113.7 Å²	113.7	93%	0.925	65%	0.649	S	S	*	*			trans	-153.6	160.2	146.9	-81	-143.8	-174.5	-146.2	1.5	110.5
1971	P	26.6	Very low	28.2	Very low	127 Å²	127	113.5 Å²	113.5	83%	0.825	63%	0.634	S	S	*	*			trans	-85.7	176.7	-156	-13.7	31.9	0	0	0	117
1972	F	24.4	Very low	29.6	Very low	138 Å²	138	117.8 Å²	117.8	61%	0.605	65%	0.647	S	S	*	*			trans	-83.3	143.4	175.1	-93.3	-92.3	0	0	0	113.6	I2045	F1972-I2045 HydrophobicContact CB-CD1 4.11Å; F1972-I2045 HydrophobicContact CD1-CD1 3.99Å; F1972-I2045 HydrophobicContact CD2-CD1 4.17Å; F1972-I2045 HydrophobicContact CD2-CG2 3.92Å; F1972-I2045 HydrophobicContact CE1-CD1 4.42Å; F1972-I2045 HydrophobicContact CE2-CG2 4.5Å; F1972-I2045 HydrophobicContact CG-CD1 3.85Å; F1972-I2045 HydrophobicContact CG-CG2 4.43Å
1973	M	24.9	Very low	32.3	Very low	115 Å²	115	113.1 Å²	113.1	57%	0.567	62%	0.62	S	S	*	*			trans	173.5	160.6	140.9	-92.4	-51.2	99.3	0	0	108.2	S2043 I2045	M1973-S2043 WeakPolarHBondContact CE-OG 3.49Å; M1973-I2045 HydrophobicContact CE-CD1 4.43Å
1974	P	31.3	Very low	35.4	Very low	100 Å²	100	110.9 Å²	110.9	65%	0.649	59%	0.592	S	S	*	*				-125.7	-177.2	-77	29.8	-8.6	0	0	0	115.1
1975	Y	25.3	Very low	38.5	Very low	124 Å²	124	109.9 Å²	109.9	49%	0.486	59%	0.59	S	S	.	*			trans	2.6	125.5	173.1	-65.7	-75.6	0	0	0	122.6	L2037	Y1975-L2037 VanDerWaalsContact OH-CD1 3.25Å; Y1975-L2037 WeakPolarHBondContact OH-CD1 3.36Å
1976	T	24	Very low	41.8	Very low	118 Å²	118	106 Å²	106	72%	0.724	57%	0.573	S	S	*	*			trans	-175.4	141.4	140.5	19.9	0	0	0	0	109.2
1977	L	26.9	Very low	44.8	Very low	172 Å²	172	109.3 Å²	109.3	90%	0.901	59%	0.589	S	S	*	*	S	Bend	cis	-118.8	146.4	-15.3	-86.3	99.3	0	0	0	108.7
1978	G	25.1	Very low	47.4	Very low	73 Å²	73	110.9 Å²	110.9	75%	0.753	59%	0.586	S	S	*	*	S	Bend	trans	160.4	51.3	177	0	0	0	0	0	113.9
1979	I	28.1	Very low	50	Low	149 Å²	149	106.7 Å²	106.7	76%	0.764	56%	0.562	S	S	*	*			trans	55.5	105.7	-174.1	-50.7	177.4	0	0	0	112.7	R1981	I1979-R1981 PolarHBondContact O-N 2.87Å
1980	P	34.8	Very low	52.3	Low	101 Å²	101	111.9 Å²	111.9	66%	0.656	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-62.1	116.2	170.8	27.7	-32.2	0	0	0	108.6	Q1982	P1980-Q1982 PolarHBondContact O-N 3.01Å; P1980-Q1982 VanDerWaalsContact O-N 3.08Å
1981	R	51.4	Low	54.5	Low	88 Å²	88	108.5 Å²	108.5	33%	0.332	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-57.7	116.4	170.9	-83.6	173.2	158.3	-96.8	-3.2	107.8	I1979 H2066 T2068	I1979-R1981 PolarHBondContact O-N 2.87Å; R1981-H2066 PolarHBondContact O-CE1 3.09Å; R1981-H2066 PolarHBondContact O-ND1 2.98Å; R1981-T2068 WeakPolarHBondContact CD-OG1 3.49Å
1982	Q	64.7	Low	57.3	Low	180 Å²	180	103.5 Å²	103.5	84%	0.841	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-53.6	140.7	179.8	-151.4	166.7	5.6	0	0	109.8	P1980 I1984	P1980-Q1982 PolarHBondContact O-N 3.01Å; P1980-Q1982 VanDerWaalsContact O-N 3.08Å; Q1982-I1984 PolarHBondContact O-N 3.4Å
1983	A	83.2	Confident	60.6	Low	19 Å²	19	98.1 Å²	98.1	16%	0.157	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-61.1	127.8	-178.5	0	0	0	0	0	110.2	I1985 R2064 L2065	A1983-I1985 PolarHBondContact O-N 2.96Å; A1983-R2064 HydrophobicContact CB-CG 3.77Å; A1983-L2065 CarbonylContact C-O 3.52Å
1984	I	91.3	Very high	63.7	Low	19 Å²	19	93.1 Å²	93.1	10%	0.097	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	105.9	177	-64.2	174.6	0	0	0	107	Q1982 I1986 A2028 L2030 L2065 A2067	Q1982-I1984 PolarHBondContact O-N 3.4Å; I1984-I1986 HydrophobicContact CG2-CD1 4.05Å; I1984-I1986 HydrophobicContact CG2-CG1 3.82Å; I1984-A2028 HydrophobicContact CG2-CB 3.81Å; I1984-L2030 HydrophobicContact CD1-CD1 3.81Å; I1984-L2030 HydrophobicContact CG2-CB 4.18Å; I1984-L2030 HydrophobicContact CG2-CD1 4.49Å; I1984-L2065 HydrophobicContact CB-CB 4.33Å; I1984-L2065 PolarHBondContact N-O 3.45Å; I1984-L2065 PolarHBondContact O-N 2.89Å; I1984-A2067 HydrophobicContact CD1-CB 4.19Å
1985	I	91.8	Very high	66.7	Low	93 Å²	93	89.6 Å²	89.6	48%	0.477	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	118.7	179.3	-60.1	175.6	0	0	0	108.6	A1983 A2028 T2062 L2063 R2064	A1983-I1985 PolarHBondContact O-N 2.96Å; I1985-A2028 VanDerWaalsContact O-CB 3.25Å; I1985-A2028 WeakPolarHBondContact O-CB 3.42Å; I1985-T2062 HydrophobicContact CG2-CG2 3.58Å; I1985-L2063 CarbonylContact C-O 3.53Å; I1985-L2063 WeakPolarHBondContact CA-O 3.44Å; I1985-R2064 HydrophobicContact CG1-CG 4.34Å
1986	I	93.7	Very high	69.8	Low	1 Å²	1	87.9 Å²	87.9	1%	0.005	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	111.8	-175.4	-44.1	179.7	0	0	0	108.9	I1984 F1993 F1995 P2024 A2025 A2028 L2030 L2063 L2065	I1984-I1986 HydrophobicContact CG2-CD1 4.05Å; I1984-I1986 HydrophobicContact CG2-CG1 3.82Å; I1986-F1993 HydrophobicContact CB-CD1 4.24Å; I1986-F1993 HydrophobicContact CG2-CB 4Å; I1986-F1993 HydrophobicContact CG2-CD1 4.02Å; I1986-F1993 HydrophobicContact CG2-CG 4.48Å; I1986-F1993 WeakPolarHBondContact O-CD1 3.21Å; I1986-F1993 WeakPolarHBondContact O-CE1 3.37Å; I1986-F1995 HydrophobicContact CD1-CD1 4.23Å; I1986-F1995 HydrophobicContact CD1-CE1 4.03Å; I1986-P2024 HydrophobicContact CG2-CB 3.88Å; I1986-A2025 HydrophobicContact CD1-CB 3.92Å; I1986-A2025 HydrophobicContact CG2-CB 4.16Å; I1986-A2028 HydrophobicContact CB-CB 4.42Å; I1986-A2028 HydrophobicContact CG1-CB 3.8Å; I1986-L2030 HydrophobicContact CD1-CB 4.48Å; I1986-L2030 HydrophobicContact CD1-CD2 4.02Å; I1986-L2063 HydrophobicContact CB-CB 4.39Å; I1986-L2063 HydrophobicContact CD1-CD2 4.28Å; I1986-L2063 PolarHBondContact N-O 3.4Å; I1986-L2063 PolarHBondContact O-N 2.66Å; I1986-L2065 HydrophobicContact CD1-CD1 3.72Å; I1986-L2065 HydrophobicContact CD1-CG 4.32Å
1987	N	89.8	Confident	73.2	Confident	100 Å²	100	84 Å²	84	54%	0.535	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	140.4	171.4	-69.7	-22.7	0	0	0	110.6	G1989 P2024 T2061 T2062	N1987-G1989 PolarHBondContact O-N 2.97Å; N1987-P2024 WeakPolarHBondContact O-CB 3.48Å; N1987-T2061 CarbonylContact C-O 3.47Å; N1987-T2061 WeakPolarHBondContact CA-O 3.23Å; N1987-T2062 WeakPolarHBondContact OD1-CG2 3.32Å; N1987-T2062 PolarHBondContact OD1-OG1 3.47Å
1988	K	84.9	Confident	76.2	Confident	126 Å²	126	81.3 Å²	81.3	55%	0.548	43%	0.428	S	S	.	.			trans	-70.2	113.7	-178.5	-168.7	175.3	173.7	-176.4	0	109.6	F1993 G2060 T2061	K1988-F1993 HydrophobicContact CB-CD1 4.03Å; K1988-F1993 HydrophobicContact CB-CE1 3.6Å; K1988-F1993 HydrophobicContact CB-CZ 4.04Å; K1988-F1993 HydrophobicContact CD-CZ 4.33Å; K1988-F1993 HydrophobicContact CG-CE1 4.25Å; K1988-F1993 HydrophobicContact CG-CZ 4.31Å; K1988-G2060 VanDerWaalsContact CD-O 3.25Å; K1988-G2060 WeakPolarHBondContact CD-O 3.49Å; K1988-T2061 WeakPolarHBondContact CB-O 2.89Å; K1988-T2061 PolarHBondContact N-O 3.33Å
1989	G	79.6	Confident	79.4	Confident	31 Å²	31	79.4 Å²	79.4	32%	0.32	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-85.7	-178.8	173.8	0	0	0	0	0	112.6	N1987 Q1991 G1992	N1987-G1989 PolarHBondContact O-N 2.97Å; G1989-Q1991 PolarHBondContact O-N 2.93Å; G1989-G1992 PolarHBondContact N-O 3.34Å; G1989-G1992 PolarHBondContact O-N 3.47Å
1990	K	71	Confident	82.3	Confident	230 Å²	230	73.7 Å²	73.7	100%	1	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.6	177.5	-65.8	-170.6	177.5	-173.9	0	114.1
1991	Q	71.3	Confident	84.9	Confident	174 Å²	174	75.3 Å²	75.3	81%	0.813	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	34.1	174.2	-64.1	-177.4	-6.8	0	0	112.1	G1989	G1989-Q1991 PolarHBondContact O-N 2.93Å
1992	G	86.4	Confident	86.6	Confident	23 Å²	23	72.2 Å²	72.2	24%	0.237	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	72.9	-154.6	-175.4	0	0	0	0	0	113	G1989 G1994	G1989-G1992 PolarHBondContact N-O 3.34Å; G1989-G1992 PolarHBondContact O-N 3.47Å; G1992-G1994 VanDerWaalsContact C-N 3.28Å; G1992-G1994 PolarHBondContact O-N 2.81Å
1993	F	93.5	Very high	87.4	Confident	24 Å²	24	68.5 Å²	68.5	11%	0.105	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-14.2	-176.8	-60.8	-67.4	0	0	0	114.1	I1986 K1988 F1995 A2025 I2056 L2063	I1986-F1993 HydrophobicContact CB-CD1 4.24Å; I1986-F1993 HydrophobicContact CG2-CB 4Å; I1986-F1993 HydrophobicContact CG2-CD1 4.02Å; I1986-F1993 HydrophobicContact CG2-CG 4.48Å; I1986-F1993 WeakPolarHBondContact O-CD1 3.21Å; I1986-F1993 WeakPolarHBondContact O-CE1 3.37Å; K1988-F1993 HydrophobicContact CB-CD1 4.03Å; K1988-F1993 HydrophobicContact CB-CE1 3.6Å; K1988-F1993 HydrophobicContact CB-CZ 4.04Å; K1988-F1993 HydrophobicContact CD-CZ 4.33Å; K1988-F1993 HydrophobicContact CG-CE1 4.25Å; K1988-F1993 HydrophobicContact CG-CZ 4.31Å; F1993-F1995 HydrophobicContact CB-CD1 3.93Å; F1993-F1995 HydrophobicContact CB-CE1 3.73Å; F1993-A2025 VanDerWaalsContact O-CB 3.24Å; F1993-A2025 WeakPolarHBondContact O-CB 3.49Å; F1993-A2025 PolarHBondContact O-N 3.12Å; F1993-I2056 HydrophobicContact CD2-CG2 4.03Å; F1993-I2056 HydrophobicContact CE2-CG2 4.06Å; F1993-L2063 HydrophobicContact CB-CD2 4.33Å; F1993-L2063 HydrophobicContact CD1-CB 3.79Å; F1993-L2063 HydrophobicContact CD1-CD2 4.2Å; F1993-L2063 HydrophobicContact CD2-CB 4.47Å; F1993-L2063 HydrophobicContact CD2-CD2 3.96Å; F1993-L2063 HydrophobicContact CE1-CB 3.47Å; F1993-L2063 VanDerWaalsContact CE1-CB 3.47Å; F1993-L2063 HydrophobicContact CE2-CB 4.2Å; F1993-L2063 HydrophobicContact CE2-CD2 4.33Å; F1993-L2063 HydrophobicContact CG-CB 4.3Å; F1993-L2063 HydrophobicContact CG-CD2 3.91Å; F1993-L2063 HydrophobicContact CZ-CB 3.71Å
1994	G	89.1	Confident	87.1	Confident	11 Å²	11	70.6 Å²	70.6	11%	0.113	35%	0.347	C	S	.	.	S	Bend	trans	77.8	30.7	172.6	0	0	0	0	0	116.1	G1992 V2020	G1992-G1994 VanDerWaalsContact C-N 3.28Å; G1992-G1994 PolarHBondContact O-N 2.81Å; G1994-V2020 WeakPolarHBondContact O-CB 3.39Å; G1994-V2020 WeakPolarHBondContact O-CG2 3.49Å; G1994-V2020 PolarHBondContact O-N 3.46Å
1995	F	94.7	Very high	86.3	Confident	25 Å²	25	71.5 Å²	71.5	11%	0.11	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	159.2	168.9	72.4	-77.6	0	0	0	111.1	I1986 F1993 F1997 V2016 V2019 A2025 L2030 I2036 I2056 L2063 L2065	I1986-F1995 HydrophobicContact CD1-CD1 4.23Å; I1986-F1995 HydrophobicContact CD1-CE1 4.03Å; F1993-F1995 HydrophobicContact CB-CD1 3.93Å; F1993-F1995 HydrophobicContact CB-CE1 3.73Å; F1995-F1997 HydrophobicContact CD2-CB 4.4Å; F1995-F1997 HydrophobicContact CD2-CD1 4.29Å; F1995-F1997 HydrophobicContact CE2-CB 4.26Å; F1995-F1997 AromaticContact CE2-CD1 3.71Å; F1995-F1997 HydrophobicContact CE2-CD1 3.71Å; F1995-F1997 HydrophobicContact CE2-CE1 4.45Å; F1995-F1997 HydrophobicContact CE2-CG 4.22Å; F1995-F1997 HydrophobicContact CZ-CD1 4.5Å; F1995-V2016 HydrophobicContact CD2-CG1 4.44Å; F1995-V2016 HydrophobicContact CD2-CG2 4.36Å; F1995-V2019 HydrophobicContact CB-CG1 4.37Å; F1995-V2019 HydrophobicContact CB-CG2 4.25Å; F1995-A2025 HydrophobicContact CB-CB 3.81Å; F1995-A2025 HydrophobicContact CD1-CB 3.79Å; F1995-A2025 HydrophobicContact CG-CB 4.17Å; F1995-L2030 HydrophobicContact CB-CD2 3.94Å; F1995-L2030 HydrophobicContact CD1-CD2 3.95Å; F1995-L2030 HydrophobicContact CD2-CD2 3.72Å; F1995-L2030 HydrophobicContact CE1-CD2 4.38Å; F1995-L2030 HydrophobicContact CE2-CD2 4.19Å; F1995-L2030 HydrophobicContact CG-CD2 3.59Å; F1995-L2030 HydrophobicContact CZ-CD2 4.5Å; F1995-I2036 HydrophobicContact CE2-CD1 4.14Å; F1995-I2056 HydrophobicContact CZ-CD1 4.29Å; F1995-L2063 HydrophobicContact CE1-CD2 3.63Å; F1995-L2063 HydrophobicContact CZ-CD2 3.84Å; F1995-L2065 HydrophobicContact CE1-CD1 4.39Å; F1995-L2065 HydrophobicContact CE2-CD1 4.48Å; F1995-L2065 HydrophobicContact CZ-CD1 3.99Å
1996	V	91.6	Very high	84.9	Confident	89 Å²	89	68.7 Å²	68.7	54%	0.539	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.4	170.3	-73.2	0	0	0	0	109.9	V2016 L2017 G2018	V1996-V2016 CarbonylContact O-C 3.59Å; V1996-L2017 HydrophobicContact CG2-CB 4.06Å; V1996-L2017 PolarHBondContact O-N 2.93Å; V1996-G2018 WeakPolarHBondContact CG2-O 3.44Å; V1996-G2018 PolarHBondContact N-O 2.8Å; V1996-G2018 PolarHBondContact O-N 3.1Å
1997	F	94.6	Very high	83.5	Confident	35 Å²	35	70.2 Å²	70.2	15%	0.154	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	163.6	-178.1	70.9	-76.2	0	0	0	110.6	F1995 H2014 L2015 I2036 H2049 V2052 V2053 I2056	F1995-F1997 HydrophobicContact CD2-CB 4.4Å; F1995-F1997 HydrophobicContact CD2-CD1 4.29Å; F1995-F1997 HydrophobicContact CE2-CB 4.26Å; F1995-F1997 AromaticContact CE2-CD1 3.71Å; F1995-F1997 HydrophobicContact CE2-CD1 3.71Å; F1995-F1997 HydrophobicContact CE2-CE1 4.45Å; F1995-F1997 HydrophobicContact CE2-CG 4.22Å; F1995-F1997 HydrophobicContact CZ-CD1 4.5Å; F1997-H2014 HydrophobicContact CD2-CB 4.21Å; F1997-H2014 AromaticContact CD2-CD2 3.7Å; F1997-H2014 AromaticContact CE2-CD2 3.67Å; F1997-L2015 CarbonylContact C-O 3.19Å; F1997-L2015 VanDerWaalsContact CA-O 3.22Å; F1997-L2015 WeakPolarHBondContact CA-O 3.19Å; F1997-L2015 WeakPolarHBondContact CB-O 3.45Å; F1997-I2036 HydrophobicContact CB-CD1 4.24Å; F1997-I2036 HydrophobicContact CD2-CD1 4.26Å; F1997-I2036 HydrophobicContact CG-CD1 4.24Å; F1997-H2049 AromaticContact CD2-CE1 3.77Å; F1997-H2049 AromaticContact CE2-CE1 3.41Å; F1997-H2049 VanDerWaalsContact CE2-CE1 3.41Å; F1997-H2049 WeakPolarHBondContact CE2-CE1 3.22Å; F1997-H2049 AromaticContact CE2-ND1 3.71Å; F1997-H2049 AromaticContact CZ-CE1 3.93Å; F1997-V2052 HydrophobicContact CE2-CB 4.44Å; F1997-V2052 HydrophobicContact CE2-CG1 3.82Å; F1997-V2052 HydrophobicContact CZ-CG1 4.24Å; F1997-V2053 HydrophobicContact CE1-CG2 4.47Å; F1997-V2053 HydrophobicContact CZ-CG2 3.72Å; F1997-I2056 HydrophobicContact CD1-CD1 4.38Å; F1997-I2056 HydrophobicContact CE1-CD1 3.59Å; F1997-I2056 HydrophobicContact CE2-CD1 4.21Å; F1997-I2056 HydrophobicContact CZ-CD1 3.5Å; F1997-I2056 VanDerWaalsContact CZ-CD1 3.5Å
1998	R	90.6	Very high	82.4	Confident	117 Å²	117	71.6 Å²	71.6	44%	0.442	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	159.3	174.5	64.9	176.8	174.1	178.3	-0.8	111	I2000 H2014 L2015 L2017	R1998-I2000 HydrophobicContact CG-CG2 4.08Å; R1998-H2014 CarbonylContact O-C 3.59Å; R1998-H2014 WeakPolarHBondContact O-CA 3.49Å; R1998-L2015 HydrophobicContact CG-CB 4.49Å; R1998-L2015 PolarHBondContact N-O 3.12Å; R1998-L2015 PolarHBondContact O-N 3.39Å; R1998-L2017 HydrophobicContact CB-CD1 3.8Å; R1998-L2017 HydrophobicContact CB-CG 4.25Å; R1998-L2017 HydrophobicContact CG-CD1 3.96Å; R1998-L2017 HydrophobicContact CG-CG 3.9Å
1999	A	90.7	Very high	81.1	Confident	32 Å²	32	67.9 Å²	67.9	26%	0.264	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	148.4	158.4	0	0	0	0	0	111.2	L2012 H2013 H2049	A1999-L2012 HydrophobicContact CB-CD2 4.1Å; A1999-H2013 CarbonylContact C-O 3.59Å; A1999-H2013 WeakPolarHBondContact CA-O 3.26Å; A1999-H2049 HydrophobicContact CB-CB 4.2Å
2000	I	89.5	Confident	81.4	Confident	29 Å²	29	71 Å²	71	15%	0.149	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.7	169.2	60.5	168.4	0	0	0	109.5	R1998 V2002 H2013 L2015 L2035 I2070	R1998-I2000 HydrophobicContact CG-CG2 4.08Å; I2000-V2002 HydrophobicContact CD1-CG2 4.21Å; I2000-V2002 HydrophobicContact CG1-CG2 4.2Å; I2000-H2013 HydrophobicContact CG1-CB 4.19Å; I2000-H2013 WeakPolarHBondContact CG1-O 3.45Å; I2000-H2013 PolarHBondContact N-O 2.98Å; I2000-H2013 PolarHBondContact O-N 2.8Å; I2000-L2015 HydrophobicContact CD1-CB 4.26Å; I2000-L2015 HydrophobicContact CG1-CB 4.47Å; I2000-L2015 HydrophobicContact CG2-CB 4.16Å; I2000-L2015 HydrophobicContact CG2-CD2 4.34Å; I2000-L2035 HydrophobicContact CD1-CD1 3.83Å; I2000-L2035 HydrophobicContact CG1-CD1 4.46Å; I2000-I2070 HydrophobicContact CD1-CD1 4.23Å
2001	R	89.7	Confident	82.3	Confident	136 Å²	136	61.7 Å²	61.7	51%	0.513	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	120.7	172.5	-64.4	-173.7	171.5	125.8	-1.4	109.5	E1113 F2003 Y2010 L2012	E1113-R2001 IonicContact OE1-NH1 2.9Å; R2001-F2003 HydrophobicContact CB-CD2 4.49Å; R2001-F2003 HydrophobicContact CB-CE2 3.87Å; R2001-F2003 HydrophobicContact CB-CZ 4.27Å; R2001-Y2010 HydrophobicContact CB-CD2 3.75Å; R2001-Y2010 HydrophobicContact CB-CE2 4.28Å; R2001-Y2010 HydrophobicContact CB-CG 4.01Å; R2001-Y2010 HydrophobicContact CG-CD2 3.57Å; R2001-Y2010 HydrophobicContact CG-CE2 3.56Å; R2001-Y2010 HydrophobicContact CG-CG 4.15Å; R2001-Y2010 VanDerWaalsContact NE-CZ 3.26Å; R2001-Y2010 PolarHBondContact NE-OH 2.83Å; R2001-L2012 HydrophobicContact CG-CD2 4.39Å
2002	V	87	Confident	83.2	Confident	22 Å²	22	55 Å²	55	13%	0.133	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	105.8	176.9	-178.4	0	0	0	0	108.5	I2000 Y2010 T2011 H2013 I2075	I2000-V2002 HydrophobicContact CD1-CG2 4.21Å; I2000-V2002 HydrophobicContact CG1-CG2 4.2Å; V2002-Y2010 CarbonylContact O-C 3.58Å; V2002-Y2010 WeakPolarHBondContact O-CA 3.43Å; V2002-Y2010 WeakPolarHBondContact O-CB 3.44Å; V2002-T2011 PolarHBondContact N-O 3.14Å; V2002-T2011 PolarHBondContact O-N 2.9Å; V2002-H2013 HydrophobicContact CG2-CB 3.85Å; V2002-H2013 WeakPolarHBondContact CG2-CD2 3.3Å; V2002-I2075 HydrophobicContact CG1-CD1 4.1Å; V2002-I2075 HydrophobicContact CG1-CG1 4.04Å; V2002-I2075 HydrophobicContact CG1-CG2 4.4Å; V2002-I2075 HydrophobicContact CG2-CD1 3.91Å
2003	F	81.3	Confident	83.6	Confident	103 Å²	103	54.3 Å²	54.3	45%	0.452	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	142.2	-175.3	-69.3	-91.5	0	0	0	112.7	R2001 G2005 D2008 A2009 Y2010	R2001-F2003 HydrophobicContact CB-CD2 4.49Å; R2001-F2003 HydrophobicContact CB-CE2 3.87Å; R2001-F2003 HydrophobicContact CB-CZ 4.27Å; F2003-G2005 PolarHBondContact O-N 2.71Å; F2003-G2005 VanDerWaalsContact O-N 3.12Å; F2003-D2008 WeakPolarHBondContact CE1-O 3.5Å; F2003-A2009 WeakPolarHBondContact CA-O 3.42Å; F2003-Y2010 HydrophobicContact CD1-CD1 4.4Å; F2003-Y2010 AromaticContact CE1-CD1 3.84Å; F2003-Y2010 HydrophobicContact CE1-CD1 3.84Å; F2003-Y2010 HydrophobicContact CE1-CG 4.28Å; F2003-Y2010 HydrophobicContact CZ-CD1 4.24Å
2004	F	76.9	Confident	83.7	Confident	63 Å²	63	53.1 Å²	53.1	28%	0.276	28%	0.278	S	S	.	.			trans	-80.3	93.9	179.1	-65.9	-74.3	0	0	0	111.7	L1969 L2006 S2007 A2009 T2011	L1969-F2004 HydrophobicContact CD2-CD1 4.44Å; L1969-F2004 HydrophobicContact CD2-CD2 3.83Å; L1969-F2004 HydrophobicContact CD2-CE1 4.18Å; L1969-F2004 HydrophobicContact CD2-CE2 3.54Å; L1969-F2004 HydrophobicContact CD2-CG 4.28Å; L1969-F2004 HydrophobicContact CD2-CZ 3.73Å; F2004-L2006 PolarHBondContact O-N 3.11Å; F2004-L2006 VanDerWaalsContact O-N 3.07Å; F2004-S2007 PolarHBondContact O-N 2.78Å; F2004-S2007 PolarHBondContact O-OG 3.35Å; F2004-A2009 HydrophobicContact CD2-CB 4.32Å; F2004-A2009 WeakPolarHBondContact CD2-O 3.28Å; F2004-A2009 PolarHBondContact N-O 3.28Å; F2004-T2011 HydrophobicContact CE2-CG2 3.95Å; F2004-T2011 HydrophobicContact CZ-CG2 3.66Å
2005	G	74.5	Confident	83.9	Confident	38 Å²	38	53.2 Å²	53.2	39%	0.392	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	-101.5	176.7	0	0	0	0	0	112	F2003	F2003-G2005 PolarHBondContact O-N 2.71Å; F2003-G2005 VanDerWaalsContact O-N 3.12Å
2006	L	63.2	Low	83.9	Confident	33 Å²	33	52 Å²	52	17%	0.173	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	29.6	164.3	-20.8	156.3	0	0	0	111.1	K1965 F2004 P2080	K1965-L2006 HydrophobicContact CD-CB 4.43Å; K1965-L2006 HydrophobicContact CD-CD1 4.05Å; K1965-L2006 HydrophobicContact CD-CG 4.48Å; K1965-L2006 VanDerWaalsContact CE-C 3.48Å; K1965-L2006 VanDerWaalsContact CE-O 3.23Å; K1965-L2006 WeakPolarHBondContact CE-O 3.44Å; K1965-L2006 HydrophobicContact CG-CD1 3.98Å; K1965-L2006 HydrophobicContact CG-CG 4.27Å; K1965-L2006 PolarHBondContact NZ-O 2.9Å; F2004-L2006 PolarHBondContact O-N 3.11Å; F2004-L2006 VanDerWaalsContact O-N 3.07Å; L2006-P2080 HydrophobicContact CB-CG 4.4Å; L2006-P2080 HydrophobicContact CD2-CB 4.24Å; L2006-P2080 HydrophobicContact CD2-CG 3.73Å
2007	S	64.5	Low	83.8	Confident	34 Å²	34	51.7 Å²	51.7	24%	0.238	27%	0.265	C	S	.	.	S	Bend	trans	-83.6	154.7	163.9	64.8	0	0	0	0	109.9	F2004 A2009	F2004-S2007 PolarHBondContact O-N 2.78Å; F2004-S2007 PolarHBondContact O-OG 3.35Å; S2007-A2009 PolarHBondContact O-N 2.94Å
2008	D	65.3	Low	83.4	Confident	128 Å²	128	50.7 Å²	50.7	68%	0.684	26%	0.264	S	S	*	.	S	Bend	trans	-78.4	-5	-179.8	-43.2	-63.1	0	0	0	112.4	F2003	F2003-D2008 WeakPolarHBondContact CE1-O 3.5Å
2009	A	57.8	Low	83.4	Confident	49 Å²	49	46.4 Å²	46.4	41%	0.405	25%	0.251	S	S	.	.			trans	-72.9	139.8	168.6	0	0	0	0	0	112	F2003 F2004 S2007	F2003-A2009 WeakPolarHBondContact CA-O 3.42Å; F2004-A2009 HydrophobicContact CD2-CB 4.32Å; F2004-A2009 WeakPolarHBondContact CD2-O 3.28Å; F2004-A2009 PolarHBondContact N-O 3.28Å; S2007-A2009 PolarHBondContact O-N 2.94Å
2010	Y	87.2	Confident	83.3	Confident	96 Å²	96	48.1 Å²	48.1	38%	0.376	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	160.8	-178	63.7	-89.5	0	0	0	112.2	R2001 V2002 F2003 L2012	R2001-Y2010 HydrophobicContact CB-CD2 3.75Å; R2001-Y2010 HydrophobicContact CB-CE2 4.28Å; R2001-Y2010 HydrophobicContact CB-CG 4.01Å; R2001-Y2010 HydrophobicContact CG-CD2 3.57Å; R2001-Y2010 HydrophobicContact CG-CE2 3.56Å; R2001-Y2010 HydrophobicContact CG-CG 4.15Å; R2001-Y2010 VanDerWaalsContact NE-CZ 3.26Å; R2001-Y2010 PolarHBondContact NE-OH 2.83Å; V2002-Y2010 CarbonylContact O-C 3.58Å; V2002-Y2010 WeakPolarHBondContact O-CA 3.43Å; V2002-Y2010 WeakPolarHBondContact O-CB 3.44Å; F2003-Y2010 HydrophobicContact CD1-CD1 4.4Å; F2003-Y2010 AromaticContact CE1-CD1 3.84Å; F2003-Y2010 HydrophobicContact CE1-CD1 3.84Å; F2003-Y2010 HydrophobicContact CE1-CG 4.28Å; F2003-Y2010 HydrophobicContact CZ-CD1 4.24Å; Y2010-L2012 HydrophobicContact CE2-CD2 4.45Å
2011	T	89.2	Confident	83	Confident	34 Å²	34	51.7 Å²	51.7	21%	0.209	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	153.6	161	35.7	0	0	0	0	111	V2002 F2004 H2013	V2002-T2011 PolarHBondContact N-O 3.14Å; V2002-T2011 PolarHBondContact O-N 2.9Å; F2004-T2011 HydrophobicContact CE2-CG2 3.95Å; F2004-T2011 HydrophobicContact CZ-CG2 3.66Å; T2011-H2013 PolarHBondContact OG1-CD2 3.19Å; T2011-H2013 PolarHBondContact OG1-NE2 2.79Å
2012	L	91.1	Very high	82.6	Confident	33 Å²	33	53 Å²	53	17%	0.173	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	131.8	166.1	-68.5	165.7	0	0	0	109.3	A1999 R2001 Y2010 G2046 M2047 Y2048	A1999-L2012 HydrophobicContact CB-CD2 4.1Å; R2001-L2012 HydrophobicContact CG-CD2 4.39Å; Y2010-L2012 HydrophobicContact CE2-CD2 4.45Å; L2012-G2046 WeakPolarHBondContact O-CA 3.06Å; L2012-G2046 PolarHBondContact O-N 2.99Å; L2012-M2047 WeakPolarHBondContact CB-O 3.3Å; L2012-Y2048 HydrophobicContact CD1-CD1 3.8Å; L2012-Y2048 HydrophobicContact CD1-CE1 4.28Å; L2012-Y2048 HydrophobicContact CD1-CG 4.42Å
2013	H	93.6	Very high	82.6	Confident	9 Å²	9	52.6 Å²	52.6	4%	0.042	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	158.2	169.2	-70.8	-115.7	0	0	0	108.9	A1999 I2000 V2002 T2011 L2035	A1999-H2013 CarbonylContact C-O 3.59Å; A1999-H2013 WeakPolarHBondContact CA-O 3.26Å; I2000-H2013 HydrophobicContact CG1-CB 4.19Å; I2000-H2013 WeakPolarHBondContact CG1-O 3.45Å; I2000-H2013 PolarHBondContact N-O 2.98Å; I2000-H2013 PolarHBondContact O-N 2.8Å; V2002-H2013 HydrophobicContact CG2-CB 3.85Å; V2002-H2013 WeakPolarHBondContact CG2-CD2 3.3Å; T2011-H2013 PolarHBondContact OG1-CD2 3.19Å; T2011-H2013 PolarHBondContact OG1-NE2 2.79Å; H2013-L2035 HydrophobicContact CB-CD1 4.09Å; H2013-L2035 HydrophobicContact CB-CD2 4.42Å
2014	H	95.2	Very high	83	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.6	-174.7	-74.4	90.5	0	0	0	111.8	F1997 R1998 L2035 I2036 H2049 V2052	F1997-H2014 HydrophobicContact CD2-CB 4.21Å; F1997-H2014 AromaticContact CD2-CD2 3.7Å; F1997-H2014 AromaticContact CE2-CD2 3.67Å; R1998-H2014 CarbonylContact O-C 3.59Å; R1998-H2014 WeakPolarHBondContact O-CA 3.49Å; H2014-L2035 CarbonylContact O-C 3.59Å; H2014-L2035 WeakPolarHBondContact O-CA 3.33Å; H2014-L2035 WeakPolarHBondContact O-CD1 3.25Å; H2014-I2036 HydrophobicContact CB-CB 4.12Å; H2014-I2036 HydrophobicContact CB-CD1 4.43Å; H2014-I2036 PolarHBondContact O-N 3.26Å; H2014-H2049 AromaticContact CD2-ND1 3.38Å; H2014-H2049 PolarHBondContact CD2-ND1 2.72Å; H2014-H2049 WeakPolarHBondContact NE2-CA 3.42Å; H2014-H2049 AromaticContact NE2-CG 3.85Å; H2014-H2049 AromaticContact NE2-ND1 3.09Å; H2014-H2049 PolarHBondContact NE2-ND1 3.33Å; H2014-V2052 VanDerWaalsContact CE1-CG2 3.44Å; H2014-V2052 WeakPolarHBondContact CE1-CG2 3.42Å
2015	L	93.6	Very high	83.7	Confident	12 Å²	12	46.6 Å²	46.6	6%	0.063	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.5	-175.3	-173.3	76.9	0	0	0	110.3	F1997 R1998 I2000 L2017 L2035 I2070	F1997-L2015 CarbonylContact C-O 3.19Å; F1997-L2015 VanDerWaalsContact CA-O 3.22Å; F1997-L2015 WeakPolarHBondContact CA-O 3.19Å; F1997-L2015 WeakPolarHBondContact CB-O 3.45Å; R1998-L2015 HydrophobicContact CG-CB 4.49Å; R1998-L2015 PolarHBondContact N-O 3.12Å; R1998-L2015 PolarHBondContact O-N 3.39Å; I2000-L2015 HydrophobicContact CD1-CB 4.26Å; I2000-L2015 HydrophobicContact CG1-CB 4.47Å; I2000-L2015 HydrophobicContact CG2-CB 4.16Å; I2000-L2015 HydrophobicContact CG2-CD2 4.34Å; L2015-L2017 PolarHBondContact O-N 3.36Å; L2015-L2035 HydrophobicContact CB-CD1 4.28Å; L2015-L2035 HydrophobicContact CD1-CB 4.49Å; L2015-L2035 HydrophobicContact CD1-CD1 3.91Å; L2015-I2070 HydrophobicContact CD1-CB 3.93Å; L2015-I2070 HydrophobicContact CD1-CD1 4.04Å; L2015-I2070 HydrophobicContact CD1-CG1 4.45Å; L2015-I2070 HydrophobicContact CD1-CG2 4.32Å
2016	V	94.2	Very high	84.5	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	119.7	172.5	-178.9	0	0	0	0	109.2	F1995 V1996 V2019 L2030 K2031 A2033 D2034 I2036	F1995-V2016 HydrophobicContact CD2-CG1 4.44Å; F1995-V2016 HydrophobicContact CD2-CG2 4.36Å; V1996-V2016 CarbonylContact O-C 3.59Å; V2016-V2019 HydrophobicContact CG1-CG2 3.54Å; V2016-L2030 HydrophobicContact CG1-CD2 4.35Å; V2016-L2030 HydrophobicContact CG2-CD1 4.13Å; V2016-L2030 HydrophobicContact CG2-CD2 3.89Å; V2016-L2030 HydrophobicContact CG2-CG 4.08Å; V2016-K2031 WeakPolarHBondContact CG1-O 3.27Å; V2016-A2033 WeakPolarHBondContact O-CA 3.16Å; V2016-A2033 PolarHBondContact O-N 3.08Å; V2016-D2034 HydrophobicContact CB-CB 4.43Å; V2016-D2034 HydrophobicContact CG2-CB 4.12Å; V2016-D2034 WeakPolarHBondContact CG2-O 3.47Å; V2016-D2034 PolarHBondContact N-O 2.84Å; V2016-I2036 HydrophobicContact CG2-CD1 4.25Å; V2016-I2036 HydrophobicContact CG2-CG1 4.14Å
2017	L	89.7	Confident	85.6	Confident	82 Å²	82	53.4 Å²	53.4	43%	0.429	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-16	-175.1	-112.2	-179.5	0	0	0	113.4	V1996 R1998 L2015	V1996-L2017 HydrophobicContact CG2-CB 4.06Å; V1996-L2017 PolarHBondContact O-N 2.93Å; R1998-L2017 HydrophobicContact CB-CD1 3.8Å; R1998-L2017 HydrophobicContact CB-CG 4.25Å; R1998-L2017 HydrophobicContact CG-CD1 3.96Å; R1998-L2017 HydrophobicContact CG-CG 3.9Å; L2015-L2017 PolarHBondContact O-N 3.36Å
2018	G	86.5	Confident	86.9	Confident	13 Å²	13	53.4 Å²	53.4	13%	0.134	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.6	145.5	-176.4	0	0	0	0	0	109.9	V1996	V1996-G2018 WeakPolarHBondContact CG2-O 3.44Å; V1996-G2018 PolarHBondContact N-O 2.8Å; V1996-G2018 PolarHBondContact O-N 3.1Å
2019	V	91.8	Very high	88.1	Confident	28 Å²	28	49.1 Å²	49.1	17%	0.17	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.5	177.5	-172.1	0	0	0	0	107.7	F1995 V2016 P2021 A2025 A2026	F1995-V2019 HydrophobicContact CB-CG1 4.37Å; F1995-V2019 HydrophobicContact CB-CG2 4.25Å; V2016-V2019 HydrophobicContact CG1-CG2 3.54Å; V2019-P2021 WeakPolarHBondContact O-CD 3.24Å; V2019-A2025 HydrophobicContact CG1-CB 3.75Å; V2019-A2026 HydrophobicContact CG1-CB 3.83Å
2020	V	86.7	Confident	89.8	Confident	68 Å²	68	47 Å²	47	41%	0.412	27%	0.267	S	S	.	.			trans	-64.3	121.3	-178.5	178.3	0	0	0	0	108.5	G1994 H2022 G2023 A2026	G1994-V2020 WeakPolarHBondContact O-CB 3.39Å; G1994-V2020 WeakPolarHBondContact O-CG2 3.49Å; G1994-V2020 PolarHBondContact O-N 3.46Å; V2020-H2022 PolarHBondContact O-N 3.05Å; V2020-G2023 PolarHBondContact O-N 2.94Å; V2020-A2026 WeakPolarHBondContact O-CB 3.28Å
2021	P	83.2	Confident	90	Very high	103 Å²	103	49.1 Å²	49.1	67%	0.669	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	131.5	179.2	-27.5	36	0	0	0	111.3	V2019 G2023	V2019-P2021 WeakPolarHBondContact O-CD 3.24Å; P2021-G2023 PolarHBondContact O-N 3.43Å
2022	H	81.5	Confident	90.1	Very high	165 Å²	165	51.7 Å²	51.7	76%	0.764	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	2	-174.7	-44.7	-83.9	0	0	0	116.2	V2020 K2027	V2020-H2022 PolarHBondContact O-N 3.05Å; H2022-K2027 VanDerWaalsContact O-CE 3.31Å; H2022-K2027 WeakPolarHBondContact O-CE 3.43Å
2023	G	87.6	Confident	90.1	Very high	13 Å²	13	52 Å²	52	13%	0.134	30%	0.296	C	S	.	.	S	Bend	trans	-69.2	171.9	173.7	0	0	0	0	0	113.1	V2020 P2021 A2025 A2026 K2027	V2020-G2023 PolarHBondContact O-N 2.94Å; P2021-G2023 PolarHBondContact O-N 3.43Å; G2023-A2025 PolarHBondContact O-N 2.97Å; G2023-A2026 WeakPolarHBondContact O-CB 3.41Å; G2023-A2026 PolarHBondContact O-N 3.3Å; G2023-K2027 PolarHBondContact O-N 3.37Å
2024	P	90.5	Very high	90.1	Very high	39 Å²	39	51.8 Å²	51.8	25%	0.253	30%	0.295	S	S	.	.	H	α-helix	trans	-58.8	-43.2	-172	-24.2	33.6	0	0	0	113.7	I1986 N1987 A2026 K2027 A2028	I1986-P2024 HydrophobicContact CG2-CB 3.88Å; N1987-P2024 WeakPolarHBondContact O-CB 3.48Å; P2024-A2026 VanDerWaalsContact C-N 3.34Å; P2024-A2026 PolarHBondContact O-N 3.01Å; P2024-K2027 PolarHBondContact O-N 3.04Å; P2024-A2028 WeakPolarHBondContact O-CB 2.86Å; P2024-A2028 PolarHBondContact O-N 2.79Å
2025	A	92	Very high	90	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.6	-37.6	175.1	0	0	0	0	0	113.5	I1986 F1993 F1995 V2019 G2023 A2028 G2029 L2030	I1986-A2025 HydrophobicContact CD1-CB 3.92Å; I1986-A2025 HydrophobicContact CG2-CB 4.16Å; F1993-A2025 VanDerWaalsContact O-CB 3.24Å; F1993-A2025 WeakPolarHBondContact O-CB 3.49Å; F1993-A2025 PolarHBondContact O-N 3.12Å; F1995-A2025 HydrophobicContact CB-CB 3.81Å; F1995-A2025 HydrophobicContact CD1-CB 3.79Å; F1995-A2025 HydrophobicContact CG-CB 4.17Å; V2019-A2025 HydrophobicContact CG1-CB 3.75Å; G2023-A2025 PolarHBondContact O-N 2.97Å; A2025-A2028 PolarHBondContact O-N 3.08Å; A2025-G2029 PolarHBondContact O-N 2.74Å; A2025-L2030 HydrophobicContact CB-CB 4.2Å; A2025-L2030 HydrophobicContact CB-CD2 4.08Å; A2025-L2030 WeakPolarHBondContact O-CB 3.02Å; A2025-L2030 PolarHBondContact O-N 3.15Å
2026	A	89.7	Confident	90.1	Very high	38 Å²	38	51.4 Å²	51.4	31%	0.314	29%	0.292	S	S	.	.	H	α-helix	trans	-66.8	-41.5	175.1	0	0	0	0	0	111.4	V2019 V2020 G2023 P2024 A2028 G2029	V2019-A2026 HydrophobicContact CG1-CB 3.83Å; V2020-A2026 WeakPolarHBondContact O-CB 3.28Å; G2023-A2026 WeakPolarHBondContact O-CB 3.41Å; G2023-A2026 PolarHBondContact O-N 3.3Å; P2024-A2026 VanDerWaalsContact C-N 3.34Å; P2024-A2026 PolarHBondContact O-N 3.01Å; A2026-A2028 VanDerWaalsContact C-N 3.33Å; A2026-G2029 PolarHBondContact O-N 2.94Å; A2026-G2029 VanDerWaalsContact O-N 3.12Å
2027	K	87.9	Confident	90.1	Very high	177 Å²	177	52.8 Å²	52.8	77%	0.77	30%	0.3	S	S	*	.	H	α-helix	trans	-64.7	-35.9	174.7	-68.7	-173.9	177.4	-173.3	0	112.5	H2022 G2023 P2024 G2029	H2022-K2027 VanDerWaalsContact O-CE 3.31Å; H2022-K2027 WeakPolarHBondContact O-CE 3.43Å; G2023-K2027 PolarHBondContact O-N 3.37Å; P2024-K2027 PolarHBondContact O-N 3.04Å; K2027-G2029 PolarHBondContact O-N 3.43Å
2028	A	91.4	Very high	90.3	Very high	33 Å²	33	49.5 Å²	49.5	27%	0.273	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.3	173.7	0	0	0	0	0	113.9	I1984 I1985 I1986 P2024 A2025 A2026	I1984-A2028 HydrophobicContact CG2-CB 3.81Å; I1985-A2028 VanDerWaalsContact O-CB 3.25Å; I1985-A2028 WeakPolarHBondContact O-CB 3.42Å; I1986-A2028 HydrophobicContact CB-CB 4.42Å; I1986-A2028 HydrophobicContact CG1-CB 3.8Å; P2024-A2028 WeakPolarHBondContact O-CB 2.86Å; P2024-A2028 PolarHBondContact O-N 2.79Å; A2025-A2028 PolarHBondContact O-N 3.08Å; A2026-A2028 VanDerWaalsContact C-N 3.33Å
2029	G	90.1	Very high	90.6	Very high	38 Å²	38	48.9 Å²	48.9	39%	0.392	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	9.4	177.1	0	0	0	0	0	115.8	A2025 A2026 K2027	A2025-G2029 PolarHBondContact O-N 2.74Å; A2026-G2029 PolarHBondContact O-N 2.94Å; A2026-G2029 VanDerWaalsContact O-N 3.12Å; K2027-G2029 PolarHBondContact O-N 3.43Å
2030	L	93.9	Very high	90.6	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	28%	0.283	C	S	.	.			trans	-67.4	139.4	169.9	-164.8	71	0	0	0	110	I1984 I1986 F1995 V2016 A2025 D2034 L2065 A2067	I1984-L2030 HydrophobicContact CD1-CD1 3.81Å; I1984-L2030 HydrophobicContact CG2-CB 4.18Å; I1984-L2030 HydrophobicContact CG2-CD1 4.49Å; I1986-L2030 HydrophobicContact CD1-CB 4.48Å; I1986-L2030 HydrophobicContact CD1-CD2 4.02Å; F1995-L2030 HydrophobicContact CB-CD2 3.94Å; F1995-L2030 HydrophobicContact CD1-CD2 3.95Å; F1995-L2030 HydrophobicContact CD2-CD2 3.72Å; F1995-L2030 HydrophobicContact CE1-CD2 4.38Å; F1995-L2030 HydrophobicContact CE2-CD2 4.19Å; F1995-L2030 HydrophobicContact CG-CD2 3.59Å; F1995-L2030 HydrophobicContact CZ-CD2 4.5Å; V2016-L2030 HydrophobicContact CG1-CD2 4.35Å; V2016-L2030 HydrophobicContact CG2-CD1 4.13Å; V2016-L2030 HydrophobicContact CG2-CD2 3.89Å; V2016-L2030 HydrophobicContact CG2-CG 4.08Å; A2025-L2030 HydrophobicContact CB-CB 4.2Å; A2025-L2030 HydrophobicContact CB-CD2 4.08Å; A2025-L2030 WeakPolarHBondContact O-CB 3.02Å; A2025-L2030 PolarHBondContact O-N 3.15Å; L2030-D2034 HydrophobicContact CD1-CB 4.26Å; L2030-L2065 HydrophobicContact CD1-CD1 4.08Å; L2030-L2065 HydrophobicContact CD2-CD1 4.03Å; L2030-A2067 HydrophobicContact CD1-CB 3.81Å
2031	K	91.6	Very high	90.8	Very high	142 Å²	142	51.2 Å²	51.2	62%	0.617	29%	0.286	S	S	*	.			trans	-126.4	156.7	-176.7	-59	-171.1	-177.9	-173.7	0	112.3	V2016 D2034	V2016-K2031 WeakPolarHBondContact CG1-O 3.27Å; K2031-D2034 PolarHBondContact N-OD2 3.47Å; K2031-D2034 VanDerWaalsContact O-CB 3.28Å; K2031-D2034 WeakPolarHBondContact O-CB 3.3Å; K2031-D2034 PolarHBondContact O-N 3.14Å; K2031-D2034 VanDerWaalsContact O-N 3.13Å
2032	E	90.5	Very high	91.1	Very high	87 Å²	87	49.6 Å²	49.6	41%	0.407	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	140.9	172.1	-168.6	168.9	148.9	0	0	110.6	D2034 V2528	E2032-D2034 VanDerWaalsContact C-N 3.25Å; E2032-D2034 PolarHBondContact O-N 3.39Å; E2032-V2528 WeakPolarHBondContact OE1-CB 3.32Å; E2032-V2528 VanDerWaalsContact OE1-CG2 3.27Å; E2032-V2528 WeakPolarHBondContact OE1-CG2 3.47Å; E2032-V2528 WeakPolarHBondContact OE2-CG2 3.29Å
2033	A	90.4	Very high	91.7	Very high	41 Å²	41	43.2 Å²	43.2	34%	0.339	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	17	-169.1	0	0	0	0	0	116.2	V2016 I2070	V2016-A2033 WeakPolarHBondContact O-CA 3.16Å; V2016-A2033 PolarHBondContact O-N 3.08Å; A2033-I2070 HydrophobicContact CB-CG2 3.94Å; A2033-I2070 WeakPolarHBondContact O-CB 3.46Å; A2033-I2070 WeakPolarHBondContact O-CG2 3.2Å; A2033-I2070 PolarHBondContact O-N 3.21Å
2034	D	94.6	Very high	91.8	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	135.4	160.2	-80.5	-26.4	0	0	0	111.3	V2016 L2030 K2031 E2032 A2067 P2069	V2016-D2034 HydrophobicContact CB-CB 4.43Å; V2016-D2034 HydrophobicContact CG2-CB 4.12Å; V2016-D2034 WeakPolarHBondContact CG2-O 3.47Å; V2016-D2034 PolarHBondContact N-O 2.84Å; L2030-D2034 HydrophobicContact CD1-CB 4.26Å; K2031-D2034 PolarHBondContact N-OD2 3.47Å; K2031-D2034 VanDerWaalsContact O-CB 3.28Å; K2031-D2034 WeakPolarHBondContact O-CB 3.3Å; K2031-D2034 PolarHBondContact O-N 3.14Å; K2031-D2034 VanDerWaalsContact O-N 3.13Å; E2032-D2034 VanDerWaalsContact C-N 3.25Å; E2032-D2034 PolarHBondContact O-N 3.39Å; D2034-A2067 HydrophobicContact CB-CB 4.07Å; D2034-P2069 VanDerWaalsContact OD1-CA 3.23Å; D2034-P2069 WeakPolarHBondContact OD1-CA 3.41Å; D2034-P2069 WeakPolarHBondContact OD1-CD 3.34Å; D2034-P2069 WeakPolarHBondContact OD1-CG 3.46Å; D2034-P2069 VanDerWaalsContact OD1-N 3.09Å
2035	L	93.6	Very high	91.7	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.4	173.8	-161.4	83.4	0	0	0	109.6	I2000 H2013 H2014 L2015 L2037 A2067 T2068 T2073 I2075	I2000-L2035 HydrophobicContact CD1-CD1 3.83Å; I2000-L2035 HydrophobicContact CG1-CD1 4.46Å; H2013-L2035 HydrophobicContact CB-CD1 4.09Å; H2013-L2035 HydrophobicContact CB-CD2 4.42Å; H2014-L2035 CarbonylContact O-C 3.59Å; H2014-L2035 WeakPolarHBondContact O-CA 3.33Å; H2014-L2035 WeakPolarHBondContact O-CD1 3.25Å; L2015-L2035 HydrophobicContact CB-CD1 4.28Å; L2015-L2035 HydrophobicContact CD1-CB 4.49Å; L2015-L2035 HydrophobicContact CD1-CD1 3.91Å; L2035-L2037 HydrophobicContact CD2-CD2 4.07Å; L2035-A2067 CarbonylContact O-C 3.58Å; L2035-A2067 WeakPolarHBondContact O-CA 3.46Å; L2035-T2068 WeakPolarHBondContact CB-O 3.45Å; L2035-T2068 PolarHBondContact N-O 2.92Å; L2035-T2068 PolarHBondContact O-N 2.93Å; L2035-T2073 HydrophobicContact CD2-CG2 4.22Å; L2035-I2075 HydrophobicContact CD1-CD1 4.43Å; L2035-I2075 HydrophobicContact CD2-CD1 3.62Å
2036	I	95.1	Very high	91.5	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	126.1	178.5	-50.8	176.4	0	0	0	109	F1995 F1997 H2014 V2016 V2039 T2044 L2065	F1995-I2036 HydrophobicContact CE2-CD1 4.14Å; F1997-I2036 HydrophobicContact CB-CD1 4.24Å; F1997-I2036 HydrophobicContact CD2-CD1 4.26Å; F1997-I2036 HydrophobicContact CG-CD1 4.24Å; H2014-I2036 HydrophobicContact CB-CB 4.12Å; H2014-I2036 HydrophobicContact CB-CD1 4.43Å; H2014-I2036 PolarHBondContact O-N 3.26Å; V2016-I2036 HydrophobicContact CG2-CD1 4.25Å; V2016-I2036 HydrophobicContact CG2-CG1 4.14Å; I2036-V2039 HydrophobicContact CG2-CG2 4.13Å; I2036-T2044 VanDerWaalsContact C-OG1 3.28Å; I2036-T2044 HydrophobicContact CG2-CG2 4.24Å; I2036-T2044 PolarHBondContact O-OG1 3.25Å; I2036-L2065 HydrophobicContact CG2-CD2 4.19Å
2037	L	93.9	Very high	91.4	Very high	31 Å²	31	44.4 Å²	44.4	16%	0.162	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-31.8	-176.2	-55.6	176.7	0	0	0	112.3	Y1975 L2035 S2043 T2044 I2045 H2066	Y1975-L2037 VanDerWaalsContact OH-CD1 3.25Å; Y1975-L2037 WeakPolarHBondContact OH-CD1 3.36Å; L2035-L2037 HydrophobicContact CD2-CD2 4.07Å; L2037-S2043 VanDerWaalsContact O-CA 3.28Å; L2037-S2043 WeakPolarHBondContact O-CA 3.18Å; L2037-S2043 PolarHBondContact O-OG 2.67Å; L2037-T2044 PolarHBondContact O-N 3.1Å; L2037-T2044 PolarHBondContact O-OG1 2.85Å; L2037-I2045 HydrophobicContact CD2-CD1 4.31Å; L2037-H2066 PolarHBondContact N-O 3.2Å
2038	S	93.8	Very high	91.3	Very high	13 Å²	13	41.7 Å²	41.7	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155.1	167.9	63.8	0	0	0	0	112.5	V2042 L2065 H2066	S2038-V2042 CarbonylContact C-O 3.59Å; S2038-V2042 WeakPolarHBondContact CA-O 3.23Å; S2038-V2042 WeakPolarHBondContact CB-O 3.39Å; S2038-L2065 WeakPolarHBondContact O-CA 3.29Å; S2038-H2066 PolarHBondContact N-O 3.27Å; S2038-H2066 PolarHBondContact O-N 2.97Å; S2038-H2066 WeakPolarHBondContact OG-CB 3.47Å
2039	V	93.7	Very high	91.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.7	168.6	169.2	0	0	0	0	106.9	I2036 D2041 V2042 T2044 V2052 L2055 I2056 L2063 R2064 L2065	I2036-V2039 HydrophobicContact CG2-CG2 4.13Å; V2039-D2041 PolarHBondContact O-N 2.97Å; V2039-V2042 PolarHBondContact N-O 3.49Å; V2039-V2042 WeakPolarHBondContact O-CB 3.35Å; V2039-V2042 PolarHBondContact O-N 2.99Å; V2039-T2044 HydrophobicContact CB-CG2 4.05Å; V2039-T2044 HydrophobicContact CG2-CG2 3.62Å; V2039-V2052 HydrophobicContact CG2-CG1 4.22Å; V2039-L2055 HydrophobicContact CB-CB 4.19Å; V2039-L2055 HydrophobicContact CB-CD1 4.44Å; V2039-L2055 HydrophobicContact CG1-CB 3.7Å; V2039-I2056 HydrophobicContact CG1-CG1 3.96Å; V2039-I2056 HydrophobicContact CG2-CD1 4.17Å; V2039-I2056 HydrophobicContact CG2-CG1 3.82Å; V2039-L2063 HydrophobicContact CG1-CD1 3.68Å; V2039-R2064 CarbonylContact C-O 3.51Å; V2039-R2064 WeakPolarHBondContact CA-O 3.43Å; V2039-L2065 HydrophobicContact CB-CD2 4.32Å; V2039-L2065 HydrophobicContact CG2-CD2 3.55Å
2040	N	92.2	Very high	91	Very high	55 Å²	55	46 Å²	46	29%	0.294	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	46.3	-175.6	-56.6	-13.1	0	0	0	111.8	V2042 S2059 R2064	N2040-V2042 PolarHBondContact O-N 2.87Å; N2040-S2059 PolarHBondContact ND2-OG 2.94Å; N2040-R2064 PolarHBondContact N-O 2.89Å; N2040-R2064 PolarHBondContact OD1-N 3.1Å
2041	D	89.5	Confident	90.7	Very high	89 Å²	89	48 Å²	48	48%	0.476	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	-4	-178.2	-51.2	-52.2	0	0	0	116.2	V2039 R2064	V2039-D2041 PolarHBondContact O-N 2.97Å; D2041-R2064 IonicContact OD1-NH1 3.8Å; D2041-R2064 WeakPolarHBondContact OD2-CD 3.48Å; D2041-R2064 IonicContact OD2-CZ 2.74Å; D2041-R2064 IonicContact OD2-NE 3.54Å; D2041-R2064 IonicContact OD2-NH1 2.6Å; D2041-R2064 PolarHBondContact OD2-NH1 3.46Å
2042	V	90.7	Very high	90.7	Very high	69 Å²	69	41.2 Å²	41.2	42%	0.418	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.5	167.9	-175.4	0	0	0	0	110	S2038 V2039 N2040 T2044 M2047 L2055	S2038-V2042 CarbonylContact C-O 3.59Å; S2038-V2042 WeakPolarHBondContact CA-O 3.23Å; S2038-V2042 WeakPolarHBondContact CB-O 3.39Å; V2039-V2042 PolarHBondContact N-O 3.49Å; V2039-V2042 WeakPolarHBondContact O-CB 3.35Å; V2039-V2042 PolarHBondContact O-N 2.99Å; N2040-V2042 PolarHBondContact O-N 2.87Å; V2042-T2044 PolarHBondContact O-N 3.12Å; V2042-M2047 HydrophobicContact CG1-SD 4.44Å; V2042-L2055 HydrophobicContact CB-CD1 4.09Å; V2042-L2055 HydrophobicContact CB-CD2 4.32Å; V2042-L2055 HydrophobicContact CG1-CD1 3.91Å; V2042-L2055 HydrophobicContact CG1-CD2 4.45Å; V2042-L2055 HydrophobicContact CG2-CD2 4.22Å
2043	S	92.4	Very high	90.7	Very high	32 Å²	32	39.4 Å²	39.4	22%	0.224	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	129.1	-175.9	-171.4	0	0	0	0	113.6	M1973 L2037 I2045	M1973-S2043 WeakPolarHBondContact CE-OG 3.49Å; L2037-S2043 VanDerWaalsContact O-CA 3.28Å; L2037-S2043 WeakPolarHBondContact O-CA 3.18Å; L2037-S2043 PolarHBondContact O-OG 2.67Å; S2043-I2045 VanDerWaalsContact C-N 3.3Å; S2043-I2045 PolarHBondContact O-N 2.8Å
2044	T	90.9	Very high	90.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.			trans	-89.3	14.5	-178.9	52.8	0	0	0	0	114.1	I2036 L2037 V2039 V2042 V2052	I2036-T2044 VanDerWaalsContact C-OG1 3.28Å; I2036-T2044 HydrophobicContact CG2-CG2 4.24Å; I2036-T2044 PolarHBondContact O-OG1 3.25Å; L2037-T2044 PolarHBondContact O-N 3.1Å; L2037-T2044 PolarHBondContact O-OG1 2.85Å; V2039-T2044 HydrophobicContact CB-CG2 4.05Å; V2039-T2044 HydrophobicContact CG2-CG2 3.62Å; V2042-T2044 PolarHBondContact O-N 3.12Å; T2044-V2052 HydrophobicContact CG2-CB 4.38Å; T2044-V2052 HydrophobicContact CG2-CG1 3.78Å; T2044-V2052 HydrophobicContact CG2-CG2 3.74Å
2045	I	87.9	Confident	90.3	Very high	34 Å²	34	43.9 Å²	43.9	17%	0.174	24%	0.236	C	C	.	.	S	Bend	trans	-86.9	117.8	179.5	-64	176.1	0	0	0	109.1	F1972 M1973 L2037 S2043 M2047	F1972-I2045 HydrophobicContact CB-CD1 4.11Å; F1972-I2045 HydrophobicContact CD1-CD1 3.99Å; F1972-I2045 HydrophobicContact CD2-CD1 4.17Å; F1972-I2045 HydrophobicContact CD2-CG2 3.92Å; F1972-I2045 HydrophobicContact CE1-CD1 4.42Å; F1972-I2045 HydrophobicContact CE2-CG2 4.5Å; F1972-I2045 HydrophobicContact CG-CD1 3.85Å; F1972-I2045 HydrophobicContact CG-CG2 4.43Å; M1973-I2045 HydrophobicContact CE-CD1 4.43Å; L2037-I2045 HydrophobicContact CD2-CD1 4.31Å; S2043-I2045 VanDerWaalsContact C-N 3.3Å; S2043-I2045 PolarHBondContact O-N 2.8Å; I2045-M2047 VanDerWaalsContact C-N 3.31Å; I2045-M2047 PolarHBondContact O-N 2.85Å
2046	G	87.3	Confident	90.2	Very high	35 Å²	35	44.4 Å²	44.4	36%	0.361	24%	0.239	S	C	.	.	S	Bend	trans	89	-19.1	-178.7	0	0	0	0	0	114.9	L2012	L2012-G2046 WeakPolarHBondContact O-CA 3.06Å; L2012-G2046 PolarHBondContact O-N 2.99Å
2047	M	87.7	Confident	89.8	Confident	45 Å²	45	49.4 Å²	49.4	22%	0.222	27%	0.265	C	S	.	.			trans	-61.4	150.4	176.4	-59.6	-170	82.7	0	0	112.4	L2012 V2042 I2045 D2051 V2052 L2055	L2012-M2047 WeakPolarHBondContact CB-O 3.3Å; V2042-M2047 HydrophobicContact CG1-SD 4.44Å; I2045-M2047 VanDerWaalsContact C-N 3.31Å; I2045-M2047 PolarHBondContact O-N 2.85Å; M2047-D2051 HydrophobicContact CB-CB 4.46Å; M2047-D2051 HydrophobicContact CE-CB 3.69Å; M2047-V2052 HydrophobicContact CB-CG2 3.73Å; M2047-V2052 HydrophobicContact CG-CG2 4.49Å; M2047-V2052 HydrophobicContact SD-CG2 4.14Å; M2047-L2055 HydrophobicContact CE-CD1 3.71Å; M2047-L2055 HydrophobicContact SD-CD1 3.76Å
2048	Y	86.8	Confident	89.3	Confident	120 Å²	120	53.8 Å²	53.8	47%	0.471	28%	0.284	S	S	.	.			trans	-74	161.8	171.7	-62.2	-88.8	0	0	0	111	L2012 T2050 D2051 V2052	L2012-Y2048 HydrophobicContact CD1-CD1 3.8Å; L2012-Y2048 HydrophobicContact CD1-CE1 4.28Å; L2012-Y2048 HydrophobicContact CD1-CG 4.42Å; Y2048-T2050 VanDerWaalsContact C-N 3.29Å; Y2048-T2050 PolarHBondContact O-N 3.29Å; Y2048-D2051 WeakPolarHBondContact CA-OD2 3.49Å; Y2048-D2051 VanDerWaalsContact CB-OD2 3.3Å; Y2048-D2051 WeakPolarHBondContact CB-OD2 3.39Å; Y2048-D2051 PolarHBondContact N-OD2 3.3Å; Y2048-D2051 PolarHBondContact O-N 2.68Å; Y2048-D2051 VanDerWaalsContact O-N 3.15Å; Y2048-V2052 PolarHBondContact O-N 3.33Å
2049	H	88.1	Confident	88.7	Confident	77 Å²	77	53.7 Å²	53.7	36%	0.356	28%	0.284	S	S	.	.	H	α-helix	trans	-64.8	-36.2	-175.6	-165.7	44.9	0	0	0	112.4	F1997 A1999 H2014 D2051 V2053	F1997-H2049 AromaticContact CD2-CE1 3.77Å; F1997-H2049 AromaticContact CE2-CE1 3.41Å; F1997-H2049 VanDerWaalsContact CE2-CE1 3.41Å; F1997-H2049 WeakPolarHBondContact CE2-CE1 3.22Å; F1997-H2049 AromaticContact CE2-ND1 3.71Å; F1997-H2049 AromaticContact CZ-CE1 3.93Å; A1999-H2049 HydrophobicContact CB-CB 4.2Å; H2014-H2049 AromaticContact CD2-ND1 3.38Å; H2014-H2049 PolarHBondContact CD2-ND1 2.72Å; H2014-H2049 WeakPolarHBondContact NE2-CA 3.42Å; H2014-H2049 AromaticContact NE2-CG 3.85Å; H2014-H2049 AromaticContact NE2-ND1 3.09Å; H2014-H2049 PolarHBondContact NE2-ND1 3.33Å; H2049-D2051 VanDerWaalsContact C-N 3.27Å; H2049-D2051 PolarHBondContact O-N 2.96Å; H2049-V2053 WeakPolarHBondContact O-CB 3.49Å; H2049-V2053 VanDerWaalsContact O-CG2 3.27Å; H2049-V2053 WeakPolarHBondContact O-CG2 3.46Å; H2049-V2053 PolarHBondContact O-N 3.38Å
2050	T	86.2	Confident	88.2	Confident	85 Å²	85	55.7 Å²	55.7	52%	0.521	30%	0.304	S	S	.	.	H	α-helix	trans	-53	-41.6	171.3	38.9	0	0	0	0	113.1	Y2048 V2053 K2054	Y2048-T2050 VanDerWaalsContact C-N 3.29Å; Y2048-T2050 PolarHBondContact O-N 3.29Å; T2050-V2053 PolarHBondContact O-N 2.77Å; T2050-K2054 PolarHBondContact O-N 2.84Å
2051	D	89	Confident	87.8	Confident	46 Å²	46	58.1 Å²	58.1	25%	0.246	32%	0.321	C	S	.	.	H	α-helix	trans	-80.8	-39	-168.2	-35.4	-24.2	0	0	0	109.8	M2047 Y2048 H2049 V2053 K2054 L2055	M2047-D2051 HydrophobicContact CB-CB 4.46Å; M2047-D2051 HydrophobicContact CE-CB 3.69Å; Y2048-D2051 WeakPolarHBondContact CA-OD2 3.49Å; Y2048-D2051 VanDerWaalsContact CB-OD2 3.3Å; Y2048-D2051 WeakPolarHBondContact CB-OD2 3.39Å; Y2048-D2051 PolarHBondContact N-OD2 3.3Å; Y2048-D2051 PolarHBondContact O-N 2.68Å; Y2048-D2051 VanDerWaalsContact O-N 3.15Å; H2049-D2051 VanDerWaalsContact C-N 3.27Å; H2049-D2051 PolarHBondContact O-N 2.96Å; D2051-V2053 VanDerWaalsContact C-N 3.31Å; D2051-K2054 WeakPolarHBondContact O-CB 3.46Å; D2051-K2054 PolarHBondContact O-N 3.15Å; D2051-L2055 WeakPolarHBondContact O-CG 3.13Å; D2051-L2055 PolarHBondContact O-N 3.04Å
2052	V	91.5	Very high	87.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-67.6	-33.3	171.9	-179	0	0	0	0	111	F1997 H2014 V2039 T2044 M2047 Y2048 I2056	F1997-V2052 HydrophobicContact CE2-CB 4.44Å; F1997-V2052 HydrophobicContact CE2-CG1 3.82Å; F1997-V2052 HydrophobicContact CZ-CG1 4.24Å; H2014-V2052 VanDerWaalsContact CE1-CG2 3.44Å; H2014-V2052 WeakPolarHBondContact CE1-CG2 3.42Å; V2039-V2052 HydrophobicContact CG2-CG1 4.22Å; T2044-V2052 HydrophobicContact CG2-CB 4.38Å; T2044-V2052 HydrophobicContact CG2-CG1 3.78Å; T2044-V2052 HydrophobicContact CG2-CG2 3.74Å; M2047-V2052 HydrophobicContact CB-CG2 3.73Å; M2047-V2052 HydrophobicContact CG-CG2 4.49Å; M2047-V2052 HydrophobicContact SD-CG2 4.14Å; Y2048-V2052 PolarHBondContact O-N 3.33Å; V2052-I2056 HydrophobicContact CG1-CD1 4.03Å; V2052-I2056 WeakPolarHBondContact O-CB 3.2Å; V2052-I2056 WeakPolarHBondContact O-CD1 3.39Å; V2052-I2056 VanDerWaalsContact O-CG1 3.26Å; V2052-I2056 WeakPolarHBondContact O-CG1 3.38Å; V2052-I2056 PolarHBondContact O-N 2.82Å
2053	V	89.7	Confident	87.9	Confident	48 Å²	48	53.5 Å²	53.5	29%	0.291	30%	0.296	S	S	.	.	H	α-helix	trans	-66.7	-43.3	168.3	169.8	0	0	0	0	111.5	F1997 H2049 T2050 D2051 L2055 I2056 L2057	F1997-V2053 HydrophobicContact CE1-CG2 4.47Å; F1997-V2053 HydrophobicContact CZ-CG2 3.72Å; H2049-V2053 WeakPolarHBondContact O-CB 3.49Å; H2049-V2053 VanDerWaalsContact O-CG2 3.27Å; H2049-V2053 WeakPolarHBondContact O-CG2 3.46Å; H2049-V2053 PolarHBondContact O-N 3.38Å; T2050-V2053 PolarHBondContact O-N 2.77Å; D2051-V2053 VanDerWaalsContact C-N 3.31Å; V2053-L2055 PolarHBondContact O-N 3.39Å; V2053-I2056 PolarHBondContact O-N 2.76Å; V2053-L2057 HydrophobicContact CG1-CD1 3.82Å; V2053-L2057 HydrophobicContact CG1-CG 4.31Å; V2053-L2057 WeakPolarHBondContact O-CB 3.36Å; V2053-L2057 VanDerWaalsContact O-CG 3.3Å; V2053-L2057 WeakPolarHBondContact O-CG 3.4Å; V2053-L2057 PolarHBondContact O-N 3.3Å
2054	K	85.5	Confident	88	Confident	114 Å²	114	57 Å²	57	50%	0.496	31%	0.305	S	S	.	.	H	α-helix	trans	-56.7	-49.7	173.9	-81.9	-175.6	173.9	-178.1	0	110.8	T2050 D2051 I2056 L2057 Q2058	T2050-K2054 PolarHBondContact O-N 2.84Å; D2051-K2054 WeakPolarHBondContact O-CB 3.46Å; D2051-K2054 PolarHBondContact O-N 3.15Å; K2054-I2056 PolarHBondContact O-N 2.76Å; K2054-L2057 PolarHBondContact O-N 2.9Å; K2054-Q2058 WeakPolarHBondContact O-CB 3.21Å; K2054-Q2058 VanDerWaalsContact O-CG 3.31Å; K2054-Q2058 WeakPolarHBondContact O-CG 3.47Å; K2054-Q2058 PolarHBondContact O-N 3.41Å; K2054-Q2058 PolarHBondContact O-OE1 3.2Å
2055	L	91.1	Very high	88.1	Confident	26 Å²	26	57 Å²	57	14%	0.136	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-44	176.7	-74.2	171.6	0	0	0	113.2	V2039 V2042 M2047 D2051 V2053 L2057 Q2058 S2059	V2039-L2055 HydrophobicContact CB-CB 4.19Å; V2039-L2055 HydrophobicContact CB-CD1 4.44Å; V2039-L2055 HydrophobicContact CG1-CB 3.7Å; V2042-L2055 HydrophobicContact CB-CD1 4.09Å; V2042-L2055 HydrophobicContact CB-CD2 4.32Å; V2042-L2055 HydrophobicContact CG1-CD1 3.91Å; V2042-L2055 HydrophobicContact CG1-CD2 4.45Å; V2042-L2055 HydrophobicContact CG2-CD2 4.22Å; M2047-L2055 HydrophobicContact CE-CD1 3.71Å; M2047-L2055 HydrophobicContact SD-CD1 3.76Å; D2051-L2055 WeakPolarHBondContact O-CG 3.13Å; D2051-L2055 PolarHBondContact O-N 3.04Å; V2053-L2055 PolarHBondContact O-N 3.39Å; L2055-L2057 VanDerWaalsContact C-N 3.34Å; L2055-L2057 PolarHBondContact O-N 3.07Å; L2055-Q2058 PolarHBondContact O-N 2.86Å; L2055-S2059 PolarHBondContact O-N 3.49Å; L2055-S2059 PolarHBondContact O-OG 3.31Å
2056	I	92.2	Very high	88.4	Confident	14 Å²	14	57.4 Å²	57.4	7%	0.072	31%	0.306	C	S	.	.	H	α-helix	trans	-66.7	-36	178.3	-71.3	167.5	0	0	0	111.3	F1993 F1995 F1997 V2039 V2052 V2053 K2054 S2059 L2063	F1993-I2056 HydrophobicContact CD2-CG2 4.03Å; F1993-I2056 HydrophobicContact CE2-CG2 4.06Å; F1995-I2056 HydrophobicContact CZ-CD1 4.29Å; F1997-I2056 HydrophobicContact CD1-CD1 4.38Å; F1997-I2056 HydrophobicContact CE1-CD1 3.59Å; F1997-I2056 HydrophobicContact CE2-CD1 4.21Å; F1997-I2056 HydrophobicContact CZ-CD1 3.5Å; F1997-I2056 VanDerWaalsContact CZ-CD1 3.5Å; V2039-I2056 HydrophobicContact CG1-CG1 3.96Å; V2039-I2056 HydrophobicContact CG2-CD1 4.17Å; V2039-I2056 HydrophobicContact CG2-CG1 3.82Å; V2052-I2056 HydrophobicContact CG1-CD1 4.03Å; V2052-I2056 WeakPolarHBondContact O-CB 3.2Å; V2052-I2056 WeakPolarHBondContact O-CD1 3.39Å; V2052-I2056 VanDerWaalsContact O-CG1 3.26Å; V2052-I2056 WeakPolarHBondContact O-CG1 3.38Å; V2052-I2056 PolarHBondContact O-N 2.82Å; V2053-I2056 PolarHBondContact O-N 2.76Å; K2054-I2056 PolarHBondContact O-N 2.76Å; I2056-S2059 VanDerWaalsContact O-CB 3.24Å; I2056-S2059 WeakPolarHBondContact O-CB 3.45Å; I2056-S2059 PolarHBondContact O-N 2.94Å; I2056-S2059 PolarHBondContact O-OG 2.97Å; I2056-L2063 HydrophobicContact CB-CD1 4.41Å; I2056-L2063 HydrophobicContact CG1-CD1 3.93Å; I2056-L2063 HydrophobicContact CG1-CD2 4.48Å; I2056-L2063 HydrophobicContact CG2-CD1 4.44Å; I2056-L2063 HydrophobicContact CG2-CD2 4.18Å
2057	L	84.9	Confident	88.6	Confident	104 Å²	104	55.9 Å²	55.9	55%	0.545	29%	0.29	S	S	.	.	H	α-helix	trans	-72.4	-38.4	175.4	-69.1	173.3	0	0	0	112.3	V2053 K2054 L2055 S2059	V2053-L2057 HydrophobicContact CG1-CD1 3.82Å; V2053-L2057 HydrophobicContact CG1-CG 4.31Å; V2053-L2057 WeakPolarHBondContact O-CB 3.36Å; V2053-L2057 VanDerWaalsContact O-CG 3.3Å; V2053-L2057 WeakPolarHBondContact O-CG 3.4Å; V2053-L2057 PolarHBondContact O-N 3.3Å; K2054-L2057 PolarHBondContact O-N 2.9Å; L2055-L2057 VanDerWaalsContact C-N 3.34Å; L2055-L2057 PolarHBondContact O-N 3.07Å; L2057-S2059 PolarHBondContact O-N 3.21Å; L2057-S2059 VanDerWaalsContact O-N 3.16Å
2058	Q	84.5	Confident	88.9	Confident	123 Å²	123	54.6 Å²	54.6	58%	0.575	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-9.1	173.3	-74.2	170.7	-37.7	0	0	113.5	K2054 L2055 G2060	K2054-Q2058 WeakPolarHBondContact O-CB 3.21Å; K2054-Q2058 VanDerWaalsContact O-CG 3.31Å; K2054-Q2058 WeakPolarHBondContact O-CG 3.47Å; K2054-Q2058 PolarHBondContact O-N 3.41Å; K2054-Q2058 PolarHBondContact O-OE1 3.2Å; L2055-Q2058 PolarHBondContact O-N 2.86Å; Q2058-G2060 PolarHBondContact O-N 3.47Å
2059	S	81.7	Confident	89	Confident	12 Å²	12	49.9 Å²	49.9	8%	0.084	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-1.7	178.2	-56	0	0	0	0	114.6	N2040 L2055 I2056 L2057 T2061 T2062 L2063	N2040-S2059 PolarHBondContact ND2-OG 2.94Å; L2055-S2059 PolarHBondContact O-N 3.49Å; L2055-S2059 PolarHBondContact O-OG 3.31Å; I2056-S2059 VanDerWaalsContact O-CB 3.24Å; I2056-S2059 WeakPolarHBondContact O-CB 3.45Å; I2056-S2059 PolarHBondContact O-N 2.94Å; I2056-S2059 PolarHBondContact O-OG 2.97Å; L2057-S2059 PolarHBondContact O-N 3.21Å; L2057-S2059 VanDerWaalsContact O-N 3.16Å; S2059-T2061 PolarHBondContact O-N 3.47Å; S2059-T2061 VanDerWaalsContact O-N 3.11Å; S2059-T2062 CarbonylContact O-C 3.46Å; S2059-T2062 PolarHBondContact O-N 3.09Å; S2059-T2062 VanDerWaalsContact O-O 3.14Å; S2059-L2063 VanDerWaalsContact OG-CD1 3.24Å; S2059-L2063 WeakPolarHBondContact OG-CD1 3.38Å
2060	G	81.5	Confident	89	Confident	41 Å²	41	48.1 Å²	48.1	42%	0.423	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	-115.7	176.4	0	0	0	0	0	112.6	K1988 Q2058	K1988-G2060 VanDerWaalsContact CD-O 3.25Å; K1988-G2060 WeakPolarHBondContact CD-O 3.49Å; Q2058-G2060 PolarHBondContact O-N 3.47Å
2061	T	85.5	Confident	88.7	Confident	106 Å²	106	49.2 Å²	49.2	65%	0.65	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-16.2	177.9	52.1	0	0	0	0	114.4	N1987 K1988 S2059	N1987-T2061 CarbonylContact C-O 3.47Å; N1987-T2061 WeakPolarHBondContact CA-O 3.23Å; K1988-T2061 WeakPolarHBondContact CB-O 2.89Å; K1988-T2061 PolarHBondContact N-O 3.33Å; S2059-T2061 PolarHBondContact O-N 3.47Å; S2059-T2061 VanDerWaalsContact O-N 3.11Å
2062	T	87.5	Confident	88.3	Confident	61 Å²	61	52.9 Å²	52.9	37%	0.374	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	107.8	-165.6	-61.8	0	0	0	0	111	I1985 N1987 S2059	I1985-T2062 HydrophobicContact CG2-CG2 3.58Å; N1987-T2062 WeakPolarHBondContact OD1-CG2 3.32Å; N1987-T2062 PolarHBondContact OD1-OG1 3.47Å; S2059-T2062 CarbonylContact O-C 3.46Å; S2059-T2062 PolarHBondContact O-N 3.09Å; S2059-T2062 VanDerWaalsContact O-O 3.14Å
2063	L	94.6	Very high	88.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.4	-178.1	170.7	68.1	0	0	0	110.7	I1985 I1986 F1993 F1995 V2039 I2056 S2059 L2065	I1985-L2063 CarbonylContact C-O 3.53Å; I1985-L2063 WeakPolarHBondContact CA-O 3.44Å; I1986-L2063 HydrophobicContact CB-CB 4.39Å; I1986-L2063 HydrophobicContact CD1-CD2 4.28Å; I1986-L2063 PolarHBondContact N-O 3.4Å; I1986-L2063 PolarHBondContact O-N 2.66Å; F1993-L2063 HydrophobicContact CB-CD2 4.33Å; F1993-L2063 HydrophobicContact CD1-CB 3.79Å; F1993-L2063 HydrophobicContact CD1-CD2 4.2Å; F1993-L2063 HydrophobicContact CD2-CB 4.47Å; F1993-L2063 HydrophobicContact CD2-CD2 3.96Å; F1993-L2063 HydrophobicContact CE1-CB 3.47Å; F1993-L2063 VanDerWaalsContact CE1-CB 3.47Å; F1993-L2063 HydrophobicContact CE2-CB 4.2Å; F1993-L2063 HydrophobicContact CE2-CD2 4.33Å; F1993-L2063 HydrophobicContact CG-CB 4.3Å; F1993-L2063 HydrophobicContact CG-CD2 3.91Å; F1993-L2063 HydrophobicContact CZ-CB 3.71Å; F1995-L2063 HydrophobicContact CE1-CD2 3.63Å; F1995-L2063 HydrophobicContact CZ-CD2 3.84Å; V2039-L2063 HydrophobicContact CG1-CD1 3.68Å; I2056-L2063 HydrophobicContact CB-CD1 4.41Å; I2056-L2063 HydrophobicContact CG1-CD1 3.93Å; I2056-L2063 HydrophobicContact CG1-CD2 4.48Å; I2056-L2063 HydrophobicContact CG2-CD1 4.44Å; I2056-L2063 HydrophobicContact CG2-CD2 4.18Å; S2059-L2063 VanDerWaalsContact OG-CD1 3.24Å; S2059-L2063 WeakPolarHBondContact OG-CD1 3.38Å; L2063-L2065 HydrophobicContact CD1-CD2 3.78Å; L2063-L2065 HydrophobicContact CD1-CG 4.43Å; L2063-L2065 HydrophobicContact CD2-CD1 4.23Å; L2063-L2065 HydrophobicContact CD2-CD2 4.05Å; L2063-L2065 HydrophobicContact CD2-CG 4.11Å; L2063-L2065 HydrophobicContact CG-CD2 3.87Å; L2063-L2065 HydrophobicContact CG-CG 3.99Å
2064	R	93.3	Very high	87.4	Confident	107 Å²	107	62.1 Å²	62.1	40%	0.404	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.8	177.4	-170.2	-176.3	-152.3	-165.7	8.5	110.3	A1983 I1985 V2039 N2040 D2041	A1983-R2064 HydrophobicContact CB-CG 3.77Å; I1985-R2064 HydrophobicContact CG1-CG 4.34Å; V2039-R2064 CarbonylContact C-O 3.51Å; V2039-R2064 WeakPolarHBondContact CA-O 3.43Å; N2040-R2064 PolarHBondContact N-O 2.89Å; N2040-R2064 PolarHBondContact OD1-N 3.1Å; D2041-R2064 IonicContact OD1-NH1 3.8Å; D2041-R2064 WeakPolarHBondContact OD2-CD 3.48Å; D2041-R2064 IonicContact OD2-CZ 2.74Å; D2041-R2064 IonicContact OD2-NE 3.54Å; D2041-R2064 IonicContact OD2-NH1 2.6Å; D2041-R2064 PolarHBondContact OD2-NH1 3.46Å
2065	L	93.8	Very high	87.2	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.6	178.8	-58.7	-176.3	0	0	0	111.8	A1983 I1984 I1986 F1995 L2030 I2036 S2038 V2039 L2063	A1983-L2065 CarbonylContact C-O 3.52Å; I1984-L2065 HydrophobicContact CB-CB 4.33Å; I1984-L2065 PolarHBondContact N-O 3.45Å; I1984-L2065 PolarHBondContact O-N 2.89Å; I1986-L2065 HydrophobicContact CD1-CD1 3.72Å; I1986-L2065 HydrophobicContact CD1-CG 4.32Å; F1995-L2065 HydrophobicContact CE1-CD1 4.39Å; F1995-L2065 HydrophobicContact CE2-CD1 4.48Å; F1995-L2065 HydrophobicContact CZ-CD1 3.99Å; L2030-L2065 HydrophobicContact CD1-CD1 4.08Å; L2030-L2065 HydrophobicContact CD2-CD1 4.03Å; I2036-L2065 HydrophobicContact CG2-CD2 4.19Å; S2038-L2065 WeakPolarHBondContact O-CA 3.29Å; V2039-L2065 HydrophobicContact CB-CD2 4.32Å; V2039-L2065 HydrophobicContact CG2-CD2 3.55Å; L2063-L2065 HydrophobicContact CD1-CD2 3.78Å; L2063-L2065 HydrophobicContact CD1-CG 4.43Å; L2063-L2065 HydrophobicContact CD2-CD1 4.23Å; L2063-L2065 HydrophobicContact CD2-CD2 4.05Å; L2063-L2065 HydrophobicContact CD2-CG 4.11Å; L2063-L2065 HydrophobicContact CG-CD2 3.87Å; L2063-L2065 HydrophobicContact CG-CG 3.99Å
2066	H	93.6	Very high	86.2	Confident	42 Å²	42	66 Å²	66	19%	0.194	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	119.8	150.1	-82.3	-84.4	0	0	0	109	R1981 L2037 S2038	R1981-H2066 PolarHBondContact O-CE1 3.09Å; R1981-H2066 PolarHBondContact O-ND1 2.98Å; L2037-H2066 PolarHBondContact N-O 3.2Å; S2038-H2066 PolarHBondContact N-O 3.27Å; S2038-H2066 PolarHBondContact O-N 2.97Å; S2038-H2066 WeakPolarHBondContact OG-CB 3.47Å
2067	A	92.7	Very high	84.7	Confident	3 Å²	3	70.5 Å²	70.5	3%	0.025	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150.4	177.1	0	0	0	0	0	111.9	I1984 L2030 D2034 L2035	I1984-A2067 HydrophobicContact CD1-CB 4.19Å; L2030-A2067 HydrophobicContact CD1-CB 3.81Å; D2034-A2067 HydrophobicContact CB-CB 4.07Å; L2035-A2067 CarbonylContact O-C 3.58Å; L2035-A2067 WeakPolarHBondContact O-CA 3.46Å
2068	T	92.1	Very high	82.8	Confident	18 Å²	18	72.4 Å²	72.4	11%	0.11	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	131.4	179.6	-65.2	0	0	0	0	109.4	R1981 L2035 I2070 Q2072 T2073	R1981-T2068 WeakPolarHBondContact CD-OG1 3.49Å; L2035-T2068 WeakPolarHBondContact CB-O 3.45Å; L2035-T2068 PolarHBondContact N-O 2.92Å; L2035-T2068 PolarHBondContact O-N 2.93Å; T2068-I2070 PolarHBondContact O-N 3.21Å; T2068-Q2072 HydrophobicContact CG2-CB 3.94Å; T2068-T2073 HydrophobicContact CG2-CG2 4.26Å
2069	P	90.3	Very high	80.9	Confident	21 Å²	21	69 Å²	69	14%	0.136	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.1	134.5	178.7	-26.9	30.5	0	0	0	111.3	D2034 S2071 Q2072 T2073	D2034-P2069 VanDerWaalsContact OD1-CA 3.23Å; D2034-P2069 WeakPolarHBondContact OD1-CA 3.41Å; D2034-P2069 WeakPolarHBondContact OD1-CD 3.34Å; D2034-P2069 WeakPolarHBondContact OD1-CG 3.46Å; D2034-P2069 VanDerWaalsContact OD1-N 3.09Å; P2069-S2071 PolarHBondContact O-N 2.81Å; P2069-S2071 VanDerWaalsContact O-N 3.1Å; P2069-Q2072 HydrophobicContact CB-CB 4.34Å; P2069-Q2072 HydrophobicContact CB-CG 4.18Å; P2069-Q2072 HydrophobicContact CG-CG 4.32Å; P2069-Q2072 WeakPolarHBondContact O-CA 3.26Å; P2069-Q2072 WeakPolarHBondContact O-CB 3.39Å; P2069-Q2072 PolarHBondContact O-N 3.29Å; P2069-T2073 PolarHBondContact O-N 2.9Å
2070	I	87.1	Confident	78.7	Confident	40 Å²	40	71.7 Å²	71.7	21%	0.205	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-56.1	-32.8	178.4	-166.4	173	0	0	0	111.4	I2000 L2015 A2033 T2068 Q2072 T2073 I2075	I2000-I2070 HydrophobicContact CD1-CD1 4.23Å; L2015-I2070 HydrophobicContact CD1-CB 3.93Å; L2015-I2070 HydrophobicContact CD1-CD1 4.04Å; L2015-I2070 HydrophobicContact CD1-CG1 4.45Å; L2015-I2070 HydrophobicContact CD1-CG2 4.32Å; A2033-I2070 HydrophobicContact CB-CG2 3.94Å; A2033-I2070 WeakPolarHBondContact O-CB 3.46Å; A2033-I2070 WeakPolarHBondContact O-CG2 3.2Å; A2033-I2070 PolarHBondContact O-N 3.21Å; T2068-I2070 PolarHBondContact O-N 3.21Å; I2070-Q2072 PolarHBondContact O-N 3.3Å; I2070-T2073 PolarHBondContact O-N 3.07Å; I2070-T2073 PolarHBondContact O-OG1 2.98Å; I2070-I2075 HydrophobicContact CD1-CG2 4.34Å; I2070-I2075 HydrophobicContact CG1-CB 4.35Å
2071	S	80.9	Confident	76.4	Confident	108 Å²	108	77.3 Å²	77.3	76%	0.755	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-65.9	-14.5	173.4	56.6	0	0	0	0	115.5	P2069	P2069-S2071 PolarHBondContact O-N 2.81Å; P2069-S2071 VanDerWaalsContact O-N 3.1Å
2072	Q	81.2	Confident	73.9	Confident	122 Å²	122	79.8 Å²	79.8	57%	0.57	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-101.5	0	171.2	-66.8	-171.9	-16.7	0	0	112.7	T2068 P2069 I2070	T2068-Q2072 HydrophobicContact CG2-CB 3.94Å; P2069-Q2072 HydrophobicContact CB-CB 4.34Å; P2069-Q2072 HydrophobicContact CB-CG 4.18Å; P2069-Q2072 HydrophobicContact CG-CG 4.32Å; P2069-Q2072 WeakPolarHBondContact O-CA 3.26Å; P2069-Q2072 WeakPolarHBondContact O-CB 3.39Å; P2069-Q2072 PolarHBondContact O-N 3.29Å; I2070-Q2072 PolarHBondContact O-N 3.3Å
2073	T	85.4	Confident	71.2	Confident	36 Å²	36	79.6 Å²	79.6	22%	0.221	41%	0.407	C	S	.	.	S	Bend	trans	-94.8	167.5	172.3	76.2	0	0	0	0	111.4	L2035 T2068 P2069 I2070 I2075	L2035-T2073 HydrophobicContact CD2-CG2 4.22Å; T2068-T2073 HydrophobicContact CG2-CG2 4.26Å; P2069-T2073 PolarHBondContact O-N 2.9Å; I2070-T2073 PolarHBondContact O-N 3.07Å; I2070-T2073 PolarHBondContact O-OG1 2.98Å; T2073-I2075 PolarHBondContact O-N 3.19Å; T2073-I2075 WeakPolarHBondContact OG1-CB 3.05Å; T2073-I2075 PolarHBondContact OG1-N 2.67Å
2074	F	76.8	Confident	68.3	Low	207 Å²	207	83.7 Å²	83.7	91%	0.908	44%	0.435	S	S	*	.	S	Bend	trans	-79.1	-1	170.8	-65	-79	0	0	0	113.5
2075	I	80.2	Confident	65.1	Low	44 Å²	44	80.9 Å²	80.9	23%	0.226	44%	0.44	C	S	.	.			trans	-72.6	130.1	176	-52.3	171.4	0	0	0	108.4	V2002 L2035 I2070 T2073	V2002-I2075 HydrophobicContact CG1-CD1 4.1Å; V2002-I2075 HydrophobicContact CG1-CG1 4.04Å; V2002-I2075 HydrophobicContact CG1-CG2 4.4Å; V2002-I2075 HydrophobicContact CG2-CD1 3.91Å; L2035-I2075 HydrophobicContact CD1-CD1 4.43Å; L2035-I2075 HydrophobicContact CD2-CD1 3.62Å; I2070-I2075 HydrophobicContact CD1-CG2 4.34Å; I2070-I2075 HydrophobicContact CG1-CB 4.35Å; T2073-I2075 PolarHBondContact O-N 3.19Å; T2073-I2075 WeakPolarHBondContact OG1-CB 3.05Å; T2073-I2075 PolarHBondContact OG1-N 2.67Å
2076	R	69.3	Low	62	Low	178 Å²	178	92 Å²	92	67%	0.672	48%	0.482	S	S	*	.			trans	-109	137.1	177.2	-65.2	-178.5	177	173.7	0.2	109.8
2077	S	62.3	Low	58.9	Low	107 Å²	107	98.1 Å²	98.1	75%	0.748	52%	0.515	S	S	*	.	S	Bend	trans	-69.5	-23.8	172.1	45.1	0	0	0	0	113	G2079	S2077-G2079 PolarHBondContact O-N 2.78Å
2078	D	44.5	Very low	55.7	Low	145 Å²	145	104.6 Å²	104.6	78%	0.775	55%	0.554	S	S	*	*	S	Bend	trans	-102.6	68.5	-160.3	-56.9	-2.2	0	0	0	111.7
2079	G	45.3	Very low	52.7	Low	51 Å²	51	109 Å²	109	53%	0.526	58%	0.583	S	S	.	*			trans	85.2	168.4	171.2	0	0	0	0	0	116.1	S2077	S2077-G2079 PolarHBondContact O-N 2.78Å
2080	P	34.6	Very low	49.7	Very low	69 Å²	69	119.9 Å²	119.9	45%	0.448	62%	0.621	S	S	.	*			cis	-92.7	125.4	19.1	35.2	-36.5	0	0	0	114.9	L2006 R2082	L2006-P2080 HydrophobicContact CB-CG 4.4Å; L2006-P2080 HydrophobicContact CD2-CB 4.24Å; L2006-P2080 HydrophobicContact CD2-CG 3.73Å; P2080-R2082 PolarHBondContact O-N 3.36Å
2081	Y	34.1	Very low	46.8	Very low	158 Å²	158	124 Å²	124	62%	0.62	65%	0.648	S	S	*	*			trans	-67.1	119.2	151.3	-170.1	-101.5	0	0	0	107.7
2082	R	32.2	Very low	44.3	Very low	159 Å²	159	124.7 Å²	124.7	60%	0.6	65%	0.648	S	S	*	*			trans	-114.3	78	170.2	-92.5	-166.6	169	-112.7	-10	111.2	P2080 S2084	P2080-R2082 PolarHBondContact O-N 3.36Å; R2082-S2084 PolarHBondContact O-N 3.15Å
2083	S	30.6	Very low	41.8	Very low	57 Å²	57	123.7 Å²	123.7	40%	0.399	65%	0.654	S	S	.	*			trans	-55.2	116.6	143.7	43.7	0	0	0	0	108.5	G2085	S2083-G2085 VanDerWaalsContact C-CA 3.41Å; S2083-G2085 WeakPolarHBondContact O-CA 3.16Å
2084	S	34.4	Very low	39.2	Very low	85 Å²	85	125.9 Å²	125.9	59%	0.594	68%	0.676	S	S	*	*	S	Bend	trans	-109.9	78.9	176.4	42.9	0	0	0	0	109.9	R2082	R2082-S2084 PolarHBondContact O-N 3.15Å
2085	G	25.4	Very low	37	Very low	49 Å²	49	122.3 Å²	122.3	51%	0.505	66%	0.662	S	S	.	*			cis	152.3	-146.7	-3.4	0	0	0	0	0	113.4	S2083	S2083-G2085 VanDerWaalsContact C-CA 3.41Å; S2083-G2085 WeakPolarHBondContact O-CA 3.16Å
2086	R	29.7	Very low	34.6	Very low	233 Å²	233	125 Å²	125	88%	0.879	68%	0.676	S	S	*	*			trans	-133.3	140.6	160.1	-78.3	-171.3	171.9	-170	-2.3	110.1
2087	L	29	Very low	32.7	Very low	170 Å²	170	122.5 Å²	122.5	89%	0.89	68%	0.675	S	S	*	*			trans	-79.6	149	172	-69.6	167.9	0	0	0	110.3
2088	V	25.3	Very low	31.1	Very low	140 Å²	140	123 Å²	123	85%	0.848	67%	0.67	S	S	*	*			trans	-108.9	113.1	166.3	177.5	0	0	0	0	108.2
2089	P	28.4	Very low	30.3	Very low	109 Å²	109	122 Å²	122	71%	0.708	66%	0.664	S	S	*	*			trans	-67.3	147.2	170.1	-19.6	33.1	0	0	0	111.8
2090	R	27.3	Very low	29.8	Very low	250 Å²	250	127 Å²	127	94%	0.943	68%	0.679	S	S	*	*			trans	-72	144.5	172.7	-89.4	174.5	159.7	159.9	-8.9	111.9
2091	V	26.1	Very low	29.6	Very low	128 Å²	128	129.6 Å²	129.6	78%	0.776	69%	0.689	S	S	*	*			trans	-144.3	151.5	159.6	-130.9	0	0	0	0	104.7
2092	T	28.2	Very low	29.6	Very low	121 Å²	121	127.6 Å²	127.6	74%	0.742	69%	0.689	S	S	*	*			cis	-138.4	175	22.4	62.7	0	0	0	0	111.1
2093	S	28.9	Very low	29.6	Very low	102 Å²	102	125.9 Å²	125.9	71%	0.713	69%	0.692	S	S	*	*			cis	-139.8	159.7	10.5	-52.6	0	0	0	0	110.4
2094	A	29.7	Very low	29.3	Very low	81 Å²	81	129.9 Å²	129.9	67%	0.669	71%	0.709	S	S	*	*			cis	87.2	74	14.7	0	0	0	0	0	117.3
2095	H	31.1	Very low	28.9	Very low	133 Å²	133	133.2 Å²	133.2	62%	0.616	72%	0.72	S	S	*	*			trans	-153.8	164.4	164.9	-99.8	39.4	0	0	0	107.2	Q2323	H2095-Q2323 PolarHBondContact NE2-NE2 3.15Å
2096	L	30.5	Very low	28.9	Very low	101 Å²	101	137 Å²	137	53%	0.529	73%	0.734	S	S	.	*			cis	-134.9	-109.8	0.6	-146.7	172.4	0	0	0	111.1
2097	L	28.5	Very low	28.7	Very low	125 Å²	125	130.9 Å²	130.9	65%	0.654	72%	0.722	S	S	*	*			trans	-147.4	169.7	-173.9	-71.8	167	0	0	0	109.2	P2321	L2097-P2321 HydrophobicContact CD1-CB 4.44Å
2098	N	28.9	Very low	28.5	Very low	118 Å²	118	131.5 Å²	131.5	63%	0.631	71%	0.712	S	S	*	*			cis	-155.1	165.8	23.4	-158.5	19.9	0	0	0	114.7
2099	N	28.6	Very low	28.4	Very low	124 Å²	124	134.7 Å²	134.7	66%	0.663	71%	0.711	S	S	*	*			trans	41.8	110	160.7	-73.3	-3.7	0	0	0	120.8
2100	N	34.9	Very low	28.3	Very low	156 Å²	156	133.8 Å²	133.8	83%	0.834	71%	0.707	S	S	*	*				-155.4	154.9	99.3	-128.5	-21.3	0	0	0	114.2
2101	N	30.5	Very low	28.1	Very low	123 Å²	123	123.7 Å²	123.7	66%	0.658	68%	0.675	S	S	*	*			trans	-61.7	160	-174.2	-69.3	-22.4	0	0	0	115
2102	N	32.7	Very low	28	Very low	115 Å²	115	124.1 Å²	124.1	62%	0.615	67%	0.668	S	S	*	*			cis	-159.1	146.1	-4.3	-114.4	-20.9	0	0	0	112
2103	N	32.4	Very low	27.8	Very low	123 Å²	123	125.6 Å²	125.6	66%	0.658	67%	0.67	S	S	*	*			trans	38.2	124.7	141	-50.1	-20.2	0	0	0	120.5
2104	N	25.6	Very low	27.7	Very low	141 Å²	141	126.1 Å²	126.1	75%	0.754	67%	0.671	S	S	*	*			cis	-151.3	112.2	0.3	-88.8	-31.7	0	0	0	109.4
2105	N	24.5	Very low	27.4	Very low	155 Å²	155	126.7 Å²	126.7	83%	0.829	66%	0.663	S	S	*	*			trans	-156.3	122.4	167.4	-112.1	-30.4	0	0	0	110.5
2106	T	26.3	Very low	27.1	Very low	130 Å²	130	128.5 Å²	128.5	80%	0.798	67%	0.669	S	S	*	*			trans	62.6	153.3	-170.6	82.9	0	0	0	0	114
2107	T	25.5	Very low	26.9	Very low	103 Å²	103	130.9 Å²	130.9	63%	0.632	68%	0.677	S	S	*	*			cis	-122.1	-128.5	7.4	24.9	0	0	0	0	108.7
2108	R	23.4	Very low	26.8	Very low	183 Å²	183	131 Å²	131	69%	0.691	68%	0.683	S	S	*	*			cis	-166.9	162.5	-5.4	-152.8	170.1	-67.1	-176.1	3	109.3
2109	Y	24.3	Very low	26.6	Very low	207 Å²	207	129 Å²	129	81%	0.812	68%	0.677	S	S	*	*			trans	66.8	165.9	167	-61.3	-55.6	0	0	0	116.6
2110	S	26.5	Very low	26.6	Very low	90 Å²	90	130.5 Å²	130.5	63%	0.629	69%	0.691	S	S	*	*			cis	-155.5	-175.6	-12.3	32.5	0	0	0	0	110.5
2111	S	23.6	Very low	26.2	Very low	38 Å²	38	127.7 Å²	127.7	27%	0.266	68%	0.682	S	S	.	*			trans	-77.2	167.6	167.8	67.6	0	0	0	0	113.8	R653	R653-S2111 PolarHBondContact NH1-OG 3.18Å; R653-S2111 VanDerWaalsContact NH2-CB 3.34Å; R653-S2111 PolarHBondContact NH2-OG 3.48Å
2112	Q	23.5	Very low	26.1	Very low	138 Å²	138	127.2 Å²	127.2	65%	0.645	69%	0.687	S	S	*	*			trans	79.4	122.8	-178	-70.5	165.7	-73.8	0	0	111.6
2113	I	23.4	Very low	25.8	Very low	151 Å²	151	128.8 Å²	128.8	77%	0.774	70%	0.695	S	S	*	*				60.6	126.2	80.2	-62.2	172.7	0	0	0	110
2114	P	27.7	Very low	25.9	Very low	113 Å²	113	127.9 Å²	127.9	73%	0.734	70%	0.696	S	S	*	*			cis	-115.6	-172.9	16.8	39.3	-27.5	0	0	0	115.2
2115	D	22	Very low	25.9	Very low	93 Å²	93	128.1 Å²	128.1	50%	0.497	70%	0.697	S	S	.	*			trans	-43.2	168.5	155.5	-61.9	-113.5	0	0	0	116.2	K2546	D2115-K2546 IonicContact OD1-NZ 2.74Å; D2115-K2546 PolarHBondContact OD1-NZ 3.35Å; D2115-K2546 IonicContact OD2-NZ 3.4Å; D2115-K2546 PolarHBondContact OD2-NZ 2.76Å
2116	K	25.1	Very low	26	Very low	172 Å²	172	128.9 Å²	128.9	75%	0.748	70%	0.697	S	S	*	*			trans	-0.7	159.6	137.5	-59.2	178.9	176.8	177.8	0	119.1
2117	H	27.2	Very low	26.4	Very low	151 Å²	151	126.6 Å²	126.6	70%	0.699	69%	0.686	S	S	*	*			trans	81.3	138.4	174.5	-45.7	-75.5	0	0	0	112.7
2118	T	25.8	Very low	26.5	Very low	128 Å²	128	123.3 Å²	123.3	79%	0.785	67%	0.667	S	S	*	*			cis	-129.1	107.9	9.6	-50.1	0	0	0	0	108.2
2119	C	24.7	Very low	26.7	Very low	75 Å²	75	116.8 Å²	116.8	51%	0.507	65%	0.645	S	S	.	*				48.7	109.1	101.8	-46.4	0	0	0	0	114.5	P2121	C2119-P2121 HydrophobicContact CB-CB 4.21Å; C2119-P2121 HydrophobicContact CB-CG 3.83Å
2120	T	29.8	Very low	26.7	Very low	156 Å²	156	109 Å²	109	96%	0.957	62%	0.621	S	S	*	*			trans	-105.5	88.7	134.3	-46.2	0	0	0	0	106
2121	P	25.5	Very low	26.6	Very low	97 Å²	97	109.2 Å²	109.2	63%	0.63	61%	0.614	S	S	*	*			trans	-96.3	137.5	-169.5	36.3	-28.4	0	0	0	110.4	C2119	C2119-P2121 HydrophobicContact CB-CB 4.21Å; C2119-P2121 HydrophobicContact CB-CG 3.83Å
2122	C	29	Very low	27	Very low	113 Å²	113	112.6 Å²	112.6	76%	0.764	64%	0.638	S	S	*	*			trans	-158.2	113.2	164.8	-121.5	0	0	0	0	113.4
2123	N	26.9	Very low	27.3	Very low	148 Å²	148	111.2 Å²	111.2	79%	0.791	64%	0.641	S	S	*	*			trans	71.7	153	139.2	-68.3	-5.9	0	0	0	120.1
2124	P	32.5	Very low	27.4	Very low	104 Å²	104	112.5 Å²	112.5	68%	0.675	64%	0.644	S	S	*	*			trans	-134.1	-154.8	-137.3	35.7	-12.8	0	0	0	113.1
2125	L	25.7	Very low	27.7	Very low	146 Å²	146	114.7 Å²	114.7	76%	0.764	65%	0.648	S	S	*	*			trans	74.7	147.8	173.1	-51.5	163.4	0	0	0	113.1
2126	M	26.7	Very low	27.6	Very low	170 Å²	170	117 Å²	117	84%	0.837	66%	0.658	S	S	*	*			cis	-152.5	146.2	-6.7	-117.4	-82.6	172.6	0	0	108
2127	S	34.9	Very low	27.9	Very low	82 Å²	82	113 Å²	113	57%	0.573	65%	0.652	S	S	*	*			trans	-134.3	142.1	-178	63.3	0	0	0	0	112.9	R629	R629-S2127 PolarHBondContact NE-O 2.91Å; R629-S2127 PolarHBondContact NH2-O 2.8Å
2128	C	29.1	Very low	27.7	Very low	34 Å²	34	114.7 Å²	114.7	23%	0.23	66%	0.658	C	S	.	*			cis	-134.1	-168.6	-1.7	25.6	0	0	0	0	109.5	W630	W630-C2128 HydrophobicContact CD2-CB 4.14Å; W630-C2128 HydrophobicContact CE3-CB 4.15Å; W630-C2128 HydrophobicContact CG-CB 4.49Å
2129	H	26	Very low	27.5	Very low	47 Å²	47	113.4 Å²	113.4	22%	0.218	65%	0.646	C	S	.	*			trans	85.3	130.2	-171.4	-62.7	-30.2	0	0	0	116.9	R627 R628 R629 W630	R627-H2129 HydrophobicContact CG-CB 3.96Å; R627-H2129 PolarHBondContact NE-O 3.35Å; R627-H2129 PolarHBondContact NH2-O 3.04Å; R628-H2129 VanDerWaalsContact C-CB 3.41Å; R628-H2129 WeakPolarHBondContact CA-CD2 3.49Å; R628-H2129 WeakPolarHBondContact CA-CE1 3.48Å; R628-H2129 WeakPolarHBondContact CA-NE2 3.11Å; R628-H2129 VanDerWaalsContact CB-CE1 3.49Å; R628-H2129 WeakPolarHBondContact CB-CE1 3.23Å; R628-H2129 WeakPolarHBondContact CB-NE2 3.23Å; R628-H2129 WeakPolarHBondContact CG-NE2 3.27Å; R628-H2129 WeakPolarHBondContact O-CB 3.47Å; R628-H2129 PolarHBondContact O-CD2 3.13Å; R628-H2129 PolarHBondContact O-CE1 2.93Å; R628-H2129 PolarHBondContact O-ND1 3.02Å; R628-H2129 PolarHBondContact O-NE2 3.31Å; R629-H2129 WeakPolarHBondContact CA-CD2 3.43Å; R629-H2129 WeakPolarHBondContact CA-CE1 3.26Å; R629-H2129 WeakPolarHBondContact CA-NE2 3.23Å; R629-H2129 WeakPolarHBondContact CB-CD2 3.15Å; R629-H2129 WeakPolarHBondContact CB-NE2 3.44Å; R629-H2129 PolarHBondContact N-CD2 2.64Å; R629-H2129 PolarHBondContact N-CE1 3.34Å; R629-H2129 PolarHBondContact N-ND1 2.82Å; R629-H2129 PolarHBondContact N-NE2 2.95Å; R629-H2129 PolarHBondContact O-CE1 3.34Å; R629-H2129 VanDerWaalsContact O-CE1 3.3Å; R629-H2129 PolarHBondContact O-NE2 2.82Å; W630-H2129 AromaticContact CD1-ND1 3.66Å; W630-H2129 PolarHBondContact N-CE1 3.23Å
2130	S	25.4	Very low	27.8	Very low	44 Å²	44	116.9 Å²	116.9	31%	0.308	66%	0.664	S	S	.	*			cis	-171.4	158.3	-0.9	34.9	0	0	0	0	110.9	D626 R628	D626-S2130 WeakPolarHBondContact CB-OG 3.44Å; R628-S2130 WeakPolarHBondContact O-CB 3.5Å
2131	N	24.2	Very low	28	Very low	93 Å²	93	113.8 Å²	113.8	50%	0.497	65%	0.649	S	S	.	*			trans	39.5	101.8	151.7	-55.6	-0.7	0	0	0	117.1	D626	D626-N2131 PolarHBondContact OD1-ND2 3.22Å; D626-N2131 VanDerWaalsContact OD1-ND2 3.12Å; D626-N2131 WeakPolarHBondContact OD2-CB 3.27Å; D626-N2131 PolarHBondContact OD2-ND2 2.68Å
2132	S	32.8	Very low	28.4	Very low	109 Å²	109	113.9 Å²	113.9	76%	0.762	65%	0.652	S	S	*	*				82.5	102.8	88.6	-66.2	0	0	0	0	114.5
2133	P	29.8	Very low	28	Very low	109 Å²	109	115.5 Å²	115.5	71%	0.708	65%	0.652	S	S	*	*			trans	-80.8	123	137.6	32.4	-28.3	0	0	0	110.3
2134	E	25.5	Very low	28.3	Very low	178 Å²	178	112.6 Å²	112.6	83%	0.832	64%	0.642	S	S	*	*				49.5	102.8	119.8	-58.6	173.2	125	0	0	119.6
2135	I	32.2	Very low	27.9	Very low	160 Å²	160	114.5 Å²	114.5	82%	0.821	64%	0.639	S	S	*	*			trans	158.9	107.7	139	-83.9	157.4	0	0	0	103.7
2136	I	20.9	Very low	27.8	Very low	140 Å²	140	114.6 Å²	114.6	72%	0.718	64%	0.641	S	S	*	*			cis	43.9	72.5	24.3	-59.8	-171.3	0	0	0	110.8	K2138	I2136-K2138 PolarHBondContact O-N 3.45Å
2137	S	30.4	Very low	27.9	Very low	88 Å²	88	109.6 Å²	109.6	62%	0.615	63%	0.633	S	S	*	*				29.4	91.3	106.9	-46.9	0	0	0	0	113.9
2138	K	24.4	Very low	27.4	Very low	188 Å²	188	115.6 Å²	115.6	82%	0.817	65%	0.649	S	S	*	*			trans	-120.5	123.6	132.4	-70.2	-174.1	177.9	167.9	0	106.7	I2136	I2136-K2138 PolarHBondContact O-N 3.45Å
2139	D	21.5	Very low	27.4	Very low	100 Å²	100	118.9 Å²	118.9	54%	0.535	67%	0.672	S	S	.	*				62.7	77.2	58.6	-63.6	-57.5	0	0	0	111.4	S2142	D2139-S2142 PolarHBondContact OD1-OG 2.61Å
2140	V	31.4	Very low	27.3	Very low	148 Å²	148	127.2 Å²	127.2	90%	0.897	70%	0.703	S	S	*	*	S	Bend		-120.2	116.9	106.1	-172.6	0	0	0	0	106.4
2141	S	33.1	Very low	27.1	Very low	92 Å²	92	129.3 Å²	129.3	64%	0.643	72%	0.723	S	S	*	*			cis	-162	132.8	-7.9	45.1	0	0	0	0	110.9
2142	S	33.8	Very low	27.2	Very low	98 Å²	98	130.1 Å²	130.1	69%	0.685	74%	0.736	S	S	*	*			trans	-120.2	47	165	60.5	0	0	0	0	112.1	D2139	D2139-S2142 PolarHBondContact OD1-OG 2.61Å
2143	L	21.6	Very low	26.8	Very low	147 Å²	147	130.5 Å²	130.5	77%	0.77	73%	0.734	S	S	*	*			trans	-154.5	150.4	178.4	-80.9	-171.8	0	0	0	111.4
2144	P	32.9	Very low	26.6	Very low	88 Å²	88	130.8 Å²	130.8	57%	0.571	74%	0.737	S	S	*	*			cis	-145.6	-151.2	-47.4	34.9	-12.3	0	0	0	110.8
2145	F	23.8	Very low	26.5	Very low	143 Å²	143	126.5 Å²	126.5	63%	0.627	73%	0.732	S	S	*	*			trans	80	117.9	159.7	-72.8	-61.3	0	0	0	118.4
2146	D	24	Very low	26	Very low	148 Å²	148	123.9 Å²	123.9	79%	0.791	73%	0.728	S	S	*	*			trans	70.7	152.8	136.4	-52.4	-22.9	0	0	0	120.2
2147	G	28.7	Very low	26.2	Very low	65 Å²	65	121.6 Å²	121.6	67%	0.67	72%	0.724	S	S	*	*			trans	89.4	110.9	-158.6	0	0	0	0	0	110.9
2148	K	23.8	Very low	25.9	Very low	209 Å²	209	124.8 Å²	124.8	91%	0.909	73%	0.734	S	S	*	*			cis	63.2	36.9	4.8	-85.3	-164.7	173.3	-172.5	0	116.7
2149	S	28.8	Very low	26	Very low	103 Å²	103	120.3 Å²	120.3	72%	0.72	73%	0.727	S	S	*	*			trans	-141.7	105	146.1	53.9	0	0	0	0	108
2150	Y	23.2	Very low	26.2	Very low	222 Å²	222	125.5 Å²	125.5	87%	0.871	74%	0.739	S	S	*	*				75	120.6	73.8	-90.2	-76.5	0	0	0	114.4
2151	A	23.2	Very low	26.2	Very low	88 Å²	88	125.2 Å²	125.2	73%	0.727	73%	0.727	S	S	*	*			trans	39.2	108.1	143.2	0	0	0	0	0	120.8
2152	S	26.1	Very low	26	Very low	110 Å²	110	125.8 Å²	125.8	77%	0.769	73%	0.727	S	S	*	*				-153.9	126.9	120.2	-168.6	0	0	0	0	106.6
2153	V	23.1	Very low	25.6	Very low	117 Å²	117	124.7 Å²	124.7	71%	0.709	71%	0.714	S	S	*	*			cis	72.5	135.7	47.1	-177.1	0	0	0	0	111.8
2154	C	25.5	Very low	26.3	Very low	115 Å²	115	123.2 Å²	123.2	78%	0.777	70%	0.703	S	S	*	*			trans	64.6	117.7	-165.7	-61.7	0	0	0	0	112.8
2155	A	23.2	Very low	26	Very low	87 Å²	87	121.7 Å²	121.7	72%	0.719	69%	0.692	S	S	*	*			cis	66.3	134.6	24.4	0	0	0	0	0	115.3
2156	S	23.4	Very low	26	Very low	106 Å²	106	117 Å²	117	74%	0.741	68%	0.68	S	S	*	*			trans	65.1	176.3	161.7	80.2	0	0	0	0	117.3
2157	S	24.1	Very low	26.3	Very low	92 Å²	92	115.2 Å²	115.2	64%	0.643	67%	0.665	S	S	*	*			trans	69.1	105.5	170	-48.1	0	0	0	0	113.2
2158	N	23.4	Very low	26.2	Very low	154 Å²	154	118.5 Å²	118.5	82%	0.824	66%	0.657	S	S	*	*				45	112.7	65.4	-47.8	-21.1	0	0	0	109.2
2159	S	26.5	Very low	26.3	Very low	95 Å²	95	112.7 Å²	112.7	66%	0.664	64%	0.635	S	S	*	*				-132.9	150.4	64.6	78.2	0	0	0	0	112.4
2160	R	27.3	Very low	26.3	Very low	208 Å²	208	113.1 Å²	113.1	79%	0.785	63%	0.634	S	S	*	*				55.3	132.6	96.8	-57.5	178.6	-175.1	141.6	-1.3	113.4
2161	H	29.7	Very low	26.5	Very low	142 Å²	142	109 Å²	109	66%	0.657	62%	0.616	S	S	*	*			cis	-161	173.7	10.7	-122.4	-41.1	0	0	0	110.8
2162	T	30	Very low	26.6	Very low	104 Å²	104	114 Å²	114	64%	0.638	62%	0.617	S	S	*	*			trans	52.7	105.6	147.9	54.9	0	0	0	0	117.5
2163	D	26.2	Very low	26.6	Very low	76 Å²	76	115.7 Å²	115.7	41%	0.406	62%	0.616	S	S	.	*				97.5	172.2	70.9	-96.7	-74	0	0	0	111.5
2164	E	35.9	Very low	26.7	Very low	116 Å²	116	115.7 Å²	115.7	54%	0.542	62%	0.616	S	S	.	*			trans	65.5	63	-172.8	-66.7	-88.7	94.7	0	0	112.4	K2167	E2164-K2167 IonicContact OE1-NZ 3.99Å; E2164-K2167 PolarHBondContact OE1-NZ 3.15Å; E2164-K2167 IonicContact OE2-NZ 2.82Å; E2164-K2167 PolarHBondContact OE2-NZ 3.2Å
2165	V	26.5	Very low	26.9	Very low	55 Å²	55	117.2 Å²	117.2	33%	0.333	62%	0.615	S	S	.	*				54.8	93.7	53.8	-170.6	0	0	0	0	113.7	M1042 K2167	M1042-V2165 HydrophobicContact CE-CB 4.28Å; M1042-V2165 HydrophobicContact CE-CG1 3.59Å; M1042-V2165 HydrophobicContact CE-CG2 4.45Å; M1042-V2165 HydrophobicContact CG-CB 4.05Å; M1042-V2165 HydrophobicContact CG-CG1 3.91Å; M1042-V2165 HydrophobicContact SD-CB 3.53Å; M1042-V2165 VanDerWaalsContact SD-CB 3.53Å; M1042-V2165 HydrophobicContact SD-CG1 3.48Å; M1042-V2165 WeakPolarHBondContact SD-CG1 2.99Å; M1042-V2165 HydrophobicContact SD-CG2 3.81Å; V2165-K2167 PolarHBondContact O-NZ 3.14Å
2166	A	24.4	Very low	27.3	Very low	46 Å²	46	122.6 Å²	122.6	38%	0.38	62%	0.617	S	S	.	*			trans	48.4	91.5	131.2	0	0	0	0	0	117.9	C1041 R2168	C1041-A2166 PolarHBondContact SG-O 3.33Å; A2166-R2168 HydrophobicContact CB-CG 3.87Å; A2166-R2168 VanDerWaalsContact CB-CZ 3.44Å; A2166-R2168 WeakPolarHBondContact O-CD 3.33Å
2167	K	29.9	Very low	27.6	Very low	110 Å²	110	125 Å²	125	48%	0.478	62%	0.616	S	S	.	*			trans	-113.7	93	151.4	-70	86.5	-163	166.1	0	104.9	E2164 V2165	E2164-K2167 IonicContact OE1-NZ 3.99Å; E2164-K2167 PolarHBondContact OE1-NZ 3.15Å; E2164-K2167 IonicContact OE2-NZ 2.82Å; E2164-K2167 PolarHBondContact OE2-NZ 3.2Å; V2165-K2167 PolarHBondContact O-NZ 3.14Å
2168	R	26.3	Very low	27.7	Very low	134 Å²	134	125 Å²	125	51%	0.506	62%	0.622	S	S	.	*			cis	55.3	125.3	42	-66.7	178.9	-178.6	148.2	-2	111.1	C1041 A2166	C1041-R2168 PolarHBondContact SG-NH1 3.36Å; A2166-R2168 HydrophobicContact CB-CG 3.87Å; A2166-R2168 VanDerWaalsContact CB-CZ 3.44Å; A2166-R2168 WeakPolarHBondContact O-CD 3.33Å
2169	I	26.1	Very low	27.9	Very low	87 Å²	87	128.5 Å²	128.5	45%	0.446	62%	0.624	S	S	.	*			cis	-160.6	153	0.1	-87.6	141.9	0	0	0	104.9	L1038 N1039	L1038-I2169 HydrophobicContact CG-CG2 4.34Å; N1039-I2169 PolarHBondContact ND2-O 3.36Å; N1039-I2169 WeakPolarHBondContact OD1-CB 3.5Å; N1039-I2169 WeakPolarHBondContact OD1-CD1 3.15Å; N1039-I2169 VanDerWaalsContact OD1-CG2 3.23Å; N1039-I2169 WeakPolarHBondContact OD1-CG2 3.49Å
2170	T	27.9	Very low	28.2	Very low	112 Å²	112	132 Å²	132	69%	0.687	63%	0.629	S	S	*	*			trans	-154.5	143.7	148.6	-74.7	0	0	0	0	113.2
2171	R	27.7	Very low	28.6	Very low	134 Å²	134	131.5 Å²	131.5	51%	0.506	63%	0.627	S	S	.	*			trans	-17.3	132.5	165.8	-62.3	163.5	-167.3	-165.8	3.1	116.3	N1037 L1038	N1037-R2171 PolarHBondContact O-NH2 3.25Å; L1038-R2171 HydrophobicContact CD1-CG 4Å
2172	R	25.3	Very low	28.7	Very low	195 Å²	195	131.5 Å²	131.5	74%	0.736	63%	0.627	S	S	*	*				63.2	125.5	74.2	-95.7	-170.2	-178.2	-177.6	2.1	115.1
2173	L	25.5	Very low	28.6	Very low	145 Å²	145	133.9 Å²	133.9	76%	0.759	64%	0.635	S	S	*	*			trans	76.9	139.5	150.2	-64.6	163.9	0	0	0	119.9
2174	T	25.2	Very low	28.7	Very low	116 Å²	116	136.5 Å²	136.5	71%	0.712	65%	0.649	S	S	*	*			trans	55.3	110.4	154.8	50.7	0	0	0	0	120.5
2175	I	31.3	Very low	28.4	Very low	147 Å²	147	138 Å²	138	75%	0.754	66%	0.661	S	S	*	*			trans	69.1	123.5	136.6	-58.3	169.9	0	0	0	117.8
2176	R	30.7	Very low	28.6	Very low	201 Å²	201	139.2 Å²	139.2	76%	0.758	69%	0.685	S	S	*	*			trans	87.9	130.7	162.9	-82.3	-177.4	163.7	112.8	-1.1	121.8
2177	E	30.8	Very low	28.9	Very low	155 Å²	155	141.8 Å²	141.8	72%	0.724	71%	0.706	S	S	*	*			trans	66.1	102.7	130.3	-65.2	157.9	-162.3	0	0	123.5
2178	A	25.5	Very low	28.7	Very low	92 Å²	92	146.7 Å²	146.7	76%	0.76	72%	0.723	S	S	*	*				78.5	124.9	117.7	0	0	0	0	0	125.5
2179	R	28.2	Very low	29.1	Very low	228 Å²	228	147.8 Å²	147.8	86%	0.86	73%	0.734	S	S	*	*			trans	87.5	105.3	134.5	-77.8	178.7	173.3	-179	-0.8	124.5
2180	H	32.7	Very low	29	Very low	168 Å²	168	148.6 Å²	148.6	78%	0.778	75%	0.747	S	S	*	*				72.7	140.5	105.5	-116.7	-42.8	0	0	0	124.6
2181	R	35.5	Very low	29.1	Very low	199 Å²	199	152.2 Å²	152.2	75%	0.751	75%	0.753	S	S	*	*			trans	88.1	168.7	155.5	-61.9	-173.9	-169.1	162.9	0	116.7
2182	H	32.2	Very low	29.2	Very low	141 Å²	141	151.9 Å²	151.9	65%	0.653	77%	0.766	S	S	*	*			cis	-160.6	159.3	33.1	-125.3	-64.4	0	0	0	118.5
2183	L	26.6	Very low	29.3	Very low	155 Å²	155	150.6 Å²	150.6	81%	0.812	77%	0.768	S	S	*	*			trans	-147.7	176.6	146.6	-70.6	-179.8	0	0	0	108.3
2184	N	28.2	Very low	29.3	Very low	131 Å²	131	151.2 Å²	151.2	70%	0.701	77%	0.767	S	S	*	*				-147.1	168.5	-76.2	-162.4	10.4	0	0	0	110
2185	N	30.2	Very low	29.3	Very low	148 Å²	148	150.9 Å²	150.9	79%	0.791	76%	0.764	S	S	*	*			trans	64.1	126.4	174.7	-54.3	-8.7	0	0	0	116.5
2186	G	30.6	Very low	28.9	Very low	80 Å²	80	152.3 Å²	152.3	83%	0.825	77%	0.768	S	S	*	*			cis	130.8	135.5	-2.6	0	0	0	0	0	112
2187	A	30	Very low	29.2	Very low	100 Å²	100	147.6 Å²	147.6	83%	0.826	76%	0.763	S	S	*	*			cis	-121.3	-109.8	-3.9	0	0	0	0	0	112.2
2188	Y	26.5	Very low	29	Very low	212 Å²	212	146.2 Å²	146.2	83%	0.831	76%	0.761	S	S	*	*			cis	-159.8	-177.8	-1	-171.9	-116.8	0	0	0	110.7
2189	E	34.1	Very low	29.2	Very low	158 Å²	158	147.1 Å²	147.1	74%	0.738	76%	0.757	S	S	*	*			trans	58.3	114.3	-177.4	-75	-157.8	139.3	0	0	119.3
2190	S	25.4	Very low	29.4	Very low	103 Å²	103	142.6 Å²	142.6	72%	0.72	75%	0.75	S	S	*	*				42.9	125	120.8	155.4	0	0	0	0	119.5
2191	K	28.1	Very low	29.4	Very low	189 Å²	189	140.9 Å²	140.9	82%	0.822	75%	0.746	S	S	*	*			cis	-125	-174.6	10.8	-66.7	-177.2	176.4	175.3	0	111.3
2192	V	30	Very low	29.3	Very low	127 Å²	127	134.9 Å²	134.9	77%	0.77	73%	0.728	S	S	*	*			trans	79.3	101.7	-174.9	-174.2	0	0	0	0	110.3
2193	Q	29.1	Very low	29.2	Very low	168 Å²	168	132 Å²	132	79%	0.785	72%	0.724	S	S	*	*				65	137.7	65.7	-70	-176.7	-47.8	0	0	113.4
2194	H	25.5	Very low	29.7	Very low	157 Å²	157	130.2 Å²	130.2	73%	0.727	72%	0.722	S	S	*	*			cis	-174.2	154.4	-16.3	-154.2	-48.9	0	0	0	106.9
2195	V	25.1	Very low	29.7	Very low	109 Å²	109	131.2 Å²	131.2	66%	0.661	73%	0.726	S	S	*	*			trans	61.2	-179.3	172.6	-140.2	0	0	0	0	109
2196	Q	23	Very low	29.7	Very low	177 Å²	177	132.2 Å²	132.2	83%	0.827	73%	0.726	S	S	*	*			cis	67.2	173.4	6	-72	172.2	-105.5	0	0	116.1
2197	P	35.5	Very low	29.4	Very low	102 Å²	102	136 Å²	136	66%	0.662	72%	0.722	S	S	*	*				-70.7	-159	-63.5	34	-21.1	0	0	0	109.9
2198	D	26.4	Very low	29.1	Very low	127 Å²	127	135.7 Å²	135.7	68%	0.679	71%	0.714	S	S	*	*			cis	-157.3	138.2	30.8	-103.4	-39.3	0	0	0	114.3
2199	T	30.7	Very low	28.9	Very low	111 Å²	111	132.7 Å²	132.7	68%	0.681	71%	0.712	S	S	*	*			trans	62.2	157.1	142.5	66.4	0	0	0	0	122.8
2200	N	32.7	Very low	28.6	Very low	133 Å²	133	130.5 Å²	130.5	71%	0.711	71%	0.714	S	S	*	*			cis	-165.5	137.1	-40.1	-100.2	-5	0	0	0	107.5
2201	L	32.2	Very low	28.7	Very low	132 Å²	132	133 Å²	133	69%	0.691	72%	0.718	S	S	*	*				72.8	108.7	75.2	-74.9	178.6	0	0	0	117.7
2202	N	32.3	Very low	29.1	Very low	72 Å²	72	128.8 Å²	128.8	39%	0.385	71%	0.71	S	S	.	*				60.9	-173.9	121.4	-60.6	21.9	0	0	0	121.5	L1038 N1039 S1040	L1038-N2202 CarbonylContact O-C 3.39Å; L1038-N2202 VanDerWaalsContact O-CA 3.32Å; L1038-N2202 WeakPolarHBondContact O-CA 3.24Å; N1039-N2202 HydrophobicContact CB-CB 4.01Å; N1039-N2202 WeakPolarHBondContact CB-ND2 3.25Å; N1039-N2202 WeakPolarHBondContact CB-OD1 3.31Å; N1039-N2202 PolarHBondContact ND2-OD1 3.14Å; N1039-N2202 CarbonylContact O-C 3.56Å; N1039-N2202 WeakPolarHBondContact O-CA 3.42Å; N1039-N2202 VanDerWaalsContact O-CB 3.31Å; N1039-N2202 WeakPolarHBondContact O-CB 3.19Å; S1040-N2202 PolarHBondContact O-ND2 3.28Å
2203	C	31.5	Very low	28.9	Very low	82 Å²	82	128.6 Å²	128.6	55%	0.554	71%	0.705	S	S	*	*			trans	-137	133.4	-155.1	-152.1	0	0	0	0	116.1	L1038 N1039	L1038-C2203 WeakPolarHBondContact O-CB 2.26Å; N1039-C2203 WeakPolarHBondContact O-CB 2.27Å; N1039-C2203 PolarHBondContact O-N 3.01Å
2204	C	37.2	Very low	28.8	Very low	116 Å²	116	127.5 Å²	127.5	78%	0.784	70%	0.704	S	S	*	*			trans	72.2	152	148.3	-75.1	0	0	0	0	124.3
2205	I	28	Very low	28.9	Very low	153 Å²	153	123.6 Å²	123.6	79%	0.785	70%	0.699	S	S	*	*			trans	95.5	138.3	160	-45.5	-166.9	0	0	0	118.8
2206	H	29.2	Very low	29.2	Very low	169 Å²	169	128.4 Å²	128.4	78%	0.782	71%	0.707	S	S	*	*			trans	80.3	167	176.3	-84.7	-63.1	0	0	0	120.2
2207	Q	24	Very low	29.5	Very low	158 Å²	158	125.9 Å²	125.9	74%	0.738	70%	0.697	S	S	*	*			trans	-123	161	-139.6	-68	163.2	-84.6	0	0	115.6
2208	S	23.7	Very low	29	Very low	94 Å²	94	126.2 Å²	126.2	66%	0.657	69%	0.693	S	S	*	*			trans	66.8	124.6	142.5	54.5	0	0	0	0	122
2209	D	24.1	Very low	29.3	Very low	149 Å²	149	127 Å²	127	80%	0.797	69%	0.69	S	S	*	*			trans	70	90	132.7	-54	-12.5	0	0	0	121.7
2210	S	27.2	Very low	29.2	Very low	112 Å²	112	125.3 Å²	125.3	78%	0.783	68%	0.683	S	S	*	*				-171.4	113.5	118.6	21.2	0	0	0	0	110
2211	I	26.4	Very low	29.3	Very low	157 Å²	157	127.1 Å²	127.1	81%	0.805	69%	0.685	S	S	*	*				91.8	123.4	73.5	-80.9	166.3	0	0	0	112.5
2212	P	36.5	Very low	28.9	Very low	100 Å²	100	127.6 Å²	127.6	65%	0.649	69%	0.688	S	S	*	*			cis	-135.6	-131.1	-48	38.3	-17.2	0	0	0	108.6
2213	N	27	Very low	28.6	Very low	123 Å²	123	129.5 Å²	129.5	66%	0.658	71%	0.705	S	S	*	*			trans	73	129.1	164.8	-71.7	-34	0	0	0	115.4
2214	N	26.2	Very low	28.3	Very low	145 Å²	145	135.5 Å²	135.5	78%	0.775	72%	0.718	S	S	*	*				56.2	124.2	75.4	-59.3	-44.8	0	0	0	110.9
2215	A	28.4	Very low	28	Very low	75 Å²	75	135.2 Å²	135.2	62%	0.62	72%	0.716	S	S	*	*			cis	-159.9	161	21.8	0	0	0	0	0	111.9
2216	Y	30	Very low	27.7	Very low	209 Å²	209	136.3 Å²	136.3	82%	0.82	72%	0.718	S	S	*	*			trans	62.3	137.4	149.4	-70.7	-155.5	0	0	0	117
2217	M	30	Very low	27.9	Very low	124 Å²	124	133.4 Å²	133.4	61%	0.611	71%	0.714	S	S	*	*			cis	-156.3	154.5	0	-123.5	-161.9	-174.5	0	0	111.1	K2219	M2217-K2219 PolarHBondContact O-N 3.24Å
2218	D	25.5	Very low	28.1	Very low	109 Å²	109	131.3 Å²	131.3	58%	0.583	71%	0.712	S	S	*	*				-1.5	107	123	167.4	51.2	0	0	0	115.8
2219	K	32.5	Very low	28.2	Very low	143 Å²	143	132.3 Å²	132.3	62%	0.622	71%	0.714	S	S	*	*				-162.3	130.8	111.4	-91.2	137.9	-158.4	74.8	0	109.2	M2217	M2217-K2219 PolarHBondContact O-N 3.24Å
2220	S	28.2	Very low	28.3	Very low	77 Å²	77	131.3 Å²	131.3	54%	0.538	72%	0.718	S	S	.	*				66.1	132.9	77	121	0	0	0	0	111.7
2221	K	36.2	Very low	28.6	Very low	170 Å²	170	130.1 Å²	130.1	74%	0.739	71%	0.709	S	S	*	*			cis	-156	127.5	5.2	-105	146.2	-167.4	164.7	0	105
2222	N	23.4	Very low	29.1	Very low	143 Å²	143	132.4 Å²	132.4	77%	0.765	71%	0.713	S	S	*	*				46.9	111.4	67.7	-133	23	0	0	0	114
2223	C	26.1	Very low	29.3	Very low	111 Å²	111	130.5 Å²	130.5	75%	0.75	71%	0.712	S	S	*	*			trans	30.2	109.2	152.2	-55.3	0	0	0	0	119.2
2224	Y	24.6	Very low	29.3	Very low	208 Å²	208	130.6 Å²	130.6	82%	0.816	72%	0.722	S	S	*	*			trans	-149.8	150.2	150.8	-102.3	-73.7	0	0	0	111.5
2225	C	30.2	Very low	29.9	Very low	110 Å²	110	127.8 Å²	127.8	74%	0.743	72%	0.719	S	S	*	*			trans	59.9	123.3	158.1	-62.1	0	0	0	0	117.6
2226	Q	22.7	Very low	30.3	Very low	176 Å²	176	132.9 Å²	132.9	82%	0.822	73%	0.73	S	S	*	*			cis	57.9	137.1	14.3	-119.7	-157.4	38.4	0	0	115.7
2227	P	33.7	Very low	30.5	Very low	108 Å²	108	127.1 Å²	127.1	70%	0.701	72%	0.717	S	S	*	*				-102.1	-106.2	-61.7	33.2	-27.9	0	0	0	110.1
2228	V	27.6	Very low	30.4	Very low	115 Å²	115	131.6 Å²	131.6	70%	0.697	73%	0.728	S	S	*	*			trans	59.2	75.7	165.6	-172.3	0	0	0	0	114.7
2229	T	25.8	Very low	30.5	Very low	115 Å²	115	130.9 Å²	130.9	71%	0.706	74%	0.738	S	S	*	*				68.6	141.8	97.5	62.6	0	0	0	0	117.1
2230	C	26.2	Very low	30.3	Very low	128 Å²	128	129.1 Å²	129.1	87%	0.865	74%	0.743	S	S	*	*			trans	70.4	137.4	159.1	-71.1	0	0	0	0	116.6
2231	S	32.8	Very low	30.4	Very low	86 Å²	86	131 Å²	131	60%	0.601	75%	0.752	S	S	*	*			cis	-157.2	163.4	9.3	64.5	0	0	0	0	113
2232	K	38.3	Very low	30.2	Very low	205 Å²	205	125.8 Å²	125.8	89%	0.891	74%	0.74	S	S	*	*			trans	59.8	118.6	158.1	-61.5	156.1	-174.6	173.1	0	116.6
2233	G	40	Very low	30.5	Very low	61 Å²	61	121.6 Å²	121.6	63%	0.629	73%	0.725	S	S	*	*			cis	-171.1	141	-1.9	0	0	0	0	0	109.2
2234	S	26.9	Very low	30.7	Very low	124 Å²	124	123.7 Å²	123.7	87%	0.867	72%	0.724	S	S	*	*				51	116.3	82.3	70.1	0	0	0	0	111.9
2235	A	38.3	Very low	31.3	Very low	86 Å²	86	124.7 Å²	124.7	71%	0.711	73%	0.726	S	S	*	*			cis	-148.6	158.3	33.8	0	0	0	0	0	110.7
2236	Q	37.3	Very low	31.2	Very low	182 Å²	182	127.1 Å²	127.1	85%	0.85	72%	0.724	S	S	*	*			cis	-173.1	-179.2	2.2	-110.5	171.6	-20.5	0	0	106
2237	T	33.3	Very low	31.3	Very low	89 Å²	89	121.9 Å²	121.9	55%	0.546	72%	0.718	S	S	.	*			cis	174.3	138	-32.9	-102.5	0	0	0	0	105.1
2238	Y	28	Very low	30.8	Very low	218 Å²	218	124.2 Å²	124.2	86%	0.855	72%	0.723	S	S	*	*			cis	-144	-161.7	-8.3	-93.4	152.2	0	0	0	106.4
2239	A	28.9	Very low	30.8	Very low	94 Å²	94	121.4 Å²	121.4	78%	0.777	71%	0.708	S	S	*	*			cis	-150.3	-175.2	15.4	0	0	0	0	0	112.5
2240	S	27.8	Very low	31.1	Very low	106 Å²	106	121.8 Å²	121.8	74%	0.741	71%	0.705	S	S	*	*			trans	-173.6	-155.8	-164.2	55.2	0	0	0	0	110.6
2241	V	30.4	Very low	31.5	Very low	117 Å²	117	118.7 Å²	118.7	71%	0.709	70%	0.695	S	S	*	*			trans	75.7	145.5	166.5	162.8	0	0	0	0	116.4
2242	A	30.9	Very low	31	Very low	59 Å²	59	119.7 Å²	119.7	49%	0.488	69%	0.69	S	S	.	*			cis	-168.8	-154	-21.3	0	0	0	0	0	112.3	C739	C739-A2242 VanDerWaalsContact O-CB 3.29Å; C739-A2242 WeakPolarHBondContact O-CB 2.27Å
2243	A	29.8	Very low	30.7	Very low	56 Å²	56	116.5 Å²	116.5	46%	0.463	69%	0.688	S	S	.	*			trans	-152.6	-172.1	179.1	0	0	0	0	0	110.6	C739 F740	C739-A2243 CarbonylContact C-O 3.44Å; F740-A2243 PolarHBondContact N-O 3.38Å; F740-A2243 PolarHBondContact O-N 3.39Å
2244	Q	31.1	Very low	29.9	Very low	155 Å²	155	117.4 Å²	117.4	72%	0.724	69%	0.685	S	S	*	*			cis	-170.2	161.4	19.5	-161.7	-140.4	118.5	0	0	111.9
2245	R	38.1	Very low	29.8	Very low	229 Å²	229	117.1 Å²	117.1	86%	0.864	68%	0.678	S	S	*	*			trans	73.8	163.4	161.9	-123	175.5	-172.8	177.8	2.3	117.6
2246	F	28.2	Very low	29.2	Very low	160 Å²	160	120.6 Å²	120.6	70%	0.702	68%	0.679	S	S	*	*	S	Bend	trans	-83.3	128.7	-178.6	-111.4	-104.2	0	0	0	111.2	Q2252	F2246-Q2252 VanDerWaalsContact CE1-NE2 3.26Å; F2246-Q2252 HydrophobicContact CE2-CG 4.23Å; F2246-Q2252 HydrophobicContact CZ-CG 4.38Å
2247	G	24	Very low	29.3	Very low	66 Å²	66	116.8 Å²	116.8	68%	0.68	67%	0.67	S	S	*	*	S	Bend	trans	163.7	70.8	176.1	0	0	0	0	0	113.4
2248	I	24.1	Very low	28.9	Very low	158 Å²	158	120.1 Å²	120.1	81%	0.81	68%	0.683	S	S	*	*	S	Bend	trans	72.2	149.3	-176.5	-56.3	177.1	0	0	0	114.1
2249	S	26.1	Very low	28.9	Very low	56 Å²	56	114.1 Å²	114.1	39%	0.392	67%	0.673	S	S	.	*	S	Bend	trans	46.3	111.2	173.6	-63.5	0	0	0	0	121.2
2250	L	32	Very low	28.9	Very low	122 Å²	122	113.4 Å²	113.4	64%	0.639	66%	0.662	S	S	*	*	S	Bend	trans	35.7	102.5	131.5	-55.9	-168.6	0	0	0	118.2	T733	T733-L2250 WeakPolarHBondContact O-CD1 2.26Å
2251	G	34.7	Very low	28.9	Very low	64 Å²	64	111.8 Å²	111.8	66%	0.66	65%	0.645	S	S	*	*			cis	-157.7	157.1	-7.4	0	0	0	0	0	110
2252	Q	22.5	Very low	28.8	Very low	107 Å²	107	110.6 Å²	110.6	50%	0.5	64%	0.642	S	S	.	*			cis	53.4	58.6	32.8	-63.1	-165.9	52.7	0	0	114	F2246	F2246-Q2252 VanDerWaalsContact CE1-NE2 3.26Å; F2246-Q2252 HydrophobicContact CE2-CG 4.23Å; F2246-Q2252 HydrophobicContact CZ-CG 4.38Å
2253	T	31.3	Very low	28.6	Very low	138 Å²	138	114.8 Å²	114.8	85%	0.847	66%	0.655	S	S	*	*				-112.3	58	124.5	42.5	0	0	0	0	109.5	T2255	T2253-T2255 VanDerWaalsContact C-N 3.31Å; T2253-T2255 PolarHBondContact O-N 2.75Å; T2253-T2255 VanDerWaalsContact O-N 3.14Å
2254	S	23.8	Very low	28.4	Very low	79 Å²	79	114.4 Å²	114.4	55%	0.552	65%	0.649	S	S	*	*			trans	-82.8	75.6	171.8	53	0	0	0	0	110.3
2255	T	25.9	Very low	28.1	Very low	118 Å²	118	112.5 Å²	112.5	72%	0.724	64%	0.64	S	S	*	*			trans	-127.5	98.4	171.7	49.9	0	0	0	0	107.9	T2253	T2253-T2255 VanDerWaalsContact C-N 3.31Å; T2253-T2255 PolarHBondContact O-N 2.75Å; T2253-T2255 VanDerWaalsContact O-N 3.14Å
2256	H	25.9	Very low	27.4	Very low	159 Å²	159	106.5 Å²	106.5	74%	0.736	63%	0.625	S	S	*	*				81.7	139.4	85.3	-98.4	-98.5	0	0	0	112.8
2257	P	38	Very low	27.2	Very low	102 Å²	102	101.8 Å²	101.8	66%	0.662	61%	0.607	S	S	*	*			trans	-69.6	164.7	157.5	35.1	-36.1	0	0	0	109.4
2258	I	25.8	Very low	27.2	Very low	159 Å²	159	105.2 Å²	105.2	82%	0.815	61%	0.608	S	S	*	*			trans	-167.6	164.3	142.4	-102.2	149.8	0	0	0	109.1
2259	S	27.9	Very low	27.3	Very low	92 Å²	92	103.7 Å²	103.7	64%	0.643	60%	0.599	S	S	*	*			trans	-73	175.5	-172.7	56	0	0	0	0	115.6
2260	S	28.2	Very low	27.2	Very low	80 Å²	80	108.4 Å²	108.4	56%	0.559	61%	0.613	S	S	*	*			trans	75.4	121.1	136.6	56.2	0	0	0	0	121.2	S796	S796-S2260 WeakPolarHBondContact OG-CA 2.24Å
2261	N	28.5	Very low	26.9	Very low	72 Å²	72	109.7 Å²	109.7	39%	0.385	61%	0.614	S	S	.	*			trans	50.9	128.4	141	-80.6	-42.7	0	0	0	121.4	I795 S796	I795-N2261 PolarHBondContact N-OD1 2.75Å; I795-N2261 PolarHBondContact O-OD1 3.5Å; I795-N2261 VanDerWaalsContact O-OD1 3.04Å; S796-N2261 WeakPolarHBondContact CB-OD1 2.26Å; S796-N2261 PolarHBondContact OG-N 3Å
2262	S	28.7	Very low	26.6	Very low	92 Å²	92	112.5 Å²	112.5	64%	0.643	62%	0.621	S	S	*	*			trans	86.7	123.7	142.7	77.4	0	0	0	0	121.3
2263	I	26.1	Very low	26.9	Very low	146 Å²	146	111.3 Å²	111.3	75%	0.749	63%	0.629	S	S	*	*			trans	67.8	123.7	150.4	-59.9	169.2	0	0	0	115.6	L723	L723-I2263 WeakPolarHBondContact CD2-O 3.17Å
2264	S	24.8	Very low	26.7	Very low	48 Å²	48	113.7 Å²	113.7	34%	0.336	63%	0.63	S	S	.	*			cis	-157.4	167.7	14	48.2	0	0	0	0	115	P722	P722-S2264 VanDerWaalsContact O-O 3.11Å; P722-S2264 PolarHBondContact O-OG 2.94Å
2265	Q	24.8	Very low	26.9	Very low	116 Å²	116	120.5 Å²	120.5	54%	0.542	64%	0.643	S	S	.	*			trans	64.6	120.7	142.5	-83.5	-176.3	62.1	0	0	123	S721 P722	S721-Q2265 WeakPolarHBondContact CA-O 3.48Å; S721-Q2265 WeakPolarHBondContact CB-O 3.44Å; P722-Q2265 VanDerWaalsContact CD-OE1 3.23Å
2266	N	23.7	Very low	26.8	Very low	102 Å²	102	125.1 Å²	125.1	55%	0.545	65%	0.648	S	S	.	*				68.9	150.3	124.4	-68.9	-8.1	0	0	0	123.8	K720 S721	K720-N2266 WeakPolarHBondContact O-CB 3.34Å; K720-N2266 PolarHBondContact O-ND2 2.75Å; S721-N2266 WeakPolarHBondContact CA-O 3.36Å; S721-N2266 VanDerWaalsContact CB-O 3.25Å; S721-N2266 WeakPolarHBondContact CB-O 3.43Å
2267	N	25.1	Very low	26.8	Very low	61 Å²	61	122.5 Å²	122.5	33%	0.326	65%	0.647	S	S	.	*			trans	57.2	119.2	149.9	-64.9	-41.6	0	0	0	119.1	S719 K720	S719-N2267 PolarHBondContact O-ND2 3.46Å; K720-N2267 PolarHBondContact O-ND2 3.35Å
2268	I	23.5	Very low	26.2	Very low	138 Å²	138	125.6 Å²	125.6	71%	0.708	66%	0.657	S	S	*	*			cis	71.5	133.7	48.4	-52.7	171.8	0	0	0	112.7
2269	M	25.2	Very low	26.1	Very low	126 Å²	126	121 Å²	121	62%	0.621	63%	0.633	S	S	*	*			trans	77.3	105.9	-173.1	-43.4	-61.6	-85.1	0	0	113.5
2270	F	25.2	Very low	26.6	Very low	156 Å²	156	123.8 Å²	123.8	68%	0.684	63%	0.633	S	S	*	*				72.6	147.9	83.9	-72.5	-51.6	0	0	0	114.1
2271	F	26.2	Very low	26.7	Very low	148 Å²	148	125.6 Å²	125.6	65%	0.649	64%	0.643	S	S	*	*			cis	-151.6	155.8	5.5	-118	-47.6	0	0	0	107.2	A2273	F2271-A2273 HydrophobicContact CE1-CB 4.45Å
2272	P	27.8	Very low	26.5	Very low	124 Å²	124	129 Å²	129	81%	0.805	66%	0.66	S	S	*	*				-135.4	162.2	83.3	25.8	-6.4	0	0	0	114.2	H2274	P2272-H2274 PolarHBondContact O-N 2.98Å
2273	A	29.7	Very low	26.3	Very low	81 Å²	81	131 Å²	131	67%	0.669	66%	0.663	S	S	*	*			trans	-74.2	98.5	-166.2	0	0	0	0	0	113.6	F2271 R2275	F2271-A2273 HydrophobicContact CE1-CB 4.45Å; A2273-R2275 PolarHBondContact O-N 2.68Å
2274	H	25.7	Very low	26.2	Very low	188 Å²	188	133.8 Å²	133.8	87%	0.87	66%	0.664	S	S	*	*			trans	-78.3	109.3	146.5	-142.8	-65.7	0	0	0	108.4	P2272 R2276	P2272-H2274 PolarHBondContact O-N 2.98Å; H2274-R2276 PolarHBondContact O-N 2.71Å
2275	R	28.8	Very low	26.2	Very low	222 Å²	222	138.1 Å²	138.1	84%	0.838	68%	0.679	S	S	*	*			trans	-62.2	134.1	169.5	-87.2	-177.3	171.2	178.5	-2.2	109.2	A2273	A2273-R2275 PolarHBondContact O-N 2.68Å
2276	R	24.1	Very low	26.2	Very low	216 Å²	216	138.2 Å²	138.2	82%	0.815	68%	0.682	S	S	*	*				6.5	120.3	129.1	-71.3	176	179.6	174.8	-2.5	113.3	H2274	H2274-R2276 PolarHBondContact O-N 2.71Å
2277	S	26.1	Very low	26.3	Very low	104 Å²	104	138 Å²	138	73%	0.727	69%	0.689	S	S	*	*	S	Bend		70.9	138.6	84	-173.6	0	0	0	0	112
2278	L	24.8	Very low	26.3	Very low	167 Å²	167	142.5 Å²	142.5	87%	0.874	71%	0.708	S	S	*	*	S	Bend	trans	67.8	170	-151.5	-61.4	123.9	0	0	0	114.3
2279	E	22.9	Very low	26.5	Very low	63 Å²	63	146.9 Å²	146.9	29%	0.294	72%	0.715	S	S	.	*	S	Bend	trans	-63	135	174.4	-49.9	172.8	172.1	0	0	111.2	K1965 P1966	K1965-E2279 PolarHBondContact N-OE2 2.71Å; P1966-E2279 HydrophobicContact CB-CG 3.73Å; P1966-E2279 VanDerWaalsContact CB-OE1 3.25Å; P1966-E2279 WeakPolarHBondContact CB-OE1 3.43Å
2280	K	40	Very low	26.5	Very low	149 Å²	149	149 Å²	149	65%	0.648	72%	0.723	S	S	*	*			trans	20.1	120.4	150	-57	171.3	-169.2	163.8	0	117	K1965 P1966	K1965-K2280 WeakPolarHBondContact O-CD 3.25Å; K1965-K2280 WeakPolarHBondContact O-CE 3.45Å; K1965-K2280 PolarHBondContact O-NZ 3.33Å; P1966-K2280 WeakPolarHBondContact O-CE 3.39Å; P1966-K2280 PolarHBondContact O-NZ 3.06Å; P1966-K2280 VanDerWaalsContact O-NZ 3.12Å
2281	P	29.3	Very low	26.7	Very low	118 Å²	118	149.1 Å²	149.1	77%	0.766	73%	0.726	S	S	*	*				-138.3	150.8	92.1	35.6	-22.1	0	0	0	112.9
2282	L	24	Very low	26.9	Very low	143 Å²	143	152.1 Å²	152.1	75%	0.749	73%	0.733	S	S	*	*			cis	71.7	93.9	42.4	-158.1	-168.9	0	0	0	112.9
2283	I	25	Very low	26.7	Very low	136 Å²	136	150.4 Å²	150.4	70%	0.697	73%	0.729	S	S	*	*			trans	-177.7	126.3	151.1	-100.6	150.7	0	0	0	105.2
2284	R	23.9	Very low	26.5	Very low	204 Å²	204	153.8 Å²	153.8	77%	0.77	73%	0.733	S	S	*	*				61	146	82	-86.6	-179.4	-178.2	170.7	-0.7	110.6
2285	Q	24.8	Very low	26.9	Very low	139 Å²	139	153.2 Å²	153.2	65%	0.65	73%	0.728	S	S	*	*			cis	-169.3	-178.6	29	-146.3	165	-59.5	0	0	112
2286	L	25.2	Very low	27.4	Very low	118 Å²	118	147.8 Å²	147.8	62%	0.618	73%	0.725	S	S	*	*			trans	79.9	150.3	156	-62.9	153.4	0	0	0	116.5	E2288	L2286-E2288 VanDerWaalsContact CD2-CD 3.42Å; L2286-E2288 HydrophobicContact CD2-CG 3.95Å; L2286-E2288 WeakPolarHBondContact CD2-OE2 3.07Å
2287	S	25.2	Very low	27.8	Very low	98 Å²	98	143 Å²	143	69%	0.685	72%	0.72	S	S	*	*			cis	-141.7	133.8	1.9	-5.2	0	0	0	0	110.7
2288	E	25.6	Very low	28.7	Very low	155 Å²	155	143.6 Å²	143.6	72%	0.724	72%	0.721	S	S	*	*				70.3	113.9	88	-63.2	174.4	142.1	0	0	116.7	L2286	L2286-E2288 VanDerWaalsContact CD2-CD 3.42Å; L2286-E2288 HydrophobicContact CD2-CG 3.95Å; L2286-E2288 WeakPolarHBondContact CD2-OE2 3.07Å
2289	R	27.5	Very low	29.3	Very low	229 Å²	229	139.5 Å²	139.5	86%	0.864	70%	0.7	S	S	*	*			trans	179.6	120	137.7	-96.6	151.8	-178.2	-171.2	0.9	108.4
2290	Q	25.3	Very low	29.7	Very low	170 Å²	170	141.4 Å²	141.4	79%	0.794	71%	0.712	S	S	*	*				76.3	106.6	65.6	-74.5	-178.7	-29.6	0	0	114.5
2291	H	29.5	Very low	29.5	Very low	160 Å²	160	143 Å²	143	74%	0.741	72%	0.724	S	S	*	*			trans	-172.5	149.5	136.3	-120.5	-123.7	0	0	0	113.5
2292	R	30.1	Very low	29.6	Very low	211 Å²	211	142 Å²	142	80%	0.796	72%	0.72	S	S	*	*			trans	30.6	134.2	160.5	-69.7	178.1	176.1	151.2	-1.5	120.4
2293	A	23.7	Very low	30.1	Very low	88 Å²	88	142.1 Å²	142.1	73%	0.727	72%	0.721	S	S	*	*			cis	77	119.5	20.8	0	0	0	0	0	117.7
2294	M	25.1	Very low	30.6	Very low	152 Å²	152	140.5 Å²	140.5	75%	0.749	72%	0.717	S	S	*	*				155.2	151.7	129	-75.3	-107.1	-82.3	0	0	114.2
2295	F	35	Very low	31	Very low	175 Å²	175	137.2 Å²	137.2	77%	0.768	72%	0.715	S	S	*	*			trans	73.5	123.1	169.7	-56.2	-68.2	0	0	0	119.8
2296	S	39.4	Very low	31.2	Very low	109 Å²	109	133.1 Å²	133.1	76%	0.762	70%	0.702	S	S	*	*			trans	67.6	123.3	-177.7	69	0	0	0	0	116.5
2297	T	31.5	Very low	31.6	Very low	115 Å²	115	133.4 Å²	133.4	71%	0.706	71%	0.711	S	S	*	*			cis	66	161.1	-15.8	57.7	0	0	0	0	118.1
2298	P	44.5	Very low	32	Very low	116 Å²	116	132.4 Å²	132.4	75%	0.753	71%	0.708	S	S	*	*			cis	-118.9	-139.8	5	44.1	-29.8	0	0	0	114.1
2299	D	38.2	Very low	32	Very low	82 Å²	82	129.3 Å²	129.3	44%	0.439	70%	0.699	S	S	.	*			trans	-144.2	-170.9	-156.2	-57.9	-98.7	0	0	0	108.8	R2313	D2299-R2313 WeakPolarHBondContact OD1-CD 3.23Å; D2299-R2313 IonicContact OD1-CZ 2.78Å; D2299-R2313 IonicContact OD1-NE 3.63Å; D2299-R2313 IonicContact OD1-NH1 3.04Å; D2299-R2313 PolarHBondContact OD1-NH1 3.33Å; D2299-R2313 IonicContact OD2-NH1 3.54Å
2300	D	31.9	Very low	32	Very low	103 Å²	103	126.4 Å²	126.4	55%	0.551	69%	0.69	S	S	*	*			cis	-153.5	-143.1	13.8	-154.5	128	0	0	0	110	R2313	D2300-R2313 VanDerWaalsContact CG-NH2 3.3Å; D2300-R2313 IonicContact OD1-CZ 2.93Å; D2300-R2313 IonicContact OD1-NH1 3.7Å; D2300-R2313 PolarHBondContact OD1-NH1 2.78Å; D2300-R2313 IonicContact OD1-NH2 2.68Å; D2300-R2313 PolarHBondContact OD1-NH2 3.23Å; D2300-R2313 IonicContact OD2-CZ 2.64Å; D2300-R2313 IonicContact OD2-NH1 2.78Å; D2300-R2313 IonicContact OD2-NH2 3.15Å; D2300-R2313 PolarHBondContact OD2-NH2 2.96Å; D2300-R2313 VanDerWaalsContact OD2-NH2 3.17Å
2301	M	34	Very low	32.1	Very low	183 Å²	183	123.9 Å²	123.9	90%	0.901	69%	0.691	S	S	*	*			trans	67.3	100.1	-169	-51.9	-67.4	-177	0	0	112.1
2302	S	32.2	Very low	32	Very low	97 Å²	97	121.6 Å²	121.6	68%	0.678	69%	0.69	S	S	*	*			cis	-168.5	172.8	6.8	69.1	0	0	0	0	108.2
2303	L	34	Very low	31.6	Very low	145 Å²	145	117.1 Å²	117.1	76%	0.759	67%	0.673	S	S	*	*			cis	-155.7	-153.5	-4.5	-133.3	171	0	0	0	108.5
2304	T	35.7	Very low	31.8	Very low	102 Å²	102	118.4 Å²	118.4	63%	0.626	67%	0.668	S	S	*	*			trans	-62.5	148.3	174.6	50	0	0	0	0	114.1
2305	N	33.5	Very low	32.2	Very low	134 Å²	134	116.8 Å²	116.8	72%	0.717	67%	0.667	S	S	*	*			cis	-159.6	158.3	1.6	-112	1.7	0	0	0	107.9
2306	S	28.9	Very low	32.2	Very low	54 Å²	54	116.3 Å²	116.3	38%	0.378	67%	0.671	S	S	.	*			cis	77.8	144.8	26.2	-41.9	0	0	0	0	115.3	V2309	S2306-V2309 WeakPolarHBondContact OG-CG2 3.25Å
2307	P	32.4	Very low	31.9	Very low	124 Å²	124	115.5 Å²	115.5	81%	0.805	66%	0.662	S	S	*	*	S	Bend	cis	-121.5	125	-13.4	35.2	-19.3	0	0	0	113.1
2308	A	33.3	Very low	31.6	Very low	77 Å²	77	120.4 Å²	120.4	64%	0.636	67%	0.67	S	S	*	*	S	Bend	cis	55.9	-176.3	-5	0	0	0	0	0	116.3
2309	V	25.5	Very low	30.8	Very low	89 Å²	89	119.8 Å²	119.8	54%	0.539	67%	0.668	S	S	.	*			trans	67.6	94.4	160.8	-175.8	0	0	0	0	116.4	S2306	S2306-V2309 WeakPolarHBondContact OG-CG2 3.25Å
2310	Y	27.6	Very low	30.7	Very low	169 Å²	169	121.3 Å²	121.3	66%	0.663	69%	0.685	S	S	*	*				58.5	151.9	125.7	-90.8	-85	0	0	0	122.2	P2312	Y2310-P2312 WeakPolarHBondContact CD1-O 3.35Å; Y2310-P2312 VanDerWaalsContact CE1-O 3.29Å; Y2310-P2312 WeakPolarHBondContact CE1-O 3.38Å
2311	S	27.3	Very low	31.3	Very low	116 Å²	116	119.9 Å²	119.9	81%	0.811	68%	0.682	S	S	*	*	S	Bend		-166.7	149.9	105.5	-81.5	0	0	0	0	112.7
2312	P	27.8	Very low	31	Very low	112 Å²	112	117.5 Å²	117.5	73%	0.727	67%	0.668	S	S	*	*	S	Bend	cis	-98.9	170.3	-5.7	36.6	-29.4	0	0	0	113.9	Y2310	Y2310-P2312 WeakPolarHBondContact CD1-O 3.35Å; Y2310-P2312 VanDerWaalsContact CE1-O 3.29Å; Y2310-P2312 WeakPolarHBondContact CE1-O 3.38Å
2313	R	22.8	Very low	30.9	Very low	118 Å²	118	118.6 Å²	118.6	45%	0.445	66%	0.662	S	S	.	*			trans	-64.4	165.7	-173.8	-78.4	170.7	162.3	164.3	-9.3	116.8	D2299 D2300	D2299-R2313 WeakPolarHBondContact OD1-CD 3.23Å; D2299-R2313 IonicContact OD1-CZ 2.78Å; D2299-R2313 IonicContact OD1-NE 3.63Å; D2299-R2313 IonicContact OD1-NH1 3.04Å; D2299-R2313 PolarHBondContact OD1-NH1 3.33Å; D2299-R2313 IonicContact OD2-NH1 3.54Å; D2300-R2313 VanDerWaalsContact CG-NH2 3.3Å; D2300-R2313 IonicContact OD1-CZ 2.93Å; D2300-R2313 IonicContact OD1-NH1 3.7Å; D2300-R2313 PolarHBondContact OD1-NH1 2.78Å; D2300-R2313 IonicContact OD1-NH2 2.68Å; D2300-R2313 PolarHBondContact OD1-NH2 3.23Å; D2300-R2313 IonicContact OD2-CZ 2.64Å; D2300-R2313 IonicContact OD2-NH1 2.78Å; D2300-R2313 IonicContact OD2-NH2 3.15Å; D2300-R2313 PolarHBondContact OD2-NH2 2.96Å; D2300-R2313 VanDerWaalsContact OD2-NH2 3.17Å
2314	N	26.8	Very low	31.6	Very low	114 Å²	114	115.7 Å²	115.7	61%	0.61	65%	0.654	S	S	*	*			trans	65.7	161.1	146.2	-62.7	-10.8	0	0	0	117.3
2315	T	33.2	Very low	31.5	Very low	118 Å²	118	117.4 Å²	117.4	72%	0.724	67%	0.667	S	S	*	*			cis	-138.6	134.1	14.8	-41.6	0	0	0	0	112.3	P2317	T2315-P2317 HydrophobicContact CG2-CG 4.06Å
2316	I	36.1	Very low	31.3	Very low	166 Å²	166	122.8 Å²	122.8	85%	0.851	68%	0.677	S	S	*	*			trans	-97.2	127.2	157.1	-68.7	170.1	0	0	0	106.8
2317	P	32.3	Very low	31.1	Very low	91 Å²	91	125.6 Å²	125.6	59%	0.591	70%	0.697	S	S	*	*			trans	-145.7	142.1	137.5	21.7	0.6	0	0	0	116.3	T2315	T2315-P2317 HydrophobicContact CG2-CG 4.06Å
2318	Y	25.5	Very low	30.7	Very low	218 Å²	218	126.6 Å²	126.6	86%	0.855	70%	0.696	S	S	*	*			trans	59.1	141.6	142.9	-75	-73.9	0	0	0	123.9
2319	S	27.8	Very low	30.4	Very low	104 Å²	104	131 Å²	131	73%	0.727	70%	0.703	S	S	*	*	S	Bend	trans	78	54.7	153.8	-56	0	0	0	0	119.5
2320	S	36.8	Very low	30.3	Very low	113 Å²	113	134.5 Å²	134.5	79%	0.79	71%	0.711	S	S	*	*	S	Bend	trans	72	169.3	173.8	-35.6	0	0	0	0	114.2
2321	P	44.6	Very low	30.1	Very low	74 Å²	74	130.3 Å²	130.3	48%	0.481	70%	0.697	S	S	.	*			cis	-125.4	90.8	-18.1	31.3	-11.8	0	0	0	112.1	L2097	L2097-P2321 HydrophobicContact CD1-CB 4.44Å
2322	H	27.1	Very low	30.1	Very low	132 Å²	132	131 Å²	131	61%	0.611	69%	0.686	S	S	*	*			trans	-144.3	165.8	-170.7	-88.3	-121	0	0	0	109.8
2323	Q	30.4	Very low	29.9	Very low	121 Å²	121	128.7 Å²	128.7	57%	0.565	67%	0.665	S	S	*	*			cis	-170.3	159.9	-20.8	-110.5	177.6	-14.4	0	0	105.4	H2095	H2095-Q2323 PolarHBondContact NE2-NE2 3.15Å
2324	S	48.2	Very low	30.1	Very low	84 Å²	84	129.4 Å²	129.4	59%	0.587	68%	0.678	S	S	*	*			cis	68.7	116.3	15.6	69	0	0	0	0	116.5
2325	P	34.3	Very low	30.1	Very low	137 Å²	137	127.8 Å²	127.8	89%	0.89	67%	0.672	S	S	*	*			cis	-114.5	-121.2	40.6	40.8	-30.6	0	0	0	115
2326	R	28.3	Very low	30	Very low	247 Å²	247	131 Å²	131	93%	0.932	68%	0.676	S	S	*	*			trans	-72.3	131.4	-179.1	-88.4	-171.9	176.4	178.8	-0.1	112.3
2327	S	25.2	Very low	29.6	Very low	113 Å²	113	127.7 Å²	127.7	79%	0.79	67%	0.668	S	S	*	*				-170.5	173.6	118.1	57.7	0	0	0	0	112
2328	D	23.4	Very low	29.6	Very low	146 Å²	146	128.1 Å²	128.1	78%	0.781	67%	0.673	S	S	*	*			trans	-77.7	139.2	-168.9	-47.2	-92.6	0	0	0	114.9
2329	H	27	Very low	29.8	Very low	169 Å²	169	125.9 Å²	125.9	78%	0.782	67%	0.67	S	S	*	*				-178.4	114.6	116.5	-105.4	-84.1	0	0	0	107.7
2330	F	23.7	Very low	29.8	Very low	163 Å²	163	131.6 Å²	131.6	72%	0.715	68%	0.676	S	S	*	*				44.2	117.4	83.3	-111.2	-99.7	0	0	0	114.8
2331	Q	24	Very low	29.7	Very low	80 Å²	80	131.3 Å²	131.3	37%	0.374	67%	0.671	S	S	.	*			trans	93.7	81	137.3	-107.3	-175.6	40.1	0	0	121.2	P668 Q669 T670	P668-Q2331 HydrophobicContact CB-CB 4.42Å; P668-Q2331 HydrophobicContact CB-CG 3.2Å; Q669-Q2331 VanDerWaalsContact C-OE1 3.29Å; T670-Q2331 WeakPolarHBondContact CA-O 3.4Å; T670-Q2331 PolarHBondContact N-O 2.72Å
2332	K	26.5	Very low	29	Very low	132 Å²	132	133.2 Å²	133.2	57%	0.574	69%	0.686	S	S	*	*				-147.6	141.7	126.4	-102.6	-158.2	147	97.9	0	113	Q669 T670	Q669-K2332 HydrophobicContact CB-CG 4.06Å; Q669-K2332 HydrophobicContact CG-CB 4.39Å; Q669-K2332 HydrophobicContact CG-CG 3.84Å; T670-K2332 HydrophobicContact CG2-CD 3.94Å; T670-K2332 HydrophobicContact CG2-CG 3.92Å; T670-K2332 WeakPolarHBondContact OG1-CE 3.25Å; T670-K2332 PolarHBondContact OG1-NZ 3.42Å
2333	Q	24.3	Very low	29	Very low	63 Å²	63	133.8 Å²	133.8	29%	0.294	69%	0.693	S	S	.	*			trans	-64.2	162	164.3	-51	168.7	22.8	0	0	110.2	H667 P668 Q669	H667-Q2333 VanDerWaalsContact CE1-CD 3.43Å; H667-Q2333 PolarHBondContact ND1-NE2 2.71Å; H667-Q2333 PolarHBondContact ND1-OE1 3.37Å; P668-Q2333 HydrophobicContact CB-CG 4.36Å; P668-Q2333 VanDerWaalsContact CD-CG 3.48Å; P668-Q2333 HydrophobicContact CG-CG 3.79Å; P668-Q2333 PolarHBondContact O-NE2 2.82Å; Q669-Q2333 HydrophobicContact CG-CB 3.97Å; Q669-Q2333 HydrophobicContact CG-CG 3.56Å; Q669-Q2333 PolarHBondContact NE2-O 2.86Å
2334	N	27.7	Very low	28.8	Very low	132 Å²	132	132.9 Å²	132.9	71%	0.706	70%	0.696	S	S	*	*				-141.2	134.4	66.9	-87.3	-7.5	0	0	0	111.7
2335	V	25.6	Very low	28	Very low	81 Å²	81	135.3 Å²	135.3	49%	0.491	71%	0.707	S	S	.	*				55.3	104.4	88.8	-176.4	0	0	0	0	109.4
2336	F	30.4	Very low	27.6	Very low	185 Å²	185	134.1 Å²	134.1	81%	0.811	70%	0.697	S	S	*	*				-142	160.2	71.7	-102.1	-83.2	0	0	0	117
2337	S	29.3	Very low	27.7	Very low	97 Å²	97	127.5 Å²	127.5	68%	0.678	69%	0.689	S	S	*	*			trans	12.6	145.1	151.1	55.1	0	0	0	0	121.8
2338	S	31.7	Very low	27.5	Very low	100 Å²	100	127.1 Å²	127.1	70%	0.699	69%	0.686	S	S	*	*			cis	-170.8	152.1	-0.4	42.7	0	0	0	0	113.6
2339	H	30.1	Very low	27.7	Very low	170 Å²	170	128.3 Å²	128.3	79%	0.787	69%	0.685	S	S	*	*			trans	13.6	151.2	137.2	-57.3	-49.3	0	0	0	121.8
2340	R	28.4	Very low	27.5	Very low	225 Å²	225	123.2 Å²	123.2	85%	0.849	67%	0.668	S	S	*	*			cis	-158.9	150.4	7.2	-135.7	175.2	-178.1	-169.7	0.7	111.9
2341	P	34.2	Very low	27.5	Very low	106 Å²	106	118 Å²	118	69%	0.688	66%	0.661	S	S	*	*			trans	-100.9	161.1	166.6	38.4	-34	0	0	0	113.3
2342	S	28.8	Very low	27.5	Very low	115 Å²	115	116.5 Å²	116.5	80%	0.804	66%	0.659	S	S	*	*			trans	179.7	163.9	153.1	-76.6	0	0	0	0	109.8
2343	L	27.2	Very low	27.4	Very low	143 Å²	143	115.4 Å²	115.4	75%	0.749	67%	0.668	S	S	*	*				-178.4	139.8	-56.1	-107.6	167.5	0	0	0	108.2
2344	T	26.3	Very low	27.4	Very low	103 Å²	103	121.8 Å²	121.8	63%	0.632	70%	0.695	S	S	*	*			trans	47.8	105.9	156.9	50.6	0	0	0	0	121.5	T2346	T2344-T2346 HydrophobicContact CG2-CG2 3.98Å
2345	V	31.4	Very low	27.1	Very low	134 Å²	134	120 Å²	120	81%	0.812	69%	0.693	S	S	*	*				-144.1	129.8	122.3	-176.3	0	0	0	0	106.5
2346	T	26.8	Very low	27	Very low	113 Å²	113	121.4 Å²	121.4	69%	0.693	71%	0.706	S	S	*	*			cis	91.2	55.7	1.5	88.1	0	0	0	0	120.2	T2344	T2344-T2346 HydrophobicContact CG2-CG2 3.98Å
2347	S	29	Very low	26.7	Very low	107 Å²	107	115.4 Å²	115.4	75%	0.748	70%	0.697	S	S	*	*			trans	-155.9	126.6	147.2	49.9	0	0	0	0	113.7
2348	S	22.8	Very low	26.3	Very low	106 Å²	106	117.4 Å²	117.4	74%	0.741	69%	0.689	S	S	*	*			trans	-50.6	123.7	176.3	48.9	0	0	0	0	116.6
2349	F	26.1	Very low	25.9	Very low	170 Å²	170	116.3 Å²	116.3	75%	0.746	68%	0.681	S	S	*	*				-98.2	143	121.4	-74.8	-111.6	0	0	0	105.1	S2541	F2349-S2541 PolarHBondContact O-N 3.17Å
2350	S	22.6	Very low	25.7	Very low	63 Å²	63	113 Å²	113	44%	0.441	68%	0.677	S	S	.	*			cis	65.8	141.2	44.5	79.5	0	0	0	0	114.3	E2539 S2540	S2350-E2539 WeakPolarHBondContact CA-OE2 3.18Å; S2350-E2539 VanDerWaalsContact CB-OE2 3.28Å; S2350-E2539 WeakPolarHBondContact CB-OE2 2.96Å; S2350-S2540 PolarHBondContact N-O 3.03Å; S2350-S2540 VanDerWaalsContact N-O 3.1Å
2351	G	25.3	Very low	25.6	Very low	54 Å²	54	105.9 Å²	105.9	56%	0.557	67%	0.673	S	S	*	*			trans	114.2	76.2	-173.7	0	0	0	0	0	113.9	E2539 S2540	G2351-E2539 PolarHBondContact N-OE2 3.44Å; G2351-S2540 PolarHBondContact O-OG 3.14Å
2352	S	23.9	Very low	25.1	Very low	48 Å²	48	104.1 Å²	104.1	34%	0.336	68%	0.675	S	S	.	*			trans	-104.3	118.1	154.9	64	0	0	0	0	110.3	E2539	S2352-E2539 WeakPolarHBondContact CA-OE1 3.38Å; S2352-E2539 WeakPolarHBondContact CB-OE1 2.25Å; S2352-E2539 PolarHBondContact N-OE1 2.61Å; S2352-E2539 PolarHBondContact OG-N 3.04Å; S2352-E2539 PolarHBondContact OG-OE1 2.83Å
2353	S	24.2	Very low	25.1	Very low	109 Å²	109	106 Å²	106	76%	0.762	68%	0.676	S	S	*	*			trans	-147.5	138.4	160.6	-63.9	0	0	0	0	106.7
2354	F	23.7	Very low	25.2	Very low	196 Å²	196	106.8 Å²	106.8	86%	0.86	68%	0.68	S	S	*	*			cis	66	144.6	49.4	-86.4	-80.5	0	0	0	115.2
2355	S	22.4	Very low	25.2	Very low	95 Å²	95	107.1 Å²	107.1	66%	0.664	69%	0.686	S	S	*	*			trans	66.1	146.8	163	84.1	0	0	0	0	114.7
2356	S	23	Very low	25.2	Very low	111 Å²	111	103.8 Å²	103.8	78%	0.776	67%	0.669	S	S	*	*			cis	59.8	131.8	38.5	83.7	0	0	0	0	112.7
2357	G	24.1	Very low	25.5	Very low	59 Å²	59	105.1 Å²	105.1	61%	0.608	67%	0.667	S	S	*	*			trans	103.5	123.8	-159.9	0	0	0	0	0	110.8
2358	W	21.7	Very low	25.9	Very low	138 Å²	138	104 Å²	104	52%	0.523	66%	0.659	S	S	.	*			cis	77.2	98	32.2	-58.4	53.2	0	0	0	113.7	N608 E609 K610	N608-W2358 HydrophobicContact CB-CB 3.96Å; N608-W2358 HydrophobicContact CB-CD2 3.3Å; N608-W2358 HydrophobicContact CB-CE3 3.76Å; N608-W2358 HydrophobicContact CB-CG 3.4Å; N608-W2358 VanDerWaalsContact CB-CG 3.4Å; N608-W2358 HydrophobicContact CB-CZ2 4.28Å; N608-W2358 HydrophobicContact CB-CZ3 4.42Å; N608-W2358 VanDerWaalsContact CG-CD1 3.45Å; N608-W2358 WeakPolarHBondContact ND2-CA 2.23Å; N608-W2358 PolarHBondContact ND2-N 2.69Å; N608-W2358 VanDerWaalsContact ND2-N 3.17Å; N608-W2358 PolarHBondContact ND2-NE1 3.11Å; E609-W2358 HydrophobicContact CG-CE3 4.47Å; E609-W2358 HydrophobicContact CG-CZ3 3.83Å; K610-W2358 HydrophobicContact CB-CH2 4.47Å; K610-W2358 HydrophobicContact CG-CH2 3.88Å; K610-W2358 HydrophobicContact CG-CZ3 4.2Å
2359	C	23	Very low	25.8	Very low	77 Å²	77	101.6 Å²	101.6	52%	0.52	64%	0.643	S	S	.	*			trans	65.7	138.1	153.3	-73.9	0	0	0	0	117.3	F607 N608	F607-C2359 PolarHBondContact O-N 2.77Å; N608-C2359 PolarHBondContact N-SG 2.73Å; N608-C2359 PolarHBondContact O-SG 2.9Å
2360	S	24.3	Very low	25.8	Very low	100 Å²	100	97.4 Å²	97.4	70%	0.699	63%	0.632	S	S	*	*				65.7	122	53.1	-43.9	0	0	0	0	111.7
2361	G	26.2	Very low	25.9	Very low	76 Å²	76	96.4 Å²	96.4	78%	0.784	63%	0.633	S	S	*	*			cis	-166.9	-124.8	-1.6	0	0	0	0	0	111.2
2362	G	25.5	Very low	25.9	Very low	70 Å²	70	99.2 Å²	99.2	72%	0.722	64%	0.644	S	S	*	*			trans	-72.4	172.8	158.7	0	0	0	0	0	111.6
2363	D	27.6	Very low	26	Very low	154 Å²	154	100.7 Å²	100.7	82%	0.824	67%	0.666	S	S	*	*			trans	73.1	114.5	164.4	-56.9	-27.5	0	0	0	120.4
2364	L	29.7	Very low	26	Very low	160 Å²	160	100.7 Å²	100.7	84%	0.838	67%	0.666	S	S	*	*			trans	59.5	104.4	131	-56.1	175.5	0	0	0	120.3
2365	S	27.2	Very low	26.1	Very low	109 Å²	109	96 Å²	96	76%	0.762	66%	0.657	S	S	*	*				-175.7	156.3	115.9	32.7	0	0	0	0	112
2366	S	31.3	Very low	26.3	Very low	65 Å²	65	97.1 Å²	97.1	46%	0.455	67%	0.665	S	S	.	*	S	Bend	trans	-75.4	174.4	163.7	48.8	0	0	0	0	110.6	S369 S2368	S369-S2366 VanDerWaalsContact CB-OG 3.26Å; S369-S2366 WeakPolarHBondContact CB-OG 3.41Å; S369-S2366 PolarHBondContact OG-OG 3.06Å; S2366-S2368 PolarHBondContact O-N 3.4Å
2367	H	32.7	Very low	26.4	Very low	141 Å²	141	96 Å²	96	65%	0.653	66%	0.663	S	S	*	*	S	Bend	trans	-48.2	129.4	-166	-102.2	-78.7	0	0	0	115.6	I370	I370-H2367 HydrophobicContact CD1-CB 3.91Å; I370-H2367 HydrophobicContact CG2-CB 3.97Å
2368	S	36.1	Very low	26.5	Very low	83 Å²	83	97.3 Å²	97.3	58%	0.58	67%	0.668	S	S	*	*	S	Bend	trans	53.4	94.3	159.4	53.8	0	0	0	0	115.2	H368 S2366	H368-S2368 PolarHBondContact CE1-O 3.31Å; H368-S2368 PolarHBondContact ND1-O 2.79Å; H368-S2368 PolarHBondContact NE2-O 3.12Å; S2366-S2368 PolarHBondContact O-N 3.4Å
2369	S	21.3	Very low	26.7	Very low	56 Å²	56	96 Å²	96	39%	0.392	68%	0.68	S	S	.	*			trans	-152.4	150.1	178.1	-50.6	0	0	0	0	112.7	H368	H368-S2369 WeakPolarHBondContact CB-OG 3.39Å; H368-S2369 VanDerWaalsContact CD2-CB 3.41Å; H368-S2369 WeakPolarHBondContact CD2-CB 3.23Å; H368-S2369 PolarHBondContact CD2-OG 3.25Å
2370	P	26.5	Very low	26.8	Very low	81 Å²	81	98.4 Å²	98.4	53%	0.526	69%	0.692	S	S	.	*			trans	-82.2	161.4	143.5	10.2	10.3	0	0	0	110.6	D366	D366-P2370 WeakPolarHBondContact OD1-CD 3.39Å; D366-P2370 WeakPolarHBondContact OD1-CG 3.33Å; D366-P2370 WeakPolarHBondContact OD2-CB 3.4Å; D366-P2370 WeakPolarHBondContact OD2-CG 3.37Å
2371	G	25.2	Very low	27.1	Very low	43 Å²	43	98.3 Å²	98.3	44%	0.443	69%	0.689	S	S	.	*			trans	124.7	123.8	133.6	0	0	0	0	0	121.1	Y365	Y365-G2371 VanDerWaalsContact CE1-CA 3.44Å
2372	S	25	Very low	27.2	Very low	113 Å²	113	103.7 Å²	103.7	79%	0.79	69%	0.686	S	S	*	*			trans	78.4	157.2	149.4	81.6	0	0	0	0	118.5
2373	G	25.5	Very low	27.4	Very low	79 Å²	79	106.5 Å²	106.5	81%	0.814	69%	0.691	S	S	*	*			trans	140.5	108.4	169.7	0	0	0	0	0	116.4
2374	S	25	Very low	27.3	Very low	108 Å²	108	102 Å²	102	76%	0.755	67%	0.671	S	S	*	*			trans	-72.9	158.3	-177.7	49	0	0	0	0	118.2
2375	S	26	Very low	26.9	Very low	97 Å²	97	100.6 Å²	100.6	68%	0.678	67%	0.665	S	S	*	*			trans	73.3	136.8	134.7	65.1	0	0	0	0	123.8
2376	S	25.2	Very low	27.1	Very low	119 Å²	119	100.6 Å²	100.6	83%	0.832	66%	0.664	S	S	*	*			trans	66.7	178.3	145.4	74.4	0	0	0	0	118.5
2377	A	25.4	Very low	26.7	Very low	88 Å²	88	102 Å²	102	73%	0.727	67%	0.674	S	S	*	*				-160.8	159.1	-57.9	0	0	0	0	0	110.8
2378	A	25.5	Very low	26.4	Very low	87 Å²	87	104.1 Å²	104.1	72%	0.719	68%	0.684	S	S	*	*			trans	49.6	140.5	149.8	0	0	0	0	0	123.1
2379	S	27	Very low	26.1	Very low	109 Å²	109	106.2 Å²	106.2	76%	0.762	70%	0.699	S	S	*	*			trans	75.7	142.6	144.9	79.4	0	0	0	0	118
2380	V	23.6	Very low	26.3	Very low	129 Å²	129	109.1 Å²	109.1	78%	0.782	72%	0.719	S	S	*	*			cis	74.8	135.1	21.6	-172.5	0	0	0	0	113.2
2381	P	32.5	Very low	26.6	Very low	98 Å²	98	112.7 Å²	112.7	64%	0.636	73%	0.733	S	S	*	*			cis	-125.8	-157.7	-24.1	34.1	-13.5	0	0	0	111.3
2382	R	26.6	Very low	26.8	Very low	189 Å²	189	117.3 Å²	117.3	71%	0.713	75%	0.747	S	S	*	*			trans	75.5	160.6	157.8	-68.4	170.3	-177.5	-140	-0.5	116.8	C2384	R2382-C2384 VanDerWaalsContact CD-SG 3.56Å; R2382-C2384 HydrophobicContact CG-CB 4.36Å
2383	P	29.5	Very low	27.1	Very low	129 Å²	129	116.4 Å²	116.4	84%	0.838	74%	0.739	S	S	*	*	S	Bend	cis	-59.4	121.7	-1.5	-20.2	33.4	0	0	0	111.8
2384	C	25.9	Very low	27.2	Very low	59 Å²	59	118 Å²	118	40%	0.399	72%	0.724	S	S	.	*				54.7	96.5	80.4	-86.9	0	0	0	0	112.1	R2382	R2382-C2384 VanDerWaalsContact CD-SG 3.56Å; R2382-C2384 HydrophobicContact CG-CB 4.36Å
2385	D	22.9	Very low	28	Very low	131 Å²	131	119.8 Å²	119.8	70%	0.701	72%	0.72	S	S	*	*				44.7	117.6	119.4	-38.6	-46.8	0	0	0	115.8
2386	S	29.8	Very low	28.1	Very low	108 Å²	108	122.7 Å²	122.7	76%	0.755	72%	0.723	S	S	*	*				-164	128.5	60.7	25.7	0	0	0	0	114.2
2387	S	23.8	Very low	28.2	Very low	94 Å²	94	120.7 Å²	120.7	66%	0.657	72%	0.721	S	S	*	*			trans	11	121.7	131.9	53.6	0	0	0	0	119.5
2388	H	25.3	Very low	28.7	Very low	187 Å²	187	125.9 Å²	125.9	87%	0.866	72%	0.721	S	S	*	*			trans	52.7	105.6	134.5	-59.7	-72.6	0	0	0	119.8
2389	S	29.8	Very low	28.8	Very low	127 Å²	127	130.2 Å²	130.2	89%	0.888	72%	0.724	S	S	*	*				-139.7	131.2	124	55.2	0	0	0	0	111.2
2390	S	26.5	Very low	29	Very low	117 Å²	117	128.4 Å²	128.4	82%	0.818	72%	0.722	S	S	*	*			trans	-103.3	120.2	176.8	52.8	0	0	0	0	109.5
2391	L	32.1	Very low	29.4	Very low	156 Å²	156	127.3 Å²	127.3	82%	0.817	72%	0.721	S	S	*	*			trans	-154.2	105.6	167.4	-110	172.5	0	0	0	112.9
2392	N	29.3	Very low	29.6	Very low	139 Å²	139	130 Å²	130	74%	0.743	73%	0.729	S	S	*	*			trans	60.2	157.2	141.4	-84	-17.4	0	0	0	121.5
2393	P	31	Very low	29.7	Very low	94 Å²	94	129.9 Å²	129.9	61%	0.61	73%	0.729	S	S	*	*				-123.3	-164	-129.4	44.1	-33.3	0	0	0	114.3
2394	F	28.5	Very low	29.8	Very low	114 Å²	114	127.6 Å²	127.6	50%	0.5	72%	0.72	S	S	.	*			trans	63.5	164.9	171.1	-78.9	-50.6	0	0	0	115.4	Q2396 R2398	F2394-Q2396 HydrophobicContact CD1-CG 4.29Å; F2394-R2398 PolarHBondContact O-NE 2.78Å; F2394-R2398 PolarHBondContact O-NH2 2.85Å
2395	Q	42.1	Very low	29.9	Very low	145 Å²	145	129.1 Å²	129.1	68%	0.678	73%	0.731	S	S	*	*	S	Bend	cis	-148	140.5	-8	-126.9	131.4	17.2	0	0	106.1
2396	Q	28.1	Very low	30.2	Very low	158 Å²	158	132.8 Å²	132.8	74%	0.738	74%	0.737	S	S	*	*	S	Bend	cis	-163.1	135.5	-45	-127.3	175.5	-1.1	0	0	107.1	F2394	F2394-Q2396 HydrophobicContact CD1-CG 4.29Å
2397	G	27.9	Very low	30.1	Very low	76 Å²	76	134.7 Å²	134.7	78%	0.784	73%	0.734	S	S	*	*	S	Bend	cis	-91.5	149	-19.4	0	0	0	0	0	111.4
2398	R	34.8	Very low	30.3	Very low	198 Å²	198	135.2 Å²	135.2	75%	0.747	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-84.2	121.8	-162.8	-69.6	-176.6	180	-179.1	-0.5	113.5	F2394	F2394-R2398 PolarHBondContact O-NE 2.78Å; F2394-R2398 PolarHBondContact O-NH2 2.85Å
2399	F	27.9	Very low	30.6	Very low	178 Å²	178	131.3 Å²	131.3	78%	0.781	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-59.7	133.8	138.9	-100.3	-80.3	0	0	0	108.8	R2403	F2399-R2403 VanDerWaalsContact CE1-CZ 3.44Å
2400	G	32.2	Very low	30.5	Very low	70 Å²	70	132.2 Å²	132.2	72%	0.722	74%	0.738	S	S	*	*			trans	163.6	114.4	176.1	0	0	0	0	0	110.6
2401	S	31.6	Very low	30.7	Very low	106 Å²	106	135.9 Å²	135.9	74%	0.741	74%	0.742	S	S	*	*	S	Bend	cis	-151.8	164.9	-5.6	-154.5	0	0	0	0	110.5
2402	L	36.8	Very low	30.6	Very low	155 Å²	155	134.9 Å²	134.9	81%	0.812	73%	0.731	S	S	*	*			trans	47	96	165.4	-59.9	165.9	0	0	0	116.1
2403	R	29.2	Very low	30.4	Very low	187 Å²	187	135 Å²	135	71%	0.706	73%	0.731	S	S	*	*			cis	57.6	138.2	26	-111.8	-173.3	179.5	169.8	1.8	112.7	F2399	F2399-R2403 VanDerWaalsContact CE1-CZ 3.44Å
2404	A	29.9	Very low	30.2	Very low	80 Å²	80	137.3 Å²	137.3	66%	0.661	74%	0.738	S	S	*	*			cis	-151.3	131.7	5.6	0	0	0	0	0	107.3
2405	S	29	Very low	30.1	Very low	91 Å²	91	136.5 Å²	136.5	64%	0.636	75%	0.747	S	S	*	*				92.6	125.1	77.3	-67.5	0	0	0	0	114.2
2406	Y	28.1	Very low	29.4	Very low	208 Å²	208	136.2 Å²	136.2	82%	0.816	75%	0.75	S	S	*	*			trans	70	151.2	144.2	-75.2	-130.4	0	0	0	117.7
2407	H	29	Very low	29.3	Very low	149 Å²	149	135.5 Å²	135.5	69%	0.69	75%	0.751	S	S	*	*			cis	-163.6	150.2	-30.2	-136.4	-77.6	0	0	0	108.8
2408	S	27.6	Very low	29.2	Very low	104 Å²	104	138 Å²	138	73%	0.727	75%	0.746	S	S	*	*			trans	33	107.8	155.3	-60.2	0	0	0	0	121
2409	A	31.6	Very low	28.7	Very low	106 Å²	106	135.2 Å²	135.2	88%	0.876	75%	0.746	S	S	*	*			trans	-150	138.4	137.1	0	0	0	0	0	109.8
2410	T	28	Very low	28.7	Very low	145 Å²	145	132.2 Å²	132.2	89%	0.89	75%	0.747	S	S	*	*			trans	-114.6	141.1	173.3	38.3	0	0	0	0	110.7
2411	Q	30	Very low	28.2	Very low	195 Å²	195	134 Å²	134	91%	0.911	75%	0.748	S	S	*	*			trans	-138.1	172.8	164.2	-105.7	-174.7	-11.6	0	0	110
2412	F	29.3	Very low	28	Very low	135 Å²	135	134.7 Å²	134.7	59%	0.592	75%	0.748	S	S	*	*			trans	-100.9	145.9	-165.5	-88.4	-115.4	0	0	0	113.5	L374	L374-F2412 HydrophobicContact CB-CE1 4.27Å; L374-F2412 HydrophobicContact CB-CZ 4.43Å; L374-F2412 HydrophobicContact CD1-CE1 4Å; L374-F2412 HydrophobicContact CD1-CZ 3.67Å
2413	L	25.5	Very low	27.4	Very low	141 Å²	141	136 Å²	136	74%	0.738	75%	0.747	S	S	*	*			trans	62.2	148	142.5	-71.3	171.4	0	0	0	121.9
2414	N	27	Very low	27.4	Very low	142 Å²	142	134.1 Å²	134.1	76%	0.759	75%	0.748	S	S	*	*			trans	66.1	140.1	162.9	-61.8	-1	0	0	0	117.8
2415	S	27	Very low	27.3	Very low	97 Å²	97	134.8 Å²	134.8	68%	0.678	74%	0.744	S	S	*	*			cis	-167.3	145	-16.8	45.7	0	0	0	0	110.5
2416	N	26.9	Very low	27.3	Very low	140 Å²	140	139.3 Å²	139.3	75%	0.749	75%	0.752	S	S	*	*			trans	38.7	126.1	150.6	-73.5	4	0	0	0	121.7
2417	L	27.2	Very low	27.2	Very low	143 Å²	143	133.7 Å²	133.7	75%	0.749	75%	0.749	S	S	*	*			trans	65.3	142	135.9	-56.4	170.2	0	0	0	117.8
2418	D	23.9	Very low	27	Very low	129 Å²	129	136.6 Å²	136.6	69%	0.69	75%	0.754	S	S	*	*			cis	-161.8	167.9	-13.9	-131.7	-5.8	0	0	0	109.7
2419	N	25.4	Very low	27	Very low	139 Å²	139	138.2 Å²	138.2	74%	0.743	75%	0.75	S	S	*	*			trans	65.5	157.5	166.9	-72	-62.7	0	0	0	119.7
2420	S	27.4	Very low	26.8	Very low	115 Å²	115	140.8 Å²	140.8	80%	0.804	74%	0.744	S	S	*	*			trans	62.4	124	-177.3	69.2	0	0	0	0	115.3
2421	S	22.8	Very low	26.7	Very low	107 Å²	107	137.6 Å²	137.6	75%	0.748	73%	0.732	S	S	*	*			cis	82.1	123.8	38.6	-164.2	0	0	0	0	114.1
2422	V	25.6	Very low	27	Very low	120 Å²	120	133 Å²	133	73%	0.727	72%	0.72	S	S	*	*			trans	75.2	107.9	159	169.9	0	0	0	0	118.7
2423	K	26	Very low	26.9	Very low	183 Å²	183	135.7 Å²	135.7	80%	0.796	73%	0.731	S	S	*	*			trans	83.5	152.1	138.5	-88.6	176.8	-172.2	170.5	0	122.7
2424	M	27.4	Very low	27	Very low	147 Å²	147	133.2 Å²	133.2	72%	0.724	73%	0.725	S	S	*	*			trans	80	86.8	150	-72.8	-41.4	-168.5	0	0	122.1
2425	T	28.6	Very low	27.1	Very low	95 Å²	95	130.8 Å²	130.8	58%	0.583	72%	0.716	S	S	*	*				95.5	146.1	109.2	42.5	0	0	0	0	125.3
2426	F	29.6	Very low	27.2	Very low	185 Å²	185	134.6 Å²	134.6	81%	0.811	72%	0.721	S	S	*	*			trans	50.3	127.7	150.8	-55.6	-47.2	0	0	0	119.3
2427	A	24.7	Very low	27.1	Very low	90 Å²	90	134.2 Å²	134.2	74%	0.744	72%	0.717	S	S	*	*			cis	65.1	119.5	6.4	0	0	0	0	0	118.9
2428	R	26.1	Very low	27	Very low	210 Å²	210	132.8 Å²	132.8	79%	0.792	71%	0.714	S	S	*	*			trans	106.9	102.1	144.9	-165	-177.3	172.9	169.4	-1.5	120.2
2429	Q	27.6	Very low	27.1	Very low	138 Å²	138	134 Å²	134	65%	0.645	72%	0.716	S	S	*	*			trans	71	165.9	142.5	-63.7	172.3	-5.8	0	0	117.2
2430	Q	26.4	Very low	27.3	Very low	160 Å²	160	133.8 Å²	133.8	75%	0.748	72%	0.715	S	S	*	*			cis	-160	160.7	5.2	-140.1	173.8	95.3	0	0	114
2431	A	26.6	Very low	27.4	Very low	78 Å²	78	133 Å²	133	65%	0.645	71%	0.709	S	S	*	*			trans	82.1	177.9	140.8	0	0	0	0	0	120
2432	P	35.4	Very low	27.6	Very low	100 Å²	100	135.8 Å²	135.8	65%	0.649	72%	0.716	S	S	*	*				-149	-168.8	-75	47.6	-31.4	0	0	0	117.8
2433	K	28.9	Very low	27.7	Very low	191 Å²	191	133.3 Å²	133.3	83%	0.83	71%	0.714	S	S	*	*			trans	78	159.5	148.4	-76.3	175.8	-171.8	176.2	0	119.7
2434	S	27.1	Very low	27.8	Very low	88 Å²	88	129.6 Å²	129.6	62%	0.615	71%	0.711	S	S	*	*			cis	-176.8	168.6	-26.2	56.9	0	0	0	0	114.3
2435	T	28.2	Very low	27.7	Very low	91 Å²	91	130.4 Å²	130.4	56%	0.558	71%	0.713	S	S	*	*			trans	70	155.2	156.8	-4.9	0	0	0	0	116.1	I2437	T2435-I2437 HydrophobicContact CG2-CD1 4.15Å
2436	F	30.4	Very low	27.7	Very low	178 Å²	178	131 Å²	131	78%	0.781	72%	0.721	S	S	*	*			cis	-127.5	166.9	4.3	-77.8	-98.1	0	0	0	110.8
2437	I	24.4	Very low	27.6	Very low	131 Å²	131	131.2 Å²	131.2	67%	0.672	72%	0.716	S	S	*	*			cis	77.9	127.4	29.7	-67.6	171.8	0	0	0	110.5	T2435	T2435-I2437 HydrophobicContact CG2-CD1 4.15Å
2438	T	24.7	Very low	27.8	Very low	113 Å²	113	134.1 Å²	134.1	69%	0.693	71%	0.714	S	S	*	*			cis	-158.4	174.4	17.7	-10.3	0	0	0	0	113.4
2439	Q	26.7	Very low	28	Very low	155 Å²	155	128.3 Å²	128.3	72%	0.724	71%	0.705	S	S	*	*			trans	89.8	141.8	138.2	-90.3	175.6	29.6	0	0	123.4
2440	N	28.9	Very low	28.1	Very low	134 Å²	134	128.7 Å²	128.7	72%	0.717	71%	0.712	S	S	*	*			trans	70	141.7	154.9	-57.6	-17.4	0	0	0	119.9
2441	S	29.9	Very low	28.4	Very low	98 Å²	98	125 Å²	125	69%	0.685	70%	0.702	S	S	*	*			cis	-164.2	160.4	-21.1	48.4	0	0	0	0	111.7
2442	N	26.3	Very low	29	Very low	166 Å²	166	129.1 Å²	129.1	89%	0.888	71%	0.711	S	S	*	*			trans	19.2	135.9	151.4	-53.5	-15.3	0	0	0	121.7
2443	G	28.8	Very low	28.8	Very low	68 Å²	68	133.2 Å²	133.2	70%	0.701	71%	0.714	S	S	*	*			trans	153	56.3	163.6	0	0	0	0	0	115
2444	S	27.2	Very low	29	Very low	105 Å²	105	131.2 Å²	131.2	73%	0.734	71%	0.707	S	S	*	*				68.9	123.5	82.3	79.5	0	0	0	0	116.2
2445	Q	25.7	Very low	29.5	Very low	164 Å²	164	130.4 Å²	130.4	77%	0.766	71%	0.706	S	S	*	*			trans	51.4	111.4	152	-55.4	-176.6	29.2	0	0	119.7
2446	C	28.5	Very low	30.1	Very low	109 Å²	109	131 Å²	131	74%	0.736	70%	0.701	S	S	*	*				-158.9	139.2	100.4	-95.6	0	0	0	0	108.8
2447	R	27.5	Very low	30.5	Very low	188 Å²	188	126.2 Å²	126.2	71%	0.709	68%	0.683	S	S	*	*				59.9	132.7	70.3	-64.1	-174.5	165.4	-171.7	-0.4	111.8
2448	H	29	Very low	30.7	Very low	151 Å²	151	122 Å²	122	70%	0.699	67%	0.665	S	S	*	*			cis	-155.2	-145.1	-3.8	-118.9	-39.4	0	0	0	108.1
2449	S	29.8	Very low	30.9	Very low	88 Å²	88	119.3 Å²	119.3	62%	0.615	65%	0.646	S	S	*	*				32.3	121.3	129.7	60	0	0	0	0	119
2450	D	29.8	Very low	31	Very low	147 Å²	147	114.1 Å²	114.1	79%	0.786	62%	0.623	S	S	*	*			cis	-156.9	160.7	-1.4	-104.6	-45.2	0	0	0	111
2451	P	31.9	Very low	31.3	Very low	83 Å²	83	110.7 Å²	110.7	54%	0.539	61%	0.608	S	S	.	*			trans	-77	139.9	170.1	33.8	-30.4	0	0	0	109.5	R2453	P2451-R2453 HydrophobicContact CB-CG 4.5Å
2452	I	41	Very low	31.5	Very low	164 Å²	164	115.9 Å²	115.9	84%	0.841	61%	0.612	S	S	*	*			trans	-144.7	103.2	137	-94.3	127.2	0	0	0	105.8
2453	R	29.9	Very low	32	Very low	185 Å²	185	111.5 Å²	111.5	70%	0.698	59%	0.591	S	S	*	*				72.4	125.8	65.3	-73.4	-168	176.5	-166.9	1.7	113.3	P2451	P2451-R2453 HydrophobicContact CB-CG 4.5Å
2454	H	33.2	Very low	32.5	Very low	149 Å²	149	113.3 Å²	113.3	69%	0.69	59%	0.589	S	S	*	*			trans	50.5	90.9	155	-49.3	-54.1	0	0	0	118.6
2455	A	38.9	Very low	32.5	Very low	72 Å²	72	112.4 Å²	112.4	60%	0.595	58%	0.582	S	S	*	*				-159.9	139.9	116.5	0	0	0	0	0	107.3
2456	K	40	Very low	32.5	Very low	102 Å²	102	105.4 Å²	105.4	44%	0.443	55%	0.552	S	S	.	*			cis	41.7	103.5	42.4	178.7	-152.2	-174	-177.9	0	109.2	Q691	Q691-K2456 VanDerWaalsContact O-CD 3.3Å; Q691-K2456 WeakPolarHBondContact O-CD 3.3Å; Q691-K2456 WeakPolarHBondContact O-CG 3.36Å
2457	I	39.3	Very low	32.3	Very low	78 Å²	78	105.3 Å²	105.3	40%	0.4	55%	0.547	S	S	.	.			trans	78.1	95	-175	-110.5	169.5	0	0	0	107.2	I1955 H1956	I1955-I2457 HydrophobicContact CB-CG1 4.32Å; I1955-I2457 HydrophobicContact CB-CG2 4.48Å; I1955-I2457 HydrophobicContact CD1-CB 4.13Å; I1955-I2457 HydrophobicContact CD1-CG2 3.32Å; I1955-I2457 VanDerWaalsContact CG1-C 3.48Å; I1955-I2457 HydrophobicContact CG1-CB 3.76Å; I1955-I2457 HydrophobicContact CG1-CG1 3.87Å; I1955-I2457 HydrophobicContact CG1-CG2 3.51Å; I1955-I2457 HydrophobicContact CG2-CB 4.5Å; I1955-I2457 HydrophobicContact CG2-CD1 3.99Å; I1955-I2457 HydrophobicContact CG2-CG1 3.83Å; I1955-I2457 HydrophobicContact CG2-CG2 4.19Å; H1956-I2457 HydrophobicContact CB-CB 4.38Å; H1956-I2457 HydrophobicContact CB-CD1 4.09Å; H1956-I2457 HydrophobicContact CB-CG1 3.23Å
2458	S	27.4	Very low	32.6	Very low	44 Å²	44	99.8 Å²	99.8	31%	0.308	54%	0.535	S	S	.	.			cis	-80.4	151.2	10.8	-73.3	0	0	0	0	116.2	I1954 I1955 D2460	I1954-S2458 WeakPolarHBondContact CG1-OG 3.43Å; I1955-S2458 PolarHBondContact N-OG 3.02Å; S2458-D2460 PolarHBondContact OG-O 3.26Å
2459	N	29.7	Very low	33.6	Very low	56 Å²	56	98.9 Å²	98.9	30%	0.299	54%	0.542	S	S	.	.	S	Bend	cis	51.8	104.1	-16.1	-71.1	-113.1	0	0	0	111.5	Q687 I1955 H1956 L1957 P1958	Q687-N2459 PolarHBondContact O-N 3.35Å; I1955-N2459 VanDerWaalsContact CA-O 3.27Å; I1955-N2459 WeakPolarHBondContact CA-O 3.35Å; H1956-N2459 WeakPolarHBondContact CA-O 3.38Å; H1956-N2459 HydrophobicContact CB-CB 3.34Å; H1956-N2459 WeakPolarHBondContact CB-O 3.34Å; H1956-N2459 VanDerWaalsContact CD2-C 3.43Å; H1956-N2459 WeakPolarHBondContact CD2-CA 3.32Å; H1956-N2459 WeakPolarHBondContact CD2-CB 3.5Å; H1956-N2459 VanDerWaalsContact CD2-CG 3.46Å; H1956-N2459 PolarHBondContact CD2-N 3.44Å; H1956-N2459 VanDerWaalsContact CE1-C 3.43Å; H1956-N2459 WeakPolarHBondContact CE1-CA 3.27Å; H1956-N2459 WeakPolarHBondContact CE1-CB 3.38Å; H1956-N2459 PolarHBondContact CE1-N 2.89Å; H1956-N2459 VanDerWaalsContact CE1-N 3.31Å; H1956-N2459 PolarHBondContact CE1-ND2 2.9Å; H1956-N2459 VanDerWaalsContact CE1-ND2 3.34Å; H1956-N2459 PolarHBondContact CE1-OD1 3.33Å; H1956-N2459 WeakPolarHBondContact ND1-CA 3.25Å; H1956-N2459 WeakPolarHBondContact ND1-CB 3.38Å; H1956-N2459 PolarHBondContact ND1-O 2.84Å; H1956-N2459 WeakPolarHBondContact NE2-CA 3.31Å; H1956-N2459 WeakPolarHBondContact NE2-CB 3.42Å; H1956-N2459 PolarHBondContact NE2-N 2.95Å; H1956-N2459 PolarHBondContact NE2-ND2 3.14Å; L1957-N2459 HydrophobicContact CB-CB 3.92Å; P1958-N2459 WeakPolarHBondContact CD-OD1 3.46Å; P1958-N2459 WeakPolarHBondContact CG-OD1 3.19Å
2460	D	29.3	Very low	33.5	Very low	45 Å²	45	99 Å²	99	24%	0.241	54%	0.536	C	S	.	.	S	Bend	trans	75.8	166.3	154	-149.9	23.3	0	0	0	121.9	R683 I1955 H1956 L1957 S2458	R683-D2460 IonicContact CZ-OD2 2.86Å; R683-D2460 IonicContact NE-OD2 3.65Å; R683-D2460 IonicContact NH2-OD2 3.87Å; R683-D2460 PolarHBondContact NH2-OD2 2.92Å; I1955-D2460 PolarHBondContact N-O 2.84Å; H1956-D2460 HydrophobicContact CB-CB 4.3Å; H1956-D2460 PolarHBondContact ND1-N 3.18Å; L1957-D2460 HydrophobicContact CD1-CB 3.7Å; L1957-D2460 HydrophobicContact CD2-CB 4.09Å; L1957-D2460 VanDerWaalsContact CD2-CG 3.47Å; L1957-D2460 WeakPolarHBondContact CD2-OD2 3.48Å; L1957-D2460 HydrophobicContact CG-CB 3.71Å; S2458-D2460 PolarHBondContact OG-O 3.26Å
2461	T	34.1	Very low	33.6	Very low	63 Å²	63	97.6 Å²	97.6	39%	0.387	53%	0.527	S	S	.	.	S	Bend	trans	30.6	112.8	156.3	42.2	0	0	0	0	116.7	R683 I1954 I1955	R683-T2461 PolarHBondContact NH2-OG1 3.27Å; I1954-T2461 CarbonylContact C-O 3.5Å; I1954-T2461 WeakPolarHBondContact CA-O 3.32Å; I1954-T2461 PolarHBondContact N-O 3.37Å; I1955-T2461 PolarHBondContact O-OG1 2.72Å
2462	R	34	Very low	33.3	Very low	207 Å²	207	101 Å²	101	78%	0.781	54%	0.536	S	S	*	.	S	Bend	trans	66	147.9	166.3	-62.8	173.2	168	170.5	-6.2	113.7	S1952 R1953 I1954	S1952-R2462 WeakPolarHBondContact O-CB 3.13Å; R1953-R2462 CarbonylContact C-O 3.52Å; I1954-R2462 VanDerWaalsContact N-C 3.3Å; I1954-R2462 PolarHBondContact N-O 3.08Å
2463	T	36.7	Very low	32.7	Very low	73 Å²	73	99.6 Å²	99.6	45%	0.448	53%	0.53	S	S	.	.			trans	-92.4	-111.9	-158.6	60.4	0	0	0	0	118.7	P1951 R1953	P1951-T2463 WeakPolarHBondContact CB-OG1 3.12Å; P1951-T2463 WeakPolarHBondContact CG-OG1 3.16Å; R1953-T2463 VanDerWaalsContact CA-O 3.3Å; R1953-T2463 WeakPolarHBondContact CA-O 3.47Å; R1953-T2463 WeakPolarHBondContact CG-O 3.23Å; R1953-T2463 PolarHBondContact N-O 3.4Å
2464	V	38.7	Very low	32.6	Very low	106 Å²	106	94.7 Å²	94.7	64%	0.642	52%	0.524	S	S	*	.	S	Bend	trans	-115	-72.8	-145.5	-75.1	0	0	0	0	119.8	S1952 R1953	S1952-V2464 PolarHBondContact OG-N 2.72Å; S1952-V2464 VanDerWaalsContact OG-N 3.1Å; R1953-V2464 WeakPolarHBondContact CG-O 3.49Å; R1953-V2464 PolarHBondContact NE-O 2.75Å
2465	S	28	Very low	32.4	Very low	86 Å²	86	93.7 Å²	93.7	60%	0.601	52%	0.524	S	S	*	.			trans	-130.8	115.1	178.2	-163.1	0	0	0	0	113	S1952 V2467	S1952-S2465 WeakPolarHBondContact OG-CA 3.38Å; S1952-S2465 PolarHBondContact OG-N 3.36Å; S1952-S2465 PolarHBondContact OG-O 3.06Å; S2465-V2467 PolarHBondContact OG-N 3.36Å
2466	S	25.4	Very low	32.1	Very low	18 Å²	18	98.1 Å²	98.1	13%	0.126	54%	0.538	C	S	.	.			cis	41.1	75	-4.2	-167.1	0	0	0	0	115.9	R1953 V2468	R1953-S2466 WeakPolarHBondContact CB-OG 3.17Å; R1953-S2466 VanDerWaalsContact CD-O 3.23Å; R1953-S2466 WeakPolarHBondContact CD-O 3.49Å; R1953-S2466 WeakPolarHBondContact CD-OG 3.05Å; R1953-S2466 PolarHBondContact NE-O 2.97Å; R1953-S2466 PolarHBondContact NH2-O 3.15Å; S2466-V2468 VanDerWaalsContact CA-CG1 3.45Å
2467	V	24.9	Very low	32.1	Very low	106 Å²	106	97.1 Å²	97.1	64%	0.642	54%	0.537	S	S	*	.			cis	-123.3	114.7	49	171.3	0	0	0	0	106.9	S2465	S2465-V2467 PolarHBondContact OG-N 3.36Å
2468	V	34.4	Very low	31.6	Very low	73 Å²	73	98.1 Å²	98.1	44%	0.442	54%	0.543	S	S	.	.	S	Bend	cis	52.7	122.1	25.6	106.5	0	0	0	0	112.9	S2466 N2470	S2466-V2468 VanDerWaalsContact CA-CG1 3.45Å; V2468-N2470 HydrophobicContact CG1-CB 3.5Å; V2468-N2470 WeakPolarHBondContact O-CB 3.29Å
2469	P	50.2	Low	31.6	Very low	131 Å²	131	100.6 Å²	100.6	85%	0.851	56%	0.56	S	S	*	*			trans	-89.3	94.1	138.7	-7.9	26.8	0	0	0	104.6
2470	N	27.3	Very low	31.6	Very low	92 Å²	92	102.2 Å²	102.2	49%	0.492	58%	0.581	S	S	.	*			cis	63.1	128	41.3	-146.8	24.1	0	0	0	111.8	V2468	V2468-N2470 HydrophobicContact CG1-CB 3.5Å; V2468-N2470 WeakPolarHBondContact O-CB 3.29Å
2471	L	30.6	Very low	31.5	Very low	116 Å²	116	104.6 Å²	104.6	61%	0.607	60%	0.602	S	S	*	*			trans	65.2	127.7	-175.1	-80.5	66.3	0	0	0	111.3
2472	Q	27.1	Very low	31.5	Very low	155 Å²	155	106.9 Å²	106.9	72%	0.724	61%	0.61	S	S	*	*				58.5	123.4	71	-59.1	168	15.9	0	0	109.4
2473	N	27.9	Very low	31.8	Very low	134 Å²	134	105.4 Å²	105.4	72%	0.717	61%	0.612	S	S	*	*			cis	-162.5	164.5	24.8	-129.3	1.5	0	0	0	111.5
2474	S	27.7	Very low	31.6	Very low	82 Å²	82	107.7 Å²	107.7	57%	0.573	63%	0.627	S	S	*	*			trans	46.1	123.6	137.1	76.3	0	0	0	0	118.5
2475	N	28.1	Very low	31.7	Very low	128 Å²	128	107.6 Å²	107.6	68%	0.684	63%	0.628	S	S	*	*			cis	-170.3	168.8	30.7	-84.3	-43.8	0	0	0	110.1	N2477	N2475-N2477 VanDerWaalsContact CB-ND2 3.3Å; N2475-N2477 WeakPolarHBondContact CB-ND2 3.5Å; N2475-N2477 PolarHBondContact O-N 3.2Å; N2475-N2477 PolarHBondContact O-ND2 3.1Å; N2475-N2477 VanDerWaalsContact O-ND2 3.08Å
2476	N	32.5	Very low	32	Very low	165 Å²	165	107.1 Å²	107.1	88%	0.882	63%	0.629	S	S	*	*	S	Bend	trans	-46	83.2	170.5	-49.4	-12.8	0	0	0	115
2477	N	41.3	Very low	32.1	Very low	82 Å²	82	115 Å²	115	44%	0.439	66%	0.662	S	S	.	*			trans	-156.8	171	-176.3	-60.7	-80.4	0	0	0	112.8	N2475 P2491	N2475-N2477 VanDerWaalsContact CB-ND2 3.3Å; N2475-N2477 WeakPolarHBondContact CB-ND2 3.5Å; N2475-N2477 PolarHBondContact O-N 3.2Å; N2475-N2477 PolarHBondContact O-ND2 3.1Å; N2475-N2477 VanDerWaalsContact O-ND2 3.08Å; N2477-P2491 WeakPolarHBondContact OD1-CB 3.03Å
2478	L	29.2	Very low	32.4	Very low	98 Å²	98	115.9 Å²	115.9	51%	0.513	67%	0.667	S	S	.	*			trans	68	146.5	172.2	-46.1	-176.3	0	0	0	115.5
2479	S	27.2	Very low	32.1	Very low	96 Å²	96	117.8 Å²	117.8	67%	0.671	68%	0.681	S	S	*	*	S	Bend	cis	83.4	156.8	9.1	93.6	0	0	0	0	118.9
2480	A	28.3	Very low	31.2	Very low	90 Å²	90	116 Å²	116	74%	0.744	67%	0.669	S	S	*	*	S	Bend	trans	-74	162.8	157	0	0	0	0	0	110
2481	S	27	Very low	31.6	Very low	95 Å²	95	115 Å²	115	66%	0.664	67%	0.668	S	S	*	*			trans	59.8	115.5	-166.4	-61.8	0	0	0	0	112.4
2482	I	35.4	Very low	31.8	Very low	112 Å²	112	113.4 Å²	113.4	57%	0.574	67%	0.665	S	S	*	*			cis	-127.5	126.1	8.3	-59.9	-178.9	0	0	0	105.6
2483	Q	39.4	Very low	32	Very low	175 Å²	175	114.1 Å²	114.1	82%	0.818	67%	0.668	S	S	*	*				56.4	163.3	81.2	-122.7	177.5	4.7	0	0	113.1
2484	T	33.8	Very low	32.1	Very low	122 Å²	122	113 Å²	113	75%	0.748	67%	0.666	S	S	*	*	S	Bend	trans	-49.3	128.8	154.2	46.8	0	0	0	0	109.3
2485	P	39.7	Very low	32.2	Very low	103 Å²	103	115.1 Å²	115.1	67%	0.669	68%	0.675	S	S	*	*				-155.4	-161.3	85.8	35.2	-11.1	0	0	0	113.8
2486	A	34.3	Very low	32.3	Very low	76 Å²	76	113.8 Å²	113.8	63%	0.628	67%	0.671	S	S	*	*	S	Bend	trans	-73	168.9	153.3	0	0	0	0	0	111.1
2487	F	28	Very low	32	Very low	185 Å²	185	112.7 Å²	112.7	81%	0.811	66%	0.661	S	S	*	*	S	Bend	trans	73.8	127.8	178.8	-69.4	-101.2	0	0	0	117.8
2488	T	30.8	Very low	31.4	Very low	124 Å²	124	115.9 Å²	115.9	76%	0.761	67%	0.671	S	S	*	*			trans	65.3	-164.9	143.7	66.1	0	0	0	0	116.5
2489	P	28.3	Very low	31.3	Very low	113 Å²	113	117.5 Å²	117.5	73%	0.734	68%	0.678	S	S	*	*				-117	-107.3	-116.6	27.1	-1.1	0	0	0	119.6
2490	P	30.9	Very low	31.3	Very low	93 Å²	93	118.5 Å²	118.5	60%	0.604	68%	0.675	S	S	*	*				-118.4	-130.6	-123.4	40.7	-19.6	0	0	0	116.5
2491	P	35.9	Very low	31.3	Very low	71 Å²	71	118.2 Å²	118.2	46%	0.461	67%	0.668	S	S	.	*			trans	-127.8	-143.9	-134.9	41.6	-16.2	0	0	0	111.9	N2477	N2477-P2491 WeakPolarHBondContact OD1-CB 3.03Å
2492	P	34.5	Very low	31.4	Very low	83 Å²	83	119.5 Å²	119.5	54%	0.539	67%	0.668	S	S	.	*			cis	-143	-170.9	-10.9	37.3	-14.3	0	0	0	117.2
2493	Q	31.4	Very low	31.1	Very low	169 Å²	169	121.1 Å²	121.1	79%	0.79	67%	0.671	S	S	*	*			trans	71.4	154.9	138.4	-84.2	162.1	7.9	0	0	122.3
2494	T	29.9	Very low	30.6	Very low	112 Å²	112	122 Å²	122	69%	0.687	67%	0.672	S	S	*	*			cis	-174.3	172.6	-30.5	25.9	0	0	0	0	112.1
2495	V	30.1	Very low	30.2	Very low	125 Å²	125	120.7 Å²	120.7	76%	0.758	67%	0.668	S	S	*	*			trans	90	145.3	132	139.3	0	0	0	0	119.4
2496	V	29.4	Very low	29.6	Very low	100 Å²	100	122.2 Å²	122.2	61%	0.606	67%	0.669	S	S	*	*			cis	-171.4	145.5	-28.9	74.5	0	0	0	0	106.5
2497	Q	28.1	Very low	29.2	Very low	142 Å²	142	126.8 Å²	126.8	66%	0.664	68%	0.677	S	S	*	*				-171.7	158	70	-72.9	-173.6	28.2	0	0	108.7
2498	K	28.5	Very low	29	Very low	150 Å²	150	121.9 Å²	121.9	65%	0.652	67%	0.671	S	S	*	*			cis	-147.8	128.1	-1.6	-116.2	154.3	178.6	156.7	0	106.6
2499	M	26.4	Very low	28.6	Very low	131 Å²	131	123.4 Å²	123.4	65%	0.645	68%	0.675	S	S	*	*				59.9	135.1	98.1	-60.8	179.8	136.3	0	0	115.4
2500	D	27.9	Very low	28.4	Very low	117 Å²	117	122.2 Å²	122.2	63%	0.626	67%	0.674	S	S	*	*			cis	178.2	166.9	-15.9	-107.8	-47.1	0	0	0	106.5
2501	S	28	Very low	28.1	Very low	85 Å²	85	125.3 Å²	125.3	59%	0.594	69%	0.685	S	S	*	*				-165.1	172.9	-53.3	47.4	0	0	0	0	108.4
2502	D	29	Very low	27.5	Very low	122 Å²	122	128.2 Å²	128.2	65%	0.652	70%	0.701	S	S	*	*			trans	67.5	143.5	166.6	-80.8	13.2	0	0	0	120.1
2503	K	29	Very low	27.1	Very low	146 Å²	146	129 Å²	129	64%	0.635	71%	0.708	S	S	*	*			cis	-166.8	129	-16.6	-125.9	178.5	-166	79.5	0	109.6
2504	F	27.6	Very low	26.7	Very low	192 Å²	192	126.2 Å²	126.2	84%	0.842	71%	0.708	S	S	*	*				177.8	133.4	110.3	-110.4	-78.4	0	0	0	113.3	I2506	F2504-I2506 PolarHBondContact O-N 2.89Å
2505	S	26	Very low	26.6	Very low	95 Å²	95	124.6 Å²	124.6	66%	0.664	71%	0.714	S	S	*	*			trans	-33.9	123.2	171	-74.2	0	0	0	0	115.3
2506	I	27.6	Very low	26.3	Very low	135 Å²	135	124 Å²	124	69%	0.692	70%	0.703	S	S	*	*				77.6	113	84.7	-77.3	165.6	0	0	0	111	F2504	F2504-I2506 PolarHBondContact O-N 2.89Å
2507	Q	25	Very low	25.9	Very low	172 Å²	172	125.8 Å²	125.8	80%	0.804	71%	0.713	S	S	*	*				68.2	141.1	77.4	-84.8	176.7	-10.9	0	0	112.6
2508	A	23.8	Very low	25.7	Very low	83 Å²	83	123.6 Å²	123.6	69%	0.686	70%	0.701	S	S	*	*			cis	-151.3	-178.9	-1	0	0	0	0	0	112.6
2509	N	22.5	Very low	25.4	Very low	156 Å²	156	122.7 Å²	122.7	83%	0.834	70%	0.703	S	S	*	*			trans	-41.4	155.9	157.6	-47.2	-38.4	0	0	0	112.1
2510	A	24.7	Very low	25.2	Very low	88 Å²	88	127.6 Å²	127.6	73%	0.727	71%	0.714	S	S	*	*				147.5	164.8	87.2	0	0	0	0	0	106.9
2511	L	24	Very low	25.1	Very low	158 Å²	158	131 Å²	131	83%	0.827	72%	0.718	S	S	*	*			cis	-165.3	178.8	-12.7	-118.3	172.3	0	0	0	108.7
2512	V	24.9	Very low	24.8	Very low	132 Å²	132	131 Å²	131	80%	0.8	71%	0.709	S	S	*	*			trans	67.4	134.2	156.7	160.9	0	0	0	0	117.9
2513	S	24.3	Very low	24.5	Very low	98 Å²	98	128.1 Å²	128.1	69%	0.685	70%	0.698	S	S	*	*			cis	-161.8	171.4	-18.4	-167.7	0	0	0	0	110.7
2514	S	23.9	Very low	24.2	Very low	111 Å²	111	123.7 Å²	123.7	78%	0.776	68%	0.68	S	S	*	*			trans	39.4	125.1	154.6	61.7	0	0	0	0	121.1
2515	G	27	Very low	23.9	Very low	79 Å²	79	120.1 Å²	120.1	81%	0.814	66%	0.661	S	S	*	*			trans	175.6	38.6	173.8	0	0	0	0	0	115.3	V2517	G2515-V2517 PolarHBondContact O-N 2.64Å
2516	Q	23.9	Very low	23.8	Very low	113 Å²	113	125 Å²	125	53%	0.528	67%	0.67	S	S	.	*			trans	-80.6	116.2	-176.3	-104.6	177.9	-15.2	0	0	112.2	Q87	Q87-Q2516 VanDerWaalsContact CD-CD 3.47Å; Q87-Q2516 HydrophobicContact CG-CG 4.31Å; Q87-Q2516 VanDerWaalsContact OE1-CB 3.31Å
2517	V	22.4	Very low	23.7	Very low	136 Å²	136	121.4 Å²	121.4	82%	0.824	66%	0.661	S	S	*	*			trans	-140.5	135.8	161.1	175.4	0	0	0	0	108.3	G2515 L2519	G2515-V2517 PolarHBondContact O-N 2.64Å; V2517-L2519 PolarHBondContact O-N 2.68Å
2518	K	22.2	Very low	23.7	Very low	96 Å²	96	117.6 Å²	117.6	42%	0.417	65%	0.649	S	S	.	*			trans	-70.6	92	-173	-60.7	173.7	71.6	158.4	0	113.2	D85	D85-K2518 VanDerWaalsContact C-NZ 3.29Å; D85-K2518 WeakPolarHBondContact O-CD 3.25Å; D85-K2518 WeakPolarHBondContact O-CE 3.22Å; D85-K2518 PolarHBondContact O-NZ 2.95Å; D85-K2518 WeakPolarHBondContact OD2-CE 3.44Å; D85-K2518 IonicContact OD2-NZ 2.86Å; D85-K2518 PolarHBondContact OD2-NZ 2.91Å
2519	L	24.1	Very low	23.7	Very low	132 Å²	132	121.9 Å²	121.9	69%	0.691	66%	0.655	S	S	*	*			trans	-77	128.2	136.8	-67.5	169	0	0	0	105.8	V2517 R2521	V2517-L2519 PolarHBondContact O-N 2.68Å; L2519-R2521 HydrophobicContact CB-CG 4.11Å
2520	R	21.4	Very low	23.8	Very low	234 Å²	234	122.9 Å²	122.9	88%	0.883	65%	0.654	S	S	*	*			cis	50.9	59.6	30.2	-142.5	174.1	-164.9	166.3	7.2	112.5
2521	R	25.4	Very low	23.7	Very low	188 Å²	188	123.8 Å²	123.8	71%	0.709	65%	0.65	S	S	*	*			trans	-109.1	141.7	158.9	-69.1	-172.9	173	156.7	1	108.2	L2519 S2523	L2519-R2521 HydrophobicContact CB-CG 4.11Å; R2521-S2523 VanDerWaalsContact CD-OG 3.25Å; R2521-S2523 WeakPolarHBondContact CD-OG 3.31Å; R2521-S2523 VanDerWaalsContact CG-OG 3.31Å; R2521-S2523 WeakPolarHBondContact CG-OG 3.34Å
2522	H	22.2	Very low	23.8	Very low	85 Å²	85	123.2 Å²	123.2	39%	0.394	65%	0.653	S	S	.	*			cis	53	66.4	-6.6	-111	-21.3	0	0	0	117.6	E1235 K1239 L1330	E1235-H2522 IonicContact OE1-CE1 3.6Å; E1235-H2522 IonicContact OE1-CG 2.68Å; E1235-H2522 IonicContact OE1-ND1 2.69Å; E1235-H2522 PolarHBondContact OE1-ND1 2.81Å; E1235-H2522 WeakPolarHBondContact OE2-CA 3.2Å; E1235-H2522 PolarHBondContact OE2-N 3.4Å; E1235-H2522 IonicContact OE2-ND1 2.79Å; K1239-H2522 PolarHBondContact NZ-CE1 3.24Å; K1239-H2522 PolarHBondContact NZ-ND1 2.81Å; L1330-H2522 WeakPolarHBondContact CD1-NE2 3.46Å
2523	S	22	Very low	23.8	Very low	61 Å²	61	121.5 Å²	121.5	43%	0.427	65%	0.647	S	S	.	*			trans	179	111.8	147.3	26.5	0	0	0	0	115.3	E1235 R2521	E1235-S2523 PolarHBondContact OE1-N 2.8Å; E1235-S2523 PolarHBondContact OE2-N 2.99Å; R2521-S2523 VanDerWaalsContact CD-OG 3.25Å; R2521-S2523 WeakPolarHBondContact CD-OG 3.31Å; R2521-S2523 VanDerWaalsContact CG-OG 3.31Å; R2521-S2523 WeakPolarHBondContact CG-OG 3.34Å
2524	H	23.2	Very low	24.1	Very low	53 Å²	53	121.8 Å²	121.8	25%	0.245	65%	0.647	C	S	.	*				45.5	124.6	104.7	-84.8	-80.6	0	0	0	122.8	E1235 K1239 Q1261	E1235-H2524 IonicContact OE1-CD2 2.87Å; K1239-H2524 WeakPolarHBondContact CD-NE2 3.35Å; K1239-H2524 PolarHBondContact NZ-CD2 3.18Å; K1239-H2524 VanDerWaalsContact NZ-CD2 3.29Å; K1239-H2524 PolarHBondContact NZ-NE2 3.44Å; Q1261-H2524 PolarHBondContact O-CE1 3.32Å; Q1261-H2524 PolarHBondContact O-NE2 3.21Å
2525	R	21.8	Very low	24.1	Very low	117 Å²	117	125.4 Å²	125.4	44%	0.442	65%	0.649	S	S	.	*				51.1	86.1	112.3	-169.1	-155.9	-116.7	147.1	1.1	117.2	R1260 A2527	R1260-R2525 VanDerWaalsContact O-CZ 3.28Å; R1260-R2525 PolarHBondContact O-NH1 3.4Å; R1260-R2525 PolarHBondContact O-NH2 2.8Å; R2525-A2527 HydrophobicContact CG-CB 4.09Å
2526	F	24.1	Very low	24	Very low	198 Å²	198	127 Å²	127	87%	0.868	65%	0.648	S	S	*	*				-104.1	134.7	122	-77.5	-94.2	0	0	0	106.5
2527	A	24	Very low	24.2	Very low	60 Å²	60	127.7 Å²	127.7	50%	0.496	66%	0.662	S	S	.	*			cis	70.8	111.2	11.8	0	0	0	0	0	116.5	R2525	R2525-A2527 HydrophobicContact CG-CB 4.09Å
2528	V	26.1	Very low	24.3	Very low	91 Å²	91	124.6 Å²	124.6	55%	0.552	65%	0.651	S	S	*	*			trans	-112.1	83.6	144.2	-178.5	0	0	0	0	108.5	E2032	E2032-V2528 WeakPolarHBondContact OE1-CB 3.32Å; E2032-V2528 VanDerWaalsContact OE1-CG2 3.27Å; E2032-V2528 WeakPolarHBondContact OE1-CG2 3.47Å; E2032-V2528 WeakPolarHBondContact OE2-CG2 3.29Å
2529	Q	23.3	Very low	24.5	Very low	173 Å²	173	124.7 Å²	124.7	81%	0.808	65%	0.653	S	S	*	*	S	Bend	trans	-93.4	131.2	141.5	-169.6	169.7	3.5	0	0	105.1	V2531	Q2529-V2531 PolarHBondContact O-N 2.86Å
2530	H	25.5	Very low	24.6	Very low	178 Å²	178	121.2 Å²	121.2	82%	0.824	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-61.1	123	-175.4	-110.8	-86	0	0	0	110.5
2531	V	22.8	Very low	24.8	Very low	106 Å²	106	113.7 Å²	113.7	64%	0.642	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-82.4	120.9	178.9	176.7	0	0	0	0	110	Q2529	Q2529-V2531 PolarHBondContact O-N 2.86Å
2532	T	26.4	Very low	24.9	Very low	146 Å²	146	111.3 Å²	111.3	90%	0.896	62%	0.624	S	S	*	*			trans	-133.4	140.2	137.7	46.9	0	0	0	0	108.6
2533	S	23.1	Very low	25.2	Very low	96 Å²	96	113.1 Å²	113.1	67%	0.671	63%	0.632	S	S	*	*			trans	-134.7	-176.2	-163.7	56.4	0	0	0	0	109.6
2534	P	30.9	Very low	25.5	Very low	105 Å²	105	117.8 Å²	117.8	68%	0.682	65%	0.645	S	S	*	*			cis	-135	-167.2	-49.9	32.4	-12.3	0	0	0	112.5
2535	K	23.9	Very low	25.7	Very low	186 Å²	186	119.8 Å²	119.8	81%	0.809	67%	0.665	S	S	*	*			trans	95.8	150.8	155.2	-68.5	178.6	175.4	-177.1	0	121.1
2536	S	25.2	Very low	26.3	Very low	114 Å²	114	120.4 Å²	120.4	80%	0.797	67%	0.671	S	S	*	*			trans	82.9	129.4	162.7	-15.5	0	0	0	0	117.4
2537	P	29	Very low	26.6	Very low	127 Å²	127	117.9 Å²	117.9	83%	0.825	67%	0.667	S	S	*	*			trans	-105	-174.1	173.7	41.9	-35.6	0	0	0	113.5
2538	A	23.8	Very low	26.8	Very low	71 Å²	71	125.7 Å²	125.7	59%	0.587	69%	0.685	S	S	*	*			trans	88.4	142.5	161.2	0	0	0	0	0	118.9
2539	E	26.1	Very low	26.8	Very low	98 Å²	98	127.4 Å²	127.4	46%	0.458	69%	0.691	S	S	.	*			trans	61	114.6	168.6	-28.6	-95.6	106.8	0	0	116.1	S2350 G2351 S2352	S2350-E2539 WeakPolarHBondContact CA-OE2 3.18Å; S2350-E2539 VanDerWaalsContact CB-OE2 3.28Å; S2350-E2539 WeakPolarHBondContact CB-OE2 2.96Å; G2351-E2539 PolarHBondContact N-OE2 3.44Å; S2352-E2539 WeakPolarHBondContact CA-OE1 3.38Å; S2352-E2539 WeakPolarHBondContact CB-OE1 2.25Å; S2352-E2539 PolarHBondContact N-OE1 2.61Å; S2352-E2539 PolarHBondContact OG-N 3.04Å; S2352-E2539 PolarHBondContact OG-OE1 2.83Å
2540	S	25.6	Very low	27	Very low	59 Å²	59	125 Å²	125	41%	0.413	69%	0.685	S	S	.	*				55	127.8	50.4	84.4	0	0	0	0	113.7	S2350 G2351	S2350-S2540 PolarHBondContact N-O 3.03Å; S2350-S2540 VanDerWaalsContact N-O 3.1Å; G2351-S2540 PolarHBondContact O-OG 3.14Å
2541	S	25.8	Very low	27.1	Very low	76 Å²	76	122.1 Å²	122.1	53%	0.531	68%	0.677	S	S	.	*			cis	-143	174.5	3.4	-45.6	0	0	0	0	109.2	F2349	F2349-S2541 PolarHBondContact O-N 3.17Å
2542	D	28.5	Very low	27.4	Very low	137 Å²	137	123 Å²	123	73%	0.733	68%	0.68	S	S	*	*			cis	-156.9	168.6	9.6	-150	-2.1	0	0	0	113.3
2543	E	27.2	Very low	27.4	Very low	123 Å²	123	121.6 Å²	121.6	58%	0.575	67%	0.666	S	S	*	*			trans	37	131.1	150.8	-82.1	-162.2	151.9	0	0	123.7
2544	K	28.9	Very low	27.7	Very low	160 Å²	160	123.3 Å²	123.3	70%	0.696	67%	0.666	S	S	*	*			trans	62.8	126.9	138.3	-64.2	168.2	-174.8	150	0	118.6
2545	S	28.7	Very low	27.5	Very low	95 Å²	95	124.6 Å²	124.6	66%	0.664	66%	0.664	S	S	*	*			cis	-175.5	165.3	0.1	55.4	0	0	0	0	110.3
2546	K	33.8	Very low	27.8	Very low	129 Å²	129	119.8 Å²	119.8	56%	0.561	65%	0.653	S	S	*	*			trans	69.9	93.1	160.3	-67.1	173.1	-176.5	-179.6	0	117.8	D2115	D2115-K2546 IonicContact OD1-NZ 2.74Å; D2115-K2546 PolarHBondContact OD1-NZ 3.35Å; D2115-K2546 IonicContact OD2-NZ 3.4Å; D2115-K2546 PolarHBondContact OD2-NZ 2.76Å
2547	N	30.2	Very low	28	Very low	146 Å²	146	120.3 Å²	120.3	78%	0.781	64%	0.641	S	S	*	*			trans	79.6	88.8	135.6	-51.2	0.8	0	0	0	116.9
2548	Y	28.5	Very low	27.9	Very low	223 Å²	223	119.7 Å²	119.7	88%	0.875	63%	0.625	S	S	*	*				-123.6	0	87.3	-123.8	-79.6	0	0	0	111.2	S657 S658	S657-Y2548 PolarHBondContact N-OH 2.7Å; S657-Y2548 PolarHBondContact O-OH 2.74Å; S658-Y2548 PolarHBondContact N-OH 3.3Å

Retrieved 2,548 of 2,548 residues in 1219.8 ms (Link to these results)

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