A0A5K4F784_SCHMA Loading...

Peptidase M12B domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F784, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,123 aa.

						>A0A5K4F784_SCHMA|A0A5K4F784
MVLTLTHNCIHLEYLRRDLKTFQHPFYSNDQFINLSQPCNMIEFCINPVKMVGYFQLGYSHNTCKTTNIDNATIWNSTQYLISQNNYFNNSNYDCNNFYDYFIKNEQFSPHYDTEIDSQFKQRIITHNQQMKTLKSLMYQVCQPFEHPDKYYNKISPDKSINISIENNQEQQTLHIHTYHQAERADTASHMMLTSHLSKHQLKQFRDNHDKHSRIQKTNRKQTIRNRTASSYNNISNYIMNVYGHRQSVRMDQKSIFVIDHSSSSTVSAPTTIYRSVTSIHHVPHALANELSANNEANKDNQQNNNPILSFQYVEPHTVELLVVVTETMKQKFGLFIDEYLLSTMTTVSTLLRHPSLKNSIQLNVVDIILLDPVYARRHNLEDWSNSKQEQVMARFCKWVNRLRTPTYTWDSAILLNVGHFKSTALGVAHYRSMCNRESSCLAVLDRGFGTGHIIAHELGHQLGAKHDFELNSSCGLEEQDHHMADPPTRSSAHDLKLGTYPYYQSGDEWDYREDYRNSDVHQYEFVRRDTIMSGTLYFDQFPLRWSACSRQAIHLFIESNGANCLRYLNSETTFYSAEKLAHHSMDNRPGQIFSLNKQCEFVLKINGTQFCGQMLPPCRQLYCQDSEHRSCLPMETAWAEGTPCGSSKWCIQGRCVSTNENPTPLHGNWGEWGSWSKCSRSCGGGVQFSERECNNPEPQNGGNFCHGTRTRMRSCGNEPCEKQLNIRQTLCDKIDGQYKGQLRAYFPKLGEPTSCNLVCLYNSHSVSHGFSLPDGTPCYALRDDICIQGKCWETGCDGILGSRLRFDRCRVCGGDNSTCEEIKGVFNGNTLTPPGTYPRGLMTAVRIPKGVTNAFVRKVSDRNTPYSSDSYDDFMLLIFEELKTQIRRGETHEPFAGAELYYSGSRSREEIVSITGRLNKDVNIVIRVENSHTTQSLPRVEYSYFIDKSQKNNSLYFIAESEARLAEDRINRRTGRSQNILSSYKTVDELIHPVQNNPNELDNRKIKNEKPQIYFVWRISELPTGCTTCAGNVTTPAECYPLVPKDSERSQFSQFDLLRPVADYLCASMPKPPSVFRRCSDYCGVRWSAKPMQTGKTSNGIYKFYTSSCSARCNEGHEAVEYVCEEYIVPAEQKDKSKGIWRVAQLGELVCHKAGLGKAPSQPAYVTCKGSCHPVYWILSNWTECNNSCGDGTRKRILYCQDEIGQNWPLNECMNYGESMIHHSKAPKQSITIHSAQEIILLYQQNNNFQVSFEHNLYIEQYNDCFSLSKCRNDINWSTTRWSECEPLDEQMKSNCRLVDNITDRKDLINKIIGVRYRNVSCIIENNDNYHNSLNKYIVTDQLTSGYFMRRIQLNLNFCRKASMLGELMEEPYGREACTQPKCYRWGNGQMSACSVNCGRGVKQTRISCECIILKDDLDTSSNEKNIVLQGIHIVDNDKCMQNLQYMPRLFTDKTNGTIFVETVERRIDNDQEMIPLKVDNINEPVMLTCIEAPCDLRVPAWRTTSWSACSSSCGLGVRQRKVMCVVETQNANLHKRHSISYTSIFTTSRFNIEVVDSQICHNALLPMPTEQETCLEAPCPMWQAEDWQECIGECEYGIQHRKIRCIIELTSSQQINNHLQKSEDDSSLRLSINHLDSSLIRRSRSVNIMDVDQERCRNAGAKPISERPCLINLSCPYWYKSEWSKCSVNCGMGIRSRQVACRSSNGTVINVETINDNQTFYHNIESSHVNSLQYTIQTIKKSITTKRKCLGPRPIDKISCGTRPCTGLEVFWWPVASSECNITGCELAKRERIIKCLSPRRGPVHDTACNHLEKPLNWTICESFKCKRFEWRTGSWSQCPDTCVSRMKYRQVKCVDDLGNEYSETLCPANLKPSNRGVCPNLCSDIPKSCRELKYRYPSADDGTYQLLIEQSLVYIYCADMESSNPSEYITLRQINYAASSEFLQPYPDLNWCPPVNQNASMFNISKNMYQPNSNLDSSKDIPESFLTSMEVNNVNCPSCPTVSSLVSKTFYNKVRLDIYSLEVKINDGRFSHTLGSSMMPYGTAKDCFSSTVCPQGKFQIDLRGTSFKVSVKTRWTSNQITNGVSHIHRLQDSQLIYGRCGGHCTGCWPQPGLFLELKPD
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.6	Very low	33.3	Very low	240 Å²	240	141.9 Å²	141.9	100%	1.182	76%	0.758	S	S	*	*				0	133.6	0	-76.9	170.2	171	0	0	107.5
2	V	27.5	Very low	34.9	Very low	118 Å²	118	139.8 Å²	139.8	72%	0.715	75%	0.746	S	S	*	*			cis	-165.9	137.1	-7.2	105.7	0	0	0	0	110.4
3	L	28	Very low	34.4	Very low	146 Å²	146	140.1 Å²	140.1	76%	0.764	74%	0.74	S	S	*	*			trans	56	156.8	152.7	-57.6	170.9	0	0	0	121.7
4	T	32.8	Very low	34.5	Very low	109 Å²	109	144.8 Å²	144.8	67%	0.669	75%	0.745	S	S	*	*				-174.5	172.6	-53.1	26.4	0	0	0	0	111.4
5	L	32	Very low	33.9	Very low	154 Å²	154	144.7 Å²	144.7	81%	0.806	75%	0.746	S	S	*	*			trans	91.2	163.1	164.4	-51.9	-175.4	0	0	0	118.7
6	T	33.9	Very low	33.3	Very low	107 Å²	107	146.4 Å²	146.4	66%	0.656	74%	0.739	S	S	*	*				-166.1	150	-72.6	23.6	0	0	0	0	116.2
7	H	39.3	Very low	32.8	Very low	171 Å²	171	147.5 Å²	147.5	79%	0.792	73%	0.733	S	S	*	*			trans	78.1	155.8	149.3	-77	102.4	0	0	0	124.5
8	N	38.7	Very low	32.3	Very low	150 Å²	150	146.3 Å²	146.3	80%	0.802	73%	0.729	S	S	*	*			trans	74.9	143	179.7	-61.2	-15.5	0	0	0	116.9
9	C	40.9	Very low	31.9	Very low	85 Å²	85	144.1 Å²	144.1	57%	0.574	72%	0.719	S	S	*	*			cis	-150.2	150.8	2.5	-130.1	0	0	0	0	112.3
10	I	36.1	Very low	31.4	Very low	156 Å²	156	143.7 Å²	143.7	80%	0.8	71%	0.713	S	S	*	*	S	Bend	trans	32.6	114.5	156.2	-49.6	165.2	0	0	0	117.5
11	H	27.7	Very low	31.2	Very low	125 Å²	125	142 Å²	142	58%	0.579	71%	0.711	S	S	*	*			cis	-161.8	116.9	-10	-171	-110.2	0	0	0	105.4	E13	H11-E13 VanDerWaalsContact CE1-CG 3.44Å; H11-E13 WeakPolarHBondContact CE1-CG 3.4Å; H11-E13 IonicContact CE1-OE1 2.75Å; H11-E13 IonicContact CE1-OE2 3.98Å; H11-E13 PolarHBondContact CE1-OE2 3.12Å; H11-E13 WeakPolarHBondContact ND1-CG 3.41Å; H11-E13 IonicContact ND1-OE2 2.86Å; H11-E13 PolarHBondContact ND1-OE2 2.85Å
12	L	52.1	Low	31	Very low	117 Å²	117	136.8 Å²	136.8	61%	0.613	68%	0.682	S	S	*	*			cis	75.2	61.6	12	-41.9	176.5	0	0	0	114.8
13	E	29	Very low	30.8	Very low	143 Å²	143	137.9 Å²	137.9	67%	0.668	68%	0.679	S	S	*	*			cis	37.6	89.7	-3.1	-69.1	173.4	159.8	0	0	117.8	H11	H11-E13 VanDerWaalsContact CE1-CG 3.44Å; H11-E13 WeakPolarHBondContact CE1-CG 3.4Å; H11-E13 IonicContact CE1-OE1 2.75Å; H11-E13 IonicContact CE1-OE2 3.98Å; H11-E13 PolarHBondContact CE1-OE2 3.12Å; H11-E13 WeakPolarHBondContact ND1-CG 3.41Å; H11-E13 IonicContact ND1-OE2 2.86Å; H11-E13 PolarHBondContact ND1-OE2 2.85Å
14	Y	35.9	Very low	31	Very low	206 Å²	206	137.7 Å²	137.7	81%	0.808	67%	0.674	S	S	*	*			cis	63	162.4	8.5	-101.3	-97.2	0	0	0	117.2
15	L	25.9	Very low	31.3	Very low	144 Å²	144	136.6 Å²	136.6	75%	0.754	67%	0.669	S	S	*	*			trans	62.4	-173.8	168.1	-96.2	167.4	0	0	0	113.8
16	R	23.4	Very low	31.1	Very low	172 Å²	172	136.4 Å²	136.4	65%	0.649	66%	0.662	S	S	*	*			trans	29.6	105.5	145.9	-68.4	178.2	-175.6	-172.7	2.3	117.2
17	R	25	Very low	30.9	Very low	165 Å²	165	140.4 Å²	140.4	62%	0.623	67%	0.666	S	S	*	*				93.1	139.6	82.8	-82	172.4	-164.4	169	1.7	110	L19	R17-L19 HydrophobicContact CB-CB 4.5Å; R17-L19 HydrophobicContact CG-CB 4.01Å; R17-L19 HydrophobicContact CG-CD1 3.85Å; R17-L19 HydrophobicContact CG-CG 3.88Å
18	D	23.9	Very low	30.3	Very low	125 Å²	125	135.8 Å²	135.8	67%	0.668	65%	0.653	S	S	*	*			cis	-79.2	135.7	6.9	-78.5	-74.7	0	0	0	113.2
19	L	24.7	Very low	29.8	Very low	104 Å²	104	134.5 Å²	134.5	55%	0.545	65%	0.646	S	S	.	*				59.2	162.8	53	-113.1	-179.4	0	0	0	112	R17 T21	R17-L19 HydrophobicContact CB-CB 4.5Å; R17-L19 HydrophobicContact CG-CB 4.01Å; R17-L19 HydrophobicContact CG-CD1 3.85Å; R17-L19 HydrophobicContact CG-CG 3.88Å; L19-T21 PolarHBondContact O-N 2.94Å
20	K	22.8	Very low	29.5	Very low	136 Å²	136	138.1 Å²	138.1	59%	0.591	66%	0.66	S	S	*	*			trans	53.2	52.1	165.5	-65.6	154.5	-173.4	166.3	0	113.3	F22	K20-F22 HydrophobicContact CB-CD2 4.41Å
21	T	25.6	Very low	29.4	Very low	108 Å²	108	136.9 Å²	136.9	66%	0.663	65%	0.651	S	S	*	*				64.4	-135.7	98.3	66	0	0	0	0	110.4	L19	L19-T21 PolarHBondContact O-N 2.94Å
22	F	25.4	Very low	29.4	Very low	132 Å²	132	138.7 Å²	138.7	58%	0.579	66%	0.657	S	S	*	*			trans	39.7	119.3	156.5	-55.1	-29.9	0	0	0	119.5	K20	K20-F22 HydrophobicContact CB-CD2 4.41Å
23	Q	24.1	Very low	28.7	Very low	141 Å²	141	140.6 Å²	140.6	66%	0.659	67%	0.666	S	S	*	*			cis	-152.7	134.3	5.4	-116.9	131.9	10.4	0	0	108.3
24	H	32.6	Very low	28.6	Very low	141 Å²	141	140.1 Å²	140.1	65%	0.653	67%	0.668	S	S	*	*				61.5	149	97.1	-66	-154.6	0	0	0	114.5
25	P	38.1	Very low	28.4	Very low	86 Å²	86	137 Å²	137	56%	0.558	67%	0.665	S	S	*	*			cis	-127.5	128.1	-5	19.7	3.8	0	0	0	113.6	Y27	P25-Y27 HydrophobicContact CB-CD2 3.44Å; P25-Y27 VanDerWaalsContact CB-CD2 3.44Å; P25-Y27 HydrophobicContact CB-CE2 4Å; P25-Y27 HydrophobicContact CB-CG 4.32Å; P25-Y27 HydrophobicContact CG-CD2 3.95Å; P25-Y27 HydrophobicContact CG-CE2 4.12Å
26	F	27.6	Very low	28.5	Very low	151 Å²	151	134.6 Å²	134.6	66%	0.662	66%	0.66	S	S	*	*	S	Bend		-83.5	113.4	108.6	-94.5	-81.6	0	0	0	107
27	Y	29.5	Very low	28.8	Very low	191 Å²	191	135.2 Å²	135.2	75%	0.749	67%	0.67	S	S	*	*			trans	-64.6	145.1	158.8	-93.6	-101.6	0	0	0	106.9	P25	P25-Y27 HydrophobicContact CB-CD2 3.44Å; P25-Y27 VanDerWaalsContact CB-CD2 3.44Å; P25-Y27 HydrophobicContact CB-CE2 4Å; P25-Y27 HydrophobicContact CB-CG 4.32Å; P25-Y27 HydrophobicContact CG-CD2 3.95Å; P25-Y27 HydrophobicContact CG-CE2 4.12Å
28	S	28	Very low	29.2	Very low	73 Å²	73	132.9 Å²	132.9	51%	0.51	68%	0.676	S	S	.	*			cis	-178.5	163.2	-13.1	49.1	0	0	0	0	108.2
29	N	28.5	Very low	29.3	Very low	124 Å²	124	131.9 Å²	131.9	66%	0.663	68%	0.678	S	S	*	*			trans	44.3	103.4	147.6	-57	-7.2	0	0	0	117.7
30	D	33.8	Very low	29.4	Very low	161 Å²	161	133.7 Å²	133.7	86%	0.861	69%	0.688	S	S	*	*				-120	138.8	100.5	-97.9	-21.2	0	0	0	105.8
31	Q	33.4	Very low	29.7	Very low	130 Å²	130	134.8 Å²	134.8	61%	0.607	70%	0.698	S	S	*	*			cis	53.6	98.9	32.7	-63.7	-147.5	7.4	0	0	113.1
32	F	28.6	Very low	29.5	Very low	162 Å²	162	136.4 Å²	136.4	71%	0.711	70%	0.7	S	S	*	*			cis	-170.4	164.1	7.6	-117.3	-61.5	0	0	0	108.5
33	I	38.1	Very low	29.2	Very low	157 Å²	157	139 Å²	139	81%	0.805	72%	0.715	S	S	*	*			trans	71.4	156.1	155.8	-64.9	154.9	0	0	0	117
34	N	25.9	Very low	29	Very low	134 Å²	134	139.9 Å²	139.9	72%	0.717	72%	0.716	S	S	*	*				-167.5	177.6	-50.7	-153.4	-9	0	0	0	109.5
35	L	31.4	Very low	28.6	Very low	140 Å²	140	137.5 Å²	137.5	73%	0.733	72%	0.715	S	S	*	*			trans	70.8	88.2	155.1	-64.9	163.1	0	0	0	121.4
36	S	27.4	Very low	28.3	Very low	93 Å²	93	140 Å²	140	65%	0.65	72%	0.722	S	S	*	*				23.1	132.8	122.4	61.9	0	0	0	0	124.4
37	Q	30.7	Very low	28.4	Very low	185 Å²	185	139.4 Å²	139.4	86%	0.864	73%	0.726	S	S	*	*			trans	67.3	175.4	139	-95.6	-175.5	4.9	0	0	119.2
38	P	33.9	Very low	28.7	Very low	116 Å²	116	135.2 Å²	135.2	75%	0.753	72%	0.722	S	S	*	*			cis	-128.7	-110	-11.7	32.9	-9.9	0	0	0	114
39	C	25.1	Very low	28.9	Very low	105 Å²	105	137 Å²	137	71%	0.709	73%	0.73	S	S	*	*			trans	-112.2	166.9	-160.7	-54.7	0	0	0	0	114.7
40	N	27.4	Very low	28.9	Very low	141 Å²	141	138.8 Å²	138.8	75%	0.754	73%	0.732	S	S	*	*			trans	64.3	114	152.6	-68.2	-4.5	0	0	0	121.4
41	M	28.4	Very low	28.6	Very low	160 Å²	160	138.4 Å²	138.4	79%	0.788	73%	0.726	S	S	*	*			trans	53.4	136.5	134	-60.1	-161.8	-68.4	0	0	122
42	I	20.8	Very low	28.4	Very low	141 Å²	141	138.5 Å²	138.5	72%	0.723	74%	0.736	S	S	*	*			trans	77.1	135.4	168	-54.8	146.6	0	0	0	112.4	F44	I42-F44 HydrophobicContact CG2-CB 4.41Å; I42-F44 HydrophobicContact CG2-CD2 3.88Å
43	E	20.1	Very low	28.5	Very low	188 Å²	188	134.6 Å²	134.6	88%	0.879	74%	0.741	S	S	*	*			cis	-48.9	130.8	14	-124.7	164.2	-168.8	0	0	115
44	F	20.2	Very low	28.1	Very low	158 Å²	158	135.6 Å²	135.6	69%	0.693	74%	0.736	S	S	*	*				56.8	111	66	-105.2	-113.8	0	0	0	112.9	I42	I42-F44 HydrophobicContact CG2-CB 4.41Å; I42-F44 HydrophobicContact CG2-CD2 3.88Å
45	C	23.4	Very low	28.3	Very low	91 Å²	91	135.8 Å²	135.8	62%	0.615	73%	0.731	S	S	*	*				58.2	128.8	124.9	-66.3	0	0	0	0	121.6
46	I	31.3	Very low	28.1	Very low	139 Å²	139	135.8 Å²	135.8	71%	0.713	73%	0.727	S	S	*	*			trans	75.1	98.7	138.8	-64.3	167.7	0	0	0	113.4
47	N	31.6	Very low	28.2	Very low	138 Å²	138	138 Å²	138	74%	0.738	73%	0.731	S	S	*	*				72.3	169.5	83.8	-86	-51.7	0	0	0	112.2
48	P	35.9	Very low	28	Very low	104 Å²	104	132.2 Å²	132.2	68%	0.675	72%	0.72	S	S	*	*			cis	-126.4	149.3	3.1	5.6	22	0	0	0	115.8
49	V	31.2	Very low	27.8	Very low	111 Å²	111	136 Å²	136	67%	0.673	72%	0.721	S	S	*	*				66.5	136.5	120.2	168.4	0	0	0	0	118.7
50	K	27.7	Very low	27.8	Very low	161 Å²	161	135.2 Å²	135.2	70%	0.7	72%	0.717	S	S	*	*			cis	-165.6	150.1	-4.2	-118	-175.7	-166.9	173.9	0	113.4
51	M	27.6	Very low	27.9	Very low	152 Å²	152	135.2 Å²	135.2	75%	0.749	71%	0.712	S	S	*	*				40.9	134	125	-74.6	173.6	168.9	0	0	123.5
52	V	29.8	Very low	28	Very low	133 Å²	133	133.9 Å²	133.9	81%	0.806	71%	0.708	S	S	*	*				83.4	143.4	128	170	0	0	0	0	119.2
53	G	31.9	Very low	28.4	Very low	80 Å²	80	132.9 Å²	132.9	83%	0.825	71%	0.708	S	S	*	*			trans	179.2	26.9	175.8	0	0	0	0	0	113
54	Y	29.7	Very low	28.7	Very low	178 Å²	178	128.8 Å²	128.8	70%	0.698	70%	0.7	S	S	*	*			trans	-57.9	141	-167.6	-116.9	-136	0	0	0	115.7
55	F	29.7	Very low	29.2	Very low	138 Å²	138	130.7 Å²	130.7	61%	0.605	71%	0.708	S	S	*	*				85.9	116.4	128.7	-89.6	-145.9	0	0	0	123.9
56	Q	25.8	Very low	29.4	Very low	139 Å²	139	131 Å²	131	65%	0.65	71%	0.707	S	S	*	*				80.8	157.1	103.3	-150.3	-167.7	30.8	0	0	120.3
57	L	29.7	Very low	29.3	Very low	140 Å²	140	129.9 Å²	129.9	73%	0.733	71%	0.707	S	S	*	*			trans	74.5	142.8	168.7	-50.4	171	0	0	0	115.4	Y59	L57-Y59 HydrophobicContact CD2-CE2 4.42Å
58	G	27.5	Very low	29.1	Very low	63 Å²	63	129.2 Å²	129.2	65%	0.649	70%	0.703	S	S	*	*			cis	158.4	168.4	-8.5	0	0	0	0	0	113.2
59	Y	30	Very low	28.9	Very low	197 Å²	197	130.5 Å²	130.5	77%	0.773	70%	0.703	S	S	*	*			trans	65.2	102.7	162.4	-64.9	-83.9	0	0	0	120.1	L57	L57-Y59 HydrophobicContact CD2-CE2 4.42Å
60	S	24.9	Very low	28.9	Very low	88 Å²	88	130.7 Å²	130.7	62%	0.615	70%	0.7	S	S	*	*				-7.7	154	125	56.1	0	0	0	0	119.1
61	H	29.9	Very low	29.1	Very low	141 Å²	141	129.8 Å²	129.8	65%	0.653	70%	0.703	S	S	*	*				-176.8	140.3	110.5	-101.1	-64.4	0	0	0	115.1
62	N	29.5	Very low	29.1	Very low	131 Å²	131	125.9 Å²	125.9	70%	0.701	70%	0.695	S	S	*	*			trans	65.3	171.8	144.5	-54.7	-12.2	0	0	0	117.2
63	T	29.5	Very low	28.9	Very low	120 Å²	120	125.3 Å²	125.3	74%	0.736	69%	0.692	S	S	*	*			cis	-152.5	154.8	12.6	-25.1	0	0	0	0	113.1
64	C	26.4	Very low	28.6	Very low	103 Å²	103	127.9 Å²	127.9	70%	0.696	69%	0.685	S	S	*	*			trans	13.9	138.9	151.9	-58.6	0	0	0	0	121.7
65	K	30.3	Very low	28.3	Very low	197 Å²	197	129.7 Å²	129.7	86%	0.857	69%	0.691	S	S	*	*				177.3	148	106.2	-94	177.7	-179.3	-179.1	0	111.4
66	T	28.2	Very low	28.1	Very low	98 Å²	98	129.1 Å²	129.1	60%	0.601	69%	0.694	S	S	*	*			cis	179.5	150.2	-28.9	21.2	0	0	0	0	107.9
67	T	28.8	Very low	28	Very low	115 Å²	115	127.1 Å²	127.1	71%	0.706	70%	0.695	S	S	*	*			trans	66.6	147.9	145.7	57.3	0	0	0	0	119
68	N	28.2	Very low	27.8	Very low	125 Å²	125	126.7 Å²	126.7	67%	0.668	70%	0.699	S	S	*	*			cis	-163.2	168.9	3.2	-126.7	4	0	0	0	113.5
69	I	32	Very low	27.8	Very low	131 Å²	131	132.6 Å²	132.6	67%	0.672	71%	0.71	S	S	*	*			trans	69.2	130	146.7	-70	162.9	0	0	0	117.3
70	D	30.7	Very low	27.5	Very low	115 Å²	115	133 Å²	133	62%	0.615	71%	0.711	S	S	*	*			cis	-166.3	153.6	-16.8	-114	-5.7	0	0	0	111.2
71	N	30.6	Very low	27.5	Very low	142 Å²	142	135 Å²	135	76%	0.759	72%	0.715	S	S	*	*			trans	53.9	153.1	143.6	-61.6	-37.1	0	0	0	122.5
72	A	28.5	Very low	27.3	Very low	69 Å²	69	135.2 Å²	135.2	57%	0.57	72%	0.719	S	S	*	*			cis	-167.5	136.4	-28.3	0	0	0	0	0	110
73	T	25	Very low	27.1	Very low	121 Å²	121	133.2 Å²	133.2	74%	0.742	72%	0.715	S	S	*	*			trans	51.2	152.9	138.4	62.5	0	0	0	0	124
74	I	25.5	Very low	27.1	Very low	135 Å²	135	134.7 Å²	134.7	69%	0.692	71%	0.714	S	S	*	*			trans	95.3	102.1	139.8	-82	156.6	0	0	0	119.7
75	W	24.7	Very low	27.3	Very low	215 Å²	215	135.1 Å²	135.1	81%	0.814	71%	0.709	S	S	*	*			trans	88.9	122.4	131	-76.1	33.7	0	0	0	123.1
76	N	23.9	Very low	27.1	Very low	126 Å²	126	131.6 Å²	131.6	67%	0.674	70%	0.7	S	S	*	*				44.5	123.3	126.8	-65.3	-7.5	0	0	0	122
77	S	24.2	Very low	27	Very low	97 Å²	97	136 Å²	136	68%	0.678	71%	0.707	S	S	*	*			trans	61.4	105.1	134.9	65.4	0	0	0	0	119.7
78	T	26.7	Very low	26.9	Very low	131 Å²	131	137.8 Å²	137.8	80%	0.804	71%	0.705	S	S	*	*			trans	46.9	107.4	132.8	57.6	0	0	0	0	119
79	Q	25.9	Very low	26.8	Very low	188 Å²	188	137.5 Å²	137.5	88%	0.879	70%	0.703	S	S	*	*				-152.6	123.9	113.3	-105.5	-165.5	4.4	0	0	112.9
80	Y	24.5	Very low	26.5	Very low	204 Å²	204	138.1 Å²	138.1	80%	0.8	71%	0.708	S	S	*	*				35.8	137.3	119.4	-111.5	-138.1	0	0	0	122.2
81	L	25.6	Very low	26.6	Very low	132 Å²	132	137.1 Å²	137.1	69%	0.691	71%	0.71	S	S	*	*			trans	95.6	132.6	143.7	-69.3	167.1	0	0	0	121.6
82	I	26	Very low	26.5	Very low	144 Å²	144	135.2 Å²	135.2	74%	0.738	70%	0.7	S	S	*	*			trans	74.5	124.2	142.7	-71.4	165.3	0	0	0	116.7
83	S	25.1	Very low	26.6	Very low	89 Å²	89	135 Å²	135	62%	0.622	69%	0.685	S	S	*	*			cis	-170.4	-177.2	-6	53.4	0	0	0	0	112.5
84	Q	29.5	Very low	26.7	Very low	152 Å²	152	134.1 Å²	134.1	71%	0.71	68%	0.675	S	S	*	*			trans	84.4	93.9	159.8	-53.5	-85	-25.2	0	0	117.9
85	N	29.5	Very low	26.8	Very low	112 Å²	112	131.2 Å²	131.2	60%	0.599	67%	0.666	S	S	*	*				93	87.1	121	-60.7	-3.1	0	0	0	121.7
86	N	27	Very low	27.1	Very low	123 Å²	123	122.8 Å²	122.8	66%	0.658	64%	0.637	S	S	*	*				85.3	114.5	101.8	-68.4	-12.7	0	0	0	121.4
87	Y	25	Very low	27.4	Very low	191 Å²	191	119.8 Å²	119.8	75%	0.749	62%	0.621	S	S	*	*				105	111.8	119.5	-88.9	-134.3	0	0	0	119.4
88	F	26.6	Very low	27.6	Very low	151 Å²	151	123.7 Å²	123.7	66%	0.662	63%	0.626	S	S	*	*			trans	78.1	91.8	137.8	-82.7	-114	0	0	0	119.9
89	N	25.8	Very low	27.7	Very low	120 Å²	120	125.6 Å²	125.6	64%	0.642	62%	0.62	S	S	*	*				75.7	140.8	111.1	-68.2	8.3	0	0	0	121.4
90	N	27.2	Very low	27.9	Very low	143 Å²	143	121.8 Å²	121.8	77%	0.765	61%	0.605	S	S	*	*			trans	83.8	105.3	149.8	-66.5	-2.1	0	0	0	119.5
91	S	31.7	Very low	28.4	Very low	94 Å²	94	118.6 Å²	118.6	66%	0.657	59%	0.593	S	S	*	*				93.7	85.9	118	68.7	0	0	0	0	119.8
92	N	28.6	Very low	28.7	Very low	102 Å²	102	120.7 Å²	120.7	55%	0.545	60%	0.597	S	S	.	*				104.2	103	98.9	-78.3	-5.8	0	0	0	118.6	L1242	N92-L1242 HydrophobicContact CB-CD1 3.91Å; N92-L1242 HydrophobicContact CB-CD2 3.97Å; N92-L1242 HydrophobicContact CB-CG 3.95Å
93	Y	30.7	Very low	29.2	Very low	66 Å²	66	118.9 Å²	118.9	26%	0.259	59%	0.587	S	S	.	*			trans	69.4	160.5	170.5	-55.6	-3.4	0	0	0	113.5	E1239 L1242 L1243 Q1246	Y93-E1239 HydrophobicContact CE2-CB 4.39Å; Y93-E1239 HydrophobicContact CE2-CG 4.48Å; Y93-L1242 HydrophobicContact CD1-CB 2.3Å; Y93-L1242 HydrophobicContact CD1-CD1 3.68Å; Y93-L1242 HydrophobicContact CD1-CD2 3.54Å; Y93-L1242 HydrophobicContact CD1-CG 2.33Å; Y93-L1242 HydrophobicContact CD2-CB 2.3Å; Y93-L1242 HydrophobicContact CD2-CD1 2.59Å; Y93-L1242 HydrophobicContact CD2-CD2 3.74Å; Y93-L1242 HydrophobicContact CD2-CG 2.32Å; Y93-L1242 HydrophobicContact CE1-CB 2.31Å; Y93-L1242 HydrophobicContact CE1-CD1 3.92Å; Y93-L1242 HydrophobicContact CE1-CD2 2.85Å; Y93-L1242 HydrophobicContact CE1-CG 2.3Å; Y93-L1242 WeakPolarHBondContact CE1-O 3.48Å; Y93-L1242 HydrophobicContact CE2-CB 2.32Å; Y93-L1242 HydrophobicContact CE2-CD1 2.92Å; Y93-L1242 HydrophobicContact CE2-CD2 3.09Å; Y93-L1242 HydrophobicContact CE2-CG 2.3Å; Y93-L1242 HydrophobicContact CG-CB 2.32Å; Y93-L1242 HydrophobicContact CG-CD1 2.99Å; Y93-L1242 HydrophobicContact CG-CD2 3.9Å; Y93-L1242 HydrophobicContact CG-CG 2.31Å; Y93-L1242 WeakPolarHBondContact OH-CB 3.34Å; Y93-L1242 WeakPolarHBondContact OH-CD2 3.48Å; Y93-L1242 WeakPolarHBondContact OH-CG 3.37Å; Y93-L1243 VanDerWaalsContact CZ-N 3.33Å; Y93-L1243 WeakPolarHBondContact OH-CD2 3.36Å; Y93-L1243 WeakPolarHBondContact OH-CG 3.37Å; Y93-L1243 PolarHBondContact OH-N 2.86Å; Y93-Q1246 HydrophobicContact CE1-CG 4.01Å; Y93-Q1246 PolarHBondContact OH-OE1 3.4Å
94	D	28.1	Very low	29.6	Very low	102 Å²	102	122 Å²	122	55%	0.545	59%	0.59	S	S	.	*			trans	-148.1	136.9	-151.4	-160.2	-8.9	0	0	0	110
95	C	27.1	Very low	29.7	Very low	73 Å²	73	119.8 Å²	119.8	49%	0.493	58%	0.583	S	S	.	*			trans	-145.5	115.5	-151.4	-174.6	0	0	0	0	113	Q1238	C95-Q1238 PolarHBondContact SG-NE2 2.99Å
96	N	30.1	Very low	29.7	Very low	39 Å²	39	123.5 Å²	123.5	21%	0.209	60%	0.596	C	S	.	*			trans	70.8	144.7	158	-61.6	-6.6	0	0	0	120.9	I1234 Q1238	N96-I1234 WeakPolarHBondContact OD1-CD1 3.31Å; N96-Q1238 PolarHBondContact OD1-NE2 3.39Å
97	N	30.9	Very low	29.6	Very low	62 Å²	62	125.4 Å²	125.4	33%	0.332	60%	0.601	S	S	.	*			trans	58.8	112	146.9	-61.5	-28	0	0	0	120.7	M1215 N1216	N97-M1215 PolarHBondContact N-O 2.99Å; N97-M1215 PolarHBondContact OD1-O 3.39Å; N97-N1216 WeakPolarHBondContact OD1-CA 3.32Å; N97-N1216 PolarHBondContact OD1-O 3.15Å
98	F	28.4	Very low	30	Very low	180 Å²	180	125 Å²	125	79%	0.789	60%	0.604	S	S	*	*			trans	-65.4	135.6	143.5	-119.8	-96.9	0	0	0	110.2	N1216	F98-N1216 PolarHBondContact N-OD1 2.83Å
99	Y	29.4	Very low	29.9	Very low	171 Å²	171	122 Å²	122	67%	0.671	60%	0.602	S	S	*	*			trans	-96.8	117.2	-159.6	-121.7	-111.2	0	0	0	114.8	Y101	Y99-Y101 HydrophobicContact CD1-CD2 4.15Å; Y99-Y101 AromaticContact CD1-CE2 3.75Å; Y99-Y101 HydrophobicContact CD1-CE2 3.75Å; Y99-Y101 HydrophobicContact CE1-CE2 4.06Å
100	D	29.8	Very low	30.2	Very low	107 Å²	107	120.6 Å²	120.6	57%	0.572	60%	0.599	S	S	*	*				65.6	-177.2	112.4	-160.4	24.5	0	0	0	121.8
101	Y	34	Very low	30.6	Very low	138 Å²	138	121 Å²	121	54%	0.541	60%	0.596	S	S	.	*			trans	87.6	129.5	159.4	-78.1	-71.7	0	0	0	118.7	Y99 I103	Y99-Y101 HydrophobicContact CD1-CD2 4.15Å; Y99-Y101 AromaticContact CD1-CE2 3.75Å; Y99-Y101 HydrophobicContact CD1-CE2 3.75Å; Y99-Y101 HydrophobicContact CE1-CE2 4.06Å; Y101-I103 HydrophobicContact CD1-CB 4.17Å; Y101-I103 HydrophobicContact CD1-CG1 3.74Å; Y101-I103 HydrophobicContact CE1-CB 4.36Å; Y101-I103 HydrophobicContact CE1-CG1 3.83Å; Y101-I103 HydrophobicContact CE1-CG2 4.32Å
102	F	31.9	Very low	30.7	Very low	176 Å²	176	125.6 Å²	125.6	77%	0.772	60%	0.6	S	S	*	*			cis	-136.3	173.5	10.5	-76.2	-95.8	0	0	0	112.6
103	I	37.5	Very low	30.8	Very low	105 Å²	105	126.4 Å²	126.4	54%	0.538	61%	0.605	S	S	.	*			cis	151.8	163.2	-34.9	-89.6	-73.7	0	0	0	111	Y101	Y101-I103 HydrophobicContact CD1-CB 4.17Å; Y101-I103 HydrophobicContact CD1-CG1 3.74Å; Y101-I103 HydrophobicContact CE1-CB 4.36Å; Y101-I103 HydrophobicContact CE1-CG1 3.83Å; Y101-I103 HydrophobicContact CE1-CG2 4.32Å
104	K	32.6	Very low	30.8	Very low	155 Å²	155	128.2 Å²	128.2	67%	0.674	62%	0.623	S	S	*	*			trans	90.1	144.1	169	-79.5	154.2	179.4	-172.4	0	119.9
105	N	31.4	Very low	30.9	Very low	106 Å²	106	131.3 Å²	131.3	57%	0.567	63%	0.634	S	S	*	*			cis	-169.8	147.2	-25.5	-119.3	19.8	0	0	0	111.1
106	E	29.9	Very low	31.4	Very low	189 Å²	189	135.9 Å²	135.9	88%	0.883	65%	0.652	S	S	*	*	S	Bend	trans	-156.5	71.7	144	-160.7	177.3	-113.5	0	0	113.4
107	Q	25.2	Very low	31.4	Very low	163 Å²	163	138.4 Å²	138.4	76%	0.762	67%	0.665	S	S	*	*	S	Bend		-170.4	146.3	128.9	-103.6	178.1	24.4	0	0	109.9
108	F	32.2	Very low	31.3	Very low	183 Å²	183	140.3 Å²	140.3	80%	0.803	68%	0.683	S	S	*	*	S	Bend	trans	56.6	93.4	-177.4	-78.4	-82.1	0	0	0	118.6
109	S	25.5	Very low	31.5	Very low	88 Å²	88	138.2 Å²	138.2	62%	0.615	68%	0.676	S	S	*	*			trans	80.5	144.9	144.4	-92.3	0	0	0	0	119.4
110	P	32.9	Very low	31.7	Very low	91 Å²	91	138.9 Å²	138.9	59%	0.591	68%	0.683	S	S	*	*				-134.4	-171.6	-91.9	28.4	-6.6	0	0	0	115.3
111	H	34.5	Very low	31.6	Very low	151 Å²	151	141.1 Å²	141.1	70%	0.699	69%	0.687	S	S	*	*			trans	96.9	108.6	162.8	-71.6	-77.8	0	0	0	120.7
112	Y	34	Very low	31.3	Very low	191 Å²	191	141.3 Å²	141.3	75%	0.749	69%	0.693	S	S	*	*				72.1	122.3	129.5	-80.2	-130	0	0	0	117.3
113	D	29.8	Very low	31.3	Very low	119 Å²	119	142.7 Å²	142.7	64%	0.636	69%	0.693	S	S	*	*				86.1	139.9	60	-68.5	-19.1	0	0	0	111.5
114	T	31.3	Very low	31.1	Very low	103 Å²	103	145.6 Å²	145.6	63%	0.632	71%	0.708	S	S	*	*			cis	-161.4	164.9	0.5	19.3	0	0	0	0	111.5
115	E	30.2	Very low	31	Very low	167 Å²	167	143.3 Å²	143.3	78%	0.78	70%	0.702	S	S	*	*			trans	27.3	124.6	141.7	-56.9	168.1	132.9	0	0	122.3
116	I	37.3	Very low	31	Very low	169 Å²	169	144.8 Å²	144.8	87%	0.867	72%	0.715	S	S	*	*				-148.6	94.6	118.6	-63.1	-166.3	0	0	0	105.4
117	D	30.2	Very low	31	Very low	92 Å²	92	143.1 Å²	143.1	49%	0.492	71%	0.707	S	S	.	*				56.5	99.4	79.2	-159.2	38.4	0	0	0	113.1	Q119	D117-Q119 PolarHBondContact OD2-NE2 3.32Å
118	S	28.3	Very low	31.4	Very low	102 Å²	102	141 Å²	141	71%	0.713	70%	0.701	S	S	*	*				70.5	-167.2	70.3	123.1	0	0	0	0	114.6
119	Q	33	Very low	31.2	Very low	137 Å²	137	139.5 Å²	139.5	64%	0.64	70%	0.697	S	S	*	*			trans	63.6	65.5	174.5	-51.9	-163.2	60.9	0	0	119.7	D117	D117-Q119 PolarHBondContact OD2-NE2 3.32Å
120	F	34.7	Very low	31.3	Very low	185 Å²	185	141.4 Å²	141.4	81%	0.811	70%	0.696	S	S	*	*				178	89.9	124.7	-117.1	-94.5	0	0	0	108.5
121	K	27.4	Very low	31.2	Very low	153 Å²	153	144.6 Å²	144.6	67%	0.665	71%	0.705	S	S	*	*			cis	63.6	104.3	26.3	-139.2	-173	-178.1	173.4	0	113.5
122	Q	27.7	Very low	30.8	Very low	143 Å²	143	143.3 Å²	143.3	67%	0.668	70%	0.697	S	S	*	*			trans	74.2	151.9	162.6	-61	150.1	-72.1	0	0	118.2
123	R	30.7	Very low	30.7	Very low	204 Å²	204	141.3 Å²	141.3	77%	0.77	71%	0.705	S	S	*	*			trans	70.4	112.1	179	-51.8	137.6	-172	-118.8	3.2	112.7	I125	R123-I125 HydrophobicContact CB-CD1 4.17Å; R123-I125 HydrophobicContact CG-CD1 3.9Å
124	I	33.5	Very low	30.6	Very low	167 Å²	167	141 Å²	141	86%	0.856	70%	0.703	S	S	*	*	S	Bend	cis	-109.7	107.7	12.3	-65.2	170.8	0	0	0	108.3
125	I	31.8	Very low	30.5	Very low	107 Å²	107	144.8 Å²	144.8	55%	0.549	71%	0.71	S	S	.	*				68.9	93.2	77.4	-65.8	159.9	0	0	0	111.8	R123 H127	R123-I125 HydrophobicContact CB-CD1 4.17Å; R123-I125 HydrophobicContact CG-CD1 3.9Å; I125-H127 PolarHBondContact O-N 2.97Å
126	T	29.9	Very low	30.5	Very low	136 Å²	136	141.7 Å²	141.7	83%	0.834	71%	0.707	S	S	*	*			trans	-16.3	112.1	135.8	39.4	0	0	0	0	114.4
127	H	30.5	Very low	29.9	Very low	155 Å²	155	140.5 Å²	140.5	72%	0.718	70%	0.702	S	S	*	*			trans	-135.4	123.6	160	-156.5	56.2	0	0	0	109.6	I125	I125-H127 PolarHBondContact O-N 2.97Å
128	N	34.5	Very low	29.7	Very low	118 Å²	118	143.3 Å²	143.3	63%	0.631	71%	0.714	S	S	*	*			trans	53.9	97.8	171.2	-51.3	-20.8	0	0	0	115.4
129	Q	26.4	Very low	29.6	Very low	152 Å²	152	148.3 Å²	148.3	71%	0.71	72%	0.718	S	S	*	*			cis	57.4	124.9	25.7	-118	-170.1	-6.4	0	0	113.7
130	Q	27.6	Very low	29.2	Very low	127 Å²	127	149.3 Å²	149.3	59%	0.593	72%	0.723	S	S	*	*			trans	60	55	145.1	-64.7	174.4	10	0	0	119.8	K132	Q130-K132 HydrophobicContact CB-CG 4.23Å
131	M	30.7	Very low	28.8	Very low	159 Å²	159	146.2 Å²	146.2	78%	0.783	72%	0.719	S	S	*	*				-94.6	96.8	108.8	-77.5	-66.4	-155.3	0	0	106	L134	M131-L134 HydrophobicContact CE-CD1 4.3Å; M131-L134 HydrophobicContact SD-CD1 3.77Å
132	K	28.2	Very low	28.7	Very low	124 Å²	124	144.4 Å²	144.4	54%	0.539	73%	0.725	S	S	.	*				54.9	113.8	71.6	-60.7	173.3	178	173.1	0	110.2	Q130 L134	Q130-K132 HydrophobicContact CB-CG 4.23Å; K132-L134 HydrophobicContact CB-CD1 4.46Å; K132-L134 PolarHBondContact O-N 2.83Å; K132-L134 VanDerWaalsContact O-N 3.12Å
133	T	31	Very low	28.6	Very low	149 Å²	149	146.2 Å²	146.2	91%	0.914	73%	0.733	S	S	*	*				40.6	41.9	72.9	64.3	0	0	0	0	113.6
134	L	28.1	Very low	28.4	Very low	113 Å²	113	141 Å²	141	59%	0.592	73%	0.726	S	S	*	*			trans	-120.1	88.7	171.5	-106.5	160.7	0	0	0	110.4	M131 K132	M131-L134 HydrophobicContact CE-CD1 4.3Å; M131-L134 HydrophobicContact SD-CD1 3.77Å; K132-L134 HydrophobicContact CB-CD1 4.46Å; K132-L134 PolarHBondContact O-N 2.83Å; K132-L134 VanDerWaalsContact O-N 3.12Å
135	K	28.3	Very low	27.9	Very low	181 Å²	181	141.1 Å²	141.1	79%	0.787	72%	0.72	S	S	*	*			trans	81.6	124.7	177.4	-51.2	171.6	-175.6	179.1	0	116
136	S	29.7	Very low	27.7	Very low	102 Å²	102	144.8 Å²	144.8	71%	0.713	74%	0.735	S	S	*	*			cis	57.1	114.3	-1.8	-160.6	0	0	0	0	117.8
137	L	24.8	Very low	27.6	Very low	145 Å²	145	145.5 Å²	145.5	76%	0.759	73%	0.728	S	S	*	*			trans	75.1	142.7	174.6	-52.7	144.4	0	0	0	115.9
138	M	26.1	Very low	27.5	Very low	150 Å²	150	143.3 Å²	143.3	74%	0.739	73%	0.728	S	S	*	*			trans	66.6	113.7	164.5	-56	156.6	79.7	0	0	115.3
139	Y	27.3	Very low	27	Very low	207 Å²	207	143.3 Å²	143.3	81%	0.812	73%	0.728	S	S	*	*			cis	-135	147.4	7.4	-87.5	-111.5	0	0	0	108
140	Q	24.1	Very low	27	Very low	158 Å²	158	144.8 Å²	144.8	74%	0.738	73%	0.732	S	S	*	*			cis	77	132.8	8.8	-145.8	-178.5	2.8	0	0	117.8
141	V	25.4	Very low	27	Very low	120 Å²	120	147.2 Å²	147.2	73%	0.727	74%	0.737	S	S	*	*			trans	77.3	151.9	173.6	-161.2	0	0	0	0	115.5
142	C	26.1	Very low	26.9	Very low	116 Å²	116	149.1 Å²	149.1	78%	0.784	74%	0.737	S	S	*	*			trans	69.8	120.8	-176.6	-59.9	0	0	0	0	113.8
143	Q	25.3	Very low	26.8	Very low	181 Å²	181	148.9 Å²	148.9	85%	0.846	74%	0.742	S	S	*	*			cis	55.4	145.8	20.3	-84.5	-159.5	1.8	0	0	115.2
144	P	27.7	Very low	26.6	Very low	95 Å²	95	150.5 Å²	150.5	62%	0.617	74%	0.736	S	S	*	*			cis	-142.2	-167.5	-26.6	38.7	-19.4	0	0	0	113.6
145	F	22.9	Very low	26.6	Very low	168 Å²	168	151.8 Å²	151.8	74%	0.737	74%	0.742	S	S	*	*			trans	72.6	177.5	153.9	-93	-79.3	0	0	0	121.3	H147	F145-H147 AromaticContact CD1-CD2 3.67Å; F145-H147 AromaticContact CE1-CD2 3.69Å; F145-H147 AromaticContact CE1-NE2 3.7Å
146	E	26.4	Very low	26.4	Very low	185 Å²	185	148.3 Å²	148.3	86%	0.864	74%	0.741	S	S	*	*			trans	77.7	96.9	-173.8	-57	-173.7	-176.8	0	0	114.6
147	H	28	Very low	26.5	Very low	150 Å²	150	148.3 Å²	148.3	69%	0.694	74%	0.738	S	S	*	*			cis	61.6	135.7	44.1	-76	-44.2	0	0	0	113.8	F145	F145-H147 AromaticContact CD1-CD2 3.67Å; F145-H147 AromaticContact CE1-CD2 3.69Å; F145-H147 AromaticContact CE1-NE2 3.7Å
148	P	28.5	Very low	26.6	Very low	109 Å²	109	148.1 Å²	148.1	71%	0.708	74%	0.738	S	S	*	*			cis	-141.7	167.4	48.6	41.8	-24	0	0	0	119.2
149	D	24.4	Very low	26.8	Very low	118 Å²	118	150.9 Å²	150.9	63%	0.631	75%	0.746	S	S	*	*			trans	11.8	130.2	146.9	-35.3	-38.6	0	0	0	121.6
150	K	26.5	Very low	26.6	Very low	183 Å²	183	145.6 Å²	145.6	80%	0.796	74%	0.739	S	S	*	*				-175.7	132.4	95.8	-99.4	144	-174.5	164.6	0	116.9
151	Y	26.6	Very low	26.9	Very low	178 Å²	178	145.9 Å²	145.9	70%	0.698	74%	0.744	S	S	*	*			trans	32.8	134.6	132.7	-67.4	-112.8	0	0	0	119.6
152	Y	29.6	Very low	26.8	Very low	199 Å²	199	146.4 Å²	146.4	78%	0.78	74%	0.743	S	S	*	*			cis	-137.4	135.5	23.2	-93	-104.6	0	0	0	110.3
153	N	25.8	Very low	27	Very low	120 Å²	120	148.2 Å²	148.2	64%	0.642	74%	0.743	S	S	*	*				61	105.6	78.3	-73.3	-34.7	0	0	0	117.2
154	K	27.1	Very low	26.8	Very low	183 Å²	183	143.7 Å²	143.7	80%	0.796	73%	0.732	S	S	*	*				173.3	126.6	109.6	-95.4	-176.8	173.4	-174.6	0	115.1
155	I	27.7	Very low	26.7	Very low	140 Å²	140	146 Å²	146	72%	0.718	74%	0.737	S	S	*	*			trans	58.8	112.1	132.7	-58.2	167.3	0	0	0	116.7
156	S	24.7	Very low	26.8	Very low	108 Å²	108	145.9 Å²	145.9	76%	0.755	74%	0.739	S	S	*	*				67.3	161.4	50.2	-123	0	0	0	0	113.1
157	P	30.6	Very low	26.7	Very low	102 Å²	102	143.8 Å²	143.8	66%	0.662	73%	0.733	S	S	*	*			cis	-132.1	169.7	32.5	43.9	-28	0	0	0	117.2
158	D	28.4	Very low	26.6	Very low	140 Å²	140	142.9 Å²	142.9	75%	0.749	73%	0.734	S	S	*	*			trans	56.3	144.7	144.3	-59	-10.4	0	0	0	122.1
159	K	28.8	Very low	26.3	Very low	208 Å²	208	144.7 Å²	144.7	90%	0.904	73%	0.733	S	S	*	*			cis	-124.7	153.8	9.6	-74.1	-176.4	176.2	-179.8	0	113.6
160	S	24.9	Very low	26.3	Very low	97 Å²	97	145.4 Å²	145.4	68%	0.678	73%	0.732	S	S	*	*			trans	-116.2	148.6	167.6	51.2	0	0	0	0	111.7
161	I	29.1	Very low	26.1	Very low	163 Å²	163	143.1 Å²	143.1	84%	0.836	73%	0.725	S	S	*	*			trans	-150.2	104.4	151.8	-64.8	-169.1	0	0	0	104.2
162	N	24.6	Very low	25.9	Very low	131 Å²	131	142 Å²	142	70%	0.701	73%	0.726	S	S	*	*				55.9	100.8	80.7	-78	6.2	0	0	0	112.8
163	I	28.3	Very low	25.6	Very low	154 Å²	154	138.1 Å²	138.1	79%	0.79	72%	0.723	S	S	*	*				162.7	123.9	94.5	-89.7	144.5	0	0	0	103.1
164	S	22.8	Very low	25.4	Very low	87 Å²	87	139.5 Å²	139.5	61%	0.608	73%	0.73	S	S	*	*			cis	99.8	130	37.8	76.7	0	0	0	0	113.4
165	I	24.6	Very low	25.2	Very low	142 Å²	142	138.5 Å²	138.5	73%	0.728	73%	0.728	S	S	*	*			trans	82.9	144.9	156.1	-63.2	161.9	0	0	0	117.8
166	E	24.7	Very low	25	Very low	167 Å²	167	138.2 Å²	138.2	78%	0.78	73%	0.726	S	S	*	*			trans	61.5	125.7	168.2	-79	145.4	-144.9	0	0	117.6
167	N	24.9	Very low	25.1	Very low	140 Å²	140	140.6 Å²	140.6	75%	0.749	73%	0.725	S	S	*	*				91.3	138.2	54.4	-83.7	-16.8	0	0	0	113.7
168	N	25.3	Very low	24.8	Very low	132 Å²	132	140.9 Å²	140.9	71%	0.706	73%	0.725	S	S	*	*			trans	68.6	120.2	161.7	-65.1	-0.4	0	0	0	120.5
169	Q	23.1	Very low	24.6	Very low	146 Å²	146	144 Å²	144	68%	0.682	73%	0.727	S	S	*	*				70.4	115.9	128.3	-66.7	-179	-85.3	0	0	121.5
170	E	23.8	Very low	24.5	Very low	133 Å²	133	140.9 Å²	140.9	62%	0.621	72%	0.716	S	S	*	*				78.7	129.7	119.1	-70.9	179.3	-135.3	0	0	123.1
171	Q	22.4	Very low	24.3	Very low	136 Å²	136	144.4 Å²	144.4	64%	0.636	72%	0.722	S	S	*	*			trans	82.4	139.9	135.1	-76.1	-173.8	65.5	0	0	121.7
172	Q	23.1	Very low	24.1	Very low	153 Å²	153	140.8 Å²	140.8	72%	0.715	72%	0.716	S	S	*	*			trans	62.3	111.2	151.2	-65	176.4	41.9	0	0	117.9
173	T	22	Very low	24	Very low	119 Å²	119	141.2 Å²	141.2	73%	0.73	71%	0.714	S	S	*	*				71	141.2	66.6	65.1	0	0	0	0	116.3
174	L	21.6	Very low	23.7	Very low	149 Å²	149	143.3 Å²	143.3	78%	0.78	71%	0.712	S	S	*	*			trans	85.4	103.5	166.4	-95.1	72.8	0	0	0	120.5
175	H	23.9	Very low	23.8	Very low	162 Å²	162	143.1 Å²	143.1	75%	0.75	72%	0.715	S	S	*	*				80.9	136.8	115.2	-97	-27.8	0	0	0	124.4
176	I	23.4	Very low	23.8	Very low	134 Å²	134	143 Å²	143	69%	0.687	72%	0.716	S	S	*	*			trans	106.6	139	133.8	-77	163.6	0	0	0	120.8
177	H	27.7	Very low	23.9	Very low	158 Å²	158	141.1 Å²	141.1	73%	0.731	72%	0.716	S	S	*	*			trans	70.6	83.2	165	-77.4	-48.9	0	0	0	124
178	T	23.8	Very low	24.1	Very low	108 Å²	108	138.7 Å²	138.7	66%	0.663	72%	0.716	S	S	*	*				44	150.9	108.7	62.1	0	0	0	0	124.3
179	Y	23.1	Very low	24.5	Very low	204 Å²	204	137 Å²	137	80%	0.8	71%	0.714	S	S	*	*			trans	97.5	141.4	149.2	-98.7	-77.7	0	0	0	120.7
180	H	27.4	Very low	24.9	Very low	143 Å²	143	137.6 Å²	137.6	66%	0.662	72%	0.717	S	S	*	*			trans	60	127	174	-63.6	-71.1	0	0	0	116.9
181	Q	21.8	Very low	25.2	Very low	171 Å²	171	138.8 Å²	138.8	80%	0.799	72%	0.724	S	S	*	*			cis	93.3	132.7	45.7	-83.1	-172.6	-32	0	0	114.6
182	A	23.9	Very low	25.4	Very low	87 Å²	87	139.5 Å²	139.5	72%	0.719	73%	0.73	S	S	*	*			trans	73.1	119.7	152.3	0	0	0	0	0	121.4
183	E	22.8	Very low	25.7	Very low	141 Å²	141	139 Å²	139	66%	0.659	73%	0.731	S	S	*	*				58.8	133.2	123.5	-60.7	-157.5	106.6	0	0	124.2
184	R	22.2	Very low	25.8	Very low	198 Å²	198	139 Å²	139	75%	0.747	73%	0.731	S	S	*	*			trans	81	129	142.4	-74.3	176.3	-158.3	109.5	10	122.6
185	A	24.7	Very low	26	Very low	82 Å²	82	136 Å²	136	68%	0.678	72%	0.723	S	S	*	*				64.9	134.1	127.6	0	0	0	0	0	122.6
186	D	24.5	Very low	26.3	Very low	139 Å²	139	136.2 Å²	136.2	74%	0.743	72%	0.724	S	S	*	*				173.1	124	106.6	-91.8	-13.4	0	0	0	111.8
187	T	25.7	Very low	26.4	Very low	128 Å²	128	136.6 Å²	136.6	79%	0.785	73%	0.726	S	S	*	*				65.6	154.4	107.1	81.2	0	0	0	0	116.3
188	A	30.6	Very low	26.3	Very low	90 Å²	90	133.1 Å²	133.1	74%	0.744	72%	0.719	S	S	*	*			cis	-148.2	175.4	-3.8	0	0	0	0	0	107.8
189	S	32.7	Very low	26.8	Very low	95 Å²	95	137.7 Å²	137.7	66%	0.664	73%	0.73	S	S	*	*			cis	-154	-149.4	-1.8	-152.7	0	0	0	0	106.3
190	H	32.9	Very low	27.1	Very low	159 Å²	159	135.1 Å²	135.1	74%	0.736	73%	0.725	S	S	*	*			cis	-159.2	139.8	3.3	-131.8	-50.4	0	0	0	110.1
191	M	28.3	Very low	27.5	Very low	158 Å²	158	135.8 Å²	135.8	78%	0.778	73%	0.728	S	S	*	*			trans	65.1	137.9	171.3	-61.5	-173.4	178.9	0	0	116.9
192	M	28.3	Very low	28.1	Very low	152 Å²	152	133.1 Å²	133.1	75%	0.749	72%	0.719	S	S	*	*			cis	-151.4	156.3	7.4	-130.3	176.9	-159.7	0	0	111
193	L	27.7	Very low	28.2	Very low	143 Å²	143	138.2 Å²	138.2	75%	0.749	73%	0.725	S	S	*	*			trans	66.4	102.9	165.2	-61	169.3	0	0	0	116.5
194	T	25.6	Very low	28.4	Very low	119 Å²	119	139 Å²	139	73%	0.73	73%	0.729	S	S	*	*				64.4	138	84.5	61.8	0	0	0	0	114.9
195	S	25	Very low	28.6	Very low	86 Å²	86	136.4 Å²	136.4	60%	0.601	72%	0.723	S	S	*	*			cis	175.4	167.2	-3.4	47.5	0	0	0	0	109.9
196	H	30.4	Very low	29.2	Very low	166 Å²	166	143.2 Å²	143.2	77%	0.769	73%	0.731	S	S	*	*			trans	66.3	160	163.3	-64.7	-69.7	0	0	0	118.3
197	L	26.1	Very low	29.8	Very low	142 Å²	142	142 Å²	142	74%	0.743	73%	0.725	S	S	*	*			cis	-160.2	153.6	-44.5	-151.8	80.6	0	0	0	110.5
198	S	24	Very low	30.1	Very low	84 Å²	84	143.6 Å²	143.6	59%	0.587	73%	0.729	S	S	*	*			trans	47.9	111.6	148.8	61.1	0	0	0	0	122.5	H200	S198-H200 VanDerWaalsContact C-N 3.26Å; S198-H200 PolarHBondContact O-N 2.91Å
199	K	34.4	Very low	29.9	Very low	204 Å²	204	147.4 Å²	147.4	89%	0.887	73%	0.731	S	S	*	*	S	Bend		52.5	1.2	125.2	-71.8	-172.1	174.4	-177.9	0	122.2	L202	K199-L202 VanDerWaalsContact O-CD1 3.24Å; K199-L202 WeakPolarHBondContact O-CD1 3.32Å
200	H	29.8	Very low	29.7	Very low	151 Å²	151	148.6 Å²	148.6	70%	0.699	73%	0.729	S	S	*	*			trans	-148.3	106	159.1	-148.2	-79.9	0	0	0	104.1	S198	S198-H200 VanDerWaalsContact C-N 3.26Å; S198-H200 PolarHBondContact O-N 2.91Å
201	Q	37.3	Very low	29.3	Very low	156 Å²	156	148.7 Å²	148.7	73%	0.729	73%	0.728	S	S	*	*				-127.3	56.8	88.3	-57.7	-169.9	-32.1	0	0	112.9
202	L	33.3	Very low	29.3	Very low	115 Å²	115	147.3 Å²	147.3	60%	0.602	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.2	147.2	158.9	-80.6	74.6	0	0	0	110	K199 Q204	K199-L202 VanDerWaalsContact O-CD1 3.24Å; K199-L202 WeakPolarHBondContact O-CD1 3.32Å; L202-Q204 PolarHBondContact O-N 3.01Å
203	K	26	Very low	29.3	Very low	194 Å²	194	144.1 Å²	144.1	84%	0.843	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.8	29.2	145.6	-156.9	-172.5	175.3	-179.5	0	117.4
204	Q	27.1	Very low	29.4	Very low	159 Å²	159	146.6 Å²	146.6	74%	0.743	71%	0.711	S	S	*	*	S	Bend	trans	-152.2	22.7	152	-117.2	154.9	17.1	0	0	117	L202	L202-Q204 PolarHBondContact O-N 3.01Å
205	F	26.6	Very low	29.6	Very low	143 Å²	143	149.1 Å²	149.1	63%	0.627	72%	0.719	S	S	*	*			trans	-143.3	103.1	167.1	-64.6	-66.6	0	0	0	107.8	D207	F205-D207 VanDerWaalsContact CA-OD1 3.27Å; F205-D207 WeakPolarHBondContact CA-OD1 3.28Å; F205-D207 VanDerWaalsContact CB-OD1 3.22Å; F205-D207 WeakPolarHBondContact CB-OD1 3.45Å; F205-D207 WeakPolarHBondContact CD1-OD1 3.32Å
206	R	36.1	Very low	29.4	Very low	224 Å²	224	151.6 Å²	151.6	85%	0.845	72%	0.721	S	S	*	*			cis	81.1	66.1	-19.8	-145.5	179.5	-157.5	-153.4	3.6	118
207	D	37.6	Very low	29.3	Very low	115 Å²	115	153.5 Å²	153.5	62%	0.615	73%	0.727	S	S	*	*			trans	-124.7	112.8	-143.9	-66.1	-49.8	0	0	0	117	F205	F205-D207 VanDerWaalsContact CA-OD1 3.27Å; F205-D207 WeakPolarHBondContact CA-OD1 3.28Å; F205-D207 VanDerWaalsContact CB-OD1 3.22Å; F205-D207 WeakPolarHBondContact CB-OD1 3.45Å; F205-D207 WeakPolarHBondContact CD1-OD1 3.32Å
208	N	32.4	Very low	29.3	Very low	161 Å²	161	150.7 Å²	150.7	86%	0.861	72%	0.715	S	S	*	*			trans	-97.5	82.8	159.4	-83.3	-72.1	0	0	0	109.9
209	H	26	Very low	29.4	Very low	169 Å²	169	151.7 Å²	151.7	78%	0.782	71%	0.714	S	S	*	*			trans	-149.5	134.7	162.5	-89	-55.1	0	0	0	111.5
210	D	28.1	Very low	28.9	Very low	120 Å²	120	154 Å²	154	64%	0.642	72%	0.717	S	S	*	*			cis	-154.1	162.5	-25.9	-144.5	-25.9	0	0	0	111.9
211	K	25.3	Very low	28.7	Very low	162 Å²	162	156.1 Å²	156.1	70%	0.704	72%	0.724	S	S	*	*			trans	-55.8	155.8	159.4	-58.7	155.5	178.2	162.9	0	110.3
212	H	29.1	Very low	28	Very low	129 Å²	129	154.6 Å²	154.6	60%	0.597	72%	0.717	S	S	*	*			trans	72.5	104.9	149.9	-65.2	-45.9	0	0	0	120.9	R214	H212-R214 HydrophobicContact CB-CG 3.74Å
213	S	27.9	Very low	27.6	Very low	85 Å²	85	154.9 Å²	154.9	59%	0.594	72%	0.724	S	S	*	*	S	Bend		-138.9	69.9	112.2	68.1	0	0	0	0	110
214	R	29.8	Very low	27.5	Very low	195 Å²	195	152.8 Å²	152.8	74%	0.736	72%	0.72	S	S	*	*				56.2	94.7	103.5	-65.9	172.4	-175.1	167.2	7.1	112.5	H212	H212-R214 HydrophobicContact CB-CG 3.74Å
215	I	30.1	Very low	27.4	Very low	172 Å²	172	154.8 Å²	154.8	88%	0.882	72%	0.721	S	S	*	*	S	Bend	cis	-110.8	2.4	-1.3	-57.4	172.3	0	0	0	110.4
216	Q	20.9	Very low	27.2	Very low	138 Å²	138	155.1 Å²	155.1	65%	0.645	73%	0.73	S	S	*	*			trans	-138.8	146.4	-169.2	-63	178.6	1.9	0	0	112.1	T218	Q216-T218 HydrophobicContact CB-CG2 4.19Å; Q216-T218 HydrophobicContact CG-CG2 4.42Å; Q216-T218 PolarHBondContact OE1-OG1 2.93Å
217	K	27.6	Very low	26.6	Very low	206 Å²	206	155.3 Å²	155.3	90%	0.896	73%	0.73	S	S	*	*			trans	-126.2	73.8	148.7	-115.3	-178.2	-178.6	177.5	0	109
218	T	25.8	Very low	25.9	Very low	82 Å²	82	155.5 Å²	155.5	50%	0.503	74%	0.736	S	S	.	*			trans	-75.1	175.8	173.6	36.6	0	0	0	0	111.3	Q216	Q216-T218 HydrophobicContact CB-CG2 4.19Å; Q216-T218 HydrophobicContact CG-CG2 4.42Å; Q216-T218 PolarHBondContact OE1-OG1 2.93Å
219	N	26	Very low	25.4	Very low	106 Å²	106	152 Å²	152	57%	0.567	73%	0.73	S	S	*	*			trans	73.6	70.5	159.3	-58.8	-13.2	0	0	0	118.6	Q222	N219-Q222 WeakPolarHBondContact OD1-CB 3.01Å; N219-Q222 WeakPolarHBondContact OD1-CG 3.25Å
220	R	23.8	Very low	25.2	Very low	251 Å²	251	148.9 Å²	148.9	95%	0.947	73%	0.727	S	S	*	*	S	Bend		-117.1	132.6	116.4	-135.9	173	-174.4	-179.4	1.8	107.6
221	K	26.5	Very low	25.1	Very low	196 Å²	196	148.4 Å²	148.4	85%	0.852	73%	0.733	S	S	*	*	S	Bend	trans	67.1	47.5	-170.7	-58.1	-172.7	176.7	-178.4	0	117.2
222	Q	22.6	Very low	25.1	Very low	124 Å²	124	150.1 Å²	150.1	58%	0.579	74%	0.736	S	S	*	*			trans	-95.1	85.9	135.9	-84	-157.8	-6.8	0	0	109.9	N219	N219-Q222 WeakPolarHBondContact OD1-CB 3.01Å; N219-Q222 WeakPolarHBondContact OD1-CG 3.25Å
223	T	23.9	Very low	25	Very low	121 Å²	121	149.7 Å²	149.7	74%	0.742	74%	0.738	S	S	*	*			trans	-161.2	99.9	163.1	3.4	0	0	0	0	102.1
224	I	25.1	Very low	24.8	Very low	150 Å²	150	152.4 Å²	152.4	77%	0.769	75%	0.746	S	S	*	*			cis	-130.8	130.7	40.6	-67.4	128.2	0	0	0	112.6
225	R	23.5	Very low	24.6	Very low	202 Å²	202	150.5 Å²	150.5	76%	0.762	75%	0.749	S	S	*	*			trans	-101.5	158.4	142.3	-90.6	-179.5	167.4	174.2	-5.3	107.3
226	N	23.3	Very low	24.3	Very low	150 Å²	150	147.5 Å²	147.5	80%	0.802	74%	0.743	S	S	*	*			trans	66.8	58.4	170.7	-58	2.2	0	0	0	117.7
227	R	23.3	Very low	24.6	Very low	228 Å²	228	147.8 Å²	147.8	86%	0.86	75%	0.749	S	S	*	*				-134.5	117	119.3	-74.8	-169.2	177.9	174.1	-1.1	106.8
228	T	22.3	Very low	24.4	Very low	118 Å²	118	146.3 Å²	146.3	72%	0.724	74%	0.739	S	S	*	*				56.2	86.1	60.9	73.2	0	0	0	0	113.6
229	A	22.1	Very low	24.5	Very low	89 Å²	89	150.1 Å²	150.1	74%	0.736	76%	0.755	S	S	*	*	S	Bend	trans	62.8	145.4	135.9	0	0	0	0	0	121.5
230	S	23.2	Very low	24.6	Very low	103 Å²	103	150.9 Å²	150.9	72%	0.72	76%	0.757	S	S	*	*			trans	48.6	68	148.3	58.7	0	0	0	0	118.6
231	S	26.1	Very low	24.6	Very low	110 Å²	110	144 Å²	144	77%	0.769	74%	0.739	S	S	*	*			trans	-156.2	124.8	135.8	-81.9	0	0	0	0	107.2
232	Y	24.5	Very low	24.4	Very low	197 Å²	197	140.4 Å²	140.4	77%	0.773	73%	0.733	S	S	*	*				57.1	128.2	56.4	-70.1	-108.6	0	0	0	112.5
233	N	26.4	Very low	24.5	Very low	120 Å²	120	143 Å²	143	64%	0.642	74%	0.738	S	S	*	*			cis	-162	164.2	-21.4	-115.3	-1.6	0	0	0	107.9
234	N	24.5	Very low	24.5	Very low	142 Å²	142	139.6 Å²	139.6	76%	0.759	73%	0.728	S	S	*	*			trans	73.1	168.4	167.7	-50.1	-27.1	0	0	0	118.2
235	I	24.4	Very low	24.4	Very low	156 Å²	156	139.7 Å²	139.7	80%	0.8	72%	0.724	S	S	*	*	S	Bend	trans	63.1	54.2	178.8	-37.4	-175.1	0	0	0	115.5
236	S	24.7	Very low	24.6	Very low	109 Å²	109	140.5 Å²	140.5	76%	0.762	73%	0.728	S	S	*	*	S	Bend	trans	-165.3	-29.1	145.9	-80.7	0	0	0	0	110	Y238	S236-Y238 PolarHBondContact O-N 3.03Å
237	N	28	Very low	24.9	Very low	144 Å²	144	135.9 Å²	135.9	77%	0.77	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	32.7	162.5	-66.2	-24.9	0	0	0	113.3
238	Y	23.4	Very low	25.1	Very low	175 Å²	175	129.4 Å²	129.4	69%	0.686	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.7	29.8	173.8	-141.2	-93.6	0	0	0	113.5	S236 M240	S236-Y238 PolarHBondContact O-N 3.03Å; Y238-M240 CarbonylContact C-O 3.57Å; Y238-M240 VanDerWaalsContact C-O 3.29Å
239	I	26	Very low	25.5	Very low	161 Å²	161	125 Å²	125	83%	0.826	66%	0.663	S	S	*	*			trans	-142.1	74	149.8	-47.4	177.1	0	0	0	107.7
240	M	28.2	Very low	25.9	Very low	123 Å²	123	129.8 Å²	129.8	61%	0.606	66%	0.663	S	S	*	*			cis	48.2	101.8	-1.8	-67.4	-64.1	-70.9	0	0	117	Y238	Y238-M240 CarbonylContact C-O 3.57Å; Y238-M240 VanDerWaalsContact C-O 3.29Å
241	N	24	Very low	26.1	Very low	107 Å²	107	127.3 Å²	127.3	57%	0.572	64%	0.64	S	S	*	*	S	Bend	trans	83.7	149.5	-175.8	-51.8	-33.2	0	0	0	114.6
242	V	23	Very low	26.3	Very low	120 Å²	120	129.9 Å²	129.9	73%	0.727	65%	0.645	S	S	*	*	S	Bend	trans	74.2	95.9	-175.1	-171.3	0	0	0	0	114.5
243	Y	24.6	Very low	26.4	Very low	178 Å²	178	126.7 Å²	126.7	70%	0.698	64%	0.637	S	S	*	*	S	Bend	trans	56.9	129	180	-43.5	-67.2	0	0	0	116.4	S265	Y243-S265 PolarHBondContact OH-O 2.03Å
244	G	23.3	Very low	26.7	Very low	50 Å²	50	124.6 Å²	124.6	52%	0.515	62%	0.623	S	S	.	*			cis	160.2	132.7	3.5	0	0	0	0	0	106.3
245	H	24.4	Very low	27.1	Very low	152 Å²	152	121.2 Å²	121.2	70%	0.704	61%	0.61	S	S	*	*			trans	-29.6	131.4	-165.3	-63.4	-34.9	0	0	0	117.1
246	R	27.3	Very low	27.6	Very low	219 Å²	219	114.2 Å²	114.2	83%	0.826	57%	0.574	S	S	*	*			trans	-125.4	119.4	161.6	-72.6	-171.8	177.1	-170.4	-1.9	109.1
247	Q	28.5	Very low	27.9	Very low	53 Å²	53	113.4 Å²	113.4	25%	0.248	56%	0.557	C	S	.	*			trans	-109.2	120.5	-176.4	-58.5	-170.2	62.1	0	0	110	V258 R804	Q247-V258 HydrophobicContact CB-CG2 4.27Å; Q247-V258 WeakPolarHBondContact O-CG2 3.45Å; Q247-R804 VanDerWaalsContact OE1-NE 3.12Å
248	S	27.9	Very low	28.2	Very low	92 Å²	92	107.1 Å²	107.1	64%	0.643	52%	0.524	S	S	*	.	B	Isolated β-bridge	trans	-85.7	138.8	162.7	51.7	0	0	0	0	110	R804	S248-R804 PolarHBondContact O-NH2 3.34Å
249	V	30.9	Very low	28.6	Very low	24 Å²	24	102.8 Å²	102.8	15%	0.145	51%	0.512	C	S	.	.			trans	-107.8	138	169.8	-175.4	0	0	0	0	107.2	M251 G802	V249-M251 HydrophobicContact CG1-CE 4.38Å; V249-M251 PolarHBondContact O-N 3.28Å; V249-G802 VanDerWaalsContact CG2-CA 3.5Å
250	R	29.8	Very low	28.7	Very low	191 Å²	191	98.2 Å²	98.2	72%	0.721	49%	0.489	S	S	*	.			trans	-95.6	92.5	-171.5	-165.6	175.1	-168.8	134.3	10.9	110.6	D1718	R250-D1718 IonicContact CZ-OD2 2.98Å; R250-D1718 IonicContact NH1-OD2 3.45Å; R250-D1718 PolarHBondContact NH1-OD2 3.12Å; R250-D1718 IonicContact NH2-OD2 2.6Å; R250-D1718 PolarHBondContact NH2-OD2 2.74Å
251	M	28.1	Very low	28.8	Very low	50 Å²	50	100 Å²	100	25%	0.246	50%	0.496	C	S	.	.			trans	-116	146.5	170.3	-66.4	-171.3	175.3	0	0	110.5	V249 Q253 I256 W793 E794	V249-M251 HydrophobicContact CG1-CE 4.38Å; V249-M251 PolarHBondContact O-N 3.28Å; M251-Q253 PolarHBondContact O-N 3.49Å; M251-I256 HydrophobicContact SD-CD1 4.37Å; M251-W793 HydrophobicContact CE-CB 3.98Å; M251-W793 HydrophobicContact CE-CD2 3.82Å; M251-W793 HydrophobicContact CE-CE3 3.47Å; M251-W793 VanDerWaalsContact CE-CE3 3.47Å; M251-W793 HydrophobicContact CE-CG 4.07Å; M251-W793 HydrophobicContact CE-CZ3 4.2Å; M251-W793 HydrophobicContact SD-CD2 3.9Å; M251-W793 HydrophobicContact SD-CE3 3.59Å; M251-W793 VanDerWaalsContact SD-CE3 3.59Å; M251-W793 HydrophobicContact SD-CH2 4.31Å; M251-W793 HydrophobicContact SD-CZ3 3.82Å; M251-E794 HydrophobicContact CE-CB 4.29Å; M251-E794 VanDerWaalsContact CE-N 3.34Å
252	D	29.7	Very low	29	Very low	164 Å²	164	98.7 Å²	98.7	88%	0.877	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	126.1	-179.5	-76.1	-49.6	0	0	0	111.7	K254	D252-K254 PolarHBondContact O-N 3.45Å
253	Q	28.1	Very low	29.2	Very low	131 Å²	131	98.2 Å²	98.2	61%	0.612	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	8.1	169.3	-54.3	-170.4	-1.5	0	0	119.4	M251	M251-Q253 PolarHBondContact O-N 3.49Å
254	K	32.5	Very low	29.2	Very low	76 Å²	76	95.3 Å²	95.3	33%	0.33	50%	0.502	S	S	.	.			trans	-136.7	120.2	165.7	-69.4	-172.7	-176.8	178.7	0	112.1	D252 I256 F311 E559	D252-K254 PolarHBondContact O-N 3.45Å; K254-I256 PolarHBondContact O-N 2.98Å; K254-F311 HydrophobicContact CB-CD1 4.07Å; K254-F311 HydrophobicContact CD-CD1 3.56Å; K254-F311 HydrophobicContact CD-CE1 3.83Å; K254-F311 HydrophobicContact CD-CG 4.35Å; K254-F311 HydrophobicContact CG-CD1 4.41Å; K254-E559 IonicContact NZ-OE1 2.74Å; K254-E559 PolarHBondContact NZ-OE1 3.27Å
255	S	31.4	Very low	29.4	Very low	70 Å²	70	97.6 Å²	97.6	49%	0.49	51%	0.51	S	S	.	.			trans	-73.8	117.8	170.2	45.4	0	0	0	0	110.7	Q312	S255-Q312 PolarHBondContact O-N 3.42Å; S255-Q312 VanDerWaalsContact O-N 3.14Å; S255-Q312 PolarHBondContact OG-O 3.2Å
256	I	35.3	Very low	29.4	Very low	10 Å²	10	96.7 Å²	96.7	5%	0.051	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.7	176.7	-56.4	176.8	0	0	0	108.5	M251 K254 L309 F311 W793	M251-I256 HydrophobicContact SD-CD1 4.37Å; K254-I256 PolarHBondContact O-N 2.98Å; I256-L309 HydrophobicContact CG2-CB 3.81Å; I256-L309 HydrophobicContact CG2-CD1 4.33Å; I256-L309 HydrophobicContact CG2-CD2 3.86Å; I256-L309 HydrophobicContact CG2-CG 4.21Å; I256-F311 HydrophobicContact CD1-CD1 4.13Å; I256-F311 HydrophobicContact CD1-CE1 4.12Å; I256-F311 HydrophobicContact CG1-CD1 3.98Å; I256-F311 HydrophobicContact CG1-CE1 4.47Å; I256-W793 HydrophobicContact CD1-CH2 3.8Å; I256-W793 HydrophobicContact CD1-CZ3 3.62Å
257	F	31.2	Very low	29.4	Very low	91 Å²	91	93.3 Å²	93.3	40%	0.399	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.3	174.9	-71.6	-99.6	0	0	0	109.5	S310 Q312	F257-S310 PolarHBondContact N-O 3.11Å; F257-Q312 HydrophobicContact CD2-CB 3.97Å; F257-Q312 HydrophobicContact CE2-CB 4.2Å; F257-Q312 VanDerWaalsContact CE2-OE1 3.26Å
258	V	34	Very low	29.3	Very low	13 Å²	13	96.1 Å²	96.1	8%	0.079	55%	0.545	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	123	169.1	175.6	0	0	0	0	108.9	Q247 D260 P307 L309	Q247-V258 HydrophobicContact CB-CG2 4.27Å; Q247-V258 WeakPolarHBondContact O-CG2 3.45Å; V258-D260 VanDerWaalsContact CG1-OD1 3.3Å; V258-D260 WeakPolarHBondContact CG1-OD1 3.03Å; V258-D260 PolarHBondContact O-N 3.39Å; V258-P307 HydrophobicContact CG1-CB 3.74Å; V258-L309 HydrophobicContact CG2-CD2 3.76Å
259	I	31.9	Very low	29.1	Very low	84 Å²	84	96 Å²	96	43%	0.431	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	88	172.9	-54.2	178.1	0	0	0	108.6	H261	I259-H261 PolarHBondContact O-N 3.14Å
260	D	29.5	Very low	28.9	Very low	65 Å²	65	100.6 Å²	100.6	35%	0.348	58%	0.579	S	S	.	*			trans	-78.4	105.3	175.9	-82.2	-21.6	0	0	0	110.6	V258 S262	V258-D260 VanDerWaalsContact CG1-OD1 3.3Å; V258-D260 WeakPolarHBondContact CG1-OD1 3.03Å; V258-D260 PolarHBondContact O-N 3.39Å; D260-S262 PolarHBondContact O-N 2.97Å; D260-S262 VanDerWaalsContact O-N 3.07Å
261	H	29.2	Very low	28.7	Very low	161 Å²	161	97.5 Å²	97.5	75%	0.745	58%	0.582	S	S	*	*			trans	-76.5	85	170.8	-74.5	-90.2	0	0	0	110.7	I259	I259-H261 PolarHBondContact O-N 3.14Å
262	S	28.5	Very low	28.6	Very low	78 Å²	78	101.6 Å²	101.6	55%	0.545	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-79.3	127.4	175.2	61.3	0	0	0	0	112	D260	D260-S262 PolarHBondContact O-N 2.97Å; D260-S262 VanDerWaalsContact O-N 3.07Å
263	S	27.3	Very low	28.4	Very low	111 Å²	111	101.2 Å²	101.2	78%	0.776	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-82.4	162.6	-174	50.3	0	0	0	0	114.7
264	S	24.6	Very low	28.1	Very low	116 Å²	116	105.8 Å²	105.8	81%	0.811	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-54.1	134.3	-167.1	55.5	0	0	0	0	117.6
265	S	27.6	Very low	27.8	Very low	98 Å²	98	113.2 Å²	113.2	69%	0.685	65%	0.645	S	S	*	*			trans	-156.5	153.2	134.8	46.9	0	0	0	0	110.3	Y243	Y243-S265 PolarHBondContact OH-O 2.03Å
266	T	24	Very low	27.5	Very low	134 Å²	134	115.3 Å²	115.3	82%	0.822	66%	0.66	S	S	*	*			trans	-114.1	134	-158.2	50.8	0	0	0	0	114.7
267	V	26.4	Very low	27.1	Very low	147 Å²	147	121 Å²	121	89%	0.891	70%	0.695	S	S	*	*			trans	-149.6	153.4	147.8	173.7	0	0	0	0	109.1
268	S	26.6	Very low	26.9	Very low	113 Å²	113	122.9 Å²	122.9	79%	0.79	71%	0.714	S	S	*	*			trans	-74.1	162	-170.6	49.5	0	0	0	0	117.8
269	A	24.2	Very low	26.5	Very low	88 Å²	88	127.4 Å²	127.4	73%	0.727	75%	0.746	S	S	*	*			trans	-80	176.4	174.7	0	0	0	0	0	113.6
270	P	27.5	Very low	26.3	Very low	121 Å²	121	129.5 Å²	129.5	79%	0.786	76%	0.757	S	S	*	*				-147.4	169	80	40.2	-22.2	0	0	0	118.3
271	T	25.1	Very low	26	Very low	126 Å²	126	134.6 Å²	134.6	77%	0.773	78%	0.778	S	S	*	*			trans	-33.4	145.7	171	54.5	0	0	0	0	120.5
272	T	25.5	Very low	25.9	Very low	136 Å²	136	135.6 Å²	135.6	83%	0.834	78%	0.783	S	S	*	*				-161.6	156.1	120.7	-22.1	0	0	0	0	113.4
273	I	26.1	Very low	25.7	Very low	157 Å²	157	137.8 Å²	137.8	81%	0.805	79%	0.793	S	S	*	*			trans	67.4	99.4	165.5	-47.4	-176.4	0	0	0	118.3
274	Y	22.1	Very low	25.8	Very low	227 Å²	227	137.4 Å²	137.4	89%	0.89	79%	0.788	S	S	*	*			trans	-113.7	169.8	154.3	-133.3	-100.9	0	0	0	108.8
275	R	25.7	Very low	25.8	Very low	232 Å²	232	139.4 Å²	139.4	88%	0.875	78%	0.784	S	S	*	*			trans	82.9	106.2	176.6	-53.9	176.5	171.7	-179.3	-3.1	117.1
276	S	24.4	Very low	26	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	77%	0.772	S	S	*	*				174.8	79.3	102.5	66.3	0	0	0	0	115
277	V	28.4	Very low	26.3	Very low	130 Å²	130	136.7 Å²	136.7	79%	0.788	76%	0.763	S	S	*	*			trans	-150.3	105.4	138.3	-178.8	0	0	0	0	107.8
278	T	25.9	Very low	26.3	Very low	130 Å²	130	132.6 Å²	132.6	80%	0.798	75%	0.745	S	S	*	*			trans	-103.9	98.1	168.7	44.9	0	0	0	0	109.4	I280	T278-I280 HydrophobicContact CG2-CD1 4.35Å
279	S	26.8	Very low	26.4	Very low	107 Å²	107	131.9 Å²	131.9	75%	0.748	73%	0.732	S	S	*	*			trans	-137.1	70	161.7	59.3	0	0	0	0	107
280	I	26	Very low	26.8	Very low	128 Å²	128	133.3 Å²	133.3	66%	0.656	72%	0.724	S	S	*	*			trans	-87.7	130.5	-169.3	-63.2	165	0	0	0	109.2	T278	T278-I280 HydrophobicContact CG2-CD1 4.35Å
281	H	24.1	Very low	26.9	Very low	173 Å²	173	134.8 Å²	134.8	80%	0.801	72%	0.724	S	S	*	*			trans	-160.2	150	136.4	-88.7	-66.3	0	0	0	107.7
282	H	26.1	Very low	27.1	Very low	182 Å²	182	132.6 Å²	132.6	84%	0.843	71%	0.714	S	S	*	*			trans	63.2	54.8	177.7	-57.4	89.5	0	0	0	117.3
283	V	25.9	Very low	27.4	Very low	123 Å²	123	129.4 Å²	129.4	75%	0.745	70%	0.701	S	S	*	*			trans	-102.5	119.7	143.5	178.6	0	0	0	0	106.9
284	P	27.5	Very low	27.6	Very low	104 Å²	104	127.5 Å²	127.5	68%	0.675	69%	0.693	S	S	*	*			trans	-63	135.6	-178.8	-24.8	35.1	0	0	0	112.8	A286	P284-A286 PolarHBondContact O-N 2.89Å; P284-A286 VanDerWaalsContact O-N 3.09Å
285	H	26.2	Very low	27.9	Very low	157 Å²	157	123.4 Å²	123.4	73%	0.727	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-18	-176.7	-115.4	-92.2	0	0	0	114.6	L287 A288	H285-L287 VanDerWaalsContact C-N 3.33Å; H285-L287 PolarHBondContact O-N 3.01Å; H285-A288 PolarHBondContact O-N 3.48Å
286	A	30.8	Very low	28.1	Very low	53 Å²	53	121.2 Å²	121.2	44%	0.438	69%	0.686	S	S	.	*	H	α-helix	trans	-55.8	-41.6	-176.3	0	0	0	0	0	113.7	P284 A288 N289 E290	P284-A286 PolarHBondContact O-N 2.89Å; P284-A286 VanDerWaalsContact O-N 3.09Å; A286-A288 PolarHBondContact O-N 2.66Å; A286-N289 PolarHBondContact O-N 3.21Å; A286-E290 PolarHBondContact O-N 2.86Å
287	L	30.8	Very low	28.4	Very low	123 Å²	123	119.5 Å²	119.5	64%	0.644	68%	0.679	S	S	*	*	H	α-helix	trans	-72.7	-11.2	-174.5	-150.8	77.2	0	0	0	113.7	H285	H285-L287 VanDerWaalsContact C-N 3.33Å; H285-L287 PolarHBondContact O-N 3.01Å
288	A	26.8	Very low	28.3	Very low	60 Å²	60	120.5 Å²	120.5	50%	0.496	68%	0.68	S	S	.	*	H	α-helix	trans	-83.2	-33.7	173.3	0	0	0	0	0	112	H285 A286	H285-A288 PolarHBondContact O-N 3.48Å; A286-A288 PolarHBondContact O-N 2.66Å
289	N	29.3	Very low	28.4	Very low	98 Å²	98	122.6 Å²	122.6	52%	0.524	68%	0.678	S	S	.	*	H	α-helix	trans	-81.3	-31.4	-173.2	-67	6.8	0	0	0	112.7	A286 L291 S292 A293	A286-N289 PolarHBondContact O-N 3.21Å; N289-L291 PolarHBondContact O-N 2.92Å; N289-L291 VanDerWaalsContact O-N 3.17Å; N289-S292 PolarHBondContact O-N 3.08Å; N289-S292 VanDerWaalsContact O-N 3.08Å; N289-S292 PolarHBondContact O-OG 2.89Å; N289-A293 PolarHBondContact O-N 2.82Å
290	E	32.1	Very low	28.6	Very low	118 Å²	118	125.8 Å²	125.8	55%	0.551	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-25.5	174.4	-69.8	-175.4	145.5	0	0	112.8	A286 N294	A286-E290 PolarHBondContact O-N 2.86Å; E290-N294 PolarHBondContact O-ND2 3.04Å
291	L	29.6	Very low	28.7	Very low	152 Å²	152	125.7 Å²	125.7	80%	0.796	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-10.3	178.5	-74.6	165.7	0	0	0	114.1	N289	N289-L291 PolarHBondContact O-N 2.92Å; N289-L291 VanDerWaalsContact O-N 3.17Å
292	S	28.3	Very low	28.9	Very low	81 Å²	81	125.7 Å²	125.7	57%	0.566	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	-22.7	176.9	54.8	0	0	0	0	114.2	N289	N289-S292 PolarHBondContact O-N 3.08Å; N289-S292 VanDerWaalsContact O-N 3.08Å; N289-S292 PolarHBondContact O-OG 2.89Å
293	A	31.8	Very low	29.3	Very low	68 Å²	68	124 Å²	124	56%	0.562	68%	0.68	S	S	*	*	S	Bend	trans	-85.3	-20.9	-172.7	0	0	0	0	0	115.4	N289 N295	N289-A293 PolarHBondContact O-N 2.82Å; A293-N295 VanDerWaalsContact C-N 3.31Å; A293-N295 PolarHBondContact O-N 3.1Å
294	N	29.9	Very low	29.9	Very low	117 Å²	117	122.4 Å²	122.4	63%	0.626	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	11.3	-167.5	-81.2	-68	0	0	0	116	E290 E296	E290-N294 PolarHBondContact O-ND2 3.04Å; N294-E296 VanDerWaalsContact C-N 3.31Å; N294-E296 PolarHBondContact O-N 2.03Å
295	N	28.6	Very low	30.8	Very low	142 Å²	142	125.1 Å²	125.1	76%	0.759	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-9	178	-79.9	-38.4	0	0	0	114.3	A293	A293-N295 VanDerWaalsContact C-N 3.31Å; A293-N295 PolarHBondContact O-N 3.1Å
296	E	30.9	Very low	32.2	Very low	186 Å²	186	119.3 Å²	119.3	87%	0.869	65%	0.651	S	S	*	*	S	Bend	trans	-109.4	-3.8	-173.2	-59.4	-169.6	132.6	0	0	114.4	N294 N298	N294-E296 VanDerWaalsContact C-N 3.31Å; N294-E296 PolarHBondContact O-N 2.03Å; E296-N298 VanDerWaalsContact C-N 3.29Å; E296-N298 PolarHBondContact O-N 3.3Å
297	A	30.1	Very low	33.1	Very low	77 Å²	77	117.9 Å²	117.9	64%	0.636	64%	0.637	S	S	*	*			trans	-82.4	15.4	-175	0	0	0	0	0	115.8	K299	A297-K299 PolarHBondContact O-N 2.95Å
298	N	26.7	Very low	34.2	Very low	152 Å²	152	113.4 Å²	113.4	81%	0.813	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	73.1	-178.3	-89.2	-53.2	0	0	0	112.7	E296	E296-N298 VanDerWaalsContact C-N 3.29Å; E296-N298 PolarHBondContact O-N 3.3Å
299	K	28.2	Very low	35.4	Very low	173 Å²	173	110.8 Å²	110.8	75%	0.752	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.6	-20.2	170.8	-119.5	166.8	-175.8	-178.7	0	119.6	A297 N301	A297-K299 PolarHBondContact O-N 2.95Å; K299-N301 PolarHBondContact O-ND2 2.73Å
300	D	30.4	Very low	36.1	Very low	175 Å²	175	107.1 Å²	107.1	94%	0.936	57%	0.573	S	S	*	*	S	Bend	trans	-91.9	118.5	176.2	-92.7	-37.4	0	0	0	112.7
301	N	29.7	Very low	36.7	Very low	125 Å²	125	103 Å²	103	67%	0.668	55%	0.553	S	S	*	*			trans	-101.3	123.7	-165	-88.8	-78.5	0	0	0	115.4	K299 Q303	K299-N301 PolarHBondContact O-ND2 2.73Å; N301-Q303 PolarHBondContact O-N 2.72Å
302	Q	28.1	Very low	37.1	Very low	173 Å²	173	100.5 Å²	100.5	81%	0.808	54%	0.537	S	S	*	.	S	Bend	trans	62.5	42.3	138.8	-56.6	-176.4	-9.9	0	0	119.4
303	Q	32.8	Very low	37.5	Very low	148 Å²	148	103.9 Å²	103.9	69%	0.692	54%	0.539	S	S	*	.	S	Bend	trans	-141.9	11	174.5	-127.3	177.5	13.7	0	0	119	N301 S1837	N301-Q303 PolarHBondContact O-N 2.72Å; Q303-S1837 PolarHBondContact NE2-OG 3.31Å
304	N	40.5	Very low	37.9	Very low	89 Å²	89	103.8 Å²	103.8	48%	0.476	53%	0.531	S	S	.	.			trans	-148.5	88.1	173.6	-87.7	-79.5	0	0	0	112.6	N306	N304-N306 VanDerWaalsContact C-N 3.32Å
305	N	46.1	Very low	38.7	Very low	161 Å²	161	104.3 Å²	104.3	86%	0.861	53%	0.53	S	S	*	.			trans	-91.9	16.7	172.9	-70.7	8.5	0	0	0	113.2
306	N	54.1	Low	40.2	Very low	35 Å²	35	99.8 Å²	99.8	19%	0.187	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-76.4	132.7	179.8	-72	-8.8	0	0	0	110.3	N304 I308 S715 N718	N304-N306 VanDerWaalsContact C-N 3.32Å; N306-I308 PolarHBondContact O-N 3.33Å; N306-S715 PolarHBondContact ND2-O 3.37Å; N306-N718 PolarHBondContact ND2-ND2 3.24Å
307	P	49.8	Very low	42.4	Very low	23 Å²	23	91.6 Å²	91.6	15%	0.149	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-59.8	133.4	-176.3	23.8	-34.4	0	0	0	111.8	V258 I800	V258-P307 HydrophobicContact CG1-CB 3.74Å; P307-I800 VanDerWaalsContact CD-CG2 3.5Å; P307-I800 HydrophobicContact CG-CG2 3.59Å
308	I	54.7	Low	45	Very low	29 Å²	29	88.5 Å²	88.5	15%	0.149	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	119.1	172.5	-66.7	169.9	0	0	0	107.8	N306 W676 R712	N306-I308 PolarHBondContact O-N 3.33Å; I308-W676 HydrophobicContact CD1-CZ2 3.9Å; I308-W676 HydrophobicContact CG1-CH2 4.11Å; I308-W676 HydrophobicContact CG1-CZ2 3.87Å; I308-W676 HydrophobicContact CG2-CH2 4.11Å; I308-W676 HydrophobicContact CG2-CZ2 4.37Å; I308-R712 HydrophobicContact CG2-CB 4.34Å
309	L	52.7	Low	48.1	Very low	5 Å²	5	81.3 Å²	81.3	3%	0.026	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	109	173.3	-59.1	-169	0	0	0	109.6	I256 V258 R712 M713 W793 L801	I256-L309 HydrophobicContact CG2-CB 3.81Å; I256-L309 HydrophobicContact CG2-CD1 4.33Å; I256-L309 HydrophobicContact CG2-CD2 3.86Å; I256-L309 HydrophobicContact CG2-CG 4.21Å; V258-L309 HydrophobicContact CG2-CD2 3.76Å; L309-R712 WeakPolarHBondContact O-CA 3.2Å; L309-M713 HydrophobicContact CB-CG 3.86Å; L309-M713 HydrophobicContact CD1-CG 4.49Å; L309-M713 PolarHBondContact N-O 2.7Å; L309-M713 PolarHBondContact O-N 2.91Å; L309-W793 HydrophobicContact CD1-CZ3 4.27Å; L309-L801 HydrophobicContact CD1-CB 3.9Å; L309-L801 HydrophobicContact CD1-CD2 4.36Å
310	S	43.8	Very low	51.1	Low	21 Å²	21	73.1 Å²	73.1	15%	0.147	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128	161.7	55.1	0	0	0	0	109.6	F257	F257-S310 PolarHBondContact N-O 3.11Å
311	F	44	Very low	54.1	Low	31 Å²	31	64.8 Å²	64.8	14%	0.136	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	150.7	163.1	-54.5	-85.8	0	0	0	109.6	K254 I256 T709 M713 W793	K254-F311 HydrophobicContact CB-CD1 4.07Å; K254-F311 HydrophobicContact CD-CD1 3.56Å; K254-F311 HydrophobicContact CD-CE1 3.83Å; K254-F311 HydrophobicContact CD-CG 4.35Å; K254-F311 HydrophobicContact CG-CD1 4.41Å; I256-F311 HydrophobicContact CD1-CD1 4.13Å; I256-F311 HydrophobicContact CD1-CE1 4.12Å; I256-F311 HydrophobicContact CG1-CD1 3.98Å; I256-F311 HydrophobicContact CG1-CE1 4.47Å; F311-T709 HydrophobicContact CB-CG2 3.69Å; F311-T709 PolarHBondContact O-OG1 3.04Å; F311-M713 HydrophobicContact CE2-CE 4.01Å; F311-M713 HydrophobicContact CZ-CE 3.87Å; F311-W793 AromaticContact CE1-CH2 3.53Å; F311-W793 HydrophobicContact CE1-CH2 3.53Å; F311-W793 HydrophobicContact CE1-CZ2 4.01Å; F311-W793 AromaticContact CZ-CH2 3.49Å; F311-W793 HydrophobicContact CZ-CH2 3.49Å; F311-W793 VanDerWaalsContact CZ-CH2 3.49Å; F311-W793 AromaticContact CZ-CZ2 3.79Å; F311-W793 HydrophobicContact CZ-CZ2 3.79Å
312	Q	38.6	Very low	57.2	Low	100 Å²	100	58.8 Å²	58.8	47%	0.467	29%	0.293	S	S	.	.			trans	-133.6	131.8	176.5	-165.6	166.9	5.4	0	0	112.3	S255 F257	S255-Q312 PolarHBondContact O-N 3.42Å; S255-Q312 VanDerWaalsContact O-N 3.14Å; S255-Q312 PolarHBondContact OG-O 3.2Å; F257-Q312 HydrophobicContact CD2-CB 3.97Å; F257-Q312 HydrophobicContact CE2-CB 4.2Å; F257-Q312 VanDerWaalsContact CE2-OE1 3.26Å
313	Y	35.9	Very low	60.4	Low	152 Å²	152	50.6 Å²	50.6	60%	0.596	25%	0.254	S	S	*	.			trans	54.4	120.1	177.9	-122.2	-99.3	0	0	0	117	H707	Y313-H707 HydrophobicContact CE2-CB 4.49Å
314	V	39.7	Very low	63.2	Low	66 Å²	66	43.5 Å²	43.5	40%	0.4	22%	0.221	S	C	.	.			trans	-125.8	132.9	163.7	-175.5	0	0	0	0	106.5
315	E	48.3	Very low	65.7	Low	127 Å²	127	39.5 Å²	39.5	59%	0.593	20%	0.2	S	C	*	.	P	Polyproline II helix	trans	-69.4	150.7	178.6	-67.7	176.7	155.2	0	0	110.7	H317	E315-H317 PolarHBondContact O-N 3.38Å
316	P	58.8	Low	67.6	Low	48 Å²	48	31.9 Å²	31.9	31%	0.312	16%	0.159	S	C	.	.	P	Polyproline II helix	trans	-64.9	131.4	-177.8	27.2	-34.4	0	0	0	110.9	T318 Q362	P316-T318 PolarHBondContact O-N 2.93Å; P316-T318 PolarHBondContact O-OG1 2.66Å; P316-Q362 HydrophobicContact CB-CG 4.27Å
317	H	77.3	Confident	69	Low	13 Å²	13	31.7 Å²	31.7	6%	0.06	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	122.8	179.8	-63.6	90.2	0	0	0	109.3	E315 I361 Q362 I558 L566	E315-H317 PolarHBondContact O-N 3.38Å; H317-I361 CarbonylContact O-C 3.53Å; H317-I361 VanDerWaalsContact O-CA 3.31Å; H317-I361 WeakPolarHBondContact O-CA 3.16Å; H317-Q362 PolarHBondContact O-N 2.76Å; H317-I558 WeakPolarHBondContact CE1-CG2 3.25Å; H317-I558 WeakPolarHBondContact NE2-CG2 3.3Å; H317-L566 CarbonylContact C-O 3.54Å; H317-L566 VanDerWaalsContact CA-O 3.31Å; H317-L566 WeakPolarHBondContact CA-O 3Å; H317-L566 HydrophobicContact CB-CB 4.22Å
318	T	84.8	Confident	70.7	Confident	12 Å²	12	32.9 Å²	32.9	7%	0.074	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.4	-175	-58.2	0	0	0	0	109.7	P316 Q362 N364 L566 L569	P316-T318 PolarHBondContact O-N 2.93Å; P316-T318 PolarHBondContact O-OG1 2.66Å; T318-Q362 CarbonylContact C-O 3.57Å; T318-Q362 WeakPolarHBondContact CA-O 3.36Å; T318-Q362 HydrophobicContact CG2-CB 4.4Å; T318-N364 HydrophobicContact CG2-CB 4.36Å; T318-N364 WeakPolarHBondContact CG2-ND2 3.34Å; T318-L566 PolarHBondContact N-O 3.48Å; T318-L566 VanDerWaalsContact O-CA 3.26Å; T318-L566 WeakPolarHBondContact O-CA 3.32Å; T318-L566 WeakPolarHBondContact O-CB 3.37Å; T318-L566 VanDerWaalsContact O-CD2 3.24Å; T318-L566 WeakPolarHBondContact O-CD2 3.21Å; T318-L569 HydrophobicContact CG2-CD2 4.02Å
319	V	91.1	Very high	72.3	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	114.9	172.2	177.6	0	0	0	0	108.7	I361 Q362 L363 N364 M434 L566	V319-I361 HydrophobicContact CG2-CG2 3.68Å; V319-Q362 PolarHBondContact N-O 2.99Å; V319-L363 HydrophobicContact CB-CD1 4.27Å; V319-L363 HydrophobicContact CG1-CD1 4.23Å; V319-N364 PolarHBondContact O-N 2.84Å; V319-M434 HydrophobicContact CG1-CE 3.97Å; V319-M434 HydrophobicContact CG1-SD 4.43Å; V319-M434 HydrophobicContact CG2-CE 4.31Å; V319-L566 HydrophobicContact CB-CD2 4.44Å; V319-L566 HydrophobicContact CG2-CD2 3.86Å
320	E	91.3	Very high	73.9	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	108.2	170.4	-63.1	-176.7	125.5	0	0	109.5	N364 V366 W410 D411 S412 N570 S571	E320-N364 WeakPolarHBondContact CA-O 3.4Å; E320-V366 HydrophobicContact CB-CG2 3.77Å; E320-W410 CarbonylContact O-C 3.58Å; E320-D411 HydrophobicContact CB-CB 4.44Å; E320-D411 WeakPolarHBondContact CB-OD2 3.41Å; E320-D411 PolarHBondContact N-OD2 3.29Å; E320-D411 PolarHBondContact O-N 3.17Å; E320-S412 PolarHBondContact O-N 2.95Å; E320-S412 VanDerWaalsContact O-N 3.14Å; E320-N570 VanDerWaalsContact CD-N 3.3Å; E320-N570 PolarHBondContact OE1-N 2.84Å; E320-N570 WeakPolarHBondContact OE2-CA 3.44Å; E320-N570 WeakPolarHBondContact OE2-CB 3.09Å; E320-N570 PolarHBondContact OE2-N 3.36Å; E320-N570 PolarHBondContact OE2-ND2 2.97Å; E320-S571 WeakPolarHBondContact OE1-CB 3.44Å; E320-S571 PolarHBondContact OE1-N 2.81Å
321	L	94.1	Very high	75.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124	-173.7	-176.9	64.2	0	0	0	112	V323 M345 L363 N364 V365 V366 S412 I414	L321-V323 HydrophobicContact CD2-CG2 4.41Å; L321-V323 HydrophobicContact CG-CG2 4.37Å; L321-M345 HydrophobicContact CD2-SD 4Å; L321-L363 HydrophobicContact CB-CD1 3.87Å; L321-L363 HydrophobicContact CD2-CD1 4.02Å; L321-N364 PolarHBondContact N-O 3.18Å; L321-V365 CarbonylContact O-C 3.55Å; L321-V365 WeakPolarHBondContact O-CA 3.4Å; L321-V366 PolarHBondContact O-N 3.03Å; L321-S412 WeakPolarHBondContact CA-O 3.06Å; L321-I414 HydrophobicContact CD1-CB 4.29Å; L321-I414 HydrophobicContact CD1-CG2 3.96Å; L321-I414 HydrophobicContact CD2-CG2 4.07Å; L321-I414 HydrophobicContact CG-CG2 4.07Å
322	L	94.7	Very high	77.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.3	168.6	173.4	60.4	0	0	0	110.3	V324 D367 I369 V400 W410 S412 A413 I414	L322-V324 HydrophobicContact CG-CG2 4.3Å; L322-D367 HydrophobicContact CD1-CB 3.84Å; L322-I369 HydrophobicContact CD1-CD1 3.94Å; L322-I369 HydrophobicContact CD1-CG1 4.1Å; L322-I369 HydrophobicContact CD2-CD1 4.2Å; L322-I369 HydrophobicContact CG-CD1 4.5Å; L322-V400 HydrophobicContact CD2-CG2 3.54Å; L322-W410 HydrophobicContact CB-CB 3.95Å; L322-W410 HydrophobicContact CB-CD2 3.89Å; L322-W410 HydrophobicContact CB-CE3 4.29Å; L322-W410 HydrophobicContact CB-CG 3.71Å; L322-W410 HydrophobicContact CD2-CD2 3.7Å; L322-W410 HydrophobicContact CD2-CE3 3.64Å; L322-W410 HydrophobicContact CD2-CG 4.41Å; L322-W410 HydrophobicContact CD2-CH2 3.89Å; L322-W410 HydrophobicContact CD2-CZ2 3.98Å; L322-W410 HydrophobicContact CD2-CZ3 3.74Å; L322-W410 HydrophobicContact CG-CD2 4.44Å; L322-S412 PolarHBondContact N-O 3.1Å; L322-A413 HydrophobicContact CB-CB 4.02Å; L322-A413 HydrophobicContact CD2-CB 4.45Å; L322-A413 HydrophobicContact CG-CB 4.43Å; L322-A413 CarbonylContact O-C 3.49Å; L322-A413 VanDerWaalsContact O-CA 3.26Å; L322-A413 WeakPolarHBondContact O-CA 3.45Å; L322-I414 PolarHBondContact O-N 3.48Å
323	V	94.7	Very high	80.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.5	-179.9	-178.8	0	0	0	0	110.5	L321 V325 M345 V365 D367 I368 I369 I414 L416	L321-V323 HydrophobicContact CD2-CG2 4.41Å; L321-V323 HydrophobicContact CG-CG2 4.37Å; V323-V325 HydrophobicContact CG1-CG2 4.08Å; V323-M345 HydrophobicContact CG1-CE 4.06Å; V323-M345 HydrophobicContact CG2-CE 3.57Å; V323-M345 HydrophobicContact CG2-SD 4.09Å; V323-V365 HydrophobicContact CB-CG1 4.48Å; V323-V365 HydrophobicContact CG2-CG1 3.76Å; V323-V365 HydrophobicContact CG2-CG2 4.37Å; V323-D367 PolarHBondContact N-O 3.45Å; V323-I368 HydrophobicContact CB-CG1 4.23Å; V323-I368 HydrophobicContact CB-CG2 4.44Å; V323-I368 HydrophobicContact CG1-CG2 4.25Å; V323-I368 CarbonylContact O-C 3.49Å; V323-I368 WeakPolarHBondContact O-CA 3.49Å; V323-I369 PolarHBondContact O-N 2.85Å; V323-I414 HydrophobicContact CB-CG2 4.08Å; V323-I414 HydrophobicContact CG1-CG2 4.16Å; V323-I414 HydrophobicContact CG2-CG2 3.77Å; V323-L416 HydrophobicContact CG1-CD1 3.98Å
324	V	93.1	Very high	82.6	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.8	-179.5	-172.3	0	0	0	0	109.4	L322 I369 L371 F396 W399 I414 L415 L416	L322-V324 HydrophobicContact CG-CG2 4.3Å; V324-I369 CarbonylContact C-O 3.51Å; V324-I369 VanDerWaalsContact CA-O 3.31Å; V324-I369 WeakPolarHBondContact CA-O 3.46Å; V324-I369 HydrophobicContact CG1-CB 4.4Å; V324-I369 HydrophobicContact CG2-CB 4.35Å; V324-L371 HydrophobicContact CG1-CB 4.33Å; V324-L371 HydrophobicContact CG1-CD1 4.35Å; V324-F396 HydrophobicContact CB-CE2 4.08Å; V324-F396 HydrophobicContact CB-CZ 4.43Å; V324-F396 HydrophobicContact CG1-CE2 4.37Å; V324-F396 HydrophobicContact CG2-CE2 3.92Å; V324-F396 HydrophobicContact CG2-CZ 4.1Å; V324-W399 HydrophobicContact CB-CZ3 4.46Å; V324-W399 HydrophobicContact CG1-CH2 3.86Å; V324-W399 HydrophobicContact CG1-CZ3 3.73Å; V324-W399 HydrophobicContact CG2-CH2 4.46Å; V324-W399 HydrophobicContact CG2-CZ3 4.02Å; V324-I414 WeakPolarHBondContact CB-O 3.45Å; V324-I414 PolarHBondContact N-O 2.59Å; V324-L415 HydrophobicContact CB-CD1 4.06Å; V324-L415 HydrophobicContact CG1-CD1 3.82Å; V324-L415 CarbonylContact O-C 3.53Å; V324-L415 WeakPolarHBondContact O-CA 3.23Å; V324-L416 PolarHBondContact O-N 3.45Å
325	V	91.5	Very high	84.9	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.024	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.3	-168.4	-179.5	0	0	0	0	109.8	V323 M329 I337 L341 I368 I369 L371 L416	V323-V325 HydrophobicContact CG1-CG2 4.08Å; V325-M329 HydrophobicContact CG1-CB 3.93Å; V325-M329 HydrophobicContact CG1-CG 4.02Å; V325-M329 HydrophobicContact CG1-SD 3.91Å; V325-I337 HydrophobicContact CG1-CD1 4.3Å; V325-L341 HydrophobicContact CG2-CD1 3.88Å; V325-L341 HydrophobicContact CG2-CD2 4.14Å; V325-I368 HydrophobicContact CG2-CG2 4.07Å; V325-I369 PolarHBondContact N-O 3.14Å; V325-L371 WeakPolarHBondContact O-CB 3.33Å; V325-L371 PolarHBondContact O-N 3.07Å; V325-L416 HydrophobicContact CG2-CD1 4.48Å
326	T	87.5	Confident	86.8	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	153.6	176.5	57	0	0	0	0	113.3	T328 M329 K330 L371 W384 L416 N417	T326-T328 PolarHBondContact O-N 3.4Å; T326-T328 PolarHBondContact OG1-OG1 3.42Å; T326-M329 WeakPolarHBondContact O-CB 3.36Å; T326-M329 PolarHBondContact O-N 2.83Å; T326-M329 VanDerWaalsContact O-N 3.08Å; T326-K330 PolarHBondContact O-N 2.76Å; T326-K330 VanDerWaalsContact O-N 3.15Å; T326-L371 HydrophobicContact CG2-CD2 4.4Å; T326-W384 HydrophobicContact CG2-CH2 4.18Å; T326-L416 PolarHBondContact N-O 3.18Å; T326-L416 VanDerWaalsContact N-O 3.13Å; T326-L416 PolarHBondContact OG1-O 3.49Å; T326-N417 HydrophobicContact CG2-CB 3.78Å; T326-N417 VanDerWaalsContact CG2-CG 3.49Å; T326-N417 WeakPolarHBondContact OG1-CA 3.04Å; T326-N417 PolarHBondContact OG1-OD1 3.47Å
327	E	83.6	Confident	88.2	Confident	32 Å²	32	35 Å²	35	15%	0.15	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-31.4	174.9	-174.9	59.6	-150.8	0	0	112.3	M329 K330 Q331 P373	E327-M329 VanDerWaalsContact C-N 3.33Å; E327-M329 PolarHBondContact O-N 3.27Å; E327-K330 PolarHBondContact O-N 2.81Å; E327-K330 IonicContact OE1-NZ 3.25Å; E327-K330 PolarHBondContact OE1-NZ 3.25Å; E327-K330 IonicContact OE2-NZ 3.44Å; E327-K330 PolarHBondContact OE2-NZ 2.82Å; E327-Q331 HydrophobicContact CG-CG 4.48Å; E327-Q331 WeakPolarHBondContact O-CB 3.37Å; E327-Q331 VanDerWaalsContact O-CG 3.24Å; E327-Q331 WeakPolarHBondContact O-CG 3.35Å; E327-Q331 PolarHBondContact O-N 3.27Å; E327-P373 HydrophobicContact CB-CB 4.32Å; E327-P373 HydrophobicContact CG-CB 4.4Å; E327-P373 HydrophobicContact CG-CG 4.34Å
328	T	84.3	Confident	88.7	Confident	47 Å²	47	38.9 Å²	38.9	29%	0.288	20%	0.2	S	C	.	.	H	α-helix	trans	-62.1	-37.9	173.2	52.3	0	0	0	0	112.5	T326 Q331 K332 N417	T326-T328 PolarHBondContact O-N 3.4Å; T326-T328 PolarHBondContact OG1-OG1 3.42Å; T328-Q331 PolarHBondContact O-N 2.74Å; T328-K332 WeakPolarHBondContact O-CG 3.15Å; T328-K332 PolarHBondContact O-N 2.91Å; T328-K332 VanDerWaalsContact O-N 3.14Å; T328-N417 PolarHBondContact OG1-OD1 2.79Å
329	M	87.8	Confident	88.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68	-47.2	175	-174	168.8	175.8	0	0	110.7	V325 T326 E327 Q331 K332 F333 I337 Y340 L341 L416 V418 D446	V325-M329 HydrophobicContact CG1-CB 3.93Å; V325-M329 HydrophobicContact CG1-CG 4.02Å; V325-M329 HydrophobicContact CG1-SD 3.91Å; T326-M329 WeakPolarHBondContact O-CB 3.36Å; T326-M329 PolarHBondContact O-N 2.83Å; T326-M329 VanDerWaalsContact O-N 3.08Å; E327-M329 VanDerWaalsContact C-N 3.33Å; E327-M329 PolarHBondContact O-N 3.27Å; M329-Q331 VanDerWaalsContact C-N 3.3Å; M329-Q331 PolarHBondContact O-N 3.18Å; M329-K332 PolarHBondContact O-N 2.75Å; M329-K332 VanDerWaalsContact O-N 3.09Å; M329-F333 HydrophobicContact CE-CD2 4.21Å; M329-F333 HydrophobicContact CE-CE2 3.78Å; M329-F333 HydrophobicContact CG-CD2 3.71Å; M329-F333 HydrophobicContact CG-CE2 3.85Å; M329-F333 WeakPolarHBondContact O-CD2 3Å; M329-F333 PolarHBondContact O-N 3.12Å; M329-I337 HydrophobicContact CE-CD1 4.16Å; M329-I337 HydrophobicContact CG-CD1 4.11Å; M329-Y340 HydrophobicContact CE-CD1 4.08Å; M329-Y340 HydrophobicContact CE-CE1 3.62Å; M329-L341 HydrophobicContact CE-CD2 4.2Å; M329-L416 HydrophobicContact CE-CB 4.35Å; M329-L416 HydrophobicContact CE-CD1 4.38Å; M329-L416 HydrophobicContact SD-CB 3.65Å; M329-V418 HydrophobicContact CB-CG2 3.98Å; M329-V418 HydrophobicContact CG-CG2 4.03Å; M329-D446 HydrophobicContact CE-CB 4.02Å; M329-D446 HydrophobicContact SD-CB 4.19Å
330	K	87.4	Confident	88.8	Confident	74 Å²	74	42.3 Å²	42.3	32%	0.322	22%	0.216	S	C	.	.	H	α-helix	trans	-57.7	-39.9	173.7	168.4	165.7	153.4	-87.2	0	112.7	T326 E327 K332 G334 L370	T326-K330 PolarHBondContact O-N 2.76Å; T326-K330 VanDerWaalsContact O-N 3.15Å; E327-K330 PolarHBondContact O-N 2.81Å; E327-K330 IonicContact OE1-NZ 3.25Å; E327-K330 PolarHBondContact OE1-NZ 3.25Å; E327-K330 IonicContact OE2-NZ 3.44Å; E327-K330 PolarHBondContact OE2-NZ 2.82Å; K330-K332 VanDerWaalsContact C-N 3.34Å; K330-K332 PolarHBondContact O-N 2.86Å; K330-G334 WeakPolarHBondContact O-CA 2.99Å; K330-G334 PolarHBondContact O-N 2.82Å; K330-L370 HydrophobicContact CB-CD1 3.99Å; K330-L370 HydrophobicContact CD-CD1 3.66Å; K330-L370 HydrophobicContact CD-CD2 3.5Å; K330-L370 VanDerWaalsContact CD-CD2 3.5Å; K330-L370 HydrophobicContact CD-CG 4.22Å; K330-L370 HydrophobicContact CG-CD1 4.49Å
331	Q	86.2	Confident	88.8	Confident	136 Å²	136	42.4 Å²	42.4	64%	0.636	22%	0.216	S	C	*	.	H	α-helix	trans	-64.3	-34.8	175.1	-74.7	171.2	10.5	0	0	113.2	E327 T328 M329	E327-Q331 HydrophobicContact CG-CG 4.48Å; E327-Q331 WeakPolarHBondContact O-CB 3.37Å; E327-Q331 VanDerWaalsContact O-CG 3.24Å; E327-Q331 WeakPolarHBondContact O-CG 3.35Å; E327-Q331 PolarHBondContact O-N 3.27Å; T328-Q331 PolarHBondContact O-N 2.74Å; M329-Q331 VanDerWaalsContact C-N 3.3Å; M329-Q331 PolarHBondContact O-N 3.18Å
332	K	85.7	Confident	88.6	Confident	108 Å²	108	43.5 Å²	43.5	47%	0.47	22%	0.222	S	C	.	.	H	α-helix	trans	-78.9	-36.8	179	-75	-67	-166.3	173.5	0	113.9	T328 M329 K330 V418 K605	T328-K332 WeakPolarHBondContact O-CG 3.15Å; T328-K332 PolarHBondContact O-N 2.91Å; T328-K332 VanDerWaalsContact O-N 3.14Å; M329-K332 PolarHBondContact O-N 2.75Å; M329-K332 VanDerWaalsContact O-N 3.09Å; K330-K332 VanDerWaalsContact C-N 3.34Å; K330-K332 PolarHBondContact O-N 2.86Å; K332-V418 HydrophobicContact CG-CG1 4.38Å; K332-K605 HydrophobicContact CD-CB 4.07Å; K332-K605 PolarHBondContact NZ-O 3.18Å
333	F	86.8	Confident	88.3	Confident	5 Å²	5	43.5 Å²	43.5	2%	0.022	22%	0.222	C	C	.	.	H	α-helix	trans	-87	-24.6	178.4	-75.4	-81.2	0	0	0	113.4	M329 L335 F336 I337 Y340 D446 F602 K605	M329-F333 HydrophobicContact CE-CD2 4.21Å; M329-F333 HydrophobicContact CE-CE2 3.78Å; M329-F333 HydrophobicContact CG-CD2 3.71Å; M329-F333 HydrophobicContact CG-CE2 3.85Å; M329-F333 WeakPolarHBondContact O-CD2 3Å; M329-F333 PolarHBondContact O-N 3.12Å; F333-L335 PolarHBondContact O-N 3.37Å; F333-F336 PolarHBondContact O-N 3.41Å; F333-I337 HydrophobicContact CB-CB 4Å; F333-I337 HydrophobicContact CB-CD1 3.94Å; F333-I337 HydrophobicContact CD2-CD1 3.99Å; F333-I337 HydrophobicContact CG-CD1 4.11Å; F333-Y340 HydrophobicContact CD1-CD1 4.01Å; F333-Y340 HydrophobicContact CD1-CD2 4.13Å; F333-Y340 HydrophobicContact CD1-CE1 4.47Å; F333-Y340 AromaticContact CD1-CG 3.81Å; F333-Y340 HydrophobicContact CD1-CG 3.81Å; F333-Y340 HydrophobicContact CD2-CD1 4.46Å; F333-Y340 AromaticContact CE1-CD1 3.64Å; F333-Y340 HydrophobicContact CE1-CD1 3.64Å; F333-Y340 AromaticContact CE1-CD2 3.47Å; F333-Y340 HydrophobicContact CE1-CD2 3.47Å; F333-Y340 VanDerWaalsContact CE1-CD2 3.47Å; F333-Y340 AromaticContact CE1-CE1 3.7Å; F333-Y340 HydrophobicContact CE1-CE1 3.7Å; F333-Y340 AromaticContact CE1-CE2 3.54Å; F333-Y340 HydrophobicContact CE1-CE2 3.54Å; F333-Y340 AromaticContact CE1-CG 3.51Å; F333-Y340 HydrophobicContact CE1-CG 3.51Å; F333-Y340 AromaticContact CE1-CZ 3.63Å; F333-Y340 HydrophobicContact CE2-CD1 4.13Å; F333-Y340 AromaticContact CE2-CE1 3.84Å; F333-Y340 HydrophobicContact CE2-CE1 3.84Å; F333-Y340 HydrophobicContact CG-CD1 4.41Å; F333-Y340 AromaticContact CZ-CD1 3.71Å; F333-Y340 HydrophobicContact CZ-CD1 3.71Å; F333-Y340 HydrophobicContact CZ-CD2 4.09Å; F333-Y340 AromaticContact CZ-CE1 3.33Å; F333-Y340 HydrophobicContact CZ-CE1 3.33Å; F333-Y340 AromaticContact CZ-CE2 3.75Å; F333-Y340 HydrophobicContact CZ-CE2 3.75Å; F333-Y340 HydrophobicContact CZ-CG 4.06Å; F333-Y340 AromaticContact CZ-CZ 3.34Å; F333-D446 WeakPolarHBondContact CE2-OD2 3.18Å; F333-D446 VanDerWaalsContact CZ-OD2 3.23Å; F333-D446 WeakPolarHBondContact CZ-OD2 3.28Å; F333-F602 AromaticContact CD1-CD1 3.7Å; F333-F602 HydrophobicContact CD1-CD1 3.7Å; F333-F602 HydrophobicContact CD1-CD2 4.13Å; F333-F602 AromaticContact CD1-CE1 3.58Å; F333-F602 HydrophobicContact CD1-CE1 3.58Å; F333-F602 HydrophobicContact CD1-CE2 4.04Å; F333-F602 AromaticContact CD1-CG 3.98Å; F333-F602 HydrophobicContact CD1-CG 3.98Å; F333-F602 AromaticContact CD1-CZ 3.78Å; F333-F602 HydrophobicContact CD1-CZ 3.78Å; F333-F602 HydrophobicContact CE1-CB 3.89Å; F333-F602 AromaticContact CE1-CD1 3.66Å; F333-F602 HydrophobicContact CE1-CD1 3.66Å; F333-F602 AromaticContact CE1-CD2 3.73Å; F333-F602 HydrophobicContact CE1-CD2 3.73Å; F333-F602 HydrophobicContact CE1-CE1 4.02Å; F333-F602 HydrophobicContact CE1-CE2 4.09Å; F333-F602 AromaticContact CE1-CG 3.5Å; F333-F602 HydrophobicContact CE1-CG 3.5Å; F333-F602 HydrophobicContact CE1-CZ 4.23Å; F333-F602 HydrophobicContact CZ-CB 4.49Å; F333-K605 VanDerWaalsContact CZ-NZ 3.35Å
334	G	86	Confident	88.2	Confident	38 Å²	38	43.6 Å²	43.6	39%	0.392	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	62.2	-127.7	-179.9	0	0	0	0	0	111.7	K330 F336 I337	K330-G334 WeakPolarHBondContact O-CA 2.99Å; K330-G334 PolarHBondContact O-N 2.82Å; G334-F336 VanDerWaalsContact C-N 3.28Å; G334-F336 PolarHBondContact O-N 3.12Å; G334-I337 WeakPolarHBondContact O-CG2 3.17Å
335	L	86.9	Confident	88.1	Confident	164 Å²	164	43.6 Å²	43.6	86%	0.859	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-68.2	-25.7	-180	-61.9	176.3	0	0	0	113.3	F333 I337	F333-L335 PolarHBondContact O-N 3.37Å; L335-I337 PolarHBondContact O-N 3.43Å
336	F	88.3	Confident	88	Confident	80 Å²	80	43.6 Å²	43.6	35%	0.351	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-79.2	2.6	-174.3	-60.4	-70.6	0	0	0	114.3	F333 G334 D338 E339 Y340 F594 F602	F333-F336 PolarHBondContact O-N 3.41Å; G334-F336 VanDerWaalsContact C-N 3.28Å; G334-F336 PolarHBondContact O-N 3.12Å; F336-D338 PolarHBondContact O-N 3.44Å; F336-E339 WeakPolarHBondContact CD1-OE2 3.01Å; F336-E339 PolarHBondContact O-N 3.37Å; F336-Y340 WeakPolarHBondContact O-CB 3.36Å; F336-Y340 PolarHBondContact O-N 2.84Å; F336-F594 HydrophobicContact CB-CE1 4.1Å; F336-F594 AromaticContact CD1-CE1 3.91Å; F336-F594 HydrophobicContact CD1-CE1 3.91Å; F336-F594 HydrophobicContact CG-CE1 4.21Å; F336-F602 HydrophobicContact CB-CE2 4.49Å; F336-F602 HydrophobicContact CB-CZ 3.74Å; F336-F602 HydrophobicContact CD2-CZ 4.08Å; F336-F602 HydrophobicContact CG-CZ 4.07Å
337	I	89.7	Confident	88	Confident	19 Å²	19	45 Å²	45	10%	0.097	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-41.4	-171.7	-174.8	60.9	0	0	0	112.8	V325 M329 F333 G334 L335 L341	V325-I337 HydrophobicContact CG1-CD1 4.3Å; M329-I337 HydrophobicContact CE-CD1 4.16Å; M329-I337 HydrophobicContact CG-CD1 4.11Å; F333-I337 HydrophobicContact CB-CB 4Å; F333-I337 HydrophobicContact CB-CD1 3.94Å; F333-I337 HydrophobicContact CD2-CD1 3.99Å; F333-I337 HydrophobicContact CG-CD1 4.11Å; G334-I337 WeakPolarHBondContact O-CG2 3.17Å; L335-I337 PolarHBondContact O-N 3.43Å; I337-L341 HydrophobicContact CD1-CD1 3.96Å; I337-L341 HydrophobicContact CD1-CG 4.09Å; I337-L341 HydrophobicContact CG1-CD1 3.83Å; I337-L341 HydrophobicContact CG1-CG 4.39Å; I337-L341 WeakPolarHBondContact O-CB 3.13Å; I337-L341 WeakPolarHBondContact O-CD1 3.21Å; I337-L341 WeakPolarHBondContact O-CG 3.29Å; I337-L341 PolarHBondContact O-N 2.91Å
338	D	86.9	Confident	88.4	Confident	95 Å²	95	43.5 Å²	43.5	51%	0.508	22%	0.224	S	C	.	.	H	α-helix	trans	-71.1	-41.7	-177.3	-66.9	-21	0	0	0	111.9	F336 L341 L342 Y576	F336-D338 PolarHBondContact O-N 3.44Å; D338-L341 PolarHBondContact O-N 2.85Å; D338-L342 VanDerWaalsContact O-CB 3.26Å; D338-L342 WeakPolarHBondContact O-CB 3.38Å; D338-L342 PolarHBondContact O-N 2.82Å; D338-Y576 PolarHBondContact O-OH 2.71Å
339	E	87.3	Confident	88.6	Confident	85 Å²	85	41.2 Å²	41.2	40%	0.397	21%	0.21	S	C	.	.	H	α-helix	trans	-68.6	-37.6	178	-63.6	152	154.1	0	0	111	F336 S343 F594	F336-E339 WeakPolarHBondContact CD1-OE2 3.01Å; F336-E339 PolarHBondContact O-N 3.37Å; E339-S343 VanDerWaalsContact O-CB 3.29Å; E339-S343 WeakPolarHBondContact O-CB 3.31Å; E339-S343 PolarHBondContact O-N 2.94Å; E339-S343 PolarHBondContact O-OG 3.24Å; E339-F594 HydrophobicContact CB-CZ 3.93Å
340	Y	90.7	Very high	88.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-48.6	172.6	177.2	-99.2	0	0	0	111.8	M329 F333 F336 L342 S343 T344 D446 G448 F449 F602	M329-Y340 HydrophobicContact CE-CD1 4.08Å; M329-Y340 HydrophobicContact CE-CE1 3.62Å; F333-Y340 HydrophobicContact CD1-CD1 4.01Å; F333-Y340 HydrophobicContact CD1-CD2 4.13Å; F333-Y340 HydrophobicContact CD1-CE1 4.47Å; F333-Y340 AromaticContact CD1-CG 3.81Å; F333-Y340 HydrophobicContact CD1-CG 3.81Å; F333-Y340 HydrophobicContact CD2-CD1 4.46Å; F333-Y340 AromaticContact CE1-CD1 3.64Å; F333-Y340 HydrophobicContact CE1-CD1 3.64Å; F333-Y340 AromaticContact CE1-CD2 3.47Å; F333-Y340 HydrophobicContact CE1-CD2 3.47Å; F333-Y340 VanDerWaalsContact CE1-CD2 3.47Å; F333-Y340 AromaticContact CE1-CE1 3.7Å; F333-Y340 HydrophobicContact CE1-CE1 3.7Å; F333-Y340 AromaticContact CE1-CE2 3.54Å; F333-Y340 HydrophobicContact CE1-CE2 3.54Å; F333-Y340 AromaticContact CE1-CG 3.51Å; F333-Y340 HydrophobicContact CE1-CG 3.51Å; F333-Y340 AromaticContact CE1-CZ 3.63Å; F333-Y340 HydrophobicContact CE2-CD1 4.13Å; F333-Y340 AromaticContact CE2-CE1 3.84Å; F333-Y340 HydrophobicContact CE2-CE1 3.84Å; F333-Y340 HydrophobicContact CG-CD1 4.41Å; F333-Y340 AromaticContact CZ-CD1 3.71Å; F333-Y340 HydrophobicContact CZ-CD1 3.71Å; F333-Y340 HydrophobicContact CZ-CD2 4.09Å; F333-Y340 AromaticContact CZ-CE1 3.33Å; F333-Y340 HydrophobicContact CZ-CE1 3.33Å; F333-Y340 AromaticContact CZ-CE2 3.75Å; F333-Y340 HydrophobicContact CZ-CE2 3.75Å; F333-Y340 HydrophobicContact CZ-CG 4.06Å; F333-Y340 AromaticContact CZ-CZ 3.34Å; F336-Y340 WeakPolarHBondContact O-CB 3.36Å; F336-Y340 PolarHBondContact O-N 2.84Å; Y340-L342 PolarHBondContact O-N 2.04Å; Y340-S343 WeakPolarHBondContact O-CB 3.24Å; Y340-S343 PolarHBondContact O-N 3.03Å; Y340-T344 WeakPolarHBondContact O-CB 3.42Å; Y340-T344 PolarHBondContact O-N 3.43Å; Y340-T344 PolarHBondContact O-OG1 2.73Å; Y340-T344 VanDerWaalsContact O-OG1 3.06Å; Y340-D446 WeakPolarHBondContact CE1-OD1 3.12Å; Y340-D446 PolarHBondContact OH-OD1 2.81Å; Y340-D446 PolarHBondContact OH-OD2 2.98Å; Y340-G448 WeakPolarHBondContact OH-CA 3.38Å; Y340-G448 PolarHBondContact OH-N 2.83Å; Y340-G448 PolarHBondContact OH-O 3.31Å; Y340-F449 AromaticContact CD2-CE1 3.85Å; Y340-F449 HydrophobicContact CD2-CE1 3.85Å; Y340-F449 AromaticContact CD2-CZ 3.77Å; Y340-F449 HydrophobicContact CD2-CZ 3.77Å; Y340-F449 HydrophobicContact CE2-CD1 4.37Å; Y340-F449 HydrophobicContact CE2-CE1 4.01Å; Y340-F449 HydrophobicContact CE2-CE2 4.4Å; Y340-F449 AromaticContact CE2-CZ 4Å; Y340-F449 HydrophobicContact CE2-CZ 4Å; Y340-F602 HydrophobicContact CD2-CD2 4.11Å; Y340-F602 HydrophobicContact CD2-CE2 4.32Å; Y340-F602 HydrophobicContact CE2-CD2 4.46Å
341	L	91.7	Very high	88.4	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-40.8	177.5	-71.9	167.4	0	0	0	112.1	V325 M329 I337 D338 T344 M345 I368 L416	V325-L341 HydrophobicContact CG2-CD1 3.88Å; V325-L341 HydrophobicContact CG2-CD2 4.14Å; M329-L341 HydrophobicContact CE-CD2 4.2Å; I337-L341 HydrophobicContact CD1-CD1 3.96Å; I337-L341 HydrophobicContact CD1-CG 4.09Å; I337-L341 HydrophobicContact CG1-CD1 3.83Å; I337-L341 HydrophobicContact CG1-CG 4.39Å; I337-L341 WeakPolarHBondContact O-CB 3.13Å; I337-L341 WeakPolarHBondContact O-CD1 3.21Å; I337-L341 WeakPolarHBondContact O-CG 3.29Å; I337-L341 PolarHBondContact O-N 2.91Å; D338-L341 PolarHBondContact O-N 2.85Å; L341-T344 PolarHBondContact O-N 3.39Å; L341-M345 WeakPolarHBondContact O-CB 3.44Å; L341-M345 VanDerWaalsContact O-CG 3.25Å; L341-M345 WeakPolarHBondContact O-CG 3.03Å; L341-M345 PolarHBondContact O-N 2.97Å; L341-I368 HydrophobicContact CD1-CD1 4.43Å; L341-I368 HydrophobicContact CD1-CG2 4.01Å; L341-L416 HydrophobicContact CD2-CD1 3.58Å
342	L	90.1	Very high	88.5	Confident	24 Å²	24	34 Å²	34	13%	0.126	18%	0.18	C	C	.	.	H	α-helix	trans	-61.6	-43.3	174.2	-179.1	50.3	0	0	0	111.6	D338 Y340 T346 Y576 L581 H584	D338-L342 VanDerWaalsContact O-CB 3.26Å; D338-L342 WeakPolarHBondContact O-CB 3.38Å; D338-L342 PolarHBondContact O-N 2.82Å; Y340-L342 PolarHBondContact O-N 2.04Å; L342-T346 VanDerWaalsContact O-CB 3.3Å; L342-T346 WeakPolarHBondContact O-CB 3.32Å; L342-T346 PolarHBondContact O-N 3.47Å; L342-T346 PolarHBondContact O-OG1 2.95Å; L342-Y576 HydrophobicContact CB-CE1 4.41Å; L342-Y576 HydrophobicContact CB-CE2 3.98Å; L342-Y576 HydrophobicContact CD1-CD1 3.84Å; L342-Y576 HydrophobicContact CD1-CD2 3.95Å; L342-Y576 HydrophobicContact CD1-CE1 3.83Å; L342-Y576 HydrophobicContact CD1-CE2 3.92Å; L342-Y576 HydrophobicContact CD1-CG 3.93Å; L342-Y576 HydrophobicContact CD2-CE1 4.29Å; L342-Y576 HydrophobicContact CG-CE1 4.4Å; L342-L581 HydrophobicContact CD1-CD2 3.68Å; L342-H584 HydrophobicContact CD1-CB 4.36Å; L342-H584 WeakPolarHBondContact CD2-CD2 3.38Å; L342-H584 HydrophobicContact CG-CB 4.34Å; L342-H584 VanDerWaalsContact CG-CD2 3.46Å; L342-H584 WeakPolarHBondContact CG-CD2 3.5Å
343	S	88.8	Confident	88.2	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.8	-47.5	174	-61.5	0	0	0	0	111.9	E339 Y340 T346 T347 P590	E339-S343 VanDerWaalsContact O-CB 3.29Å; E339-S343 WeakPolarHBondContact O-CB 3.31Å; E339-S343 PolarHBondContact O-N 2.94Å; E339-S343 PolarHBondContact O-OG 3.24Å; Y340-S343 WeakPolarHBondContact O-CB 3.24Å; Y340-S343 PolarHBondContact O-N 3.03Å; S343-T346 WeakPolarHBondContact O-CB 3.25Å; S343-T346 PolarHBondContact O-N 2.82Å; S343-T347 PolarHBondContact O-N 2.98Å; S343-T347 VanDerWaalsContact O-N 3.11Å; S343-T347 PolarHBondContact O-OG1 2.68Å; S343-P590 VanDerWaalsContact CB-CG 3.49Å; S343-P590 WeakPolarHBondContact OG-CB 3.38Å; S343-P590 WeakPolarHBondContact OG-CG 3.29Å
344	T	91.2	Very high	87.8	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-47.1	179.2	-63.4	0	0	0	0	111.8	Y340 L341 T346 T347 V348 T451 I455	Y340-T344 WeakPolarHBondContact O-CB 3.42Å; Y340-T344 PolarHBondContact O-N 3.43Å; Y340-T344 PolarHBondContact O-OG1 2.73Å; Y340-T344 VanDerWaalsContact O-OG1 3.06Å; L341-T344 PolarHBondContact O-N 3.39Å; T344-T346 VanDerWaalsContact C-N 3.28Å; T344-T346 PolarHBondContact O-N 2.77Å; T344-T347 WeakPolarHBondContact O-CB 3.38Å; T344-T347 PolarHBondContact O-N 2.82Å; T344-V348 WeakPolarHBondContact O-CG2 3.37Å; T344-V348 PolarHBondContact O-N 3.03Å; T344-V348 VanDerWaalsContact O-N 3.11Å; T344-T451 HydrophobicContact CG2-CG2 3.83Å; T344-I455 HydrophobicContact CG2-CD1 3.85Å
345	M	92.6	Very high	87	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-69.1	-26.8	178.5	-64.4	-65.3	156	0	0	112.4	L321 V323 L341 V348 S349 V365 I414 L416 I455 L581	L321-M345 HydrophobicContact CD2-SD 4Å; V323-M345 HydrophobicContact CG1-CE 4.06Å; V323-M345 HydrophobicContact CG2-CE 3.57Å; V323-M345 HydrophobicContact CG2-SD 4.09Å; L341-M345 WeakPolarHBondContact O-CB 3.44Å; L341-M345 VanDerWaalsContact O-CG 3.25Å; L341-M345 WeakPolarHBondContact O-CG 3.03Å; L341-M345 PolarHBondContact O-N 2.97Å; M345-V348 PolarHBondContact O-N 3.48Å; M345-S349 VanDerWaalsContact O-CB 3.32Å; M345-S349 WeakPolarHBondContact O-CB 3.23Å; M345-S349 PolarHBondContact O-N 3.2Å; M345-V365 HydrophobicContact CB-CG2 4.14Å; M345-V365 HydrophobicContact CG-CG2 3.93Å; M345-V365 HydrophobicContact SD-CG2 4.1Å; M345-I414 HydrophobicContact CE-CG2 4.45Å; M345-L416 HydrophobicContact CE-CD1 4.33Å; M345-I455 HydrophobicContact CE-CD1 3.76Å; M345-L581 HydrophobicContact CB-CD2 4.01Å
346	T	88.6	Confident	86.4	Confident	4 Å²	4	25.2 Å²	25.2	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-62.8	-46.8	169.5	-62.8	0	0	0	0	110.8	L342 S343 T344 V348 S349 T350 L581	L342-T346 VanDerWaalsContact O-CB 3.3Å; L342-T346 WeakPolarHBondContact O-CB 3.32Å; L342-T346 PolarHBondContact O-N 3.47Å; L342-T346 PolarHBondContact O-OG1 2.95Å; S343-T346 WeakPolarHBondContact O-CB 3.25Å; S343-T346 PolarHBondContact O-N 2.82Å; T344-T346 VanDerWaalsContact C-N 3.28Å; T344-T346 PolarHBondContact O-N 2.77Å; T346-V348 PolarHBondContact O-N 2.84Å; T346-S349 CarbonylContact O-C 3.42Å; T346-S349 WeakPolarHBondContact O-CA 3.18Å; T346-S349 WeakPolarHBondContact O-CB 3.28Å; T346-S349 PolarHBondContact O-N 3.18Å; T346-S349 VanDerWaalsContact O-N 3.1Å; T346-T350 PolarHBondContact O-N 3.06Å; T346-L581 WeakPolarHBondContact CG2-O 3.47Å
347	T	87.7	Confident	85.7	Confident	31 Å²	31	21.6 Å²	21.6	19%	0.19	11%	0.114	C	C	.	.	H	α-helix	trans	-58.9	-43.6	173.9	-55.6	0	0	0	0	112.2	S343 T344 S349 T350 L351	S343-T347 PolarHBondContact O-N 2.98Å; S343-T347 VanDerWaalsContact O-N 3.11Å; S343-T347 PolarHBondContact O-OG1 2.68Å; T344-T347 WeakPolarHBondContact O-CB 3.38Å; T344-T347 PolarHBondContact O-N 2.82Å; T347-S349 VanDerWaalsContact C-N 3.28Å; T347-S349 PolarHBondContact O-N 3.11Å; T347-T350 PolarHBondContact O-N 2.86Å; T347-T350 PolarHBondContact O-OG1 3.5Å; T347-L351 HydrophobicContact CG2-CD1 3.95Å; T347-L351 HydrophobicContact CG2-CG 4.4Å; T347-L351 VanDerWaalsContact O-CG 3.25Å; T347-L351 WeakPolarHBondContact O-CG 3.26Å; T347-L351 PolarHBondContact O-N 3.23Å
348	V	91.6	Very high	84.7	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.5	-41.7	174.9	-173.5	0	0	0	0	110.9	T344 M345 T346 T350 L351 L352 L363 G452 I455 L459	T344-V348 WeakPolarHBondContact O-CG2 3.37Å; T344-V348 PolarHBondContact O-N 3.03Å; T344-V348 VanDerWaalsContact O-N 3.11Å; M345-V348 PolarHBondContact O-N 3.48Å; T346-V348 PolarHBondContact O-N 2.84Å; V348-T350 PolarHBondContact O-N 2.04Å; V348-L351 PolarHBondContact O-N 2.87Å; V348-L352 HydrophobicContact CG1-CD1 3.9Å; V348-L352 HydrophobicContact CG1-CG 4.35Å; V348-L352 WeakPolarHBondContact O-CB 3.35Å; V348-L352 WeakPolarHBondContact O-CG 3.45Å; V348-L352 PolarHBondContact O-N 3.41Å; V348-L363 HydrophobicContact CB-CD2 3.81Å; V348-L363 HydrophobicContact CG1-CD2 3.75Å; V348-G452 WeakPolarHBondContact CG2-O 3.09Å; V348-I455 HydrophobicContact CB-CG2 4.49Å; V348-I455 HydrophobicContact CG1-CG2 3.96Å; V348-I455 HydrophobicContact CG2-CB 3.66Å; V348-I455 HydrophobicContact CG2-CD1 4.15Å; V348-I455 HydrophobicContact CG2-CG1 4.49Å; V348-I455 HydrophobicContact CG2-CG2 3.64Å; V348-L459 HydrophobicContact CG1-CD1 3.76Å
349	S	88.7	Confident	83.7	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.7	-29.5	179.9	-165.5	0	0	0	0	113.7	M345 T346 T347 R353	M345-S349 VanDerWaalsContact O-CB 3.32Å; M345-S349 WeakPolarHBondContact O-CB 3.23Å; M345-S349 PolarHBondContact O-N 3.2Å; T346-S349 CarbonylContact O-C 3.42Å; T346-S349 WeakPolarHBondContact O-CA 3.18Å; T346-S349 WeakPolarHBondContact O-CB 3.28Å; T346-S349 PolarHBondContact O-N 3.18Å; T346-S349 VanDerWaalsContact O-N 3.1Å; T347-S349 VanDerWaalsContact C-N 3.28Å; T347-S349 PolarHBondContact O-N 3.11Å; S349-R353 WeakPolarHBondContact O-CG 3.23Å; S349-R353 PolarHBondContact O-NE 3.39Å; S349-R353 PolarHBondContact OG-NH2 3.39Å
350	T	84	Confident	82.7	Confident	43 Å²	43	16 Å²	16	26%	0.264	9%	0.087	S	C	.	.	H	α-helix	trans	-79.8	-38.3	172.9	57.3	0	0	0	0	111.7	T346 T347 V348 R353 H354	T346-T350 PolarHBondContact O-N 3.06Å; T347-T350 PolarHBondContact O-N 2.86Å; T347-T350 PolarHBondContact O-OG1 3.5Å; V348-T350 PolarHBondContact O-N 2.04Å; T350-R353 CarbonylContact O-C 3.42Å; T350-R353 PolarHBondContact O-N 2.93Å; T350-H354 PolarHBondContact O-N 3.38Å
351	L	87.9	Confident	82.2	Confident	13 Å²	13	16 Å²	16	7%	0.068	9%	0.087	C	C	.	.	H	α-helix	trans	-64.7	-41.3	176	-66.4	170.9	0	0	0	112.3	T347 V348 R353 H354 H453 A456 I532 W546	T347-L351 HydrophobicContact CG2-CD1 3.95Å; T347-L351 HydrophobicContact CG2-CG 4.4Å; T347-L351 VanDerWaalsContact O-CG 3.25Å; T347-L351 WeakPolarHBondContact O-CG 3.26Å; T347-L351 PolarHBondContact O-N 3.23Å; V348-L351 PolarHBondContact O-N 2.87Å; L351-R353 PolarHBondContact O-N 2.92Å; L351-H354 VanDerWaalsContact O-CB 3.26Å; L351-H354 WeakPolarHBondContact O-CB 3.36Å; L351-H354 PolarHBondContact O-N 3.46Å; L351-H354 VanDerWaalsContact O-N 3.15Å; L351-H453 HydrophobicContact CD1-CB 4.49Å; L351-A456 HydrophobicContact CB-CB 4.01Å; L351-A456 HydrophobicContact CD1-CB 3.67Å; L351-I532 HydrophobicContact CB-CD1 4.45Å; L351-I532 HydrophobicContact CD2-CD1 3.89Å; L351-W546 PolarHBondContact O-NE1 2.93Å
352	L	87.9	Confident	81.9	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.1	174.9	-73.1	173.8	0	0	0	114.2	V348 L357 I361 L363 L459 L463 W546	V348-L352 HydrophobicContact CG1-CD1 3.9Å; V348-L352 HydrophobicContact CG1-CG 4.35Å; V348-L352 WeakPolarHBondContact O-CB 3.35Å; V348-L352 WeakPolarHBondContact O-CG 3.45Å; V348-L352 PolarHBondContact O-N 3.41Å; L352-L357 VanDerWaalsContact O-CD1 3.27Å; L352-L357 WeakPolarHBondContact O-CD1 3.36Å; L352-I361 CarbonylContact C-O 3.56Å; L352-I361 HydrophobicContact CB-CB 4.25Å; L352-I361 HydrophobicContact CD2-CG2 4.47Å; L352-I361 PolarHBondContact O-N 3.39Å; L352-L363 HydrophobicContact CD1-CB 4.22Å; L352-L363 HydrophobicContact CD1-CD1 4.35Å; L352-L459 HydrophobicContact CD1-CD1 4.12Å; L352-L463 HydrophobicContact CD2-CD1 4.21Å; L352-W546 HydrophobicContact CD2-CZ2 4.18Å
353	R	79	Confident	81.9	Confident	40 Å²	40	17.6 Å²	17.6	15%	0.151	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	6	172.4	-70.4	-176.5	-79.7	168.4	-12.9	113.1	S349 T350 L351 I361	S349-R353 WeakPolarHBondContact O-CG 3.23Å; S349-R353 PolarHBondContact O-NE 3.39Å; S349-R353 PolarHBondContact OG-NH2 3.39Å; T350-R353 CarbonylContact O-C 3.42Å; T350-R353 PolarHBondContact O-N 2.93Å; L351-R353 PolarHBondContact O-N 2.92Å; R353-I361 WeakPolarHBondContact CG-O 3.23Å
354	H	78.8	Confident	82	Confident	44 Å²	44	18.2 Å²	18.2	20%	0.204	10%	0.097	C	C	.	.			trans	-67	133.6	-173.9	-169.1	-101.8	0	0	0	111.3	T350 L351 S356 L357	T350-H354 PolarHBondContact O-N 3.38Å; L351-H354 VanDerWaalsContact O-CB 3.26Å; L351-H354 WeakPolarHBondContact O-CB 3.36Å; L351-H354 PolarHBondContact O-N 3.46Å; L351-H354 VanDerWaalsContact O-N 3.15Å; H354-S356 PolarHBondContact ND1-OG 2.87Å; H354-S356 PolarHBondContact O-N 2.85Å; H354-L357 PolarHBondContact O-N 2.93Å
355	P	68.2	Low	82	Confident	38 Å²	38	18.2 Å²	18.2	25%	0.247	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-54.7	-27	-171.9	-29.3	36.1	0	0	0	114.9	L357 K358 P699	P355-L357 PolarHBondContact O-N 2.73Å; P355-L357 VanDerWaalsContact O-N 3.16Å; P355-K358 WeakPolarHBondContact O-CA 3.01Å; P355-K358 PolarHBondContact O-N 2.93Å; P355-P699 HydrophobicContact CB-CG 4.17Å; P355-P699 HydrophobicContact CG-CG 4.18Å; P355-P699 WeakPolarHBondContact CG-O 3.05Å
356	S	75.6	Confident	81.9	Confident	9 Å²	9	18.3 Å²	18.3	6%	0.063	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-63.3	-15.3	176.4	67.8	0	0	0	0	114.8	H354 K358 W546 R551	H354-S356 PolarHBondContact ND1-OG 2.87Å; H354-S356 PolarHBondContact O-N 2.85Å; S356-K358 VanDerWaalsContact C-N 3.25Å; S356-W546 WeakPolarHBondContact CB-O 3.46Å; S356-W546 WeakPolarHBondContact OG-CB 3.1Å; S356-W546 PolarHBondContact OG-N 2.81Å; S356-R551 VanDerWaalsContact O-CZ 3.26Å; S356-R551 PolarHBondContact O-NE 3.46Å; S356-R551 PolarHBondContact O-NH2 2.77Å
357	L	73.8	Confident	82.1	Confident	5 Å²	5	20.5 Å²	20.5	3%	0.026	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-73.2	-16.4	167.8	-81.4	168.5	0	0	0	112.9	L352 H354 P355 N359 W546 I554	L352-L357 VanDerWaalsContact O-CD1 3.27Å; L352-L357 WeakPolarHBondContact O-CD1 3.36Å; H354-L357 PolarHBondContact O-N 2.93Å; P355-L357 PolarHBondContact O-N 2.73Å; P355-L357 VanDerWaalsContact O-N 3.16Å; L357-N359 PolarHBondContact O-N 3.15Å; L357-W546 HydrophobicContact CD1-CD2 4.37Å; L357-W546 HydrophobicContact CD1-CG 4.34Å; L357-W546 HydrophobicContact CD1-CZ2 4.42Å; L357-W546 HydrophobicContact CD2-CB 4.1Å; L357-W546 HydrophobicContact CD2-CD2 3.67Å; L357-W546 HydrophobicContact CD2-CE3 4.11Å; L357-W546 HydrophobicContact CD2-CG 3.68Å; L357-W546 HydrophobicContact CG-CB 4.19Å; L357-W546 VanDerWaalsContact CG-CD1 3.48Å; L357-W546 HydrophobicContact CG-CD2 3.99Å; L357-W546 HydrophobicContact CG-CG 3.63Å; L357-I554 HydrophobicContact CD2-CD1 3.87Å; L357-I554 HydrophobicContact CD2-CG2 4.43Å
358	K	68.5	Low	82.2	Confident	28 Å²	28	20.4 Å²	20.4	12%	0.122	11%	0.107	C	C	.	.	S	Bend	trans	47.2	29.7	-173	-71.8	-169.2	168.2	-175.4	0	113.5	P355 S356 H483 E693 F705 R710	P355-K358 WeakPolarHBondContact O-CA 3.01Å; P355-K358 PolarHBondContact O-N 2.93Å; S356-K358 VanDerWaalsContact C-N 3.25Å; K358-H483 WeakPolarHBondContact CE-CE1 3.27Å; K358-E693 IonicContact NZ-OE1 3.95Å; K358-E693 PolarHBondContact NZ-OE1 3.31Å; K358-E693 IonicContact NZ-OE2 3.6Å; K358-E693 PolarHBondContact NZ-OE2 2.99Å; K358-F705 HydrophobicContact CB-CZ 4.32Å; K358-F705 WeakPolarHBondContact O-CE1 3.48Å; K358-F705 VanDerWaalsContact O-CZ 3.28Å; K358-F705 WeakPolarHBondContact O-CZ 3.47Å; K358-R710 PolarHBondContact O-NH1 3.14Å; K358-R710 VanDerWaalsContact O-NH1 3.16Å; K358-R710 PolarHBondContact O-NH2 3.4Å
359	N	65.7	Low	82.2	Confident	33 Å²	33	22 Å²	22	18%	0.176	12%	0.115	C	C	.	.	S	Bend	trans	-160.1	164.2	-175.8	-166.7	-0.1	0	0	0	107.8	L357 I558	L357-N359 PolarHBondContact O-N 3.15Å; N359-I558 WeakPolarHBondContact ND2-CD1 3.08Å
360	S	64.9	Low	82.2	Confident	21 Å²	21	25.8 Å²	25.8	15%	0.147	14%	0.135	C	C	.	.			trans	-121	116	178.3	170.5	0	0	0	0	111
361	I	81.9	Confident	82.1	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.6	171.9	-53.3	176.2	0	0	0	108.3	H317 V319 L352 R353 L463 I554 I558	H317-I361 CarbonylContact O-C 3.53Å; H317-I361 VanDerWaalsContact O-CA 3.31Å; H317-I361 WeakPolarHBondContact O-CA 3.16Å; V319-I361 HydrophobicContact CG2-CG2 3.68Å; L352-I361 CarbonylContact C-O 3.56Å; L352-I361 HydrophobicContact CB-CB 4.25Å; L352-I361 HydrophobicContact CD2-CG2 4.47Å; L352-I361 PolarHBondContact O-N 3.39Å; R353-I361 WeakPolarHBondContact CG-O 3.23Å; I361-L463 HydrophobicContact CD1-CD1 3.72Å; I361-I554 HydrophobicContact CD1-CG2 4.08Å; I361-I558 HydrophobicContact CD1-CD1 3.82Å; I361-I558 HydrophobicContact CG1-CD1 4.15Å
362	Q	84.7	Confident	81.6	Confident	58 Å²	58	27.3 Å²	27.3	27%	0.271	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	149.2	175.2	-65.8	-174.6	-7.8	0	0	110.3	P316 H317 T318 V319 A578	P316-Q362 HydrophobicContact CB-CG 4.27Å; H317-Q362 PolarHBondContact O-N 2.76Å; T318-Q362 CarbonylContact C-O 3.57Å; T318-Q362 WeakPolarHBondContact CA-O 3.36Å; T318-Q362 HydrophobicContact CG2-CB 4.4Å; V319-Q362 PolarHBondContact N-O 2.99Å; Q362-A578 HydrophobicContact CB-CB 4.14Å
363	L	89.5	Confident	80.9	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.6	176.9	-179.5	68.8	0	0	0	109.7	V319 L321 V348 L352 A578 L581	V319-L363 HydrophobicContact CB-CD1 4.27Å; V319-L363 HydrophobicContact CG1-CD1 4.23Å; L321-L363 HydrophobicContact CB-CD1 3.87Å; L321-L363 HydrophobicContact CD2-CD1 4.02Å; V348-L363 HydrophobicContact CB-CD2 3.81Å; V348-L363 HydrophobicContact CG1-CD2 3.75Å; L352-L363 HydrophobicContact CD1-CB 4.22Å; L352-L363 HydrophobicContact CD1-CD1 4.35Å; L363-A578 WeakPolarHBondContact O-CA 3.19Å; L363-A578 WeakPolarHBondContact O-CB 3.36Å; L363-A578 PolarHBondContact O-N 2.87Å; L363-L581 HydrophobicContact CB-CD1 4.42Å; L363-L581 HydrophobicContact CD2-CD1 4.12Å; L363-L581 HydrophobicContact CG-CD1 4.28Å
364	N	91	Very high	80.7	Confident	14 Å²	14	31 Å²	31	8%	0.075	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.4	168.9	-77.2	-18.8	0	0	0	108.7	T318 V319 E320 L321 V366 L569 T574 Y576 S577 A578	T318-N364 HydrophobicContact CG2-CB 4.36Å; T318-N364 WeakPolarHBondContact CG2-ND2 3.34Å; V319-N364 PolarHBondContact O-N 2.84Å; E320-N364 WeakPolarHBondContact CA-O 3.4Å; L321-N364 PolarHBondContact N-O 3.18Å; N364-V366 PolarHBondContact O-N 3.05Å; N364-L569 VanDerWaalsContact ND2-CD2 3.3Å; N364-L569 WeakPolarHBondContact ND2-CD2 3.43Å; N364-T574 HydrophobicContact CB-CG2 3.91Å; N364-Y576 CarbonylContact C-O 3.5Å; N364-Y576 WeakPolarHBondContact CA-O 3.48Å; N364-S577 WeakPolarHBondContact OD1-CA 3.47Å; N364-A578 PolarHBondContact OD1-N 2.86Å
365	V	92	Very high	80.3	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	117.2	168.4	178.2	0	0	0	0	107.9	L321 V323 M345 I368 T574 F575 Y576	L321-V365 CarbonylContact O-C 3.55Å; L321-V365 WeakPolarHBondContact O-CA 3.4Å; V323-V365 HydrophobicContact CB-CG1 4.48Å; V323-V365 HydrophobicContact CG2-CG1 3.76Å; V323-V365 HydrophobicContact CG2-CG2 4.37Å; M345-V365 HydrophobicContact CB-CG2 4.14Å; M345-V365 HydrophobicContact CG-CG2 3.93Å; M345-V365 HydrophobicContact SD-CG2 4.1Å; V365-I368 HydrophobicContact CG1-CG1 4.04Å; V365-T574 CarbonylContact O-C 3.47Å; V365-F575 HydrophobicContact CG1-CB 4.49Å; V365-F575 PolarHBondContact O-N 3.48Å; V365-Y576 HydrophobicContact CB-CD2 4.11Å; V365-Y576 HydrophobicContact CB-CG 4.4Å; V365-Y576 HydrophobicContact CG1-CD2 4.4Å; V365-Y576 HydrophobicContact CG2-CD2 4.07Å; V365-Y576 PolarHBondContact N-O 3.12Å; V365-Y576 PolarHBondContact O-N 2.89Å; V365-Y576 VanDerWaalsContact O-N 3.15Å
366	V	90.4	Very high	80.4	Confident	3 Å²	3	30.8 Å²	30.8	2%	0.018	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-51.5	-179.2	174.5	0	0	0	0	110.2	E320 L321 N364 Y408 W410 F575	E320-V366 HydrophobicContact CB-CG2 3.77Å; L321-V366 PolarHBondContact O-N 3.03Å; N364-V366 PolarHBondContact O-N 3.05Å; V366-Y408 HydrophobicContact CG1-CE2 4.32Å; V366-W410 HydrophobicContact CG2-CB 4.05Å; V366-F575 WeakPolarHBondContact O-CB 3.43Å; V366-F575 PolarHBondContact O-N 2.99Å; V366-F575 VanDerWaalsContact O-N 3.13Å
367	D	91.5	Very high	80.2	Confident	49 Å²	49	38 Å²	38	26%	0.262	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	165.4	-174	-167.6	14.2	0	0	0	110.8	L322 V323 Y408	L322-D367 HydrophobicContact CD1-CB 3.84Å; V323-D367 PolarHBondContact N-O 3.45Å; D367-Y408 HydrophobicContact CB-CE2 3.99Å; D367-Y408 WeakPolarHBondContact CB-OH 3.37Å; D367-Y408 PolarHBondContact OD2-OH 3.19Å
368	I	91	Very high	80.1	Confident	30 Å²	30	46.7 Å²	46.7	15%	0.154	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	102.8	176.8	-51.8	-171.4	0	0	0	109.9	V323 V325 L341 V365 F575 Y576	V323-I368 HydrophobicContact CB-CG1 4.23Å; V323-I368 HydrophobicContact CB-CG2 4.44Å; V323-I368 HydrophobicContact CG1-CG2 4.25Å; V323-I368 CarbonylContact O-C 3.49Å; V323-I368 WeakPolarHBondContact O-CA 3.49Å; V325-I368 HydrophobicContact CG2-CG2 4.07Å; L341-I368 HydrophobicContact CD1-CD1 4.43Å; L341-I368 HydrophobicContact CD1-CG2 4.01Å; V365-I368 HydrophobicContact CG1-CG1 4.04Å; I368-F575 HydrophobicContact CD1-CD1 3.71Å; I368-F575 HydrophobicContact CD1-CE1 3.54Å; I368-F575 HydrophobicContact CD1-CZ 4.37Å; I368-F575 HydrophobicContact CG1-CD1 3.8Å; I368-F575 HydrophobicContact CG1-CE1 3.91Å; I368-F575 HydrophobicContact CG1-CG 4.3Å; I368-F575 HydrophobicContact CG1-CZ 4.49Å; I368-Y576 HydrophobicContact CD1-CD2 4.42Å; I368-Y576 HydrophobicContact CD1-CE2 3.65Å
369	I	90.7	Very high	80.1	Confident	33 Å²	33	48.2 Å²	48.2	17%	0.169	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	117.2	-179.9	-58.4	175.5	0	0	0	110.4	L322 V323 V324 V325 W399 L403	L322-I369 HydrophobicContact CD1-CD1 3.94Å; L322-I369 HydrophobicContact CD1-CG1 4.1Å; L322-I369 HydrophobicContact CD2-CD1 4.2Å; L322-I369 HydrophobicContact CG-CD1 4.5Å; V323-I369 PolarHBondContact O-N 2.85Å; V324-I369 CarbonylContact C-O 3.51Å; V324-I369 VanDerWaalsContact CA-O 3.31Å; V324-I369 WeakPolarHBondContact CA-O 3.46Å; V324-I369 HydrophobicContact CG1-CB 4.4Å; V324-I369 HydrophobicContact CG2-CB 4.35Å; V325-I369 PolarHBondContact N-O 3.14Å; I369-W399 HydrophobicContact CG2-CH2 4.23Å; I369-L403 HydrophobicContact CD1-CD1 3.68Å
370	L	88.6	Confident	80.2	Confident	79 Å²	79	51.5 Å²	51.5	41%	0.414	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	123.6	160.4	178.8	66.3	0	0	0	109.8	K330 D372	K330-L370 HydrophobicContact CB-CD1 3.99Å; K330-L370 HydrophobicContact CD-CD1 3.66Å; K330-L370 HydrophobicContact CD-CD2 3.5Å; K330-L370 VanDerWaalsContact CD-CD2 3.5Å; K330-L370 HydrophobicContact CD-CG 4.22Å; K330-L370 HydrophobicContact CG-CD1 4.49Å; L370-D372 PolarHBondContact O-N 3.07Å
371	L	83	Confident	80.4	Confident	5 Å²	5	50.6 Å²	50.6	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	114.3	-177.1	-169.5	74.6	0	0	0	111.3	V324 V325 T326 A376 L381 W399	V324-L371 HydrophobicContact CG1-CB 4.33Å; V324-L371 HydrophobicContact CG1-CD1 4.35Å; V325-L371 WeakPolarHBondContact O-CB 3.33Å; V325-L371 PolarHBondContact O-N 3.07Å; T326-L371 HydrophobicContact CG2-CD2 4.4Å; L371-A376 HydrophobicContact CD2-CB 3.66Å; L371-A376 HydrophobicContact CG-CB 3.96Å; L371-L381 HydrophobicContact CD2-CB 3.94Å; L371-L381 VanDerWaalsContact CD2-O 3.3Å; L371-L381 WeakPolarHBondContact CD2-O 3.02Å; L371-W399 HydrophobicContact CD1-CH2 3.6Å; L371-W399 HydrophobicContact CD1-CZ2 3.57Å; L371-W399 HydrophobicContact CD1-CZ3 4.14Å
372	D	77.5	Confident	79.3	Confident	84 Å²	84	52.2 Å²	52.2	45%	0.449	25%	0.247	S	C	.	.			trans	-58	129.3	-177.6	172	-91.5	0	0	0	113.2	L370 V374 Y375 A376	L370-D372 PolarHBondContact O-N 3.07Å; D372-V374 VanDerWaalsContact C-N 3.26Å; D372-V374 PolarHBondContact O-N 3.25Å; D372-V374 WeakPolarHBondContact OD1-CA 3.09Å; D372-V374 WeakPolarHBondContact OD1-CB 3.04Å; D372-V374 PolarHBondContact OD1-N 2.91Å; D372-Y375 PolarHBondContact O-N 3.01Å; D372-Y375 WeakPolarHBondContact OD1-CB 3.15Å; D372-Y375 PolarHBondContact OD1-N 3.12Å; D372-A376 VanDerWaalsContact O-CB 3.25Å; D372-A376 WeakPolarHBondContact O-CB 3.44Å; D372-A376 PolarHBondContact O-N 3.37Å
373	P	72.4	Confident	78.1	Confident	37 Å²	37	55 Å²	55	24%	0.24	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	0.8	-174.1	32.1	-37.6	0	0	0	114.7	E327 R377 E382	E327-P373 HydrophobicContact CB-CB 4.32Å; E327-P373 HydrophobicContact CG-CB 4.4Å; E327-P373 HydrophobicContact CG-CG 4.34Å; P373-R377 PolarHBondContact O-NE 3.32Å; P373-R377 PolarHBondContact O-NH2 2.71Å; P373-E382 WeakPolarHBondContact CA-OE1 3.44Å; P373-E382 WeakPolarHBondContact CA-OE2 3.44Å; P373-E382 WeakPolarHBondContact CB-OE1 3.43Å
374	V	74.7	Confident	77	Confident	82 Å²	82	55.2 Å²	55.2	50%	0.497	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-40.1	168.1	-177.5	0	0	0	0	109.4	D372 R378	D372-V374 VanDerWaalsContact C-N 3.26Å; D372-V374 PolarHBondContact O-N 3.25Å; D372-V374 WeakPolarHBondContact OD1-CA 3.09Å; D372-V374 WeakPolarHBondContact OD1-CB 3.04Å; D372-V374 PolarHBondContact OD1-N 2.91Å; V374-R378 VanDerWaalsContact O-CB 3.27Å; V374-R378 WeakPolarHBondContact O-CB 3.45Å; V374-R378 PolarHBondContact O-N 2.9Å; V374-R378 VanDerWaalsContact O-N 3.1Å
375	Y	70	Confident	75.3	Confident	77 Å²	77	56.6 Å²	56.6	30%	0.302	28%	0.275	S	S	.	.	H	α-helix	trans	-66	-41.4	175	-165.3	-75.5	0	0	0	111.8	D372 R378 H379 W399	D372-Y375 PolarHBondContact O-N 3.01Å; D372-Y375 WeakPolarHBondContact OD1-CB 3.15Å; D372-Y375 PolarHBondContact OD1-N 3.12Å; Y375-R378 WeakPolarHBondContact O-CB 3.19Å; Y375-R378 PolarHBondContact O-N 2.64Å; Y375-H379 AromaticContact CD1-CE1 3.84Å; Y375-H379 AromaticContact CD1-ND1 3.31Å; Y375-H379 VanDerWaalsContact CD1-ND1 3.31Å; Y375-H379 WeakPolarHBondContact CD1-ND1 3.35Å; Y375-H379 HydrophobicContact CE1-CB 4.34Å; Y375-H379 AromaticContact CE1-CE1 3.32Å; Y375-H379 WeakPolarHBondContact CE1-CE1 3.17Å; Y375-H379 AromaticContact CE1-CG 3.61Å; Y375-H379 AromaticContact CE1-ND1 3.08Å; Y375-H379 WeakPolarHBondContact CE1-ND1 3.39Å; Y375-H379 AromaticContact CE1-NE2 3.96Å; Y375-H379 AromaticContact CE2-CE1 3.57Å; Y375-H379 AromaticContact CG-ND1 3.86Å; Y375-H379 AromaticContact CZ-CE1 3.19Å; Y375-H379 AromaticContact CZ-ND1 3.52Å; Y375-H379 AromaticContact CZ-NE2 3.73Å; Y375-H379 PolarHBondContact O-N 3.33Å; Y375-H379 PolarHBondContact O-ND1 2.9Å; Y375-W399 AromaticContact CD1-NE1 3.92Å; Y375-W399 AromaticContact CE1-CD1 3.31Å; Y375-W399 HydrophobicContact CE1-CG 4.4Å; Y375-W399 AromaticContact CE1-NE1 3.06Å; Y375-W399 AromaticContact CZ-CD1 3.66Å; Y375-W399 AromaticContact CZ-NE1 3.4Å; Y375-W399 VanDerWaalsContact OH-CD1 3.27Å; Y375-W399 PolarHBondContact OH-NE1 2.88Å
376	A	70.7	Confident	73.7	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66	-53.5	-176.6	0	0	0	0	0	111.2	L371 D372 R378 H379 N380 L381 E382	L371-A376 HydrophobicContact CD2-CB 3.66Å; L371-A376 HydrophobicContact CG-CB 3.96Å; D372-A376 VanDerWaalsContact O-CB 3.25Å; D372-A376 WeakPolarHBondContact O-CB 3.44Å; D372-A376 PolarHBondContact O-N 3.37Å; A376-R378 VanDerWaalsContact C-N 3.32Å; A376-R378 PolarHBondContact O-N 3.26Å; A376-H379 CarbonylContact O-C 3.5Å; A376-H379 PolarHBondContact O-N 3.46Å; A376-H379 VanDerWaalsContact O-N 3.09Å; A376-N380 PolarHBondContact O-N 2.81Å; A376-L381 HydrophobicContact CB-CB 4.25Å; A376-L381 PolarHBondContact O-N 3.44Å; A376-E382 HydrophobicContact CB-CB 3.58Å; A376-E382 HydrophobicContact CB-CG 3.62Å; A376-E382 WeakPolarHBondContact CB-OE2 3.25Å
377	R	71.9	Confident	72.7	Confident	161 Å²	161	62.7 Å²	62.7	61%	0.608	31%	0.309	S	S	*	.	H	α-helix	trans	-48.2	-48.8	165.1	-94.9	173.3	-64.1	173.1	1.4	112.8	P373 H379 N380 E382	P373-R377 PolarHBondContact O-NE 3.32Å; P373-R377 PolarHBondContact O-NH2 2.71Å; R377-H379 PolarHBondContact O-N 3.37Å; R377-H379 VanDerWaalsContact O-N 3.14Å; R377-N380 PolarHBondContact O-N 3.48Å; R377-N380 PolarHBondContact O-OD1 3.31Å; R377-E382 WeakPolarHBondContact CB-OE2 3.28Å; R377-E382 VanDerWaalsContact CG-OE2 3.26Å; R377-E382 WeakPolarHBondContact CG-OE2 3.25Å; R377-E382 PolarHBondContact N-OE2 3.11Å; R377-E382 IonicContact NE-OE2 3.23Å; R377-E382 PolarHBondContact NE-OE2 3.45Å
378	R	71.8	Confident	71.8	Confident	186 Å²	186	65.4 Å²	65.4	70%	0.702	32%	0.319	S	S	*	.	H	α-helix	trans	-59.8	-25.7	-180	-176.2	179.1	-66.3	175.7	0.7	114.1	V374 Y375 A376	V374-R378 VanDerWaalsContact O-CB 3.27Å; V374-R378 WeakPolarHBondContact O-CB 3.45Å; V374-R378 PolarHBondContact O-N 2.9Å; V374-R378 VanDerWaalsContact O-N 3.1Å; Y375-R378 WeakPolarHBondContact O-CB 3.19Å; Y375-R378 PolarHBondContact O-N 2.64Å; A376-R378 VanDerWaalsContact C-N 3.32Å; A376-R378 PolarHBondContact O-N 3.26Å
379	H	68.4	Low	71.3	Confident	61 Å²	61	66 Å²	66	28%	0.282	32%	0.321	S	S	.	.	H	α-helix	trans	-112.5	7.4	-178.2	-65.5	84.3	0	0	0	113.9	Y375 A376 R377 L381	Y375-H379 AromaticContact CD1-CE1 3.84Å; Y375-H379 AromaticContact CD1-ND1 3.31Å; Y375-H379 VanDerWaalsContact CD1-ND1 3.31Å; Y375-H379 WeakPolarHBondContact CD1-ND1 3.35Å; Y375-H379 HydrophobicContact CE1-CB 4.34Å; Y375-H379 AromaticContact CE1-CE1 3.32Å; Y375-H379 WeakPolarHBondContact CE1-CE1 3.17Å; Y375-H379 AromaticContact CE1-CG 3.61Å; Y375-H379 AromaticContact CE1-ND1 3.08Å; Y375-H379 WeakPolarHBondContact CE1-ND1 3.39Å; Y375-H379 AromaticContact CE1-NE2 3.96Å; Y375-H379 AromaticContact CE2-CE1 3.57Å; Y375-H379 AromaticContact CG-ND1 3.86Å; Y375-H379 AromaticContact CZ-CE1 3.19Å; Y375-H379 AromaticContact CZ-ND1 3.52Å; Y375-H379 AromaticContact CZ-NE2 3.73Å; Y375-H379 PolarHBondContact O-N 3.33Å; Y375-H379 PolarHBondContact O-ND1 2.9Å; A376-H379 CarbonylContact O-C 3.5Å; A376-H379 PolarHBondContact O-N 3.46Å; A376-H379 VanDerWaalsContact O-N 3.09Å; R377-H379 PolarHBondContact O-N 3.37Å; R377-H379 VanDerWaalsContact O-N 3.14Å; H379-L381 VanDerWaalsContact C-N 3.32Å; H379-L381 HydrophobicContact CB-CD1 3.81Å; H379-L381 HydrophobicContact CB-CG 3.91Å; H379-L381 PolarHBondContact O-N 2.78Å
380	N	66.9	Low	70.6	Confident	101 Å²	101	70.2 Å²	70.2	54%	0.54	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	47.4	-172.3	-56.9	-36.9	0	0	0	112.4	A376 R377 W384 R395	A376-N380 PolarHBondContact O-N 2.81Å; R377-N380 PolarHBondContact O-N 3.48Å; R377-N380 PolarHBondContact O-OD1 3.31Å; N380-W384 PolarHBondContact O-NE1 2.83Å; N380-R395 VanDerWaalsContact CB-NH1 3.34Å; N380-R395 WeakPolarHBondContact O-CD 3.42Å; N380-R395 PolarHBondContact O-NH1 3.39Å
381	L	68.8	Low	70.2	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.01	34%	0.339	C	S	.	.			trans	-114.6	12.7	-179.4	-66.6	176.3	0	0	0	113.9	L371 A376 H379 W384 R395 W399	L371-L381 HydrophobicContact CD2-CB 3.94Å; L371-L381 VanDerWaalsContact CD2-O 3.3Å; L371-L381 WeakPolarHBondContact CD2-O 3.02Å; A376-L381 HydrophobicContact CB-CB 4.25Å; A376-L381 PolarHBondContact O-N 3.44Å; H379-L381 VanDerWaalsContact C-N 3.32Å; H379-L381 HydrophobicContact CB-CD1 3.81Å; H379-L381 HydrophobicContact CB-CG 3.91Å; H379-L381 PolarHBondContact O-N 2.78Å; L381-W384 HydrophobicContact CB-CZ2 4.06Å; L381-W384 HydrophobicContact CD2-CZ2 4.12Å; L381-W384 WeakPolarHBondContact O-CZ2 3.46Å; L381-R395 HydrophobicContact CD2-CB 3.68Å; L381-W399 HydrophobicContact CD1-CB 4Å; L381-W399 HydrophobicContact CD1-CD2 4.21Å; L381-W399 HydrophobicContact CD1-CG 3.86Å
382	E	60	Low	70.2	Confident	35 Å²	35	70.3 Å²	70.3	16%	0.164	34%	0.338	C	S	.	.	S	Bend	trans	-113.6	-50.2	-173.8	-143.8	169.8	152.7	0	0	112.4	P373 A376 R377 N417	P373-E382 WeakPolarHBondContact CA-OE1 3.44Å; P373-E382 WeakPolarHBondContact CA-OE2 3.44Å; P373-E382 WeakPolarHBondContact CB-OE1 3.43Å; A376-E382 HydrophobicContact CB-CB 3.58Å; A376-E382 HydrophobicContact CB-CG 3.62Å; A376-E382 WeakPolarHBondContact CB-OE2 3.25Å; R377-E382 WeakPolarHBondContact CB-OE2 3.28Å; R377-E382 VanDerWaalsContact CG-OE2 3.26Å; R377-E382 WeakPolarHBondContact CG-OE2 3.25Å; R377-E382 PolarHBondContact N-OE2 3.11Å; R377-E382 IonicContact NE-OE2 3.23Å; R377-E382 PolarHBondContact NE-OE2 3.45Å; E382-N417 PolarHBondContact O-ND2 2.75Å
383	D	58.5	Low	70.6	Confident	115 Å²	115	66.7 Å²	66.7	62%	0.615	32%	0.318	S	S	*	.			trans	-114.6	99.2	180	-166.9	4.6	0	0	0	110.2	S385	D383-S385 WeakPolarHBondContact OD1-CB 3.27Å; D383-S385 PolarHBondContact OD1-N 3.45Å; D383-S385 PolarHBondContact OD1-OG 3.34Å
384	W	66.4	Low	71.1	Confident	6 Å²	6	66.5 Å²	66.5	2%	0.023	32%	0.32	C	S	.	.			trans	-102.6	8.2	173.3	-52.9	-42.4	0	0	0	113	T326 N380 L381 N386 S387 V392 L415 N417	T326-W384 HydrophobicContact CG2-CH2 4.18Å; N380-W384 PolarHBondContact O-NE1 2.83Å; L381-W384 HydrophobicContact CB-CZ2 4.06Å; L381-W384 HydrophobicContact CD2-CZ2 4.12Å; L381-W384 WeakPolarHBondContact O-CZ2 3.46Å; W384-N386 PolarHBondContact O-N 2.97Å; W384-S387 WeakPolarHBondContact O-CB 3.4Å; W384-S387 PolarHBondContact O-N 2.74Å; W384-V392 HydrophobicContact CB-CG2 3.66Å; W384-V392 HydrophobicContact CD2-CB 4.25Å; W384-V392 HydrophobicContact CD2-CG1 3.48Å; W384-V392 VanDerWaalsContact CD2-CG1 3.48Å; W384-V392 HydrophobicContact CD2-CG2 3.8Å; W384-V392 HydrophobicContact CE3-CG1 3.52Å; W384-V392 HydrophobicContact CE3-CG2 4.3Å; W384-V392 HydrophobicContact CG-CB 4.36Å; W384-V392 HydrophobicContact CG-CG1 4.09Å; W384-V392 HydrophobicContact CG-CG2 3.45Å; W384-V392 VanDerWaalsContact CG-CG2 3.45Å; W384-V392 HydrophobicContact CH2-CG1 4.24Å; W384-V392 HydrophobicContact CZ2-CG1 4.1Å; W384-V392 HydrophobicContact CZ3-CG1 3.9Å; W384-L415 HydrophobicContact CH2-CD1 3.87Å; W384-L415 HydrophobicContact CH2-CD2 3.04Å; W384-L415 HydrophobicContact CH2-CG 3.48Å; W384-L415 VanDerWaalsContact CH2-CG 3.48Å; W384-L415 HydrophobicContact CZ2-CD2 3.59Å; W384-L415 HydrophobicContact CZ2-CG 4.41Å; W384-L415 HydrophobicContact CZ3-CD2 3.6Å; W384-L415 HydrophobicContact CZ3-CG 3.93Å; W384-N417 HydrophobicContact CE3-CB 4.2Å; W384-N417 VanDerWaalsContact CE3-ND2 3.29Å; W384-N417 HydrophobicContact CH2-CB 4.44Å; W384-N417 HydrophobicContact CZ3-CB 3.59Å; W384-N417 WeakPolarHBondContact CZ3-ND2 3.29Å
385	S	56.5	Low	71.6	Confident	43 Å²	43	65.9 Å²	65.9	30%	0.301	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	117.5	167.5	-48.2	0	0	0	0	107.9	D383 S387 H420	D383-S385 WeakPolarHBondContact OD1-CB 3.27Å; D383-S385 PolarHBondContact OD1-N 3.45Å; D383-S385 PolarHBondContact OD1-OG 3.34Å; S385-S387 VanDerWaalsContact C-N 3.34Å; S385-S387 PolarHBondContact O-N 3.26Å; S385-H420 WeakPolarHBondContact CA-O 3.47Å
386	N	57.1	Low	72.6	Confident	107 Å²	107	62.2 Å²	62.2	57%	0.572	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	12.4	-176.3	-36.5	-63.3	0	0	0	117	W384 H420 K422	W384-N386 PolarHBondContact O-N 2.97Å; N386-H420 PolarHBondContact OD1-NE2 3.47Å; N386-K422 VanDerWaalsContact O-CD 3.32Å; N386-K422 WeakPolarHBondContact O-CD 3.38Å
387	S	70.5	Confident	73.5	Confident	23 Å²	23	62.6 Å²	62.6	16%	0.161	30%	0.297	C	S	.	.			trans	-87.8	149.9	166.2	-72.1	0	0	0	0	112	W384 S385 K422	W384-S387 WeakPolarHBondContact O-CB 3.4Å; W384-S387 PolarHBondContact O-N 2.74Å; S385-S387 VanDerWaalsContact C-N 3.34Å; S385-S387 PolarHBondContact O-N 3.26Å; S387-K422 WeakPolarHBondContact O-CB 3.46Å; S387-K422 PolarHBondContact O-N 2.87Å
388	K	73.4	Confident	74.3	Confident	106 Å²	106	61 Å²	61	46%	0.461	29%	0.294	S	S	.	.			trans	-72.4	138.8	171.7	-73.1	-163.8	170.9	-155.9	0	111.1	E390 Q391 V392	K388-E390 VanDerWaalsContact C-N 3.29Å; K388-E390 PolarHBondContact O-N 3.09Å; K388-Q391 HydrophobicContact CB-CG 4.23Å; K388-Q391 WeakPolarHBondContact O-CA 3.08Å; K388-Q391 WeakPolarHBondContact O-CB 3.27Å; K388-Q391 PolarHBondContact O-N 2.98Å; K388-V392 PolarHBondContact O-N 3.08Å
389	Q	79.6	Confident	75.1	Confident	43 Å²	43	53 Å²	53	20%	0.201	26%	0.264	C	S	.	.	H	α-helix	trans	-57.3	-37.5	-178.3	71.2	-77.9	14	0	0	113.2	Q391 V392 M393 F421 S423 V428	Q389-Q391 VanDerWaalsContact C-N 3.26Å; Q389-Q391 PolarHBondContact O-N 3.22Å; Q389-V392 WeakPolarHBondContact O-CB 3.21Å; Q389-V392 PolarHBondContact O-N 2.91Å; Q389-M393 PolarHBondContact O-N 3.2Å; Q389-F421 HydrophobicContact CB-CB 4.39Å; Q389-F421 HydrophobicContact CB-CD1 4.31Å; Q389-F421 HydrophobicContact CB-CD2 3.69Å; Q389-F421 HydrophobicContact CB-CE2 3.97Å; Q389-F421 HydrophobicContact CB-CG 3.89Å; Q389-F421 HydrophobicContact CB-CZ 4.4Å; Q389-S423 PolarHBondContact NE2-OG 3.04Å; Q389-S423 PolarHBondContact OE1-OG 3.18Å; Q389-V428 HydrophobicContact CB-CB 4.25Å; Q389-V428 HydrophobicContact CB-CG1 4.03Å; Q389-V428 HydrophobicContact CG-CB 4.08Å; Q389-V428 HydrophobicContact CG-CG1 4.32Å; Q389-V428 HydrophobicContact CG-CG2 3.94Å
390	E	75.1	Confident	76.1	Confident	122 Å²	122	50.1 Å²	50.1	57%	0.57	25%	0.251	S	S	*	.	H	α-helix	trans	-52.9	-40.9	170.5	-62.8	167.2	-169.5	0	0	113.1	K388 A394	K388-E390 VanDerWaalsContact C-N 3.29Å; K388-E390 PolarHBondContact O-N 3.09Å; E390-A394 WeakPolarHBondContact O-CB 3.19Å; E390-A394 PolarHBondContact O-N 2.86Å
391	Q	81.8	Confident	77.2	Confident	86 Å²	86	47.4 Å²	47.4	40%	0.402	24%	0.237	S	C	.	.	H	α-helix	trans	-77.4	-33.9	-176.8	-60.4	-174.3	15.3	0	0	111.4	K388 Q389 R395	K388-Q391 HydrophobicContact CB-CG 4.23Å; K388-Q391 WeakPolarHBondContact O-CA 3.08Å; K388-Q391 WeakPolarHBondContact O-CB 3.27Å; K388-Q391 PolarHBondContact O-N 2.98Å; Q389-Q391 VanDerWaalsContact C-N 3.26Å; Q389-Q391 PolarHBondContact O-N 3.22Å; Q391-R395 VanDerWaalsContact O-CG 3.23Å; Q391-R395 WeakPolarHBondContact O-CG 3.2Å; Q391-R395 PolarHBondContact O-N 2.9Å; Q391-R395 VanDerWaalsContact O-N 3.11Å
392	V	82.3	Confident	78	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.6	-56.3	171.2	178.4	0	0	0	0	109.1	W384 K388 Q389 A394 R395 F396 L415 F421 A443	W384-V392 HydrophobicContact CB-CG2 3.66Å; W384-V392 HydrophobicContact CD2-CB 4.25Å; W384-V392 HydrophobicContact CD2-CG1 3.48Å; W384-V392 VanDerWaalsContact CD2-CG1 3.48Å; W384-V392 HydrophobicContact CD2-CG2 3.8Å; W384-V392 HydrophobicContact CE3-CG1 3.52Å; W384-V392 HydrophobicContact CE3-CG2 4.3Å; W384-V392 HydrophobicContact CG-CB 4.36Å; W384-V392 HydrophobicContact CG-CG1 4.09Å; W384-V392 HydrophobicContact CG-CG2 3.45Å; W384-V392 VanDerWaalsContact CG-CG2 3.45Å; W384-V392 HydrophobicContact CH2-CG1 4.24Å; W384-V392 HydrophobicContact CZ2-CG1 4.1Å; W384-V392 HydrophobicContact CZ3-CG1 3.9Å; K388-V392 PolarHBondContact O-N 3.08Å; Q389-V392 WeakPolarHBondContact O-CB 3.21Å; Q389-V392 PolarHBondContact O-N 2.91Å; V392-A394 PolarHBondContact O-N 3.3Å; V392-R395 PolarHBondContact O-N 2.68Å; V392-R395 VanDerWaalsContact O-N 3.12Å; V392-F396 WeakPolarHBondContact O-CB 3.12Å; V392-F396 PolarHBondContact O-N 3.36Å; V392-L415 HydrophobicContact CG1-CD2 4.09Å; V392-F421 HydrophobicContact CB-CE1 4.37Å; V392-F421 HydrophobicContact CG1-CE1 4.26Å; V392-F421 HydrophobicContact CG2-CD1 4.2Å; V392-F421 HydrophobicContact CG2-CE1 4.08Å; V392-A443 HydrophobicContact CG1-CB 4.15Å
393	M	86.3	Confident	79.3	Confident	7 Å²	7	55.8 Å²	55.8	3%	0.034	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-45.1	-179.2	-172.9	151.1	64.7	0	0	112.1	Q389 R395 F396 C397 V428 A429 C441	Q389-M393 PolarHBondContact O-N 3.2Å; M393-R395 PolarHBondContact O-N 3.05Å; M393-R395 VanDerWaalsContact O-N 3.17Å; M393-F396 PolarHBondContact O-N 3.43Å; M393-F396 VanDerWaalsContact O-N 3.1Å; M393-C397 WeakPolarHBondContact CG-SG 3.39Å; M393-C397 WeakPolarHBondContact O-CB 3.24Å; M393-C397 PolarHBondContact O-N 2.7Å; M393-C397 PolarHBondContact O-SG 3.21Å; M393-V428 HydrophobicContact CB-CG1 4.09Å; M393-V428 HydrophobicContact CE-CB 4.47Å; M393-V428 HydrophobicContact CE-CG1 4.05Å; M393-V428 HydrophobicContact CE-CG2 3.93Å; M393-V428 HydrophobicContact SD-CG1 4.14Å; M393-A429 VanDerWaalsContact CE-C 3.48Å; M393-C441 VanDerWaalsContact SD-O 3.36Å
394	A	82.7	Confident	80.7	Confident	34 Å²	34	53.7 Å²	53.7	28%	0.281	25%	0.254	S	S	.	.	H	α-helix	trans	-67.2	-15	178.2	0	0	0	0	0	114.7	E390 V392	E390-A394 WeakPolarHBondContact O-CB 3.19Å; E390-A394 PolarHBondContact O-N 2.86Å; V392-A394 PolarHBondContact O-N 3.3Å
395	R	86	Confident	81.4	Confident	69 Å²	69	56.4 Å²	56.4	26%	0.26	27%	0.271	S	S	.	.	H	α-helix	trans	-86.3	-45.8	166.7	-70.4	172.5	-165	161.6	9.4	110.6	N380 L381 Q391 V392 M393 K398 W399	N380-R395 VanDerWaalsContact CB-NH1 3.34Å; N380-R395 WeakPolarHBondContact O-CD 3.42Å; N380-R395 PolarHBondContact O-NH1 3.39Å; L381-R395 HydrophobicContact CD2-CB 3.68Å; Q391-R395 VanDerWaalsContact O-CG 3.23Å; Q391-R395 WeakPolarHBondContact O-CG 3.2Å; Q391-R395 PolarHBondContact O-N 2.9Å; Q391-R395 VanDerWaalsContact O-N 3.11Å; V392-R395 PolarHBondContact O-N 2.68Å; V392-R395 VanDerWaalsContact O-N 3.12Å; M393-R395 PolarHBondContact O-N 3.05Å; M393-R395 VanDerWaalsContact O-N 3.17Å; R395-K398 PolarHBondContact O-N 3.03Å; R395-W399 PolarHBondContact O-N 2.89Å
396	F	89.9	Confident	82.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.8	-53.7	-178.9	174.8	-118.3	0	0	0	113.3	V324 V392 M393 K398 W399 V400 A413 L415 C441 L442	V324-F396 HydrophobicContact CB-CE2 4.08Å; V324-F396 HydrophobicContact CB-CZ 4.43Å; V324-F396 HydrophobicContact CG1-CE2 4.37Å; V324-F396 HydrophobicContact CG2-CE2 3.92Å; V324-F396 HydrophobicContact CG2-CZ 4.1Å; V392-F396 WeakPolarHBondContact O-CB 3.12Å; V392-F396 PolarHBondContact O-N 3.36Å; M393-F396 PolarHBondContact O-N 3.43Å; M393-F396 VanDerWaalsContact O-N 3.1Å; F396-K398 VanDerWaalsContact C-N 3.25Å; F396-K398 PolarHBondContact O-N 3.25Å; F396-W399 AromaticContact CD2-CE3 3.9Å; F396-W399 HydrophobicContact CD2-CE3 3.9Å; F396-W399 HydrophobicContact CD2-CZ3 4.28Å; F396-W399 AromaticContact CE2-CE3 3.92Å; F396-W399 HydrophobicContact CE2-CE3 3.92Å; F396-W399 AromaticContact CE2-CZ3 3.88Å; F396-W399 HydrophobicContact CE2-CZ3 3.88Å; F396-W399 CarbonylContact O-C 3.56Å; F396-W399 WeakPolarHBondContact O-CA 3.39Å; F396-W399 WeakPolarHBondContact O-CB 3.22Å; F396-W399 PolarHBondContact O-N 2.83Å; F396-V400 HydrophobicContact CD2-CB 4.46Å; F396-V400 HydrophobicContact CE1-CG1 4.34Å; F396-V400 HydrophobicContact CE2-CB 4Å; F396-V400 HydrophobicContact CE2-CG1 4.43Å; F396-V400 HydrophobicContact CE2-CG2 4.31Å; F396-V400 HydrophobicContact CZ-CB 4.15Å; F396-V400 HydrophobicContact CZ-CG1 4.2Å; F396-V400 HydrophobicContact CZ-CG2 4.26Å; F396-V400 PolarHBondContact O-N 3Å; F396-A413 HydrophobicContact CE1-CB 4.25Å; F396-A413 HydrophobicContact CZ-CB 3.99Å; F396-L415 HydrophobicContact CB-CD2 3.65Å; F396-L415 HydrophobicContact CD1-CB 3.89Å; F396-L415 HydrophobicContact CD1-CD2 4.25Å; F396-L415 HydrophobicContact CD2-CB 3.83Å; F396-L415 HydrophobicContact CD2-CD1 3.76Å; F396-L415 HydrophobicContact CD2-CD2 3.63Å; F396-L415 HydrophobicContact CD2-CG 3.95Å; F396-L415 HydrophobicContact CE1-CB 3.81Å; F396-L415 HydrophobicContact CE2-CB 3.75Å; F396-L415 HydrophobicContact CE2-CD1 3.79Å; F396-L415 HydrophobicContact CE2-CD2 4.35Å; F396-L415 HydrophobicContact CE2-CG 4.18Å; F396-L415 HydrophobicContact CG-CB 3.91Å; F396-L415 HydrophobicContact CG-CD2 3.57Å; F396-L415 HydrophobicContact CG-CG 4.23Å; F396-L415 HydrophobicContact CZ-CB 3.74Å; F396-C441 HydrophobicContact CD1-CB 4.14Å; F396-C441 HydrophobicContact CE1-CB 4.06Å; F396-L442 WeakPolarHBondContact CE1-O 3.48Å
397	C	90.8	Very high	82.9	Confident	7 Å²	7	59.4 Å²	59.4	5%	0.047	29%	0.294	C	S	.	.	H	α-helix	trans	-52.8	-45.2	175.7	-63.2	0	0	0	0	111.4	M393 W399 N401 C441	M393-C397 WeakPolarHBondContact CG-SG 3.39Å; M393-C397 WeakPolarHBondContact O-CB 3.24Å; M393-C397 PolarHBondContact O-N 2.7Å; M393-C397 PolarHBondContact O-SG 3.21Å; C397-W399 VanDerWaalsContact C-N 3.26Å; C397-W399 PolarHBondContact O-N 3.05Å; C397-N401 VanDerWaalsContact O-CB 3.28Å; C397-N401 WeakPolarHBondContact O-CB 3.49Å; C397-N401 VanDerWaalsContact O-CG 3.27Å; C397-N401 PolarHBondContact O-N 3.13Å; C397-N401 VanDerWaalsContact O-N 3.16Å; C397-N401 PolarHBondContact O-ND2 2.85Å; C397-C441 HydrophobicContact CB-CB 4.05Å; C397-C441 WeakPolarHBondContact CB-SG 3.28Å; C397-C441 WeakPolarHBondContact SG-CB 3.3Å; C397-C441 CovalentContact SG-SG 2.02Å; C397-C441 PolarHBondContact SG-SG 2.79Å
398	K	88.3	Confident	83.4	Confident	127 Å²	127	60.5 Å²	60.5	55%	0.552	30%	0.295	S	S	*	.	H	α-helix	trans	-66.4	-26.2	177.8	-177.7	172.4	179.4	177.4	0	113.1	R395 F396 R402	R395-K398 PolarHBondContact O-N 3.03Å; F396-K398 VanDerWaalsContact C-N 3.25Å; F396-K398 PolarHBondContact O-N 3.25Å; K398-R402 VanDerWaalsContact O-CD 3.29Å; K398-R402 WeakPolarHBondContact O-CD 3.27Å; K398-R402 WeakPolarHBondContact O-CG 3.39Å; K398-R402 PolarHBondContact O-NE 2.82Å
399	W	87.5	Confident	84	Confident	19 Å²	19	56 Å²	56	7%	0.072	28%	0.277	C	S	.	.	H	α-helix	trans	-82.1	-56.2	174.7	171.4	73.8	0	0	0	111.7	V324 I369 L371 Y375 L381 R395 F396 C397 N401 R402 L403	V324-W399 HydrophobicContact CB-CZ3 4.46Å; V324-W399 HydrophobicContact CG1-CH2 3.86Å; V324-W399 HydrophobicContact CG1-CZ3 3.73Å; V324-W399 HydrophobicContact CG2-CH2 4.46Å; V324-W399 HydrophobicContact CG2-CZ3 4.02Å; I369-W399 HydrophobicContact CG2-CH2 4.23Å; L371-W399 HydrophobicContact CD1-CH2 3.6Å; L371-W399 HydrophobicContact CD1-CZ2 3.57Å; L371-W399 HydrophobicContact CD1-CZ3 4.14Å; Y375-W399 AromaticContact CD1-NE1 3.92Å; Y375-W399 AromaticContact CE1-CD1 3.31Å; Y375-W399 HydrophobicContact CE1-CG 4.4Å; Y375-W399 AromaticContact CE1-NE1 3.06Å; Y375-W399 AromaticContact CZ-CD1 3.66Å; Y375-W399 AromaticContact CZ-NE1 3.4Å; Y375-W399 VanDerWaalsContact OH-CD1 3.27Å; Y375-W399 PolarHBondContact OH-NE1 2.88Å; L381-W399 HydrophobicContact CD1-CB 4Å; L381-W399 HydrophobicContact CD1-CD2 4.21Å; L381-W399 HydrophobicContact CD1-CG 3.86Å; R395-W399 PolarHBondContact O-N 2.89Å; F396-W399 AromaticContact CD2-CE3 3.9Å; F396-W399 HydrophobicContact CD2-CE3 3.9Å; F396-W399 HydrophobicContact CD2-CZ3 4.28Å; F396-W399 AromaticContact CE2-CE3 3.92Å; F396-W399 HydrophobicContact CE2-CE3 3.92Å; F396-W399 AromaticContact CE2-CZ3 3.88Å; F396-W399 HydrophobicContact CE2-CZ3 3.88Å; F396-W399 CarbonylContact O-C 3.56Å; F396-W399 WeakPolarHBondContact O-CA 3.39Å; F396-W399 WeakPolarHBondContact O-CB 3.22Å; F396-W399 PolarHBondContact O-N 2.83Å; C397-W399 VanDerWaalsContact C-N 3.26Å; C397-W399 PolarHBondContact O-N 3.05Å; W399-N401 VanDerWaalsContact C-N 3.3Å; W399-N401 PolarHBondContact O-N 3.42Å; W399-R402 VanDerWaalsContact O-CB 3.25Å; W399-R402 WeakPolarHBondContact O-CB 3.48Å; W399-R402 PolarHBondContact O-N 3.23Å; W399-L403 HydrophobicContact CH2-CD1 3.75Å; W399-L403 HydrophobicContact CZ2-CD1 3.8Å; W399-L403 HydrophobicContact CZ3-CD1 4.17Å
400	V	89.9	Confident	84.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-37.1	-172.1	76.4	0	0	0	0	111.8	L322 F396 R402 L403 W410 A413	L322-V400 HydrophobicContact CD2-CG2 3.54Å; F396-V400 HydrophobicContact CD2-CB 4.46Å; F396-V400 HydrophobicContact CE1-CG1 4.34Å; F396-V400 HydrophobicContact CE2-CB 4Å; F396-V400 HydrophobicContact CE2-CG1 4.43Å; F396-V400 HydrophobicContact CE2-CG2 4.31Å; F396-V400 HydrophobicContact CZ-CB 4.15Å; F396-V400 HydrophobicContact CZ-CG1 4.2Å; F396-V400 HydrophobicContact CZ-CG2 4.26Å; F396-V400 PolarHBondContact O-N 3Å; V400-R402 PolarHBondContact O-N 3.12Å; V400-L403 HydrophobicContact CG2-CD1 4.49Å; V400-L403 WeakPolarHBondContact O-CB 3.01Å; V400-L403 PolarHBondContact O-N 3.03Å; V400-W410 HydrophobicContact CG2-CH2 4.42Å; V400-W410 HydrophobicContact CG2-CZ2 3.88Å; V400-W410 WeakPolarHBondContact O-CH2 3.5Å; V400-W410 VanDerWaalsContact O-CZ2 3.31Å; V400-W410 WeakPolarHBondContact O-CZ2 3.16Å; V400-A413 HydrophobicContact CG1-CB 4.06Å; V400-A413 HydrophobicContact CG2-CB 3.78Å
401	N	89.3	Confident	85.3	Confident	45 Å²	45	48.5 Å²	48.5	24%	0.241	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-8.1	176.2	-67.2	-31.2	0	0	0	114.1	C397 W399 R437 E438	C397-N401 VanDerWaalsContact O-CB 3.28Å; C397-N401 WeakPolarHBondContact O-CB 3.49Å; C397-N401 VanDerWaalsContact O-CG 3.27Å; C397-N401 PolarHBondContact O-N 3.13Å; C397-N401 VanDerWaalsContact O-N 3.16Å; C397-N401 PolarHBondContact O-ND2 2.85Å; W399-N401 VanDerWaalsContact C-N 3.3Å; W399-N401 PolarHBondContact O-N 3.42Å; N401-R437 PolarHBondContact ND2-O 2.95Å; N401-R437 PolarHBondContact OD1-O 2.65Å; N401-E438 PolarHBondContact ND2-O 3.15Å
402	R	87.4	Confident	85.9	Confident	156 Å²	156	44.4 Å²	44.4	59%	0.589	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-14.9	169.1	-63	165.9	162.3	-170.2	-12	113.5	K398 W399 V400	K398-R402 VanDerWaalsContact O-CD 3.29Å; K398-R402 WeakPolarHBondContact O-CD 3.27Å; K398-R402 WeakPolarHBondContact O-CG 3.39Å; K398-R402 PolarHBondContact O-NE 2.82Å; W399-R402 VanDerWaalsContact O-CB 3.25Å; W399-R402 WeakPolarHBondContact O-CB 3.48Å; W399-R402 PolarHBondContact O-N 3.23Å; V400-R402 PolarHBondContact O-N 3.12Å
403	L	86.6	Confident	86.5	Confident	56 Å²	56	44.4 Å²	44.4	29%	0.293	22%	0.222	S	C	.	.	S	Bend	trans	-86.2	-15.2	178.1	-53.8	177.3	0	0	0	112.4	I369 W399 V400 T405 W410	I369-L403 HydrophobicContact CD1-CD1 3.68Å; W399-L403 HydrophobicContact CH2-CD1 3.75Å; W399-L403 HydrophobicContact CZ2-CD1 3.8Å; W399-L403 HydrophobicContact CZ3-CD1 4.17Å; V400-L403 HydrophobicContact CG2-CD1 4.49Å; V400-L403 WeakPolarHBondContact O-CB 3.01Å; V400-L403 PolarHBondContact O-N 3.03Å; L403-T405 WeakPolarHBondContact O-CG2 3.34Å; L403-T405 PolarHBondContact O-N 3.45Å; L403-W410 HydrophobicContact CB-CH2 3.96Å
404	R	86.7	Confident	86.9	Confident	71 Å²	71	44 Å²	44	27%	0.268	22%	0.221	S	C	.	.			trans	-74.7	119.7	-170.2	-147.8	175.3	-169.9	-81.8	10.6	110.2	T409 W410	R404-T409 HydrophobicContact CG-CG2 4.33Å; R404-W410 VanDerWaalsContact CA-CH2 3.47Å; R404-W410 HydrophobicContact CB-CH2 3.45Å; R404-W410 VanDerWaalsContact CB-CH2 3.45Å; R404-W410 HydrophobicContact CB-CZ2 3.83Å; R404-W410 HydrophobicContact CB-CZ3 3.99Å; R404-W410 HydrophobicContact CG-CD2 4.43Å; R404-W410 HydrophobicContact CG-CE3 4.23Å; R404-W410 HydrophobicContact CG-CH2 3.67Å; R404-W410 HydrophobicContact CG-CZ2 3.86Å; R404-W410 HydrophobicContact CG-CZ3 3.85Å; R404-W410 PolarHBondContact NE-O 3.37Å; R404-W410 PolarHBondContact NH2-O 2.67Å
405	T	81.7	Confident	87.4	Confident	64 Å²	64	42.5 Å²	42.5	39%	0.393	21%	0.207	S	C	.	.			trans	-120.3	172.5	178.9	78.6	0	0	0	0	110.3	L403 T407 Y408 T409	L403-T405 WeakPolarHBondContact O-CG2 3.34Å; L403-T405 PolarHBondContact O-N 3.45Å; T405-T407 PolarHBondContact O-N 3.25Å; T405-T407 PolarHBondContact OG1-N 3.34Å; T405-T407 PolarHBondContact OG1-OG1 3.27Å; T405-Y408 PolarHBondContact N-O 2.73Å; T405-Y408 CarbonylContact O-C 3.59Å; T405-Y408 PolarHBondContact O-N 2.97Å; T405-Y408 VanDerWaalsContact O-O 3.13Å; T405-Y408 WeakPolarHBondContact OG1-CB 3.42Å; T405-Y408 PolarHBondContact OG1-N 2.77Å; T405-Y408 VanDerWaalsContact OG1-N 3.12Å; T405-T409 WeakPolarHBondContact O-CG2 3.18Å
406	P	72	Confident	87.6	Confident	132 Å²	132	39.2 Å²	39.2	86%	0.857	20%	0.195	S	C	*	.	S	Bend	trans	-62.1	-21.4	177.5	-25.5	36.5	0	0	0	115.4
407	T	72.5	Confident	87.5	Confident	80 Å²	80	39.5 Å²	39.5	49%	0.491	20%	0.197	S	C	.	.	S	Bend	trans	-109.1	-12.2	179.4	55.1	0	0	0	0	113.4	T405	T405-T407 PolarHBondContact O-N 3.25Å; T405-T407 PolarHBondContact OG1-N 3.34Å; T405-T407 PolarHBondContact OG1-OG1 3.27Å
408	Y	82.4	Confident	87.1	Confident	47 Å²	47	40.6 Å²	40.6	18%	0.184	20%	0.203	C	C	.	.	S	Bend	trans	-123.3	93.6	178.7	-174.2	-112.3	0	0	0	108.6	V366 D367 T405 W410	V366-Y408 HydrophobicContact CG1-CE2 4.32Å; D367-Y408 HydrophobicContact CB-CE2 3.99Å; D367-Y408 WeakPolarHBondContact CB-OH 3.37Å; D367-Y408 PolarHBondContact OD2-OH 3.19Å; T405-Y408 PolarHBondContact N-O 2.73Å; T405-Y408 CarbonylContact O-C 3.59Å; T405-Y408 PolarHBondContact O-N 2.97Å; T405-Y408 VanDerWaalsContact O-O 3.13Å; T405-Y408 WeakPolarHBondContact OG1-CB 3.42Å; T405-Y408 PolarHBondContact OG1-N 2.77Å; T405-Y408 VanDerWaalsContact OG1-N 3.12Å; Y408-W410 HydrophobicContact CD1-CE3 4.36Å; Y408-W410 AromaticContact CD1-CZ3 3.66Å; Y408-W410 HydrophobicContact CD1-CZ3 3.66Å; Y408-W410 HydrophobicContact CE1-CE3 4.29Å; Y408-W410 AromaticContact CE1-CZ3 3.66Å; Y408-W410 HydrophobicContact CE1-CZ3 3.66Å
409	T	85.7	Confident	86.4	Confident	12 Å²	12	36.1 Å²	36.1	7%	0.074	19%	0.193	C	C	.	.			trans	-133.3	158.4	-177.4	74.2	0	0	0	0	111.9	R404 T405 N570	R404-T409 HydrophobicContact CG-CG2 4.33Å; T405-T409 WeakPolarHBondContact O-CG2 3.18Å; T409-N570 WeakPolarHBondContact OG1-CB 3.35Å; T409-N570 PolarHBondContact OG1-O 2.87Å
410	W	90.9	Very high	85.6	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.008	21%	0.209	C	C	.	.			trans	-151.1	152.6	179.1	57.5	83.4	0	0	0	107.9	E320 L322 V366 V400 L403 R404 Y408	E320-W410 CarbonylContact O-C 3.58Å; L322-W410 HydrophobicContact CB-CB 3.95Å; L322-W410 HydrophobicContact CB-CD2 3.89Å; L322-W410 HydrophobicContact CB-CE3 4.29Å; L322-W410 HydrophobicContact CB-CG 3.71Å; L322-W410 HydrophobicContact CD2-CD2 3.7Å; L322-W410 HydrophobicContact CD2-CE3 3.64Å; L322-W410 HydrophobicContact CD2-CG 4.41Å; L322-W410 HydrophobicContact CD2-CH2 3.89Å; L322-W410 HydrophobicContact CD2-CZ2 3.98Å; L322-W410 HydrophobicContact CD2-CZ3 3.74Å; L322-W410 HydrophobicContact CG-CD2 4.44Å; V366-W410 HydrophobicContact CG2-CB 4.05Å; V400-W410 HydrophobicContact CG2-CH2 4.42Å; V400-W410 HydrophobicContact CG2-CZ2 3.88Å; V400-W410 WeakPolarHBondContact O-CH2 3.5Å; V400-W410 VanDerWaalsContact O-CZ2 3.31Å; V400-W410 WeakPolarHBondContact O-CZ2 3.16Å; L403-W410 HydrophobicContact CB-CH2 3.96Å; R404-W410 VanDerWaalsContact CA-CH2 3.47Å; R404-W410 HydrophobicContact CB-CH2 3.45Å; R404-W410 VanDerWaalsContact CB-CH2 3.45Å; R404-W410 HydrophobicContact CB-CZ2 3.83Å; R404-W410 HydrophobicContact CB-CZ3 3.99Å; R404-W410 HydrophobicContact CG-CD2 4.43Å; R404-W410 HydrophobicContact CG-CE3 4.23Å; R404-W410 HydrophobicContact CG-CH2 3.67Å; R404-W410 HydrophobicContact CG-CZ2 3.86Å; R404-W410 HydrophobicContact CG-CZ3 3.85Å; R404-W410 PolarHBondContact NE-O 3.37Å; R404-W410 PolarHBondContact NH2-O 2.67Å; Y408-W410 HydrophobicContact CD1-CE3 4.36Å; Y408-W410 AromaticContact CD1-CZ3 3.66Å; Y408-W410 HydrophobicContact CD1-CZ3 3.66Å; Y408-W410 HydrophobicContact CE1-CE3 4.29Å; Y408-W410 AromaticContact CE1-CZ3 3.66Å; Y408-W410 HydrophobicContact CE1-CZ3 3.66Å
411	D	91.9	Very high	84.9	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.021	21%	0.21	C	C	.	.	S	Bend	trans	-75.9	-41.2	175.5	-61.9	-41.5	0	0	0	111.4	E320 M434 S440 C565 L566	E320-D411 HydrophobicContact CB-CB 4.44Å; E320-D411 WeakPolarHBondContact CB-OD2 3.41Å; E320-D411 PolarHBondContact N-OD2 3.29Å; E320-D411 PolarHBondContact O-N 3.17Å; D411-M434 HydrophobicContact CB-SD 3.93Å; D411-S440 WeakPolarHBondContact O-CB 3.5Å; D411-S440 PolarHBondContact O-OG 2.91Å; D411-C565 WeakPolarHBondContact OD1-CB 3.27Å; D411-C565 PolarHBondContact OD1-SG 2.87Å; D411-L566 HydrophobicContact CB-CD2 4.2Å
412	S	93.7	Very high	83.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	161.5	177.7	-169.4	0	0	0	0	112.1	E320 L321 L322 S440 Q462	E320-S412 PolarHBondContact O-N 2.95Å; E320-S412 VanDerWaalsContact O-N 3.14Å; L321-S412 WeakPolarHBondContact CA-O 3.06Å; L322-S412 PolarHBondContact N-O 3.1Å; S412-S440 WeakPolarHBondContact CA-O 3.36Å; S412-S440 WeakPolarHBondContact CB-OG 3.32Å; S412-Q462 VanDerWaalsContact CB-OE1 3.32Å; S412-Q462 VanDerWaalsContact OG-CD 3.25Å; S412-Q462 PolarHBondContact OG-NE2 3.3Å; S412-Q462 PolarHBondContact OG-OE1 2.95Å
413	A	94.4	Very high	82.9	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.9	176.5	0	0	0	0	0	112.1	L322 F396 V400 S440 C441 L442	L322-A413 HydrophobicContact CB-CB 4.02Å; L322-A413 HydrophobicContact CD2-CB 4.45Å; L322-A413 HydrophobicContact CG-CB 4.43Å; L322-A413 CarbonylContact O-C 3.49Å; L322-A413 VanDerWaalsContact O-CA 3.26Å; L322-A413 WeakPolarHBondContact O-CA 3.45Å; F396-A413 HydrophobicContact CE1-CB 4.25Å; F396-A413 HydrophobicContact CZ-CB 3.99Å; V400-A413 HydrophobicContact CG1-CB 4.06Å; V400-A413 HydrophobicContact CG2-CB 3.78Å; A413-S440 PolarHBondContact N-O 3.22Å; A413-C441 CarbonylContact O-C 3.54Å; A413-C441 VanDerWaalsContact O-CA 3.26Å; A413-C441 WeakPolarHBondContact O-CA 3.46Å; A413-L442 PolarHBondContact O-N 2.83Å
414	I	95.1	Very high	82.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141.4	177.9	177	173.5	0	0	0	111.7	L321 L322 V323 V324 M345 L416 L442 V444 I455	L321-I414 HydrophobicContact CD1-CB 4.29Å; L321-I414 HydrophobicContact CD1-CG2 3.96Å; L321-I414 HydrophobicContact CD2-CG2 4.07Å; L321-I414 HydrophobicContact CG-CG2 4.07Å; L322-I414 PolarHBondContact O-N 3.48Å; V323-I414 HydrophobicContact CB-CG2 4.08Å; V323-I414 HydrophobicContact CG1-CG2 4.16Å; V323-I414 HydrophobicContact CG2-CG2 3.77Å; V324-I414 WeakPolarHBondContact CB-O 3.45Å; V324-I414 PolarHBondContact N-O 2.59Å; M345-I414 HydrophobicContact CE-CG2 4.45Å; I414-L416 HydrophobicContact CD1-CD1 4.49Å; I414-L416 HydrophobicContact CD1-CD2 3.63Å; I414-L416 HydrophobicContact CD1-CG 3.91Å; I414-L416 HydrophobicContact CG1-CD2 4.2Å; I414-L416 HydrophobicContact CG1-CG 4.1Å; I414-L442 WeakPolarHBondContact CA-O 3.32Å; I414-L442 HydrophobicContact CB-CD1 3.85Å; I414-L442 HydrophobicContact CB-CG 4.14Å; I414-L442 HydrophobicContact CD1-CD1 3.77Å; I414-L442 HydrophobicContact CG1-CD1 3.54Å; I414-L442 HydrophobicContact CG1-CG 4.34Å; I414-V444 HydrophobicContact CD1-CB 4.28Å; I414-V444 HydrophobicContact CD1-CG2 4.27Å; I414-I455 HydrophobicContact CD1-CB 4.34Å; I414-I455 HydrophobicContact CD1-CD1 3.45Å; I414-I455 VanDerWaalsContact CD1-CD1 3.45Å; I414-I455 HydrophobicContact CD1-CG1 3.41Å; I414-I455 VanDerWaalsContact CD1-CG1 3.41Å; I414-I455 HydrophobicContact CD1-CG2 4.07Å
415	L	92.1	Very high	81.9	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.1	170.3	-173.1	63.7	0	0	0	110.9	V324 W384 V392 F396 L442 A443 V444	V324-L415 HydrophobicContact CB-CD1 4.06Å; V324-L415 HydrophobicContact CG1-CD1 3.82Å; V324-L415 CarbonylContact O-C 3.53Å; V324-L415 WeakPolarHBondContact O-CA 3.23Å; W384-L415 HydrophobicContact CH2-CD1 3.87Å; W384-L415 HydrophobicContact CH2-CD2 3.04Å; W384-L415 HydrophobicContact CH2-CG 3.48Å; W384-L415 VanDerWaalsContact CH2-CG 3.48Å; W384-L415 HydrophobicContact CZ2-CD2 3.59Å; W384-L415 HydrophobicContact CZ2-CG 4.41Å; W384-L415 HydrophobicContact CZ3-CD2 3.6Å; W384-L415 HydrophobicContact CZ3-CG 3.93Å; V392-L415 HydrophobicContact CG1-CD2 4.09Å; F396-L415 HydrophobicContact CB-CD2 3.65Å; F396-L415 HydrophobicContact CD1-CB 3.89Å; F396-L415 HydrophobicContact CD1-CD2 4.25Å; F396-L415 HydrophobicContact CD2-CB 3.83Å; F396-L415 HydrophobicContact CD2-CD1 3.76Å; F396-L415 HydrophobicContact CD2-CD2 3.63Å; F396-L415 HydrophobicContact CD2-CG 3.95Å; F396-L415 HydrophobicContact CE1-CB 3.81Å; F396-L415 HydrophobicContact CE2-CB 3.75Å; F396-L415 HydrophobicContact CE2-CD1 3.79Å; F396-L415 HydrophobicContact CE2-CD2 4.35Å; F396-L415 HydrophobicContact CE2-CG 4.18Å; F396-L415 HydrophobicContact CG-CB 3.91Å; F396-L415 HydrophobicContact CG-CD2 3.57Å; F396-L415 HydrophobicContact CG-CG 4.23Å; F396-L415 HydrophobicContact CZ-CB 3.74Å; L415-L442 PolarHBondContact N-O 2.81Å; L415-A443 HydrophobicContact CB-CB 4.04Å; L415-A443 HydrophobicContact CD2-CB 4.2Å; L415-A443 CarbonylContact O-C 3.13Å; L415-A443 WeakPolarHBondContact O-CA 3.5Å; L415-V444 PolarHBondContact O-N 2.91Å
416	L	92	Very high	82.1	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	130	178.9	-67.4	171.1	0	0	0	110.8	V323 V324 V325 T326 M329 L341 M345 I414 V444 T451 I455	V323-L416 HydrophobicContact CG1-CD1 3.98Å; V324-L416 PolarHBondContact O-N 3.45Å; V325-L416 HydrophobicContact CG2-CD1 4.48Å; T326-L416 PolarHBondContact N-O 3.18Å; T326-L416 VanDerWaalsContact N-O 3.13Å; T326-L416 PolarHBondContact OG1-O 3.49Å; M329-L416 HydrophobicContact CE-CB 4.35Å; M329-L416 HydrophobicContact CE-CD1 4.38Å; M329-L416 HydrophobicContact SD-CB 3.65Å; L341-L416 HydrophobicContact CD2-CD1 3.58Å; M345-L416 HydrophobicContact CE-CD1 4.33Å; I414-L416 HydrophobicContact CD1-CD1 4.49Å; I414-L416 HydrophobicContact CD1-CD2 3.63Å; I414-L416 HydrophobicContact CD1-CG 3.91Å; I414-L416 HydrophobicContact CG1-CD2 4.2Å; I414-L416 HydrophobicContact CG1-CG 4.1Å; L416-V444 WeakPolarHBondContact CA-O 3.47Å; L416-V444 HydrophobicContact CD2-CB 4Å; L416-V444 HydrophobicContact CD2-CG1 3.97Å; L416-T451 HydrophobicContact CD2-CG2 3.92Å; L416-I455 HydrophobicContact CD2-CD1 4.28Å
417	N	86.5	Confident	82.9	Confident	6 Å²	6	34.6 Å²	34.6	3%	0.032	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	155.6	178.4	-165.6	4.9	0	0	0	112	T326 T328 E382 W384 V444 L445 D446	T326-N417 HydrophobicContact CG2-CB 3.78Å; T326-N417 VanDerWaalsContact CG2-CG 3.49Å; T326-N417 WeakPolarHBondContact OG1-CA 3.04Å; T326-N417 PolarHBondContact OG1-OD1 3.47Å; T328-N417 PolarHBondContact OG1-OD1 2.79Å; E382-N417 PolarHBondContact O-ND2 2.75Å; W384-N417 HydrophobicContact CE3-CB 4.2Å; W384-N417 VanDerWaalsContact CE3-ND2 3.29Å; W384-N417 HydrophobicContact CH2-CB 4.44Å; W384-N417 HydrophobicContact CZ3-CB 3.59Å; W384-N417 WeakPolarHBondContact CZ3-ND2 3.29Å; N417-V444 PolarHBondContact N-O 2.89Å; N417-L445 WeakPolarHBondContact O-CA 3.21Å; N417-D446 PolarHBondContact O-N 2.89Å
418	V	82	Confident	83.8	Confident	30 Å²	30	32.1 Å²	32.1	18%	0.182	18%	0.183	C	C	.	.	S	Bend	trans	-100.8	119.8	169.5	177.3	0	0	0	0	108.7	M329 K332 D446 K605	M329-V418 HydrophobicContact CB-CG2 3.98Å; M329-V418 HydrophobicContact CG-CG2 4.03Å; K332-V418 HydrophobicContact CG-CG1 4.38Å; V418-D446 HydrophobicContact CG2-CB 4.39Å; V418-K605 HydrophobicContact CG1-CD 4.11Å; V418-K605 HydrophobicContact CG1-CG 3.86Å; V418-K605 HydrophobicContact CG2-CD 4.41Å
419	G	74.7	Confident	84.2	Confident	33 Å²	33	30.7 Å²	30.7	34%	0.34	18%	0.181	S	C	.	.	S	Bend	trans	157.3	-158	-178.3	0	0	0	0	0	111.6
420	H	71.1	Confident	84.3	Confident	87 Å²	87	33.9 Å²	33.9	40%	0.403	20%	0.195	S	C	.	.			trans	-133.1	142.7	178.8	61.7	-75.8	0	0	0	112.1	S385 N386	S385-H420 WeakPolarHBondContact CA-O 3.47Å; N386-H420 PolarHBondContact OD1-NE2 3.47Å
421	F	73.9	Confident	84.1	Confident	7 Å²	7	38.8 Å²	38.8	3%	0.031	21%	0.214	C	C	.	.			trans	-75.3	171	162.5	-60.2	-39.8	0	0	0	110	Q389 V392 S423 A425 A443 L445	Q389-F421 HydrophobicContact CB-CB 4.39Å; Q389-F421 HydrophobicContact CB-CD1 4.31Å; Q389-F421 HydrophobicContact CB-CD2 3.69Å; Q389-F421 HydrophobicContact CB-CE2 3.97Å; Q389-F421 HydrophobicContact CB-CG 3.89Å; Q389-F421 HydrophobicContact CB-CZ 4.4Å; V392-F421 HydrophobicContact CB-CE1 4.37Å; V392-F421 HydrophobicContact CG1-CE1 4.26Å; V392-F421 HydrophobicContact CG2-CD1 4.2Å; V392-F421 HydrophobicContact CG2-CE1 4.08Å; F421-S423 PolarHBondContact O-N 3.23Å; F421-A425 HydrophobicContact CD2-CB 4.33Å; F421-A425 VanDerWaalsContact CD2-O 3.25Å; F421-A425 WeakPolarHBondContact CD2-O 3.49Å; F421-A443 HydrophobicContact CZ-CB 4.49Å; F421-L445 HydrophobicContact CD1-CD1 4.46Å; F421-L445 HydrophobicContact CD1-CD2 4.12Å; F421-L445 HydrophobicContact CD1-CG 4.49Å; F421-L445 HydrophobicContact CD2-CD1 3.81Å; F421-L445 HydrophobicContact CD2-CG 4.11Å; F421-L445 HydrophobicContact CE1-CD2 3.82Å; F421-L445 HydrophobicContact CE1-CG 4.23Å; F421-L445 HydrophobicContact CE2-CD1 4.05Å; F421-L445 HydrophobicContact CE2-CD2 4.34Å; F421-L445 HydrophobicContact CE2-CG 3.83Å; F421-L445 HydrophobicContact CG-CD1 4.02Å; F421-L445 HydrophobicContact CG-CD2 4.5Å; F421-L445 HydrophobicContact CG-CG 4.43Å; F421-L445 HydrophobicContact CZ-CD1 4.47Å; F421-L445 HydrophobicContact CZ-CD2 3.94Å; F421-L445 HydrophobicContact CZ-CG 3.89Å
422	K	67	Low	83.9	Confident	151 Å²	151	44 Å²	44	66%	0.657	23%	0.233	S	C	*	.	S	Bend	trans	-73	0.3	168.7	-170.6	153.3	-179.5	164.6	0	113.7	N386 S387	N386-K422 VanDerWaalsContact O-CD 3.32Å; N386-K422 WeakPolarHBondContact O-CD 3.38Å; S387-K422 WeakPolarHBondContact O-CB 3.46Å; S387-K422 PolarHBondContact O-N 2.87Å
423	S	68.2	Low	83.7	Confident	41 Å²	41	44.1 Å²	44.1	29%	0.287	23%	0.234	S	C	.	.	S	Bend	trans	-122.6	167.4	174.6	56.5	0	0	0	0	109.4	Q389 F421 A425	Q389-S423 PolarHBondContact NE2-OG 3.04Å; Q389-S423 PolarHBondContact OE1-OG 3.18Å; F421-S423 PolarHBondContact O-N 3.23Å; S423-A425 PolarHBondContact O-N 3.01Å
424	T	71.8	Confident	83.4	Confident	149 Å²	149	44.3 Å²	44.3	91%	0.914	24%	0.235	S	C	*	.	S	Bend	trans	-71.9	-1.4	175.9	45.9	0	0	0	0	114.2
425	A	80.6	Confident	83	Confident	30 Å²	30	46 Å²	46	25%	0.248	25%	0.247	C	C	.	.			trans	-66.2	136.4	-177.8	0	0	0	0	0	111.9	F421 S423	F421-A425 HydrophobicContact CD2-CB 4.33Å; F421-A425 VanDerWaalsContact CD2-O 3.25Å; F421-A425 WeakPolarHBondContact CD2-O 3.49Å; S423-A425 PolarHBondContact O-N 3.01Å
426	L	86.4	Confident	82.8	Confident	38 Å²	38	49.5 Å²	49.5	20%	0.199	27%	0.265	C	S	.	.	S	Bend	trans	-92.1	-23	174.7	-57.1	179.7	0	0	0	112.5	L445 R447 I454 E636	L426-L445 PolarHBondContact O-N 3.36Å; L426-R447 HydrophobicContact CD2-CG 4.28Å; L426-I454 HydrophobicContact CB-CD1 3.89Å; L426-I454 HydrophobicContact CB-CG1 4.43Å; L426-I454 HydrophobicContact CB-CG2 4.26Å; L426-I454 HydrophobicContact CD1-CD1 4.01Å; L426-E636 WeakPolarHBondContact CD1-OE2 3.13Å
427	G	88.5	Confident	82.4	Confident	8 Å²	8	58.3 Å²	58.3	8%	0.082	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	174.2	173.9	0	0	0	0	0	111.8	A443 E458	G427-A443 CarbonylContact C-O 3.57Å; G427-A443 VanDerWaalsContact CA-O 3.26Å; G427-A443 WeakPolarHBondContact CA-O 3.38Å; G427-E458 WeakPolarHBondContact CA-OE1 3.47Å
428	V	90.1	Very high	82.1	Confident	27 Å²	27	65.6 Å²	65.6	16%	0.164	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	134.6	165.8	74.3	0	0	0	0	111.4	Q389 M393 L442 A443 E458	Q389-V428 HydrophobicContact CB-CB 4.25Å; Q389-V428 HydrophobicContact CB-CG1 4.03Å; Q389-V428 HydrophobicContact CG-CB 4.08Å; Q389-V428 HydrophobicContact CG-CG1 4.32Å; Q389-V428 HydrophobicContact CG-CG2 3.94Å; M393-V428 HydrophobicContact CB-CG1 4.09Å; M393-V428 HydrophobicContact CE-CB 4.47Å; M393-V428 HydrophobicContact CE-CG1 4.05Å; M393-V428 HydrophobicContact CE-CG2 3.93Å; M393-V428 HydrophobicContact SD-CG1 4.14Å; V428-L442 CarbonylContact O-C 3.58Å; V428-L442 VanDerWaalsContact O-CA 3.25Å; V428-L442 WeakPolarHBondContact O-CA 3.03Å; V428-L442 WeakPolarHBondContact O-CB 3.01Å; V428-A443 HydrophobicContact CG1-CB 4.36Å; V428-A443 PolarHBondContact N-O 3.05Å; V428-A443 PolarHBondContact O-N 2.71Å; V428-E458 WeakPolarHBondContact CA-OE2 3.04Å; V428-E458 VanDerWaalsContact N-CD 3.34Å; V428-E458 PolarHBondContact N-OE1 3.03Å
429	A	91.7	Very high	82.3	Confident	18 Å²	18	65.2 Å²	65.2	15%	0.149	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	172.6	173.6	0	0	0	0	0	112	M393 L442 E458 H461 Q462	M393-A429 VanDerWaalsContact CE-C 3.48Å; A429-L442 HydrophobicContact CB-CB 3.77Å; A429-E458 HydrophobicContact CB-CB 4Å; A429-E458 WeakPolarHBondContact CB-O 3.43Å; A429-E458 WeakPolarHBondContact CB-OE2 3Å; A429-E458 PolarHBondContact N-OE2 3.04Å; A429-H461 HydrophobicContact CB-CB 4.25Å; A429-Q462 HydrophobicContact CB-CG 3.98Å
430	H	88.5	Confident	83	Confident	79 Å²	79	63.8 Å²	63.8	37%	0.366	32%	0.316	S	S	.	.			trans	-95.8	129.9	169.3	-75.1	-67.5	0	0	0	111	S433	H430-S433 WeakPolarHBondContact CB-OG 3.29Å; H430-S433 PolarHBondContact O-N 3.22Å; H430-S433 PolarHBondContact O-OG 3.24Å
431	Y	86.9	Confident	84.1	Confident	105 Å²	105	59.7 Å²	59.7	41%	0.412	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	132.2	177.1	173.4	-103.6	0	0	0	112.4	S433 H461 G464 A465 K466	Y431-S433 PolarHBondContact O-N 3.27Å; Y431-H461 CarbonylContact C-O 3.6Å; Y431-H461 WeakPolarHBondContact CA-O 3.49Å; Y431-G464 WeakPolarHBondContact CE2-O 3.44Å; Y431-A465 VanDerWaalsContact CD2-O 3.24Å; Y431-A465 WeakPolarHBondContact CD2-O 3.41Å; Y431-A465 WeakPolarHBondContact CE2-O 3.07Å; Y431-K466 HydrophobicContact CD2-CG 4.48Å; Y431-K466 HydrophobicContact CE2-CG 3.63Å
432	R	87.6	Confident	85	Confident	112 Å²	112	59.3 Å²	59.3	42%	0.423	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	31.7	-177.6	-69.1	-175	178.9	-161.6	-3.5	114.4	H461 Q462 F557	R432-H461 PolarHBondContact N-O 2.02Å; R432-Q462 CarbonylContact C-O 3.56Å; R432-Q462 WeakPolarHBondContact CA-O 3.44Å; R432-F557 HydrophobicContact CB-CD2 4.32Å; R432-F557 HydrophobicContact CB-CE2 4.14Å; R432-F557 HydrophobicContact CG-CD2 4.05Å; R432-F557 HydrophobicContact CG-CE2 4.37Å
433	S	87.9	Confident	86.2	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.021	27%	0.265	C	S	.	.			trans	-96.5	0.3	-179.6	76.2	0	0	0	0	115.4	H430 Y431 C435 N436 S439 S440 Q462	H430-S433 WeakPolarHBondContact CB-OG 3.29Å; H430-S433 PolarHBondContact O-N 3.22Å; H430-S433 PolarHBondContact O-OG 3.24Å; Y431-S433 PolarHBondContact O-N 3.27Å; S433-C435 PolarHBondContact O-N 3.16Å; S433-N436 WeakPolarHBondContact O-CA 3.09Å; S433-N436 WeakPolarHBondContact O-CB 3.23Å; S433-N436 PolarHBondContact O-N 3.5Å; S433-S439 WeakPolarHBondContact CB-O 3.36Å; S433-S439 PolarHBondContact OG-O 2.86Å; S433-S440 WeakPolarHBondContact O-CB 3.37Å; S433-S440 PolarHBondContact O-OG 2.99Å; S433-Q462 PolarHBondContact N-O 2.89Å
434	M	88.7	Confident	87.3	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.02	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	140.6	173.3	-171.6	59.6	72.8	0	0	110	V319 D411 N436 L459 Q462 L463 F557 L566	V319-M434 HydrophobicContact CG1-CE 3.97Å; V319-M434 HydrophobicContact CG1-SD 4.43Å; V319-M434 HydrophobicContact CG2-CE 4.31Å; D411-M434 HydrophobicContact CB-SD 3.93Å; M434-N436 PolarHBondContact O-N 2.82Å; M434-N436 VanDerWaalsContact O-N 3.11Å; M434-L459 HydrophobicContact CE-CD2 4Å; M434-Q462 HydrophobicContact CB-CB 4.16Å; M434-Q462 VanDerWaalsContact CB-O 3.3Å; M434-Q462 WeakPolarHBondContact CB-O 3.34Å; M434-Q462 HydrophobicContact CE-CB 4.07Å; M434-Q462 PolarHBondContact N-O 3.05Å; M434-Q462 VanDerWaalsContact N-O 3.08Å; M434-L463 HydrophobicContact CB-CD2 4.41Å; M434-L463 HydrophobicContact CE-CD2 4.38Å; M434-L463 HydrophobicContact CE-CG 4.37Å; M434-L463 HydrophobicContact CG-CD2 4.1Å; M434-F557 HydrophobicContact CB-CE1 3.82Å; M434-F557 HydrophobicContact CB-CZ 3.87Å; M434-F557 HydrophobicContact CG-CE1 4.39Å; M434-L566 HydrophobicContact CG-CD1 4.05Å; M434-L566 HydrophobicContact CG-CD2 3.84Å; M434-L566 HydrophobicContact CG-CG 4.21Å; M434-L566 HydrophobicContact SD-CD2 3.98Å
435	C	87.6	Confident	88.1	Confident	36 Å²	36	43.5 Å²	43.5	24%	0.243	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	-6.9	-168.5	-46.1	0	0	0	0	116.8	S433 R437 G562 C565	S433-C435 PolarHBondContact O-N 3.16Å; C435-R437 PolarHBondContact O-N 2.81Å; C435-G562 VanDerWaalsContact CB-O 3.26Å; C435-G562 WeakPolarHBondContact CB-O 3.19Å; C435-G562 PolarHBondContact SG-O 3.26Å; C435-C565 WeakPolarHBondContact CA-SG 3.47Å; C435-C565 HydrophobicContact CB-CB 3.7Å; C435-C565 WeakPolarHBondContact CB-SG 3.42Å; C435-C565 WeakPolarHBondContact SG-CB 3.33Å; C435-C565 PolarHBondContact SG-N 2.78Å; C435-C565 CovalentContact SG-SG 2.02Å; C435-C565 PolarHBondContact SG-SG 2.83Å
436	N	87.4	Confident	88.5	Confident	74 Å²	74	42.3 Å²	42.3	40%	0.396	20%	0.199	S	C	.	.			trans	-80.4	109.9	179	-174	-52.8	0	0	0	111.1	S433 M434 E438 S439 S440	S433-N436 WeakPolarHBondContact O-CA 3.09Å; S433-N436 WeakPolarHBondContact O-CB 3.23Å; S433-N436 PolarHBondContact O-N 3.5Å; M434-N436 PolarHBondContact O-N 2.82Å; M434-N436 VanDerWaalsContact O-N 3.11Å; N436-E438 PolarHBondContact O-N 3.13Å; N436-E438 PolarHBondContact OD1-N 2.82Å; N436-S439 PolarHBondContact ND2-OG 2.84Å; N436-S439 PolarHBondContact O-N 2.8Å; N436-S439 VanDerWaalsContact O-N 3.08Å; N436-S439 PolarHBondContact OD1-N 2.93Å; N436-S439 PolarHBondContact OD1-OG 3.43Å; N436-S440 WeakPolarHBondContact O-CB 3.35Å; N436-S440 PolarHBondContact O-N 3.03Å
437	R	82.3	Confident	88.6	Confident	186 Å²	186	43.9 Å²	43.9	70%	0.702	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-17	-175.2	-69.3	-173.7	178.7	-169.2	-0.2	116.4	N401 C435	N401-R437 PolarHBondContact ND2-O 2.95Å; N401-R437 PolarHBondContact OD1-O 2.65Å; C435-R437 PolarHBondContact O-N 2.81Å
438	E	81.1	Confident	88.5	Confident	160 Å²	160	43.5 Å²	43.5	75%	0.748	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-21.5	178.1	-61.7	-162.3	150.7	0	0	113.6	N401 N436	N401-E438 PolarHBondContact ND2-O 3.15Å; N436-E438 PolarHBondContact O-N 3.13Å; N436-E438 PolarHBondContact OD1-N 2.82Å
439	S	86.2	Confident	88.4	Confident	21 Å²	21	42.8 Å²	42.8	15%	0.147	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134	2.1	-168.5	47.9	0	0	0	0	115.4	S433 N436 C441	S433-S439 WeakPolarHBondContact CB-O 3.36Å; S433-S439 PolarHBondContact OG-O 2.86Å; N436-S439 PolarHBondContact ND2-OG 2.84Å; N436-S439 PolarHBondContact O-N 2.8Å; N436-S439 VanDerWaalsContact O-N 3.08Å; N436-S439 PolarHBondContact OD1-N 2.93Å; N436-S439 PolarHBondContact OD1-OG 3.43Å; S439-C441 PolarHBondContact O-N 2.03Å
440	S	90.2	Very high	88.1	Confident	4 Å²	4	41.9 Å²	41.9	3%	0.028	19%	0.186	C	C	.	.			trans	-78.8	72	170.2	-156.2	0	0	0	0	110.6	D411 S412 A413 S433 N436	D411-S440 WeakPolarHBondContact O-CB 3.5Å; D411-S440 PolarHBondContact O-OG 2.91Å; S412-S440 WeakPolarHBondContact CA-O 3.36Å; S412-S440 WeakPolarHBondContact CB-OG 3.32Å; A413-S440 PolarHBondContact N-O 3.22Å; S433-S440 WeakPolarHBondContact O-CB 3.37Å; S433-S440 PolarHBondContact O-OG 2.99Å; N436-S440 WeakPolarHBondContact O-CB 3.35Å; N436-S440 PolarHBondContact O-N 3.03Å
441	C	92.8	Very high	88.3	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	148.9	-175	37.2	0	0	0	0	108.2	M393 F396 C397 A413 S439 Q462	M393-C441 VanDerWaalsContact SD-O 3.36Å; F396-C441 HydrophobicContact CD1-CB 4.14Å; F396-C441 HydrophobicContact CE1-CB 4.06Å; C397-C441 HydrophobicContact CB-CB 4.05Å; C397-C441 WeakPolarHBondContact CB-SG 3.28Å; C397-C441 WeakPolarHBondContact SG-CB 3.3Å; C397-C441 CovalentContact SG-SG 2.02Å; C397-C441 PolarHBondContact SG-SG 2.79Å; A413-C441 CarbonylContact O-C 3.54Å; A413-C441 VanDerWaalsContact O-CA 3.26Å; A413-C441 WeakPolarHBondContact O-CA 3.46Å; S439-C441 PolarHBondContact O-N 2.03Å; C441-Q462 VanDerWaalsContact C-NE2 3.26Å; C441-Q462 VanDerWaalsContact N-NE2 3.14Å; C441-Q462 PolarHBondContact O-NE2 2.79Å
442	L	94	Very high	88.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	158.2	179.4	68	97.1	0	0	0	111	F396 A413 I414 L415 V428 A429 V444 E458 L459	F396-L442 WeakPolarHBondContact CE1-O 3.48Å; A413-L442 PolarHBondContact O-N 2.83Å; I414-L442 WeakPolarHBondContact CA-O 3.32Å; I414-L442 HydrophobicContact CB-CD1 3.85Å; I414-L442 HydrophobicContact CB-CG 4.14Å; I414-L442 HydrophobicContact CD1-CD1 3.77Å; I414-L442 HydrophobicContact CG1-CD1 3.54Å; I414-L442 HydrophobicContact CG1-CG 4.34Å; L415-L442 PolarHBondContact N-O 2.81Å; V428-L442 CarbonylContact O-C 3.58Å; V428-L442 VanDerWaalsContact O-CA 3.25Å; V428-L442 WeakPolarHBondContact O-CA 3.03Å; V428-L442 WeakPolarHBondContact O-CB 3.01Å; A429-L442 HydrophobicContact CB-CB 3.77Å; L442-V444 HydrophobicContact CD1-CG2 3.69Å; L442-E458 HydrophobicContact CB-CB 4.27Å; L442-E458 HydrophobicContact CD1-CB 3.83Å; L442-E458 HydrophobicContact CD1-CG 4.25Å; L442-E458 HydrophobicContact CD2-CB 4.01Å; L442-E458 HydrophobicContact CG-CB 4.27Å; L442-L459 HydrophobicContact CD2-CD2 3.75Å; L442-L459 HydrophobicContact CD2-CG 4.13Å
443	A	90.7	Very high	88.7	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.008	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135	177.8	0	0	0	0	0	111	V392 L415 F421 G427 V428	V392-A443 HydrophobicContact CG1-CB 4.15Å; L415-A443 HydrophobicContact CB-CB 4.04Å; L415-A443 HydrophobicContact CD2-CB 4.2Å; L415-A443 CarbonylContact O-C 3.13Å; L415-A443 WeakPolarHBondContact O-CA 3.5Å; F421-A443 HydrophobicContact CZ-CB 4.49Å; G427-A443 CarbonylContact C-O 3.57Å; G427-A443 VanDerWaalsContact CA-O 3.26Å; G427-A443 WeakPolarHBondContact CA-O 3.38Å; V428-A443 HydrophobicContact CG1-CB 4.36Å; V428-A443 PolarHBondContact N-O 3.05Å; V428-A443 PolarHBondContact O-N 2.71Å
444	V	92.3	Very high	88.9	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.2	-171.8	167.3	0	0	0	0	110.6	I414 L415 L416 N417 L442 T451 I454 I455 E458	I414-V444 HydrophobicContact CD1-CB 4.28Å; I414-V444 HydrophobicContact CD1-CG2 4.27Å; L415-V444 PolarHBondContact O-N 2.91Å; L416-V444 WeakPolarHBondContact CA-O 3.47Å; L416-V444 HydrophobicContact CD2-CB 4Å; L416-V444 HydrophobicContact CD2-CG1 3.97Å; N417-V444 PolarHBondContact N-O 2.89Å; L442-V444 HydrophobicContact CD1-CG2 3.69Å; V444-T451 HydrophobicContact CG1-CG2 4.06Å; V444-I454 HydrophobicContact CG1-CB 4.18Å; V444-I454 HydrophobicContact CG1-CG2 3.79Å; V444-I454 HydrophobicContact CG2-CG2 3.97Å; V444-I455 HydrophobicContact CG1-CG1 4.4Å; V444-I455 HydrophobicContact CG2-CG1 4.4Å; V444-E458 HydrophobicContact CG2-CG 3.86Å
445	L	88.5	Confident	89.2	Confident	5 Å²	5	28.2 Å²	28.2	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.5	170.3	-59.3	177.6	0	0	0	109.4	N417 F421 L426	N417-L445 WeakPolarHBondContact O-CA 3.21Å; F421-L445 HydrophobicContact CD1-CD1 4.46Å; F421-L445 HydrophobicContact CD1-CD2 4.12Å; F421-L445 HydrophobicContact CD1-CG 4.49Å; F421-L445 HydrophobicContact CD2-CD1 3.81Å; F421-L445 HydrophobicContact CD2-CG 4.11Å; F421-L445 HydrophobicContact CE1-CD2 3.82Å; F421-L445 HydrophobicContact CE1-CG 4.23Å; F421-L445 HydrophobicContact CE2-CD1 4.05Å; F421-L445 HydrophobicContact CE2-CD2 4.34Å; F421-L445 HydrophobicContact CE2-CG 3.83Å; F421-L445 HydrophobicContact CG-CD1 4.02Å; F421-L445 HydrophobicContact CG-CD2 4.5Å; F421-L445 HydrophobicContact CG-CG 4.43Å; F421-L445 HydrophobicContact CZ-CD1 4.47Å; F421-L445 HydrophobicContact CZ-CD2 3.94Å; F421-L445 HydrophobicContact CZ-CG 3.89Å; L426-L445 PolarHBondContact O-N 3.36Å
446	D	89.7	Confident	89.5	Confident	6 Å²	6	26.5 Å²	26.5	3%	0.032	12%	0.118	C	C	.	.			trans	-83.4	125	-173.7	-175.4	79.4	0	0	0	113.2	M329 F333 Y340 N417 V418 G448 T451 K605	M329-D446 HydrophobicContact CE-CB 4.02Å; M329-D446 HydrophobicContact SD-CB 4.19Å; F333-D446 WeakPolarHBondContact CE2-OD2 3.18Å; F333-D446 VanDerWaalsContact CZ-OD2 3.23Å; F333-D446 WeakPolarHBondContact CZ-OD2 3.28Å; Y340-D446 WeakPolarHBondContact CE1-OD1 3.12Å; Y340-D446 PolarHBondContact OH-OD1 2.81Å; Y340-D446 PolarHBondContact OH-OD2 2.98Å; N417-D446 PolarHBondContact O-N 2.89Å; V418-D446 HydrophobicContact CG2-CB 4.39Å; D446-G448 PolarHBondContact OD2-N 3.34Å; D446-T451 WeakPolarHBondContact CA-OG1 3.46Å; D446-T451 WeakPolarHBondContact OD1-CB 3.39Å; D446-T451 WeakPolarHBondContact OD1-CG2 3.11Å; D446-T451 PolarHBondContact OD1-OG1 2.9Å; D446-K605 IonicContact OD2-NZ 2.7Å; D446-K605 PolarHBondContact OD2-NZ 2.96Å
447	R	88.5	Confident	89.8	Confident	71 Å²	71	23.7 Å²	23.7	27%	0.268	10%	0.103	S	C	.	.			trans	-124.3	33.3	-174.6	-65.2	-68.2	175.8	117.2	-7	112.9	L426 T451 I454 E636	L426-R447 HydrophobicContact CD2-CG 4.28Å; R447-T451 PolarHBondContact N-OG1 3.44Å; R447-I454 HydrophobicContact CB-CD1 4.25Å; R447-I454 HydrophobicContact CG-CD1 4.19Å; R447-E636 VanDerWaalsContact CD-OE2 3.28Å; R447-E636 WeakPolarHBondContact CD-OE2 3.25Å; R447-E636 WeakPolarHBondContact CG-OE2 3.45Å; R447-E636 IonicContact CZ-OE2 2.67Å; R447-E636 IonicContact NE-OE2 3.59Å; R447-E636 IonicContact NH1-OE1 3.05Å; R447-E636 PolarHBondContact NH1-OE1 2.82Å; R447-E636 IonicContact NH1-OE2 3.51Å; R447-E636 PolarHBondContact NH1-OE2 2.58Å
448	G	86.7	Confident	90.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	70.7	-150.2	-174.1	0	0	0	0	0	111.4	Y340 D446 G450 T451	Y340-G448 WeakPolarHBondContact OH-CA 3.38Å; Y340-G448 PolarHBondContact OH-N 2.83Å; Y340-G448 PolarHBondContact OH-O 3.31Å; D446-G448 PolarHBondContact OD2-N 3.34Å; G448-G450 PolarHBondContact O-N 3.39Å; G448-T451 VanDerWaalsContact O-CB 3.24Å; G448-T451 WeakPolarHBondContact O-CB 3.32Å; G448-T451 PolarHBondContact O-N 2.61Å; G448-T451 PolarHBondContact O-OG1 2.99Å
449	F	86.3	Confident	91	Very high	11 Å²	11	7.8 Å²	7.8	5%	0.048	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-63.4	-12.2	-175.5	-61.5	-77.6	0	0	0	114.3	Y340 T451 P590 F594 Q599 F602 A640	Y340-F449 AromaticContact CD2-CE1 3.85Å; Y340-F449 HydrophobicContact CD2-CE1 3.85Å; Y340-F449 AromaticContact CD2-CZ 3.77Å; Y340-F449 HydrophobicContact CD2-CZ 3.77Å; Y340-F449 HydrophobicContact CE2-CD1 4.37Å; Y340-F449 HydrophobicContact CE2-CE1 4.01Å; Y340-F449 HydrophobicContact CE2-CE2 4.4Å; Y340-F449 AromaticContact CE2-CZ 4Å; Y340-F449 HydrophobicContact CE2-CZ 4Å; F449-T451 VanDerWaalsContact C-N 3.27Å; F449-T451 PolarHBondContact O-N 3.18Å; F449-P590 HydrophobicContact CD1-CB 4.43Å; F449-P590 HydrophobicContact CE1-CB 4.01Å; F449-F594 AromaticContact CE1-CD2 3.89Å; F449-F594 HydrophobicContact CE1-CD2 3.89Å; F449-F594 HydrophobicContact CE1-CE2 4.17Å; F449-F594 HydrophobicContact CE2-CB 4.27Å; F449-F594 HydrophobicContact CE2-CD2 4.26Å; F449-F594 HydrophobicContact CE2-CG 4.42Å; F449-F594 HydrophobicContact CZ-CB 4.12Å; F449-F594 AromaticContact CZ-CD2 3.31Å; F449-F594 HydrophobicContact CZ-CD2 3.31Å; F449-F594 AromaticContact CZ-CE2 3.86Å; F449-F594 HydrophobicContact CZ-CE2 3.86Å; F449-F594 AromaticContact CZ-CG 3.82Å; F449-F594 HydrophobicContact CZ-CG 3.82Å; F449-Q599 HydrophobicContact CD2-CG 4.05Å; F449-Q599 HydrophobicContact CE2-CB 4.45Å; F449-Q599 HydrophobicContact CE2-CG 3.83Å; F449-F602 HydrophobicContact CE2-CD2 4.15Å; F449-F602 HydrophobicContact CZ-CD2 4.23Å; F449-A640 HydrophobicContact CD1-CB 4.41Å; F449-A640 HydrophobicContact CD2-CB 4.15Å; F449-A640 HydrophobicContact CG-CB 4.13Å
450	G	86.4	Confident	91.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.03	C	C	.	.	G	3₁₀ helix	trans	-60.9	-30.3	165.9	0	0	0	0	0	113.7	G448 G452 H453 I454 T637	G448-G450 PolarHBondContact O-N 3.39Å; G450-G452 PolarHBondContact O-N 2.67Å; G450-G452 VanDerWaalsContact O-N 3.09Å; G450-H453 WeakPolarHBondContact O-CB 3.38Å; G450-H453 PolarHBondContact O-N 3.38Å; G450-I454 PolarHBondContact O-N 2.93Å; G450-T637 PolarHBondContact N-OG1 2.98Å
451	T	91.8	Very high	91.4	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-50.8	-37.5	179.4	-60.6	0	0	0	0	112.7	T344 L416 V444 D446 R447 G448 F449 H453 I454 I455	T344-T451 HydrophobicContact CG2-CG2 3.83Å; L416-T451 HydrophobicContact CD2-CG2 3.92Å; V444-T451 HydrophobicContact CG1-CG2 4.06Å; D446-T451 WeakPolarHBondContact CA-OG1 3.46Å; D446-T451 WeakPolarHBondContact OD1-CB 3.39Å; D446-T451 WeakPolarHBondContact OD1-CG2 3.11Å; D446-T451 PolarHBondContact OD1-OG1 2.9Å; R447-T451 PolarHBondContact N-OG1 3.44Å; G448-T451 VanDerWaalsContact O-CB 3.24Å; G448-T451 WeakPolarHBondContact O-CB 3.32Å; G448-T451 PolarHBondContact O-N 2.61Å; G448-T451 PolarHBondContact O-OG1 2.99Å; F449-T451 VanDerWaalsContact C-N 3.27Å; F449-T451 PolarHBondContact O-N 3.18Å; T451-H453 PolarHBondContact O-N 2.03Å; T451-I454 PolarHBondContact O-N 2.85Å; T451-I455 HydrophobicContact CG2-CD1 3.9Å; T451-I455 HydrophobicContact CG2-CG1 4.2Å; T451-I455 VanDerWaalsContact O-CG1 3.3Å; T451-I455 WeakPolarHBondContact O-CG1 3.28Å; T451-I455 PolarHBondContact O-N 3.15Å
452	G	91.1	Very high	91.4	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-61.6	-29	178.7	0	0	0	0	0	114	V348 G450 A456	V348-G452 WeakPolarHBondContact CG2-O 3.09Å; G450-G452 PolarHBondContact O-N 2.67Å; G450-G452 VanDerWaalsContact O-N 3.09Å; G452-A456 PolarHBondContact O-N 2.64Å
453	H	91.8	Very high	91.3	Very high	9 Å²	9	7.8 Å²	7.8	4%	0.042	3%	0.034	C	C	.	.	H	α-helix	trans	-79.8	-39.3	177.1	-56.9	82.9	0	0	0	111.3	L351 G450 T451 I455 A456 H457 L537 F539 F542	L351-H453 HydrophobicContact CD1-CB 4.49Å; G450-H453 WeakPolarHBondContact O-CB 3.38Å; G450-H453 PolarHBondContact O-N 3.38Å; T451-H453 PolarHBondContact O-N 2.03Å; H453-I455 VanDerWaalsContact C-N 3.34Å; H453-I455 PolarHBondContact O-N 2.9Å; H453-A456 PolarHBondContact O-N 2.71Å; H453-H457 PolarHBondContact O-N 2.65Å; H453-L537 HydrophobicContact CB-CD1 4.08Å; H453-F539 HydrophobicContact CB-CE1 4.34Å; H453-F539 HydrophobicContact CB-CZ 4.01Å; H453-F539 AromaticContact CE1-CE1 3.99Å; H453-F539 AromaticContact CG-CE1 3.83Å; H453-F539 AromaticContact CG-CZ 3.99Å; H453-F539 AromaticContact ND1-CE1 3.6Å; H453-F539 AromaticContact ND1-CZ 3.93Å; H453-F542 AromaticContact NE2-CE2 3.39Å; H453-F542 WeakPolarHBondContact NE2-CE2 3.21Å
454	I	92.5	Very high	91.1	Very high	6 Å²	6	7.8 Å²	7.8	3%	0.031	3%	0.034	C	C	.	.	H	α-helix	trans	-61.8	-43.9	175	-54.1	165.4	0	0	0	109.8	L426 V444 R447 G450 T451 A456 H457 E458 L537	L426-I454 HydrophobicContact CB-CD1 3.89Å; L426-I454 HydrophobicContact CB-CG1 4.43Å; L426-I454 HydrophobicContact CB-CG2 4.26Å; L426-I454 HydrophobicContact CD1-CD1 4.01Å; V444-I454 HydrophobicContact CG1-CB 4.18Å; V444-I454 HydrophobicContact CG1-CG2 3.79Å; V444-I454 HydrophobicContact CG2-CG2 3.97Å; R447-I454 HydrophobicContact CB-CD1 4.25Å; R447-I454 HydrophobicContact CG-CD1 4.19Å; G450-I454 PolarHBondContact O-N 2.93Å; T451-I454 PolarHBondContact O-N 2.85Å; I454-A456 VanDerWaalsContact C-N 3.34Å; I454-A456 PolarHBondContact O-N 3.32Å; I454-H457 WeakPolarHBondContact O-CB 3.18Å; I454-H457 PolarHBondContact O-N 2.87Å; I454-E458 WeakPolarHBondContact O-CG 3.21Å; I454-E458 PolarHBondContact O-N 3Å; I454-L537 HydrophobicContact CG1-CD1 3.77Å
455	I	95	Very high	90.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-62.8	-40.1	176	-60.2	173.5	0	0	0	111.6	T344 M345 V348 I414 L416 V444 T451 H453 E458 L459	T344-I455 HydrophobicContact CG2-CD1 3.85Å; M345-I455 HydrophobicContact CE-CD1 3.76Å; V348-I455 HydrophobicContact CB-CG2 4.49Å; V348-I455 HydrophobicContact CG1-CG2 3.96Å; V348-I455 HydrophobicContact CG2-CB 3.66Å; V348-I455 HydrophobicContact CG2-CD1 4.15Å; V348-I455 HydrophobicContact CG2-CG1 4.49Å; V348-I455 HydrophobicContact CG2-CG2 3.64Å; I414-I455 HydrophobicContact CD1-CB 4.34Å; I414-I455 HydrophobicContact CD1-CD1 3.45Å; I414-I455 VanDerWaalsContact CD1-CD1 3.45Å; I414-I455 HydrophobicContact CD1-CG1 3.41Å; I414-I455 VanDerWaalsContact CD1-CG1 3.41Å; I414-I455 HydrophobicContact CD1-CG2 4.07Å; L416-I455 HydrophobicContact CD2-CD1 4.28Å; V444-I455 HydrophobicContact CG1-CG1 4.4Å; V444-I455 HydrophobicContact CG2-CG1 4.4Å; T451-I455 HydrophobicContact CG2-CD1 3.9Å; T451-I455 HydrophobicContact CG2-CG1 4.2Å; T451-I455 VanDerWaalsContact O-CG1 3.3Å; T451-I455 WeakPolarHBondContact O-CG1 3.28Å; T451-I455 PolarHBondContact O-N 3.15Å; H453-I455 VanDerWaalsContact C-N 3.34Å; H453-I455 PolarHBondContact O-N 2.9Å; I455-E458 PolarHBondContact O-N 3.33Å; I455-L459 HydrophobicContact CG2-CD1 3.9Å; I455-L459 HydrophobicContact CG2-CG 4.31Å; I455-L459 WeakPolarHBondContact O-CB 3.42Å; I455-L459 VanDerWaalsContact O-CG 3.31Å; I455-L459 WeakPolarHBondContact O-CG 3.39Å; I455-L459 PolarHBondContact O-N 2.83Å
456	A	93.9	Very high	90.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.8	-40	176.2	0	0	0	0	0	112.1	L351 G452 H453 I454 G460 I532 W546	L351-A456 HydrophobicContact CB-CB 4.01Å; L351-A456 HydrophobicContact CD1-CB 3.67Å; G452-A456 PolarHBondContact O-N 2.64Å; H453-A456 PolarHBondContact O-N 2.71Å; I454-A456 VanDerWaalsContact C-N 3.34Å; I454-A456 PolarHBondContact O-N 3.32Å; A456-G460 PolarHBondContact O-N 3.06Å; A456-I532 HydrophobicContact CB-CG2 4.06Å; A456-W546 HydrophobicContact CB-CZ2 4.47Å; A456-W546 WeakPolarHBondContact O-CH2 3.33Å
457	H	93.5	Very high	90.3	Very high	16 Å²	16	12.6 Å²	12.6	7%	0.074	5%	0.054	C	C	.	.	H	α-helix	trans	-59.9	-51	173.3	-179.4	106.1	0	0	0	111.9	H453 I454 L459 G460 H461 H467 I532 M533 S534	H453-H457 PolarHBondContact O-N 2.65Å; I454-H457 WeakPolarHBondContact O-CB 3.18Å; I454-H457 PolarHBondContact O-N 2.87Å; H457-L459 PolarHBondContact O-N 3.12Å; H457-G460 WeakPolarHBondContact O-CA 3.42Å; H457-G460 PolarHBondContact O-N 3.43Å; H457-H461 AromaticContact CD2-CD2 3.58Å; H457-H461 AromaticContact CD2-NE2 3.52Å; H457-H461 AromaticContact CE1-NE2 3.88Å; H457-H461 AromaticContact NE2-CD2 3.59Å; H457-H461 AromaticContact NE2-NE2 3Å; H457-H461 PolarHBondContact NE2-NE2 2.98Å; H457-H461 PolarHBondContact O-N 2.59Å; H457-H461 VanDerWaalsContact O-N 3.08Å; H457-H467 AromaticContact CE1-CD2 3.61Å; H457-H467 AromaticContact CE1-NE2 3.81Å; H457-H467 AromaticContact NE2-CD2 3.7Å; H457-H467 AromaticContact NE2-NE2 3.46Å; H457-H467 PolarHBondContact NE2-NE2 2.94Å; H457-I532 HydrophobicContact CB-CG2 4.38Å; H457-I532 PolarHBondContact ND1-O 2.59Å; H457-M533 HydrophobicContact CB-SD 4.44Å; H457-S534 PolarHBondContact CE1-O 3.26Å; H457-S534 VanDerWaalsContact CE1-O 3.23Å
458	E	94.9	Very high	89.6	Confident	12 Å²	12	9.3 Å²	9.3	6%	0.056	4%	0.042	C	C	.	.	H	α-helix	trans	-64.4	-37.1	179.7	-64.9	-47.7	152.9	0	0	113.1	G427 V428 A429 L442 V444 I454 I455 G460 H461 Q462	G427-E458 WeakPolarHBondContact CA-OE1 3.47Å; V428-E458 WeakPolarHBondContact CA-OE2 3.04Å; V428-E458 VanDerWaalsContact N-CD 3.34Å; V428-E458 PolarHBondContact N-OE1 3.03Å; A429-E458 HydrophobicContact CB-CB 4Å; A429-E458 WeakPolarHBondContact CB-O 3.43Å; A429-E458 WeakPolarHBondContact CB-OE2 3Å; A429-E458 PolarHBondContact N-OE2 3.04Å; L442-E458 HydrophobicContact CB-CB 4.27Å; L442-E458 HydrophobicContact CD1-CB 3.83Å; L442-E458 HydrophobicContact CD1-CG 4.25Å; L442-E458 HydrophobicContact CD2-CB 4.01Å; L442-E458 HydrophobicContact CG-CB 4.27Å; V444-E458 HydrophobicContact CG2-CG 3.86Å; I454-E458 WeakPolarHBondContact O-CG 3.21Å; I454-E458 PolarHBondContact O-N 3Å; I455-E458 PolarHBondContact O-N 3.33Å; E458-G460 VanDerWaalsContact C-N 3.31Å; E458-H461 PolarHBondContact O-N 3.4Å; E458-H461 IonicContact OE2-CD2 3.28Å; E458-Q462 PolarHBondContact O-N 2.99Å
459	L	95.4	Very high	88.6	Confident	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-67.5	-32.2	171.2	-70.5	173.5	0	0	0	111.9	V348 L352 M434 L442 I455 H457 Q462 L463	V348-L459 HydrophobicContact CG1-CD1 3.76Å; L352-L459 HydrophobicContact CD1-CD1 4.12Å; M434-L459 HydrophobicContact CE-CD2 4Å; L442-L459 HydrophobicContact CD2-CD2 3.75Å; L442-L459 HydrophobicContact CD2-CG 4.13Å; I455-L459 HydrophobicContact CG2-CD1 3.9Å; I455-L459 HydrophobicContact CG2-CG 4.31Å; I455-L459 WeakPolarHBondContact O-CB 3.42Å; I455-L459 VanDerWaalsContact O-CG 3.31Å; I455-L459 WeakPolarHBondContact O-CG 3.39Å; I455-L459 PolarHBondContact O-N 2.83Å; H457-L459 PolarHBondContact O-N 3.12Å; L459-Q462 PolarHBondContact O-N 3.1Å; L459-L463 WeakPolarHBondContact O-CB 3.48Å; L459-L463 VanDerWaalsContact O-CG 3.27Å; L459-L463 WeakPolarHBondContact O-CG 3.2Å; L459-L463 PolarHBondContact O-N 2.76Å
460	G	92.7	Very high	87.2	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.1	-44.7	172.6	0	0	0	0	0	112.8	A456 H457 E458 Q462 L463 G464 A465	A456-G460 PolarHBondContact O-N 3.06Å; H457-G460 WeakPolarHBondContact O-CA 3.42Å; H457-G460 PolarHBondContact O-N 3.43Å; E458-G460 VanDerWaalsContact C-N 3.31Å; G460-Q462 PolarHBondContact O-N 3.44Å; G460-L463 CarbonylContact O-C 3.53Å; G460-L463 PolarHBondContact O-N 2.86Å; G460-G464 PolarHBondContact O-N 2.72Å; G460-A465 WeakPolarHBondContact O-CB 3.45Å; G460-A465 PolarHBondContact O-N 3.48Å
461	H	90	Very high	85.2	Confident	25 Å²	25	21 Å²	21	12%	0.116	10%	0.101	C	C	.	.	H	α-helix	trans	-58.7	-45.7	171.8	-76.8	-61.1	0	0	0	112	A429 Y431 R432 H457 E458 L463 G464 H467	A429-H461 HydrophobicContact CB-CB 4.25Å; Y431-H461 CarbonylContact C-O 3.6Å; Y431-H461 WeakPolarHBondContact CA-O 3.49Å; R432-H461 PolarHBondContact N-O 2.02Å; H457-H461 AromaticContact CD2-CD2 3.58Å; H457-H461 AromaticContact CD2-NE2 3.52Å; H457-H461 AromaticContact CE1-NE2 3.88Å; H457-H461 AromaticContact NE2-CD2 3.59Å; H457-H461 AromaticContact NE2-NE2 3Å; H457-H461 PolarHBondContact NE2-NE2 2.98Å; H457-H461 PolarHBondContact O-N 2.59Å; H457-H461 VanDerWaalsContact O-N 3.08Å; E458-H461 PolarHBondContact O-N 3.4Å; E458-H461 IonicContact OE2-CD2 3.28Å; H461-L463 VanDerWaalsContact C-N 3.34Å; H461-L463 PolarHBondContact O-N 3.22Å; H461-G464 WeakPolarHBondContact O-CA 3.46Å; H461-G464 PolarHBondContact O-N 3.19Å; H461-H467 AromaticContact CE1-CD2 3.45Å; H461-H467 PolarHBondContact CE1-CD2 2.89Å; H461-H467 VanDerWaalsContact CE1-CD2 3.45Å; H461-H467 AromaticContact CE1-NE2 3.36Å; H461-H467 PolarHBondContact CE1-NE2 3.23Å; H461-H467 AromaticContact NE2-CD2 3.53Å; H461-H467 AromaticContact NE2-NE2 3.19Å; H461-H467 PolarHBondContact NE2-NE2 2.81Å; H461-H467 VanDerWaalsContact NE2-NE2 3.19Å
462	Q	93.4	Very high	82.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.1	-37.8	177.9	-66	-171.5	-19.5	0	0	112.7	S412 A429 R432 S433 M434 C441 E458 L459 G460 G464	S412-Q462 VanDerWaalsContact CB-OE1 3.32Å; S412-Q462 VanDerWaalsContact OG-CD 3.25Å; S412-Q462 PolarHBondContact OG-NE2 3.3Å; S412-Q462 PolarHBondContact OG-OE1 2.95Å; A429-Q462 HydrophobicContact CB-CG 3.98Å; R432-Q462 CarbonylContact C-O 3.56Å; R432-Q462 WeakPolarHBondContact CA-O 3.44Å; S433-Q462 PolarHBondContact N-O 2.89Å; M434-Q462 HydrophobicContact CB-CB 4.16Å; M434-Q462 VanDerWaalsContact CB-O 3.3Å; M434-Q462 WeakPolarHBondContact CB-O 3.34Å; M434-Q462 HydrophobicContact CE-CB 4.07Å; M434-Q462 PolarHBondContact N-O 3.05Å; M434-Q462 VanDerWaalsContact N-O 3.08Å; C441-Q462 VanDerWaalsContact C-NE2 3.26Å; C441-Q462 VanDerWaalsContact N-NE2 3.14Å; C441-Q462 PolarHBondContact O-NE2 2.79Å; E458-Q462 PolarHBondContact O-N 2.99Å; L459-Q462 PolarHBondContact O-N 3.1Å; G460-Q462 PolarHBondContact O-N 3.44Å; Q462-G464 PolarHBondContact O-N 3.1Å
463	L	92.1	Very high	80.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-0	172.3	-68.6	167.9	0	0	0	113.2	L352 I361 M434 L459 G460 H461 I554 F557 L566	L352-L463 HydrophobicContact CD2-CD1 4.21Å; I361-L463 HydrophobicContact CD1-CD1 3.72Å; M434-L463 HydrophobicContact CB-CD2 4.41Å; M434-L463 HydrophobicContact CE-CD2 4.38Å; M434-L463 HydrophobicContact CE-CG 4.37Å; M434-L463 HydrophobicContact CG-CD2 4.1Å; L459-L463 WeakPolarHBondContact O-CB 3.48Å; L459-L463 VanDerWaalsContact O-CG 3.27Å; L459-L463 WeakPolarHBondContact O-CG 3.2Å; L459-L463 PolarHBondContact O-N 2.76Å; G460-L463 CarbonylContact O-C 3.53Å; G460-L463 PolarHBondContact O-N 2.86Å; H461-L463 VanDerWaalsContact C-N 3.34Å; H461-L463 PolarHBondContact O-N 3.22Å; L463-I554 HydrophobicContact CB-CD1 4.47Å; L463-I554 HydrophobicContact CB-CG1 4Å; L463-I554 HydrophobicContact CB-CG2 4.37Å; L463-F557 HydrophobicContact CD2-CD1 4.4Å; L463-F557 HydrophobicContact CD2-CE1 4.39Å; L463-F557 WeakPolarHBondContact O-CB 3.26Å; L463-F557 WeakPolarHBondContact O-CD1 3.48Å; L463-F557 WeakPolarHBondContact O-CG 3.28Å; L463-L566 HydrophobicContact CD2-CD1 3.73Å
464	G	86.7	Confident	78.9	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	12.5	166.9	0	0	0	0	0	117.2	Y431 G460 H461 Q462 A553	Y431-G464 WeakPolarHBondContact CE2-O 3.44Å; G460-G464 PolarHBondContact O-N 2.72Å; H461-G464 WeakPolarHBondContact O-CA 3.46Å; H461-G464 PolarHBondContact O-N 3.19Å; Q462-G464 PolarHBondContact O-N 3.1Å; G464-A553 WeakPolarHBondContact O-CB 3.25Å
465	A	87.4	Confident	77.2	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.			trans	-64.9	154.2	157.3	0	0	0	0	0	110.6	Y431 G460 M533 I554	Y431-A465 VanDerWaalsContact CD2-O 3.24Å; Y431-A465 WeakPolarHBondContact CD2-O 3.41Å; Y431-A465 WeakPolarHBondContact CE2-O 3.07Å; G460-A465 WeakPolarHBondContact O-CB 3.45Å; G460-A465 PolarHBondContact O-N 3.48Å; A465-M533 HydrophobicContact CB-CE 4.02Å; A465-M533 HydrophobicContact CB-CG 3.94Å; A465-M533 HydrophobicContact CB-SD 4.26Å; A465-I554 HydrophobicContact CB-CD1 4.07Å; A465-I554 HydrophobicContact CB-CG1 4.03Å
466	K	82.1	Confident	74.8	Confident	66 Å²	66	34.5 Å²	34.5	29%	0.287	19%	0.188	S	C	.	.			trans	-104.5	-178.7	168.5	-65.5	-178	178.4	177.5	0	108.5	Y431 D468 S474 M533	Y431-K466 HydrophobicContact CD2-CG 4.48Å; Y431-K466 HydrophobicContact CE2-CG 3.63Å; K466-D468 PolarHBondContact O-N 2.83Å; K466-S474 PolarHBondContact NZ-OG 2.89Å; K466-M533 WeakPolarHBondContact O-CE 3.46Å
467	H	83.2	Confident	72.6	Confident	48 Å²	48	40.2 Å²	40.2	22%	0.222	22%	0.217	C	C	.	.			trans	-61.7	134.3	161.1	-64.7	139.9	0	0	0	110.6	H457 H461 E470 M533	H457-H467 AromaticContact CE1-CD2 3.61Å; H457-H467 AromaticContact CE1-NE2 3.81Å; H457-H467 AromaticContact NE2-CD2 3.7Å; H457-H467 AromaticContact NE2-NE2 3.46Å; H457-H467 PolarHBondContact NE2-NE2 2.94Å; H461-H467 AromaticContact CE1-CD2 3.45Å; H461-H467 PolarHBondContact CE1-CD2 2.89Å; H461-H467 VanDerWaalsContact CE1-CD2 3.45Å; H461-H467 AromaticContact CE1-NE2 3.36Å; H461-H467 PolarHBondContact CE1-NE2 3.23Å; H461-H467 AromaticContact NE2-CD2 3.53Å; H461-H467 AromaticContact NE2-NE2 3.19Å; H461-H467 PolarHBondContact NE2-NE2 2.81Å; H461-H467 VanDerWaalsContact NE2-NE2 3.19Å; H467-E470 HydrophobicContact CB-CB 3.82Å; H467-E470 HydrophobicContact CB-CG 4.45Å; H467-E470 IonicContact CE1-OE1 3.49Å; H467-E470 IonicContact CG-OE1 2.68Å; H467-E470 IonicContact ND1-OE1 3.16Å; H467-E470 PolarHBondContact ND1-OE1 2.79Å; H467-M533 CarbonylContact C-O 3.13Å; H467-M533 WeakPolarHBondContact CA-O 3.2Å
468	D	74.7	Confident	70	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.016	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-70.8	145.2	166.7	-56	-42.3	0	0	0	108.9	K466 E470 T531 M533 S547 S550	K466-D468 PolarHBondContact O-N 2.83Å; D468-E470 PolarHBondContact O-N 3.09Å; D468-T531 WeakPolarHBondContact OD2-CB 3.46Å; D468-T531 PolarHBondContact OD2-OG1 3.23Å; D468-M533 PolarHBondContact N-O 2.71Å; D468-M533 WeakPolarHBondContact OD2-CB 3.37Å; D468-S547 VanDerWaalsContact CG-CB 3.48Å; D468-S547 WeakPolarHBondContact OD1-CB 3.32Å; D468-S547 PolarHBondContact OD1-OG 2.87Å; D468-S547 VanDerWaalsContact OD2-CB 3.29Å; D468-S547 WeakPolarHBondContact OD2-CB 3.5Å; D468-S547 PolarHBondContact OD2-OG 2.94Å; D468-S550 PolarHBondContact OD1-OG 2.8Å
469	F	65.6	Low	67.2	Low	20 Å²	20	48.9 Å²	48.9	9%	0.088	26%	0.258	C	S	.	.	S	Bend	trans	63.6	0.4	173.7	-34.8	-70.7	0	0	0	117.6	L471 C475 E479 V527 R528 T531	F469-L471 PolarHBondContact O-N 2.83Å; F469-C475 PolarHBondContact N-O 2.87Å; F469-E479 HydrophobicContact CE1-CB 4.29Å; F469-E479 HydrophobicContact CE1-CG 4.31Å; F469-E479 VanDerWaalsContact CE1-OE2 3.25Å; F469-E479 WeakPolarHBondContact CE1-OE2 3.3Å; F469-E479 VanDerWaalsContact CZ-OE2 3.27Å; F469-E479 WeakPolarHBondContact CZ-OE2 2.79Å; F469-V527 HydrophobicContact CB-CB 4.29Å; F469-V527 HydrophobicContact CB-CG1 3.66Å; F469-V527 HydrophobicContact CB-CG2 3.78Å; F469-V527 HydrophobicContact CD1-CB 3.94Å; F469-V527 HydrophobicContact CD1-CG1 3.79Å; F469-V527 HydrophobicContact CD1-CG2 3.77Å; F469-V527 HydrophobicContact CD2-CB 4.29Å; F469-V527 HydrophobicContact CD2-CG1 3.25Å; F469-V527 HydrophobicContact CE1-CB 4.41Å; F469-V527 HydrophobicContact CE1-CG1 4.3Å; F469-V527 HydrophobicContact CE2-CG1 3.82Å; F469-V527 HydrophobicContact CG-CB 3.89Å; F469-V527 HydrophobicContact CG-CG1 3.24Å; F469-V527 HydrophobicContact CG-CG2 3.8Å; F469-V527 HydrophobicContact CZ-CG1 4.32Å; F469-R528 HydrophobicContact CE1-CB 4.45Å; F469-R528 WeakPolarHBondContact CE2-O 3.33Å; F469-R528 HydrophobicContact CZ-CB 3.74Å; F469-R528 WeakPolarHBondContact CZ-O 3.01Å; F469-T531 HydrophobicContact CE2-CG2 4.39Å; F469-T531 HydrophobicContact CZ-CG2 4.33Å
470	E	57.8	Low	64.3	Low	93 Å²	93	55.4 Å²	55.4	44%	0.435	29%	0.288	S	S	.	.			trans	-58.3	122.7	173.8	-177.1	175.5	-105.7	0	0	110.2	H467 D468 S473	H467-E470 HydrophobicContact CB-CB 3.82Å; H467-E470 HydrophobicContact CB-CG 4.45Å; H467-E470 IonicContact CE1-OE1 3.49Å; H467-E470 IonicContact CG-OE1 2.68Å; H467-E470 IonicContact ND1-OE1 3.16Å; H467-E470 PolarHBondContact ND1-OE1 2.79Å; D468-E470 PolarHBondContact O-N 3.09Å; E470-S473 WeakPolarHBondContact O-CB 2.99Å; E470-S473 PolarHBondContact O-N 2.77Å; E470-S473 PolarHBondContact O-OG 3.22Å
471	L	43.8	Very low	61.2	Low	143 Å²	143	60.1 Å²	60.1	75%	0.749	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	141.5	-177.6	-76	162.8	0	0	0	110.9	F469 S473	F469-L471 PolarHBondContact O-N 2.83Å; L471-S473 PolarHBondContact O-N 2.84Å
472	N	42.1	Very low	58.3	Low	164 Å²	164	66.4 Å²	66.4	88%	0.877	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	3.4	-170.1	-58	-39.8	0	0	0	115.9
473	S	46.8	Very low	55.1	Low	22 Å²	22	70.4 Å²	70.4	15%	0.154	36%	0.362	C	S	.	.	S	Bend	trans	-76.3	161.5	169.5	84.3	0	0	0	0	111.5	E470 L471 C475 G476	E470-S473 WeakPolarHBondContact O-CB 2.99Å; E470-S473 PolarHBondContact O-N 2.77Å; E470-S473 PolarHBondContact O-OG 3.22Å; L471-S473 PolarHBondContact O-N 2.84Å; S473-C475 PolarHBondContact O-N 2.82Å; S473-C475 VanDerWaalsContact O-N 3.12Å; S473-C475 PolarHBondContact OG-N 2.8Å; S473-C475 VanDerWaalsContact OG-N 3.12Å; S473-G476 PolarHBondContact O-N 2.83Å; S473-G476 PolarHBondContact OG-N 2.8Å
474	S	52.3	Low	52	Low	81 Å²	81	79.1 Å²	79.1	57%	0.566	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	16.4	172	67.4	0	0	0	0	113.7	K466 C549	K466-S474 PolarHBondContact NZ-OG 2.89Å; S474-C549 PolarHBondContact O-SG 3.35Å; S474-C549 VanDerWaalsContact O-SG 3.32Å
475	C	58.1	Low	49.2	Very low	6 Å²	6	83.8 Å²	83.8	4%	0.041	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	16.2	170.4	-61.2	0	0	0	0	111.2	F469 S473 L477 C549	F469-C475 PolarHBondContact N-O 2.87Å; S473-C475 PolarHBondContact O-N 2.82Å; S473-C475 VanDerWaalsContact O-N 3.12Å; S473-C475 PolarHBondContact OG-N 2.8Å; S473-C475 VanDerWaalsContact OG-N 3.12Å; C475-L477 PolarHBondContact O-N 3.2Å; C475-C549 WeakPolarHBondContact CA-SG 3.46Å; C475-C549 HydrophobicContact CB-CB 3.64Å; C475-C549 WeakPolarHBondContact CB-SG 3.39Å; C475-C549 WeakPolarHBondContact SG-CB 3.37Å; C475-C549 CovalentContact SG-SG 2.04Å; C475-C549 PolarHBondContact SG-SG 2.04Å
476	G	44.5	Very low	46.3	Very low	25 Å²	25	88 Å²	88	26%	0.258	47%	0.465	S	S	.	.	S	Bend	trans	-75.4	118.8	178	0	0	0	0	0	112.4	S473 E478	S473-G476 PolarHBondContact O-N 2.83Å; S473-G476 PolarHBondContact OG-N 2.8Å; G476-E478 PolarHBondContact O-N 2.64Å
477	L	47.1	Very low	43.8	Very low	120 Å²	120	87.5 Å²	87.5	63%	0.628	47%	0.469	S	S	*	.	S	Bend	trans	58.6	-20.2	166.7	-59	176.7	0	0	0	119.7	C475 E479 V527	C475-L477 PolarHBondContact O-N 3.2Å; L477-E479 PolarHBondContact O-N 3.35Å; L477-V527 HydrophobicContact CD2-CG2 4.06Å
478	E	38.7	Very low	41	Very low	184 Å²	184	86.6 Å²	86.6	86%	0.86	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-72.1	4.2	-177.7	-65	-170.6	139.8	0	0	115.3	G476 Q480	G476-E478 PolarHBondContact O-N 2.64Å; E478-Q480 PolarHBondContact O-N 2.98Å
479	E	37.3	Very low	38.8	Very low	27 Å²	27	90 Å²	90	13%	0.126	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-79.8	-4	-165.6	-76	-135.2	95	0	0	117.5	F469 L477 S547 A548 C549	F469-E479 HydrophobicContact CE1-CB 4.29Å; F469-E479 HydrophobicContact CE1-CG 4.31Å; F469-E479 VanDerWaalsContact CE1-OE2 3.25Å; F469-E479 WeakPolarHBondContact CE1-OE2 3.3Å; F469-E479 VanDerWaalsContact CZ-OE2 3.27Å; F469-E479 WeakPolarHBondContact CZ-OE2 2.79Å; L477-E479 PolarHBondContact O-N 3.35Å; E479-S547 VanDerWaalsContact OE1-CB 3.25Å; E479-S547 WeakPolarHBondContact OE1-CB 3.25Å; E479-S547 PolarHBondContact OE1-OG 3.18Å; E479-S547 VanDerWaalsContact OE2-CB 3.29Å; E479-S547 WeakPolarHBondContact OE2-CB 3.5Å; E479-A548 WeakPolarHBondContact OE1-CA 3.28Å; E479-A548 WeakPolarHBondContact OE1-CB 3.4Å; E479-A548 PolarHBondContact OE1-N 3.34Å; E479-C549 HydrophobicContact CG-CB 4.35Å; E479-C549 PolarHBondContact OE1-N 2.94Å
480	Q	33.5	Very low	37	Very low	136 Å²	136	93.9 Å²	93.9	64%	0.636	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-82.4	-22.3	-163	-67.4	-170.4	-19.5	0	0	115.8	E478 F526	E478-Q480 PolarHBondContact O-N 2.98Å; Q480-F526 PolarHBondContact NE2-O 2.84Å
481	D	28.4	Very low	35.5	Very low	100 Å²	100	92.2 Å²	92.2	54%	0.535	50%	0.501	S	S	.	.	S	Bend	trans	-102.8	6.5	-161.6	-94.9	-3.4	0	0	0	117.2
482	H	28	Very low	34.7	Very low	156 Å²	156	87.7 Å²	87.7	72%	0.722	48%	0.481	S	S	*	.			trans	-121.2	59.8	-169.4	-74.5	-2.2	0	0	0	116.1
483	H	27.1	Very low	33.9	Very low	85 Å²	85	84 Å²	84	39%	0.394	47%	0.473	S	S	.	.			trans	-156.4	78.7	162.6	-87.6	-77	0	0	0	112.6	K358 R551	K358-H483 WeakPolarHBondContact CE-CE1 3.27Å; H483-R551 PolarHBondContact NE2-NH1 2.87Å; H483-R551 VanDerWaalsContact NE2-NH1 3.12Å; H483-R551 PolarHBondContact NE2-NH2 2.68Å
484	M	27.3	Very low	32.9	Very low	183 Å²	183	91.4 Å²	91.4	90%	0.901	51%	0.505	S	S	*	.	S	Bend	trans	-177.1	131.1	148.5	-106.8	174.1	-173.2	0	0	113.7
485	A	28.3	Very low	31.7	Very low	98 Å²	98	92.5 Å²	92.5	81%	0.81	51%	0.505	S	S	*	.			trans	66.4	144.5	155	0	0	0	0	0	121.7
486	D	26.2	Very low	30.2	Very low	88 Å²	88	99.5 Å²	99.5	47%	0.471	54%	0.541	S	S	.	.			trans	-78.2	166.8	-165.4	-84.6	-77.8	0	0	0	117.9
487	P	28.7	Very low	29.4	Very low	56 Å²	56	105.6 Å²	105.6	36%	0.364	56%	0.56	S	S	.	*			trans	-110.4	150.7	-162.5	38.9	-30.3	0	0	0	115.4	S675	P487-S675 WeakPolarHBondContact O-CB 3.36Å; P487-S675 PolarHBondContact O-N 3.13Å; P487-S675 PolarHBondContact O-OG 3.06Å
488	P	25.2	Very low	28.3	Very low	29 Å²	29	104.2 Å²	104.2	19%	0.188	55%	0.553	C	S	.	*			trans	-139.3	161.7	132.4	2.5	22.3	0	0	0	119.3	S675 Y1917 R1935	P488-S675 WeakPolarHBondContact CB-OG 3.41Å; P488-Y1917 HydrophobicContact CB-CE1 4.06Å; P488-Y1917 HydrophobicContact CB-CE2 4.47Å; P488-Y1917 HydrophobicContact CG-CD1 4.05Å; P488-Y1917 HydrophobicContact CG-CE1 3.53Å; P488-R1935 PolarHBondContact O-NH2 3.42Å
489	T	27.2	Very low	27.7	Very low	73 Å²	73	98.5 Å²	98.5	45%	0.448	54%	0.544	S	S	.	.			trans	60.6	159.8	138.9	60.8	0	0	0	0	126.8	Y1917	T489-Y1917 HydrophobicContact CG2-CE2 4.26Å; T489-Y1917 WeakPolarHBondContact OG1-CE2 3.48Å
490	R	28.8	Very low	27.2	Very low	103 Å²	103	99.9 Å²	99.9	39%	0.389	55%	0.554	S	S	.	*			trans	83.6	159.9	150.6	-138.6	166.7	-176.6	147	8.8	120.1	K678 L1915 D2123	R490-K678 WeakPolarHBondContact O-CE 3.11Å; R490-K678 PolarHBondContact O-NZ 2.74Å; R490-K678 VanDerWaalsContact O-NZ 3.12Å; R490-L1915 PolarHBondContact NH1-O 2.72Å; R490-D2123 IonicContact CZ-OD2 2.69Å; R490-D2123 IonicContact NE-OD1 2.75Å; R490-D2123 PolarHBondContact NE-OD1 3.34Å; R490-D2123 IonicContact NE-OD2 3.48Å; R490-D2123 PolarHBondContact NE-OD2 3.19Å; R490-D2123 IonicContact NH2-OD2 2.69Å; R490-D2123 PolarHBondContact NH2-OD2 3.49Å
491	S	25.8	Very low	26.8	Very low	57 Å²	57	99.6 Å²	99.6	40%	0.399	55%	0.548	S	S	.	.			trans	-86.1	-158.7	-131.7	-31.8	0	0	0	0	116.3	K678 D2123	S491-K678 PolarHBondContact O-NZ 2.71Å; S491-D2123 WeakPolarHBondContact CB-OD1 3.21Å; S491-D2123 PolarHBondContact OG-OD1 3.24Å
492	S	28.4	Very low	26.9	Very low	48 Å²	48	99.6 Å²	99.6	34%	0.336	55%	0.553	S	S	.	*			trans	57.2	123.5	-166.2	65.3	0	0	0	0	113.7	K678	S492-K678 PolarHBondContact O-NZ 2.84Å
493	A	24.9	Very low	26.7	Very low	87 Å²	87	102 Å²	102	72%	0.719	56%	0.558	S	S	*	*			cis	72.2	135.1	32.7	0	0	0	0	0	113.8
494	H	26.4	Very low	26.7	Very low	178 Å²	178	107.8 Å²	107.8	82%	0.824	58%	0.577	S	S	*	*			trans	85.1	131.2	-171.8	-62.9	-80.6	0	0	0	118.7
495	D	26.1	Very low	26.6	Very low	103 Å²	103	105.7 Å²	105.7	55%	0.551	57%	0.565	S	S	*	*			trans	59.4	59.5	147.2	-68.2	28.1	0	0	0	121.1	K497	D495-K497 HydrophobicContact CB-CD 4.46Å; D495-K497 HydrophobicContact CB-CG 4.27Å; D495-K497 PolarHBondContact O-N 2.88Å; D495-K497 WeakPolarHBondContact OD2-CE 3.34Å; D495-K497 IonicContact OD2-NZ 2.75Å; D495-K497 PolarHBondContact OD2-NZ 2.93Å
496	L	26.2	Very low	26.5	Very low	153 Å²	153	106.6 Å²	106.6	80%	0.801	57%	0.566	S	S	*	*			trans	-71.8	82	152.6	-108.2	172	0	0	0	110.7	L498 K734	L496-L498 PolarHBondContact O-N 2.98Å; L496-L498 VanDerWaalsContact O-N 3.13Å; L496-K734 PolarHBondContact O-NZ 2.85Å
497	K	27.5	Very low	26.5	Very low	154 Å²	154	104.9 Å²	104.9	67%	0.67	57%	0.569	S	S	*	*			trans	-76.4	87.9	178	-74.9	171.8	175.3	152.4	0	111.7	D495 G499	D495-K497 HydrophobicContact CB-CD 4.46Å; D495-K497 HydrophobicContact CB-CG 4.27Å; D495-K497 PolarHBondContact O-N 2.88Å; D495-K497 WeakPolarHBondContact OD2-CE 3.34Å; D495-K497 IonicContact OD2-NZ 2.75Å; D495-K497 PolarHBondContact OD2-NZ 2.93Å; K497-G499 PolarHBondContact O-N 2.87Å
498	L	24.8	Very low	26.4	Very low	90 Å²	90	107.6 Å²	107.6	47%	0.471	58%	0.581	S	S	.	*			trans	-67.2	73.1	141.5	-83	80.2	0	0	0	107.6	L496 K734	L496-L498 PolarHBondContact O-N 2.98Å; L496-L498 VanDerWaalsContact O-N 3.13Å; L498-K734 HydrophobicContact CB-CD 4.4Å; L498-K734 WeakPolarHBondContact O-CE 3.38Å
499	G	25.6	Very low	26.5	Very low	65 Å²	65	112.6 Å²	112.6	67%	0.67	60%	0.601	S	S	*	*			trans	-108.5	110.7	177.9	0	0	0	0	0	108.5	K497	K497-G499 PolarHBondContact O-N 2.87Å
500	T	26.3	Very low	26.5	Very low	55 Å²	55	119 Å²	119	34%	0.337	62%	0.618	S	S	.	*			trans	-98.6	135.5	-175.3	53.4	0	0	0	0	110.5	Q738	T500-Q738 HydrophobicContact CG2-CB 4.32Å; T500-Q738 HydrophobicContact CG2-CG 3.94Å; T500-Q738 VanDerWaalsContact OG1-CB 3.3Å; T500-Q738 WeakPolarHBondContact OG1-CB 3.38Å; T500-Q738 WeakPolarHBondContact OG1-CG 3.22Å
501	Y	25.3	Very low	26.3	Very low	130 Å²	130	119.3 Å²	119.3	51%	0.51	63%	0.627	S	S	.	*			trans	179.3	171.4	133.2	-98.1	-31.8	0	0	0	114.3	G737 Q738 K740	Y501-G737 WeakPolarHBondContact CE2-O 3.36Å; Y501-G737 PolarHBondContact OH-O 3.21Å; Y501-Q738 VanDerWaalsContact CE1-O 3.29Å; Y501-Q738 WeakPolarHBondContact CE1-O 3.16Å; Y501-Q738 VanDerWaalsContact CZ-O 3.24Å; Y501-Q738 PolarHBondContact OH-O 3.07Å; Y501-K740 WeakPolarHBondContact OH-CG 3.24Å
502	P	30.7	Very low	26.2	Very low	100 Å²	100	124.8 Å²	124.8	65%	0.649	64%	0.64	S	S	*	*			trans	-138.2	-169.6	-140.6	42.3	-20.4	0	0	0	116.2
503	Y	24.3	Very low	26	Very low	206 Å²	206	129.9 Å²	129.9	81%	0.808	65%	0.652	S	S	*	*			trans	71.6	85.5	139.1	-140.6	-71.1	0	0	0	119.9
504	Y	27	Very low	26	Very low	207 Å²	207	130 Å²	130	81%	0.812	64%	0.638	S	S	*	*			trans	-142.1	118.9	147.1	-92.6	-93.1	0	0	0	106
505	Q	26	Very low	25.9	Very low	139 Å²	139	126.7 Å²	126.7	65%	0.65	63%	0.626	S	S	*	*				88.3	104	74	-82.3	-166.8	-8.5	0	0	114.4
506	S	24.9	Very low	25.9	Very low	118 Å²	118	127.5 Å²	127.5	83%	0.825	62%	0.622	S	S	*	*			trans	43.9	121.6	140.1	58.4	0	0	0	0	121.7
507	G	25.7	Very low	26.2	Very low	52 Å²	52	125.2 Å²	125.2	54%	0.536	60%	0.603	S	S	.	*			trans	178.1	117	158.3	0	0	0	0	0	114.2
508	D	28	Very low	26.7	Very low	113 Å²	113	124.3 Å²	124.3	60%	0.604	61%	0.605	S	S	*	*			trans	40.8	95.3	133.5	-48.2	-14.4	0	0	0	121.2
509	E	26.7	Very low	26.7	Very low	133 Å²	133	125.8 Å²	125.8	62%	0.621	62%	0.623	S	S	*	*				48.2	82.6	105.3	-167.1	172.9	-161	0	0	119.6
510	W	26.9	Very low	26.8	Very low	209 Å²	209	126 Å²	126	79%	0.792	61%	0.609	S	S	*	*			trans	-157.2	110.2	143.9	-67.1	95.1	0	0	0	105.3
511	D	24.6	Very low	26.8	Very low	108 Å²	108	125.6 Å²	125.6	58%	0.578	61%	0.607	S	S	*	*			cis	52.9	132.6	32.3	-154.6	21.6	0	0	0	115.6
512	Y	24.2	Very low	26.9	Very low	172 Å²	172	125.6 Å²	125.6	68%	0.675	61%	0.611	S	S	*	*			trans	52.2	136.2	172.5	-72.7	-42.9	0	0	0	118.9
513	R	23.6	Very low	26.7	Very low	155 Å²	155	126.4 Å²	126.4	59%	0.585	61%	0.606	S	S	*	*			cis	-172.9	155.7	-9	-157.6	176.5	167.6	128.2	-1.6	107.7
514	E	24.3	Very low	26.7	Very low	90 Å²	90	123.1 Å²	123.1	42%	0.421	59%	0.593	S	S	.	*			trans	50.7	-153.7	146.8	-91	159.4	-155.5	0	0	114.4
515	D	24.5	Very low	26.5	Very low	108 Å²	108	117.6 Å²	117.6	58%	0.578	58%	0.575	S	S	*	*			trans	124.5	39.6	130.2	-54.1	38.1	0	0	0	112.4
516	Y	27.7	Very low	26.7	Very low	121 Å²	121	118.5 Å²	118.5	48%	0.475	58%	0.577	S	S	.	*			trans	14.5	118	170	-70	176.2	0	0	0	122.5	V521	Y516-V521 HydrophobicContact CD2-CB 4.43Å; Y516-V521 HydrophobicContact CD2-CG2 4.37Å
517	R	32.3	Very low	27.2	Very low	104 Å²	104	113.4 Å²	113.4	39%	0.392	54%	0.54	S	S	.	.				92.6	138.9	87.1	-67.4	-166.7	160.7	127.8	17.4	108.8	D520	R517-D520 WeakPolarHBondContact CB-OD1 3.25Å; R517-D520 WeakPolarHBondContact CD-OD1 3.13Å; R517-D520 VanDerWaalsContact CD-OD2 3.29Å; R517-D520 WeakPolarHBondContact CD-OD2 3.31Å; R517-D520 HydrophobicContact CG-CB 3.87Å; R517-D520 WeakPolarHBondContact CG-OD1 3.23Å; R517-D520 IonicContact CZ-OD2 2.98Å; R517-D520 IonicContact NE-OD1 2.78Å; R517-D520 IonicContact NE-OD2 3.13Å; R517-D520 PolarHBondContact NE-OD2 2.93Å; R517-D520 IonicContact NH2-OD2 3.77Å
518	N	36.6	Very low	28.2	Very low	135 Å²	135	116.3 Å²	116.3	72%	0.722	54%	0.535	S	S	*	.	S	Bend	cis	-152.1	131.4	38.1	-60.7	-99.6	0	0	0	108.8	D520	N518-D520 WeakPolarHBondContact CA-OD1 3.28Å
519	S	25.3	Very low	29.6	Very low	122 Å²	122	114.6 Å²	114.6	85%	0.853	52%	0.52	S	S	*	.	S	Bend	cis	-71	72.3	-6.8	72.4	0	0	0	0	119.1
520	D	28.4	Very low	31.5	Very low	70 Å²	70	109.1 Å²	109.1	37%	0.374	50%	0.495	S	S	.	.			trans	57	95.9	136.1	-50.1	10.9	0	0	0	122.4	R517 N518	R517-D520 WeakPolarHBondContact CB-OD1 3.25Å; R517-D520 WeakPolarHBondContact CD-OD1 3.13Å; R517-D520 VanDerWaalsContact CD-OD2 3.29Å; R517-D520 WeakPolarHBondContact CD-OD2 3.31Å; R517-D520 HydrophobicContact CG-CB 3.87Å; R517-D520 WeakPolarHBondContact CG-OD1 3.23Å; R517-D520 IonicContact CZ-OD2 2.98Å; R517-D520 IonicContact NE-OD1 2.78Å; R517-D520 IonicContact NE-OD2 3.13Å; R517-D520 PolarHBondContact NE-OD2 2.93Å; R517-D520 IonicContact NH2-OD2 3.77Å; N518-D520 WeakPolarHBondContact CA-OD1 3.28Å
521	V	26.5	Very low	34.2	Very low	46 Å²	46	99.2 Å²	99.2	28%	0.279	46%	0.458	S	S	.	.	S	Bend		21.3	105.6	122.6	180	0	0	0	0	115.7	Y516	Y516-V521 HydrophobicContact CD2-CB 4.43Å; Y516-V521 HydrophobicContact CD2-CG2 4.37Å
522	H	27.7	Very low	37.2	Very low	129 Å²	129	94 Å²	94	60%	0.597	43%	0.43	S	S	*	.			cis	-129.3	113.4	37.4	-79.3	-82.6	0	0	0	111.7	Y524	H522-Y524 PolarHBondContact O-N 2.97Å
523	Q	25.3	Very low	40.2	Very low	118 Å²	118	85.9 Å²	85.9	55%	0.551	40%	0.398	S	S	*	.			trans	-80.3	35.5	-170.4	-158.7	-178.9	-7.6	0	0	114.3	L1946	Q523-L1946 HydrophobicContact CB-CD1 4.25Å; Q523-L1946 HydrophobicContact CB-CD2 3.89Å; Q523-L1946 HydrophobicContact CG-CD1 4.1Å; Q523-L1946 HydrophobicContact CG-CD2 4.39Å; Q523-L1946 WeakPolarHBondContact O-CD1 3.18Å
524	Y	24.3	Very low	43.1	Very low	137 Å²	137	78.9 Å²	78.9	54%	0.537	37%	0.373	S	S	.	.			trans	-79.7	179	159.3	-73.9	-118.3	0	0	0	107.9	H522 F526 Y1949	H522-Y524 PolarHBondContact O-N 2.97Å; Y524-F526 PolarHBondContact O-N 3.3Å; Y524-Y1949 AromaticContact CE1-CE2 3.57Å; Y524-Y1949 HydrophobicContact CE1-CE2 3.57Å; Y524-Y1949 AromaticContact CE1-CZ 3.89Å; Y524-Y1949 WeakPolarHBondContact CE1-OH 3.01Å; Y524-Y1949 AromaticContact CZ-CE2 3.74Å; Y524-Y1949 WeakPolarHBondContact OH-CE2 3.25Å; Y524-Y1949 VanDerWaalsContact OH-CZ 3.3Å; Y524-Y1949 PolarHBondContact OH-OH 3.48Å
525	E	23.2	Very low	45.6	Very low	90 Å²	90	76.9 Å²	76.9	42%	0.421	38%	0.376	S	S	.	.			trans	47.9	70.3	147.2	-68.7	-168.7	157.9	0	0	118.6	V527 R529	E525-V527 HydrophobicContact CB-CB 3.89Å; E525-V527 HydrophobicContact CB-CG2 3.78Å; E525-V527 HydrophobicContact CG-CB 4.26Å; E525-V527 HydrophobicContact CG-CG2 3.61Å; E525-V527 PolarHBondContact O-N 3.24Å; E525-R529 IonicContact OE2-CZ 3.19Å; E525-R529 IonicContact OE2-NE 2.72Å; E525-R529 IonicContact OE2-NH2 2.78Å; E525-R529 PolarHBondContact OE2-NH2 2.98Å
526	F	30.4	Very low	48	Very low	159 Å²	159	75.7 Å²	75.7	70%	0.697	37%	0.373	S	S	*	.			trans	-86.9	42.9	136.2	-104.9	-65	0	0	0	111.6	Q480 Y524 R528	Q480-F526 PolarHBondContact NE2-O 2.84Å; Y524-F526 PolarHBondContact O-N 3.3Å; F526-R528 PolarHBondContact O-N 3.44Å
527	V	35.9	Very low	50.3	Low	10 Å²	10	71.5 Å²	71.5	6%	0.061	36%	0.359	C	S	.	.				-29.3	119.8	124.9	158.5	0	0	0	0	108.4	F469 L477 E525 R529	F469-V527 HydrophobicContact CB-CB 4.29Å; F469-V527 HydrophobicContact CB-CG1 3.66Å; F469-V527 HydrophobicContact CB-CG2 3.78Å; F469-V527 HydrophobicContact CD1-CB 3.94Å; F469-V527 HydrophobicContact CD1-CG1 3.79Å; F469-V527 HydrophobicContact CD1-CG2 3.77Å; F469-V527 HydrophobicContact CD2-CB 4.29Å; F469-V527 HydrophobicContact CD2-CG1 3.25Å; F469-V527 HydrophobicContact CE1-CB 4.41Å; F469-V527 HydrophobicContact CE1-CG1 4.3Å; F469-V527 HydrophobicContact CE2-CG1 3.82Å; F469-V527 HydrophobicContact CG-CB 3.89Å; F469-V527 HydrophobicContact CG-CG1 3.24Å; F469-V527 HydrophobicContact CG-CG2 3.8Å; F469-V527 HydrophobicContact CZ-CG1 4.32Å; L477-V527 HydrophobicContact CD2-CG2 4.06Å; E525-V527 HydrophobicContact CB-CB 3.89Å; E525-V527 HydrophobicContact CB-CG2 3.78Å; E525-V527 HydrophobicContact CG-CB 4.26Å; E525-V527 HydrophobicContact CG-CG2 3.61Å; E525-V527 PolarHBondContact O-N 3.24Å; V527-R529 HydrophobicContact CB-CG 4.49Å; V527-R529 HydrophobicContact CG1-CG 3.6Å; V527-R529 PolarHBondContact O-N 3.38Å
528	R	46.8	Very low	52.4	Low	114 Å²	114	69.3 Å²	69.3	43%	0.43	35%	0.351	S	S	.	.			trans	-74	79.4	179.4	-101.2	-170.2	178.7	143.8	1	109.5	F469 F526 D530 T531	F469-R528 HydrophobicContact CE1-CB 4.45Å; F469-R528 WeakPolarHBondContact CE2-O 3.33Å; F469-R528 HydrophobicContact CZ-CB 3.74Å; F469-R528 WeakPolarHBondContact CZ-O 3.01Å; F526-R528 PolarHBondContact O-N 3.44Å; R528-D530 WeakPolarHBondContact CB-OD1 3.22Å; R528-D530 WeakPolarHBondContact CG-OD1 3.27Å; R528-D530 PolarHBondContact O-N 2.96Å; R528-D530 VanDerWaalsContact O-N 3.07Å; R528-T531 HydrophobicContact CB-CG2 4.19Å; R528-T531 VanDerWaalsContact O-CG2 3.22Å; R528-T531 WeakPolarHBondContact O-CG2 3.41Å; R528-T531 PolarHBondContact O-N 3.26Å; R528-T531 PolarHBondContact O-OG1 2.75Å
529	R	55.5	Low	54.5	Low	77 Å²	77	63.2 Å²	63.2	29%	0.291	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-11.2	178.6	-71.8	-176.7	179.7	-167.6	2.8	113.1	E525 V527 T531 Y538	E525-R529 IonicContact OE2-CZ 3.19Å; E525-R529 IonicContact OE2-NE 2.72Å; E525-R529 IonicContact OE2-NH2 2.78Å; E525-R529 PolarHBondContact OE2-NH2 2.98Å; V527-R529 HydrophobicContact CB-CG 4.49Å; V527-R529 HydrophobicContact CG1-CG 3.6Å; V527-R529 PolarHBondContact O-N 3.38Å; R529-T531 PolarHBondContact O-N 2.93Å; R529-T531 VanDerWaalsContact O-N 3.12Å; R529-Y538 HydrophobicContact CB-CD2 3.53Å; R529-Y538 HydrophobicContact CB-CE2 3.96Å; R529-Y538 HydrophobicContact CB-CG 3.87Å; R529-Y538 HydrophobicContact CG-CD2 3.92Å; R529-Y538 HydrophobicContact CG-CE2 3.79Å; R529-Y538 HydrophobicContact CG-CG 4.48Å
530	D	66.9	Low	56.6	Low	17 Å²	17	60.1 Å²	60.1	9%	0.091	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	19.5	167.7	78.4	-33.6	0	0	0	114.6	R528 Q541 L544 R545	R528-D530 WeakPolarHBondContact CB-OD1 3.22Å; R528-D530 WeakPolarHBondContact CG-OD1 3.27Å; R528-D530 PolarHBondContact O-N 2.96Å; R528-D530 VanDerWaalsContact O-N 3.07Å; D530-Q541 HydrophobicContact CB-CB 3.92Å; D530-L544 CarbonylContact O-C 3.57Å; D530-L544 VanDerWaalsContact O-CA 3.3Å; D530-L544 WeakPolarHBondContact O-CA 3.44Å; D530-R545 PolarHBondContact O-N 3.38Å; D530-R545 IonicContact OD1-NE 2.71Å; D530-R545 IonicContact OD2-CZ 2.84Å; D530-R545 IonicContact OD2-NE 3.45Å; D530-R545 PolarHBondContact OD2-NE 2.71Å; D530-R545 IonicContact OD2-NH2 3.67Å; D530-R545 PolarHBondContact OD2-NH2 2.78Å
531	T	84.2	Confident	58.7	Low	1 Å²	1	59.4 Å²	59.4	1%	0.006	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-102.9	142.5	177.1	70.1	0	0	0	0	114.7	D468 F469 R528 R529 M533 S534 R545	D468-T531 WeakPolarHBondContact OD2-CB 3.46Å; D468-T531 PolarHBondContact OD2-OG1 3.23Å; F469-T531 HydrophobicContact CE2-CG2 4.39Å; F469-T531 HydrophobicContact CZ-CG2 4.33Å; R528-T531 HydrophobicContact CB-CG2 4.19Å; R528-T531 VanDerWaalsContact O-CG2 3.22Å; R528-T531 WeakPolarHBondContact O-CG2 3.41Å; R528-T531 PolarHBondContact O-N 3.26Å; R528-T531 PolarHBondContact O-OG1 2.75Å; R529-T531 PolarHBondContact O-N 2.93Å; R529-T531 VanDerWaalsContact O-N 3.12Å; T531-M533 VanDerWaalsContact C-N 3.25Å; T531-M533 PolarHBondContact O-N 3.47Å; T531-S534 WeakPolarHBondContact O-CB 3.36Å; T531-S534 PolarHBondContact O-N 3.04Å; T531-S534 PolarHBondContact OG1-N 3.1Å; T531-R545 CarbonylContact C-O 3.34Å; T531-R545 WeakPolarHBondContact CA-O 3.29Å; T531-R545 HydrophobicContact CG2-CG 4.42Å
532	I	88.2	Confident	60.9	Low	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-32.1	178.1	-66.7	158.8	0	0	0	111.8	L351 A456 H457 L537 L544 R545 W546	L351-I532 HydrophobicContact CB-CD1 4.45Å; L351-I532 HydrophobicContact CD2-CD1 3.89Å; A456-I532 HydrophobicContact CB-CG2 4.06Å; H457-I532 HydrophobicContact CB-CG2 4.38Å; H457-I532 PolarHBondContact ND1-O 2.59Å; I532-L537 WeakPolarHBondContact O-CD2 3.16Å; I532-L544 HydrophobicContact CG1-CB 3.96Å; I532-R545 WeakPolarHBondContact CG1-O 3.27Å; I532-R545 PolarHBondContact N-O 3.43Å; I532-W546 HydrophobicContact CB-CD2 4.46Å; I532-W546 HydrophobicContact CD1-CD2 3.96Å; I532-W546 HydrophobicContact CD1-CG 3.92Å; I532-W546 HydrophobicContact CD1-CZ2 4.34Å; I532-W546 HydrophobicContact CG2-CH2 4.19Å; I532-W546 HydrophobicContact CG2-CZ2 4.25Å; I532-W546 HydrophobicContact CG2-CZ3 4.32Å
533	M	87.2	Confident	63.1	Low	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	9	-179	-65.1	-57.6	-53.4	0	0	113.4	H457 A465 K466 H467 D468 T531 W546 S550	H457-M533 HydrophobicContact CB-SD 4.44Å; A465-M533 HydrophobicContact CB-CE 4.02Å; A465-M533 HydrophobicContact CB-CG 3.94Å; A465-M533 HydrophobicContact CB-SD 4.26Å; K466-M533 WeakPolarHBondContact O-CE 3.46Å; H467-M533 CarbonylContact C-O 3.13Å; H467-M533 WeakPolarHBondContact CA-O 3.2Å; D468-M533 PolarHBondContact N-O 2.71Å; D468-M533 WeakPolarHBondContact OD2-CB 3.37Å; T531-M533 VanDerWaalsContact C-N 3.25Å; T531-M533 PolarHBondContact O-N 3.47Å; M533-W546 HydrophobicContact CG-CE3 3.9Å; M533-W546 HydrophobicContact CG-CZ3 3.65Å; M533-W546 HydrophobicContact SD-CZ3 3.84Å; M533-S550 WeakPolarHBondContact CB-OG 2.83Å; M533-S550 VanDerWaalsContact CG-OG 3.26Å; M533-S550 WeakPolarHBondContact CG-OG 3.26Å
534	S	83.3	Confident	65.8	Low	8 Å²	8	49.2 Å²	49.2	6%	0.056	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-58.4	143.7	165.7	-172.4	0	0	0	0	110.2	H457 T531 T536	H457-S534 PolarHBondContact CE1-O 3.26Å; H457-S534 VanDerWaalsContact CE1-O 3.23Å; T531-S534 WeakPolarHBondContact O-CB 3.36Å; T531-S534 PolarHBondContact O-N 3.04Å; T531-S534 PolarHBondContact OG1-N 3.1Å; S534-T536 WeakPolarHBondContact CB-O 3.32Å; S534-T536 PolarHBondContact O-N 2.78Å; S534-T536 PolarHBondContact OG-O 3.11Å
535	G	77	Confident	68.7	Low	48 Å²	48	47.2 Å²	47.2	50%	0.495	23%	0.232	S	C	.	.	S	Bend	trans	-64.5	0.8	176.9	0	0	0	0	0	114.8
536	T	74.7	Confident	71.6	Confident	83 Å²	83	43 Å²	43	51%	0.509	21%	0.212	S	C	.	.	S	Bend	trans	-150	140.6	169.2	-68.8	0	0	0	0	108.3	S534 Y538	S534-T536 WeakPolarHBondContact CB-O 3.32Å; S534-T536 PolarHBondContact O-N 2.78Å; S534-T536 PolarHBondContact OG-O 3.11Å; T536-Y538 HydrophobicContact CG2-CE1 4.32Å; T536-Y538 HydrophobicContact CG2-CE2 4.1Å; T536-Y538 WeakPolarHBondContact O-CD2 3.39Å; T536-Y538 VanDerWaalsContact O-CE2 3.25Å; T536-Y538 WeakPolarHBondContact O-CE2 3.27Å
537	L	76	Confident	74	Confident	33 Å²	33	35.7 Å²	35.7	17%	0.173	18%	0.181	C	C	.	.			trans	-92	107.5	-176	-65.6	175.9	0	0	0	111.3	H453 I454 I532 F539 L544	H453-L537 HydrophobicContact CB-CD1 4.08Å; I454-L537 HydrophobicContact CG1-CD1 3.77Å; I532-L537 WeakPolarHBondContact O-CD2 3.16Å; L537-F539 HydrophobicContact CB-CD2 4.31Å; L537-F539 HydrophobicContact CB-CE2 3.82Å; L537-F539 HydrophobicContact CB-CZ 4.44Å; L537-F539 HydrophobicContact CD1-CE2 4.43Å; L537-F539 HydrophobicContact CD1-CZ 4.49Å; L537-F539 WeakPolarHBondContact O-CD2 3.37Å; L537-F539 PolarHBondContact O-N 2.96Å; L537-L544 HydrophobicContact CD2-CD1 4.09Å
538	Y	77.2	Confident	75.6	Confident	58 Å²	58	36.3 Å²	36.3	23%	0.227	19%	0.187	C	C	.	.			trans	-89.4	82.7	-175.1	-65.1	-86.3	0	0	0	112.2	R529 T536 D540 Q541	R529-Y538 HydrophobicContact CB-CD2 3.53Å; R529-Y538 HydrophobicContact CB-CE2 3.96Å; R529-Y538 HydrophobicContact CB-CG 3.87Å; R529-Y538 HydrophobicContact CG-CD2 3.92Å; R529-Y538 HydrophobicContact CG-CE2 3.79Å; R529-Y538 HydrophobicContact CG-CG 4.48Å; T536-Y538 HydrophobicContact CG2-CE1 4.32Å; T536-Y538 HydrophobicContact CG2-CE2 4.1Å; T536-Y538 WeakPolarHBondContact O-CD2 3.39Å; T536-Y538 VanDerWaalsContact O-CE2 3.25Å; T536-Y538 WeakPolarHBondContact O-CE2 3.27Å; Y538-D540 VanDerWaalsContact C-OD1 3.28Å; Y538-D540 WeakPolarHBondContact CA-OD1 3.33Å; Y538-D540 WeakPolarHBondContact CB-OD1 3.49Å; Y538-D540 PolarHBondContact O-N 2.68Å; Y538-Q541 PolarHBondContact O-N 3.44Å
539	F	80.1	Confident	77.1	Confident	7 Å²	7	32.2 Å²	32.2	3%	0.031	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-65.8	-18.2	-177.5	-75.3	-80	0	0	0	114.6	H453 L537 Q541 F542 R620 E636 A638	H453-F539 HydrophobicContact CB-CE1 4.34Å; H453-F539 HydrophobicContact CB-CZ 4.01Å; H453-F539 AromaticContact CE1-CE1 3.99Å; H453-F539 AromaticContact CG-CE1 3.83Å; H453-F539 AromaticContact CG-CZ 3.99Å; H453-F539 AromaticContact ND1-CE1 3.6Å; H453-F539 AromaticContact ND1-CZ 3.93Å; L537-F539 HydrophobicContact CB-CD2 4.31Å; L537-F539 HydrophobicContact CB-CE2 3.82Å; L537-F539 HydrophobicContact CB-CZ 4.44Å; L537-F539 HydrophobicContact CD1-CE2 4.43Å; L537-F539 HydrophobicContact CD1-CZ 4.49Å; L537-F539 WeakPolarHBondContact O-CD2 3.37Å; L537-F539 PolarHBondContact O-N 2.96Å; F539-Q541 PolarHBondContact O-N 3.07Å; F539-F542 VanDerWaalsContact O-CB 3.23Å; F539-F542 WeakPolarHBondContact O-CB 3.4Å; F539-F542 PolarHBondContact O-N 2.77Å; F539-R620 VanDerWaalsContact O-O 3.12Å; F539-E636 VanDerWaalsContact CD2-C 3.46Å; F539-E636 HydrophobicContact CE2-CB 4.42Å; F539-E636 WeakPolarHBondContact CE2-O 3.44Å; F539-E636 WeakPolarHBondContact CZ-O 3.41Å; F539-A638 HydrophobicContact CD1-CB 4.35Å
540	D	70.8	Confident	78.4	Confident	57 Å²	57	28.5 Å²	28.5	31%	0.305	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-59.4	-27.7	168.5	58	-63.6	0	0	0	112.9	Y538 L616	Y538-D540 VanDerWaalsContact C-OD1 3.28Å; Y538-D540 WeakPolarHBondContact CA-OD1 3.33Å; Y538-D540 WeakPolarHBondContact CB-OD1 3.49Å; Y538-D540 PolarHBondContact O-N 2.68Å; D540-L616 HydrophobicContact CB-CD1 3.65Å
541	Q	71.5	Confident	79	Confident	55 Å²	55	29 Å²	29	26%	0.257	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-97.2	9	-179.4	-45.7	-163.3	2.9	0	0	113.4	D530 Y538 F539	D530-Q541 HydrophobicContact CB-CB 3.92Å; Y538-Q541 PolarHBondContact O-N 3.44Å; F539-Q541 PolarHBondContact O-N 3.07Å
542	F	73.9	Confident	78.5	Confident	24 Å²	24	34 Å²	34	11%	0.105	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-57.5	134.8	179.8	-174.8	-105.4	0	0	0	111.9	H453 F539 L544 A638 G654	H453-F542 AromaticContact NE2-CE2 3.39Å; H453-F542 WeakPolarHBondContact NE2-CE2 3.21Å; F539-F542 VanDerWaalsContact O-CB 3.23Å; F539-F542 WeakPolarHBondContact O-CB 3.4Å; F539-F542 PolarHBondContact O-N 2.77Å; F542-L544 HydrophobicContact CD2-CG 4.44Å; F542-A638 HydrophobicContact CB-CB 4.36Å; F542-A638 HydrophobicContact CD1-CB 3.4Å; F542-A638 HydrophobicContact CD2-CB 4.05Å; F542-A638 HydrophobicContact CE1-CB 3.57Å; F542-A638 HydrophobicContact CE2-CB 4.24Å; F542-A638 HydrophobicContact CG-CB 3.67Å; F542-A638 HydrophobicContact CZ-CB 4.02Å; F542-G654 VanDerWaalsContact CD1-CA 3.5Å; F542-G654 VanDerWaalsContact CE1-N 3.29Å
543	P	73.6	Confident	78.1	Confident	52 Å²	52	34.6 Å²	34.6	34%	0.338	19%	0.19	S	C	.	.	S	Bend	cis	-83.1	133.1	15.4	32.9	-35	0	0	0	115.4	Q653	P543-Q653 HydrophobicContact CB-CB 4.35Å; P543-Q653 WeakPolarHBondContact CD-O 3.48Å; P543-Q653 HydrophobicContact CG-CB 4.43Å; P543-Q653 WeakPolarHBondContact CG-O 3.39Å
544	L	81.9	Confident	78	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.016	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-75.9	145	176.6	-59.2	178.6	0	0	0	112	D530 I532 L537 F542	D530-L544 CarbonylContact O-C 3.57Å; D530-L544 VanDerWaalsContact O-CA 3.3Å; D530-L544 WeakPolarHBondContact O-CA 3.44Å; I532-L544 HydrophobicContact CG1-CB 3.96Å; L537-L544 HydrophobicContact CD2-CD1 4.09Å; F542-L544 HydrophobicContact CD2-CG 4.44Å
545	R	84.4	Confident	77.6	Confident	95 Å²	95	37 Å²	37	36%	0.358	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-123.1	173.3	-179.6	75.5	-176.2	83.9	-141.6	2.1	112.6	D530 T531 I532	D530-R545 PolarHBondContact O-N 3.38Å; D530-R545 IonicContact OD1-NE 2.71Å; D530-R545 IonicContact OD2-CZ 2.84Å; D530-R545 IonicContact OD2-NE 3.45Å; D530-R545 PolarHBondContact OD2-NE 2.71Å; D530-R545 IonicContact OD2-NH2 3.67Å; D530-R545 PolarHBondContact OD2-NH2 2.78Å; T531-R545 CarbonylContact C-O 3.34Å; T531-R545 WeakPolarHBondContact CA-O 3.29Å; T531-R545 HydrophobicContact CG2-CG 4.42Å; I532-R545 WeakPolarHBondContact CG1-O 3.27Å; I532-R545 PolarHBondContact N-O 3.43Å
546	W	84.7	Confident	77.3	Confident	1 Å²	1	39.2 Å²	39.2	0%	0.004	20%	0.201	C	C	.	.			trans	-89.2	137.2	164.9	-61	85.5	0	0	0	110.6	L351 L352 S356 L357 A456 I532 M533 I554	L351-W546 PolarHBondContact O-NE1 2.93Å; L352-W546 HydrophobicContact CD2-CZ2 4.18Å; S356-W546 WeakPolarHBondContact CB-O 3.46Å; S356-W546 WeakPolarHBondContact OG-CB 3.1Å; S356-W546 PolarHBondContact OG-N 2.81Å; L357-W546 HydrophobicContact CD1-CD2 4.37Å; L357-W546 HydrophobicContact CD1-CG 4.34Å; L357-W546 HydrophobicContact CD1-CZ2 4.42Å; L357-W546 HydrophobicContact CD2-CB 4.1Å; L357-W546 HydrophobicContact CD2-CD2 3.67Å; L357-W546 HydrophobicContact CD2-CE3 4.11Å; L357-W546 HydrophobicContact CD2-CG 3.68Å; L357-W546 HydrophobicContact CG-CB 4.19Å; L357-W546 VanDerWaalsContact CG-CD1 3.48Å; L357-W546 HydrophobicContact CG-CD2 3.99Å; L357-W546 HydrophobicContact CG-CG 3.63Å; A456-W546 HydrophobicContact CB-CZ2 4.47Å; A456-W546 WeakPolarHBondContact O-CH2 3.33Å; I532-W546 HydrophobicContact CB-CD2 4.46Å; I532-W546 HydrophobicContact CD1-CD2 3.96Å; I532-W546 HydrophobicContact CD1-CG 3.92Å; I532-W546 HydrophobicContact CD1-CZ2 4.34Å; I532-W546 HydrophobicContact CG2-CH2 4.19Å; I532-W546 HydrophobicContact CG2-CZ2 4.25Å; I532-W546 HydrophobicContact CG2-CZ3 4.32Å; M533-W546 HydrophobicContact CG-CE3 3.9Å; M533-W546 HydrophobicContact CG-CZ3 3.65Å; M533-W546 HydrophobicContact SD-CZ3 3.84Å; W546-I554 HydrophobicContact CE3-CD1 3.8Å; W546-I554 HydrophobicContact CH2-CD1 4.18Å; W546-I554 HydrophobicContact CZ3-CD1 3.53Å
547	S	80.7	Confident	77.7	Confident	6 Å²	6	35.7 Å²	35.7	4%	0.042	18%	0.178	C	C	.	.			trans	-70.2	178.5	178.9	77.3	0	0	0	0	113.4	D468 E479 S550 R551	D468-S547 VanDerWaalsContact CG-CB 3.48Å; D468-S547 WeakPolarHBondContact OD1-CB 3.32Å; D468-S547 PolarHBondContact OD1-OG 2.87Å; D468-S547 VanDerWaalsContact OD2-CB 3.29Å; D468-S547 WeakPolarHBondContact OD2-CB 3.5Å; D468-S547 PolarHBondContact OD2-OG 2.94Å; E479-S547 VanDerWaalsContact OE1-CB 3.25Å; E479-S547 WeakPolarHBondContact OE1-CB 3.25Å; E479-S547 PolarHBondContact OE1-OG 3.18Å; E479-S547 VanDerWaalsContact OE2-CB 3.29Å; E479-S547 WeakPolarHBondContact OE2-CB 3.5Å; S547-S550 WeakPolarHBondContact OG-CB 3.4Å; S547-S550 PolarHBondContact OG-N 3Å; S547-S550 PolarHBondContact OG-OG 3.4Å; S547-R551 WeakPolarHBondContact O-CB 3.42Å; S547-R551 PolarHBondContact O-N 3.03Å; S547-R551 PolarHBondContact O-NH2 2.75Å
548	A	70.2	Confident	77.8	Confident	24 Å²	24	34.4 Å²	34.4	20%	0.198	17%	0.172	C	C	.	.	H	α-helix	trans	-77.5	-39.5	174.3	0	0	0	0	0	111.4	E479 R551 Q552	E479-A548 WeakPolarHBondContact OE1-CA 3.28Å; E479-A548 WeakPolarHBondContact OE1-CB 3.4Å; E479-A548 PolarHBondContact OE1-N 3.34Å; A548-R551 WeakPolarHBondContact O-CB 3.48Å; A548-Q552 WeakPolarHBondContact O-CB 3.44Å; A548-Q552 PolarHBondContact O-N 3.2Å
549	C	76.8	Confident	77.3	Confident	27 Å²	27	34.9 Å²	34.9	18%	0.182	18%	0.176	C	C	.	.	H	α-helix	trans	-66.3	-46.6	176.3	-163.4	0	0	0	0	111.1	S474 C475 E479 Q552 A553	S474-C549 PolarHBondContact O-SG 3.35Å; S474-C549 VanDerWaalsContact O-SG 3.32Å; C475-C549 WeakPolarHBondContact CA-SG 3.46Å; C475-C549 HydrophobicContact CB-CB 3.64Å; C475-C549 WeakPolarHBondContact CB-SG 3.39Å; C475-C549 WeakPolarHBondContact SG-CB 3.37Å; C475-C549 CovalentContact SG-SG 2.04Å; C475-C549 PolarHBondContact SG-SG 2.04Å; E479-C549 HydrophobicContact CG-CB 4.35Å; E479-C549 PolarHBondContact OE1-N 2.94Å; C549-Q552 PolarHBondContact O-N 2.9Å; C549-A553 VanDerWaalsContact O-CB 3.24Å; C549-A553 WeakPolarHBondContact O-CB 3.45Å; C549-A553 PolarHBondContact O-N 3.31Å
550	S	82.4	Confident	76.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-42.2	176.8	-72.4	0	0	0	0	112	D468 M533 S547 Q552 A553 I554	D468-S550 PolarHBondContact OD1-OG 2.8Å; M533-S550 WeakPolarHBondContact CB-OG 2.83Å; M533-S550 VanDerWaalsContact CG-OG 3.26Å; M533-S550 WeakPolarHBondContact CG-OG 3.26Å; S547-S550 WeakPolarHBondContact OG-CB 3.4Å; S547-S550 PolarHBondContact OG-N 3Å; S547-S550 PolarHBondContact OG-OG 3.4Å; S550-Q552 PolarHBondContact O-N 3.2Å; S550-A553 PolarHBondContact O-N 2.95Å; S550-I554 WeakPolarHBondContact O-CB 3.4Å; S550-I554 VanDerWaalsContact O-CG1 3.24Å; S550-I554 WeakPolarHBondContact O-CG1 3.45Å; S550-I554 PolarHBondContact O-N 2.92Å
551	R	81.3	Confident	76.5	Confident	27 Å²	27	40.2 Å²	40.2	10%	0.102	21%	0.208	C	C	.	.	H	α-helix	trans	-53.2	-53.1	168.9	170.5	-166.3	-52.5	125.7	27.8	111.4	S356 H483 S547 A548 I554 H555	S356-R551 VanDerWaalsContact O-CZ 3.26Å; S356-R551 PolarHBondContact O-NE 3.46Å; S356-R551 PolarHBondContact O-NH2 2.77Å; H483-R551 PolarHBondContact NE2-NH1 2.87Å; H483-R551 VanDerWaalsContact NE2-NH1 3.12Å; H483-R551 PolarHBondContact NE2-NH2 2.68Å; S547-R551 WeakPolarHBondContact O-CB 3.42Å; S547-R551 PolarHBondContact O-N 3.03Å; S547-R551 PolarHBondContact O-NH2 2.75Å; A548-R551 WeakPolarHBondContact O-CB 3.48Å; R551-I554 PolarHBondContact O-N 3.37Å; R551-H555 VanDerWaalsContact O-CB 3.31Å; R551-H555 WeakPolarHBondContact O-CB 3.5Å; R551-H555 PolarHBondContact O-N 3.04Å
552	Q	72.7	Confident	76.3	Confident	107 Å²	107	39.1 Å²	39.1	50%	0.5	21%	0.212	S	C	.	.	H	α-helix	trans	-66.5	-39.7	-175	-173.9	64.3	1.4	0	0	111.7	A548 C549 S550 H555 L556	A548-Q552 WeakPolarHBondContact O-CB 3.44Å; A548-Q552 PolarHBondContact O-N 3.2Å; C549-Q552 PolarHBondContact O-N 2.9Å; S550-Q552 PolarHBondContact O-N 3.2Å; Q552-H555 PolarHBondContact O-N 2.79Å; Q552-L556 HydrophobicContact CG-CD1 4.15Å; Q552-L556 WeakPolarHBondContact O-CB 3.43Å; Q552-L556 VanDerWaalsContact O-CG 3.23Å; Q552-L556 WeakPolarHBondContact O-CG 3.38Å; Q552-L556 PolarHBondContact O-N 2.95Å
553	A	79.6	Confident	76.6	Confident	12 Å²	12	38 Å²	38	10%	0.099	21%	0.207	C	C	.	.	H	α-helix	trans	-67.1	-42.6	178.1	0	0	0	0	0	112.3	G464 C549 S550 L556 F557	G464-A553 WeakPolarHBondContact O-CB 3.25Å; C549-A553 VanDerWaalsContact O-CB 3.24Å; C549-A553 WeakPolarHBondContact O-CB 3.45Å; C549-A553 PolarHBondContact O-N 3.31Å; S550-A553 PolarHBondContact O-N 2.95Å; A553-L556 PolarHBondContact O-N 2.72Å; A553-F557 WeakPolarHBondContact O-CB 3.36Å; A553-F557 PolarHBondContact O-N 3.49Å
554	I	85.8	Confident	76.8	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-66.8	-40.7	174.4	-69.2	169.2	0	0	0	110.8	L357 I361 L463 A465 W546 S550 R551 F557 I558	L357-I554 HydrophobicContact CD2-CD1 3.87Å; L357-I554 HydrophobicContact CD2-CG2 4.43Å; I361-I554 HydrophobicContact CD1-CG2 4.08Å; L463-I554 HydrophobicContact CB-CD1 4.47Å; L463-I554 HydrophobicContact CB-CG1 4Å; L463-I554 HydrophobicContact CB-CG2 4.37Å; A465-I554 HydrophobicContact CB-CD1 4.07Å; A465-I554 HydrophobicContact CB-CG1 4.03Å; W546-I554 HydrophobicContact CE3-CD1 3.8Å; W546-I554 HydrophobicContact CH2-CD1 4.18Å; W546-I554 HydrophobicContact CZ3-CD1 3.53Å; S550-I554 WeakPolarHBondContact O-CB 3.4Å; S550-I554 VanDerWaalsContact O-CG1 3.24Å; S550-I554 WeakPolarHBondContact O-CG1 3.45Å; S550-I554 PolarHBondContact O-N 2.92Å; R551-I554 PolarHBondContact O-N 3.37Å; I554-F557 PolarHBondContact O-N 2.95Å; I554-I558 HydrophobicContact CG2-CD1 3.66Å; I554-I558 HydrophobicContact CG2-CG1 4.35Å; I554-I558 WeakPolarHBondContact O-CB 3.31Å; I554-I558 VanDerWaalsContact O-CG1 3.32Å; I554-I558 WeakPolarHBondContact O-CG1 3.47Å; I554-I558 PolarHBondContact O-N 2.93Å
555	H	75.6	Confident	76.9	Confident	55 Å²	55	39 Å²	39	26%	0.255	21%	0.211	S	C	.	.	H	α-helix	trans	-59.5	-49.9	174.5	-171	-79.4	0	0	0	111.5	R551 Q552 F557 I558 E559	R551-H555 VanDerWaalsContact O-CB 3.31Å; R551-H555 WeakPolarHBondContact O-CB 3.5Å; R551-H555 PolarHBondContact O-N 3.04Å; Q552-H555 PolarHBondContact O-N 2.79Å; H555-F557 VanDerWaalsContact C-N 3.28Å; H555-F557 PolarHBondContact O-N 2.91Å; H555-I558 PolarHBondContact O-N 3.19Å; H555-E559 IonicContact CE1-OE2 2.71Å; H555-E559 PolarHBondContact CE1-OE2 2.81Å; H555-E559 IonicContact ND1-OE2 3.11Å; H555-E559 PolarHBondContact O-N 3.1Å
556	L	70.7	Confident	77	Confident	95 Å²	95	34.5 Å²	34.5	50%	0.497	19%	0.194	S	C	.	.	H	α-helix	trans	-62.2	-32.7	177.2	-72.5	168.5	0	0	0	112.8	Q552 A553 S560	Q552-L556 HydrophobicContact CG-CD1 4.15Å; Q552-L556 WeakPolarHBondContact O-CB 3.43Å; Q552-L556 VanDerWaalsContact O-CG 3.23Å; Q552-L556 WeakPolarHBondContact O-CG 3.38Å; Q552-L556 PolarHBondContact O-N 2.95Å; A553-L556 PolarHBondContact O-N 2.72Å; L556-S560 PolarHBondContact O-N 3.28Å
557	F	81.4	Confident	76.5	Confident	9 Å²	9	37 Å²	37	4%	0.039	20%	0.203	C	C	.	.	H	α-helix	trans	-71.3	-44.9	173.5	-178.8	-95.7	0	0	0	112	R432 M434 L463 A553 I554 H555 E559 S560 A563	R432-F557 HydrophobicContact CB-CD2 4.32Å; R432-F557 HydrophobicContact CB-CE2 4.14Å; R432-F557 HydrophobicContact CG-CD2 4.05Å; R432-F557 HydrophobicContact CG-CE2 4.37Å; M434-F557 HydrophobicContact CB-CE1 3.82Å; M434-F557 HydrophobicContact CB-CZ 3.87Å; M434-F557 HydrophobicContact CG-CE1 4.39Å; L463-F557 HydrophobicContact CD2-CD1 4.4Å; L463-F557 HydrophobicContact CD2-CE1 4.39Å; L463-F557 WeakPolarHBondContact O-CB 3.26Å; L463-F557 WeakPolarHBondContact O-CD1 3.48Å; L463-F557 WeakPolarHBondContact O-CG 3.28Å; A553-F557 WeakPolarHBondContact O-CB 3.36Å; A553-F557 PolarHBondContact O-N 3.49Å; I554-F557 PolarHBondContact O-N 2.95Å; H555-F557 VanDerWaalsContact C-N 3.28Å; H555-F557 PolarHBondContact O-N 2.91Å; F557-E559 VanDerWaalsContact C-N 3.32Å; F557-E559 PolarHBondContact O-N 3.48Å; F557-S560 VanDerWaalsContact O-CB 3.27Å; F557-S560 WeakPolarHBondContact O-CB 3.16Å; F557-S560 PolarHBondContact O-N 2.83Å; F557-S560 PolarHBondContact O-OG 3.12Å; F557-A563 HydrophobicContact CD1-CB 3.99Å; F557-A563 HydrophobicContact CE1-CB 3.77Å; F557-A563 WeakPolarHBondContact O-CB 3.39Å
558	I	79	Confident	75.9	Confident	6 Å²	6	42.4 Å²	42.4	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-63.9	-34.5	179.4	-74.1	173.7	0	0	0	112.3	H317 N359 I361 I554 H555 S560 R567	H317-I558 WeakPolarHBondContact CE1-CG2 3.25Å; H317-I558 WeakPolarHBondContact NE2-CG2 3.3Å; N359-I558 WeakPolarHBondContact ND2-CD1 3.08Å; I361-I558 HydrophobicContact CD1-CD1 3.82Å; I361-I558 HydrophobicContact CG1-CD1 4.15Å; I554-I558 HydrophobicContact CG2-CD1 3.66Å; I554-I558 HydrophobicContact CG2-CG1 4.35Å; I554-I558 WeakPolarHBondContact O-CB 3.31Å; I554-I558 VanDerWaalsContact O-CG1 3.32Å; I554-I558 WeakPolarHBondContact O-CG1 3.47Å; I554-I558 PolarHBondContact O-N 2.93Å; H555-I558 PolarHBondContact O-N 3.19Å; I558-S560 VanDerWaalsContact C-N 3.28Å; I558-S560 PolarHBondContact O-N 3.49Å; I558-R567 PolarHBondContact O-NH2 3.1Å
559	E	66.5	Low	75.7	Confident	68 Å²	68	46.8 Å²	46.8	32%	0.318	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-5.5	172.7	-69.8	-144.5	103.5	0	0	114.6	K254 H555 F557	K254-E559 IonicContact NZ-OE1 2.74Å; K254-E559 PolarHBondContact NZ-OE1 3.27Å; H555-E559 IonicContact CE1-OE2 2.71Å; H555-E559 PolarHBondContact CE1-OE2 2.81Å; H555-E559 IonicContact ND1-OE2 3.11Å; H555-E559 PolarHBondContact O-N 3.1Å; F557-E559 VanDerWaalsContact C-N 3.32Å; F557-E559 PolarHBondContact O-N 3.48Å
560	S	67.6	Low	74.9	Confident	41 Å²	41	48.7 Å²	48.7	29%	0.287	25%	0.251	S	S	.	.	S	Bend	trans	-86.9	163.4	174.5	86.8	0	0	0	0	112.1	L556 F557 I558 G562 A563	L556-S560 PolarHBondContact O-N 3.28Å; F557-S560 VanDerWaalsContact O-CB 3.27Å; F557-S560 WeakPolarHBondContact O-CB 3.16Å; F557-S560 PolarHBondContact O-N 2.83Å; F557-S560 PolarHBondContact O-OG 3.12Å; I558-S560 VanDerWaalsContact C-N 3.28Å; I558-S560 PolarHBondContact O-N 3.49Å; S560-G562 PolarHBondContact O-N 2.84Å; S560-G562 PolarHBondContact OG-N 2.91Å; S560-A563 PolarHBondContact O-N 2.95Å
561	N	66.2	Low	74.1	Confident	134 Å²	134	49.5 Å²	49.5	72%	0.717	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-67	-10.8	171.8	-69.5	-9.8	0	0	0	113.3	N564	N561-N564 PolarHBondContact O-ND2 3.45Å; N561-N564 VanDerWaalsContact O-ND2 3.13Å
562	G	67.5	Low	73.2	Confident	33 Å²	33	55.7 Å²	55.7	34%	0.34	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-67.3	-33.6	177	0	0	0	0	0	113.1	C435 S560 N564	C435-G562 VanDerWaalsContact CB-O 3.26Å; C435-G562 WeakPolarHBondContact CB-O 3.19Å; C435-G562 PolarHBondContact SG-O 3.26Å; S560-G562 PolarHBondContact O-N 2.84Å; S560-G562 PolarHBondContact OG-N 2.91Å; G562-N564 VanDerWaalsContact C-N 3.29Å; G562-N564 PolarHBondContact O-N 3.35Å
563	A	79.2	Confident	72.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-85.8	11.1	-177.5	0	0	0	0	0	114.7	F557 S560 C565 L566	F557-A563 HydrophobicContact CD1-CB 3.99Å; F557-A563 HydrophobicContact CE1-CB 3.77Å; F557-A563 WeakPolarHBondContact O-CB 3.39Å; S560-A563 PolarHBondContact O-N 2.95Å; A563-C565 PolarHBondContact O-N 2.9Å; A563-C565 VanDerWaalsContact O-N 3.12Å; A563-L566 HydrophobicContact CB-CD1 4.23Å; A563-L566 WeakPolarHBondContact O-CB 3.05Å; A563-L566 PolarHBondContact O-N 3.32Å
564	N	78.6	Confident	72.8	Confident	54 Å²	54	56.9 Å²	56.9	29%	0.289	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-64.3	-19	-169.1	-84.4	-19.4	0	0	0	115.3	N561 G562 R567	N561-N564 PolarHBondContact O-ND2 3.45Å; N561-N564 VanDerWaalsContact O-ND2 3.13Å; G562-N564 VanDerWaalsContact C-N 3.29Å; G562-N564 PolarHBondContact O-N 3.35Å; N564-R567 PolarHBondContact OD1-NH1 3.21Å; N564-R567 VanDerWaalsContact OD1-NH1 3.14Å
565	C	85	Confident	72.8	Confident	22 Å²	22	60.8 Å²	60.8	15%	0.149	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-68	-39.1	172.8	67.9	0	0	0	0	111.8	D411 C435 A563 R567 Y568	D411-C565 WeakPolarHBondContact OD1-CB 3.27Å; D411-C565 PolarHBondContact OD1-SG 2.87Å; C435-C565 WeakPolarHBondContact CA-SG 3.47Å; C435-C565 HydrophobicContact CB-CB 3.7Å; C435-C565 WeakPolarHBondContact CB-SG 3.42Å; C435-C565 WeakPolarHBondContact SG-CB 3.33Å; C435-C565 PolarHBondContact SG-N 2.78Å; C435-C565 CovalentContact SG-SG 2.02Å; C435-C565 PolarHBondContact SG-SG 2.83Å; A563-C565 PolarHBondContact O-N 2.9Å; A563-C565 VanDerWaalsContact O-N 3.12Å; C565-R567 PolarHBondContact O-N 2.03Å; C565-Y568 PolarHBondContact O-N 3.31Å; C565-Y568 VanDerWaalsContact O-N 3.17Å
566	L	85.6	Confident	73.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-66.9	-6.3	-174	-50.7	-179.6	0	0	0	114.4	H317 T318 V319 D411 M434 L463 A563	H317-L566 CarbonylContact C-O 3.54Å; H317-L566 VanDerWaalsContact CA-O 3.31Å; H317-L566 WeakPolarHBondContact CA-O 3Å; H317-L566 HydrophobicContact CB-CB 4.22Å; T318-L566 PolarHBondContact N-O 3.48Å; T318-L566 VanDerWaalsContact O-CA 3.26Å; T318-L566 WeakPolarHBondContact O-CA 3.32Å; T318-L566 WeakPolarHBondContact O-CB 3.37Å; T318-L566 VanDerWaalsContact O-CD2 3.24Å; T318-L566 WeakPolarHBondContact O-CD2 3.21Å; V319-L566 HydrophobicContact CB-CD2 4.44Å; V319-L566 HydrophobicContact CG2-CD2 3.86Å; D411-L566 HydrophobicContact CB-CD2 4.2Å; M434-L566 HydrophobicContact CG-CD1 4.05Å; M434-L566 HydrophobicContact CG-CD2 3.84Å; M434-L566 HydrophobicContact CG-CG 4.21Å; M434-L566 HydrophobicContact SD-CD2 3.98Å; L463-L566 HydrophobicContact CD2-CD1 3.73Å; A563-L566 HydrophobicContact CB-CD1 4.23Å; A563-L566 WeakPolarHBondContact O-CB 3.05Å; A563-L566 PolarHBondContact O-N 3.32Å
567	R	74.2	Confident	74	Confident	53 Å²	53	55.5 Å²	55.5	20%	0.2	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-93.9	-4.3	-179.5	-62	-173.7	-171.3	148.8	13.2	113.2	I558 N564 C565	I558-R567 PolarHBondContact O-NH2 3.1Å; N564-R567 PolarHBondContact OD1-NH1 3.21Å; N564-R567 VanDerWaalsContact OD1-NH1 3.14Å; C565-R567 PolarHBondContact O-N 2.03Å
568	Y	68.5	Low	74	Confident	120 Å²	120	55.6 Å²	55.6	47%	0.471	30%	0.295	S	S	.	.	S	Bend	trans	-141.6	138.8	-179.5	-51.9	-80.6	0	0	0	109.5	C565 N570	C565-Y568 PolarHBondContact O-N 3.31Å; C565-Y568 VanDerWaalsContact O-N 3.17Å; Y568-N570 PolarHBondContact O-N 3.1Å; Y568-N570 PolarHBondContact O-ND2 2.74Å
569	L	65.8	Low	74	Confident	117 Å²	117	62.3 Å²	62.3	61%	0.613	33%	0.327	S	S	*	.			trans	-73	121.8	168.3	-69.4	153.4	0	0	0	108.4	T318 N364	T318-L569 HydrophobicContact CG2-CD2 4.02Å; N364-L569 VanDerWaalsContact ND2-CD2 3.3Å; N364-L569 WeakPolarHBondContact ND2-CD2 3.43Å
570	N	60.9	Low	74.8	Confident	66 Å²	66	63.7 Å²	63.7	35%	0.353	33%	0.332	S	S	.	.			trans	-107.4	-15.9	-176	-46.1	-89.3	0	0	0	112.5	E320 T409 Y568	E320-N570 VanDerWaalsContact CD-N 3.3Å; E320-N570 PolarHBondContact OE1-N 2.84Å; E320-N570 WeakPolarHBondContact OE2-CA 3.44Å; E320-N570 WeakPolarHBondContact OE2-CB 3.09Å; E320-N570 PolarHBondContact OE2-N 3.36Å; E320-N570 PolarHBondContact OE2-ND2 2.97Å; T409-N570 WeakPolarHBondContact OG1-CB 3.35Å; T409-N570 PolarHBondContact OG1-O 2.87Å; Y568-N570 PolarHBondContact O-N 3.1Å; Y568-N570 PolarHBondContact O-ND2 2.74Å
571	S	63.9	Low	75.6	Confident	17 Å²	17	61.7 Å²	61.7	12%	0.119	32%	0.318	C	S	.	.			trans	-92.7	135.2	176.4	-171.4	0	0	0	0	112.5	E320 T573	E320-S571 WeakPolarHBondContact OE1-CB 3.44Å; E320-S571 PolarHBondContact OE1-N 2.81Å; S571-T573 WeakPolarHBondContact CB-O 3.18Å; S571-T573 PolarHBondContact O-N 2.88Å; S571-T573 PolarHBondContact OG-N 3Å; S571-T573 PolarHBondContact OG-O 2.79Å
572	E	63.3	Low	75.9	Confident	158 Å²	158	56.1 Å²	56.1	74%	0.738	29%	0.291	S	S	*	.	S	Bend	trans	-73.4	-13.1	170.2	-63.1	-175.1	161.2	0	0	112.5
573	T	67	Low	76.3	Confident	81 Å²	81	60 Å²	60	50%	0.497	30%	0.3	S	S	.	.			trans	-137.4	139.5	-175.5	54.4	0	0	0	0	112.8	S571	S571-T573 WeakPolarHBondContact CB-O 3.18Å; S571-T573 PolarHBondContact O-N 2.88Å; S571-T573 PolarHBondContact OG-N 3Å; S571-T573 PolarHBondContact OG-O 2.79Å
574	T	77.2	Confident	76.1	Confident	62 Å²	62	60.7 Å²	60.7	38%	0.38	30%	0.303	S	S	.	.			trans	-131	131.4	170	53.5	0	0	0	0	110.6	N364 V365	N364-T574 HydrophobicContact CB-CG2 3.91Å; V365-T574 CarbonylContact O-C 3.47Å
575	F	84.3	Confident	75.6	Confident	85 Å²	85	59.1 Å²	59.1	37%	0.373	30%	0.296	S	S	.	.	S	Bend	trans	-79.1	-42.7	179.6	-166.2	-88.3	0	0	0	111.6	V365 V366 I368 K580	V365-F575 HydrophobicContact CG1-CB 4.49Å; V365-F575 PolarHBondContact O-N 3.48Å; V366-F575 WeakPolarHBondContact O-CB 3.43Å; V366-F575 PolarHBondContact O-N 2.99Å; V366-F575 VanDerWaalsContact O-N 3.13Å; I368-F575 HydrophobicContact CD1-CD1 3.71Å; I368-F575 HydrophobicContact CD1-CE1 3.54Å; I368-F575 HydrophobicContact CD1-CZ 4.37Å; I368-F575 HydrophobicContact CG1-CD1 3.8Å; I368-F575 HydrophobicContact CG1-CE1 3.91Å; I368-F575 HydrophobicContact CG1-CG 4.3Å; I368-F575 HydrophobicContact CG1-CZ 4.49Å; F575-K580 PolarHBondContact O-NZ 2.79Å
576	Y	88.5	Confident	74.7	Confident	10 Å²	10	61.2 Å²	61.2	4%	0.039	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-127	109.7	165.9	-52.7	-41.5	0	0	0	110	D338 L342 N364 V365 I368 K580 L581	D338-Y576 PolarHBondContact O-OH 2.71Å; L342-Y576 HydrophobicContact CB-CE1 4.41Å; L342-Y576 HydrophobicContact CB-CE2 3.98Å; L342-Y576 HydrophobicContact CD1-CD1 3.84Å; L342-Y576 HydrophobicContact CD1-CD2 3.95Å; L342-Y576 HydrophobicContact CD1-CE1 3.83Å; L342-Y576 HydrophobicContact CD1-CE2 3.92Å; L342-Y576 HydrophobicContact CD1-CG 3.93Å; L342-Y576 HydrophobicContact CD2-CE1 4.29Å; L342-Y576 HydrophobicContact CG-CE1 4.4Å; N364-Y576 CarbonylContact C-O 3.5Å; N364-Y576 WeakPolarHBondContact CA-O 3.48Å; V365-Y576 HydrophobicContact CB-CD2 4.11Å; V365-Y576 HydrophobicContact CB-CG 4.4Å; V365-Y576 HydrophobicContact CG1-CD2 4.4Å; V365-Y576 HydrophobicContact CG2-CD2 4.07Å; V365-Y576 PolarHBondContact N-O 3.12Å; V365-Y576 PolarHBondContact O-N 2.89Å; V365-Y576 VanDerWaalsContact O-N 3.15Å; I368-Y576 HydrophobicContact CD1-CD2 4.42Å; I368-Y576 HydrophobicContact CD1-CE2 3.65Å; Y576-K580 HydrophobicContact CD1-CD 4Å; Y576-K580 VanDerWaalsContact CD1-CE 3.47Å; Y576-L581 HydrophobicContact CD2-CD2 4.11Å; Y576-L581 HydrophobicContact CG-CD2 4.1Å
577	S	84.6	Confident	73.8	Confident	30 Å²	30	66.1 Å²	66.1	21%	0.21	33%	0.331	C	S	.	.			trans	-73.5	158.1	169.2	64.2	0	0	0	0	111.4	N364 E579 K580 L581	N364-S577 WeakPolarHBondContact OD1-CA 3.47Å; S577-E579 PolarHBondContact O-N 3.16Å; S577-E579 VanDerWaalsContact O-N 3.14Å; S577-K580 PolarHBondContact O-N 3.16Å; S577-K580 PolarHBondContact OG-N 2.61Å; S577-L581 WeakPolarHBondContact O-CG 3.26Å; S577-L581 PolarHBondContact O-N 3.4Å
578	A	80.3	Confident	73.6	Confident	10 Å²	10	67.9 Å²	67.9	8%	0.083	34%	0.344	C	S	.	.	H	α-helix	trans	-54	-32	174.1	0	0	0	0	0	113	Q362 L363 N364 A582	Q362-A578 HydrophobicContact CB-CB 4.14Å; L363-A578 WeakPolarHBondContact O-CA 3.19Å; L363-A578 WeakPolarHBondContact O-CB 3.36Å; L363-A578 PolarHBondContact O-N 2.87Å; N364-A578 PolarHBondContact OD1-N 2.86Å; A578-A582 WeakPolarHBondContact O-CB 3.32Å; A578-A582 PolarHBondContact O-N 3.34Å
579	E	79	Confident	73.9	Confident	148 Å²	148	62.7 Å²	62.7	69%	0.692	32%	0.324	S	S	*	.	H	α-helix	trans	-66.8	-49	173.1	-60.3	172.2	154.2	0	0	111.8	S577 L581 A582 H583	S577-E579 PolarHBondContact O-N 3.16Å; S577-E579 VanDerWaalsContact O-N 3.14Å; E579-L581 VanDerWaalsContact C-N 3.3Å; E579-L581 PolarHBondContact O-N 2.75Å; E579-A582 WeakPolarHBondContact O-CB 3.42Å; E579-A582 PolarHBondContact O-N 3.37Å; E579-A582 VanDerWaalsContact O-N 3.1Å; E579-H583 PolarHBondContact O-CD2 3.47Å; E579-H583 PolarHBondContact O-N 3.36Å
580	K	83	Confident	74.7	Confident	96 Å²	96	57.7 Å²	57.7	42%	0.417	30%	0.298	S	S	.	.	H	α-helix	trans	-62.9	-36.4	178.3	-178.1	170.8	169.5	-168.7	0	111.9	F575 Y576 S577 H584	F575-K580 PolarHBondContact O-NZ 2.79Å; Y576-K580 HydrophobicContact CD1-CD 4Å; Y576-K580 VanDerWaalsContact CD1-CE 3.47Å; S577-K580 PolarHBondContact O-N 3.16Å; S577-K580 PolarHBondContact OG-N 2.61Å; K580-H584 PolarHBondContact O-N 2.92Å; K580-H584 VanDerWaalsContact O-N 3.13Å
581	L	84.5	Confident	75.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.2	-40.5	171.7	-62.6	178.5	0	0	0	111.8	L342 M345 T346 L363 Y576 S577 E579 H584 S585	L342-L581 HydrophobicContact CD1-CD2 3.68Å; M345-L581 HydrophobicContact CB-CD2 4.01Å; T346-L581 WeakPolarHBondContact CG2-O 3.47Å; L363-L581 HydrophobicContact CB-CD1 4.42Å; L363-L581 HydrophobicContact CD2-CD1 4.12Å; L363-L581 HydrophobicContact CG-CD1 4.28Å; Y576-L581 HydrophobicContact CD2-CD2 4.11Å; Y576-L581 HydrophobicContact CG-CD2 4.1Å; S577-L581 WeakPolarHBondContact O-CG 3.26Å; S577-L581 PolarHBondContact O-N 3.4Å; E579-L581 VanDerWaalsContact C-N 3.3Å; E579-L581 PolarHBondContact O-N 2.75Å; L581-H584 PolarHBondContact O-N 2.98Å; L581-S585 PolarHBondContact O-N 2.85Å
582	A	73.2	Confident	76.8	Confident	17 Å²	17	59.1 Å²	59.1	14%	0.14	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-44.4	175.5	0	0	0	0	0	112.4	A578 E579 S585	A578-A582 WeakPolarHBondContact O-CB 3.32Å; A578-A582 PolarHBondContact O-N 3.34Å; E579-A582 WeakPolarHBondContact O-CB 3.42Å; E579-A582 PolarHBondContact O-N 3.37Å; E579-A582 VanDerWaalsContact O-N 3.1Å; A582-S585 VanDerWaalsContact O-CB 3.29Å; A582-S585 WeakPolarHBondContact O-CB 3.45Å; A582-S585 PolarHBondContact O-N 3.3Å
583	H	76.2	Confident	77.8	Confident	114 Å²	114	54.8 Å²	54.8	53%	0.528	28%	0.283	S	S	.	.	H	α-helix	trans	-60.8	-46.1	175.6	-87	-72.9	0	0	0	112.4	E579 S585 M586 D587	E579-H583 PolarHBondContact O-CD2 3.47Å; E579-H583 PolarHBondContact O-N 3.36Å; H583-S585 PolarHBondContact O-N 3.09Å; H583-S585 VanDerWaalsContact O-N 3.17Å; H583-M586 PolarHBondContact O-N 3Å; H583-D587 IonicContact CG-OD2 2.75Å; H583-D587 IonicContact ND1-OD2 2.68Å; H583-D587 PolarHBondContact ND1-OD2 2.86Å; H583-D587 WeakPolarHBondContact O-CB 3.44Å; H583-D587 PolarHBondContact O-N 3Å
584	H	75.6	Confident	78.8	Confident	14 Å²	14	51 Å²	51	7%	0.065	26%	0.259	C	S	.	.	H	α-helix	trans	-60	-29.7	177.4	-163	-80.9	0	0	0	112.7	L342 K580 L581 M586 N588	L342-H584 HydrophobicContact CD1-CB 4.36Å; L342-H584 WeakPolarHBondContact CD2-CD2 3.38Å; L342-H584 HydrophobicContact CG-CB 4.34Å; L342-H584 VanDerWaalsContact CG-CD2 3.46Å; L342-H584 WeakPolarHBondContact CG-CD2 3.5Å; K580-H584 PolarHBondContact O-N 2.92Å; K580-H584 VanDerWaalsContact O-N 3.13Å; L581-H584 PolarHBondContact O-N 2.98Å; H584-M586 PolarHBondContact O-N 2.9Å; H584-N588 PolarHBondContact CE1-O 2.84Å; H584-N588 PolarHBondContact ND1-O 2.04Å; H584-N588 CarbonylContact O-C 3.57Å; H584-N588 PolarHBondContact O-N 3.41Å
585	S	67.3	Low	79.4	Confident	22 Å²	22	51.3 Å²	51.3	15%	0.154	26%	0.264	C	S	.	.	H	α-helix	trans	-67.6	-18.5	175	-162	0	0	0	0	114.5	L581 A582 H583	L581-S585 PolarHBondContact O-N 2.85Å; A582-S585 VanDerWaalsContact O-CB 3.29Å; A582-S585 WeakPolarHBondContact O-CB 3.45Å; A582-S585 PolarHBondContact O-N 3.3Å; H583-S585 PolarHBondContact O-N 3.09Å; H583-S585 VanDerWaalsContact O-N 3.17Å
586	M	65.6	Low	79.7	Confident	66 Å²	66	48.7 Å²	48.7	33%	0.325	25%	0.254	S	S	.	.	H	α-helix	trans	-111.9	-46.1	-174.5	-58	179.7	-157	0	0	111.6	H583 H584 P665	H583-M586 PolarHBondContact O-N 3Å; H584-M586 PolarHBondContact O-N 2.9Å; M586-P665 HydrophobicContact CE-CB 4.45Å; M586-P665 HydrophobicContact CE-CG 3.42Å; M586-P665 VanDerWaalsContact CE-CG 3.42Å; M586-P665 HydrophobicContact SD-CG 3.74Å
587	D	68	Low	79.8	Confident	103 Å²	103	51.7 Å²	51.7	55%	0.551	27%	0.27	S	S	*	.	H	α-helix	trans	-88.8	-33	-169.8	-58.6	-43.4	0	0	0	112.8	H583	H583-D587 IonicContact CG-OD2 2.75Å; H583-D587 IonicContact ND1-OD2 2.68Å; H583-D587 PolarHBondContact ND1-OD2 2.86Å; H583-D587 WeakPolarHBondContact O-CB 3.44Å; H583-D587 PolarHBondContact O-N 3Å
588	N	69	Low	80	Confident	90 Å²	90	52.4 Å²	52.4	48%	0.481	27%	0.27	S	S	.	.	S	Bend	trans	-131.8	63.6	-172.6	-75	-29.7	0	0	0	111.2	H584 I593	H584-N588 PolarHBondContact CE1-O 2.84Å; H584-N588 PolarHBondContact ND1-O 2.04Å; H584-N588 CarbonylContact O-C 3.57Å; H584-N588 PolarHBondContact O-N 3.41Å; N588-I593 HydrophobicContact CB-CD1 4.49Å
589	R	75.1	Confident	80.6	Confident	11 Å²	11	52 Å²	52	4%	0.042	27%	0.266	C	S	.	.			trans	-64.4	130.8	-174.3	-58.3	-172	-176.9	-97.5	-0.3	110.9	G591 Q592 E641 W650 N662	R589-G591 VanDerWaalsContact C-N 3.3Å; R589-G591 PolarHBondContact O-N 3.34Å; R589-G591 VanDerWaalsContact O-N 3.1Å; R589-Q592 HydrophobicContact CB-CG 4.24Å; R589-Q592 WeakPolarHBondContact O-CB 3.06Å; R589-Q592 PolarHBondContact O-N 2.81Å; R589-E641 CarbonylContact C-O 3.59Å; R589-E641 WeakPolarHBondContact CB-O 3.26Å; R589-E641 IonicContact NH1-OE2 2.74Å; R589-E641 PolarHBondContact NH1-OE2 3.48Å; R589-E641 VanDerWaalsContact NH1-OE2 3.17Å; R589-W650 HydrophobicContact CG-CZ3 4.36Å; R589-W650 VanDerWaalsContact NE-CH2 3.34Å; R589-N662 PolarHBondContact NH2-OD1 3.01Å
590	P	82.2	Confident	81.1	Confident	11 Å²	11	44.9 Å²	44.9	7%	0.071	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-32.3	-164.9	-25.6	35	0	0	0	115	S343 F449 Q592 I593 F594 A640	S343-P590 VanDerWaalsContact CB-CG 3.49Å; S343-P590 WeakPolarHBondContact OG-CB 3.38Å; S343-P590 WeakPolarHBondContact OG-CG 3.29Å; F449-P590 HydrophobicContact CD1-CB 4.43Å; F449-P590 HydrophobicContact CE1-CB 4.01Å; P590-Q592 PolarHBondContact O-N 3.17Å; P590-I593 WeakPolarHBondContact O-CB 3.38Å; P590-I593 PolarHBondContact O-N 2.95Å; P590-F594 HydrophobicContact CB-CD2 4.16Å; P590-F594 HydrophobicContact CB-CE2 4.48Å; P590-F594 WeakPolarHBondContact O-CD2 3.13Å; P590-F594 PolarHBondContact O-N 2.78Å; P590-A640 HydrophobicContact CB-CB 4.2Å
591	G	83.7	Confident	81.4	Confident	2 Å²	2	42.2 Å²	42.2	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-72.5	-9	176.7	0	0	0	0	0	115.4	R589 E641 T643	R589-G591 VanDerWaalsContact C-N 3.3Å; R589-G591 PolarHBondContact O-N 3.34Å; R589-G591 VanDerWaalsContact O-N 3.1Å; G591-E641 WeakPolarHBondContact CA-O 3.34Å; G591-E641 PolarHBondContact N-O 3.04Å; G591-T643 WeakPolarHBondContact CA-OG1 3.25Å
592	Q	85.3	Confident	81.6	Confident	111 Å²	111	42.5 Å²	42.5	52%	0.519	22%	0.223	S	C	.	.	H	α-helix	trans	-79.9	-30.3	166	-58.6	177.4	-77.8	0	0	111.4	R589 P590	R589-Q592 HydrophobicContact CB-CG 4.24Å; R589-Q592 WeakPolarHBondContact O-CB 3.06Å; R589-Q592 PolarHBondContact O-N 2.81Å; P590-Q592 PolarHBondContact O-N 3.17Å
593	I	84.3	Confident	82.3	Confident	68 Å²	68	42.4 Å²	42.4	35%	0.349	22%	0.221	S	C	.	.	H	α-helix	trans	-84.7	-42	179	-52.3	174.2	0	0	0	110	N588 P590	N588-I593 HydrophobicContact CB-CD1 4.49Å; P590-I593 WeakPolarHBondContact O-CB 3.38Å; P590-I593 PolarHBondContact O-N 2.95Å
594	F	87.6	Confident	82.8	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	21%	0.207	C	C	.	.	S	Bend	trans	-112.3	102.4	-172.9	-52.4	-62.4	0	0	0	110.5	F336 E339 F449 P590 K598 Q599 F602	F336-F594 HydrophobicContact CB-CE1 4.1Å; F336-F594 AromaticContact CD1-CE1 3.91Å; F336-F594 HydrophobicContact CD1-CE1 3.91Å; F336-F594 HydrophobicContact CG-CE1 4.21Å; E339-F594 HydrophobicContact CB-CZ 3.93Å; F449-F594 AromaticContact CE1-CD2 3.89Å; F449-F594 HydrophobicContact CE1-CD2 3.89Å; F449-F594 HydrophobicContact CE1-CE2 4.17Å; F449-F594 HydrophobicContact CE2-CB 4.27Å; F449-F594 HydrophobicContact CE2-CD2 4.26Å; F449-F594 HydrophobicContact CE2-CG 4.42Å; F449-F594 HydrophobicContact CZ-CB 4.12Å; F449-F594 AromaticContact CZ-CD2 3.31Å; F449-F594 HydrophobicContact CZ-CD2 3.31Å; F449-F594 AromaticContact CZ-CE2 3.86Å; F449-F594 HydrophobicContact CZ-CE2 3.86Å; F449-F594 AromaticContact CZ-CG 3.82Å; F449-F594 HydrophobicContact CZ-CG 3.82Å; P590-F594 HydrophobicContact CB-CD2 4.16Å; P590-F594 HydrophobicContact CB-CE2 4.48Å; P590-F594 WeakPolarHBondContact O-CD2 3.13Å; P590-F594 PolarHBondContact O-N 2.78Å; F594-K598 HydrophobicContact CB-CB 4.44Å; F594-K598 HydrophobicContact CB-CG 4.48Å; F594-K598 HydrophobicContact CD1-CG 4.12Å; F594-Q599 HydrophobicContact CB-CG 4.21Å; F594-Q599 PolarHBondContact O-NE2 2.85Å; F594-F602 HydrophobicContact CD1-CD2 4.44Å; F594-F602 AromaticContact CD1-CE2 3.55Å; F594-F602 HydrophobicContact CD1-CE2 3.55Å; F594-F602 HydrophobicContact CD1-CZ 4.23Å; F594-F602 AromaticContact CE1-CE2 3.65Å; F594-F602 HydrophobicContact CE1-CE2 3.65Å; F594-F602 HydrophobicContact CE1-CZ 4.16Å; F594-F602 HydrophobicContact CG-CE2 4.15Å; F594-F602 HydrophobicContact CZ-CE2 4.33Å
595	S	89.5	Confident	83.2	Confident	69 Å²	69	39.6 Å²	39.6	48%	0.483	21%	0.209	S	C	.	.			trans	-60.2	161.7	174.1	69.2	0	0	0	0	112.2	N597 K598 Q599	S595-N597 VanDerWaalsContact C-N 3.26Å; S595-N597 PolarHBondContact O-N 3.03Å; S595-K598 CarbonylContact O-C 3.53Å; S595-K598 WeakPolarHBondContact O-CA 3Å; S595-K598 WeakPolarHBondContact O-CB 3.22Å; S595-K598 PolarHBondContact O-N 2.81Å; S595-K598 PolarHBondContact OG-N 3.07Å; S595-Q599 WeakPolarHBondContact O-CG 3.45Å; S595-Q599 PolarHBondContact O-N 2.91Å
596	L	90.8	Very high	84	Confident	30 Å²	30	42.1 Å²	42.1	16%	0.157	22%	0.22	C	C	.	.	H	α-helix	trans	-53.3	-40.5	179.8	-73.7	168	0	0	0	113.4	Q599 C600 F611 L622 W639 T643	L596-Q599 WeakPolarHBondContact O-CB 3.06Å; L596-Q599 PolarHBondContact O-N 3.43Å; L596-C600 PolarHBondContact O-N 2.03Å; L596-C600 PolarHBondContact O-SG 3.47Å; L596-F611 HydrophobicContact CB-CB 3.68Å; L596-F611 HydrophobicContact CB-CD1 4.38Å; L596-F611 HydrophobicContact CB-CD2 4.05Å; L596-F611 HydrophobicContact CB-CG 3.77Å; L596-F611 HydrophobicContact CD1-CD1 3.91Å; L596-F611 HydrophobicContact CD1-CD2 4.12Å; L596-F611 HydrophobicContact CD1-CE1 3.98Å; L596-F611 HydrophobicContact CD1-CE2 4.18Å; L596-F611 HydrophobicContact CD1-CG 3.98Å; L596-F611 HydrophobicContact CD1-CZ 4.09Å; L596-F611 HydrophobicContact CD2-CD2 4.02Å; L596-F611 HydrophobicContact CD2-CE2 4.21Å; L596-F611 HydrophobicContact CG-CD2 4.31Å; L596-F611 HydrophobicContact CG-CG 4.32Å; L596-L622 HydrophobicContact CD2-CD1 3.58Å; L596-W639 HydrophobicContact CD1-CE3 4.36Å; L596-W639 HydrophobicContact CD1-CH2 3.75Å; L596-W639 HydrophobicContact CD1-CZ2 4.32Å; L596-W639 HydrophobicContact CD1-CZ3 3.79Å; L596-W639 HydrophobicContact CD2-CD2 3.64Å; L596-W639 HydrophobicContact CD2-CE3 3.69Å; L596-W639 HydrophobicContact CD2-CG 4.12Å; L596-W639 HydrophobicContact CD2-CH2 4.16Å; L596-W639 HydrophobicContact CD2-CZ2 4.14Å; L596-W639 HydrophobicContact CD2-CZ3 3.96Å; L596-W639 HydrophobicContact CG-CE3 4.49Å; L596-W639 HydrophobicContact CG-CZ3 4.38Å; L596-T643 HydrophobicContact CD1-CG2 4.41Å; L596-T643 HydrophobicContact CD2-CG2 3.73Å; L596-T643 HydrophobicContact CG-CG2 3.77Å
597	N	90.9	Very high	84.7	Confident	72 Å²	72	45 Å²	45	39%	0.385	24%	0.237	S	C	.	.	H	α-helix	trans	-63.9	-41.6	173.6	-67.3	-3.7	0	0	0	111.5	S595 Q599 C600 E601 F611	S595-N597 VanDerWaalsContact C-N 3.26Å; S595-N597 PolarHBondContact O-N 3.03Å; N597-Q599 VanDerWaalsContact C-N 3.32Å; N597-Q599 PolarHBondContact O-N 2.59Å; N597-C600 WeakPolarHBondContact O-CB 3.47Å; N597-C600 PolarHBondContact O-N 3.29Å; N597-C600 VanDerWaalsContact O-N 3.14Å; N597-E601 WeakPolarHBondContact O-CG 3.32Å; N597-E601 PolarHBondContact O-N 2.92Å; N597-F611 WeakPolarHBondContact OD1-CB 3.37Å; N597-F611 PolarHBondContact OD1-N 2.91Å
598	K	89.7	Confident	85.3	Confident	46 Å²	46	42.6 Å²	42.6	20%	0.2	24%	0.236	C	C	.	.	H	α-helix	trans	-65.6	-35.5	176.2	-161.5	72.8	-147.3	164	0	112.1	F594 S595 E601 F602	F594-K598 HydrophobicContact CB-CB 4.44Å; F594-K598 HydrophobicContact CB-CG 4.48Å; F594-K598 HydrophobicContact CD1-CG 4.12Å; S595-K598 CarbonylContact O-C 3.53Å; S595-K598 WeakPolarHBondContact O-CA 3Å; S595-K598 WeakPolarHBondContact O-CB 3.22Å; S595-K598 PolarHBondContact O-N 2.81Å; S595-K598 PolarHBondContact OG-N 3.07Å; K598-E601 WeakPolarHBondContact CD-OE2 3.33Å; K598-E601 WeakPolarHBondContact CE-OE2 3.11Å; K598-E601 IonicContact NZ-OE2 2.79Å; K598-E601 PolarHBondContact NZ-OE2 3.44Å; K598-F602 HydrophobicContact CD-CE1 4.45Å; K598-F602 HydrophobicContact CD-CZ 4.39Å; K598-F602 VanDerWaalsContact CE-CZ 3.42Å; K598-F602 HydrophobicContact CG-CE1 4.46Å; K598-F602 HydrophobicContact CG-CE2 4.14Å; K598-F602 HydrophobicContact CG-CZ 4.09Å; K598-F602 WeakPolarHBondContact O-CB 3.27Å; K598-F602 VanDerWaalsContact O-CG 3.23Å; K598-F602 WeakPolarHBondContact O-CG 3.14Å; K598-F602 PolarHBondContact O-N 3.36Å
599	Q	91.7	Very high	86.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-42.6	171.1	-63.1	174.5	46.9	0	0	110.5	F449 F594 S595 L596 N597 F602 V603 L622 A640 T643	F449-Q599 HydrophobicContact CD2-CG 4.05Å; F449-Q599 HydrophobicContact CE2-CB 4.45Å; F449-Q599 HydrophobicContact CE2-CG 3.83Å; F594-Q599 HydrophobicContact CB-CG 4.21Å; F594-Q599 PolarHBondContact O-NE2 2.85Å; S595-Q599 WeakPolarHBondContact O-CG 3.45Å; S595-Q599 PolarHBondContact O-N 2.91Å; L596-Q599 WeakPolarHBondContact O-CB 3.06Å; L596-Q599 PolarHBondContact O-N 3.43Å; N597-Q599 VanDerWaalsContact C-N 3.32Å; N597-Q599 PolarHBondContact O-N 2.59Å; Q599-F602 PolarHBondContact O-N 3.36Å; Q599-V603 WeakPolarHBondContact O-CG2 3.46Å; Q599-V603 PolarHBondContact O-N 3.19Å; Q599-L622 HydrophobicContact CB-CD1 4.41Å; Q599-L622 HydrophobicContact CB-CD2 3.69Å; Q599-A640 HydrophobicContact CG-CB 4.48Å; Q599-T643 PolarHBondContact NE2-OG1 2.04Å
600	C	90.6	Very high	86.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-47.4	174.4	-73	0	0	0	0	113.6	L596 N597 F602 V603 L604 C624	L596-C600 PolarHBondContact O-N 2.03Å; L596-C600 PolarHBondContact O-SG 3.47Å; N597-C600 WeakPolarHBondContact O-CB 3.47Å; N597-C600 PolarHBondContact O-N 3.29Å; N597-C600 VanDerWaalsContact O-N 3.14Å; C600-F602 PolarHBondContact O-N 2.97Å; C600-V603 PolarHBondContact O-N 2.95Å; C600-V603 VanDerWaalsContact O-N 3.13Å; C600-L604 PolarHBondContact O-N 2.96Å; C600-C624 WeakPolarHBondContact CA-SG 3.22Å; C600-C624 HydrophobicContact CB-CB 3.67Å; C600-C624 WeakPolarHBondContact CB-SG 3.33Å; C600-C624 VanDerWaalsContact SG-CA 3.53Å; C600-C624 WeakPolarHBondContact SG-CB 3.34Å; C600-C624 CovalentContact SG-SG 2.03Å; C600-C624 PolarHBondContact SG-SG 3.49Å
601	E	89.1	Confident	87	Confident	39 Å²	39	44.9 Å²	44.9	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-56.3	-36.5	173.9	-68.6	-174.8	147.3	0	0	111.7	N597 K598 K605 G608 T609	N597-E601 WeakPolarHBondContact O-CG 3.32Å; N597-E601 PolarHBondContact O-N 2.92Å; K598-E601 WeakPolarHBondContact CD-OE2 3.33Å; K598-E601 WeakPolarHBondContact CE-OE2 3.11Å; K598-E601 IonicContact NZ-OE2 2.79Å; K598-E601 PolarHBondContact NZ-OE2 3.44Å; E601-K605 WeakPolarHBondContact O-CA 3Å; E601-K605 PolarHBondContact O-N 2.69Å; E601-G608 PolarHBondContact OE1-N 2.95Å; E601-T609 WeakPolarHBondContact CA-OG1 3.29Å; E601-T609 PolarHBondContact N-OG1 2.87Å
602	F	89.2	Confident	87.1	Confident	6 Å²	6	47.1 Å²	47.1	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-77.2	-26.3	178	-72.4	-10.1	0	0	0	114.7	F333 F336 Y340 F449 F594 K598 Q599 C600 K605	F333-F602 AromaticContact CD1-CD1 3.7Å; F333-F602 HydrophobicContact CD1-CD1 3.7Å; F333-F602 HydrophobicContact CD1-CD2 4.13Å; F333-F602 AromaticContact CD1-CE1 3.58Å; F333-F602 HydrophobicContact CD1-CE1 3.58Å; F333-F602 HydrophobicContact CD1-CE2 4.04Å; F333-F602 AromaticContact CD1-CG 3.98Å; F333-F602 HydrophobicContact CD1-CG 3.98Å; F333-F602 AromaticContact CD1-CZ 3.78Å; F333-F602 HydrophobicContact CD1-CZ 3.78Å; F333-F602 HydrophobicContact CE1-CB 3.89Å; F333-F602 AromaticContact CE1-CD1 3.66Å; F333-F602 HydrophobicContact CE1-CD1 3.66Å; F333-F602 AromaticContact CE1-CD2 3.73Å; F333-F602 HydrophobicContact CE1-CD2 3.73Å; F333-F602 HydrophobicContact CE1-CE1 4.02Å; F333-F602 HydrophobicContact CE1-CE2 4.09Å; F333-F602 AromaticContact CE1-CG 3.5Å; F333-F602 HydrophobicContact CE1-CG 3.5Å; F333-F602 HydrophobicContact CE1-CZ 4.23Å; F333-F602 HydrophobicContact CZ-CB 4.49Å; F336-F602 HydrophobicContact CB-CE2 4.49Å; F336-F602 HydrophobicContact CB-CZ 3.74Å; F336-F602 HydrophobicContact CD2-CZ 4.08Å; F336-F602 HydrophobicContact CG-CZ 4.07Å; Y340-F602 HydrophobicContact CD2-CD2 4.11Å; Y340-F602 HydrophobicContact CD2-CE2 4.32Å; Y340-F602 HydrophobicContact CE2-CD2 4.46Å; F449-F602 HydrophobicContact CE2-CD2 4.15Å; F449-F602 HydrophobicContact CZ-CD2 4.23Å; F594-F602 HydrophobicContact CD1-CD2 4.44Å; F594-F602 AromaticContact CD1-CE2 3.55Å; F594-F602 HydrophobicContact CD1-CE2 3.55Å; F594-F602 HydrophobicContact CD1-CZ 4.23Å; F594-F602 AromaticContact CE1-CE2 3.65Å; F594-F602 HydrophobicContact CE1-CE2 3.65Å; F594-F602 HydrophobicContact CE1-CZ 4.16Å; F594-F602 HydrophobicContact CG-CE2 4.15Å; F594-F602 HydrophobicContact CZ-CE2 4.33Å; K598-F602 HydrophobicContact CD-CE1 4.45Å; K598-F602 HydrophobicContact CD-CZ 4.39Å; K598-F602 VanDerWaalsContact CE-CZ 3.42Å; K598-F602 HydrophobicContact CG-CE1 4.46Å; K598-F602 HydrophobicContact CG-CE2 4.14Å; K598-F602 HydrophobicContact CG-CZ 4.09Å; K598-F602 WeakPolarHBondContact O-CB 3.27Å; K598-F602 VanDerWaalsContact O-CG 3.23Å; K598-F602 WeakPolarHBondContact O-CG 3.14Å; K598-F602 PolarHBondContact O-N 3.36Å; Q599-F602 PolarHBondContact O-N 3.36Å; C600-F602 PolarHBondContact O-N 2.97Å; F602-K605 WeakPolarHBondContact O-CD 3.43Å; F602-K605 VanDerWaalsContact O-CE 3.27Å; F602-K605 WeakPolarHBondContact O-CE 3.47Å; F602-K605 PolarHBondContact O-NZ 2.86Å
603	V	87.9	Confident	86.6	Confident	16 Å²	16	43 Å²	43	10%	0.097	25%	0.245	C	C	.	.	H	α-helix	trans	-80.2	-55.5	170.9	-176.1	0	0	0	0	110.4	Q599 C600 K605 L622 M635 T637	Q599-V603 WeakPolarHBondContact O-CG2 3.46Å; Q599-V603 PolarHBondContact O-N 3.19Å; C600-V603 PolarHBondContact O-N 2.95Å; C600-V603 VanDerWaalsContact O-N 3.13Å; V603-K605 VanDerWaalsContact C-N 3.26Å; V603-K605 PolarHBondContact O-N 3.42Å; V603-L622 HydrophobicContact CG2-CD2 4.14Å; V603-M635 HydrophobicContact CB-CG 4.34Å; V603-M635 HydrophobicContact CB-SD 3.95Å; V603-M635 HydrophobicContact CG1-CB 4.12Å; V603-M635 HydrophobicContact CG1-CG 4.1Å; V603-M635 HydrophobicContact CG1-SD 3.47Å; V603-M635 WeakPolarHBondContact CG1-SD 3.44Å; V603-M635 HydrophobicContact CG2-CB 4.45Å; V603-M635 HydrophobicContact CG2-CG 4.46Å; V603-T637 HydrophobicContact CG2-CG2 3.58Å
604	L	85.5	Confident	85.8	Confident	45 Å²	45	44.6 Å²	44.6	24%	0.236	25%	0.251	C	S	.	.	H	α-helix	trans	-73.7	-15.1	-173.8	-68.3	175.3	0	0	0	113.6	C600 I606 T609 C624 M635	C600-L604 PolarHBondContact O-N 2.96Å; L604-I606 WeakPolarHBondContact O-CG1 3.04Å; L604-I606 PolarHBondContact O-N 2.84Å; L604-T609 HydrophobicContact CB-CG2 4.32Å; L604-T609 HydrophobicContact CD1-CG2 3.71Å; L604-C624 HydrophobicContact CD1-CB 3.67Å; L604-C624 HydrophobicContact CG-CB 4.35Å; L604-M635 HydrophobicContact CD2-CE 3.93Å; L604-M635 HydrophobicContact CD2-SD 3.79Å; L604-M635 HydrophobicContact CG-CE 4.49Å; L604-M635 HydrophobicContact CG-SD 3.97Å
605	K	84.1	Confident	84.6	Confident	23 Å²	23	51.7 Å²	51.7	10%	0.1	29%	0.286	C	S	.	.			trans	60.2	20.9	-176.4	-45.8	-58	-178.8	-171.2	0	113.6	K332 F333 V418 D446 E601 F602 V603	K332-K605 HydrophobicContact CD-CB 4.07Å; K332-K605 PolarHBondContact NZ-O 3.18Å; F333-K605 VanDerWaalsContact CZ-NZ 3.35Å; V418-K605 HydrophobicContact CG1-CD 4.11Å; V418-K605 HydrophobicContact CG1-CG 3.86Å; V418-K605 HydrophobicContact CG2-CD 4.41Å; D446-K605 IonicContact OD2-NZ 2.7Å; D446-K605 PolarHBondContact OD2-NZ 2.96Å; E601-K605 WeakPolarHBondContact O-CA 3Å; E601-K605 PolarHBondContact O-N 2.69Å; F602-K605 WeakPolarHBondContact O-CD 3.43Å; F602-K605 VanDerWaalsContact O-CE 3.27Å; F602-K605 WeakPolarHBondContact O-CE 3.47Å; F602-K605 PolarHBondContact O-NZ 2.86Å; V603-K605 VanDerWaalsContact C-N 3.26Å; V603-K605 PolarHBondContact O-N 3.42Å
606	I	83.4	Confident	83.5	Confident	75 Å²	75	50.8 Å²	50.8	39%	0.385	28%	0.275	S	S	.	.			trans	-119.8	119.9	-179	-62.8	163.3	0	0	0	108.2	L604 T609	L604-I606 WeakPolarHBondContact O-CG1 3.04Å; L604-I606 PolarHBondContact O-N 2.84Å; I606-T609 HydrophobicContact CB-CG2 3.76Å; I606-T609 HydrophobicContact CG2-CG2 3.78Å; I606-T609 PolarHBondContact O-OG1 2.89Å
607	N	82	Confident	82.8	Confident	128 Å²	128	52.7 Å²	52.7	68%	0.684	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	144.5	177.1	-63.6	-7	0	0	0	110.8	T609	N607-T609 VanDerWaalsContact C-N 3.28Å; N607-T609 PolarHBondContact O-N 2.88Å
608	G	80.5	Confident	82.4	Confident	51 Å²	51	50.8 Å²	50.8	53%	0.526	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	1.7	-178.8	0	0	0	0	0	115.1	E601 Q610	E601-G608 PolarHBondContact OE1-N 2.95Å; G608-Q610 WeakPolarHBondContact O-CG 3.22Å
609	T	84.2	Confident	82.3	Confident	8 Å²	8	48.6 Å²	48.6	5%	0.049	27%	0.272	C	S	.	.			trans	-66.9	135.6	171.8	46.9	0	0	0	0	110.6	E601 L604 I606 N607	E601-T609 WeakPolarHBondContact CA-OG1 3.29Å; E601-T609 PolarHBondContact N-OG1 2.87Å; L604-T609 HydrophobicContact CB-CG2 4.32Å; L604-T609 HydrophobicContact CD1-CG2 3.71Å; I606-T609 HydrophobicContact CB-CG2 3.76Å; I606-T609 HydrophobicContact CG2-CG2 3.78Å; I606-T609 PolarHBondContact O-OG1 2.89Å; N607-T609 VanDerWaalsContact C-N 3.28Å; N607-T609 PolarHBondContact O-N 2.88Å
610	Q	86.7	Confident	81.9	Confident	106 Å²	106	53.4 Å²	53.4	50%	0.495	29%	0.29	S	S	.	.			trans	-111.6	150	-170.9	-55.8	-168.4	15.3	0	0	111.1	G608 Q625	G608-Q610 WeakPolarHBondContact O-CG 3.22Å; Q610-Q625 WeakPolarHBondContact O-CB 3.28Å; Q610-Q625 PolarHBondContact O-N 3.48Å
611	F	90	Very high	81.7	Confident	46 Å²	46	54.8 Å²	54.8	20%	0.202	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-69.1	128.5	166.5	169.2	-96.3	0	0	0	109.8	L596 N597 G613 Q614 L622 Y623 W639	L596-F611 HydrophobicContact CB-CB 3.68Å; L596-F611 HydrophobicContact CB-CD1 4.38Å; L596-F611 HydrophobicContact CB-CD2 4.05Å; L596-F611 HydrophobicContact CB-CG 3.77Å; L596-F611 HydrophobicContact CD1-CD1 3.91Å; L596-F611 HydrophobicContact CD1-CD2 4.12Å; L596-F611 HydrophobicContact CD1-CE1 3.98Å; L596-F611 HydrophobicContact CD1-CE2 4.18Å; L596-F611 HydrophobicContact CD1-CG 3.98Å; L596-F611 HydrophobicContact CD1-CZ 4.09Å; L596-F611 HydrophobicContact CD2-CD2 4.02Å; L596-F611 HydrophobicContact CD2-CE2 4.21Å; L596-F611 HydrophobicContact CG-CD2 4.31Å; L596-F611 HydrophobicContact CG-CG 4.32Å; N597-F611 WeakPolarHBondContact OD1-CB 3.37Å; N597-F611 PolarHBondContact OD1-N 2.91Å; F611-G613 WeakPolarHBondContact CE2-O 3.29Å; F611-G613 WeakPolarHBondContact CZ-O 3.44Å; F611-Q614 HydrophobicContact CZ-CG 3.85Å; F611-L622 HydrophobicContact CD2-CD1 3.97Å; F611-L622 HydrophobicContact CE2-CD1 4.41Å; F611-Y623 VanDerWaalsContact CD2-O 3.26Å; F611-Y623 WeakPolarHBondContact CD2-O 3.38Å; F611-W639 HydrophobicContact CE2-CH2 4.28Å; F611-W639 AromaticContact CE2-CZ2 3.57Å; F611-W639 HydrophobicContact CE2-CZ2 3.57Å; F611-W639 AromaticContact CZ-CH2 3.94Å; F611-W639 HydrophobicContact CZ-CH2 3.94Å; F611-W639 AromaticContact CZ-CZ2 3.55Å; F611-W639 HydrophobicContact CZ-CZ2 3.55Å
612	C	85.3	Confident	81.7	Confident	49 Å²	49	53 Å²	53	33%	0.331	29%	0.288	S	S	.	.			trans	-112.3	-8.5	-165.2	56.7	0	0	0	0	115.5	Y623 C624 Q625 C632	C612-Y623 PolarHBondContact N-O 2.71Å; C612-C624 PolarHBondContact SG-N 2.76Å; C612-C624 VanDerWaalsContact SG-N 3.41Å; C612-Q625 HydrophobicContact CB-CB 4.06Å; C612-C632 VanDerWaalsContact C-SG 3.57Å; C612-C632 HydrophobicContact CB-CB 3.73Å; C612-C632 WeakPolarHBondContact CB-SG 3.4Å; C612-C632 WeakPolarHBondContact SG-CA 3.43Å; C612-C632 WeakPolarHBondContact SG-CB 3.45Å; C612-C632 CovalentContact SG-SG 2.03Å; C612-C632 PolarHBondContact SG-SG 2.86Å
613	G	76.3	Confident	81.8	Confident	24 Å²	24	53.3 Å²	53.3	25%	0.247	29%	0.289	C	S	.	.			trans	151.9	-168.2	177.4	0	0	0	0	0	114.9	F611	F611-G613 WeakPolarHBondContact CE2-O 3.29Å; F611-G613 WeakPolarHBondContact CZ-O 3.44Å
614	Q	66.1	Low	81.9	Confident	102 Å²	102	52.5 Å²	52.5	48%	0.477	28%	0.284	S	S	.	.			trans	-135	116	-178.8	-58.8	177	24.4	0	0	108.1	F611 P618 W639	F611-Q614 HydrophobicContact CZ-CG 3.85Å; Q614-P618 VanDerWaalsContact OE1-CD 3.28Å; Q614-W639 HydrophobicContact CG-CH2 4.34Å; Q614-W639 HydrophobicContact CG-CZ2 3.94Å
615	M	62.6	Low	82	Confident	151 Å²	151	54.2 Å²	54.2	74%	0.744	29%	0.291	S	S	*	.	S	Bend	trans	-97.5	-34.5	167.1	-68.2	-179.7	161.8	0	0	111.5	Y623	M615-Y623 HydrophobicContact CB-CE1 4.04Å; M615-Y623 HydrophobicContact CB-CE2 4.36Å; M615-Y623 HydrophobicContact CG-CE1 4.12Å; M615-Y623 HydrophobicContact SD-CE1 3.9Å
616	L	67.8	Low	81.7	Confident	50 Å²	50	54 Å²	54	26%	0.262	29%	0.291	S	S	.	.	S	Bend	trans	-95.2	162.9	168.4	-69	174.5	0	0	0	110.5	D540 R620 Q621	D540-L616 HydrophobicContact CB-CD1 3.65Å; L616-R620 HydrophobicContact CB-CB 4.45Å; L616-Q621 HydrophobicContact CD1-CB 4.06Å
617	P	75.3	Confident	81	Confident	70 Å²	70	54.1 Å²	54.1	46%	0.455	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-49.1	141.7	170.2	-28	35.5	0	0	0	111.7	R620	P617-R620 PolarHBondContact O-N 3.22Å
618	P	81.9	Confident	80.4	Confident	31 Å²	31	55.7 Å²	55.7	20%	0.201	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	152.4	-179	20.8	-29.6	0	0	0	110.5	Q614 R620 W639 C645 C656	Q614-P618 VanDerWaalsContact OE1-CD 3.28Å; P618-R620 VanDerWaalsContact C-N 3.32Å; P618-R620 PolarHBondContact O-N 3.47Å; P618-W639 HydrophobicContact CB-CH2 3.87Å; P618-W639 HydrophobicContact CB-CZ2 4.18Å; P618-W639 HydrophobicContact CB-CZ3 4.11Å; P618-C645 HydrophobicContact CB-CB 4.13Å; P618-C656 HydrophobicContact CG-CB 4.27Å
619	C	87.4	Confident	79.7	Confident	1 Å²	1	60 Å²	60	1%	0.007	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-15.8	-174.6	-42.9	0	0	0	0	117	C651	C619-C651 WeakPolarHBondContact CA-SG 3.5Å; C619-C651 HydrophobicContact CB-CB 3.55Å; C619-C651 WeakPolarHBondContact CB-SG 2.95Å; C619-C651 WeakPolarHBondContact SG-CA 3.17Å; C619-C651 WeakPolarHBondContact SG-CB 3.26Å; C619-C651 CovalentContact SG-SG 2.02Å; C619-C651 PolarHBondContact SG-SG 2.96Å
620	R	84.9	Confident	78.9	Confident	100 Å²	100	70.1 Å²	70.1	38%	0.377	35%	0.345	S	S	.	.	S	Bend	trans	-78.3	-55.9	180	-68.8	-165.8	-176.3	-179.5	2.5	114.4	F539 L616 P617 P618 A638	F539-R620 VanDerWaalsContact O-O 3.12Å; L616-R620 HydrophobicContact CB-CB 4.45Å; P617-R620 PolarHBondContact O-N 3.22Å; P618-R620 VanDerWaalsContact C-N 3.32Å; P618-R620 PolarHBondContact O-N 3.47Å; R620-A638 WeakPolarHBondContact O-CA 3.05Å; R620-A638 WeakPolarHBondContact O-CB 3.38Å
621	Q	86.3	Confident	78.3	Confident	30 Å²	30	67 Å²	67	14%	0.14	34%	0.335	C	S	.	.			trans	-136.3	138.4	-178.7	-170.2	169.1	32.4	0	0	110.7	L616 Y623 M635 W639	L616-Q621 HydrophobicContact CD1-CB 4.06Å; Q621-Y623 HydrophobicContact CB-CE2 4.07Å; Q621-Y623 HydrophobicContact CG-CE2 4.34Å; Q621-Y623 WeakPolarHBondContact O-CD2 3.15Å; Q621-Y623 PolarHBondContact OE1-OH 3.28Å; Q621-M635 WeakPolarHBondContact CG-O 3.26Å; Q621-M635 PolarHBondContact NE2-O 3.42Å; Q621-W639 VanDerWaalsContact O-CD1 3.31Å; Q621-W639 PolarHBondContact O-NE1 2.84Å
622	L	89.4	Confident	77.9	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.339	C	S	.	.			trans	-82	137.3	175.7	-174.5	70.2	0	0	0	110.2	L596 Q599 V603 F611 M635 T637	L596-L622 HydrophobicContact CD2-CD1 3.58Å; Q599-L622 HydrophobicContact CB-CD1 4.41Å; Q599-L622 HydrophobicContact CB-CD2 3.69Å; V603-L622 HydrophobicContact CG2-CD2 4.14Å; F611-L622 HydrophobicContact CD2-CD1 3.97Å; F611-L622 HydrophobicContact CE2-CD1 4.41Å; L622-M635 HydrophobicContact CB-CB 4.24Å; L622-M635 HydrophobicContact CB-CG 4.47Å; L622-M635 HydrophobicContact CD2-CG 4.42Å; L622-M635 HydrophobicContact CG-CG 4.43Å; L622-M635 WeakPolarHBondContact O-CB 3.17Å; L622-M635 PolarHBondContact O-N 3.5Å; L622-T637 HydrophobicContact CB-CG2 3.86Å; L622-T637 HydrophobicContact CD2-CG2 3.86Å; L622-T637 PolarHBondContact N-O 3.33Å
623	Y	89.4	Confident	77.7	Confident	13 Å²	13	67.8 Å²	67.8	5%	0.051	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.2	174.6	-67.8	-100.1	0	0	0	110	F611 C612 M615 Q621 L633 P634	F611-Y623 VanDerWaalsContact CD2-O 3.26Å; F611-Y623 WeakPolarHBondContact CD2-O 3.38Å; C612-Y623 PolarHBondContact N-O 2.71Å; M615-Y623 HydrophobicContact CB-CE1 4.04Å; M615-Y623 HydrophobicContact CB-CE2 4.36Å; M615-Y623 HydrophobicContact CG-CE1 4.12Å; M615-Y623 HydrophobicContact SD-CE1 3.9Å; Q621-Y623 HydrophobicContact CB-CE2 4.07Å; Q621-Y623 HydrophobicContact CG-CE2 4.34Å; Q621-Y623 WeakPolarHBondContact O-CD2 3.15Å; Q621-Y623 PolarHBondContact OE1-OH 3.28Å; Y623-L633 WeakPolarHBondContact CA-O 3.3Å; Y623-P634 HydrophobicContact CD1-CB 4.05Å; Y623-P634 HydrophobicContact CE1-CB 3.63Å; Y623-P634 HydrophobicContact CE1-CG 4.42Å
624	C	90.7	Very high	78.1	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.1	-173.1	-60.1	0	0	0	0	111.7	C600 L604 C612 D626 L633 M635	C600-C624 WeakPolarHBondContact CA-SG 3.22Å; C600-C624 HydrophobicContact CB-CB 3.67Å; C600-C624 WeakPolarHBondContact CB-SG 3.33Å; C600-C624 VanDerWaalsContact SG-CA 3.53Å; C600-C624 WeakPolarHBondContact SG-CB 3.34Å; C600-C624 CovalentContact SG-SG 2.03Å; C600-C624 PolarHBondContact SG-SG 3.49Å; L604-C624 HydrophobicContact CD1-CB 3.67Å; L604-C624 HydrophobicContact CG-CB 4.35Å; C612-C624 PolarHBondContact SG-N 2.76Å; C612-C624 VanDerWaalsContact SG-N 3.41Å; C624-D626 PolarHBondContact O-N 2.91Å; C624-L633 PolarHBondContact N-O 2.95Å; C624-L633 PolarHBondContact O-N 2.88Å; C624-M635 HydrophobicContact CB-CE 4.12Å; C624-M635 HydrophobicContact CB-CG 4.05Å; C624-M635 HydrophobicContact CB-SD 4.03Å; C624-M635 VanDerWaalsContact SG-CG 3.53Å
625	Q	87.5	Confident	78.9	Confident	81 Å²	81	65.9 Å²	65.9	38%	0.379	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	121.4	178.1	-169.2	174.5	16.8	0	0	109.9	Q610 C612 S631	Q610-Q625 WeakPolarHBondContact O-CB 3.28Å; Q610-Q625 PolarHBondContact O-N 3.48Å; C612-Q625 HydrophobicContact CB-CB 4.06Å; Q625-S631 WeakPolarHBondContact CA-O 3.24Å
626	D	78.1	Confident	79.7	Confident	18 Å²	18	62.1 Å²	62.1	10%	0.096	31%	0.312	C	S	.	.			trans	-79.6	128.1	165.7	176.9	23.2	0	0	0	110.4	C624 E628 H629 R630 S631 L633	C624-D626 PolarHBondContact O-N 2.91Å; D626-E628 PolarHBondContact OD1-N 3.25Å; D626-H629 WeakPolarHBondContact OD2-CB 3.31Å; D626-H629 IonicContact OD2-CE1 2.83Å; D626-H629 IonicContact OD2-CG 2.73Å; D626-H629 PolarHBondContact OD2-N 2.99Å; D626-H629 IonicContact OD2-ND1 2.7Å; D626-H629 PolarHBondContact OD2-ND1 3.01Å; D626-R630 VanDerWaalsContact O-CA 3.26Å; D626-R630 WeakPolarHBondContact O-CA 3.28Å; D626-R630 PolarHBondContact O-N 2.84Å; D626-R630 VanDerWaalsContact O-N 3.11Å; D626-S631 PolarHBondContact N-O 2.81Å; D626-L633 HydrophobicContact CB-CD1 3.82Å; D626-L633 HydrophobicContact CB-CG 4.23Å
627	S	68.9	Low	80.6	Confident	78 Å²	78	59.9 Å²	59.9	55%	0.545	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-26	176.2	44.5	0	0	0	0	114
628	E	69.6	Low	81.1	Confident	160 Å²	160	56.7 Å²	56.7	75%	0.748	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-58	176.8	-69.2	-165.5	135.5	0	0	111.2	D626	D626-E628 PolarHBondContact OD1-N 3.25Å
629	H	64.7	Low	81.4	Confident	141 Å²	141	55.7 Å²	55.7	65%	0.653	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.4	-171.7	-58.3	84.4	0	0	0	114.1	D626 S631	D626-H629 WeakPolarHBondContact OD2-CB 3.31Å; D626-H629 IonicContact OD2-CE1 2.83Å; D626-H629 IonicContact OD2-CG 2.73Å; D626-H629 PolarHBondContact OD2-N 2.99Å; D626-H629 IonicContact OD2-ND1 2.7Å; D626-H629 PolarHBondContact OD2-ND1 3.01Å; H629-S631 PolarHBondContact O-N 3.35Å
630	R	68.6	Low	81.5	Confident	222 Å²	222	55.9 Å²	55.9	84%	0.838	27%	0.274	S	S	*	.			trans	54.2	18	-173.3	-56.4	-175.9	-177.7	178.8	1.7	114.3	D626	D626-R630 VanDerWaalsContact O-CA 3.26Å; D626-R630 WeakPolarHBondContact O-CA 3.28Å; D626-R630 PolarHBondContact O-N 2.84Å; D626-R630 VanDerWaalsContact O-N 3.11Å
631	S	74	Confident	81.5	Confident	40 Å²	40	53.6 Å²	53.6	28%	0.28	27%	0.268	S	S	.	.			trans	-92.6	161	-176.1	57.3	0	0	0	0	111.4	Q625 D626 H629 L633	Q625-S631 WeakPolarHBondContact CA-O 3.24Å; D626-S631 PolarHBondContact N-O 2.81Å; H629-S631 PolarHBondContact O-N 3.35Å; S631-L633 WeakPolarHBondContact OG-CD2 3.04Å
632	C	81.7	Confident	81.5	Confident	44 Å²	44	52.3 Å²	52.3	30%	0.297	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	99.9	175	-174.2	0	0	0	0	108.5	C612	C612-C632 VanDerWaalsContact C-SG 3.57Å; C612-C632 HydrophobicContact CB-CB 3.73Å; C612-C632 WeakPolarHBondContact CB-SG 3.4Å; C612-C632 WeakPolarHBondContact SG-CA 3.43Å; C612-C632 WeakPolarHBondContact SG-CB 3.45Å; C612-C632 CovalentContact SG-SG 2.03Å; C612-C632 PolarHBondContact SG-SG 2.86Å
633	L	81	Confident	81.5	Confident	67 Å²	67	52.3 Å²	52.3	35%	0.351	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.2	-170.1	-63.6	-176.8	0	0	0	112	Y623 C624 D626 S631 M635	Y623-L633 WeakPolarHBondContact CA-O 3.3Å; C624-L633 PolarHBondContact N-O 2.95Å; C624-L633 PolarHBondContact O-N 2.88Å; D626-L633 HydrophobicContact CB-CD1 3.82Å; D626-L633 HydrophobicContact CB-CG 4.23Å; S631-L633 WeakPolarHBondContact OG-CD2 3.04Å; L633-M635 HydrophobicContact CB-CE 3.61Å; L633-M635 VanDerWaalsContact O-CE 3.26Å; L633-M635 WeakPolarHBondContact O-CE 3.45Å
634	P	83.5	Confident	81.5	Confident	72 Å²	72	55.8 Å²	55.8	47%	0.468	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	133.5	170	28.4	-32.4	0	0	0	110.6	Y623	Y623-P634 HydrophobicContact CD1-CB 4.05Å; Y623-P634 HydrophobicContact CE1-CB 3.63Å; Y623-P634 HydrophobicContact CE1-CG 4.42Å
635	M	84.5	Confident	81.5	Confident	14 Å²	14	56.9 Å²	56.9	7%	0.069	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-96.7	156.8	179.4	-61.7	-65.8	103.4	0	0	112	V603 L604 Q621 L622 C624 L633 T637	V603-M635 HydrophobicContact CB-CG 4.34Å; V603-M635 HydrophobicContact CB-SD 3.95Å; V603-M635 HydrophobicContact CG1-CB 4.12Å; V603-M635 HydrophobicContact CG1-CG 4.1Å; V603-M635 HydrophobicContact CG1-SD 3.47Å; V603-M635 WeakPolarHBondContact CG1-SD 3.44Å; V603-M635 HydrophobicContact CG2-CB 4.45Å; V603-M635 HydrophobicContact CG2-CG 4.46Å; L604-M635 HydrophobicContact CD2-CE 3.93Å; L604-M635 HydrophobicContact CD2-SD 3.79Å; L604-M635 HydrophobicContact CG-CE 4.49Å; L604-M635 HydrophobicContact CG-SD 3.97Å; Q621-M635 WeakPolarHBondContact CG-O 3.26Å; Q621-M635 PolarHBondContact NE2-O 3.42Å; L622-M635 HydrophobicContact CB-CB 4.24Å; L622-M635 HydrophobicContact CB-CG 4.47Å; L622-M635 HydrophobicContact CD2-CG 4.42Å; L622-M635 HydrophobicContact CG-CG 4.43Å; L622-M635 WeakPolarHBondContact O-CB 3.17Å; L622-M635 PolarHBondContact O-N 3.5Å; C624-M635 HydrophobicContact CB-CE 4.12Å; C624-M635 HydrophobicContact CB-CG 4.05Å; C624-M635 HydrophobicContact CB-SD 4.03Å; C624-M635 VanDerWaalsContact SG-CG 3.53Å; L633-M635 HydrophobicContact CB-CE 3.61Å; L633-M635 VanDerWaalsContact O-CE 3.26Å; L633-M635 WeakPolarHBondContact O-CE 3.45Å; M635-T637 HydrophobicContact CB-CG2 4.01Å; M635-T637 PolarHBondContact O-N 2.86Å
636	E	78.5	Confident	81.3	Confident	73 Å²	73	54.9 Å²	54.9	34%	0.341	30%	0.295	S	S	.	.	S	Bend	trans	-75.5	45.1	170.9	-63.8	169	-177.8	0	0	112.1	L426 R447 F539	L426-E636 WeakPolarHBondContact CD1-OE2 3.13Å; R447-E636 VanDerWaalsContact CD-OE2 3.28Å; R447-E636 WeakPolarHBondContact CD-OE2 3.25Å; R447-E636 WeakPolarHBondContact CG-OE2 3.45Å; R447-E636 IonicContact CZ-OE2 2.67Å; R447-E636 IonicContact NE-OE2 3.59Å; R447-E636 IonicContact NH1-OE1 3.05Å; R447-E636 PolarHBondContact NH1-OE1 2.82Å; R447-E636 IonicContact NH1-OE2 3.51Å; R447-E636 PolarHBondContact NH1-OE2 2.58Å; F539-E636 VanDerWaalsContact CD2-C 3.46Å; F539-E636 HydrophobicContact CE2-CB 4.42Å; F539-E636 WeakPolarHBondContact CE2-O 3.44Å; F539-E636 WeakPolarHBondContact CZ-O 3.41Å
637	T	86	Confident	81.6	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.012	33%	0.331	C	S	.	.	S	Bend	trans	-156.3	146.9	176.1	-175.7	0	0	0	0	111.4	G450 V603 L622 M635	G450-T637 PolarHBondContact N-OG1 2.98Å; V603-T637 HydrophobicContact CG2-CG2 3.58Å; L622-T637 HydrophobicContact CB-CG2 3.86Å; L622-T637 HydrophobicContact CD2-CG2 3.86Å; L622-T637 PolarHBondContact N-O 3.33Å; M635-T637 HydrophobicContact CB-CG2 4.01Å; M635-T637 PolarHBondContact O-N 2.86Å
638	A	86.5	Confident	82.3	Confident	3 Å²	3	60.1 Å²	60.1	3%	0.025	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-69.4	172.3	158.5	0	0	0	0	0	111.4	F539 F542 R620	F539-A638 HydrophobicContact CD1-CB 4.35Å; F542-A638 HydrophobicContact CB-CB 4.36Å; F542-A638 HydrophobicContact CD1-CB 3.4Å; F542-A638 HydrophobicContact CD2-CB 4.05Å; F542-A638 HydrophobicContact CE1-CB 3.57Å; F542-A638 HydrophobicContact CE2-CB 4.24Å; F542-A638 HydrophobicContact CG-CB 3.67Å; F542-A638 HydrophobicContact CZ-CB 4.02Å; R620-A638 WeakPolarHBondContact O-CA 3.05Å; R620-A638 WeakPolarHBondContact O-CB 3.38Å
639	W	89.4	Confident	83.1	Confident	10 Å²	10	57.4 Å²	57.4	4%	0.038	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-71.3	144.8	168	-59.8	18	0	0	0	108.5	L596 F611 Q614 P618 Q621 T643 C645	L596-W639 HydrophobicContact CD1-CE3 4.36Å; L596-W639 HydrophobicContact CD1-CH2 3.75Å; L596-W639 HydrophobicContact CD1-CZ2 4.32Å; L596-W639 HydrophobicContact CD1-CZ3 3.79Å; L596-W639 HydrophobicContact CD2-CD2 3.64Å; L596-W639 HydrophobicContact CD2-CE3 3.69Å; L596-W639 HydrophobicContact CD2-CG 4.12Å; L596-W639 HydrophobicContact CD2-CH2 4.16Å; L596-W639 HydrophobicContact CD2-CZ2 4.14Å; L596-W639 HydrophobicContact CD2-CZ3 3.96Å; L596-W639 HydrophobicContact CG-CE3 4.49Å; L596-W639 HydrophobicContact CG-CZ3 4.38Å; F611-W639 HydrophobicContact CE2-CH2 4.28Å; F611-W639 AromaticContact CE2-CZ2 3.57Å; F611-W639 HydrophobicContact CE2-CZ2 3.57Å; F611-W639 AromaticContact CZ-CH2 3.94Å; F611-W639 HydrophobicContact CZ-CH2 3.94Å; F611-W639 AromaticContact CZ-CZ2 3.55Å; F611-W639 HydrophobicContact CZ-CZ2 3.55Å; Q614-W639 HydrophobicContact CG-CH2 4.34Å; Q614-W639 HydrophobicContact CG-CZ2 3.94Å; P618-W639 HydrophobicContact CB-CH2 3.87Å; P618-W639 HydrophobicContact CB-CZ2 4.18Å; P618-W639 HydrophobicContact CB-CZ3 4.11Å; Q621-W639 VanDerWaalsContact O-CD1 3.31Å; Q621-W639 PolarHBondContact O-NE1 2.84Å; W639-T643 HydrophobicContact CD2-CG2 4.49Å; W639-T643 HydrophobicContact CE3-CG2 3.63Å; W639-T643 HydrophobicContact CZ3-CG2 4.16Å; W639-C645 HydrophobicContact CZ3-CB 4.17Å
640	A	88.1	Confident	84.3	Confident	5 Å²	5	51.7 Å²	51.7	4%	0.041	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-59.2	142	176	0	0	0	0	0	111.9	F449 P590 Q599 G642 T643	F449-A640 HydrophobicContact CD1-CB 4.41Å; F449-A640 HydrophobicContact CD2-CB 4.15Å; F449-A640 HydrophobicContact CG-CB 4.13Å; P590-A640 HydrophobicContact CB-CB 4.2Å; Q599-A640 HydrophobicContact CG-CB 4.48Å; A640-G642 PolarHBondContact O-N 3.05Å; A640-T643 VanDerWaalsContact O-CB 3.28Å; A640-T643 WeakPolarHBondContact O-CB 3.38Å; A640-T643 PolarHBondContact O-N 3.49Å; A640-T643 VanDerWaalsContact O-N 3.09Å; A640-T643 PolarHBondContact O-OG1 2.68Å
641	E	85.5	Confident	85.2	Confident	53 Å²	53	41.3 Å²	41.3	25%	0.248	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	140.8	174.7	-71.5	-133	148.6	0	0	110.9	R589 G591 T643 C651 Q653	R589-E641 CarbonylContact C-O 3.59Å; R589-E641 WeakPolarHBondContact CB-O 3.26Å; R589-E641 IonicContact NH1-OE2 2.74Å; R589-E641 PolarHBondContact NH1-OE2 3.48Å; R589-E641 VanDerWaalsContact NH1-OE2 3.17Å; G591-E641 WeakPolarHBondContact CA-O 3.34Å; G591-E641 PolarHBondContact N-O 3.04Å; E641-T643 VanDerWaalsContact C-N 3.3Å; E641-C651 CarbonylContact C-O 3.6Å; E641-C651 WeakPolarHBondContact CA-O 3.34Å; E641-Q653 PolarHBondContact OE1-N 2.86Å
642	G	86.3	Confident	85.6	Confident	3 Å²	3	40.1 Å²	40.1	3%	0.031	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-3.7	-173.2	0	0	0	0	0	115.2	A640 C651	A640-G642 PolarHBondContact O-N 3.05Å; G642-C651 PolarHBondContact N-O 3.09Å
643	T	90	Very high	85.3	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.246	C	C	.	.			trans	-60	129.8	175.1	-56.7	0	0	0	0	109.9	G591 L596 Q599 W639 A640 E641 C645 W650 C651	G591-T643 WeakPolarHBondContact CA-OG1 3.25Å; L596-T643 HydrophobicContact CD1-CG2 4.41Å; L596-T643 HydrophobicContact CD2-CG2 3.73Å; L596-T643 HydrophobicContact CG-CG2 3.77Å; Q599-T643 PolarHBondContact NE2-OG1 2.04Å; W639-T643 HydrophobicContact CD2-CG2 4.49Å; W639-T643 HydrophobicContact CE3-CG2 3.63Å; W639-T643 HydrophobicContact CZ3-CG2 4.16Å; A640-T643 VanDerWaalsContact O-CB 3.28Å; A640-T643 WeakPolarHBondContact O-CB 3.38Å; A640-T643 PolarHBondContact O-N 3.49Å; A640-T643 VanDerWaalsContact O-N 3.09Å; A640-T643 PolarHBondContact O-OG1 2.68Å; E641-T643 VanDerWaalsContact C-N 3.3Å; T643-C645 PolarHBondContact O-N 3.44Å; T643-W650 CarbonylContact O-C 3.41Å; T643-W650 VanDerWaalsContact O-CA 3.27Å; T643-W650 WeakPolarHBondContact O-CA 3.27Å; T643-C651 PolarHBondContact O-N 3.2Å; T643-C651 PolarHBondContact O-SG 2.97Å
644	P	89.1	Confident	85.3	Confident	86 Å²	86	38.9 Å²	38.9	56%	0.558	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	128.6	176.9	26.7	-34.1	0	0	0	110.8	K649	P644-K649 WeakPolarHBondContact CA-O 3.35Å
645	C	89.5	Confident	85.3	Confident	23 Å²	23	44 Å²	44	16%	0.155	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-2.8	-176.5	60.9	0	0	0	0	113.1	P618 W639 T643 K649 W650 C656	P618-C645 HydrophobicContact CB-CB 4.13Å; W639-C645 HydrophobicContact CZ3-CB 4.17Å; T643-C645 PolarHBondContact O-N 3.44Å; C645-K649 PolarHBondContact N-O 3.19Å; C645-K649 VanDerWaalsContact SG-C 3.52Å; C645-W650 VanDerWaalsContact SG-CA 3.55Å; C645-W650 PolarHBondContact SG-N 3.48Å; C645-W650 VanDerWaalsContact SG-N 3.41Å; C645-C656 HydrophobicContact CB-CB 3.84Å; C645-C656 WeakPolarHBondContact CB-SG 3.22Å; C645-C656 WeakPolarHBondContact SG-CA 3.33Å; C645-C656 WeakPolarHBondContact SG-CB 3.16Å; C645-C656 CovalentContact SG-SG 2.03Å; C645-C656 PolarHBondContact SG-SG 2.03Å
646	G	84.8	Confident	85.5	Confident	39 Å²	39	45.4 Å²	45.4	40%	0.402	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	175.1	174.2	0	0	0	0	0	110.9	S648 K649	G646-S648 PolarHBondContact O-N 3.02Å; G646-S648 VanDerWaalsContact O-N 3.15Å; G646-K649 PolarHBondContact N-O 3Å; G646-K649 PolarHBondContact O-N 3.41Å
647	S	82.8	Confident	85.7	Confident	121 Å²	121	43.5 Å²	43.5	85%	0.846	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	117.9	176.2	-54.2	0	0	0	0	110.7	K649	S647-K649 PolarHBondContact O-N 2.62Å
648	S	83.7	Confident	85.6	Confident	85 Å²	85	44.8 Å²	44.8	59%	0.594	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	35.1	-173	-51.7	0	0	0	0	114	G646 S658 T659	G646-S648 PolarHBondContact O-N 3.02Å; G646-S648 VanDerWaalsContact O-N 3.15Å; S648-S658 WeakPolarHBondContact O-CA 3.19Å; S648-S658 PolarHBondContact O-OG 2.98Å; S648-T659 PolarHBondContact O-N 3.35Å; S648-T659 PolarHBondContact O-OG1 3.18Å
649	K	87.3	Confident	85.2	Confident	103 Å²	103	47.3 Å²	47.3	45%	0.448	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.6	175.5	-62.4	-171.5	179.7	-172.4	0	113.2	P644 C645 G646 S647 V657	P644-K649 WeakPolarHBondContact CA-O 3.35Å; C645-K649 PolarHBondContact N-O 3.19Å; C645-K649 VanDerWaalsContact SG-C 3.52Å; G646-K649 PolarHBondContact N-O 3Å; G646-K649 PolarHBondContact O-N 3.41Å; S647-K649 PolarHBondContact O-N 2.62Å; K649-V657 CarbonylContact C-O 3.52Å; K649-V657 WeakPolarHBondContact CA-O 3.42Å; K649-V657 VanDerWaalsContact CB-O 3.28Å; K649-V657 WeakPolarHBondContact CB-O 3.46Å
650	W	89.1	Confident	84.3	Confident	21 Å²	21	53.6 Å²	53.6	8%	0.08	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	161.8	-177.6	61.4	-5.5	0	0	0	113	R589 T643 C645 I652 V657 S658 T659 N662	R589-W650 HydrophobicContact CG-CZ3 4.36Å; R589-W650 VanDerWaalsContact NE-CH2 3.34Å; T643-W650 CarbonylContact O-C 3.41Å; T643-W650 VanDerWaalsContact O-CA 3.27Å; T643-W650 WeakPolarHBondContact O-CA 3.27Å; C645-W650 VanDerWaalsContact SG-CA 3.55Å; C645-W650 PolarHBondContact SG-N 3.48Å; C645-W650 VanDerWaalsContact SG-N 3.41Å; W650-I652 HydrophobicContact CZ2-CD1 4.32Å; W650-V657 PolarHBondContact N-O 3.5Å; W650-V657 PolarHBondContact O-N 2.72Å; W650-S658 PolarHBondContact NE1-O 2.72Å; W650-T659 HydrophobicContact CD2-CG2 4.34Å; W650-T659 HydrophobicContact CG-CG2 4.22Å; W650-N662 HydrophobicContact CZ2-CB 4.25Å; W650-N662 WeakPolarHBondContact CZ2-OD1 3.45Å
651	C	87.7	Confident	83.1	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.02	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	123	-178.7	-67.6	0	0	0	0	113.4	C619 E641 G642 T643 R655	C619-C651 WeakPolarHBondContact CA-SG 3.5Å; C619-C651 HydrophobicContact CB-CB 3.55Å; C619-C651 WeakPolarHBondContact CB-SG 2.95Å; C619-C651 WeakPolarHBondContact SG-CA 3.17Å; C619-C651 WeakPolarHBondContact SG-CB 3.26Å; C619-C651 CovalentContact SG-SG 2.02Å; C619-C651 PolarHBondContact SG-SG 2.96Å; E641-C651 CarbonylContact C-O 3.6Å; E641-C651 WeakPolarHBondContact CA-O 3.34Å; G642-C651 PolarHBondContact N-O 3.09Å; T643-C651 PolarHBondContact O-N 3.2Å; T643-C651 PolarHBondContact O-SG 2.97Å; C651-R655 WeakPolarHBondContact CA-O 3.27Å
652	I	82.2	Confident	81.8	Confident	15 Å²	15	60.7 Å²	60.7	8%	0.077	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	129.6	168.6	-57.5	-175.4	0	0	0	108.2	W650 G654 R655 V657 P663	W650-I652 HydrophobicContact CZ2-CD1 4.32Å; I652-G654 VanDerWaalsContact C-N 3.28Å; I652-G654 PolarHBondContact O-N 2.87Å; I652-G654 VanDerWaalsContact O-N 3.14Å; I652-R655 PolarHBondContact N-O 3.36Å; I652-R655 WeakPolarHBondContact O-CB 3.24Å; I652-R655 PolarHBondContact O-N 3.35Å; I652-V657 HydrophobicContact CB-CG2 3.96Å; I652-V657 HydrophobicContact CD1-CG2 3.76Å; I652-V657 HydrophobicContact CG1-CG2 3.82Å; I652-P663 VanDerWaalsContact CD1-CD 3.46Å; I652-P663 HydrophobicContact CD1-CG 3.74Å; I652-P663 HydrophobicContact CG2-CG 4.34Å
653	Q	76.3	Confident	80.6	Confident	79 Å²	79	62.4 Å²	62.4	37%	0.369	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.5	46.9	178.1	-63.6	-174.3	-22	0	0	114.3	P543 E641 R655	P543-Q653 HydrophobicContact CB-CB 4.35Å; P543-Q653 WeakPolarHBondContact CD-O 3.48Å; P543-Q653 HydrophobicContact CG-CB 4.43Å; P543-Q653 WeakPolarHBondContact CG-O 3.39Å; E641-Q653 PolarHBondContact OE1-N 2.86Å; Q653-R655 VanDerWaalsContact C-N 3.26Å; Q653-R655 PolarHBondContact O-N 3.29Å
654	G	79.6	Confident	79.4	Confident	7 Å²	7	67.5 Å²	67.5	7%	0.072	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	11.6	178.4	0	0	0	0	0	115.1	F542 I652	F542-G654 VanDerWaalsContact CD1-CA 3.5Å; F542-G654 VanDerWaalsContact CE1-N 3.29Å; I652-G654 VanDerWaalsContact C-N 3.28Å; I652-G654 PolarHBondContact O-N 2.87Å; I652-G654 VanDerWaalsContact O-N 3.14Å
655	R	85.2	Confident	78.1	Confident	180 Å²	180	65.7 Å²	65.7	68%	0.679	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	145.6	179.8	-59	179.5	-178.9	-170.4	-0.5	111.3	C651 I652 Q653 V657	C651-R655 WeakPolarHBondContact CA-O 3.27Å; I652-R655 PolarHBondContact N-O 3.36Å; I652-R655 WeakPolarHBondContact O-CB 3.24Å; I652-R655 PolarHBondContact O-N 3.35Å; Q653-R655 VanDerWaalsContact C-N 3.26Å; Q653-R655 PolarHBondContact O-N 3.29Å; R655-V657 HydrophobicContact CB-CG1 3.99Å; R655-V657 PolarHBondContact O-N 2.79Å
656	C	87.2	Confident	77.2	Confident	42 Å²	42	67.6 Å²	67.6	28%	0.284	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	92	173.4	-176.3	0	0	0	0	110.4	P618 C645	P618-C656 HydrophobicContact CG-CB 4.27Å; C645-C656 HydrophobicContact CB-CB 3.84Å; C645-C656 WeakPolarHBondContact CB-SG 3.22Å; C645-C656 WeakPolarHBondContact SG-CA 3.33Å; C645-C656 WeakPolarHBondContact SG-CB 3.16Å; C645-C656 CovalentContact SG-SG 2.03Å; C645-C656 PolarHBondContact SG-SG 2.03Å
657	V	84.4	Confident	76.7	Confident	34 Å²	34	70.9 Å²	70.9	21%	0.206	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	166.5	-175.3	-57.1	0	0	0	0	111.2	K649 W650 I652 R655	K649-V657 CarbonylContact C-O 3.52Å; K649-V657 WeakPolarHBondContact CA-O 3.42Å; K649-V657 VanDerWaalsContact CB-O 3.28Å; K649-V657 WeakPolarHBondContact CB-O 3.46Å; W650-V657 PolarHBondContact N-O 3.5Å; W650-V657 PolarHBondContact O-N 2.72Å; I652-V657 HydrophobicContact CB-CG2 3.96Å; I652-V657 HydrophobicContact CD1-CG2 3.76Å; I652-V657 HydrophobicContact CG1-CG2 3.82Å; R655-V657 HydrophobicContact CB-CG1 3.99Å; R655-V657 PolarHBondContact O-N 2.79Å
658	S	82.8	Confident	76	Confident	28 Å²	28	65.6 Å²	65.6	20%	0.196	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	147.7	177.3	-174.4	0	0	0	0	112.2	S648 W650 N660 E661	S648-S658 WeakPolarHBondContact O-CA 3.19Å; S648-S658 PolarHBondContact O-OG 2.98Å; W650-S658 PolarHBondContact NE1-O 2.72Å; S658-N660 PolarHBondContact O-N 2.84Å; S658-N660 PolarHBondContact OG-N 3.47Å; S658-E661 VanDerWaalsContact CB-OE2 3.23Å; S658-E661 WeakPolarHBondContact CB-OE2 3.11Å; S658-E661 PolarHBondContact N-OE2 3.37Å; S658-E661 PolarHBondContact O-N 3.22Å
659	T	78.6	Confident	75.7	Confident	56 Å²	56	65 Å²	65	34%	0.344	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.5	167	49.5	0	0	0	0	113.1	S648 W650	S648-T659 PolarHBondContact O-N 3.35Å; S648-T659 PolarHBondContact O-OG1 3.18Å; W650-T659 HydrophobicContact CD2-CG2 4.34Å; W650-T659 HydrophobicContact CG-CG2 4.22Å
660	N	70.7	Confident	75.2	Confident	143 Å²	143	61.3 Å²	61.3	77%	0.765	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-22.4	177.4	-59.3	2.2	0	0	0	111.8	S658 N662	S658-N660 PolarHBondContact O-N 2.84Å; S658-N660 PolarHBondContact OG-N 3.47Å; N660-N662 PolarHBondContact O-N 3.2Å
661	E	62.5	Low	74.6	Confident	120 Å²	120	60.6 Å²	60.6	56%	0.561	32%	0.321	S	S	*	.			trans	-81.8	61.3	171.9	-67.7	168.8	137.5	0	0	109.2	S658 P663	S658-E661 VanDerWaalsContact CB-OE2 3.23Å; S658-E661 WeakPolarHBondContact CB-OE2 3.11Å; S658-E661 PolarHBondContact N-OE2 3.37Å; S658-E661 PolarHBondContact O-N 3.22Å; E661-P663 WeakPolarHBondContact O-CD 3.45Å; E661-P663 WeakPolarHBondContact O-CG 3.08Å
662	N	58.1	Low	74.1	Confident	86 Å²	86	68 Å²	68	46%	0.46	36%	0.355	S	S	.	.			trans	-79.7	104	175	-152.7	6.1	0	0	0	107.6	R589 W650 N660 T664	R589-N662 PolarHBondContact NH2-OD1 3.01Å; W650-N662 HydrophobicContact CZ2-CB 4.25Å; W650-N662 WeakPolarHBondContact CZ2-OD1 3.45Å; N660-N662 PolarHBondContact O-N 3.2Å; N662-T664 PolarHBondContact O-N 3.43Å; N662-T664 VanDerWaalsContact O-N 3.14Å
663	P	60.5	Low	73.8	Confident	40 Å²	40	70 Å²	70	26%	0.26	36%	0.362	S	S	.	.			trans	-74.6	114.5	-160.2	-19.1	35.4	0	0	0	110.7	I652 E661 N701	I652-P663 VanDerWaalsContact CD1-CD 3.46Å; I652-P663 HydrophobicContact CD1-CG 3.74Å; I652-P663 HydrophobicContact CG2-CG 4.34Å; E661-P663 WeakPolarHBondContact O-CD 3.45Å; E661-P663 WeakPolarHBondContact O-CG 3.08Å; P663-N701 HydrophobicContact CB-CB 3.87Å; P663-N701 WeakPolarHBondContact CB-ND2 3.39Å; P663-N701 WeakPolarHBondContact CB-OD1 3.49Å
664	T	65	Low	73.6	Confident	107 Å²	107	66.6 Å²	66.6	66%	0.656	35%	0.348	S	S	*	.			trans	-66.9	135.6	-178.7	47.6	0	0	0	0	110.6	N662 L666 N701	N662-T664 PolarHBondContact O-N 3.43Å; N662-T664 VanDerWaalsContact O-N 3.14Å; T664-L666 PolarHBondContact O-N 3.35Å; T664-N701 VanDerWaalsContact O-CB 3.31Å; T664-N701 WeakPolarHBondContact O-CB 3.26Å; T664-N701 PolarHBondContact O-ND2 3.31Å
665	P	63.2	Low	73.4	Confident	47 Å²	47	68.5 Å²	68.5	31%	0.305	36%	0.36	S	S	.	.			trans	-57	109.4	175	-26.2	35.4	0	0	0	111.1	M586 H667	M586-P665 HydrophobicContact CE-CB 4.45Å; M586-P665 HydrophobicContact CE-CG 3.42Å; M586-P665 VanDerWaalsContact CE-CG 3.42Å; M586-P665 HydrophobicContact SD-CG 3.74Å; P665-H667 PolarHBondContact O-N 3.47Å
666	L	70.3	Confident	73.1	Confident	63 Å²	63	61.9 Å²	61.9	33%	0.33	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-90.2	107.3	177.5	-171	64.3	0	0	0	107.4	T664 G668 P697 P699 Q700	T664-L666 PolarHBondContact O-N 3.35Å; L666-G668 PolarHBondContact O-N 3.15Å; L666-P697 HydrophobicContact CD1-CG 4Å; L666-P697 HydrophobicContact CD2-CB 3.86Å; L666-P697 HydrophobicContact CD2-CG 3.96Å; L666-P697 HydrophobicContact CG-CB 4.29Å; L666-P697 HydrophobicContact CG-CG 3.81Å; L666-P699 CarbonylContact O-C 3.55Å; L666-P699 VanDerWaalsContact O-CA 3.26Å; L666-P699 WeakPolarHBondContact O-CA 3.44Å; L666-Q700 HydrophobicContact CB-CB 3.94Å; L666-Q700 HydrophobicContact CD2-CB 4.3Å; L666-Q700 HydrophobicContact CD2-CG 4.14Å; L666-Q700 PolarHBondContact N-O 2.63Å; L666-Q700 PolarHBondContact O-N 3.43Å
667	H	73.1	Confident	72.5	Confident	109 Å²	109	62.1 Å²	62.1	51%	0.505	34%	0.337	S	S	.	.			trans	-68.4	129.4	175.8	-64	-68.9	0	0	0	110.1	P665 N704	P665-H667 PolarHBondContact O-N 3.47Å; H667-N704 PolarHBondContact ND1-N 3Å; H667-N704 VanDerWaalsContact ND1-N 3.18Å
668	G	69.5	Low	72.3	Confident	10 Å²	10	66.5 Å²	66.5	10%	0.103	35%	0.353	C	S	.	.			trans	-70	138.3	176.9	0	0	0	0	0	111.1	L666 P697 N704 C706	L666-G668 PolarHBondContact O-N 3.15Å; G668-P697 VanDerWaalsContact CA-O 3.31Å; G668-P697 WeakPolarHBondContact CA-O 3.2Å; G668-N704 PolarHBondContact N-O 3.49Å; G668-C706 PolarHBondContact O-SG 3.2Å
669	N	77.1	Confident	72.3	Confident	71 Å²	71	67.2 Å²	67.2	38%	0.38	36%	0.358	S	S	.	.			trans	-128.9	152.3	171.7	170	66	0	0	0	110.9	N695 N696 P697 C706	N669-N695 PolarHBondContact O-N 3.01Å; N669-N696 VanDerWaalsContact CB-O 3.24Å; N669-N696 WeakPolarHBondContact CB-O 3.46Å; N669-N696 PolarHBondContact ND2-O 3.41Å; N669-N696 CarbonylContact O-C 3.51Å; N669-N696 PolarHBondContact O-N 2.91Å; N669-P697 PolarHBondContact N-O 3.03Å; N669-C706 WeakPolarHBondContact CA-SG 3.49Å; N669-C706 PolarHBondContact N-SG 3.08Å; N669-C706 PolarHBondContact O-SG 3.17Å; N669-C706 VanDerWaalsContact O-SG 3.4Å
670	W	76.9	Confident	72.4	Confident	26 Å²	26	66.9 Å²	66.9	10%	0.098	36%	0.358	C	S	.	.			trans	-68.3	136.2	-169.8	-69.9	108.2	0	0	0	111.6	R692 C694 F705 C706 H707 R710	W670-R692 HydrophobicContact CD2-CG 4.4Å; W670-R692 HydrophobicContact CE3-CG 3.77Å; W670-R692 VanDerWaalsContact CG-CZ 3.47Å; W670-R692 HydrophobicContact CZ3-CG 4.33Å; W670-C694 HydrophobicContact CE3-CB 4.37Å; W670-C694 HydrophobicContact CZ3-CB 4.27Å; W670-F705 HydrophobicContact CH2-CE1 4.36Å; W670-C706 HydrophobicContact CD2-CB 3.61Å; W670-C706 HydrophobicContact CE3-CB 4.14Å; W670-C706 HydrophobicContact CG-CB 3.98Å; W670-C706 HydrophobicContact CH2-CB 4.18Å; W670-C706 HydrophobicContact CZ2-CB 3.65Å; W670-C706 WeakPolarHBondContact CZ2-O 3.4Å; W670-C706 HydrophobicContact CZ3-CB 4.41Å; W670-H707 PolarHBondContact NE1-O 3.15Å; W670-R710 HydrophobicContact CH2-CB 4.03Å; W670-R710 HydrophobicContact CZ3-CB 3.97Å
671	G	75.9	Confident	72.6	Confident	7 Å²	7	62 Å²	62	7%	0.072	33%	0.329	C	S	.	.			trans	-70.2	178.9	165.8	0	0	0	0	0	112.9	R692 E693 N695	G671-R692 WeakPolarHBondContact O-CD 3.35Å; G671-E693 PolarHBondContact N-O 2.93Å; G671-N695 VanDerWaalsContact CA-OD1 3.24Å; G671-N695 WeakPolarHBondContact CA-OD1 3.3Å; G671-N695 PolarHBondContact N-OD1 2.82Å
672	E	76.6	Confident	73.3	Confident	158 Å²	158	61.6 Å²	61.6	74%	0.738	34%	0.34	S	S	*	.			trans	-60.1	156.5	172.4	-81.1	-55.4	145.1	0	0	112.6	G674 R692	E672-G674 PolarHBondContact O-N 2.81Å; E672-R692 WeakPolarHBondContact O-CB 3Å
673	W	76.8	Confident	74.2	Confident	57 Å²	57	59.1 Å²	59.1	22%	0.216	33%	0.328	C	S	.	.			trans	-78.6	102.8	174.8	-72.7	102.4	0	0	0	111.5	S690 R692 R710 R712	W673-S690 WeakPolarHBondContact CZ3-O 3.43Å; W673-R692 HydrophobicContact CD2-CB 4.38Å; W673-R692 HydrophobicContact CD2-CG 4.06Å; W673-R692 HydrophobicContact CE3-CB 4.09Å; W673-R692 HydrophobicContact CE3-CG 3.76Å; W673-R692 HydrophobicContact CH2-CG 4.18Å; W673-R692 HydrophobicContact CZ2-CG 4.45Å; W673-R692 VanDerWaalsContact CZ2-NE 3.32Å; W673-R692 HydrophobicContact CZ3-CG 3.82Å; W673-R710 WeakPolarHBondContact CZ3-O 3.26Å; W673-R712 HydrophobicContact CD2-CG 4.12Å; W673-R712 HydrophobicContact CE3-CB 4.35Å; W673-R712 HydrophobicContact CE3-CG 3.62Å; W673-R712 VanDerWaalsContact CG-CZ 3.45Å; W673-R712 HydrophobicContact CH2-CB 3.74Å; W673-R712 HydrophobicContact CH2-CG 3.95Å; W673-R712 HydrophobicContact CZ2-CB 4.3Å; W673-R712 HydrophobicContact CZ2-CG 4.4Å; W673-R712 HydrophobicContact CZ3-CB 3.77Å; W673-R712 HydrophobicContact CZ3-CG 3.53Å
674	G	71.2	Confident	74.5	Confident	7 Å²	7	58.7 Å²	58.7	7%	0.072	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-51.3	147.9	168.9	0	0	0	0	0	112.7	E672 S690 E691	E672-G674 PolarHBondContact O-N 2.81Å; G674-S690 WeakPolarHBondContact O-CB 3.32Å; G674-S690 PolarHBondContact O-OG 2.98Å; G674-E691 WeakPolarHBondContact CA-O 2.97Å; G674-E691 PolarHBondContact N-O 2.79Å
675	S	76.7	Confident	74.9	Confident	47 Å²	47	53.6 Å²	53.6	33%	0.329	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-63.7	158.5	-166.1	-51.8	0	0	0	0	114.6	P487 P488	P487-S675 WeakPolarHBondContact O-CB 3.36Å; P487-S675 PolarHBondContact O-N 3.13Å; P487-S675 PolarHBondContact O-OG 3.06Å; P488-S675 WeakPolarHBondContact CB-OG 3.41Å
676	W	78.8	Confident	75.6	Confident	42 Å²	42	51.4 Å²	51.4	16%	0.159	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-56.6	134.2	175.4	-61.1	101.1	0	0	0	113.3	I308 Q688 F689 S690 R712 R714	I308-W676 HydrophobicContact CD1-CZ2 3.9Å; I308-W676 HydrophobicContact CG1-CH2 4.11Å; I308-W676 HydrophobicContact CG1-CZ2 3.87Å; I308-W676 HydrophobicContact CG2-CH2 4.11Å; I308-W676 HydrophobicContact CG2-CZ2 4.37Å; W676-Q688 HydrophobicContact CB-CB 4.24Å; W676-Q688 HydrophobicContact CE3-CB 3.88Å; W676-Q688 WeakPolarHBondContact CZ3-O 3.23Å; W676-F689 CarbonylContact C-O 3.57Å; W676-F689 WeakPolarHBondContact CA-O 3.37Å; W676-S690 VanDerWaalsContact CE3-CB 3.47Å; W676-R712 HydrophobicContact CH2-CB 4.46Å; W676-R712 HydrophobicContact CH2-CG 3.67Å; W676-R712 HydrophobicContact CZ2-CG 4.29Å; W676-R712 HydrophobicContact CZ3-CG 4.12Å; W676-R714 HydrophobicContact CD2-CG 4.23Å; W676-R714 HydrophobicContact CE3-CG 3.83Å; W676-R714 HydrophobicContact CH2-CB 4.03Å; W676-R714 HydrophobicContact CH2-CG 3.96Å; W676-R714 HydrophobicContact CZ2-CG 4.36Å; W676-R714 HydrophobicContact CZ3-CB 4.07Å; W676-R714 HydrophobicContact CZ3-CG 3.69Å
677	S	73.5	Confident	76.1	Confident	47 Å²	47	48.4 Å²	48.4	33%	0.329	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-59.9	173.5	176	71.4	0	0	0	0	112.7	Q688 F689	S677-Q688 WeakPolarHBondContact O-CG 3.4Å; S677-Q688 PolarHBondContact O-NE2 3.2Å; S677-Q688 WeakPolarHBondContact OG-CA 3.4Å; S677-F689 PolarHBondContact N-O 3.42Å; S677-F689 PolarHBondContact OG-N 2.86Å
678	K	79.9	Confident	76.5	Confident	125 Å²	125	44.6 Å²	44.6	54%	0.543	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-57.3	144.7	158.9	-71.2	-172.4	170.6	-172.1	0	109.4	R490 S491 S492	R490-K678 WeakPolarHBondContact O-CE 3.11Å; R490-K678 PolarHBondContact O-NZ 2.74Å; R490-K678 VanDerWaalsContact O-NZ 3.12Å; S491-K678 PolarHBondContact O-NZ 2.71Å; S492-K678 PolarHBondContact O-NZ 2.84Å
679	C	83.7	Confident	76.8	Confident	43 Å²	43	45.9 Å²	45.9	29%	0.291	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-67.7	133.3	173.9	-176.6	0	0	0	0	109.8	R681 V687 Q688 C716	C679-R681 PolarHBondContact O-N 3.48Å; C679-R681 PolarHBondContact SG-O 2.81Å; C679-V687 WeakPolarHBondContact CA-O 3.25Å; C679-Q688 HydrophobicContact CB-CG 4.1Å; C679-C716 WeakPolarHBondContact CA-SG 3.27Å; C679-C716 HydrophobicContact CB-CB 3.86Å; C679-C716 WeakPolarHBondContact CB-SG 3.47Å; C679-C716 WeakPolarHBondContact SG-CB 3.2Å; C679-C716 CovalentContact SG-SG 2.01Å; C679-C716 PolarHBondContact SG-SG 2.87Å
680	S	79.4	Confident	76.6	Confident	49 Å²	49	42.6 Å²	42.6	34%	0.343	24%	0.238	S	C	.	.	S	Bend	trans	-64.4	-26.6	-173.9	72.5	0	0	0	0	114.1	G686 V687 D775	S680-G686 WeakPolarHBondContact OG-CA 3.14Å; S680-V687 PolarHBondContact N-O 3.23Å; S680-V687 PolarHBondContact OG-N 2.8Å; S680-D775 WeakPolarHBondContact CB-O 3.29Å; S680-D775 VanDerWaalsContact OG-C 3.31Å; S680-D775 PolarHBondContact OG-O 3.34Å
681	R	75.7	Confident	76	Confident	40 Å²	40	45.7 Å²	45.7	15%	0.151	25%	0.254	C	S	.	.			trans	-141.7	137.3	175.5	-68.7	-178.3	56.5	-149.8	-9.9	110.3	C679 C683 G684 G685 G776	C679-R681 PolarHBondContact O-N 3.48Å; C679-R681 PolarHBondContact SG-O 2.81Å; R681-C683 VanDerWaalsContact C-N 3.29Å; R681-C683 PolarHBondContact NE-O 3.2Å; R681-C683 PolarHBondContact NH2-O 3.35Å; R681-C683 PolarHBondContact O-N 3.39Å; R681-G684 PolarHBondContact NH1-O 2.72Å; R681-G684 PolarHBondContact NH2-O 3.36Å; R681-G685 WeakPolarHBondContact CD-O 3.3Å; R681-G685 PolarHBondContact NH1-O 3.02Å; R681-G776 VanDerWaalsContact CD-C 3.49Å; R681-G776 WeakPolarHBondContact CD-O 3.47Å; R681-G776 PolarHBondContact NH1-O 3.19Å
682	S	76.8	Confident	75.9	Confident	113 Å²	113	47.2 Å²	47.2	79%	0.79	26%	0.257	S	S	*	.	S	Bend	trans	-71.7	-21.8	176.7	48.6	0	0	0	0	113.9
683	C	77.8	Confident	75.5	Confident	33 Å²	33	42.1 Å²	42.1	22%	0.223	23%	0.233	C	C	.	.	S	Bend	trans	-151	158.6	-178.2	64.1	0	0	0	0	111.1	R681 G717 E719 C721	R681-C683 VanDerWaalsContact C-N 3.29Å; R681-C683 PolarHBondContact NE-O 3.2Å; R681-C683 PolarHBondContact NH2-O 3.35Å; R681-C683 PolarHBondContact O-N 3.39Å; C683-G717 CarbonylContact C-O 3.57Å; C683-G717 VanDerWaalsContact CA-O 3.23Å; C683-G717 WeakPolarHBondContact CA-O 3.06Å; C683-E719 CarbonylContact C-O 3.51Å; C683-E719 VanDerWaalsContact CA-O 3.23Å; C683-E719 WeakPolarHBondContact CA-O 3.39Å; C683-E719 VanDerWaalsContact CB-O 3.28Å; C683-E719 WeakPolarHBondContact CB-O 3.03Å; C683-C721 HydrophobicContact CB-CB 3.95Å; C683-C721 WeakPolarHBondContact CB-SG 3.27Å; C683-C721 PolarHBondContact O-SG 3.32Å; C683-C721 WeakPolarHBondContact SG-CA 3.36Å; C683-C721 WeakPolarHBondContact SG-CB 3.26Å; C683-C721 CovalentContact SG-SG 2.04Å; C683-C721 PolarHBondContact SG-SG 3.32Å
684	G	67.2	Low	75.1	Confident	31 Å²	31	39.7 Å²	39.7	32%	0.32	23%	0.225	S	C	.	.	S	Bend	trans	73.5	29.8	171.1	0	0	0	0	0	114.8	R681 G717 E719	R681-G684 PolarHBondContact NH1-O 2.72Å; R681-G684 PolarHBondContact NH2-O 3.36Å; G684-G717 PolarHBondContact N-O 3.45Å; G684-E719 PolarHBondContact N-O 2.87Å
685	G	72.6	Confident	75.2	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.01	24%	0.238	C	C	.	.	S	Bend	trans	87.5	117.6	179.9	0	0	0	0	0	112.7	R681 G717 G776	R681-G685 WeakPolarHBondContact CD-O 3.3Å; R681-G685 PolarHBondContact NH1-O 3.02Å; G685-G717 PolarHBondContact N-O 3.31Å; G685-G776 WeakPolarHBondContact O-CA 3.24Å
686	G	78.8	Confident	75.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	-179.8	176	0	0	0	0	0	111.2	S680 S715 C716	S680-G686 WeakPolarHBondContact OG-CA 3.14Å; G686-S715 CarbonylContact O-C 3.58Å; G686-S715 WeakPolarHBondContact O-CA 3.24Å; G686-C716 CarbonylContact C-O 3.54Å; G686-C716 WeakPolarHBondContact CA-O 3.4Å; G686-C716 PolarHBondContact N-O 3.31Å; G686-C716 PolarHBondContact O-N 2.86Å
687	V	79.6	Confident	75.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	153.5	-174.8	-58.5	0	0	0	0	113.4	C679 S680 F689 R714 C716 D775 I786 I788 L801	C679-V687 WeakPolarHBondContact CA-O 3.25Å; S680-V687 PolarHBondContact N-O 3.23Å; S680-V687 PolarHBondContact OG-N 2.8Å; V687-F689 HydrophobicContact CG2-CE2 3.83Å; V687-F689 HydrophobicContact CG2-CZ 3.98Å; V687-R714 WeakPolarHBondContact CA-O 3.34Å; V687-C716 VanDerWaalsContact CA-SG 3.53Å; V687-C716 PolarHBondContact N-SG 3.23Å; V687-C716 VanDerWaalsContact N-SG 3.36Å; V687-C716 PolarHBondContact O-SG 2.99Å; V687-D775 HydrophobicContact CG2-CB 3.85Å; V687-I786 HydrophobicContact CG1-CD1 3.82Å; V687-I788 HydrophobicContact CG1-CD1 3.69Å; V687-I788 HydrophobicContact CG1-CG1 4.09Å; V687-I788 HydrophobicContact CG2-CG2 4.42Å; V687-L801 HydrophobicContact CG1-CD1 3.63Å
688	Q	81.7	Confident	74.6	Confident	30 Å²	30	47.1 Å²	47.1	14%	0.14	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.7	164.4	-69.4	176.4	-63	0	0	109.7	W676 S677 C679 M713 R714 C716	W676-Q688 HydrophobicContact CB-CB 4.24Å; W676-Q688 HydrophobicContact CE3-CB 3.88Å; W676-Q688 WeakPolarHBondContact CZ3-O 3.23Å; S677-Q688 WeakPolarHBondContact O-CG 3.4Å; S677-Q688 PolarHBondContact O-NE2 3.2Å; S677-Q688 WeakPolarHBondContact OG-CA 3.4Å; C679-Q688 HydrophobicContact CB-CG 4.1Å; Q688-M713 CarbonylContact O-C 3.53Å; Q688-M713 VanDerWaalsContact O-CA 3.28Å; Q688-M713 WeakPolarHBondContact O-CA 3.28Å; Q688-R714 HydrophobicContact CB-CG 4.18Å; Q688-R714 PolarHBondContact N-O 3.07Å; Q688-R714 PolarHBondContact O-N 3.01Å; Q688-R714 VanDerWaalsContact OE1-CZ 3.29Å; Q688-C716 HydrophobicContact CG-CB 4.17Å
689	F	75.4	Confident	73.9	Confident	36 Å²	36	41.4 Å²	41.4	16%	0.158	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	152.3	171.4	-57.1	-88	0	0	0	110	W676 S677 V687 T711 R712 M713 D775 I788 Q789	W676-F689 CarbonylContact C-O 3.57Å; W676-F689 WeakPolarHBondContact CA-O 3.37Å; S677-F689 PolarHBondContact N-O 3.42Å; S677-F689 PolarHBondContact OG-N 2.86Å; V687-F689 HydrophobicContact CG2-CE2 3.83Å; V687-F689 HydrophobicContact CG2-CZ 3.98Å; F689-T711 HydrophobicContact CB-CG2 4.34Å; F689-T711 HydrophobicContact CD1-CG2 3.99Å; F689-R712 CarbonylContact C-O 3.6Å; F689-R712 WeakPolarHBondContact CA-O 3.36Å; F689-M713 HydrophobicContact CD1-CB 4.28Å; F689-M713 HydrophobicContact CE1-CE 4.26Å; F689-D775 WeakPolarHBondContact CE2-OD2 3.46Å; F689-D775 VanDerWaalsContact CZ-OD2 3.26Å; F689-D775 WeakPolarHBondContact CZ-OD2 3.4Å; F689-I788 HydrophobicContact CE1-CG2 3.87Å; F689-I788 HydrophobicContact CZ-CG2 3.59Å; F689-Q789 HydrophobicContact CE1-CG 4.18Å; F689-Q789 HydrophobicContact CZ-CG 4Å
690	S	74.4	Confident	73	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.014	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	133.1	170.6	157.4	0	0	0	0	106.6	W673 G674 W676 T711 R712	W673-S690 WeakPolarHBondContact CZ3-O 3.43Å; G674-S690 WeakPolarHBondContact O-CB 3.32Å; G674-S690 PolarHBondContact O-OG 2.98Å; W676-S690 VanDerWaalsContact CE3-CB 3.47Å; S690-T711 WeakPolarHBondContact O-CA 3.34Å; S690-R712 PolarHBondContact N-O 2.73Å; S690-R712 PolarHBondContact O-N 3.35Å; S690-R712 PolarHBondContact OG-NE 2.95Å; S690-R712 PolarHBondContact OG-NH2 2.71Å; S690-R712 VanDerWaalsContact OG-NH2 3.15Å
691	E	62.8	Low	72.2	Confident	92 Å²	92	44 Å²	44	43%	0.43	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	162.9	-171.9	-53.4	-144.1	134.8	0	0	111.6	G674 R710 T711	G674-E691 WeakPolarHBondContact CA-O 2.97Å; G674-E691 PolarHBondContact N-O 2.79Å; E691-R710 CarbonylContact C-O 3.43Å; E691-R710 WeakPolarHBondContact CA-O 3.44Å; E691-R710 HydrophobicContact CB-CG 4.39Å; E691-T711 HydrophobicContact CG-CG2 4.1Å; E691-T711 WeakPolarHBondContact OE1-CG2 3.49Å; E691-T711 PolarHBondContact OE1-OG1 2.74Å
692	R	75.3	Confident	71.2	Confident	39 Å²	39	43.5 Å²	43.5	15%	0.147	25%	0.246	C	C	.	.			trans	-144.5	139.2	173.1	58	179.2	-177.4	170.7	-1.3	112.1	W670 G671 E672 W673 T709 R710	W670-R692 HydrophobicContact CD2-CG 4.4Å; W670-R692 HydrophobicContact CE3-CG 3.77Å; W670-R692 VanDerWaalsContact CG-CZ 3.47Å; W670-R692 HydrophobicContact CZ3-CG 4.33Å; G671-R692 WeakPolarHBondContact O-CD 3.35Å; E672-R692 WeakPolarHBondContact O-CB 3Å; W673-R692 HydrophobicContact CD2-CB 4.38Å; W673-R692 HydrophobicContact CD2-CG 4.06Å; W673-R692 HydrophobicContact CE3-CB 4.09Å; W673-R692 HydrophobicContact CE3-CG 3.76Å; W673-R692 HydrophobicContact CH2-CG 4.18Å; W673-R692 HydrophobicContact CZ2-CG 4.45Å; W673-R692 VanDerWaalsContact CZ2-NE 3.32Å; W673-R692 HydrophobicContact CZ3-CG 3.82Å; R692-T709 PolarHBondContact NE-O 2.92Å; R692-T709 PolarHBondContact NH2-O 2.84Å; R692-R710 PolarHBondContact N-O 2.92Å; R692-R710 WeakPolarHBondContact O-CG 3.3Å
693	E	66.2	Low	70.5	Confident	50 Å²	50	38.5 Å²	38.5	23%	0.234	21%	0.212	C	C	.	.			trans	-77.5	160.6	176.5	-66.9	-87.8	80.1	0	0	110.8	K358 G671 N695	K358-E693 IonicContact NZ-OE1 3.95Å; K358-E693 PolarHBondContact NZ-OE1 3.31Å; K358-E693 IonicContact NZ-OE2 3.6Å; K358-E693 PolarHBondContact NZ-OE2 2.99Å; G671-E693 PolarHBondContact N-O 2.93Å; E693-N695 HydrophobicContact CB-CB 3.96Å; E693-N695 VanDerWaalsContact CB-CG 3.45Å; E693-N695 PolarHBondContact O-N 2.7Å; E693-N695 PolarHBondContact O-OD1 3.35Å
694	C	68.7	Low	69.8	Low	7 Å²	7	40.1 Å²	40.1	5%	0.047	22%	0.219	C	C	.	.	S	Bend	trans	-96.1	70.4	172.2	178.9	0	0	0	0	108	W670 E698 P699 F705 C706	W670-C694 HydrophobicContact CE3-CB 4.37Å; W670-C694 HydrophobicContact CZ3-CB 4.27Å; C694-E698 WeakPolarHBondContact O-CA 3.26Å; C694-P699 WeakPolarHBondContact O-CD 3.43Å; C694-F705 HydrophobicContact CB-CD1 4.45Å; C694-F705 HydrophobicContact CB-CE1 3.67Å; C694-F705 HydrophobicContact CB-CE2 3.71Å; C694-F705 HydrophobicContact CB-CZ 3.22Å; C694-C706 WeakPolarHBondContact CA-SG 3.24Å; C694-C706 HydrophobicContact CB-CB 3.89Å; C694-C706 WeakPolarHBondContact CB-SG 3.36Å; C694-C706 WeakPolarHBondContact SG-CB 3.36Å; C694-C706 PolarHBondContact SG-N 2.03Å; C694-C706 CovalentContact SG-SG 2.02Å; C694-C706 PolarHBondContact SG-SG 2.93Å
695	N	73.6	Confident	69.7	Low	65 Å²	65	39.9 Å²	39.9	35%	0.348	21%	0.209	S	C	.	.			trans	-135.9	8.1	-162.1	67.4	-18.7	0	0	0	115.5	N669 G671 E693 P697 E698	N669-N695 PolarHBondContact O-N 3.01Å; G671-N695 VanDerWaalsContact CA-OD1 3.24Å; G671-N695 WeakPolarHBondContact CA-OD1 3.3Å; G671-N695 PolarHBondContact N-OD1 2.82Å; E693-N695 HydrophobicContact CB-CB 3.96Å; E693-N695 VanDerWaalsContact CB-CG 3.45Å; E693-N695 PolarHBondContact O-N 2.7Å; E693-N695 PolarHBondContact O-OD1 3.35Å; N695-P697 VanDerWaalsContact C-CA 3.43Å; N695-P697 CarbonylContact C-O 3.58Å; N695-P697 CarbonylContact O-C 3.48Å; N695-P697 WeakPolarHBondContact O-CA 3.41Å; N695-E698 VanDerWaalsContact C-N 3.33Å; N695-E698 HydrophobicContact CB-CG 3.81Å; N695-E698 PolarHBondContact O-N 2.96Å
696	N	74.4	Confident	69.4	Low	95 Å²	95	40.4 Å²	40.4	51%	0.508	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	65.4	179.7	-170.7	16.6	0	0	0	112.7	N669	N669-N696 VanDerWaalsContact CB-O 3.24Å; N669-N696 WeakPolarHBondContact CB-O 3.46Å; N669-N696 PolarHBondContact ND2-O 3.41Å; N669-N696 CarbonylContact O-C 3.51Å; N669-N696 PolarHBondContact O-N 2.91Å
697	P	79.3	Confident	68.4	Low	50 Å²	50	45.4 Å²	45.4	33%	0.325	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87.3	171.1	-0.3	36.4	-35.8	0	0	0	112.5	L666 G668 N669 N695	L666-P697 HydrophobicContact CD1-CG 4Å; L666-P697 HydrophobicContact CD2-CB 3.86Å; L666-P697 HydrophobicContact CD2-CG 3.96Å; L666-P697 HydrophobicContact CG-CB 4.29Å; L666-P697 HydrophobicContact CG-CG 3.81Å; G668-P697 VanDerWaalsContact CA-O 3.31Å; G668-P697 WeakPolarHBondContact CA-O 3.2Å; N669-P697 PolarHBondContact N-O 3.03Å; N695-P697 VanDerWaalsContact C-CA 3.43Å; N695-P697 CarbonylContact C-O 3.58Å; N695-P697 CarbonylContact O-C 3.48Å; N695-P697 WeakPolarHBondContact O-CA 3.41Å
698	E	63.9	Low	67.3	Low	89 Å²	89	46.9 Å²	46.9	42%	0.416	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-64.1	144.6	162.2	-76.2	-160.8	142.3	0	0	110.3	C694 N695 Q700	C694-E698 WeakPolarHBondContact O-CA 3.26Å; N695-E698 VanDerWaalsContact C-N 3.33Å; N695-E698 HydrophobicContact CB-CG 3.81Å; N695-E698 PolarHBondContact O-N 2.96Å; E698-Q700 PolarHBondContact O-N 3.15Å
699	P	65.2	Low	65.9	Low	5 Å²	5	46.5 Å²	46.5	3%	0.032	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-66	132.4	172.9	24.1	-28	0	0	0	110.2	P355 L666 C694 G703 F705	P355-P699 HydrophobicContact CB-CG 4.17Å; P355-P699 HydrophobicContact CG-CG 4.18Å; P355-P699 WeakPolarHBondContact CG-O 3.05Å; L666-P699 CarbonylContact O-C 3.55Å; L666-P699 VanDerWaalsContact O-CA 3.26Å; L666-P699 WeakPolarHBondContact O-CA 3.44Å; C694-P699 WeakPolarHBondContact O-CD 3.43Å; P699-G703 WeakPolarHBondContact CB-O 3.01Å; P699-F705 HydrophobicContact CG-CD2 3.74Å; P699-F705 HydrophobicContact CG-CE2 4.17Å
700	Q	63.9	Low	65.1	Low	93 Å²	93	46.8 Å²	46.8	44%	0.435	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-136.4	162.3	179.5	-57.7	177	0.7	0	0	110.6	L666 E698 G702 G703	L666-Q700 HydrophobicContact CB-CB 3.94Å; L666-Q700 HydrophobicContact CD2-CB 4.3Å; L666-Q700 HydrophobicContact CD2-CG 4.14Å; L666-Q700 PolarHBondContact N-O 2.63Å; L666-Q700 PolarHBondContact O-N 3.43Å; E698-Q700 PolarHBondContact O-N 3.15Å; Q700-G702 PolarHBondContact O-N 3.31Å; Q700-G702 VanDerWaalsContact O-N 3.12Å; Q700-G703 PolarHBondContact O-N 2.68Å
701	N	63.3	Low	64.3	Low	52 Å²	52	47.9 Å²	47.9	28%	0.278	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	33.5	171.5	-46.6	-34.5	0	0	0	114.3	P663 T664 G703	P663-N701 HydrophobicContact CB-CB 3.87Å; P663-N701 WeakPolarHBondContact CB-ND2 3.39Å; P663-N701 WeakPolarHBondContact CB-OD1 3.49Å; T664-N701 VanDerWaalsContact O-CB 3.31Å; T664-N701 WeakPolarHBondContact O-CB 3.26Å; T664-N701 PolarHBondContact O-ND2 3.31Å; N701-G703 VanDerWaalsContact C-N 3.34Å
702	G	54	Low	64.5	Low	31 Å²	31	45.7 Å²	45.7	32%	0.32	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	6.5	-177.8	0	0	0	0	0	115.5	Q700	Q700-G702 PolarHBondContact O-N 3.31Å; Q700-G702 VanDerWaalsContact O-N 3.12Å
703	G	61.8	Low	64.2	Low	7 Å²	7	43.9 Å²	43.9	7%	0.072	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-64.9	143.7	174.8	0	0	0	0	0	113.4	P699 Q700 N701	P699-G703 WeakPolarHBondContact CB-O 3.01Å; Q700-G703 PolarHBondContact O-N 2.68Å; N701-G703 VanDerWaalsContact C-N 3.34Å
704	N	63.4	Low	64.6	Low	68 Å²	68	43 Å²	43	36%	0.364	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-53.2	143.3	-178.2	-58.9	-12.8	0	0	0	113.2	H667 G668	H667-N704 PolarHBondContact ND1-N 3Å; H667-N704 VanDerWaalsContact ND1-N 3.18Å; G668-N704 PolarHBondContact N-O 3.49Å
705	F	64.9	Low	64.9	Low	26 Å²	26	42.7 Å²	42.7	11%	0.114	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-70.2	158.7	170.2	-159.6	-93.4	0	0	0	111.8	K358 W670 C694 P699 H707	K358-F705 HydrophobicContact CB-CZ 4.32Å; K358-F705 WeakPolarHBondContact O-CE1 3.48Å; K358-F705 VanDerWaalsContact O-CZ 3.28Å; K358-F705 WeakPolarHBondContact O-CZ 3.47Å; W670-F705 HydrophobicContact CH2-CE1 4.36Å; C694-F705 HydrophobicContact CB-CD1 4.45Å; C694-F705 HydrophobicContact CB-CE1 3.67Å; C694-F705 HydrophobicContact CB-CE2 3.71Å; C694-F705 HydrophobicContact CB-CZ 3.22Å; P699-F705 HydrophobicContact CG-CD2 3.74Å; P699-F705 HydrophobicContact CG-CE2 4.17Å; F705-H707 PolarHBondContact O-N 2.95Å
706	C	66.9	Low	65.4	Low	11 Å²	11	40.1 Å²	40.1	7%	0.074	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-58.1	124.7	-176.6	-58	0	0	0	0	113.7	G668 N669 W670 C694	G668-C706 PolarHBondContact O-SG 3.2Å; N669-C706 WeakPolarHBondContact CA-SG 3.49Å; N669-C706 PolarHBondContact N-SG 3.08Å; N669-C706 PolarHBondContact O-SG 3.17Å; N669-C706 VanDerWaalsContact O-SG 3.4Å; W670-C706 HydrophobicContact CD2-CB 3.61Å; W670-C706 HydrophobicContact CE3-CB 4.14Å; W670-C706 HydrophobicContact CG-CB 3.98Å; W670-C706 HydrophobicContact CH2-CB 4.18Å; W670-C706 HydrophobicContact CZ2-CB 3.65Å; W670-C706 WeakPolarHBondContact CZ2-O 3.4Å; W670-C706 HydrophobicContact CZ3-CB 4.41Å; C694-C706 WeakPolarHBondContact CA-SG 3.24Å; C694-C706 HydrophobicContact CB-CB 3.89Å; C694-C706 WeakPolarHBondContact CB-SG 3.36Å; C694-C706 WeakPolarHBondContact SG-CB 3.36Å; C694-C706 PolarHBondContact SG-N 2.03Å; C694-C706 CovalentContact SG-SG 2.02Å; C694-C706 PolarHBondContact SG-SG 2.93Å
707	H	58.3	Low	65.6	Low	105 Å²	105	36.6 Å²	36.6	49%	0.486	20%	0.203	S	C	.	.	S	Bend	trans	-81.6	128.2	172.8	-65.3	-84.7	0	0	0	111	Y313 W670 F705	Y313-H707 HydrophobicContact CE2-CB 4.49Å; W670-H707 PolarHBondContact NE1-O 3.15Å; F705-H707 PolarHBondContact O-N 2.95Å
708	G	55.2	Low	65.2	Low	32 Å²	32	36.3 Å²	36.3	33%	0.33	20%	0.199	S	C	.	.	S	Bend	trans	128.9	-154.4	-174	0	0	0	0	0	110.6
709	T	52.3	Low	65.5	Low	21 Å²	21	39 Å²	39	13%	0.129	21%	0.212	C	C	.	.			trans	-127.9	146.3	-179.6	57.7	0	0	0	0	114.2	F311 R692	F311-T709 HydrophobicContact CB-CG2 3.69Å; F311-T709 PolarHBondContact O-OG1 3.04Å; R692-T709 PolarHBondContact NE-O 2.92Å; R692-T709 PolarHBondContact NH2-O 2.84Å
710	R	58.9	Low	65.5	Low	43 Å²	43	44.1 Å²	44.1	16%	0.162	25%	0.245	C	C	.	.	S	Bend	trans	-73.4	-34.8	177.3	170.8	165.4	-60.7	122.9	17.3	113.6	K358 W670 W673 E691 R692	K358-R710 PolarHBondContact O-NH1 3.14Å; K358-R710 VanDerWaalsContact O-NH1 3.16Å; K358-R710 PolarHBondContact O-NH2 3.4Å; W670-R710 HydrophobicContact CH2-CB 4.03Å; W670-R710 HydrophobicContact CZ3-CB 3.97Å; W673-R710 WeakPolarHBondContact CZ3-O 3.26Å; E691-R710 CarbonylContact C-O 3.43Å; E691-R710 WeakPolarHBondContact CA-O 3.44Å; E691-R710 HydrophobicContact CB-CG 4.39Å; R692-R710 PolarHBondContact N-O 2.92Å; R692-R710 WeakPolarHBondContact O-CG 3.3Å
711	T	57.8	Low	65.5	Low	24 Å²	24	41.4 Å²	41.4	15%	0.147	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.1	-167.5	-45.7	0	0	0	0	110.9	F689 S690 E691	F689-T711 HydrophobicContact CB-CG2 4.34Å; F689-T711 HydrophobicContact CD1-CG2 3.99Å; S690-T711 WeakPolarHBondContact O-CA 3.34Å; E691-T711 HydrophobicContact CG-CG2 4.1Å; E691-T711 WeakPolarHBondContact OE1-CG2 3.49Å; E691-T711 PolarHBondContact OE1-OG1 2.74Å
712	R	67.8	Low	65.7	Low	46 Å²	46	48.3 Å²	48.3	17%	0.174	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	153.2	167.6	65.3	-178.6	179	176.6	2	109.5	I308 L309 W673 W676 F689 S690	I308-R712 HydrophobicContact CG2-CB 4.34Å; L309-R712 WeakPolarHBondContact O-CA 3.2Å; W673-R712 HydrophobicContact CD2-CG 4.12Å; W673-R712 HydrophobicContact CE3-CB 4.35Å; W673-R712 HydrophobicContact CE3-CG 3.62Å; W673-R712 VanDerWaalsContact CG-CZ 3.45Å; W673-R712 HydrophobicContact CH2-CB 3.74Å; W673-R712 HydrophobicContact CH2-CG 3.95Å; W673-R712 HydrophobicContact CZ2-CB 4.3Å; W673-R712 HydrophobicContact CZ2-CG 4.4Å; W673-R712 HydrophobicContact CZ3-CB 3.77Å; W673-R712 HydrophobicContact CZ3-CG 3.53Å; W676-R712 HydrophobicContact CH2-CB 4.46Å; W676-R712 HydrophobicContact CH2-CG 3.67Å; W676-R712 HydrophobicContact CZ2-CG 4.29Å; W676-R712 HydrophobicContact CZ3-CG 4.12Å; F689-R712 CarbonylContact C-O 3.6Å; F689-R712 WeakPolarHBondContact CA-O 3.36Å; S690-R712 PolarHBondContact N-O 2.73Å; S690-R712 PolarHBondContact O-N 3.35Å; S690-R712 PolarHBondContact OG-NE 2.95Å; S690-R712 PolarHBondContact OG-NH2 2.71Å; S690-R712 VanDerWaalsContact OG-NH2 3.15Å
713	M	68.6	Low	65.9	Low	1 Å²	1	54.5 Å²	54.5	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	157.5	-179.8	66.6	178.2	70.1	0	0	112.5	L309 F311 Q688 F689 I788 W793 L801	L309-M713 HydrophobicContact CB-CG 3.86Å; L309-M713 HydrophobicContact CD1-CG 4.49Å; L309-M713 PolarHBondContact N-O 2.7Å; L309-M713 PolarHBondContact O-N 2.91Å; F311-M713 HydrophobicContact CE2-CE 4.01Å; F311-M713 HydrophobicContact CZ-CE 3.87Å; Q688-M713 CarbonylContact O-C 3.53Å; Q688-M713 VanDerWaalsContact O-CA 3.28Å; Q688-M713 WeakPolarHBondContact O-CA 3.28Å; F689-M713 HydrophobicContact CD1-CB 4.28Å; F689-M713 HydrophobicContact CE1-CE 4.26Å; M713-I788 HydrophobicContact CE-CG2 4.32Å; M713-I788 HydrophobicContact SD-CD1 4.05Å; M713-W793 HydrophobicContact CE-CH2 3.53Å; M713-W793 HydrophobicContact CE-CZ2 3.73Å; M713-W793 HydrophobicContact CE-CZ3 4.1Å; M713-W793 HydrophobicContact SD-CE3 4.1Å; M713-W793 HydrophobicContact SD-CH2 3.76Å; M713-W793 HydrophobicContact SD-CZ2 4.26Å; M713-W793 HydrophobicContact SD-CZ3 3.66Å; M713-L801 HydrophobicContact CG-CD1 4.3Å; M713-L801 HydrophobicContact SD-CD1 3.96Å
714	R	74.8	Confident	65.7	Low	33 Å²	33	63 Å²	63	13%	0.125	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	153.9	169.8	71	-177.9	-171	-179.6	4.7	111	W676 V687 Q688	W676-R714 HydrophobicContact CD2-CG 4.23Å; W676-R714 HydrophobicContact CE3-CG 3.83Å; W676-R714 HydrophobicContact CH2-CB 4.03Å; W676-R714 HydrophobicContact CH2-CG 3.96Å; W676-R714 HydrophobicContact CZ2-CG 4.36Å; W676-R714 HydrophobicContact CZ3-CB 4.07Å; W676-R714 HydrophobicContact CZ3-CG 3.69Å; V687-R714 WeakPolarHBondContact CA-O 3.34Å; Q688-R714 HydrophobicContact CB-CG 4.18Å; Q688-R714 PolarHBondContact N-O 3.07Å; Q688-R714 PolarHBondContact O-N 3.01Å; Q688-R714 VanDerWaalsContact OE1-CZ 3.29Å
715	S	75.3	Confident	65.4	Low	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	154.9	170.5	-79	0	0	0	0	112.7	N306 G686 G799 I800 L801	N306-S715 PolarHBondContact ND2-O 3.37Å; G686-S715 CarbonylContact O-C 3.58Å; G686-S715 WeakPolarHBondContact O-CA 3.24Å; S715-G799 PolarHBondContact OG-O 2.8Å; S715-I800 WeakPolarHBondContact OG-CA 3.08Å; S715-L801 PolarHBondContact OG-N 3.14Å
716	C	84.2	Confident	65.5	Low	11 Å²	11	67.4 Å²	67.4	7%	0.074	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	168.1	174.5	61.6	0	0	0	0	109.7	C679 G686 V687 Q688 N718	C679-C716 WeakPolarHBondContact CA-SG 3.27Å; C679-C716 HydrophobicContact CB-CB 3.86Å; C679-C716 WeakPolarHBondContact CB-SG 3.47Å; C679-C716 WeakPolarHBondContact SG-CB 3.2Å; C679-C716 CovalentContact SG-SG 2.01Å; C679-C716 PolarHBondContact SG-SG 2.87Å; G686-C716 CarbonylContact C-O 3.54Å; G686-C716 WeakPolarHBondContact CA-O 3.4Å; G686-C716 PolarHBondContact N-O 3.31Å; G686-C716 PolarHBondContact O-N 2.86Å; V687-C716 VanDerWaalsContact CA-SG 3.53Å; V687-C716 PolarHBondContact N-SG 3.23Å; V687-C716 VanDerWaalsContact N-SG 3.36Å; V687-C716 PolarHBondContact O-SG 2.99Å; Q688-C716 HydrophobicContact CG-CB 4.17Å; C716-N718 WeakPolarHBondContact CA-OD1 3.24Å; C716-N718 PolarHBondContact N-OD1 2.82Å; C716-N718 PolarHBondContact O-N 3.48Å; C716-N718 PolarHBondContact O-OD1 3.33Å
717	G	77.2	Confident	65.7	Low	20 Å²	20	68.2 Å²	68.2	21%	0.206	35%	0.35	C	S	.	.			trans	63.7	31.7	177.7	0	0	0	0	0	113.2	C683 G684 G685 E719	C683-G717 CarbonylContact C-O 3.57Å; C683-G717 VanDerWaalsContact CA-O 3.23Å; C683-G717 WeakPolarHBondContact CA-O 3.06Å; G684-G717 PolarHBondContact N-O 3.45Å; G685-G717 PolarHBondContact N-O 3.31Å; G717-E719 PolarHBondContact O-N 3.31Å
718	N	70.9	Confident	66.4	Low	44 Å²	44	64.4 Å²	64.4	24%	0.235	33%	0.331	C	S	.	.			trans	-68.9	-22.4	-174.1	-53.7	9.6	0	0	0	112.7	N306 C716 I800	N306-N718 PolarHBondContact ND2-ND2 3.24Å; C716-N718 WeakPolarHBondContact CA-OD1 3.24Å; C716-N718 PolarHBondContact N-OD1 2.82Å; C716-N718 PolarHBondContact O-N 3.48Å; C716-N718 PolarHBondContact O-OD1 3.33Å; N718-I800 VanDerWaalsContact ND2-CG1 3.25Å; N718-I800 WeakPolarHBondContact ND2-CG1 3.19Å
719	E	70.6	Confident	67.1	Low	147 Å²	147	65.5 Å²	65.5	69%	0.687	33%	0.328	S	S	*	.	S	Bend	trans	-49.9	128.8	174.9	-69.6	-69.1	166.7	0	0	111.5	C683 G684 G717	C683-E719 CarbonylContact C-O 3.51Å; C683-E719 VanDerWaalsContact CA-O 3.23Å; C683-E719 WeakPolarHBondContact CA-O 3.39Å; C683-E719 VanDerWaalsContact CB-O 3.28Å; C683-E719 WeakPolarHBondContact CB-O 3.03Å; G684-E719 PolarHBondContact N-O 2.87Å; G717-E719 PolarHBondContact O-N 3.31Å
720	P	65.8	Low	68.2	Low	111 Å²	111	68.1 Å²	68.1	72%	0.721	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-65	137.1	179.7	26.8	-33.9	0	0	0	111.6
721	C	64.4	Low	69	Low	36 Å²	36	67.7 Å²	67.7	24%	0.243	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-68.2	133.1	180	-63	0	0	0	0	112.4	C683 K723	C683-C721 HydrophobicContact CB-CB 3.95Å; C683-C721 WeakPolarHBondContact CB-SG 3.27Å; C683-C721 PolarHBondContact O-SG 3.32Å; C683-C721 WeakPolarHBondContact SG-CA 3.36Å; C683-C721 WeakPolarHBondContact SG-CB 3.26Å; C683-C721 CovalentContact SG-SG 2.04Å; C683-C721 PolarHBondContact SG-SG 3.32Å; C721-K723 WeakPolarHBondContact CB-O 3.49Å; C721-K723 PolarHBondContact O-N 3.23Å
722	E	67.1	Low	69.7	Low	198 Å²	198	66.8 Å²	66.8	93%	0.925	34%	0.339	S	S	*	.	S	Bend	trans	-51.5	-29.1	175.5	-61.8	-178.3	163.6	0	0	113.9
723	K	58.4	Low	70	Confident	160 Å²	160	68.5 Å²	68.5	70%	0.696	35%	0.352	S	S	*	.	S	Bend	trans	-130.7	137.3	175.3	-64	177	-176.1	172.8	0	108.7	C721 L725	C721-K723 WeakPolarHBondContact CB-O 3.49Å; C721-K723 PolarHBondContact O-N 3.23Å; K723-L725 VanDerWaalsContact C-N 3.3Å; K723-L725 PolarHBondContact O-N 3.16Å
724	Q	57.3	Low	70.2	Confident	186 Å²	186	72.4 Å²	72.4	87%	0.869	37%	0.369	S	S	*	.			trans	-69.5	86.9	173.4	-72.5	-173.8	-20.1	0	0	110.1	N726	Q724-N726 PolarHBondContact O-N 3.4Å
725	L	56	Low	70.1	Confident	122 Å²	122	71.5 Å²	71.5	64%	0.639	37%	0.366	S	S	*	.			trans	-73	112.1	-178.7	-145	83.4	0	0	0	110	K723 I727	K723-L725 VanDerWaalsContact C-N 3.3Å; K723-L725 PolarHBondContact O-N 3.16Å; L725-I727 VanDerWaalsContact C-N 3.33Å; L725-I727 PolarHBondContact O-N 3Å
726	N	67.6	Low	69.8	Low	65 Å²	65	73.1 Å²	73.1	35%	0.348	37%	0.374	S	S	.	.			trans	-79.9	83.2	177.1	-172.9	-14.1	0	0	0	110.6	Q724 R728 Q729 T730 Y746	Q724-N726 PolarHBondContact O-N 3.4Å; N726-R728 PolarHBondContact O-N 3.11Å; N726-R728 PolarHBondContact OD1-N 2.05Å; N726-Q729 HydrophobicContact CB-CB 3.94Å; N726-Q729 VanDerWaalsContact CG-CB 3.46Å; N726-Q729 PolarHBondContact O-N 2.68Å; N726-Q729 PolarHBondContact OD1-N 3.47Å; N726-Q729 VanDerWaalsContact OD1-N 3.09Å; N726-T730 PolarHBondContact O-N 2.81Å; N726-T730 PolarHBondContact O-OG1 2.8Å; N726-Y746 VanDerWaalsContact ND2-CE1 3.29Å; N726-Y746 WeakPolarHBondContact ND2-CE1 3.04Å; N726-Y746 PolarHBondContact ND2-OH 3.44Å; N726-Y746 VanDerWaalsContact ND2-OH 3.16Å
727	I	71.4	Confident	69.1	Low	28 Å²	28	74.6 Å²	74.6	14%	0.144	39%	0.392	C	S	.	.	H	α-helix	trans	-52.9	-41.1	-177.6	-59.6	169.1	0	0	0	111.7	L725 T730 L731 P774 T777	L725-I727 VanDerWaalsContact C-N 3.33Å; L725-I727 PolarHBondContact O-N 3Å; I727-T730 PolarHBondContact O-N 3.16Å; I727-L731 HydrophobicContact CG2-CD1 3.89Å; I727-L731 HydrophobicContact CG2-CG 4.42Å; I727-L731 WeakPolarHBondContact O-CB 3.48Å; I727-L731 VanDerWaalsContact O-CG 3.26Å; I727-L731 WeakPolarHBondContact O-CG 3.42Å; I727-L731 PolarHBondContact O-N 3.29Å; I727-P774 HydrophobicContact CG2-CG 4.38Å; I727-T777 HydrophobicContact CB-CG2 4.22Å; I727-T777 HydrophobicContact CD1-CG2 4.27Å; I727-T777 HydrophobicContact CG2-CG2 4.22Å
728	R	72.9	Confident	68.5	Low	25 Å²	25	77 Å²	77	9%	0.094	40%	0.398	C	S	.	.	H	α-helix	trans	-63.8	-44.2	178	-70.9	-173.4	176.7	78.7	4.8	111.8	N726 L731 C732 Y746 S755 L773 P778 C779	N726-R728 PolarHBondContact O-N 3.11Å; N726-R728 PolarHBondContact OD1-N 2.05Å; R728-L731 PolarHBondContact O-N 3.36Å; R728-C732 PolarHBondContact O-N 3.26Å; R728-C732 PolarHBondContact O-SG 2.9Å; R728-Y746 HydrophobicContact CB-CD1 4.26Å; R728-Y746 HydrophobicContact CB-CD2 3.64Å; R728-Y746 HydrophobicContact CB-CE2 3.95Å; R728-Y746 HydrophobicContact CB-CG 3.83Å; R728-Y746 HydrophobicContact CG-CD2 4.22Å; R728-Y746 HydrophobicContact CG-CE2 4.47Å; R728-S755 PolarHBondContact NH2-O 3.33Å; R728-L773 HydrophobicContact CG-CD1 4.04Å; R728-L773 HydrophobicContact CG-CD2 4.08Å; R728-L773 VanDerWaalsContact CZ-CD1 3.45Å; R728-L773 VanDerWaalsContact NE-CD1 3.31Å; R728-P778 VanDerWaalsContact CZ-O 3.25Å; R728-P778 PolarHBondContact NH1-O 3.23Å; R728-P778 PolarHBondContact NH2-O 3.3Å; R728-C779 PolarHBondContact NH2-O 3.2Å
729	Q	69.5	Low	68	Low	55 Å²	55	79.5 Å²	79.5	26%	0.257	40%	0.404	S	S	.	.	H	α-helix	trans	-63.8	-50.6	175.9	-171.3	64.4	51.1	0	0	110.8	N726 L731 C732 D733 Y746	N726-Q729 HydrophobicContact CB-CB 3.94Å; N726-Q729 VanDerWaalsContact CG-CB 3.46Å; N726-Q729 PolarHBondContact O-N 2.68Å; N726-Q729 PolarHBondContact OD1-N 3.47Å; N726-Q729 VanDerWaalsContact OD1-N 3.09Å; Q729-L731 PolarHBondContact O-N 2.92Å; Q729-C732 CarbonylContact O-C 3.17Å; Q729-C732 WeakPolarHBondContact O-CA 3.38Å; Q729-C732 PolarHBondContact O-N 3.22Å; Q729-D733 PolarHBondContact NE2-OD1 3.38Å; Q729-D733 PolarHBondContact O-N 2.9Å; Q729-Y746 HydrophobicContact CB-CD1 4.31Å; Q729-Y746 HydrophobicContact CB-CE1 4.25Å
730	T	75.4	Confident	67.5	Low	76 Å²	76	80.8 Å²	80.8	47%	0.466	41%	0.408	S	S	.	.	H	α-helix	trans	-59.8	-32.2	-179.9	-53.5	0	0	0	0	113	N726 I727 K734	N726-T730 PolarHBondContact O-N 2.81Å; N726-T730 PolarHBondContact O-OG1 2.8Å; I727-T730 PolarHBondContact O-N 3.16Å; T730-K734 VanDerWaalsContact O-CB 3.32Å; T730-K734 WeakPolarHBondContact O-CB 3.44Å; T730-K734 PolarHBondContact O-N 3.05Å
731	L	76.1	Confident	67.1	Low	34 Å²	34	77.2 Å²	77.2	18%	0.178	39%	0.392	C	S	.	.	H	α-helix	trans	-71.2	-44.9	171.7	-71.9	168.5	0	0	0	112	I727 R728 Q729 D733 K734 I735 L758 L773 P774	I727-L731 HydrophobicContact CG2-CD1 3.89Å; I727-L731 HydrophobicContact CG2-CG 4.42Å; I727-L731 WeakPolarHBondContact O-CB 3.48Å; I727-L731 VanDerWaalsContact O-CG 3.26Å; I727-L731 WeakPolarHBondContact O-CG 3.42Å; I727-L731 PolarHBondContact O-N 3.29Å; R728-L731 PolarHBondContact O-N 3.36Å; Q729-L731 PolarHBondContact O-N 2.92Å; L731-D733 PolarHBondContact O-N 2.82Å; L731-K734 PolarHBondContact O-N 2.73Å; L731-I735 WeakPolarHBondContact O-CG1 3.41Å; L731-I735 PolarHBondContact O-N 3.38Å; L731-L758 HydrophobicContact CB-CD1 3.81Å; L731-L758 HydrophobicContact CB-CD2 3.76Å; L731-L758 HydrophobicContact CB-CG 4.47Å; L731-L758 HydrophobicContact CD1-CD1 4.27Å; L731-L758 HydrophobicContact CD1-CD2 4.46Å; L731-L773 HydrophobicContact CD1-CD2 3.83Å; L731-P774 HydrophobicContact CD1-CG 4.23Å
732	C	72.9	Confident	66.9	Low	4 Å²	4	79.7 Å²	79.7	3%	0.027	40%	0.4	C	S	.	.	H	α-helix	trans	-64.8	-35.2	175	-68.1	0	0	0	0	112.9	R728 Q729 K734 I735 D736 C760	R728-C732 PolarHBondContact O-N 3.26Å; R728-C732 PolarHBondContact O-SG 2.9Å; Q729-C732 CarbonylContact O-C 3.17Å; Q729-C732 WeakPolarHBondContact O-CA 3.38Å; Q729-C732 PolarHBondContact O-N 3.22Å; C732-K734 VanDerWaalsContact C-N 3.35Å; C732-I735 CarbonylContact O-C 3.49Å; C732-I735 PolarHBondContact O-N 3Å; C732-D736 WeakPolarHBondContact O-CB 3.17Å; C732-D736 PolarHBondContact O-N 3.43Å; C732-C760 WeakPolarHBondContact CA-SG 3.23Å; C732-C760 HydrophobicContact CB-CB 3.92Å; C732-C760 WeakPolarHBondContact CB-SG 3.45Å; C732-C760 WeakPolarHBondContact SG-CB 3.39Å; C732-C760 CovalentContact SG-SG 2.04Å; C732-C760 PolarHBondContact SG-SG 3.22Å
733	D	73.3	Confident	66.5	Low	83 Å²	83	70.8 Å²	70.8	44%	0.444	36%	0.358	S	S	.	.	H	α-helix	trans	-64.8	-39.8	174.9	-57.9	-31.2	0	0	0	111.2	Q729 L731 D736 G737	Q729-D733 PolarHBondContact NE2-OD1 3.38Å; Q729-D733 PolarHBondContact O-N 2.9Å; L731-D733 PolarHBondContact O-N 2.82Å; D733-D736 WeakPolarHBondContact O-CB 3.25Å; D733-D736 PolarHBondContact O-N 2.93Å; D733-G737 PolarHBondContact O-N 3.41Å; D733-G737 VanDerWaalsContact O-N 3.08Å
734	K	73.2	Confident	66.3	Low	83 Å²	83	72.5 Å²	72.5	36%	0.361	36%	0.36	S	S	.	.	H	α-helix	trans	-67.2	-38.8	178	-166.6	-179.1	-163	173.5	0	111.8	L496 L498 T730 L731 C732 G737	L496-K734 PolarHBondContact O-NZ 2.85Å; L498-K734 HydrophobicContact CB-CD 4.4Å; L498-K734 WeakPolarHBondContact O-CE 3.38Å; T730-K734 VanDerWaalsContact O-CB 3.32Å; T730-K734 WeakPolarHBondContact O-CB 3.44Å; T730-K734 PolarHBondContact O-N 3.05Å; L731-K734 PolarHBondContact O-N 2.73Å; C732-K734 VanDerWaalsContact C-N 3.35Å; K734-G737 PolarHBondContact O-N 3.36Å
735	I	72.2	Confident	66	Low	14 Å²	14	65.8 Å²	65.8	7%	0.072	34%	0.336	C	S	.	.	H	α-helix	trans	-76.4	-29	173	-60.9	-179.9	0	0	0	110.9	L731 C732 G737 Q738 Y739 L743 L758 H769	L731-I735 WeakPolarHBondContact O-CG1 3.41Å; L731-I735 PolarHBondContact O-N 3.38Å; C732-I735 CarbonylContact O-C 3.49Å; C732-I735 PolarHBondContact O-N 3Å; I735-G737 PolarHBondContact O-N 3.28Å; I735-Q738 WeakPolarHBondContact O-CA 3.37Å; I735-Q738 WeakPolarHBondContact O-CB 3.43Å; I735-Q738 PolarHBondContact O-N 2.81Å; I735-Y739 HydrophobicContact CG2-CD2 3.75Å; I735-Y739 HydrophobicContact CG2-CE2 3.59Å; I735-Y739 VanDerWaalsContact O-CD2 3.31Å; I735-Y739 WeakPolarHBondContact O-CD2 3.48Å; I735-Y739 PolarHBondContact O-N 2.78Å; I735-L743 HydrophobicContact CB-CD1 4.14Å; I735-L743 HydrophobicContact CG2-CD1 3.62Å; I735-L758 HydrophobicContact CD1-CD2 3.43Å; I735-L758 VanDerWaalsContact CD1-CD2 3.43Å; I735-H769 HydrophobicContact CD1-CB 4.02Å
736	D	69.8	Low	66.2	Low	33 Å²	33	62.5 Å²	62.5	18%	0.176	32%	0.316	C	S	.	.	H	α-helix	trans	-63	-32.1	171.8	-167.6	32.5	0	0	0	111.8	C732 D733 Q738 Y739 K740 G741 Q742 L743	C732-D736 WeakPolarHBondContact O-CB 3.17Å; C732-D736 PolarHBondContact O-N 3.43Å; D733-D736 WeakPolarHBondContact O-CB 3.25Å; D733-D736 PolarHBondContact O-N 2.93Å; D736-Q738 VanDerWaalsContact C-N 3.26Å; D736-Q738 PolarHBondContact O-N 3.02Å; D736-Y739 CarbonylContact O-C 3.59Å; D736-Y739 PolarHBondContact O-N 3.18Å; D736-K740 PolarHBondContact O-N 3.13Å; D736-G741 PolarHBondContact O-N 3.27Å; D736-G741 WeakPolarHBondContact OD1-CA 3.47Å; D736-G741 PolarHBondContact OD1-N 2.72Å; D736-G741 VanDerWaalsContact OD2-CA 3.31Å; D736-G741 WeakPolarHBondContact OD2-CA 3.49Å; D736-Q742 PolarHBondContact OD1-N 2.95Å; D736-L743 HydrophobicContact CB-CB 3.94Å; D736-L743 PolarHBondContact OD1-N 3.06Å
737	G	68.8	Low	65.4	Low	43 Å²	43	66 Å²	66	44%	0.443	33%	0.329	S	S	.	.	H	α-helix	trans	-53.7	-39.4	164.4	0	0	0	0	0	113.5	Y501 D733 K734 I735 Y739	Y501-G737 WeakPolarHBondContact CE2-O 3.36Å; Y501-G737 PolarHBondContact OH-O 3.21Å; D733-G737 PolarHBondContact O-N 3.41Å; D733-G737 VanDerWaalsContact O-N 3.08Å; K734-G737 PolarHBondContact O-N 3.36Å; I735-G737 PolarHBondContact O-N 3.28Å; G737-Y739 VanDerWaalsContact C-N 3.35Å
738	Q	65.5	Low	64.2	Low	70 Å²	70	65.8 Å²	65.8	33%	0.327	33%	0.329	S	S	.	.	H	α-helix	trans	-71.2	-24.6	174.9	-168.5	179.8	6.3	0	0	113.3	T500 Y501 I735 D736	T500-Q738 HydrophobicContact CG2-CB 4.32Å; T500-Q738 HydrophobicContact CG2-CG 3.94Å; T500-Q738 VanDerWaalsContact OG1-CB 3.3Å; T500-Q738 WeakPolarHBondContact OG1-CB 3.38Å; T500-Q738 WeakPolarHBondContact OG1-CG 3.22Å; Y501-Q738 VanDerWaalsContact CE1-O 3.29Å; Y501-Q738 WeakPolarHBondContact CE1-O 3.16Å; Y501-Q738 VanDerWaalsContact CZ-O 3.24Å; Y501-Q738 PolarHBondContact OH-O 3.07Å; I735-Q738 WeakPolarHBondContact O-CA 3.37Å; I735-Q738 WeakPolarHBondContact O-CB 3.43Å; I735-Q738 PolarHBondContact O-N 2.81Å; D736-Q738 VanDerWaalsContact C-N 3.26Å; D736-Q738 PolarHBondContact O-N 3.02Å
739	Y	59.8	Low	62.8	Low	96 Å²	96	70.4 Å²	70.4	38%	0.376	35%	0.35	S	S	.	.	H	α-helix	trans	-112	14.5	-176.7	-67	-79.6	0	0	0	114.6	I735 D736 G737 G741 Q742 L743 H769	I735-Y739 HydrophobicContact CG2-CD2 3.75Å; I735-Y739 HydrophobicContact CG2-CE2 3.59Å; I735-Y739 VanDerWaalsContact O-CD2 3.31Å; I735-Y739 WeakPolarHBondContact O-CD2 3.48Å; I735-Y739 PolarHBondContact O-N 2.78Å; D736-Y739 CarbonylContact O-C 3.59Å; D736-Y739 PolarHBondContact O-N 3.18Å; G737-Y739 VanDerWaalsContact C-N 3.35Å; Y739-G741 PolarHBondContact O-N 3.44Å; Y739-Q742 VanDerWaalsContact O-CG 3.3Å; Y739-Q742 WeakPolarHBondContact O-CG 3.48Å; Y739-L743 HydrophobicContact CD2-CD1 3.8Å; Y739-L743 HydrophobicContact CD2-CG 4.45Å; Y739-L743 HydrophobicContact CE2-CD1 4.46Å; Y739-H769 AromaticContact CE2-CE1 3.82Å
740	K	59.9	Low	61.5	Low	174 Å²	174	69.6 Å²	69.6	76%	0.757	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	44.1	175.1	-51.2	-171.7	179.9	-179.7	0	114.7	Y501 D736	Y501-K740 WeakPolarHBondContact OH-CG 3.24Å; D736-K740 PolarHBondContact O-N 3.13Å
741	G	58.2	Low	60	Low	37 Å²	37	68.7 Å²	68.7	38%	0.381	35%	0.353	S	S	.	.	S	Bend	trans	87.6	22.5	170.6	0	0	0	0	0	115.8	D736 Y739	D736-G741 PolarHBondContact O-N 3.27Å; D736-G741 WeakPolarHBondContact OD1-CA 3.47Å; D736-G741 PolarHBondContact OD1-N 2.72Å; D736-G741 VanDerWaalsContact OD2-CA 3.31Å; D736-G741 WeakPolarHBondContact OD2-CA 3.49Å; Y739-G741 PolarHBondContact O-N 3.44Å
742	Q	60.5	Low	58.8	Low	88 Å²	88	70.7 Å²	70.7	41%	0.411	36%	0.361	S	S	.	.			trans	-106.1	-10.2	-173.4	-60.2	-177	14.2	0	0	114.4	D736 Y739 Y762	D736-Q742 PolarHBondContact OD1-N 2.95Å; Y739-Q742 VanDerWaalsContact O-CG 3.3Å; Y739-Q742 WeakPolarHBondContact O-CG 3.48Å; Q742-Y762 HydrophobicContact CB-CD2 4.02Å; Q742-Y762 HydrophobicContact CB-CE2 3.54Å; Q742-Y762 HydrophobicContact CG-CE2 4.43Å; Q742-Y762 PolarHBondContact OE1-OH 3Å
743	L	57.1	Low	57.6	Low	10 Å²	10	76.2 Å²	76.2	5%	0.052	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.5	173.9	-69.7	173.8	0	0	0	110.7	I735 D736 Y739 C760 L761 Y762	I735-L743 HydrophobicContact CB-CD1 4.14Å; I735-L743 HydrophobicContact CG2-CD1 3.62Å; D736-L743 HydrophobicContact CB-CB 3.94Å; D736-L743 PolarHBondContact OD1-N 3.06Å; Y739-L743 HydrophobicContact CD2-CD1 3.8Å; Y739-L743 HydrophobicContact CD2-CG 4.45Å; Y739-L743 HydrophobicContact CE2-CD1 4.46Å; L743-C760 HydrophobicContact CD1-CB 4.26Å; L743-C760 HydrophobicContact CD2-CB 4.09Å; L743-L761 CarbonylContact C-O 3.51Å; L743-L761 VanDerWaalsContact CA-O 3.3Å; L743-L761 WeakPolarHBondContact CA-O 3.49Å; L743-Y762 HydrophobicContact CD2-CD2 4.07Å; L743-Y762 HydrophobicContact CD2-CG 4.39Å
744	R	54	Low	56.8	Low	196 Å²	196	74.6 Å²	74.6	74%	0.74	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	105.5	-177.1	-69.5	-171.6	177.3	-170.7	-2.3	113.2	L761	R744-L761 PolarHBondContact N-O 3.19Å; R744-L761 WeakPolarHBondContact O-CB 3.05Å
745	A	52.4	Low	56.5	Low	45 Å²	45	70.8 Å²	70.8	37%	0.372	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	72.4	164.8	-176.3	0	0	0	0	0	115.3	L761	A745-L761 HydrophobicContact CB-CD1 4.39Å; A745-L761 WeakPolarHBondContact O-CB 3.33Å; A745-L761 PolarHBondContact O-N 3.13Å
746	Y	59.2	Low	56.6	Low	53 Å²	53	70.1 Å²	70.1	21%	0.208	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	154.1	179.4	68.2	-78.1	0	0	0	109.1	N726 R728 Q729 V759	N726-Y746 VanDerWaalsContact ND2-CE1 3.29Å; N726-Y746 WeakPolarHBondContact ND2-CE1 3.04Å; N726-Y746 PolarHBondContact ND2-OH 3.44Å; N726-Y746 VanDerWaalsContact ND2-OH 3.16Å; R728-Y746 HydrophobicContact CB-CD1 4.26Å; R728-Y746 HydrophobicContact CB-CD2 3.64Å; R728-Y746 HydrophobicContact CB-CE2 3.95Å; R728-Y746 HydrophobicContact CB-CG 3.83Å; R728-Y746 HydrophobicContact CG-CD2 4.22Å; R728-Y746 HydrophobicContact CG-CE2 4.47Å; Q729-Y746 HydrophobicContact CB-CD1 4.31Å; Q729-Y746 HydrophobicContact CB-CE1 4.25Å; Y746-V759 WeakPolarHBondContact CB-O 3.29Å
747	F	51.1	Low	56.7	Low	140 Å²	140	71 Å²	71	61%	0.614	38%	0.375	S	S	*	.			trans	-123	122	165.7	-74.8	-48.5	0	0	0	109.6	K749 L761	F747-K749 PolarHBondContact O-N 2.85Å; F747-L761 HydrophobicContact CD2-CD1 3.81Å; F747-L761 HydrophobicContact CD2-CD2 3.76Å; F747-L761 HydrophobicContact CD2-CG 4.07Å; F747-L761 HydrophobicContact CE2-CD1 3.53Å; F747-L761 HydrophobicContact CE2-CD2 3.88Å; F747-L761 HydrophobicContact CE2-CG 4.19Å; F747-L761 HydrophobicContact CZ-CD1 4.01Å
748	P	46.2	Very low	56.9	Low	23 Å²	23	69.2 Å²	69.2	15%	0.149	36%	0.355	C	S	.	.			trans	-71.4	125.8	162.7	31	-29.7	0	0	0	108.2	L750	P748-L750 HydrophobicContact CB-CD2 3.72Å; P748-L750 HydrophobicContact CB-CG 3.98Å; P748-L750 HydrophobicContact CG-CD1 4.22Å; P748-L750 HydrophobicContact CG-CD2 3.86Å; P748-L750 HydrophobicContact CG-CG 3.9Å; P748-L750 PolarHBondContact O-N 3.48Å
749	K	43.4	Very low	57	Low	122 Å²	122	67.4 Å²	67.4	53%	0.53	35%	0.349	S	S	.	.			trans	-82.6	70	172.8	-157.8	168.5	179	-143.5	0	109.2	F747 G751 E752 S755	F747-K749 PolarHBondContact O-N 2.85Å; K749-G751 PolarHBondContact O-N 3.03Å; K749-E752 VanDerWaalsContact CD-OE2 3.27Å; K749-E752 WeakPolarHBondContact CD-OE2 3.39Å; K749-E752 VanDerWaalsContact CE-CD 3.47Å; K749-E752 WeakPolarHBondContact CE-OE1 3.39Å; K749-E752 WeakPolarHBondContact CE-OE2 3.39Å; K749-E752 IonicContact NZ-OE1 2.62Å; K749-E752 PolarHBondContact NZ-OE1 2.92Å; K749-E752 IonicContact NZ-OE2 3.64Å; K749-E752 PolarHBondContact NZ-OE2 2.93Å; K749-E752 PolarHBondContact O-N 2.99Å; K749-S755 PolarHBondContact O-OG 3.34Å
750	L	43.4	Very low	57.6	Low	38 Å²	38	62.8 Å²	62.8	20%	0.199	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	118.3	-169	-61.3	164.8	0	0	0	110.4	P748 Y780 H893	P748-L750 HydrophobicContact CB-CD2 3.72Å; P748-L750 HydrophobicContact CB-CG 3.98Å; P748-L750 HydrophobicContact CG-CD1 4.22Å; P748-L750 HydrophobicContact CG-CD2 3.86Å; P748-L750 HydrophobicContact CG-CG 3.9Å; P748-L750 PolarHBondContact O-N 3.48Å; L750-Y780 HydrophobicContact CB-CD1 4.36Å; L750-Y780 HydrophobicContact CD2-CD1 3.67Å; L750-Y780 HydrophobicContact CD2-CG 4.29Å; L750-H893 VanDerWaalsContact CD1-ND1 3.31Å; L750-H893 WeakPolarHBondContact CD1-ND1 3.32Å
751	G	43.2	Very low	57.8	Low	57 Å²	57	55.5 Å²	55.5	59%	0.588	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	111	-16.3	177.5	0	0	0	0	0	114.4	K749	K749-G751 PolarHBondContact O-N 3.03Å
752	E	50.7	Low	58	Low	76 Å²	76	55.8 Å²	55.8	36%	0.355	29%	0.29	S	S	.	.	S	Bend	trans	-94.1	157	178.4	-77.4	-172.7	-170.3	0	0	113.6	K749 T754 S755	K749-E752 VanDerWaalsContact CD-OE2 3.27Å; K749-E752 WeakPolarHBondContact CD-OE2 3.39Å; K749-E752 VanDerWaalsContact CE-CD 3.47Å; K749-E752 WeakPolarHBondContact CE-OE1 3.39Å; K749-E752 WeakPolarHBondContact CE-OE2 3.39Å; K749-E752 IonicContact NZ-OE1 2.62Å; K749-E752 PolarHBondContact NZ-OE1 2.92Å; K749-E752 IonicContact NZ-OE2 3.64Å; K749-E752 PolarHBondContact NZ-OE2 2.93Å; K749-E752 PolarHBondContact O-N 2.99Å; E752-T754 WeakPolarHBondContact CB-OG1 3.48Å; E752-T754 PolarHBondContact O-N 2.85Å; E752-T754 PolarHBondContact OE2-OG1 3.3Å; E752-T754 VanDerWaalsContact OE2-OG1 3.07Å; E752-S755 WeakPolarHBondContact O-CB 3.31Å; E752-S755 PolarHBondContact O-N 3.13Å; E752-S755 PolarHBondContact O-OG 3.42Å
753	P	48.5	Very low	57.9	Low	119 Å²	119	56.5 Å²	56.5	77%	0.773	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-54.8	-19.7	168.5	-24.9	34.6	0	0	0	113.9	S755	P753-S755 PolarHBondContact O-N 3.15Å
754	T	56.7	Low	57.9	Low	49 Å²	49	61.2 Å²	61.2	30%	0.301	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-75.1	-4.6	177.1	56.8	0	0	0	0	114.1	E752 C756 N757	E752-T754 WeakPolarHBondContact CB-OG1 3.48Å; E752-T754 PolarHBondContact O-N 2.85Å; E752-T754 PolarHBondContact OE2-OG1 3.3Å; E752-T754 VanDerWaalsContact OE2-OG1 3.07Å; T754-C756 PolarHBondContact O-N 3.4Å; T754-N757 PolarHBondContact O-N 3.06Å
755	S	65.1	Low	57.7	Low	3 Å²	3	57.9 Å²	57.9	2%	0.021	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-55.7	-20.5	-179.8	-61	0	0	0	0	114.6	R728 K749 E752 P753	R728-S755 PolarHBondContact NH2-O 3.33Å; K749-S755 PolarHBondContact O-OG 3.34Å; E752-S755 WeakPolarHBondContact O-CB 3.31Å; E752-S755 PolarHBondContact O-N 3.13Å; E752-S755 PolarHBondContact O-OG 3.42Å; P753-S755 PolarHBondContact O-N 3.15Å
756	C	74.9	Confident	58.1	Low	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-104	11.1	178.2	-70.4	0	0	0	0	115.1	T754 S772 L773 C779 C787 G790	T754-C756 PolarHBondContact O-N 3.4Å; C756-S772 CarbonylContact O-C 3.5Å; C756-S772 WeakPolarHBondContact O-CA 3.38Å; C756-L773 PolarHBondContact O-N 2.99Å; C756-C779 VanDerWaalsContact SG-SG 3.63Å; C756-C787 WeakPolarHBondContact CA-SG 3.44Å; C756-C787 HydrophobicContact CB-CB 3.75Å; C756-C787 WeakPolarHBondContact CB-SG 3.19Å; C756-C787 WeakPolarHBondContact SG-CA 3.35Å; C756-C787 WeakPolarHBondContact SG-CB 2.95Å; C756-C787 CovalentContact SG-SG 2.04Å; C756-C787 PolarHBondContact SG-SG 3.32Å; C756-G790 VanDerWaalsContact CB-O 3.31Å; C756-G790 WeakPolarHBondContact CB-O 3.34Å
757	N	71.3	Confident	58.1	Low	51 Å²	51	59.8 Å²	59.8	27%	0.273	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	148.7	168.9	-65	-23.5	0	0	0	110.5	T754 V759	T754-N757 PolarHBondContact O-N 3.06Å; N757-V759 PolarHBondContact O-N 2.97Å
758	L	73	Confident	58.8	Low	7 Å²	7	56.5 Å²	56.5	4%	0.037	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	113.9	175.8	-176.5	63.8	0	0	0	111.2	L731 I735 H769 F771 L773	L731-L758 HydrophobicContact CB-CD1 3.81Å; L731-L758 HydrophobicContact CB-CD2 3.76Å; L731-L758 HydrophobicContact CB-CG 4.47Å; L731-L758 HydrophobicContact CD1-CD1 4.27Å; L731-L758 HydrophobicContact CD1-CD2 4.46Å; I735-L758 HydrophobicContact CD1-CD2 3.43Å; I735-L758 VanDerWaalsContact CD1-CD2 3.43Å; L758-H769 PolarHBondContact O-N 3.05Å; L758-F771 PolarHBondContact N-O 3.21Å; L758-L773 HydrophobicContact CB-CD2 3.96Å; L758-L773 HydrophobicContact CD1-CD2 3.74Å; L758-L773 HydrophobicContact CG-CD2 4.43Å
759	V	68.9	Low	59.5	Low	31 Å²	31	56.5 Å²	56.5	19%	0.188	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	114.8	176.6	-177	0	0	0	0	110.1	Y746 N757 V767	Y746-V759 WeakPolarHBondContact CB-O 3.29Å; N757-V759 PolarHBondContact O-N 2.97Å; V759-V767 WeakPolarHBondContact CA-O 3.01Å
760	C	72.2	Confident	60.1	Low	0 Å²	0	53.9 Å²	53.9	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	154	177.5	-54.1	0	0	0	0	110.1	C732 L743 V767	C732-C760 WeakPolarHBondContact CA-SG 3.23Å; C732-C760 HydrophobicContact CB-CB 3.92Å; C732-C760 WeakPolarHBondContact CB-SG 3.45Å; C732-C760 WeakPolarHBondContact SG-CB 3.39Å; C732-C760 CovalentContact SG-SG 2.04Å; C732-C760 PolarHBondContact SG-SG 3.22Å; L743-C760 HydrophobicContact CD1-CB 4.26Å; L743-C760 HydrophobicContact CD2-CB 4.09Å; C760-V767 PolarHBondContact N-O 3.15Å; C760-V767 PolarHBondContact O-N 3.32Å
761	L	63.8	Low	61	Low	20 Å²	20	57.5 Å²	57.5	11%	0.105	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	117.6	-179.3	-71.6	172.1	0	0	0	112.5	L743 R744 A745 F747 H765	L743-L761 CarbonylContact C-O 3.51Å; L743-L761 VanDerWaalsContact CA-O 3.3Å; L743-L761 WeakPolarHBondContact CA-O 3.49Å; R744-L761 PolarHBondContact N-O 3.19Å; R744-L761 WeakPolarHBondContact O-CB 3.05Å; A745-L761 HydrophobicContact CB-CD1 4.39Å; A745-L761 WeakPolarHBondContact O-CB 3.33Å; A745-L761 PolarHBondContact O-N 3.13Å; F747-L761 HydrophobicContact CD2-CD1 3.81Å; F747-L761 HydrophobicContact CD2-CD2 3.76Å; F747-L761 HydrophobicContact CD2-CG 4.07Å; F747-L761 HydrophobicContact CE2-CD1 3.53Å; F747-L761 HydrophobicContact CE2-CD2 3.88Å; F747-L761 HydrophobicContact CE2-CG 4.19Å; F747-L761 HydrophobicContact CZ-CD1 4.01Å; L761-H765 CarbonylContact C-O 3.36Å; L761-H765 WeakPolarHBondContact CA-O 3.07Å
762	Y	62.9	Low	62.2	Low	43 Å²	43	57.7 Å²	57.7	17%	0.169	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.4	169.3	-173.7	-106	0	0	0	109.5	Q742 L743 S764 H765 V767 R1659	Q742-Y762 HydrophobicContact CB-CD2 4.02Å; Q742-Y762 HydrophobicContact CB-CE2 3.54Å; Q742-Y762 HydrophobicContact CG-CE2 4.43Å; Q742-Y762 PolarHBondContact OE1-OH 3Å; L743-Y762 HydrophobicContact CD2-CD2 4.07Å; L743-Y762 HydrophobicContact CD2-CG 4.39Å; Y762-S764 PolarHBondContact O-N 3.06Å; Y762-S764 VanDerWaalsContact O-N 3.12Å; Y762-H765 PolarHBondContact N-O 2.92Å; Y762-H765 WeakPolarHBondContact O-CB 3.41Å; Y762-H765 PolarHBondContact O-N 3.14Å; Y762-V767 VanDerWaalsContact CB-CG2 3.48Å; Y762-V767 HydrophobicContact CG-CG2 4.44Å; Y762-R1659 PolarHBondContact OH-NH2 2.03Å
763	N	58.4	Low	63.3	Low	103 Å²	103	54.1 Å²	54.1	55%	0.551	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	37.8	-179.1	-64.2	-46.8	0	0	0	114.2	H765	N763-H765 VanDerWaalsContact C-N 3.28Å; N763-H765 PolarHBondContact O-N 2.97Å
764	S	55.7	Low	64.7	Low	110 Å²	110	51.4 Å²	51.4	77%	0.769	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	3.7	-173.6	-37.7	0	0	0	0	116.6	Y762	Y762-S764 PolarHBondContact O-N 3.06Å; Y762-S764 VanDerWaalsContact O-N 3.12Å
765	H	51.6	Low	65.9	Low	126 Å²	126	50.6 Å²	50.6	58%	0.583	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	140.7	169.5	-61.9	-61.6	0	0	0	111.5	L761 Y762 N763 V767	L761-H765 CarbonylContact C-O 3.36Å; L761-H765 WeakPolarHBondContact CA-O 3.07Å; Y762-H765 PolarHBondContact N-O 2.92Å; Y762-H765 WeakPolarHBondContact O-CB 3.41Å; Y762-H765 PolarHBondContact O-N 3.14Å; N763-H765 VanDerWaalsContact C-N 3.28Å; N763-H765 PolarHBondContact O-N 2.97Å; H765-V767 PolarHBondContact O-N 2.92Å
766	S	59.2	Low	66.4	Low	92 Å²	92	50.5 Å²	50.5	64%	0.643	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	107.5	173.7	41.7	0	0	0	0	111.3
767	V	60.6	Low	66.5	Low	46 Å²	46	50.6 Å²	50.6	28%	0.279	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	112.4	171.2	-177.4	0	0	0	0	108.5	V759 C760 Y762 H765 H769	V759-V767 WeakPolarHBondContact CA-O 3.01Å; C760-V767 PolarHBondContact N-O 3.15Å; C760-V767 PolarHBondContact O-N 3.32Å; Y762-V767 VanDerWaalsContact CB-CG2 3.48Å; Y762-V767 HydrophobicContact CG-CG2 4.44Å; H765-V767 PolarHBondContact O-N 2.92Å; V767-H769 VanDerWaalsContact CG1-CE1 3.49Å; V767-H769 WeakPolarHBondContact CG1-CE1 3.35Å; V767-H769 PolarHBondContact O-CD2 2.89Å
768	S	64.1	Low	66.6	Low	70 Å²	70	50.2 Å²	50.2	49%	0.49	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.7	166.7	-179.8	0	0	0	0	108.4	G770	S768-G770 PolarHBondContact O-N 3.47Å
769	H	63	Low	66.6	Low	24 Å²	24	49.9 Å²	49.9	11%	0.111	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	12.1	-176.1	-71.2	-81.8	0	0	0	113.7	I735 Y739 L758 V767 F771	I735-H769 HydrophobicContact CD1-CB 4.02Å; Y739-H769 AromaticContact CE2-CE1 3.82Å; L758-H769 PolarHBondContact O-N 3.05Å; V767-H769 VanDerWaalsContact CG1-CE1 3.49Å; V767-H769 WeakPolarHBondContact CG1-CE1 3.35Å; V767-H769 PolarHBondContact O-CD2 2.89Å; H769-F771 HydrophobicContact CB-CD2 4.12Å; H769-F771 WeakPolarHBondContact O-CD2 3.39Å; H769-F771 WeakPolarHBondContact O-CE2 3.47Å; H769-F771 PolarHBondContact O-N 2.95Å
770	G	54	Low	66.5	Low	67 Å²	67	50 Å²	50	69%	0.691	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	73.5	-23.3	177.6	0	0	0	0	0	115.4	S768	S768-G770 PolarHBondContact O-N 3.47Å
771	F	63.2	Low	65.7	Low	113 Å²	113	52.5 Å²	52.5	50%	0.496	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	137.7	175.3	-51.4	-68.1	0	0	0	112.3	L758 H769	L758-F771 PolarHBondContact N-O 3.21Å; H769-F771 HydrophobicContact CB-CD2 4.12Å; H769-F771 WeakPolarHBondContact O-CD2 3.39Å; H769-F771 WeakPolarHBondContact O-CE2 3.47Å; H769-F771 PolarHBondContact O-N 2.95Å
772	S	68.7	Low	65.2	Low	61 Å²	61	53.2 Å²	53.2	43%	0.427	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	154.2	164.4	-61.8	0	0	0	0	111.6	C756 G790	C756-S772 CarbonylContact O-C 3.5Å; C756-S772 WeakPolarHBondContact O-CA 3.38Å; S772-G790 WeakPolarHBondContact OG-CA 3.19Å
773	L	73.8	Confident	65.3	Low	2 Å²	2	57 Å²	57	1%	0.01	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-69.4	144.6	172.3	-62.6	174.8	0	0	0	110.3	R728 L731 C756 L758 T777	R728-L773 HydrophobicContact CG-CD1 4.04Å; R728-L773 HydrophobicContact CG-CD2 4.08Å; R728-L773 VanDerWaalsContact CZ-CD1 3.45Å; R728-L773 VanDerWaalsContact NE-CD1 3.31Å; L731-L773 HydrophobicContact CD1-CD2 3.83Å; C756-L773 PolarHBondContact O-N 2.99Å; L758-L773 HydrophobicContact CB-CD2 3.96Å; L758-L773 HydrophobicContact CD1-CD2 3.74Å; L758-L773 HydrophobicContact CG-CD2 4.43Å; L773-T777 HydrophobicContact CB-CG2 4.11Å; L773-T777 HydrophobicContact CD1-CG2 4.04Å
774	P	77.8	Confident	65.6	Low	61 Å²	61	53.7 Å²	53.7	40%	0.396	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-55.9	142.9	-179.9	-26.3	34.3	0	0	0	113	I727 L731 G776 T777	I727-P774 HydrophobicContact CG2-CG 4.38Å; L731-P774 HydrophobicContact CD1-CG 4.23Å; P774-G776 PolarHBondContact O-N 3.05Å; P774-T777 WeakPolarHBondContact O-CB 3.34Å; P774-T777 PolarHBondContact O-N 3.49Å; P774-T777 PolarHBondContact O-OG1 3.09Å
775	D	80.6	Confident	66.4	Low	33 Å²	33	48.6 Å²	48.6	18%	0.176	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	135.7	-176.9	-67.8	-10.8	0	0	0	111.8	S680 V687 F689 C787 I788 Q789	S680-D775 WeakPolarHBondContact CB-O 3.29Å; S680-D775 VanDerWaalsContact OG-C 3.31Å; S680-D775 PolarHBondContact OG-O 3.34Å; V687-D775 HydrophobicContact CG2-CB 3.85Å; F689-D775 WeakPolarHBondContact CE2-OD2 3.46Å; F689-D775 VanDerWaalsContact CZ-OD2 3.26Å; F689-D775 WeakPolarHBondContact CZ-OD2 3.4Å; D775-C787 CarbonylContact C-O 3.48Å; D775-C787 VanDerWaalsContact CA-O 3.27Å; D775-C787 WeakPolarHBondContact CA-O 3.46Å; D775-I788 WeakPolarHBondContact OD1-CA 3.5Å; D775-Q789 PolarHBondContact OD1-N 2.04Å
776	G	76.2	Confident	67.5	Low	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-5.5	-167.6	0	0	0	0	0	114.8	R681 G685 P774 P778 C787	R681-G776 VanDerWaalsContact CD-C 3.49Å; R681-G776 WeakPolarHBondContact CD-O 3.47Å; R681-G776 PolarHBondContact NH1-O 3.19Å; G685-G776 WeakPolarHBondContact O-CA 3.24Å; P774-G776 PolarHBondContact O-N 3.05Å; G776-P778 WeakPolarHBondContact O-CD 3.42Å; G776-C787 PolarHBondContact N-O 3.49Å
777	T	77.6	Confident	68.5	Low	2 Å²	2	38.4 Å²	38.4	1%	0.012	23%	0.228	C	C	.	.			trans	-67.2	126.8	171.9	-58.6	0	0	0	0	109.9	I727 L773 P774 C779 C787	I727-T777 HydrophobicContact CB-CG2 4.22Å; I727-T777 HydrophobicContact CD1-CG2 4.27Å; I727-T777 HydrophobicContact CG2-CG2 4.22Å; L773-T777 HydrophobicContact CB-CG2 4.11Å; L773-T777 HydrophobicContact CD1-CG2 4.04Å; P774-T777 WeakPolarHBondContact O-CB 3.34Å; P774-T777 PolarHBondContact O-N 3.49Å; P774-T777 PolarHBondContact O-OG1 3.09Å; T777-C779 PolarHBondContact O-N 3.34Å; T777-C787 WeakPolarHBondContact O-CB 2.99Å; T777-C787 PolarHBondContact O-N 2.96Å; T777-C787 PolarHBondContact O-SG 3.03Å; T777-C787 VanDerWaalsContact O-SG 3.37Å
778	P	73.7	Confident	69.1	Low	44 Å²	44	36.2 Å²	36.2	29%	0.286	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-59.3	130.8	178.1	-26.1	36.1	0	0	0	112.2	R728 G776 Y780 D785	R728-P778 VanDerWaalsContact CZ-O 3.25Å; R728-P778 PolarHBondContact NH1-O 3.23Å; R728-P778 PolarHBondContact NH2-O 3.3Å; G776-P778 WeakPolarHBondContact O-CD 3.42Å; P778-Y780 VanDerWaalsContact C-N 3.32Å; P778-Y780 WeakPolarHBondContact CB-O 3.48Å; P778-Y780 PolarHBondContact O-N 2.99Å; P778-D785 CarbonylContact C-O 3.58Å; P778-D785 WeakPolarHBondContact CA-O 3.38Å
779	C	72	Confident	69.2	Low	0 Å²	0	38 Å²	38	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-64.8	-39.1	-179.4	-50.8	0	0	0	0	111.8	R728 C756 T777 D785 I786 C792	R728-C779 PolarHBondContact NH2-O 3.2Å; C756-C779 VanDerWaalsContact SG-SG 3.63Å; T777-C779 PolarHBondContact O-N 3.34Å; C779-D785 PolarHBondContact N-O 3.36Å; C779-D785 VanDerWaalsContact SG-C 3.52Å; C779-D785 PolarHBondContact SG-O 2.01Å; C779-I786 PolarHBondContact SG-O 2.9Å; C779-C792 HydrophobicContact CB-CB 3.99Å; C779-C792 WeakPolarHBondContact CB-SG 3.09Å; C779-C792 WeakPolarHBondContact SG-CA 3.26Å; C779-C792 WeakPolarHBondContact SG-CB 3.43Å; C779-C792 CovalentContact SG-SG 2.03Å; C779-C792 PolarHBondContact SG-SG 3.03Å
780	Y	67.1	Low	69.4	Low	34 Å²	34	37.3 Å²	37.3	13%	0.133	22%	0.216	C	C	.	.	S	Bend	trans	-110.6	170.4	178.8	-52	-92.4	0	0	0	109	L750 P778 L782 R783 D785	L750-Y780 HydrophobicContact CB-CD1 4.36Å; L750-Y780 HydrophobicContact CD2-CD1 3.67Å; L750-Y780 HydrophobicContact CD2-CG 4.29Å; P778-Y780 VanDerWaalsContact C-N 3.32Å; P778-Y780 WeakPolarHBondContact CB-O 3.48Å; P778-Y780 PolarHBondContact O-N 2.99Å; Y780-L782 VanDerWaalsContact C-N 3.3Å; Y780-R783 HydrophobicContact CD2-CB 3.82Å; Y780-R783 HydrophobicContact CD2-CG 4.28Å; Y780-R783 HydrophobicContact CG-CB 4.08Å; Y780-R783 HydrophobicContact CG-CG 4.21Å; Y780-D785 HydrophobicContact CD2-CB 4.26Å; Y780-D785 HydrophobicContact CE2-CB 4.2Å
781	A	55.8	Low	69.8	Low	51 Å²	51	39.6 Å²	39.6	42%	0.421	21%	0.206	S	C	.	.	S	Bend	trans	-70.7	-31.5	176.7	0	0	0	0	0	112.1	P895	A781-P895 HydrophobicContact CB-CB 4.46Å
782	L	54.3	Low	70.1	Confident	36 Å²	36	36.5 Å²	36.5	19%	0.188	20%	0.198	C	C	.	.	S	Bend	trans	-142	4.6	-161.7	-70.8	164.2	0	0	0	114.9	Y780 A899 E900	Y780-L782 VanDerWaalsContact C-N 3.3Å; L782-A899 VanDerWaalsContact CD1-CA 3.44Å; L782-A899 WeakPolarHBondContact CD1-O 3.41Å; L782-E900 HydrophobicContact CB-CB 4.31Å; L782-E900 HydrophobicContact CD1-CB 3.6Å; L782-E900 HydrophobicContact CD1-CG 4.28Å
783	R	63	Low	70.2	Confident	121 Å²	121	34.5 Å²	34.5	46%	0.457	18%	0.181	S	C	.	.	S	Bend	trans	-97.9	152.4	164.2	-61.7	172.7	48.8	141.9	-0	110.1	Y780 D785	Y780-R783 HydrophobicContact CD2-CB 3.82Å; Y780-R783 HydrophobicContact CD2-CG 4.28Å; Y780-R783 HydrophobicContact CG-CB 4.08Å; Y780-R783 HydrophobicContact CG-CG 4.21Å; R783-D785 IonicContact CZ-OD2 3.22Å; R783-D785 IonicContact NE-OD2 2.61Å; R783-D785 PolarHBondContact NE-OD2 3.43Å; R783-D785 IonicContact NH2-OD1 2.87Å; R783-D785 IonicContact NH2-OD2 2.69Å; R783-D785 PolarHBondContact NH2-OD2 2.85Å; R783-D785 PolarHBondContact O-N 2.89Å
784	D	66	Low	69.8	Low	34 Å²	34	38.1 Å²	38.1	18%	0.182	20%	0.198	C	C	.	.	S	Bend	trans	-76.9	-6.5	-174.4	-47.1	-50.9	0	0	0	113.9	I786 T795 C797 R806 F807	D784-I786 PolarHBondContact O-N 2.84Å; D784-T795 WeakPolarHBondContact CB-O 3.15Å; D784-T795 PolarHBondContact O-OG1 2.72Å; D784-C797 WeakPolarHBondContact OD1-CA 3.31Å; D784-C797 PolarHBondContact OD2-N 3.39Å; D784-R806 IonicContact OD2-NH1 3.7Å; D784-F807 WeakPolarHBondContact OD1-CE2 3.37Å
785	D	72.4	Confident	69.5	Low	3 Å²	3	35.3 Å²	35.3	2%	0.016	18%	0.18	C	C	.	.			trans	-69.2	131	-176.3	-43.1	-57.4	0	0	0	110.3	P778 C779 Y780 R783 C792 W793 E794	P778-D785 CarbonylContact C-O 3.58Å; P778-D785 WeakPolarHBondContact CA-O 3.38Å; C779-D785 PolarHBondContact N-O 3.36Å; C779-D785 VanDerWaalsContact SG-C 3.52Å; C779-D785 PolarHBondContact SG-O 2.01Å; Y780-D785 HydrophobicContact CD2-CB 4.26Å; Y780-D785 HydrophobicContact CE2-CB 4.2Å; R783-D785 IonicContact CZ-OD2 3.22Å; R783-D785 IonicContact NE-OD2 2.61Å; R783-D785 PolarHBondContact NE-OD2 3.43Å; R783-D785 IonicContact NH2-OD1 2.87Å; R783-D785 IonicContact NH2-OD2 2.69Å; R783-D785 PolarHBondContact NH2-OD2 2.85Å; R783-D785 PolarHBondContact O-N 2.89Å; D785-C792 VanDerWaalsContact CB-SG 3.57Å; D785-W793 CarbonylContact C-O 3.56Å; D785-W793 WeakPolarHBondContact CA-O 3.15Å; D785-W793 WeakPolarHBondContact CB-O 3.45Å; D785-E794 WeakPolarHBondContact OD1-CA 3.48Å
786	I	75.1	Confident	68.7	Low	5 Å²	5	33.8 Å²	33.8	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	152.6	-175.4	70.4	-177.6	0	0	0	112.4	V687 C779 D784 I788 W793 T795	V687-I786 HydrophobicContact CG1-CD1 3.82Å; C779-I786 PolarHBondContact SG-O 2.9Å; D784-I786 PolarHBondContact O-N 2.84Å; I786-I788 HydrophobicContact CD1-CD1 4.16Å; I786-I788 HydrophobicContact CD1-CG1 4.21Å; I786-I788 HydrophobicContact CG1-CD1 4.18Å; I786-I788 HydrophobicContact CG1-CG1 3.99Å; I786-W793 PolarHBondContact N-O 3.47Å; I786-W793 PolarHBondContact O-N 2.99Å; I786-T795 HydrophobicContact CB-CG2 4.25Å; I786-T795 HydrophobicContact CD1-CG2 3.63Å; I786-T795 HydrophobicContact CG1-CG2 3.52Å; I786-T795 HydrophobicContact CG2-CG2 4.02Å
787	C	79.3	Confident	68.5	Low	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	134.8	170.1	-61.3	0	0	0	0	110.7	C756 D775 G776 T777 K791	C756-C787 WeakPolarHBondContact CA-SG 3.44Å; C756-C787 HydrophobicContact CB-CB 3.75Å; C756-C787 WeakPolarHBondContact CB-SG 3.19Å; C756-C787 WeakPolarHBondContact SG-CA 3.35Å; C756-C787 WeakPolarHBondContact SG-CB 2.95Å; C756-C787 CovalentContact SG-SG 2.04Å; C756-C787 PolarHBondContact SG-SG 3.32Å; D775-C787 CarbonylContact C-O 3.48Å; D775-C787 VanDerWaalsContact CA-O 3.27Å; D775-C787 WeakPolarHBondContact CA-O 3.46Å; G776-C787 PolarHBondContact N-O 3.49Å; T777-C787 WeakPolarHBondContact O-CB 2.99Å; T777-C787 PolarHBondContact O-N 2.96Å; T777-C787 PolarHBondContact O-SG 3.03Å; T777-C787 VanDerWaalsContact O-SG 3.37Å; C787-K791 CarbonylContact C-O 3.48Å; C787-K791 VanDerWaalsContact CA-O 3.32Å; C787-K791 WeakPolarHBondContact CA-O 3.1Å
788	I	73.6	Confident	68	Low	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	123.7	170.4	-51.5	176.2	0	0	0	107.6	V687 F689 M713 D775 I786 G790 K791 W793 L801	V687-I788 HydrophobicContact CG1-CD1 3.69Å; V687-I788 HydrophobicContact CG1-CG1 4.09Å; V687-I788 HydrophobicContact CG2-CG2 4.42Å; F689-I788 HydrophobicContact CE1-CG2 3.87Å; F689-I788 HydrophobicContact CZ-CG2 3.59Å; M713-I788 HydrophobicContact CE-CG2 4.32Å; M713-I788 HydrophobicContact SD-CD1 4.05Å; D775-I788 WeakPolarHBondContact OD1-CA 3.5Å; I786-I788 HydrophobicContact CD1-CD1 4.16Å; I786-I788 HydrophobicContact CD1-CG1 4.21Å; I786-I788 HydrophobicContact CG1-CD1 4.18Å; I786-I788 HydrophobicContact CG1-CG1 3.99Å; I788-G790 PolarHBondContact O-N 3.25Å; I788-K791 PolarHBondContact N-O 2.76Å; I788-K791 PolarHBondContact O-N 3.45Å; I788-W793 HydrophobicContact CB-CG 4.1Å; I788-W793 HydrophobicContact CD1-CB 3.83Å; I788-W793 HydrophobicContact CD1-CD2 3.88Å; I788-W793 HydrophobicContact CD1-CE3 4.29Å; I788-W793 HydrophobicContact CD1-CG 3.66Å; I788-W793 HydrophobicContact CG1-CB 4.21Å; I788-W793 HydrophobicContact CG1-CG 4.01Å; I788-L801 HydrophobicContact CD1-CD1 3.78Å; I788-L801 HydrophobicContact CD1-CD2 3.64Å; I788-L801 HydrophobicContact CD1-CG 4.19Å
789	Q	65.3	Low	67.6	Low	106 Å²	106	35 Å²	35	50%	0.495	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	41.9	-178.1	-64.7	176.1	-26.5	0	0	112.2	F689 D775 K791	F689-Q789 HydrophobicContact CE1-CG 4.18Å; F689-Q789 HydrophobicContact CZ-CG 4Å; D775-Q789 PolarHBondContact OD1-N 2.04Å; Q789-K791 PolarHBondContact O-N 3.09Å
790	G	67	Low	67.4	Low	11 Å²	11	36.5 Å²	36.5	11%	0.113	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	2.5	-179.9	0	0	0	0	0	116.3	C756 S772 I788	C756-G790 VanDerWaalsContact CB-O 3.31Å; C756-G790 WeakPolarHBondContact CB-O 3.34Å; S772-G790 WeakPolarHBondContact OG-CA 3.19Å; I788-G790 PolarHBondContact O-N 3.25Å
791	K	63.5	Low	67.3	Low	114 Å²	114	35 Å²	35	50%	0.496	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	154.2	175.1	-66.4	171	-177.4	170.2	0	109.8	C787 I788 Q789	C787-K791 CarbonylContact C-O 3.48Å; C787-K791 VanDerWaalsContact CA-O 3.32Å; C787-K791 WeakPolarHBondContact CA-O 3.1Å; I788-K791 PolarHBondContact N-O 2.76Å; I788-K791 PolarHBondContact O-N 3.45Å; Q789-K791 PolarHBondContact O-N 3.09Å
792	C	69.7	Low	67.4	Low	48 Å²	48	33 Å²	33	32%	0.324	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	138.1	174.8	-170.9	0	0	0	0	111.4	C779 D785	C779-C792 HydrophobicContact CB-CB 3.99Å; C779-C792 WeakPolarHBondContact CB-SG 3.09Å; C779-C792 WeakPolarHBondContact SG-CA 3.26Å; C779-C792 WeakPolarHBondContact SG-CB 3.43Å; C779-C792 CovalentContact SG-SG 2.03Å; C779-C792 PolarHBondContact SG-SG 3.03Å; D785-C792 VanDerWaalsContact CB-SG 3.57Å
793	W	70.3	Confident	67.7	Low	19 Å²	19	32.4 Å²	32.4	7%	0.072	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.1	-174.5	-78.2	71.2	0	0	0	112.1	M251 I256 L309 F311 M713 D785 I786 I788 T795 L801	M251-W793 HydrophobicContact CE-CB 3.98Å; M251-W793 HydrophobicContact CE-CD2 3.82Å; M251-W793 HydrophobicContact CE-CE3 3.47Å; M251-W793 VanDerWaalsContact CE-CE3 3.47Å; M251-W793 HydrophobicContact CE-CG 4.07Å; M251-W793 HydrophobicContact CE-CZ3 4.2Å; M251-W793 HydrophobicContact SD-CD2 3.9Å; M251-W793 HydrophobicContact SD-CE3 3.59Å; M251-W793 VanDerWaalsContact SD-CE3 3.59Å; M251-W793 HydrophobicContact SD-CH2 4.31Å; M251-W793 HydrophobicContact SD-CZ3 3.82Å; I256-W793 HydrophobicContact CD1-CH2 3.8Å; I256-W793 HydrophobicContact CD1-CZ3 3.62Å; L309-W793 HydrophobicContact CD1-CZ3 4.27Å; F311-W793 AromaticContact CE1-CH2 3.53Å; F311-W793 HydrophobicContact CE1-CH2 3.53Å; F311-W793 HydrophobicContact CE1-CZ2 4.01Å; F311-W793 AromaticContact CZ-CH2 3.49Å; F311-W793 HydrophobicContact CZ-CH2 3.49Å; F311-W793 VanDerWaalsContact CZ-CH2 3.49Å; F311-W793 AromaticContact CZ-CZ2 3.79Å; F311-W793 HydrophobicContact CZ-CZ2 3.79Å; M713-W793 HydrophobicContact CE-CH2 3.53Å; M713-W793 HydrophobicContact CE-CZ2 3.73Å; M713-W793 HydrophobicContact CE-CZ3 4.1Å; M713-W793 HydrophobicContact SD-CE3 4.1Å; M713-W793 HydrophobicContact SD-CH2 3.76Å; M713-W793 HydrophobicContact SD-CZ2 4.26Å; M713-W793 HydrophobicContact SD-CZ3 3.66Å; D785-W793 CarbonylContact C-O 3.56Å; D785-W793 WeakPolarHBondContact CA-O 3.15Å; D785-W793 WeakPolarHBondContact CB-O 3.45Å; I786-W793 PolarHBondContact N-O 3.47Å; I786-W793 PolarHBondContact O-N 2.99Å; I788-W793 HydrophobicContact CB-CG 4.1Å; I788-W793 HydrophobicContact CD1-CB 3.83Å; I788-W793 HydrophobicContact CD1-CD2 3.88Å; I788-W793 HydrophobicContact CD1-CE3 4.29Å; I788-W793 HydrophobicContact CD1-CG 3.66Å; I788-W793 HydrophobicContact CG1-CB 4.21Å; I788-W793 HydrophobicContact CG1-CG 4.01Å; W793-T795 PolarHBondContact O-N 2.96Å; W793-L801 HydrophobicContact CB-CD2 4.07Å; W793-L801 HydrophobicContact CD2-CD2 4.47Å; W793-L801 HydrophobicContact CE3-CD2 3.84Å
794	E	66.7	Low	67.4	Low	79 Å²	79	33.8 Å²	33.8	37%	0.369	17%	0.171	S	C	.	.			trans	-64.5	122.4	173.8	-66.8	-161.7	-170	0	0	111.9	M251 D785 G802 R806	M251-E794 HydrophobicContact CE-CB 4.29Å; M251-E794 VanDerWaalsContact CE-N 3.34Å; D785-E794 WeakPolarHBondContact OD1-CA 3.48Å; E794-G802 PolarHBondContact O-N 2.92Å; E794-G802 VanDerWaalsContact O-N 3.15Å; E794-R806 IonicContact OE2-NH2 3.71Å; E794-R806 PolarHBondContact OE2-NH2 3.03Å
795	T	69.6	Low	67.4	Low	2 Å²	2	33.7 Å²	33.7	1%	0.012	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-121.3	161.9	163.6	92.8	0	0	0	0	109.2	D784 I786 W793 I800 L801 R806	D784-T795 WeakPolarHBondContact CB-O 3.15Å; D784-T795 PolarHBondContact O-OG1 2.72Å; I786-T795 HydrophobicContact CB-CG2 4.25Å; I786-T795 HydrophobicContact CD1-CG2 3.63Å; I786-T795 HydrophobicContact CG1-CG2 3.52Å; I786-T795 HydrophobicContact CG2-CG2 4.02Å; W793-T795 PolarHBondContact O-N 2.96Å; T795-I800 CarbonylContact C-O 3.6Å; T795-I800 WeakPolarHBondContact CA-O 3.39Å; T795-I800 WeakPolarHBondContact CB-O 3.5Å; T795-L801 HydrophobicContact CG2-CD2 4.02Å; T795-L801 HydrophobicContact CG2-CG 4.19Å; T795-R806 PolarHBondContact O-NH1 3.17Å
796	G	64.8	Low	67	Low	1 Å²	1	38 Å²	38	1%	0.01	19%	0.186	C	C	.	.			trans	-78.2	169.2	169.6	0	0	0	0	0	112	D798 G799 I800 L805	G796-D798 VanDerWaalsContact CA-OD1 3.24Å; G796-D798 WeakPolarHBondContact CA-OD1 2.95Å; G796-D798 PolarHBondContact O-N 3.27Å; G796-G799 PolarHBondContact O-N 3.24Å; G796-I800 PolarHBondContact N-O 3.41Å; G796-L805 CarbonylContact C-O 3.56Å; G796-L805 WeakPolarHBondContact CA-O 3.43Å
797	C	72	Confident	66.7	Low	20 Å²	20	41.4 Å²	41.4	14%	0.135	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-3	174.4	57.4	0	0	0	0	114.6	D784 L805 R806 F807 C813 G814	D784-C797 WeakPolarHBondContact OD1-CA 3.31Å; D784-C797 PolarHBondContact OD2-N 3.39Å; C797-L805 PolarHBondContact N-O 2.92Å; C797-L805 PolarHBondContact SG-O 2.76Å; C797-R806 PolarHBondContact SG-O 2.86Å; C797-F807 HydrophobicContact CB-CD1 4.21Å; C797-F807 HydrophobicContact CB-CD2 3.67Å; C797-F807 HydrophobicContact CB-CE1 4.15Å; C797-F807 HydrophobicContact CB-CE2 3.6Å; C797-F807 HydrophobicContact CB-CG 3.99Å; C797-F807 HydrophobicContact CB-CZ 3.84Å; C797-C813 VanDerWaalsContact CA-SG 3.56Å; C797-C813 HydrophobicContact CB-CB 3.63Å; C797-C813 WeakPolarHBondContact CB-SG 3.05Å; C797-C813 PolarHBondContact O-SG 2.68Å; C797-C813 WeakPolarHBondContact SG-CA 3.35Å; C797-C813 WeakPolarHBondContact SG-CB 3.49Å; C797-C813 CovalentContact SG-SG 2.04Å; C797-C813 PolarHBondContact SG-SG 3.37Å; C797-G814 PolarHBondContact SG-N 3.01Å
798	D	67.4	Low	66.5	Low	38 Å²	38	42 Å²	42	20%	0.203	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-0.5	171.1	52	10.2	0	0	0	112.7	G796 I800 S803 L805 C813	G796-D798 VanDerWaalsContact CA-OD1 3.24Å; G796-D798 WeakPolarHBondContact CA-OD1 2.95Å; G796-D798 PolarHBondContact O-N 3.27Å; D798-I800 HydrophobicContact CB-CD1 4.31Å; D798-I800 HydrophobicContact CB-CG1 4.3Å; D798-I800 PolarHBondContact O-N 2.81Å; D798-I800 WeakPolarHBondContact OD1-CB 3.46Å; D798-I800 PolarHBondContact OD1-N 2.65Å; D798-S803 VanDerWaalsContact OD1-CB 3.31Å; D798-S803 WeakPolarHBondContact OD1-CB 3.39Å; D798-S803 PolarHBondContact OD1-OG 3.29Å; D798-S803 VanDerWaalsContact OD2-CB 3.28Å; D798-S803 WeakPolarHBondContact OD2-CB 3.43Å; D798-S803 PolarHBondContact OD2-OG 2.79Å; D798-L805 HydrophobicContact CB-CD1 4.1Å; D798-L805 WeakPolarHBondContact OD2-CD1 3.07Å; D798-L805 WeakPolarHBondContact OD2-CG 3.42Å; D798-C813 PolarHBondContact N-SG 2.86Å
799	G	65.6	Low	66.7	Low	12 Å²	12	48 Å²	48	12%	0.124	23%	0.227	C	C	.	.	S	Bend	trans	72.1	10.4	-173.2	0	0	0	0	0	114	S715 G796	S715-G799 PolarHBondContact OG-O 2.8Å; G796-G799 PolarHBondContact O-N 3.24Å
800	I	66.3	Low	67.2	Low	33 Å²	33	42.9 Å²	42.9	17%	0.169	20%	0.203	C	C	.	.			trans	-93.3	121.8	-175.9	-63.8	174.7	0	0	0	110.3	P307 S715 N718 T795 G796 D798 G802 S803	P307-I800 VanDerWaalsContact CD-CG2 3.5Å; P307-I800 HydrophobicContact CG-CG2 3.59Å; S715-I800 WeakPolarHBondContact OG-CA 3.08Å; N718-I800 VanDerWaalsContact ND2-CG1 3.25Å; N718-I800 WeakPolarHBondContact ND2-CG1 3.19Å; T795-I800 CarbonylContact C-O 3.6Å; T795-I800 WeakPolarHBondContact CA-O 3.39Å; T795-I800 WeakPolarHBondContact CB-O 3.5Å; G796-I800 PolarHBondContact N-O 3.41Å; D798-I800 HydrophobicContact CB-CD1 4.31Å; D798-I800 HydrophobicContact CB-CG1 4.3Å; D798-I800 PolarHBondContact O-N 2.81Å; D798-I800 WeakPolarHBondContact OD1-CB 3.46Å; D798-I800 PolarHBondContact OD1-N 2.65Å; I800-G802 PolarHBondContact O-N 3.39Å; I800-S803 WeakPolarHBondContact O-CB 3.08Å; I800-S803 PolarHBondContact O-N 3.47Å
801	L	65.5	Low	67.6	Low	1 Å²	1	45.4 Å²	45.4	1%	0.005	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-55.1	126.4	176.2	-93.5	166.2	0	0	0	111.5	L309 V687 M713 S715 I788 W793 T795 S803	L309-L801 HydrophobicContact CD1-CB 3.9Å; L309-L801 HydrophobicContact CD1-CD2 4.36Å; V687-L801 HydrophobicContact CG1-CD1 3.63Å; M713-L801 HydrophobicContact CG-CD1 4.3Å; M713-L801 HydrophobicContact SD-CD1 3.96Å; S715-L801 PolarHBondContact OG-N 3.14Å; I788-L801 HydrophobicContact CD1-CD1 3.78Å; I788-L801 HydrophobicContact CD1-CD2 3.64Å; I788-L801 HydrophobicContact CD1-CG 4.19Å; W793-L801 HydrophobicContact CB-CD2 4.07Å; W793-L801 HydrophobicContact CD2-CD2 4.47Å; W793-L801 HydrophobicContact CE3-CD2 3.84Å; T795-L801 HydrophobicContact CG2-CD2 4.02Å; T795-L801 HydrophobicContact CG2-CG 4.19Å; L801-S803 PolarHBondContact O-N 2.82Å
802	G	57.3	Low	68.1	Low	11 Å²	11	41 Å²	41	11%	0.113	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	2.7	-176.7	0	0	0	0	0	115.5	V249 E794 I800	V249-G802 VanDerWaalsContact CG2-CA 3.5Å; E794-G802 PolarHBondContact O-N 2.92Å; E794-G802 VanDerWaalsContact O-N 3.15Å; I800-G802 PolarHBondContact O-N 3.39Å
803	S	60.5	Low	68.3	Low	22 Å²	22	39.9 Å²	39.9	15%	0.154	18%	0.184	C	C	.	.			trans	-64.3	140	173.9	178.9	0	0	0	0	111.1	D798 I800 L801 L805	D798-S803 VanDerWaalsContact OD1-CB 3.31Å; D798-S803 WeakPolarHBondContact OD1-CB 3.39Å; D798-S803 PolarHBondContact OD1-OG 3.29Å; D798-S803 VanDerWaalsContact OD2-CB 3.28Å; D798-S803 WeakPolarHBondContact OD2-CB 3.43Å; D798-S803 PolarHBondContact OD2-OG 2.79Å; I800-S803 WeakPolarHBondContact O-CB 3.08Å; I800-S803 PolarHBondContact O-N 3.47Å; L801-S803 PolarHBondContact O-N 2.82Å; S803-L805 VanDerWaalsContact C-N 3.31Å; S803-L805 PolarHBondContact OG-N 3.26Å
804	R	58.5	Low	68.2	Low	150 Å²	150	39.2 Å²	39.2	57%	0.566	18%	0.183	S	C	*	.			trans	-91.2	6.7	176.7	-61	-179.3	179	171.7	-3.2	112.4	Q247 S248 R806	Q247-R804 VanDerWaalsContact OE1-NE 3.12Å; S248-R804 PolarHBondContact O-NH2 3.34Å; R804-R806 PolarHBondContact O-N 2.79Å
805	L	64.8	Low	68.3	Low	33 Å²	33	36.1 Å²	36.1	17%	0.173	17%	0.173	C	C	.	.			trans	-69.1	122.9	170.1	-61.3	-159.8	0	0	0	109.2	G796 C797 D798 S803 L1860	G796-L805 CarbonylContact C-O 3.56Å; G796-L805 WeakPolarHBondContact CA-O 3.43Å; C797-L805 PolarHBondContact N-O 2.92Å; C797-L805 PolarHBondContact SG-O 2.76Å; D798-L805 HydrophobicContact CB-CD1 4.1Å; D798-L805 WeakPolarHBondContact OD2-CD1 3.07Å; D798-L805 WeakPolarHBondContact OD2-CG 3.42Å; S803-L805 VanDerWaalsContact C-N 3.31Å; S803-L805 PolarHBondContact OG-N 3.26Å; L805-L1860 HydrophobicContact CD1-CD2 4.28Å
806	R	65	Low	68.4	Low	94 Å²	94	36.6 Å²	36.6	36%	0.355	18%	0.175	S	C	.	.			trans	-119.5	155.7	171.3	-60.9	-61.3	-179.1	-163.4	-1.6	108.3	D784 E794 T795 C797 R804 G814	D784-R806 IonicContact OD2-NH1 3.7Å; E794-R806 IonicContact OE2-NH2 3.71Å; E794-R806 PolarHBondContact OE2-NH2 3.03Å; T795-R806 PolarHBondContact O-NH1 3.17Å; C797-R806 PolarHBondContact SG-O 2.86Å; R804-R806 PolarHBondContact O-N 2.79Å; R806-G814 PolarHBondContact O-N 3.34Å
807	F	68.9	Low	68.8	Low	76 Å²	76	39 Å²	39	33%	0.333	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-60.6	135.6	167.2	-76.7	-66.6	0	0	0	110.3	D784 C797 R811 C813	D784-F807 WeakPolarHBondContact OD1-CE2 3.37Å; C797-F807 HydrophobicContact CB-CD1 4.21Å; C797-F807 HydrophobicContact CB-CD2 3.67Å; C797-F807 HydrophobicContact CB-CE1 4.15Å; C797-F807 HydrophobicContact CB-CE2 3.6Å; C797-F807 HydrophobicContact CB-CG 3.99Å; C797-F807 HydrophobicContact CB-CZ 3.84Å; F807-R811 HydrophobicContact CB-CG 4.4Å; F807-R811 HydrophobicContact CD1-CB 4.42Å; F807-R811 HydrophobicContact CD1-CG 3.71Å; F807-R811 WeakPolarHBondContact CD1-O 3.31Å; F807-R811 HydrophobicContact CE1-CG 4.06Å; F807-R811 HydrophobicContact CG-CG 3.97Å; F807-C813 HydrophobicContact CD1-CB 4.13Å; F807-C813 HydrophobicContact CE1-CB 3.86Å
808	D	73.6	Confident	68.8	Low	12 Å²	12	39.8 Å²	39.8	6%	0.064	19%	0.193	C	C	.	.			trans	-74.9	-177.3	168	75.6	-2.2	0	0	0	111.4	C810 R811 V812 D816 N817	D808-C810 PolarHBondContact O-N 3.48Å; D808-C810 VanDerWaalsContact OD1-C 3.29Å; D808-C810 VanDerWaalsContact OD1-CA 3.27Å; D808-C810 WeakPolarHBondContact OD1-CA 3.44Å; D808-C810 VanDerWaalsContact OD1-CB 3.22Å; D808-C810 WeakPolarHBondContact OD1-CB 3.15Å; D808-C810 PolarHBondContact OD1-N 2.95Å; D808-R811 PolarHBondContact O-N 3.27Å; D808-R811 PolarHBondContact OD1-N 3.29Å; D808-V812 PolarHBondContact N-O 2.76Å; D808-V812 PolarHBondContact OD1-N 2.03Å; D808-D816 PolarHBondContact OD2-N 2.94Å; D808-N817 WeakPolarHBondContact OD2-CA 3.43Å; D808-N817 PolarHBondContact OD2-N 2.03Å
809	R	78.3	Confident	69.2	Low	125 Å²	125	39.5 Å²	39.5	47%	0.472	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.9	179.1	-57.2	179.3	-158.2	-172.1	6.1	113.6	R811 N817 E822 T853 F946	R809-R811 VanDerWaalsContact C-N 3.32Å; R809-N817 WeakPolarHBondContact CB-OD1 3Å; R809-N817 WeakPolarHBondContact CG-OD1 3.46Å; R809-N817 PolarHBondContact N-OD1 3.39Å; R809-E822 IonicContact NH1-OE1 2.71Å; R809-T853 WeakPolarHBondContact O-CB 3.39Å; R809-T853 PolarHBondContact O-OG1 3.27Å; R809-T853 VanDerWaalsContact O-OG1 3.05Å; R809-F946 HydrophobicContact CB-CD1 3.71Å; R809-F946 HydrophobicContact CB-CD2 3.94Å; R809-F946 HydrophobicContact CB-CE1 3.7Å; R809-F946 HydrophobicContact CB-CE2 3.97Å; R809-F946 HydrophobicContact CB-CG 3.84Å; R809-F946 HydrophobicContact CB-CZ 3.86Å; R809-F946 HydrophobicContact CG-CE1 4.27Å; R809-F946 HydrophobicContact CG-CE2 4.35Å; R809-F946 HydrophobicContact CG-CZ 4.11Å; R809-F946 VanDerWaalsContact O-CB 3.32Å; R809-F946 WeakPolarHBondContact O-CB 3.16Å
810	C	76.5	Confident	69.8	Low	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-1.1	173.5	-46.2	0	0	0	0	113.2	D808 V812 N817 T819 C820 T853	D808-C810 PolarHBondContact O-N 3.48Å; D808-C810 VanDerWaalsContact OD1-C 3.29Å; D808-C810 VanDerWaalsContact OD1-CA 3.27Å; D808-C810 WeakPolarHBondContact OD1-CA 3.44Å; D808-C810 VanDerWaalsContact OD1-CB 3.22Å; D808-C810 WeakPolarHBondContact OD1-CB 3.15Å; D808-C810 PolarHBondContact OD1-N 2.95Å; C810-V812 VanDerWaalsContact C-N 3.3Å; C810-V812 HydrophobicContact CB-CG2 4.35Å; C810-V812 PolarHBondContact O-N 2.85Å; C810-N817 VanDerWaalsContact SG-CA 3.54Å; C810-T819 WeakPolarHBondContact CB-OG1 3.38Å; C810-T819 PolarHBondContact SG-OG1 3.22Å; C810-C820 WeakPolarHBondContact CA-SG 3.37Å; C810-C820 HydrophobicContact CB-CB 3.53Å; C810-C820 WeakPolarHBondContact CB-SG 3.32Å; C810-C820 WeakPolarHBondContact SG-CB 3.4Å; C810-C820 PolarHBondContact SG-N 3.14Å; C810-C820 CovalentContact SG-SG 2.02Å; C810-C820 PolarHBondContact SG-SG 3.13Å; C810-T853 WeakPolarHBondContact CA-OG1 3.31Å
811	R	75.5	Confident	70.5	Confident	64 Å²	64	39.4 Å²	39.4	24%	0.242	19%	0.189	C	C	.	.			trans	56.3	39.2	-169.3	-155.7	-167.3	-176.4	171.9	2.2	113.4	F807 D808 R809 T853	F807-R811 HydrophobicContact CB-CG 4.4Å; F807-R811 HydrophobicContact CD1-CB 4.42Å; F807-R811 HydrophobicContact CD1-CG 3.71Å; F807-R811 WeakPolarHBondContact CD1-O 3.31Å; F807-R811 HydrophobicContact CE1-CG 4.06Å; F807-R811 HydrophobicContact CG-CG 3.97Å; D808-R811 PolarHBondContact O-N 3.27Å; D808-R811 PolarHBondContact OD1-N 3.29Å; R809-R811 VanDerWaalsContact C-N 3.32Å; R811-T853 HydrophobicContact CB-CG2 3.56Å
812	V	74.3	Confident	71.4	Confident	21 Å²	21	42.8 Å²	42.8	13%	0.127	21%	0.205	C	C	.	.			trans	-95.1	127.4	163.3	176.1	0	0	0	0	108.6	D808 C810 G814 G815 T819 L1860	D808-V812 PolarHBondContact N-O 2.76Å; D808-V812 PolarHBondContact OD1-N 2.03Å; C810-V812 VanDerWaalsContact C-N 3.3Å; C810-V812 HydrophobicContact CB-CG2 4.35Å; C810-V812 PolarHBondContact O-N 2.85Å; V812-G814 PolarHBondContact O-N 3.13Å; V812-G815 PolarHBondContact O-N 2.93Å; V812-G815 VanDerWaalsContact O-N 3.1Å; V812-T819 HydrophobicContact CG2-CG2 4.04Å; V812-T819 VanDerWaalsContact CG2-OG1 3.23Å; V812-T819 WeakPolarHBondContact CG2-OG1 3.35Å; V812-L1860 HydrophobicContact CG1-CD1 4.36Å
813	C	73.2	Confident	72.5	Confident	25 Å²	25	43 Å²	43	17%	0.169	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-67.6	128.9	-179.2	175.4	0	0	0	0	110.9	C797 D798 F807 G815 L1860	C797-C813 VanDerWaalsContact CA-SG 3.56Å; C797-C813 HydrophobicContact CB-CB 3.63Å; C797-C813 WeakPolarHBondContact CB-SG 3.05Å; C797-C813 PolarHBondContact O-SG 2.68Å; C797-C813 WeakPolarHBondContact SG-CA 3.35Å; C797-C813 WeakPolarHBondContact SG-CB 3.49Å; C797-C813 CovalentContact SG-SG 2.04Å; C797-C813 PolarHBondContact SG-SG 3.37Å; D798-C813 PolarHBondContact N-SG 2.86Å; F807-C813 HydrophobicContact CD1-CB 4.13Å; F807-C813 HydrophobicContact CE1-CB 3.86Å; C813-G815 PolarHBondContact O-N 3.15Å; C813-L1860 WeakPolarHBondContact O-CD1 3.49Å; C813-L1860 WeakPolarHBondContact O-CD2 3.36Å
814	G	67.1	Low	73.5	Confident	4 Å²	4	47.3 Å²	47.3	4%	0.041	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	14.3	-175.1	0	0	0	0	0	113.2	C797 R806 V812 K1827	C797-G814 PolarHBondContact SG-N 3.01Å; R806-G814 PolarHBondContact O-N 3.34Å; V812-G814 PolarHBondContact O-N 3.13Å; G814-K1827 VanDerWaalsContact O-CD 3.25Å; G814-K1827 WeakPolarHBondContact O-CD 3.27Å
815	G	70.8	Confident	74.4	Confident	15 Å²	15	41 Å²	41	16%	0.155	20%	0.201	C	C	.	.			trans	-68	-176.3	178.5	0	0	0	0	0	112.5	V812 C813	V812-G815 PolarHBondContact O-N 2.93Å; V812-G815 VanDerWaalsContact O-N 3.1Å; C813-G815 PolarHBondContact O-N 3.15Å
816	D	70.6	Confident	75.1	Confident	11 Å²	11	42.5 Å²	42.5	6%	0.059	21%	0.211	C	C	.	.			trans	-134	-1.3	-160.9	59.7	-3.8	0	0	0	112.9	D808 S818 F1826 K1827	D808-D816 PolarHBondContact OD2-N 2.94Å; D816-S818 VanDerWaalsContact CG-OG 3.28Å; D816-S818 WeakPolarHBondContact OD1-CB 3.47Å; D816-S818 PolarHBondContact OD1-N 3.39Å; D816-S818 PolarHBondContact OD1-OG 2.7Å; D816-S818 PolarHBondContact OD2-OG 2.95Å; D816-F1826 HydrophobicContact CB-CB 3.72Å; D816-F1826 HydrophobicContact CB-CD1 3.51Å; D816-F1826 HydrophobicContact CB-CE1 4.29Å; D816-F1826 HydrophobicContact CB-CG 3.81Å; D816-F1826 WeakPolarHBondContact O-CD1 3.41Å; D816-F1826 WeakPolarHBondContact O-CE1 3.29Å; D816-F1826 VanDerWaalsContact O-CZ 3.27Å; D816-F1826 WeakPolarHBondContact O-CZ 3.22Å; D816-F1826 WeakPolarHBondContact OD2-CD1 3.44Å; D816-K1827 HydrophobicContact CB-CB 4.27Å; D816-K1827 VanDerWaalsContact CB-N 3.31Å
817	N	73	Confident	75.6	Confident	51 Å²	51	38.8 Å²	38.8	27%	0.273	20%	0.198	S	C	.	.	S	Bend	trans	75.1	18.4	-169.1	-39	-85.3	0	0	0	114.6	D808 R809 C810 F1826	D808-N817 WeakPolarHBondContact OD2-CA 3.43Å; D808-N817 PolarHBondContact OD2-N 2.03Å; R809-N817 WeakPolarHBondContact CB-OD1 3Å; R809-N817 WeakPolarHBondContact CG-OD1 3.46Å; R809-N817 PolarHBondContact N-OD1 3.39Å; C810-N817 VanDerWaalsContact SG-CA 3.54Å; N817-F1826 HydrophobicContact CB-CZ 4.49Å
818	S	72.7	Confident	75.4	Confident	37 Å²	37	38.3 Å²	38.3	26%	0.259	20%	0.199	S	C	.	.			trans	-83.1	-28.6	-178.7	66.5	0	0	0	0	114.5	D816 C820 K949	D816-S818 VanDerWaalsContact CG-OG 3.28Å; D816-S818 WeakPolarHBondContact OD1-CB 3.47Å; D816-S818 PolarHBondContact OD1-N 3.39Å; D816-S818 PolarHBondContact OD1-OG 2.7Å; D816-S818 PolarHBondContact OD2-OG 2.95Å; S818-C820 VanDerWaalsContact C-N 3.31Å; S818-C820 PolarHBondContact O-N 3.19Å; S818-K949 VanDerWaalsContact O-CD 3.27Å; S818-K949 WeakPolarHBondContact O-CD 3.07Å; S818-K949 VanDerWaalsContact O-CE 3.23Å; S818-K949 WeakPolarHBondContact O-CE 3.4Å; S818-K949 PolarHBondContact O-NZ 3.21Å
819	T	76.2	Confident	74.5	Confident	33 Å²	33	37.8 Å²	37.8	20%	0.202	20%	0.196	C	C	.	.	S	Bend	trans	-81.7	-8.6	-172	51.8	0	0	0	0	113.6	C810 V812 D948 K949	C810-T819 WeakPolarHBondContact CB-OG1 3.38Å; C810-T819 PolarHBondContact SG-OG1 3.22Å; V812-T819 HydrophobicContact CG2-CG2 4.04Å; V812-T819 VanDerWaalsContact CG2-OG1 3.23Å; V812-T819 WeakPolarHBondContact CG2-OG1 3.35Å; T819-D948 CarbonylContact O-C 3.59Å; T819-D948 WeakPolarHBondContact O-CA 3.34Å; T819-K949 PolarHBondContact O-N 2.84Å
820	C	78.4	Confident	73.2	Confident	5 Å²	5	37.8 Å²	37.8	3%	0.034	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	169.7	179.1	68.3	0	0	0	0	111.9	C810 S818 F946 I947 K949	C810-C820 WeakPolarHBondContact CA-SG 3.37Å; C810-C820 HydrophobicContact CB-CB 3.53Å; C810-C820 WeakPolarHBondContact CB-SG 3.32Å; C810-C820 WeakPolarHBondContact SG-CB 3.4Å; C810-C820 PolarHBondContact SG-N 3.14Å; C810-C820 CovalentContact SG-SG 2.02Å; C810-C820 PolarHBondContact SG-SG 3.13Å; S818-C820 VanDerWaalsContact C-N 3.31Å; S818-C820 PolarHBondContact O-N 3.19Å; C820-F946 HydrophobicContact CB-CB 4.33Å; C820-I947 CarbonylContact C-O 3.59Å; C820-I947 WeakPolarHBondContact CA-O 3.33Å; C820-I947 WeakPolarHBondContact CB-O 3.36Å; C820-K949 WeakPolarHBondContact O-CE 3.31Å
821	E	80.9	Confident	71.9	Confident	37 Å²	37	41.4 Å²	41.4	17%	0.173	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154	166.9	67.8	176.3	159.6	0	0	111.8	I823 F946 I947 K952	E821-I823 HydrophobicContact CG-CD1 3.81Å; E821-F946 CarbonylContact O-C 3.57Å; E821-F946 VanDerWaalsContact O-CA 3.28Å; E821-F946 WeakPolarHBondContact O-CA 3.4Å; E821-I947 HydrophobicContact CG-CG2 3.68Å; E821-I947 PolarHBondContact N-O 2.96Å; E821-I947 PolarHBondContact O-N 3.45Å; E821-K952 WeakPolarHBondContact OE1-CD 3.26Å; E821-K952 WeakPolarHBondContact OE1-CE 3.41Å; E821-K952 VanDerWaalsContact OE1-CG 3.24Å; E821-K952 WeakPolarHBondContact OE1-CG 3.3Å; E821-K952 IonicContact OE1-NZ 3.81Å; E821-K952 WeakPolarHBondContact OE2-CE 2.99Å; E821-K952 IonicContact OE2-NZ 2.73Å; E821-K952 PolarHBondContact OE2-NZ 2.73Å
822	E	82.5	Confident	70.4	Confident	72 Å²	72	40.7 Å²	40.7	34%	0.336	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	106.2	179.5	-170.1	179.9	-141.6	0	0	110.3	R809 K824 F946	R809-E822 IonicContact NH1-OE1 2.71Å; E822-K824 HydrophobicContact CG-CD 4.26Å; E822-K824 HydrophobicContact CG-CG 4.29Å; E822-K824 WeakPolarHBondContact OE1-CE 3.46Å; E822-K824 IonicContact OE1-NZ 2.64Å; E822-K824 PolarHBondContact OE1-NZ 2.97Å; E822-K824 WeakPolarHBondContact OE2-CE 3.2Å; E822-K824 IonicContact OE2-NZ 3.78Å; E822-K824 PolarHBondContact OE2-NZ 2.86Å; E822-F946 HydrophobicContact CB-CD1 3.98Å; E822-F946 HydrophobicContact CB-CE1 3.48Å; E822-F946 VanDerWaalsContact CB-CE1 3.48Å; E822-F946 HydrophobicContact CB-CZ 3.93Å; E822-F946 HydrophobicContact CG-CD1 4.34Å; E822-F946 HydrophobicContact CG-CE1 3.61Å; E822-F946 HydrophobicContact CG-CE2 4.17Å; E822-F946 HydrophobicContact CG-CZ 3.47Å; E822-F946 VanDerWaalsContact CG-CZ 3.47Å; E822-F946 WeakPolarHBondContact OE1-CZ 3.36Å
823	I	82.4	Confident	68.8	Low	15 Å²	15	41.9 Å²	41.9	8%	0.077	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	120.4	171.3	-50.4	-51	0	0	0	108.3	E821 S944 Y945 I947 F958	E821-I823 HydrophobicContact CG-CD1 3.81Å; I823-S944 CarbonylContact O-C 3.48Å; I823-S944 WeakPolarHBondContact O-CA 3.37Å; I823-Y945 HydrophobicContact CB-CD2 4Å; I823-Y945 HydrophobicContact CB-CE1 4.18Å; I823-Y945 HydrophobicContact CB-CE2 3.64Å; I823-Y945 HydrophobicContact CB-CG 4.43Å; I823-Y945 HydrophobicContact CG1-CD2 4.16Å; I823-Y945 HydrophobicContact CG1-CE2 3.66Å; I823-Y945 HydrophobicContact CG2-CE1 4.07Å; I823-Y945 HydrophobicContact CG2-CE2 4.1Å; I823-Y945 PolarHBondContact N-O 2.89Å; I823-Y945 PolarHBondContact O-N 2.79Å; I823-I947 HydrophobicContact CD1-CG2 3.8Å; I823-I947 HydrophobicContact CG1-CB 4.47Å; I823-I947 HydrophobicContact CG1-CG2 3.53Å; I823-F958 HydrophobicContact CD1-CE1 3.72Å; I823-F958 HydrophobicContact CD1-CZ 4.28Å; I823-F958 HydrophobicContact CG1-CE1 4.47Å
824	K	81.1	Confident	67.3	Low	114 Å²	114	44.8 Å²	44.8	50%	0.496	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.4	176.7	-90.3	167.5	175	156.2	0	111.1	E822 Y943	E822-K824 HydrophobicContact CG-CD 4.26Å; E822-K824 HydrophobicContact CG-CG 4.29Å; E822-K824 WeakPolarHBondContact OE1-CE 3.46Å; E822-K824 IonicContact OE1-NZ 2.64Å; E822-K824 PolarHBondContact OE1-NZ 2.97Å; E822-K824 WeakPolarHBondContact OE2-CE 3.2Å; E822-K824 IonicContact OE2-NZ 3.78Å; E822-K824 PolarHBondContact OE2-NZ 2.86Å; K824-Y943 WeakPolarHBondContact CA-O 3.44Å
825	G	77.9	Confident	65.7	Low	17 Å²	17	51.3 Å²	51.3	18%	0.175	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	168.8	171.5	0	0	0	0	0	112.5	Y943	G825-Y943 PolarHBondContact N-O 3Å; G825-Y943 WeakPolarHBondContact O-CD1 3.45Å; G825-Y943 PolarHBondContact O-N 2.9Å
826	V	78.7	Confident	64.3	Low	65 Å²	65	53.8 Å²	53.8	39%	0.394	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	116	176	-175.8	0	0	0	0	108.3	N828 R940 E942	V826-N828 PolarHBondContact O-N 3.36Å; V826-R940 HydrophobicContact CG1-CG 3.74Å; V826-E942 HydrophobicContact CG1-CG 4.14Å; V826-E942 HydrophobicContact CG2-CB 4.5Å; V826-E942 HydrophobicContact CG2-CG 4.16Å
827	F	74.8	Confident	63.2	Low	16 Å²	16	56.7 Å²	56.7	7%	0.07	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	106	167.3	-178.8	-82.6	0	0	0	108.2	L832 M843 A845 I927 V941	F827-L832 HydrophobicContact CD2-CD1 4.38Å; F827-L832 HydrophobicContact CE2-CD1 3.29Å; F827-L832 HydrophobicContact CZ-CD1 3.53Å; F827-M843 HydrophobicContact CE1-CE 3.56Å; F827-M843 HydrophobicContact CE1-SD 4.47Å; F827-M843 HydrophobicContact CZ-CE 3.41Å; F827-M843 VanDerWaalsContact CZ-CE 3.41Å; F827-M843 HydrophobicContact CZ-CG 4.38Å; F827-M843 HydrophobicContact CZ-SD 3.8Å; F827-A845 HydrophobicContact CD1-CB 4.23Å; F827-A845 HydrophobicContact CD2-CB 4.11Å; F827-A845 WeakPolarHBondContact CD2-O 3.18Å; F827-A845 HydrophobicContact CE2-CB 4.37Å; F827-A845 HydrophobicContact CG-CB 4.04Å; F827-I927 HydrophobicContact CD1-CD1 4.26Å; F827-I927 HydrophobicContact CE1-CD1 3.92Å; F827-V941 HydrophobicContact CB-CB 4.14Å; F827-V941 WeakPolarHBondContact CB-O 3.06Å; F827-V941 PolarHBondContact N-O 3.11Å; F827-V941 PolarHBondContact O-N 3.3Å
828	N	65.6	Low	62.2	Low	66 Å²	66	61.7 Å²	61.7	35%	0.353	36%	0.355	S	S	.	.			trans	-105.6	111.2	165.3	-61.9	-55.9	0	0	0	106.6	V826 N830 T831	V826-N828 PolarHBondContact O-N 3.36Å; N828-N830 PolarHBondContact O-N 3.37Å; N828-T831 PolarHBondContact O-N 3.19Å; N828-T831 PolarHBondContact O-OG1 3.17Å
829	G	53.5	Low	61.2	Low	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-61	-12.2	-170.6	0	0	0	0	0	115.8	T831 L832	G829-T831 PolarHBondContact O-N 3.12Å; G829-L832 PolarHBondContact O-N 3.06Å
830	N	51.9	Low	60.1	Low	126 Å²	126	69.9 Å²	69.9	67%	0.674	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-58.3	-9	172	-59.6	-11.5	0	0	0	114.6	N828	N828-N830 PolarHBondContact O-N 3.37Å
831	T	48.2	Very low	59.3	Low	75 Å²	75	71.6 Å²	71.6	46%	0.46	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-92.9	-5.8	174.8	59.3	0	0	0	0	114.1	N828 G829	N828-T831 PolarHBondContact O-N 3.19Å; N828-T831 PolarHBondContact O-OG1 3.17Å; G829-T831 PolarHBondContact O-N 3.12Å
832	L	45.7	Very low	58.5	Low	49 Å²	49	74.8 Å²	74.8	26%	0.257	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-11.3	-168.6	-96	156.7	0	0	0	115.6	F827 G829 D1064 Y1065	F827-L832 HydrophobicContact CD2-CD1 4.38Å; F827-L832 HydrophobicContact CE2-CD1 3.29Å; F827-L832 HydrophobicContact CZ-CD1 3.53Å; G829-L832 PolarHBondContact O-N 3.06Å; L832-D1064 HydrophobicContact CD2-CB 4.15Å; L832-Y1065 HydrophobicContact CD1-CD1 4.45Å
833	T	40.6	Very low	57.7	Low	47 Å²	47	72.9 Å²	72.9	29%	0.288	41%	0.408	S	S	.	.	S	Bend	trans	-125.8	130.9	-179.9	46.7	0	0	0	0	112.1	T837	T833-T837 WeakPolarHBondContact CB-O 3.39Å; T833-T837 WeakPolarHBondContact CB-OG1 3.48Å; T833-T837 WeakPolarHBondContact CG2-O 3.49Å
834	P	40.2	Very low	57	Low	86 Å²	86	75.4 Å²	75.4	56%	0.558	43%	0.425	S	S	*	.			trans	-51.8	144.1	159.9	-28	35.2	0	0	0	111.6	G836 T837	P834-G836 PolarHBondContact O-N 3.31Å; P834-G836 VanDerWaalsContact O-N 3.13Å; P834-T837 HydrophobicContact CB-CG2 4.3Å; P834-T837 VanDerWaalsContact CD-OG1 3.32Å; P834-T837 WeakPolarHBondContact CD-OG1 3.28Å; P834-T837 PolarHBondContact O-N 3.46Å; P834-T837 PolarHBondContact O-OG1 3.44Å
835	P	34.4	Very low	56.6	Low	140 Å²	140	70.5 Å²	70.5	91%	0.909	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	121.1	178.7	24.3	-33.3	0	0	0	110.2
836	G	40.7	Very low	56.7	Low	67 Å²	67	70 Å²	70	69%	0.691	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.4	-6.4	-175.8	0	0	0	0	0	115.8	P834	P834-G836 PolarHBondContact O-N 3.31Å; P834-G836 VanDerWaalsContact O-N 3.13Å
837	T	48.3	Very low	56.6	Low	72 Å²	72	69.9 Å²	69.9	44%	0.442	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-96.9	118.2	173.6	58.9	0	0	0	0	112.3	T833 P834	T833-T837 WeakPolarHBondContact CB-O 3.39Å; T833-T837 WeakPolarHBondContact CB-OG1 3.48Å; T833-T837 WeakPolarHBondContact CG2-O 3.49Å; P834-T837 HydrophobicContact CB-CG2 4.3Å; P834-T837 VanDerWaalsContact CD-OG1 3.32Å; P834-T837 WeakPolarHBondContact CD-OG1 3.28Å; P834-T837 PolarHBondContact O-N 3.46Å; P834-T837 PolarHBondContact O-OG1 3.44Å
838	Y	50.6	Low	57.1	Low	157 Å²	157	69.2 Å²	69.2	62%	0.616	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-85.9	131.9	177.2	-57.3	-87.9	0	0	0	110.9
839	P	51.9	Low	57.7	Low	33 Å²	33	66.3 Å²	66.3	21%	0.214	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-67.8	135	176.3	29.8	-35.3	0	0	0	110.5	V929 L938	P839-V929 HydrophobicContact CB-CG2 4.45Å; P839-V929 HydrophobicContact CG-CG2 4.35Å; P839-L938 HydrophobicContact CB-CD1 4.49Å; P839-L938 HydrophobicContact CG-CD1 4.01Å; P839-L938 HydrophobicContact CG-CD2 3.77Å; P839-L938 HydrophobicContact CG-CG 3.91Å
840	R	54.4	Low	58.8	Low	209 Å²	209	72.6 Å²	72.6	79%	0.789	40%	0.401	S	S	*	.			trans	-119.8	131.7	174.8	-74.4	-175.8	170.6	179.7	-1.8	110.7
841	G	61	Low	60	Low	40 Å²	40	67.5 Å²	67.5	41%	0.412	38%	0.378	S	S	.	.	S	Bend	trans	93.1	-128.1	172	0	0	0	0	0	114.2	V929	G841-V929 PolarHBondContact O-N 3.06Å
842	L	64.7	Low	61.7	Low	105 Å²	105	64 Å²	64	55%	0.55	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.5	-174.7	-63.6	-172.8	0	0	0	110.5	L878 F880 V926 R928	L842-L878 HydrophobicContact CD2-CD1 3.76Å; L842-F880 HydrophobicContact CD1-CZ 4.4Å; L842-V926 HydrophobicContact CB-CG1 3.77Å; L842-V926 HydrophobicContact CD2-CG1 4.24Å; L842-V926 HydrophobicContact CG-CG1 4.43Å; L842-R928 HydrophobicContact CD2-CB 3.56Å; L842-R928 HydrophobicContact CD2-CG 3.75Å
843	M	65.3	Low	63.5	Low	31 Å²	31	61.7 Å²	61.7	15%	0.153	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	115.3	-176	-177.4	-175.8	65.6	0	0	110.8	F827 A845 V926 I927 L938	F827-M843 HydrophobicContact CE1-CE 3.56Å; F827-M843 HydrophobicContact CE1-SD 4.47Å; F827-M843 HydrophobicContact CZ-CE 3.41Å; F827-M843 VanDerWaalsContact CZ-CE 3.41Å; F827-M843 HydrophobicContact CZ-CG 4.38Å; F827-M843 HydrophobicContact CZ-SD 3.8Å; M843-A845 PolarHBondContact O-N 3.19Å; M843-V926 CarbonylContact O-C 3.43Å; M843-V926 WeakPolarHBondContact O-CA 3.26Å; M843-I927 HydrophobicContact CE-CB 4.04Å; M843-I927 HydrophobicContact CE-CD1 3.59Å; M843-I927 HydrophobicContact CE-CG1 4.4Å; M843-I927 HydrophobicContact CE-CG2 4.37Å; M843-I927 PolarHBondContact N-O 2.94Å; M843-I927 PolarHBondContact O-N 2.86Å; M843-L938 HydrophobicContact CE-CD1 3.82Å; M843-L938 HydrophobicContact CE-CD2 3.45Å; M843-L938 VanDerWaalsContact CE-CD2 3.45Å; M843-L938 HydrophobicContact CE-CG 4.25Å; M843-L938 HydrophobicContact SD-CD1 3.83Å; M843-L938 HydrophobicContact SD-CD2 4.33Å
844	T	66.9	Low	65.5	Low	68 Å²	68	61.9 Å²	61.9	42%	0.417	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	114.7	178.5	-51.6	0	0	0	0	110.7	V926	T844-V926 HydrophobicContact CG2-CG2 4.49Å
845	A	73.7	Confident	67.7	Low	11 Å²	11	57.9 Å²	57.9	9%	0.091	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-39.7	178.6	0	0	0	0	0	112	F827 M843 I925 I927	F827-A845 HydrophobicContact CD1-CB 4.23Å; F827-A845 HydrophobicContact CD2-CB 4.11Å; F827-A845 WeakPolarHBondContact CD2-O 3.18Å; F827-A845 HydrophobicContact CE2-CB 4.37Å; F827-A845 HydrophobicContact CG-CB 4.04Å; M843-A845 PolarHBondContact O-N 3.19Å; A845-I925 PolarHBondContact N-O 3.05Å; A845-I927 HydrophobicContact CB-CD1 4.01Å; A845-I927 HydrophobicContact CB-CG1 4.19Å
846	V	79.1	Confident	70.3	Confident	7 Å²	7	54.6 Å²	54.6	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	139.2	-178.8	-163.2	0	0	0	0	109.6	I848 V857 I925 V941 Y943	V846-I848 HydrophobicContact CG1-CG1 4Å; V846-V857 HydrophobicContact CG2-CG1 4.33Å; V846-I925 HydrophobicContact CB-CB 4.12Å; V846-I925 HydrophobicContact CB-CG1 4.33Å; V846-I925 PolarHBondContact N-O 3.16Å; V846-I925 PolarHBondContact O-N 2.69Å; V846-V941 HydrophobicContact CG2-CG1 4.43Å; V846-Y943 HydrophobicContact CB-CD1 4.32Å; V846-Y943 HydrophobicContact CB-CG 4.47Å; V846-Y943 HydrophobicContact CG1-CD1 3.92Å; V846-Y943 HydrophobicContact CG1-CD2 3.78Å; V846-Y943 HydrophobicContact CG1-CE1 4.17Å; V846-Y943 HydrophobicContact CG1-CE2 4.05Å; V846-Y943 HydrophobicContact CG1-CG 3.7Å; V846-Y943 HydrophobicContact CG2-CD1 3.39Å; V846-Y943 HydrophobicContact CG2-CE1 3.9Å; V846-Y943 HydrophobicContact CG2-CG 3.84Å
847	R	78	Confident	72.6	Confident	63 Å²	63	51.4 Å²	51.4	24%	0.238	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.6	163.8	175.7	167.8	165.5	-142.2	-17.2	108.3	D922 N924 R1060 P1061	R847-D922 IonicContact CZ-OD2 3.77Å; R847-D922 VanDerWaalsContact CZ-OD2 3.27Å; R847-D922 IonicContact NE-OD2 3.33Å; R847-D922 PolarHBondContact NE-OD2 3.45Å; R847-D922 IonicContact NH2-OD2 3.67Å; R847-D922 PolarHBondContact NH2-OD2 2.89Å; R847-N924 WeakPolarHBondContact CD-OD1 3.33Å; R847-N924 WeakPolarHBondContact CG-OD1 3.27Å; R847-R1060 VanDerWaalsContact NH2-CD 3.26Å; R847-P1061 PolarHBondContact NH1-O 2.94Å; R847-P1061 VanDerWaalsContact NH1-O 3.09Å
848	I	83.4	Confident	74.5	Confident	1 Å²	1	51 Å²	51	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.3	-176	-57.8	169.7	0	0	0	106.6	V846 V852 A855 V857 I915 L919 V923 I925	V846-I848 HydrophobicContact CG1-CG1 4Å; I848-V852 HydrophobicContact CG2-CG2 3.51Å; I848-A855 HydrophobicContact CD1-CB 4.23Å; I848-A855 HydrophobicContact CG2-CB 3.7Å; I848-V857 HydrophobicContact CD1-CG2 3.93Å; I848-I915 HydrophobicContact CD1-CD1 4.48Å; I848-L919 HydrophobicContact CB-CD1 4.48Å; I848-L919 HydrophobicContact CG2-CD1 3.57Å; I848-V923 HydrophobicContact CB-CB 4.29Å; I848-V923 PolarHBondContact N-O 2.85Å; I848-V923 PolarHBondContact O-N 3.17Å; I848-I925 HydrophobicContact CD1-CD1 4.18Å; I848-I925 HydrophobicContact CD1-CG1 3.75Å; I848-I925 HydrophobicContact CG1-CG1 4.44Å
849	P	78.4	Confident	76.2	Confident	6 Å²	6	43.5 Å²	43.5	4%	0.039	22%	0.217	C	C	.	.			trans	-71.7	155.4	-172.4	17.2	-20.9	0	0	0	113.7	V852 Y945 Y957	P849-V852 HydrophobicContact CB-CG1 4.39Å; P849-V852 HydrophobicContact CG-CG1 3.66Å; P849-V852 WeakPolarHBondContact O-CG2 3.39Å; P849-Y945 HydrophobicContact CG-CE2 4.23Å; P849-Y957 HydrophobicContact CB-CE1 4.35Å; P849-Y957 HydrophobicContact CB-CE2 3.92Å; P849-Y957 WeakPolarHBondContact CB-OH 3.27Å; P849-Y957 HydrophobicContact CG-CE1 3.83Å; P849-Y957 HydrophobicContact CG-CE2 4.3Å; P849-Y957 WeakPolarHBondContact CG-OH 3.41Å
850	K	77.4	Confident	77.4	Confident	132 Å²	132	43.2 Å²	43.2	57%	0.574	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	143.3	160.8	174.8	174.4	-179	172.7	0	111	N920 D922	K850-N920 WeakPolarHBondContact CD-O 3.44Å; K850-N920 WeakPolarHBondContact CE-O 3.43Å; K850-N920 WeakPolarHBondContact CG-O 3.02Å; K850-D922 PolarHBondContact N-OD1 2.78Å
851	G	76.3	Confident	78.1	Confident	18 Å²	18	33.3 Å²	33.3	19%	0.186	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	-14.9	172.9	0	0	0	0	0	114.7	R918 L919	G851-R918 WeakPolarHBondContact O-CG 3.27Å; G851-R918 PolarHBondContact O-NH1 2.97Å; G851-L919 WeakPolarHBondContact CA-O 2.89Å; G851-L919 PolarHBondContact N-O 2.88Å
852	V	84.2	Confident	78.2	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.006	18%	0.179	C	C	.	.			trans	-75.4	166	177.1	-47.7	0	0	0	0	112.3	I848 P849 A855 R918 L919 Y945 F946 I947	I848-V852 HydrophobicContact CG2-CG2 3.51Å; P849-V852 HydrophobicContact CB-CG1 4.39Å; P849-V852 HydrophobicContact CG-CG1 3.66Å; P849-V852 WeakPolarHBondContact O-CG2 3.39Å; V852-A855 HydrophobicContact CG2-CB 4.33Å; V852-R918 CarbonylContact O-C 3.52Å; V852-R918 WeakPolarHBondContact O-CA 3.11Å; V852-L919 HydrophobicContact CG2-CD1 3.99Å; V852-L919 PolarHBondContact O-N 2.03Å; V852-Y945 HydrophobicContact CB-CD2 3.95Å; V852-Y945 HydrophobicContact CG1-CD2 3.7Å; V852-Y945 HydrophobicContact CG1-CE2 3.95Å; V852-Y945 HydrophobicContact CG2-CD2 4.15Å; V852-Y945 HydrophobicContact CG2-CG 4.42Å; V852-F946 CarbonylContact C-O 3.58Å; V852-F946 VanDerWaalsContact CA-O 3.27Å; V852-F946 WeakPolarHBondContact CA-O 3.44Å; V852-F946 WeakPolarHBondContact CB-O 3.49Å; V852-I947 HydrophobicContact CG1-CB 3.93Å; V852-I947 HydrophobicContact CG1-CD1 4.23Å; V852-I947 HydrophobicContact CG1-CG1 4.06Å
853	T	84.1	Confident	78	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.4	-173.2	39.2	0	0	0	0	111.5	R809 C810 R811 A855 G917 R918 F946	R809-T853 WeakPolarHBondContact O-CB 3.39Å; R809-T853 PolarHBondContact O-OG1 3.27Å; R809-T853 VanDerWaalsContact O-OG1 3.05Å; C810-T853 WeakPolarHBondContact CA-OG1 3.31Å; R811-T853 HydrophobicContact CB-CG2 3.56Å; T853-A855 PolarHBondContact O-N 3.19Å; T853-G917 WeakPolarHBondContact CA-O 3.45Å; T853-R918 HydrophobicContact CG2-CB 3.6Å; T853-R918 HydrophobicContact CG2-CG 3.78Å; T853-F946 PolarHBondContact N-O 2.85Å; T853-F946 WeakPolarHBondContact O-CB 3.26Å; T853-F946 PolarHBondContact O-N 2.88Å; T853-F946 WeakPolarHBondContact OG1-CB 3.32Å; T853-F946 PolarHBondContact OG1-O 2.62Å
854	N	82.7	Confident	77.3	Confident	51 Å²	51	37.3 Å²	37.3	27%	0.273	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	42.5	56.3	176.2	-69.2	0.9	0	0	0	113.7	F856 I915 G917 F946	N854-F856 PolarHBondContact O-N 3.3Å; N854-I915 CarbonylContact C-O 3.54Å; N854-I915 VanDerWaalsContact CA-O 3.26Å; N854-I915 WeakPolarHBondContact CA-O 3.19Å; N854-G917 PolarHBondContact N-O 2.63Å; N854-G917 PolarHBondContact OD1-N 3.07Å; N854-F946 HydrophobicContact CB-CD2 4.02Å
855	A	86	Confident	76.4	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	115	-177.6	0	0	0	0	0	110.8	I848 V852 T853 I915	I848-A855 HydrophobicContact CD1-CB 4.23Å; I848-A855 HydrophobicContact CG2-CB 3.7Å; V852-A855 HydrophobicContact CG2-CB 4.33Å; T853-A855 PolarHBondContact O-N 3.19Å; A855-I915 HydrophobicContact CB-CB 4.28Å; A855-I915 PolarHBondContact N-O 3.07Å; A855-I915 PolarHBondContact O-N 3.1Å
856	F	88.7	Confident	74.9	Confident	71 Å²	71	42.9 Å²	42.9	31%	0.311	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.8	-177.2	178.3	-90.7	0	0	0	110.3	N854 R858 I912 V913 Y943 S944	N854-F856 PolarHBondContact O-N 3.3Å; F856-R858 HydrophobicContact CE1-CB 3.8Å; F856-R858 HydrophobicContact CZ-CB 4.19Å; F856-I912 HydrophobicContact CD2-CG2 4.22Å; F856-I912 HydrophobicContact CE2-CG2 3.5Å; F856-I912 VanDerWaalsContact CE2-CG2 3.5Å; F856-I912 HydrophobicContact CZ-CG2 4.03Å; F856-V913 CarbonylContact C-O 3.42Å; F856-V913 WeakPolarHBondContact CA-O 3.29Å; F856-Y943 CarbonylContact O-C 3.53Å; F856-Y943 VanDerWaalsContact O-CA 3.29Å; F856-Y943 WeakPolarHBondContact O-CA 3.32Å; F856-S944 PolarHBondContact N-O 2.89Å; F856-S944 PolarHBondContact O-N 3.03Å
857	V	89.1	Confident	73.4	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.9	177.3	-170	0	0	0	0	109.1	V846 I848 I912 V913 I925 V941 E942	V846-V857 HydrophobicContact CG2-CG1 4.33Å; I848-V857 HydrophobicContact CD1-CG2 3.93Å; V857-I912 CarbonylContact O-C 3.34Å; V857-I912 WeakPolarHBondContact O-CA 3.4Å; V857-V913 HydrophobicContact CB-CB 4.1Å; V857-V913 PolarHBondContact N-O 2.79Å; V857-V913 PolarHBondContact O-N 2.95Å; V857-I925 HydrophobicContact CG1-CG2 4.38Å; V857-I925 HydrophobicContact CG2-CG1 4.28Å; V857-V941 HydrophobicContact CG1-CG1 3.31Å; V857-E942 CarbonylContact C-O 3.39Å; V857-E942 VanDerWaalsContact CA-O 3.27Å; V857-E942 WeakPolarHBondContact CA-O 3Å; V857-E942 WeakPolarHBondContact CG1-O 3.45Å
858	R	89.1	Confident	71.6	Confident	63 Å²	63	44.1 Å²	44.1	24%	0.238	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	104.7	-177.4	-172.7	175.1	83.7	118.7	5.4	110.2	F856 V860 E910 E911 I912 V941 E942	F856-R858 HydrophobicContact CE1-CB 3.8Å; F856-R858 HydrophobicContact CZ-CB 4.19Å; R858-V860 HydrophobicContact CG-CG2 4.15Å; R858-E910 WeakPolarHBondContact CD-OE2 3.37Å; R858-E910 HydrophobicContact CG-CB 4.44Å; R858-E910 IonicContact CZ-OE1 3.75Å; R858-E910 IonicContact CZ-OE2 3.63Å; R858-E910 IonicContact NE-OE2 2.65Å; R858-E910 IonicContact NH1-OE1 3.12Å; R858-E910 PolarHBondContact NH1-OE1 2.76Å; R858-E910 IonicContact NH1-OE2 3.48Å; R858-E910 PolarHBondContact NH1-OE2 2.97Å; R858-E911 WeakPolarHBondContact CA-O 3.41Å; R858-I912 HydrophobicContact CG-CG1 4.25Å; R858-V941 WeakPolarHBondContact O-CA 3.31Å; R858-E942 IonicContact CZ-OE2 2.95Å; R858-E942 VanDerWaalsContact CZ-OE2 3.23Å; R858-E942 PolarHBondContact N-O 3.08Å; R858-E942 IonicContact NE-OE2 2.76Å; R858-E942 PolarHBondContact NE-OE2 2.97Å; R858-E942 IonicContact NH2-OE1 2.83Å; R858-E942 IonicContact NH2-OE2 3.17Å; R858-E942 PolarHBondContact NH2-OE2 3.22Å; R858-E942 PolarHBondContact O-N 2.97Å
859	K	86	Confident	69.5	Low	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	114.5	167.2	168.4	-177.6	169.2	-87.6	0	108.3	S861 D873 F875 L877 E910 E911 P939 R940 V941	K859-S861 PolarHBondContact NZ-OG 3.23Å; K859-D873 IonicContact NZ-OD2 2.88Å; K859-D873 PolarHBondContact NZ-OD2 3.15Å; K859-F875 WeakPolarHBondContact CE-O 3.21Å; K859-F875 PolarHBondContact NZ-O 3.01Å; K859-L877 HydrophobicContact CB-CD1 3.85Å; K859-L877 HydrophobicContact CB-CD2 4.25Å; K859-L877 HydrophobicContact CB-CG 4.05Å; K859-L877 HydrophobicContact CD-CD2 4.11Å; K859-L877 HydrophobicContact CD-CG 3.92Å; K859-E910 CarbonylContact O-C 3.49Å; K859-E910 VanDerWaalsContact O-CA 3.25Å; K859-E910 WeakPolarHBondContact O-CA 3.22Å; K859-E911 HydrophobicContact CB-CB 4.1Å; K859-E911 HydrophobicContact CD-CB 4.38Å; K859-E911 HydrophobicContact CD-CG 4.1Å; K859-E911 PolarHBondContact N-O 2.77Å; K859-E911 IonicContact NZ-OE1 2.91Å; K859-E911 PolarHBondContact NZ-OE1 2.71Å; K859-E911 PolarHBondContact O-N 3.06Å; K859-P939 HydrophobicContact CD-CB 4.4Å; K859-P939 HydrophobicContact CD-CG 4.11Å; K859-P939 HydrophobicContact CG-CB 3.96Å; K859-P939 HydrophobicContact CG-CG 4.12Å; K859-R940 CarbonylContact C-O 3.56Å; K859-R940 WeakPolarHBondContact CA-O 3Å; K859-V941 HydrophobicContact CB-CG2 3.86Å; K859-V941 HydrophobicContact CG-CG2 4.12Å
860	V	78	Confident	67.6	Low	27 Å²	27	54.7 Å²	54.7	16%	0.164	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.2	169.3	-174	0	0	0	0	108.6	R858 E910 R940	R858-V860 HydrophobicContact CG-CG2 4.15Å; V860-E910 HydrophobicContact CG1-CG 4.49Å; V860-E910 HydrophobicContact CG2-CG 4.23Å; V860-R940 PolarHBondContact N-O 2.95Å; V860-R940 PolarHBondContact O-N 3.03Å
861	S	67.7	Low	66.3	Low	1 Å²	1	50.1 Å²	50.1	1%	0.007	28%	0.283	C	S	.	.			trans	-94.9	134.7	-177.3	-38.7	0	0	0	0	110.2	K859 R863 D873 R909	K859-S861 PolarHBondContact NZ-OG 3.23Å; S861-R863 PolarHBondContact O-N 3.02Å; S861-D873 PolarHBondContact OG-OD2 3.02Å; S861-R909 WeakPolarHBondContact CB-O 3.48Å; S861-R909 PolarHBondContact N-O 2.84Å; S861-R909 PolarHBondContact O-NE 3.2Å; S861-R909 PolarHBondContact O-NH2 3.2Å; S861-R909 PolarHBondContact OG-O 2.95Å
862	D	64.3	Low	65.3	Low	82 Å²	82	54 Å²	54	44%	0.439	29%	0.292	S	S	.	.			trans	-71.5	-14.5	179.5	-72.8	-33.7	0	0	0	112.8	N864 R909 S937	D862-N864 PolarHBondContact O-N 2.93Å; D862-N864 VanDerWaalsContact O-N 3.15Å; D862-R909 PolarHBondContact O-NH2 2.04Å; D862-S937 WeakPolarHBondContact OD2-CB 3.45Å; D862-S937 PolarHBondContact OD2-OG 3.46Å
863	R	59	Low	64.4	Low	44 Å²	44	54 Å²	54	17%	0.166	29%	0.292	C	S	.	.			trans	-51.4	114.6	179.5	-143.9	-174.6	-156.2	171.8	18.5	112.1	S861 T865 Y872 D874	S861-R863 PolarHBondContact O-N 3.02Å; R863-T865 WeakPolarHBondContact CG-OG1 3.4Å; R863-Y872 PolarHBondContact NH1-O 3.01Å; R863-Y872 PolarHBondContact NH2-O 3.38Å; R863-D874 IonicContact NH2-OD1 2.64Å
864	N	51.6	Low	63.8	Low	134 Å²	134	54.7 Å²	54.7	72%	0.717	30%	0.296	S	S	*	.			trans	-94.8	-2.5	176.6	-77.3	-28	0	0	0	113.5	D862 R909	D862-N864 PolarHBondContact O-N 2.93Å; D862-N864 VanDerWaalsContact O-N 3.15Å; N864-R909 PolarHBondContact OD1-NH1 2.79Å; N864-R909 PolarHBondContact OD1-NH2 2.98Å
865	T	46.9	Very low	63.4	Low	89 Å²	89	52.5 Å²	52.5	55%	0.546	28%	0.284	S	S	.	.	S	Bend	trans	-89.6	135.7	176.2	54.6	0	0	0	0	111	R863	R863-T865 WeakPolarHBondContact CG-OG1 3.4Å
866	P	43.5	Very low	63	Low	107 Å²	107	52.6 Å²	52.6	70%	0.695	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-58	152.7	172.8	-24	34.5	0	0	0	113	S868	P866-S868 PolarHBondContact O-N 2.99Å
867	Y	48	Very low	62.7	Low	49 Å²	49	49.2 Å²	49.2	19%	0.192	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-70.7	125	175.3	-71.2	-100.9	0	0	0	110.4	S871 S906 R907 S908 R909	Y867-S871 WeakPolarHBondContact CD1-O 3.09Å; Y867-S906 WeakPolarHBondContact CE1-O 3.19Å; Y867-R907 WeakPolarHBondContact CD1-O 3.43Å; Y867-R907 WeakPolarHBondContact CD2-O 3.48Å; Y867-S908 PolarHBondContact OH-O 2.96Å; Y867-R909 PolarHBondContact OH-N 3.01Å
868	S	38.7	Very low	62.1	Low	47 Å²	47	49.8 Å²	49.8	33%	0.329	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-78.7	167.1	158.4	87.2	0	0	0	0	109.6	P866 D870 S871	P866-S868 PolarHBondContact O-N 2.99Å; S868-D870 PolarHBondContact O-N 3.47Å; S868-D870 VanDerWaalsContact O-N 3.09Å; S868-D870 PolarHBondContact OG-N 2.85Å; S868-S871 PolarHBondContact N-OG 3.47Å; S868-S871 PolarHBondContact O-N 3.25Å; S868-S871 WeakPolarHBondContact OG-CB 3.27Å; S868-S871 PolarHBondContact OG-N 3.5Å; S868-S871 PolarHBondContact OG-OG 2.92Å
869	S	40.3	Very low	61.7	Low	101 Å²	101	47 Å²	47	71%	0.706	26%	0.262	S	S	*	.	S	Bend	trans	-57.7	-23.7	178.1	51.2	0	0	0	0	114
870	D	38.7	Very low	61	Low	127 Å²	127	48.1 Å²	48.1	68%	0.679	27%	0.267	S	S	*	.	S	Bend	trans	-114	-15.7	-167.1	-57.1	8.4	0	0	0	111.5	S868 Y872	S868-D870 PolarHBondContact O-N 3.47Å; S868-D870 VanDerWaalsContact O-N 3.09Å; S868-D870 PolarHBondContact OG-N 2.85Å; D870-Y872 PolarHBondContact O-N 3.11Å
871	S	49.2	Very low	60.3	Low	37 Å²	37	48.7 Å²	48.7	26%	0.259	27%	0.268	S	S	.	.			trans	-91.5	89.7	-176.5	70.1	0	0	0	0	112.5	Y867 S868	Y867-S871 WeakPolarHBondContact CD1-O 3.09Å; S868-S871 PolarHBondContact N-OG 3.47Å; S868-S871 PolarHBondContact O-N 3.25Å; S868-S871 WeakPolarHBondContact OG-CB 3.27Å; S868-S871 PolarHBondContact OG-N 3.5Å; S868-S871 PolarHBondContact OG-OG 2.92Å
872	Y	56	Low	59.6	Low	98 Å²	98	52.8 Å²	52.8	38%	0.384	29%	0.287	S	S	.	.			trans	-57.6	159	160.9	-60.3	-86.7	0	0	0	110.6	R863 D870 M876	R863-Y872 PolarHBondContact NH1-O 3.01Å; R863-Y872 PolarHBondContact NH2-O 3.38Å; D870-Y872 PolarHBondContact O-N 3.11Å; Y872-M876 HydrophobicContact CD1-CE 4.27Å
873	D	65.7	Low	58.7	Low	2 Å²	2	54.1 Å²	54.1	1%	0.011	29%	0.294	C	S	.	.			trans	-69	152.8	167.5	-169.8	37.9	0	0	0	110.9	K859 S861 F875	K859-D873 IonicContact NZ-OD2 2.88Å; K859-D873 PolarHBondContact NZ-OD2 3.15Å; S861-D873 PolarHBondContact OG-OD2 3.02Å; D873-F875 PolarHBondContact O-N 2.77Å; D873-F875 VanDerWaalsContact O-N 3.12Å
874	D	70.2	Confident	58.1	Low	17 Å²	17	54.4 Å²	54.4	9%	0.091	30%	0.296	C	S	.	.	S	Bend	trans	-64.1	-18.8	-178.6	-72.4	-23.3	0	0	0	112.3	R863 V929 E930 N931 T934 Q936	R863-D874 IonicContact NH2-OD1 2.64Å; D874-V929 CarbonylContact O-C 3.5Å; D874-E930 PolarHBondContact O-N 3.05Å; D874-N931 HydrophobicContact CB-CB 3.95Å; D874-N931 WeakPolarHBondContact OD1-CB 3.47Å; D874-N931 PolarHBondContact OD1-ND2 2.75Å; D874-T934 HydrophobicContact CB-CG2 4.17Å; D874-T934 VanDerWaalsContact OD2-CB 3.26Å; D874-T934 WeakPolarHBondContact OD2-CB 3.36Å; D874-T934 PolarHBondContact OD2-OG1 3.2Å; D874-Q936 PolarHBondContact OD2-NE2 3.43Å
875	F	75.8	Confident	57.5	Low	4 Å²	4	53.4 Å²	53.4	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.3	178.7	-51.9	-72.6	0	0	0	109.8	K859 D873 I927 R928 V929 T934 Q936 S937 L938 P939	K859-F875 WeakPolarHBondContact CE-O 3.21Å; K859-F875 PolarHBondContact NZ-O 3.01Å; D873-F875 PolarHBondContact O-N 2.77Å; D873-F875 VanDerWaalsContact O-N 3.12Å; F875-I927 HydrophobicContact CB-CG2 3.88Å; F875-I927 HydrophobicContact CD1-CG2 3.98Å; F875-I927 HydrophobicContact CG-CG2 4.35Å; F875-R928 CarbonylContact C-O 3.52Å; F875-R928 WeakPolarHBondContact CA-O 3.49Å; F875-V929 HydrophobicContact CD1-CG2 4.08Å; F875-V929 HydrophobicContact CE1-CG1 4.42Å; F875-V929 HydrophobicContact CE1-CG2 4.14Å; F875-T934 HydrophobicContact CE1-CG2 3.94Å; F875-T934 HydrophobicContact CE2-CG2 4.46Å; F875-T934 HydrophobicContact CZ-CG2 3.67Å; F875-Q936 HydrophobicContact CE2-CB 3.85Å; F875-Q936 HydrophobicContact CZ-CB 4.41Å; F875-S937 WeakPolarHBondContact CE2-O 3.19Å; F875-L938 HydrophobicContact CD1-CD2 4.09Å; F875-L938 HydrophobicContact CE1-CD2 3.72Å; F875-L938 HydrophobicContact CZ-CD2 4.29Å; F875-P939 HydrophobicContact CB-CG 3.83Å; F875-P939 HydrophobicContact CD2-CG 3.99Å; F875-P939 HydrophobicContact CG-CG 3.93Å
876	M	76.3	Confident	57.6	Low	3 Å²	3	55.1 Å²	55.1	2%	0.015	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137	178.9	177.9	-175.2	-54.1	0	0	110.5	Y872 L878 I927 R928 E930	Y872-M876 HydrophobicContact CD1-CE 4.27Å; M876-L878 HydrophobicContact CG-CD2 4.48Å; M876-L878 HydrophobicContact SD-CD2 4.13Å; M876-I927 WeakPolarHBondContact O-CA 3.24Å; M876-R928 PolarHBondContact N-O 2.86Å; M876-R928 PolarHBondContact O-N 3.23Å; M876-E930 HydrophobicContact CB-CG 4.15Å; M876-E930 HydrophobicContact CE-CG 3.98Å; M876-E930 VanDerWaalsContact CE-OE1 3.26Å; M876-E930 WeakPolarHBondContact CE-OE1 3.02Å
877	L	81.8	Confident	58.1	Low	1 Å²	1	54.5 Å²	54.5	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.9	168.4	-66.3	-174.9	0	0	0	111.7	K859 Y903 E911 V913 I925 I927 V941	K859-L877 HydrophobicContact CB-CD1 3.85Å; K859-L877 HydrophobicContact CB-CD2 4.25Å; K859-L877 HydrophobicContact CB-CG 4.05Å; K859-L877 HydrophobicContact CD-CD2 4.11Å; K859-L877 HydrophobicContact CD-CG 3.92Å; L877-Y903 HydrophobicContact CB-CE2 4.13Å; L877-Y903 PolarHBondContact O-OH 2.87Å; L877-E911 WeakPolarHBondContact CB-OE2 3.49Å; L877-E911 HydrophobicContact CD1-CB 3.98Å; L877-E911 HydrophobicContact CG-CB 4.29Å; L877-E911 WeakPolarHBondContact CG-OE2 3.35Å; L877-E911 PolarHBondContact N-OE2 3.14Å; L877-V913 HydrophobicContact CD1-CG2 3.78Å; L877-I925 HydrophobicContact CD2-CG2 3.96Å; L877-I927 HydrophobicContact CD2-CG1 3.99Å; L877-V941 HydrophobicContact CD2-CG2 4.5Å
878	L	77.3	Confident	58.8	Low	12 Å²	12	53.1 Å²	53.1	6%	0.063	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.7	165.2	-59	-173.6	0	0	0	109.8	L842 M876 F880 I887 V926 R928	L842-L878 HydrophobicContact CD2-CD1 3.76Å; M876-L878 HydrophobicContact CG-CD2 4.48Å; M876-L878 HydrophobicContact SD-CD2 4.13Å; L878-F880 HydrophobicContact CB-CD2 4.16Å; L878-F880 HydrophobicContact CB-CE2 3.52Å; L878-F880 HydrophobicContact CB-CZ 4.09Å; L878-F880 HydrophobicContact CD1-CE2 3.95Å; L878-F880 HydrophobicContact CD1-CZ 3.83Å; L878-F880 HydrophobicContact CG-CE2 4.42Å; L878-I887 HydrophobicContact CD2-CG2 4.1Å; L878-V926 HydrophobicContact CB-CB 4.38Å; L878-V926 PolarHBondContact N-O 3.4Å; L878-V926 PolarHBondContact O-N 3.18Å; L878-R928 HydrophobicContact CD1-CB 3.9Å; L878-R928 HydrophobicContact CG-CB 3.99Å
879	I	81	Confident	59.7	Low	5 Å²	5	57.4 Å²	57.4	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	101.5	-169.1	-51.9	167.3	0	0	0	108	R888 F896 L901 Y903 V913 V923 I925	I879-R888 PolarHBondContact O-NH1 2.9Å; I879-F896 HydrophobicContact CG2-CE1 3.78Å; I879-F896 HydrophobicContact CG2-CE2 4.45Å; I879-F896 HydrophobicContact CG2-CZ 3.66Å; I879-L901 HydrophobicContact CD1-CD1 4.02Å; I879-L901 HydrophobicContact CD1-CD2 4.27Å; I879-L901 HydrophobicContact CG2-CD1 4.4Å; I879-L901 HydrophobicContact CG2-CD2 4.1Å; I879-Y903 HydrophobicContact CD1-CD1 3.89Å; I879-Y903 HydrophobicContact CD1-CD2 3.82Å; I879-Y903 HydrophobicContact CD1-CE1 4.35Å; I879-Y903 HydrophobicContact CD1-CE2 4.31Å; I879-Y903 HydrophobicContact CD1-CG 3.58Å; I879-V913 HydrophobicContact CD1-CB 4.43Å; I879-V913 HydrophobicContact CD1-CG1 3.89Å; I879-V913 HydrophobicContact CD1-CG2 3.69Å; I879-V913 HydrophobicContact CG1-CG1 4.47Å; I879-V913 HydrophobicContact CG1-CG2 4.16Å; I879-V923 HydrophobicContact CG2-CG1 4.04Å; I879-I925 HydrophobicContact CB-CD1 4.43Å; I879-I925 HydrophobicContact CG1-CD1 4.19Å; I879-I925 HydrophobicContact CG2-CD1 3.95Å
880	F	71.2	Confident	60.6	Low	24 Å²	24	53.8 Å²	53.8	11%	0.105	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.8	-172.6	-66.4	-87.1	0	0	0	111.8	L842 L878 K884 T885 V923 N924 V926	L842-F880 HydrophobicContact CD1-CZ 4.4Å; L878-F880 HydrophobicContact CB-CD2 4.16Å; L878-F880 HydrophobicContact CB-CE2 3.52Å; L878-F880 HydrophobicContact CB-CZ 4.09Å; L878-F880 HydrophobicContact CD1-CE2 3.95Å; L878-F880 HydrophobicContact CD1-CZ 3.83Å; L878-F880 HydrophobicContact CG-CE2 4.42Å; F880-K884 WeakPolarHBondContact CD1-O 3.08Å; F880-T885 HydrophobicContact CE1-CG2 4.1Å; F880-V923 WeakPolarHBondContact O-CA 2.8Å; F880-N924 HydrophobicContact CB-CB 4.35Å; F880-N924 PolarHBondContact N-O 3.36Å; F880-N924 PolarHBondContact O-N 3Å; F880-V926 HydrophobicContact CD2-CB 4.05Å; F880-V926 HydrophobicContact CD2-CG2 3.7Å; F880-V926 HydrophobicContact CE2-CB 3.82Å; F880-V926 HydrophobicContact CE2-CG1 4.16Å; F880-V926 HydrophobicContact CE2-CG2 3.86Å
881	E	63.5	Low	62	Low	39 Å²	39	54 Å²	54	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	115.3	156.2	178	-168.4	125	0	0	107.4	L883 K884 F896 A897 K921	E881-L883 PolarHBondContact O-N 3.26Å; E881-K884 WeakPolarHBondContact O-CB 3.22Å; E881-K884 PolarHBondContact O-N 2.9Å; E881-K884 IonicContact OE1-NZ 3.21Å; E881-F896 HydrophobicContact CB-CD2 4.5Å; E881-F896 HydrophobicContact CB-CE2 3.65Å; E881-F896 HydrophobicContact CB-CZ 3.95Å; E881-A897 HydrophobicContact CG-CB 4.21Å; E881-A897 WeakPolarHBondContact OE2-CA 3.42Å; E881-A897 PolarHBondContact OE2-N 2.85Å; E881-K921 VanDerWaalsContact CD-CD 3.46Å; E881-K921 HydrophobicContact CG-CB 4.46Å; E881-K921 HydrophobicContact CG-CD 3.61Å; E881-K921 WeakPolarHBondContact OE1-CD 3.4Å; E881-K921 IonicContact OE1-NZ 2.65Å; E881-K921 PolarHBondContact OE1-NZ 2.82Å
882	E	53.6	Low	62.6	Low	87 Å²	87	54 Å²	54	41%	0.407	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	41.7	170.3	-60.8	171.9	167.5	0	0	114.2	K884 K921	E882-K884 PolarHBondContact O-N 2.96Å; E882-K884 IonicContact OE2-NZ 3.77Å; E882-K921 VanDerWaalsContact CD-CD 3.49Å; E882-K921 HydrophobicContact CG-CB 4.45Å; E882-K921 HydrophobicContact CG-CD 4.3Å; E882-K921 VanDerWaalsContact OE1-CD 3.25Å; E882-K921 WeakPolarHBondContact OE1-CD 3.49Å; E882-K921 WeakPolarHBondContact OE1-CE 3.33Å; E882-K921 WeakPolarHBondContact OE1-CG 3.35Å; E882-K921 IonicContact OE1-NZ 3.99Å; E882-K921 WeakPolarHBondContact OE2-CE 3.01Å; E882-K921 IonicContact OE2-NZ 3.44Å; E882-K921 PolarHBondContact OE2-NZ 2.73Å
883	L	44.7	Very low	63.1	Low	110 Å²	110	53.3 Å²	53.3	58%	0.576	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	12.2	-177.4	-56.7	172.8	0	0	0	116.4	E881 T1025	E881-L883 PolarHBondContact O-N 3.26Å; L883-T1025 HydrophobicContact CD1-CG2 4.22Å
884	K	45.4	Very low	62.9	Low	49 Å²	49	55.3 Å²	55.3	21%	0.213	27%	0.274	C	S	.	.			trans	-76.4	131.3	174.1	-68.5	166	-179.3	153.9	0	111.5	F880 E881 E882 Q886 D1136	F880-K884 WeakPolarHBondContact CD1-O 3.08Å; E881-K884 WeakPolarHBondContact O-CB 3.22Å; E881-K884 PolarHBondContact O-N 2.9Å; E881-K884 IonicContact OE1-NZ 3.21Å; E882-K884 PolarHBondContact O-N 2.96Å; E882-K884 IonicContact OE2-NZ 3.77Å; K884-Q886 PolarHBondContact O-N 3.01Å; K884-D1136 WeakPolarHBondContact CE-OD1 3.13Å; K884-D1136 IonicContact NZ-OD1 3.59Å; K884-D1136 PolarHBondContact NZ-OD1 2.86Å
885	T	40.6	Very low	62.5	Low	114 Å²	114	58 Å²	58	70%	0.699	29%	0.292	S	S	*	.			trans	-86.3	107.7	-174	49.9	0	0	0	0	112.7	F880	F880-T885 HydrophobicContact CE1-CG2 4.1Å
886	Q	48.4	Very low	62.2	Low	125 Å²	125	58.3 Å²	58.3	58%	0.584	29%	0.293	S	S	*	.			trans	-127.5	112	155.5	-74.3	-174.5	-12	0	0	108.7	K884 R888	K884-Q886 PolarHBondContact O-N 3.01Å; Q886-R888 PolarHBondContact O-N 2.84Å
887	I	54.1	Low	61.8	Low	94 Å²	94	58.5 Å²	58.5	48%	0.482	30%	0.296	S	S	.	.			trans	-86.2	92.7	-178.3	-52.5	177.7	0	0	0	108.4	L878 R889	L878-I887 HydrophobicContact CD2-CG2 4.1Å; I887-R889 HydrophobicContact CG2-CG 3.99Å
888	R	62.5	Low	60.9	Low	20 Å²	20	60 Å²	60	8%	0.075	31%	0.311	C	S	.	.			trans	-75.6	126.8	173.8	-58.1	176.3	-167.5	85.2	-2.9	108.4	I879 Q886 T892 E894 F896 Y903	I879-R888 PolarHBondContact O-NH1 2.9Å; Q886-R888 PolarHBondContact O-N 2.84Å; R888-T892 HydrophobicContact CB-CG2 4.47Å; R888-T892 HydrophobicContact CG-CG2 4.5Å; R888-E894 IonicContact CZ-OE1 2.65Å; R888-E894 VanDerWaalsContact NE-CD 3.29Å; R888-E894 IonicContact NE-OE1 3.86Å; R888-E894 PolarHBondContact NE-OE1 2.97Å; R888-E894 IonicContact NE-OE2 3.66Å; R888-E894 PolarHBondContact NE-OE2 3.19Å; R888-E894 IonicContact NH2-OE1 2.97Å; R888-E894 PolarHBondContact NH2-OE1 3.2Å; R888-F896 VanDerWaalsContact NH2-CD2 3.35Å; R888-Y903 HydrophobicContact CB-CD1 3.71Å; R888-Y903 HydrophobicContact CB-CE1 3.86Å
889	R	58.6	Low	60.5	Low	136 Å²	136	59.5 Å²	59.5	51%	0.513	31%	0.308	S	S	.	.			trans	-122.8	-7	-173.8	-70	-174.4	173.9	164.7	-2.8	114.8	I887	I887-R889 HydrophobicContact CG2-CG 3.99Å
890	G	57.4	Low	59.9	Low	25 Å²	25	59.5 Å²	59.5	26%	0.258	31%	0.308	S	S	.	.	S	Bend	trans	-134.1	-176.1	175.5	0	0	0	0	0	109.9	T892	G890-T892 PolarHBondContact O-N 3.44Å; G890-T892 PolarHBondContact O-OG1 2.67Å
891	E	69.4	Low	60.3	Low	133 Å²	133	58.3 Å²	58.3	62%	0.621	30%	0.303	S	S	*	.			trans	-59.1	130.5	172.1	-171.5	166.3	-142.2	0	0	110.1	Y902 Y903	E891-Y902 HydrophobicContact CG-CE2 3.96Å; E891-Y902 WeakPolarHBondContact OE1-CE2 3.43Å; E891-Y902 VanDerWaalsContact OE1-CZ 3.26Å; E891-Y902 PolarHBondContact OE1-OH 2.8Å; E891-Y903 CarbonylContact C-O 3.52Å; E891-Y903 VanDerWaalsContact CA-O 3.22Å; E891-Y903 WeakPolarHBondContact CA-O 3.44Å
892	T	62	Low	61.2	Low	35 Å²	35	59.7 Å²	59.7	22%	0.215	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	138.2	-174.2	34.7	0	0	0	0	110.5	R888 G890 Y902 Y903	R888-T892 HydrophobicContact CB-CG2 4.47Å; R888-T892 HydrophobicContact CG-CG2 4.5Å; G890-T892 PolarHBondContact O-N 3.44Å; G890-T892 PolarHBondContact O-OG1 2.67Å; T892-Y902 CarbonylContact O-C 3.31Å; T892-Y902 WeakPolarHBondContact O-CA 3.41Å; T892-Y903 PolarHBondContact N-O 3.16Å; T892-Y903 PolarHBondContact O-N 3.09Å
893	H	65.8	Low	62.7	Low	84 Å²	84	55.6 Å²	55.6	39%	0.389	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	105.6	177.3	-163	-103.5	0	0	0	108.6	L750 E900 L901	L750-H893 VanDerWaalsContact CD1-ND1 3.31Å; L750-H893 WeakPolarHBondContact CD1-ND1 3.32Å; H893-E900 IonicContact CE1-OE1 2.71Å; H893-E900 PolarHBondContact CE1-OE1 2.92Å; H893-E900 IonicContact CE1-OE2 3.96Å; H893-L901 VanDerWaalsContact CA-O 3.27Å; H893-L901 WeakPolarHBondContact CA-O 3.22Å
894	E	60.9	Low	64.2	Low	45 Å²	45	51.3 Å²	51.3	21%	0.21	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	152.3	-168.1	59	174.3	-126.8	0	0	113.8	R888 F896 L901	R888-E894 IonicContact CZ-OE1 2.65Å; R888-E894 VanDerWaalsContact NE-CD 3.29Å; R888-E894 IonicContact NE-OE1 3.86Å; R888-E894 PolarHBondContact NE-OE1 2.97Å; R888-E894 IonicContact NE-OE2 3.66Å; R888-E894 PolarHBondContact NE-OE2 3.19Å; R888-E894 IonicContact NH2-OE1 2.97Å; R888-E894 PolarHBondContact NH2-OE1 3.2Å; E894-F896 PolarHBondContact O-N 3Å; E894-L901 HydrophobicContact CG-CB 4.26Å; E894-L901 HydrophobicContact CG-CD2 4.35Å; E894-L901 PolarHBondContact N-O 3.22Å; E894-L901 PolarHBondContact O-N 3.4Å
895	P	62.3	Low	65.5	Low	74 Å²	74	49 Å²	49	48%	0.481	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	119.1	169.8	28.9	-33.8	0	0	0	110.6	A781	A781-P895 HydrophobicContact CB-CB 4.46Å
896	F	69.2	Low	66.9	Low	10 Å²	10	43.6 Å²	43.6	4%	0.044	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	124.7	-169.8	174	-107.1	0	0	0	110.6	I879 E881 R888 E894 G898 A899 L901 I915 V923	I879-F896 HydrophobicContact CG2-CE1 3.78Å; I879-F896 HydrophobicContact CG2-CE2 4.45Å; I879-F896 HydrophobicContact CG2-CZ 3.66Å; E881-F896 HydrophobicContact CB-CD2 4.5Å; E881-F896 HydrophobicContact CB-CE2 3.65Å; E881-F896 HydrophobicContact CB-CZ 3.95Å; R888-F896 VanDerWaalsContact NH2-CD2 3.35Å; E894-F896 PolarHBondContact O-N 3Å; F896-G898 PolarHBondContact O-N 2.8Å; F896-A899 PolarHBondContact N-O 3.37Å; F896-A899 CarbonylContact O-C 3.56Å; F896-A899 PolarHBondContact O-N 2.65Å; F896-L901 HydrophobicContact CB-CB 3.45Å; F896-L901 VanDerWaalsContact CB-CB 3.45Å; F896-L901 HydrophobicContact CB-CD2 4.11Å; F896-L901 HydrophobicContact CB-CG 4.43Å; F896-L901 HydrophobicContact CD1-CB 3.89Å; F896-L901 HydrophobicContact CD1-CD2 3.93Å; F896-L901 HydrophobicContact CD1-CG 4.37Å; F896-L901 HydrophobicContact CD2-CD2 4.09Å; F896-L901 HydrophobicContact CE1-CD2 4.36Å; F896-L901 HydrophobicContact CG-CB 3.86Å; F896-L901 HydrophobicContact CG-CD2 3.78Å; F896-L901 HydrophobicContact CG-CG 4.43Å; F896-I915 HydrophobicContact CD1-CD1 4.34Å; F896-I915 HydrophobicContact CE1-CD1 4.14Å; F896-V923 HydrophobicContact CD1-CG2 4.44Å; F896-V923 HydrophobicContact CE1-CB 4.29Å; F896-V923 HydrophobicContact CE1-CG1 3.74Å; F896-V923 HydrophobicContact CE1-CG2 3.51Å; F896-V923 HydrophobicContact CZ-CG1 4Å; F896-V923 HydrophobicContact CZ-CG2 4.01Å
897	A	68.4	Low	67.5	Low	7 Å²	7	43.8 Å²	43.8	6%	0.058	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	25.3	177.6	0	0	0	0	0	115.9	E881 L919 N920 K921 V923	E881-A897 HydrophobicContact CG-CB 4.21Å; E881-A897 WeakPolarHBondContact OE2-CA 3.42Å; E881-A897 PolarHBondContact OE2-N 2.85Å; A897-L919 HydrophobicContact CB-CD2 3.49Å; A897-L919 VanDerWaalsContact CB-CD2 3.49Å; A897-N920 WeakPolarHBondContact O-CB 3.07Å; A897-N920 PolarHBondContact O-N 2.85Å; A897-K921 HydrophobicContact CB-CB 4.15Å; A897-V923 HydrophobicContact CB-CG2 4.08Å
898	G	62.9	Low	68	Low	33 Å²	33	41.7 Å²	41.7	34%	0.34	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	91	-0.3	-177.3	0	0	0	0	0	115.9	F896 R918	F896-G898 PolarHBondContact O-N 2.8Å; G898-R918 CarbonylContact C-O 3.5Å
899	A	69.7	Low	68.3	Low	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	176.2	-179.7	0	0	0	0	0	110.6	L782 F896 I915 T916 L919	L782-A899 VanDerWaalsContact CD1-CA 3.44Å; L782-A899 WeakPolarHBondContact CD1-O 3.41Å; F896-A899 PolarHBondContact N-O 3.37Å; F896-A899 CarbonylContact O-C 3.56Å; F896-A899 PolarHBondContact O-N 2.65Å; A899-I915 HydrophobicContact CB-CG2 3.33Å; A899-T916 CarbonylContact C-O 3.51Å; A899-T916 WeakPolarHBondContact CA-O 3.31Å; A899-T916 VanDerWaalsContact CB-O 3.25Å; A899-T916 WeakPolarHBondContact CB-O 3.21Å; A899-L919 HydrophobicContact CB-CD2 3.94Å; A899-L919 HydrophobicContact CB-CG 4.19Å
900	E	66.9	Low	69.1	Low	5 Å²	5	42.3 Å²	42.3	2%	0.023	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	111.5	179.9	-143.7	163.6	-150.5	0	0	107.9	L782 H893 Y902 I915 T916	L782-E900 HydrophobicContact CB-CB 4.31Å; L782-E900 HydrophobicContact CD1-CB 3.6Å; L782-E900 HydrophobicContact CD1-CG 4.28Å; H893-E900 IonicContact CE1-OE1 2.71Å; H893-E900 PolarHBondContact CE1-OE1 2.92Å; H893-E900 IonicContact CE1-OE2 3.96Å; E900-Y902 PolarHBondContact O-N 3.37Å; E900-I915 CarbonylContact O-C 3.54Å; E900-I915 VanDerWaalsContact O-CA 3.27Å; E900-I915 WeakPolarHBondContact O-CA 3.43Å; E900-T916 WeakPolarHBondContact CB-OG1 3.39Å; E900-T916 PolarHBondContact N-O 3.25Å; E900-T916 PolarHBondContact O-N 2.91Å
901	L	79.8	Confident	70.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	107.6	177.4	169.6	62.5	0	0	0	109.3	I879 H893 E894 F896 V913 I915	I879-L901 HydrophobicContact CD1-CD1 4.02Å; I879-L901 HydrophobicContact CD1-CD2 4.27Å; I879-L901 HydrophobicContact CG2-CD1 4.4Å; I879-L901 HydrophobicContact CG2-CD2 4.1Å; H893-L901 VanDerWaalsContact CA-O 3.27Å; H893-L901 WeakPolarHBondContact CA-O 3.22Å; E894-L901 HydrophobicContact CG-CB 4.26Å; E894-L901 HydrophobicContact CG-CD2 4.35Å; E894-L901 PolarHBondContact N-O 3.22Å; E894-L901 PolarHBondContact O-N 3.4Å; F896-L901 HydrophobicContact CB-CB 3.45Å; F896-L901 VanDerWaalsContact CB-CB 3.45Å; F896-L901 HydrophobicContact CB-CD2 4.11Å; F896-L901 HydrophobicContact CB-CG 4.43Å; F896-L901 HydrophobicContact CD1-CB 3.89Å; F896-L901 HydrophobicContact CD1-CD2 3.93Å; F896-L901 HydrophobicContact CD1-CG 4.37Å; F896-L901 HydrophobicContact CD2-CD2 4.09Å; F896-L901 HydrophobicContact CE1-CD2 4.36Å; F896-L901 HydrophobicContact CG-CB 3.86Å; F896-L901 HydrophobicContact CG-CD2 3.78Å; F896-L901 HydrophobicContact CG-CG 4.43Å; L901-V913 HydrophobicContact CD1-CG1 3.59Å; L901-I915 HydrophobicContact CD1-CD1 4.48Å; L901-I915 HydrophobicContact CD1-CG1 3.89Å
902	Y	82.4	Confident	71.1	Confident	68 Å²	68	36.7 Å²	36.7	27%	0.267	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	130.6	153	176.6	-100.2	0	0	0	109.4	E891 T892 E900 I912 V913 S914	E891-Y902 HydrophobicContact CG-CE2 3.96Å; E891-Y902 WeakPolarHBondContact OE1-CE2 3.43Å; E891-Y902 VanDerWaalsContact OE1-CZ 3.26Å; E891-Y902 PolarHBondContact OE1-OH 2.8Å; T892-Y902 CarbonylContact O-C 3.31Å; T892-Y902 WeakPolarHBondContact O-CA 3.41Å; E900-Y902 PolarHBondContact O-N 3.37Å; Y902-I912 HydrophobicContact CD1-CG2 4.29Å; Y902-I912 HydrophobicContact CE1-CB 4.44Å; Y902-I912 HydrophobicContact CE1-CG2 4.15Å; Y902-V913 CarbonylContact O-C 3.54Å; Y902-V913 WeakPolarHBondContact O-CA 3.31Å; Y902-S914 WeakPolarHBondContact CB-O 3.43Å; Y902-S914 PolarHBondContact N-O 2.92Å; Y902-S914 PolarHBondContact O-N 2.94Å
903	Y	84.7	Confident	72.3	Confident	1 Å²	1	35 Å²	35	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	123.4	168.9	170.1	-132.3	0	0	0	109.7	L877 I879 R888 E891 T892 G905 E911 I912 V913	L877-Y903 HydrophobicContact CB-CE2 4.13Å; L877-Y903 PolarHBondContact O-OH 2.87Å; I879-Y903 HydrophobicContact CD1-CD1 3.89Å; I879-Y903 HydrophobicContact CD1-CD2 3.82Å; I879-Y903 HydrophobicContact CD1-CE1 4.35Å; I879-Y903 HydrophobicContact CD1-CE2 4.31Å; I879-Y903 HydrophobicContact CD1-CG 3.58Å; R888-Y903 HydrophobicContact CB-CD1 3.71Å; R888-Y903 HydrophobicContact CB-CE1 3.86Å; E891-Y903 CarbonylContact C-O 3.52Å; E891-Y903 VanDerWaalsContact CA-O 3.22Å; E891-Y903 WeakPolarHBondContact CA-O 3.44Å; T892-Y903 PolarHBondContact N-O 3.16Å; T892-Y903 PolarHBondContact O-N 3.09Å; Y903-G905 VanDerWaalsContact C-N 3.26Å; Y903-G905 PolarHBondContact O-N 2.94Å; Y903-E911 HydrophobicContact CE2-CB 4.26Å; Y903-E911 PolarHBondContact OH-OE2 3.39Å; Y903-I912 CarbonylContact C-O 3.54Å; Y903-I912 VanDerWaalsContact CA-O 3.26Å; Y903-I912 WeakPolarHBondContact CA-O 3.5Å; Y903-I912 WeakPolarHBondContact CD2-O 3.42Å; Y903-V913 HydrophobicContact CD2-CG2 3.8Å; Y903-V913 HydrophobicContact CE2-CG2 4.25Å
904	S	76.9	Confident	73.4	Confident	19 Å²	19	32.4 Å²	32.4	13%	0.133	17%	0.167	C	C	.	.			trans	-74.1	-11.4	-176.4	64.6	0	0	0	0	114.7	E910 I912	S904-E910 PolarHBondContact OG-O 2.91Å; S904-I912 PolarHBondContact N-O 3.48Å; S904-I912 PolarHBondContact OG-N 3.01Å
905	G	72.2	Confident	74.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.			trans	76.6	162.4	-178.2	0	0	0	0	0	114.3	Y903 R907	Y903-G905 VanDerWaalsContact C-N 3.26Å; Y903-G905 PolarHBondContact O-N 2.94Å; G905-R907 PolarHBondContact O-N 3.04Å
906	S	69.9	Low	75.2	Confident	1 Å²	1	29 Å²	29	1%	0.007	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	23.4	-174.1	52.5	0	0	0	0	115.7	Y867 E911	Y867-S906 WeakPolarHBondContact CE1-O 3.19Å; S906-E911 WeakPolarHBondContact CA-OE1 3.42Å; S906-E911 WeakPolarHBondContact CB-OE1 3.44Å
907	R	62.1	Low	75.3	Confident	130 Å²	130	29 Å²	29	49%	0.491	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-7.6	-179.6	-75.8	-175.4	170.3	179.6	-3.2	114.5	Y867 G905	Y867-R907 WeakPolarHBondContact CD1-O 3.43Å; Y867-R907 WeakPolarHBondContact CD2-O 3.48Å; G905-R907 PolarHBondContact O-N 3.04Å
908	S	64.1	Low	75.9	Confident	49 Å²	49	32 Å²	32	34%	0.343	16%	0.16	S	C	.	.	S	Bend	trans	-125.4	156	-179.4	80.5	0	0	0	0	110.9	Y867 E910	Y867-S908 PolarHBondContact OH-O 2.96Å; S908-E910 PolarHBondContact O-N 2.93Å; S908-E910 VanDerWaalsContact O-N 3.1Å; S908-E910 PolarHBondContact OG-O 2.8Å; S908-E910 VanDerWaalsContact OG-O 3.1Å
909	R	69.2	Low	76.6	Confident	104 Å²	104	30.5 Å²	30.5	39%	0.392	15%	0.145	S	C	.	.	S	Bend	trans	-58.6	-27.6	-174.6	-174	174.9	-176.5	153	10.5	112.9	S861 D862 N864 Y867	S861-R909 WeakPolarHBondContact CB-O 3.48Å; S861-R909 PolarHBondContact N-O 2.84Å; S861-R909 PolarHBondContact O-NE 3.2Å; S861-R909 PolarHBondContact O-NH2 3.2Å; S861-R909 PolarHBondContact OG-O 2.95Å; D862-R909 PolarHBondContact O-NH2 2.04Å; N864-R909 PolarHBondContact OD1-NH1 2.79Å; N864-R909 PolarHBondContact OD1-NH2 2.98Å; Y867-R909 PolarHBondContact OH-N 3.01Å
910	E	75.7	Confident	76.8	Confident	66 Å²	66	34.7 Å²	34.7	31%	0.308	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	101.4	175.7	-56.4	-160	163.6	0	0	110.7	R858 K859 V860 S904 S908 I912	R858-E910 WeakPolarHBondContact CD-OE2 3.37Å; R858-E910 HydrophobicContact CG-CB 4.44Å; R858-E910 IonicContact CZ-OE1 3.75Å; R858-E910 IonicContact CZ-OE2 3.63Å; R858-E910 IonicContact NE-OE2 2.65Å; R858-E910 IonicContact NH1-OE1 3.12Å; R858-E910 PolarHBondContact NH1-OE1 2.76Å; R858-E910 IonicContact NH1-OE2 3.48Å; R858-E910 PolarHBondContact NH1-OE2 2.97Å; K859-E910 CarbonylContact O-C 3.49Å; K859-E910 VanDerWaalsContact O-CA 3.25Å; K859-E910 WeakPolarHBondContact O-CA 3.22Å; V860-E910 HydrophobicContact CG1-CG 4.49Å; V860-E910 HydrophobicContact CG2-CG 4.23Å; S904-E910 PolarHBondContact OG-O 2.91Å; S908-E910 PolarHBondContact O-N 2.93Å; S908-E910 VanDerWaalsContact O-N 3.1Å; S908-E910 PolarHBondContact OG-O 2.8Å; S908-E910 VanDerWaalsContact OG-O 3.1Å; E910-I912 HydrophobicContact CB-CG1 4.49Å; E910-I912 PolarHBondContact O-N 3.01Å
911	E	83.1	Confident	77.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	114.7	171.6	-48.2	-178.1	-164.5	0	0	108.4	R858 K859 L877 Y903 S906	R858-E911 WeakPolarHBondContact CA-O 3.41Å; K859-E911 HydrophobicContact CB-CB 4.1Å; K859-E911 HydrophobicContact CD-CB 4.38Å; K859-E911 HydrophobicContact CD-CG 4.1Å; K859-E911 PolarHBondContact N-O 2.77Å; K859-E911 IonicContact NZ-OE1 2.91Å; K859-E911 PolarHBondContact NZ-OE1 2.71Å; K859-E911 PolarHBondContact O-N 3.06Å; L877-E911 WeakPolarHBondContact CB-OE2 3.49Å; L877-E911 HydrophobicContact CD1-CB 3.98Å; L877-E911 HydrophobicContact CG-CB 4.29Å; L877-E911 WeakPolarHBondContact CG-OE2 3.35Å; L877-E911 PolarHBondContact N-OE2 3.14Å; Y903-E911 HydrophobicContact CE2-CB 4.26Å; Y903-E911 PolarHBondContact OH-OE2 3.39Å; S906-E911 WeakPolarHBondContact CA-OE1 3.42Å; S906-E911 WeakPolarHBondContact CB-OE1 3.44Å
912	I	85.6	Confident	76.8	Confident	40 Å²	40	37.8 Å²	37.8	21%	0.205	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.7	-174.7	-65.6	171.8	0	0	0	108.3	F856 V857 R858 Y902 Y903 S904 E910	F856-I912 HydrophobicContact CD2-CG2 4.22Å; F856-I912 HydrophobicContact CE2-CG2 3.5Å; F856-I912 VanDerWaalsContact CE2-CG2 3.5Å; F856-I912 HydrophobicContact CZ-CG2 4.03Å; V857-I912 CarbonylContact O-C 3.34Å; V857-I912 WeakPolarHBondContact O-CA 3.4Å; R858-I912 HydrophobicContact CG-CG1 4.25Å; Y902-I912 HydrophobicContact CD1-CG2 4.29Å; Y902-I912 HydrophobicContact CE1-CB 4.44Å; Y902-I912 HydrophobicContact CE1-CG2 4.15Å; Y903-I912 CarbonylContact C-O 3.54Å; Y903-I912 VanDerWaalsContact CA-O 3.26Å; Y903-I912 WeakPolarHBondContact CA-O 3.5Å; Y903-I912 WeakPolarHBondContact CD2-O 3.42Å; S904-I912 PolarHBondContact N-O 3.48Å; S904-I912 PolarHBondContact OG-N 3.01Å; E910-I912 HydrophobicContact CB-CG1 4.49Å; E910-I912 PolarHBondContact O-N 3.01Å
913	V	87.3	Confident	76.6	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.6	168.1	-175	0	0	0	0	106.9	F856 V857 L877 I879 L901 Y902 Y903 I915 I925	F856-V913 CarbonylContact C-O 3.42Å; F856-V913 WeakPolarHBondContact CA-O 3.29Å; V857-V913 HydrophobicContact CB-CB 4.1Å; V857-V913 PolarHBondContact N-O 2.79Å; V857-V913 PolarHBondContact O-N 2.95Å; L877-V913 HydrophobicContact CD1-CG2 3.78Å; I879-V913 HydrophobicContact CD1-CB 4.43Å; I879-V913 HydrophobicContact CD1-CG1 3.89Å; I879-V913 HydrophobicContact CD1-CG2 3.69Å; I879-V913 HydrophobicContact CG1-CG1 4.47Å; I879-V913 HydrophobicContact CG1-CG2 4.16Å; L901-V913 HydrophobicContact CD1-CG1 3.59Å; Y902-V913 CarbonylContact O-C 3.54Å; Y902-V913 WeakPolarHBondContact O-CA 3.31Å; Y903-V913 HydrophobicContact CD2-CG2 3.8Å; Y903-V913 HydrophobicContact CE2-CG2 4.25Å; V913-I915 HydrophobicContact CG1-CD1 4.19Å; V913-I915 HydrophobicContact CG1-CG1 4.08Å; V913-I925 HydrophobicContact CG1-CD1 4.2Å
914	S	87.3	Confident	76.3	Confident	28 Å²	28	36 Å²	36	20%	0.196	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	110.8	176.6	-173.5	0	0	0	0	109.3	Y902	Y902-S914 WeakPolarHBondContact CB-O 3.43Å; Y902-S914 PolarHBondContact N-O 2.92Å; Y902-S914 PolarHBondContact O-N 2.94Å
915	I	85	Confident	76.6	Confident	1 Å²	1	35 Å²	35	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	100.5	-177.5	-61.6	174.1	0	0	0	107.9	I848 N854 A855 F896 A899 E900 L901 V913 L919 V923	I848-I915 HydrophobicContact CD1-CD1 4.48Å; N854-I915 CarbonylContact C-O 3.54Å; N854-I915 VanDerWaalsContact CA-O 3.26Å; N854-I915 WeakPolarHBondContact CA-O 3.19Å; A855-I915 HydrophobicContact CB-CB 4.28Å; A855-I915 PolarHBondContact N-O 3.07Å; A855-I915 PolarHBondContact O-N 3.1Å; F896-I915 HydrophobicContact CD1-CD1 4.34Å; F896-I915 HydrophobicContact CE1-CD1 4.14Å; A899-I915 HydrophobicContact CB-CG2 3.33Å; E900-I915 CarbonylContact O-C 3.54Å; E900-I915 VanDerWaalsContact O-CA 3.27Å; E900-I915 WeakPolarHBondContact O-CA 3.43Å; L901-I915 HydrophobicContact CD1-CD1 4.48Å; L901-I915 HydrophobicContact CD1-CG1 3.89Å; V913-I915 HydrophobicContact CG1-CD1 4.19Å; V913-I915 HydrophobicContact CG1-CG1 4.08Å; I915-L919 HydrophobicContact CG2-CD1 4.13Å; I915-L919 HydrophobicContact CG2-CD2 3.87Å; I915-L919 HydrophobicContact CG2-CG 3.89Å; I915-V923 HydrophobicContact CD1-CG1 4.1Å; I915-V923 HydrophobicContact CD1-CG2 4.46Å
916	T	76.4	Confident	77	Confident	48 Å²	48	35.5 Å²	35.5	29%	0.294	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	150	-175.7	75.3	0	0	0	0	111.8	A899 E900	A899-T916 CarbonylContact C-O 3.51Å; A899-T916 WeakPolarHBondContact CA-O 3.31Å; A899-T916 VanDerWaalsContact CB-O 3.25Å; A899-T916 WeakPolarHBondContact CB-O 3.21Å; E900-T916 WeakPolarHBondContact CB-OG1 3.39Å; E900-T916 PolarHBondContact N-O 3.25Å; E900-T916 PolarHBondContact O-N 2.91Å
917	G	72.7	Confident	77.3	Confident	9 Å²	9	35.4 Å²	35.4	9%	0.093	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.2	-158.5	-170	0	0	0	0	0	112	T853 N854	T853-G917 WeakPolarHBondContact CA-O 3.45Å; N854-G917 PolarHBondContact N-O 2.63Å; N854-G917 PolarHBondContact OD1-N 3.07Å
918	R	79.9	Confident	78	Confident	69 Å²	69	33 Å²	33	26%	0.26	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.6	-171.6	-171.4	179.5	-71.9	-108.7	18.8	110.4	G851 V852 T853 G898 D948	G851-R918 WeakPolarHBondContact O-CG 3.27Å; G851-R918 PolarHBondContact O-NH1 2.97Å; V852-R918 CarbonylContact O-C 3.52Å; V852-R918 WeakPolarHBondContact O-CA 3.11Å; T853-R918 HydrophobicContact CG2-CB 3.6Å; T853-R918 HydrophobicContact CG2-CG 3.78Å; G898-R918 CarbonylContact C-O 3.5Å; R918-D948 IonicContact NH1-OD2 2.84Å; R918-D948 IonicContact NH2-OD2 2.69Å; R918-D948 PolarHBondContact NH2-OD2 2.69Å
919	L	76.8	Confident	78.4	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.016	15%	0.15	C	C	.	.			trans	-73.4	126.4	179.8	-84.8	170.2	0	0	0	111.9	I848 G851 V852 A897 A899 I915 V923	I848-L919 HydrophobicContact CB-CD1 4.48Å; I848-L919 HydrophobicContact CG2-CD1 3.57Å; G851-L919 WeakPolarHBondContact CA-O 2.89Å; G851-L919 PolarHBondContact N-O 2.88Å; V852-L919 HydrophobicContact CG2-CD1 3.99Å; V852-L919 PolarHBondContact O-N 2.03Å; A897-L919 HydrophobicContact CB-CD2 3.49Å; A897-L919 VanDerWaalsContact CB-CD2 3.49Å; A899-L919 HydrophobicContact CB-CD2 3.94Å; A899-L919 HydrophobicContact CB-CG 4.19Å; I915-L919 HydrophobicContact CG2-CD1 4.13Å; I915-L919 HydrophobicContact CG2-CD2 3.87Å; I915-L919 HydrophobicContact CG2-CG 3.89Å; L919-V923 HydrophobicContact CD1-CB 4.49Å; L919-V923 HydrophobicContact CD1-CG2 3.91Å; L919-V923 HydrophobicContact CD2-CG2 3.62Å; L919-V923 HydrophobicContact CG-CG2 4.44Å
920	N	74.5	Confident	78.4	Confident	87 Å²	87	29.3 Å²	29.3	47%	0.465	15%	0.146	S	C	.	.	S	Bend	trans	-87.6	-8.6	174.8	-69.6	-17.4	0	0	0	112.8	K850 A897	K850-N920 WeakPolarHBondContact CD-O 3.44Å; K850-N920 WeakPolarHBondContact CE-O 3.43Å; K850-N920 WeakPolarHBondContact CG-O 3.02Å; A897-N920 WeakPolarHBondContact O-CB 3.07Å; A897-N920 PolarHBondContact O-N 2.85Å
921	K	73.2	Confident	77.9	Confident	48 Å²	48	29 Å²	29	21%	0.209	15%	0.146	C	C	.	.	S	Bend	trans	-144.6	163.1	-176.5	-62.4	179.2	160.9	-158.3	0	111.6	E881 E882 A897	E881-K921 VanDerWaalsContact CD-CD 3.46Å; E881-K921 HydrophobicContact CG-CB 4.46Å; E881-K921 HydrophobicContact CG-CD 3.61Å; E881-K921 WeakPolarHBondContact OE1-CD 3.4Å; E881-K921 IonicContact OE1-NZ 2.65Å; E881-K921 PolarHBondContact OE1-NZ 2.82Å; E882-K921 VanDerWaalsContact CD-CD 3.49Å; E882-K921 HydrophobicContact CG-CB 4.45Å; E882-K921 HydrophobicContact CG-CD 4.3Å; E882-K921 VanDerWaalsContact OE1-CD 3.25Å; E882-K921 WeakPolarHBondContact OE1-CD 3.49Å; E882-K921 WeakPolarHBondContact OE1-CE 3.33Å; E882-K921 WeakPolarHBondContact OE1-CG 3.35Å; E882-K921 IonicContact OE1-NZ 3.99Å; E882-K921 WeakPolarHBondContact OE2-CE 3.01Å; E882-K921 IonicContact OE2-NZ 3.44Å; E882-K921 PolarHBondContact OE2-NZ 2.73Å; A897-K921 HydrophobicContact CB-CB 4.15Å
922	D	73	Confident	76.7	Confident	23 Å²	23	32.3 Å²	32.3	12%	0.123	17%	0.17	C	C	.	.			trans	-71.6	140.5	170.9	-80.6	30.6	0	0	0	110.9	R847 K850 R1060	R847-D922 IonicContact CZ-OD2 3.77Å; R847-D922 VanDerWaalsContact CZ-OD2 3.27Å; R847-D922 IonicContact NE-OD2 3.33Å; R847-D922 PolarHBondContact NE-OD2 3.45Å; R847-D922 IonicContact NH2-OD2 3.67Å; R847-D922 PolarHBondContact NH2-OD2 2.89Å; K850-D922 PolarHBondContact N-OD1 2.78Å; D922-R1060 VanDerWaalsContact CG-NH1 3.26Å; D922-R1060 IonicContact OD1-NH1 3.07Å; D922-R1060 PolarHBondContact OD1-NH1 3.13Å; D922-R1060 IonicContact OD2-NH1 3.69Å; D922-R1060 PolarHBondContact OD2-NH1 2.8Å
923	V	78.8	Confident	75.6	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.7	176.7	176.1	0	0	0	0	109.8	I848 I879 F880 F896 A897 I915 L919 I925	I848-V923 HydrophobicContact CB-CB 4.29Å; I848-V923 PolarHBondContact N-O 2.85Å; I848-V923 PolarHBondContact O-N 3.17Å; I879-V923 HydrophobicContact CG2-CG1 4.04Å; F880-V923 WeakPolarHBondContact O-CA 2.8Å; F896-V923 HydrophobicContact CD1-CG2 4.44Å; F896-V923 HydrophobicContact CE1-CB 4.29Å; F896-V923 HydrophobicContact CE1-CG1 3.74Å; F896-V923 HydrophobicContact CE1-CG2 3.51Å; F896-V923 HydrophobicContact CZ-CG1 4Å; F896-V923 HydrophobicContact CZ-CG2 4.01Å; A897-V923 HydrophobicContact CB-CG2 4.08Å; I915-V923 HydrophobicContact CD1-CG1 4.1Å; I915-V923 HydrophobicContact CD1-CG2 4.46Å; L919-V923 HydrophobicContact CD1-CB 4.49Å; L919-V923 HydrophobicContact CD1-CG2 3.91Å; L919-V923 HydrophobicContact CD2-CG2 3.62Å; L919-V923 HydrophobicContact CG-CG2 4.44Å; V923-I925 HydrophobicContact CG1-CD1 3.93Å
924	N	79.2	Confident	74.5	Confident	30 Å²	30	38.5 Å²	38.5	16%	0.16	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.3	173.2	-66.4	-40	0	0	0	110.1	R847 F880 V926	R847-N924 WeakPolarHBondContact CD-OD1 3.33Å; R847-N924 WeakPolarHBondContact CG-OD1 3.27Å; F880-N924 HydrophobicContact CB-CB 4.35Å; F880-N924 PolarHBondContact N-O 3.36Å; F880-N924 PolarHBondContact O-N 3Å; N924-V926 HydrophobicContact CB-CG2 4.24Å
925	I	83.2	Confident	73.4	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.6	172.3	-52.4	-61.9	0	0	0	107.9	A845 V846 I848 V857 L877 I879 V913 V923	A845-I925 PolarHBondContact N-O 3.05Å; V846-I925 HydrophobicContact CB-CB 4.12Å; V846-I925 HydrophobicContact CB-CG1 4.33Å; V846-I925 PolarHBondContact N-O 3.16Å; V846-I925 PolarHBondContact O-N 2.69Å; I848-I925 HydrophobicContact CD1-CD1 4.18Å; I848-I925 HydrophobicContact CD1-CG1 3.75Å; I848-I925 HydrophobicContact CG1-CG1 4.44Å; V857-I925 HydrophobicContact CG1-CG2 4.38Å; V857-I925 HydrophobicContact CG2-CG1 4.28Å; L877-I925 HydrophobicContact CD2-CG2 3.96Å; I879-I925 HydrophobicContact CB-CD1 4.43Å; I879-I925 HydrophobicContact CG1-CD1 4.19Å; I879-I925 HydrophobicContact CG2-CD1 3.95Å; V913-I925 HydrophobicContact CG1-CD1 4.2Å; V923-I925 HydrophobicContact CG1-CD1 3.93Å
926	V	79.4	Confident	72.4	Confident	9 Å²	9	45.6 Å²	45.6	6%	0.055	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	123.5	-167	175.2	0	0	0	0	109.1	L842 M843 T844 L878 F880 N924 R928	L842-V926 HydrophobicContact CB-CG1 3.77Å; L842-V926 HydrophobicContact CD2-CG1 4.24Å; L842-V926 HydrophobicContact CG-CG1 4.43Å; M843-V926 CarbonylContact O-C 3.43Å; M843-V926 WeakPolarHBondContact O-CA 3.26Å; T844-V926 HydrophobicContact CG2-CG2 4.49Å; L878-V926 HydrophobicContact CB-CB 4.38Å; L878-V926 PolarHBondContact N-O 3.4Å; L878-V926 PolarHBondContact O-N 3.18Å; F880-V926 HydrophobicContact CD2-CB 4.05Å; F880-V926 HydrophobicContact CD2-CG2 3.7Å; F880-V926 HydrophobicContact CE2-CB 3.82Å; F880-V926 HydrophobicContact CE2-CG1 4.16Å; F880-V926 HydrophobicContact CE2-CG2 3.86Å; N924-V926 HydrophobicContact CB-CG2 4.24Å; V926-R928 PolarHBondContact O-N 3.34Å
927	I	77.8	Confident	72	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	121.2	168.3	-67.3	161.8	0	0	0	108	F827 M843 A845 F875 M876 L877 P939 V941	F827-I927 HydrophobicContact CD1-CD1 4.26Å; F827-I927 HydrophobicContact CE1-CD1 3.92Å; M843-I927 HydrophobicContact CE-CB 4.04Å; M843-I927 HydrophobicContact CE-CD1 3.59Å; M843-I927 HydrophobicContact CE-CG1 4.4Å; M843-I927 HydrophobicContact CE-CG2 4.37Å; M843-I927 PolarHBondContact N-O 2.94Å; M843-I927 PolarHBondContact O-N 2.86Å; A845-I927 HydrophobicContact CB-CD1 4.01Å; A845-I927 HydrophobicContact CB-CG1 4.19Å; F875-I927 HydrophobicContact CB-CG2 3.88Å; F875-I927 HydrophobicContact CD1-CG2 3.98Å; F875-I927 HydrophobicContact CG-CG2 4.35Å; M876-I927 WeakPolarHBondContact O-CA 3.24Å; L877-I927 HydrophobicContact CD2-CG1 3.99Å; I927-P939 HydrophobicContact CD1-CG 4.13Å; I927-V941 HydrophobicContact CD1-CG2 3.85Å; I927-V941 HydrophobicContact CG1-CG2 4.41Å
928	R	75.9	Confident	71.9	Confident	78 Å²	78	46.3 Å²	46.3	29%	0.294	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126.7	161.7	177.4	165.4	-176.8	-121.1	-6.9	108.7	L842 F875 M876 L878 V926 E930	L842-R928 HydrophobicContact CD2-CB 3.56Å; L842-R928 HydrophobicContact CD2-CG 3.75Å; F875-R928 CarbonylContact C-O 3.52Å; F875-R928 WeakPolarHBondContact CA-O 3.49Å; M876-R928 PolarHBondContact N-O 2.86Å; M876-R928 PolarHBondContact O-N 3.23Å; L878-R928 HydrophobicContact CD1-CB 3.9Å; L878-R928 HydrophobicContact CG-CB 3.99Å; V926-R928 PolarHBondContact O-N 3.34Å; R928-E930 WeakPolarHBondContact CD-OE1 3.24Å; R928-E930 IonicContact CZ-OE1 2.69Å; R928-E930 VanDerWaalsContact CZ-OE1 3.25Å; R928-E930 IonicContact CZ-OE2 2.68Å; R928-E930 IonicContact NE-OE1 3.19Å; R928-E930 PolarHBondContact NE-OE1 3.33Å; R928-E930 IonicContact NE-OE2 2.89Å; R928-E930 IonicContact NH1-OE1 3.35Å; R928-E930 PolarHBondContact NH1-OE1 2.79Å; R928-E930 IonicContact NH1-OE2 3.2Å; R928-E930 PolarHBondContact NH1-OE2 3.29Å; R928-E930 IonicContact NH2-OE2 2.85Å; R928-E930 PolarHBondContact NH2-OE2 2.88Å; R928-E930 PolarHBondContact O-N 3.37Å
929	V	73.3	Confident	71.6	Confident	13 Å²	13	43.1 Å²	43.1	8%	0.079	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	108.8	165.4	-174.3	0	0	0	0	107.2	P839 G841 D874 F875 N931 T934	P839-V929 HydrophobicContact CB-CG2 4.45Å; P839-V929 HydrophobicContact CG-CG2 4.35Å; G841-V929 PolarHBondContact O-N 3.06Å; D874-V929 CarbonylContact O-C 3.5Å; F875-V929 HydrophobicContact CD1-CG2 4.08Å; F875-V929 HydrophobicContact CE1-CG1 4.42Å; F875-V929 HydrophobicContact CE1-CG2 4.14Å; V929-N931 VanDerWaalsContact CG1-O 3.27Å; V929-N931 WeakPolarHBondContact CG1-O 3.15Å; V929-T934 HydrophobicContact CG1-CG2 4.26Å
930	E	67.6	Low	71.7	Confident	63 Å²	63	48.7 Å²	48.7	29%	0.294	25%	0.25	S	S	.	.	S	Bend	trans	-76.4	-40.7	174.6	-66.3	-63.8	150.4	0	0	110.5	D874 M876 R928	D874-E930 PolarHBondContact O-N 3.05Å; M876-E930 HydrophobicContact CB-CG 4.15Å; M876-E930 HydrophobicContact CE-CG 3.98Å; M876-E930 VanDerWaalsContact CE-OE1 3.26Å; M876-E930 WeakPolarHBondContact CE-OE1 3.02Å; R928-E930 WeakPolarHBondContact CD-OE1 3.24Å; R928-E930 IonicContact CZ-OE1 2.69Å; R928-E930 VanDerWaalsContact CZ-OE1 3.25Å; R928-E930 IonicContact CZ-OE2 2.68Å; R928-E930 IonicContact NE-OE1 3.19Å; R928-E930 PolarHBondContact NE-OE1 3.33Å; R928-E930 IonicContact NE-OE2 2.89Å; R928-E930 IonicContact NH1-OE1 3.35Å; R928-E930 PolarHBondContact NH1-OE1 2.79Å; R928-E930 IonicContact NH1-OE2 3.2Å; R928-E930 PolarHBondContact NH1-OE2 3.29Å; R928-E930 IonicContact NH2-OE2 2.85Å; R928-E930 PolarHBondContact NH2-OE2 2.88Å; R928-E930 PolarHBondContact O-N 3.37Å
931	N	65.5	Low	72.1	Confident	59 Å²	59	44.5 Å²	44.5	32%	0.316	23%	0.228	S	C	.	.			trans	-100.5	98.5	-178.4	179.9	-0.5	0	0	0	111	D874 V929 H933 T934	D874-N931 HydrophobicContact CB-CB 3.95Å; D874-N931 WeakPolarHBondContact OD1-CB 3.47Å; D874-N931 PolarHBondContact OD1-ND2 2.75Å; V929-N931 VanDerWaalsContact CG1-O 3.27Å; V929-N931 WeakPolarHBondContact CG1-O 3.15Å; N931-H933 PolarHBondContact O-N 3.3Å; N931-H933 WeakPolarHBondContact OD1-CA 3.5Å; N931-H933 PolarHBondContact OD1-N 3.31Å; N931-T934 WeakPolarHBondContact O-CG2 3.42Å; N931-T934 PolarHBondContact O-N 3.45Å; N931-T934 VanDerWaalsContact O-N 3.09Å; N931-T934 PolarHBondContact OD1-N 3.05Å
932	S	59.1	Low	72.7	Confident	71 Å²	71	44.1 Å²	44.1	50%	0.497	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-2.4	178.6	55.3	0	0	0	0	115.3
933	H	62.4	Low	73.4	Confident	156 Å²	156	44.9 Å²	44.9	72%	0.722	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.9	11.5	178	-58.5	-89.4	0	0	0	112.4	N931 T935	N931-H933 PolarHBondContact O-N 3.3Å; N931-H933 WeakPolarHBondContact OD1-CA 3.5Å; N931-H933 PolarHBondContact OD1-N 3.31Å; H933-T935 PolarHBondContact O-N 2.91Å
934	T	64.2	Low	73.9	Confident	13 Å²	13	45.8 Å²	45.8	8%	0.08	23%	0.234	C	C	.	.			trans	-63.6	135.5	179.8	-171.3	0	0	0	0	112.4	D874 F875 V929 N931 Q936	D874-T934 HydrophobicContact CB-CG2 4.17Å; D874-T934 VanDerWaalsContact OD2-CB 3.26Å; D874-T934 WeakPolarHBondContact OD2-CB 3.36Å; D874-T934 PolarHBondContact OD2-OG1 3.2Å; F875-T934 HydrophobicContact CE1-CG2 3.94Å; F875-T934 HydrophobicContact CE2-CG2 4.46Å; F875-T934 HydrophobicContact CZ-CG2 3.67Å; V929-T934 HydrophobicContact CG1-CG2 4.26Å; N931-T934 WeakPolarHBondContact O-CG2 3.42Å; N931-T934 PolarHBondContact O-N 3.45Å; N931-T934 VanDerWaalsContact O-N 3.09Å; N931-T934 PolarHBondContact OD1-N 3.05Å; T934-Q936 WeakPolarHBondContact OG1-CB 3.41Å; T934-Q936 PolarHBondContact OG1-N 2.9Å; T934-Q936 VanDerWaalsContact OG1-N 3.1Å
935	T	64.3	Low	74.3	Confident	123 Å²	123	44.6 Å²	44.6	76%	0.755	23%	0.228	S	C	*	.			trans	-98.5	0.5	170	53	0	0	0	0	112.3	H933	H933-T935 PolarHBondContact O-N 2.91Å
936	Q	64.2	Low	74.5	Confident	55 Å²	55	45.3 Å²	45.3	26%	0.257	23%	0.231	S	C	.	.	S	Bend	trans	-69.5	149.6	179.4	-65.6	-165.3	76	0	0	111.6	D874 F875 T934	D874-Q936 PolarHBondContact OD2-NE2 3.43Å; F875-Q936 HydrophobicContact CE2-CB 3.85Å; F875-Q936 HydrophobicContact CZ-CB 4.41Å; T934-Q936 WeakPolarHBondContact OG1-CB 3.41Å; T934-Q936 PolarHBondContact OG1-N 2.9Å; T934-Q936 VanDerWaalsContact OG1-N 3.1Å
937	S	66.9	Low	74.6	Confident	58 Å²	58	45.4 Å²	45.4	41%	0.406	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-57.6	144.3	168.3	20.8	0	0	0	0	111.2	D862 F875	D862-S937 WeakPolarHBondContact OD2-CB 3.45Å; D862-S937 PolarHBondContact OD2-OG 3.46Å; F875-S937 WeakPolarHBondContact CE2-O 3.19Å
938	L	70.2	Confident	74.4	Confident	15 Å²	15	46.9 Å²	46.9	8%	0.079	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-59.2	128.4	169.1	-89.3	176.1	0	0	0	109.4	P839 M843 F875	P839-L938 HydrophobicContact CB-CD1 4.49Å; P839-L938 HydrophobicContact CG-CD1 4.01Å; P839-L938 HydrophobicContact CG-CD2 3.77Å; P839-L938 HydrophobicContact CG-CG 3.91Å; M843-L938 HydrophobicContact CE-CD1 3.82Å; M843-L938 HydrophobicContact CE-CD2 3.45Å; M843-L938 VanDerWaalsContact CE-CD2 3.45Å; M843-L938 HydrophobicContact CE-CG 4.25Å; M843-L938 HydrophobicContact SD-CD1 3.83Å; M843-L938 HydrophobicContact SD-CD2 4.33Å; F875-L938 HydrophobicContact CD1-CD2 4.09Å; F875-L938 HydrophobicContact CE1-CD2 3.72Å; F875-L938 HydrophobicContact CZ-CD2 4.29Å
939	P	73.6	Confident	74.1	Confident	2 Å²	2	48 Å²	48	1%	0.013	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-71	149.1	-167.3	31	-37.4	0	0	0	111	K859 F875 I927 V941	K859-P939 HydrophobicContact CD-CB 4.4Å; K859-P939 HydrophobicContact CD-CG 4.11Å; K859-P939 HydrophobicContact CG-CB 3.96Å; K859-P939 HydrophobicContact CG-CG 4.12Å; F875-P939 HydrophobicContact CB-CG 3.83Å; F875-P939 HydrophobicContact CD2-CG 3.99Å; F875-P939 HydrophobicContact CG-CG 3.93Å; I927-P939 HydrophobicContact CD1-CG 4.13Å; P939-V941 PolarHBondContact O-N 2.83Å
940	R	78.7	Confident	73.5	Confident	119 Å²	119	51.4 Å²	51.4	45%	0.449	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	114.6	177	172.2	171.8	167.8	153.3	-4.7	109.5	V826 K859 V860 E942	V826-R940 HydrophobicContact CG1-CG 3.74Å; K859-R940 CarbonylContact C-O 3.56Å; K859-R940 WeakPolarHBondContact CA-O 3Å; V860-R940 PolarHBondContact N-O 2.95Å; V860-R940 PolarHBondContact O-N 3.03Å; R940-E942 HydrophobicContact CG-CG 4.12Å; R940-E942 IonicContact CZ-OE1 2.91Å; R940-E942 IonicContact NE-OE1 2.71Å; R940-E942 PolarHBondContact NE-OE1 2.94Å; R940-E942 IonicContact NH2-OE1 3.43Å; R940-E942 PolarHBondContact NH2-OE1 3.09Å
941	V	83.2	Confident	73	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	101.7	177	-172.9	0	0	0	0	109.8	F827 V846 V857 R858 K859 L877 I927 P939	F827-V941 HydrophobicContact CB-CB 4.14Å; F827-V941 WeakPolarHBondContact CB-O 3.06Å; F827-V941 PolarHBondContact N-O 3.11Å; F827-V941 PolarHBondContact O-N 3.3Å; V846-V941 HydrophobicContact CG2-CG1 4.43Å; V857-V941 HydrophobicContact CG1-CG1 3.31Å; R858-V941 WeakPolarHBondContact O-CA 3.31Å; K859-V941 HydrophobicContact CB-CG2 3.86Å; K859-V941 HydrophobicContact CG-CG2 4.12Å; L877-V941 HydrophobicContact CD2-CG2 4.5Å; I927-V941 HydrophobicContact CD1-CG2 3.85Å; I927-V941 HydrophobicContact CG1-CG2 4.41Å; P939-V941 PolarHBondContact O-N 2.83Å
942	E	86.4	Confident	72.1	Confident	39 Å²	39	54.1 Å²	54.1	18%	0.182	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	144.6	175.6	-53.9	-179	147.2	0	0	109.8	V826 V857 R858 R940	V826-E942 HydrophobicContact CG1-CG 4.14Å; V826-E942 HydrophobicContact CG2-CB 4.5Å; V826-E942 HydrophobicContact CG2-CG 4.16Å; V857-E942 CarbonylContact C-O 3.39Å; V857-E942 VanDerWaalsContact CA-O 3.27Å; V857-E942 WeakPolarHBondContact CA-O 3Å; V857-E942 WeakPolarHBondContact CG1-O 3.45Å; R858-E942 IonicContact CZ-OE2 2.95Å; R858-E942 VanDerWaalsContact CZ-OE2 3.23Å; R858-E942 PolarHBondContact N-O 3.08Å; R858-E942 IonicContact NE-OE2 2.76Å; R858-E942 PolarHBondContact NE-OE2 2.97Å; R858-E942 IonicContact NH2-OE1 2.83Å; R858-E942 IonicContact NH2-OE2 3.17Å; R858-E942 PolarHBondContact NH2-OE2 3.22Å; R858-E942 PolarHBondContact O-N 2.97Å; R940-E942 HydrophobicContact CG-CG 4.12Å; R940-E942 IonicContact CZ-OE1 2.91Å; R940-E942 IonicContact NE-OE1 2.71Å; R940-E942 PolarHBondContact NE-OE1 2.94Å; R940-E942 IonicContact NH2-OE1 3.43Å; R940-E942 PolarHBondContact NH2-OE1 3.09Å
943	Y	87.7	Confident	71.5	Confident	39 Å²	39	57.5 Å²	57.5	15%	0.153	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	149.7	174.7	59	-88.7	0	0	0	113.1	K824 G825 V846 F856 Y945	K824-Y943 WeakPolarHBondContact CA-O 3.44Å; G825-Y943 PolarHBondContact N-O 3Å; G825-Y943 WeakPolarHBondContact O-CD1 3.45Å; G825-Y943 PolarHBondContact O-N 2.9Å; V846-Y943 HydrophobicContact CB-CD1 4.32Å; V846-Y943 HydrophobicContact CB-CG 4.47Å; V846-Y943 HydrophobicContact CG1-CD1 3.92Å; V846-Y943 HydrophobicContact CG1-CD2 3.78Å; V846-Y943 HydrophobicContact CG1-CE1 4.17Å; V846-Y943 HydrophobicContact CG1-CE2 4.05Å; V846-Y943 HydrophobicContact CG1-CG 3.7Å; V846-Y943 HydrophobicContact CG2-CD1 3.39Å; V846-Y943 HydrophobicContact CG2-CE1 3.9Å; V846-Y943 HydrophobicContact CG2-CG 3.84Å; F856-Y943 CarbonylContact O-C 3.53Å; F856-Y943 VanDerWaalsContact O-CA 3.29Å; F856-Y943 WeakPolarHBondContact O-CA 3.32Å; Y943-Y945 HydrophobicContact CD2-CD1 4.22Å; Y943-Y945 HydrophobicContact CD2-CE1 4.05Å; Y943-Y945 HydrophobicContact CE2-CE1 4.21Å
944	S	89.1	Confident	70.7	Confident	19 Å²	19	53 Å²	53	13%	0.133	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	127.4	173.5	59.5	0	0	0	0	111.1	I823 F856	I823-S944 CarbonylContact O-C 3.48Å; I823-S944 WeakPolarHBondContact O-CA 3.37Å; F856-S944 PolarHBondContact N-O 2.89Å; F856-S944 PolarHBondContact O-N 3.03Å
945	Y	88.2	Confident	69.7	Low	6 Å²	6	54.6 Å²	54.6	2%	0.024	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.4	176	60.9	-99.6	0	0	0	111.8	I823 P849 V852 Y943	I823-Y945 HydrophobicContact CB-CD2 4Å; I823-Y945 HydrophobicContact CB-CE1 4.18Å; I823-Y945 HydrophobicContact CB-CE2 3.64Å; I823-Y945 HydrophobicContact CB-CG 4.43Å; I823-Y945 HydrophobicContact CG1-CD2 4.16Å; I823-Y945 HydrophobicContact CG1-CE2 3.66Å; I823-Y945 HydrophobicContact CG2-CE1 4.07Å; I823-Y945 HydrophobicContact CG2-CE2 4.1Å; I823-Y945 PolarHBondContact N-O 2.89Å; I823-Y945 PolarHBondContact O-N 2.79Å; P849-Y945 HydrophobicContact CG-CE2 4.23Å; V852-Y945 HydrophobicContact CB-CD2 3.95Å; V852-Y945 HydrophobicContact CG1-CD2 3.7Å; V852-Y945 HydrophobicContact CG1-CE2 3.95Å; V852-Y945 HydrophobicContact CG2-CD2 4.15Å; V852-Y945 HydrophobicContact CG2-CG 4.42Å; Y943-Y945 HydrophobicContact CD2-CD1 4.22Å; Y943-Y945 HydrophobicContact CD2-CE1 4.05Å; Y943-Y945 HydrophobicContact CE2-CE1 4.21Å
946	F	86.4	Confident	68.7	Low	15 Å²	15	49.3 Å²	49.3	7%	0.066	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.1	-173.1	-67.3	-93.4	0	0	0	111.6	R809 C820 E821 E822 V852 T853 N854	R809-F946 HydrophobicContact CB-CD1 3.71Å; R809-F946 HydrophobicContact CB-CD2 3.94Å; R809-F946 HydrophobicContact CB-CE1 3.7Å; R809-F946 HydrophobicContact CB-CE2 3.97Å; R809-F946 HydrophobicContact CB-CG 3.84Å; R809-F946 HydrophobicContact CB-CZ 3.86Å; R809-F946 HydrophobicContact CG-CE1 4.27Å; R809-F946 HydrophobicContact CG-CE2 4.35Å; R809-F946 HydrophobicContact CG-CZ 4.11Å; R809-F946 VanDerWaalsContact O-CB 3.32Å; R809-F946 WeakPolarHBondContact O-CB 3.16Å; C820-F946 HydrophobicContact CB-CB 4.33Å; E821-F946 CarbonylContact O-C 3.57Å; E821-F946 VanDerWaalsContact O-CA 3.28Å; E821-F946 WeakPolarHBondContact O-CA 3.4Å; E822-F946 HydrophobicContact CB-CD1 3.98Å; E822-F946 HydrophobicContact CB-CE1 3.48Å; E822-F946 VanDerWaalsContact CB-CE1 3.48Å; E822-F946 HydrophobicContact CB-CZ 3.93Å; E822-F946 HydrophobicContact CG-CD1 4.34Å; E822-F946 HydrophobicContact CG-CE1 3.61Å; E822-F946 HydrophobicContact CG-CE2 4.17Å; E822-F946 HydrophobicContact CG-CZ 3.47Å; E822-F946 VanDerWaalsContact CG-CZ 3.47Å; E822-F946 WeakPolarHBondContact OE1-CZ 3.36Å; V852-F946 CarbonylContact C-O 3.58Å; V852-F946 VanDerWaalsContact CA-O 3.27Å; V852-F946 WeakPolarHBondContact CA-O 3.44Å; V852-F946 WeakPolarHBondContact CB-O 3.49Å; T853-F946 PolarHBondContact N-O 2.85Å; T853-F946 WeakPolarHBondContact O-CB 3.26Å; T853-F946 PolarHBondContact O-N 2.88Å; T853-F946 WeakPolarHBondContact OG1-CB 3.32Å; T853-F946 PolarHBondContact OG1-O 2.62Å; N854-F946 HydrophobicContact CB-CD2 4.02Å
947	I	81.7	Confident	67.7	Low	10 Å²	10	50.3 Å²	50.3	5%	0.051	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.3	-179.2	-171	166.1	0	0	0	111.1	C820 E821 I823 V852 Q951 F958	C820-I947 CarbonylContact C-O 3.59Å; C820-I947 WeakPolarHBondContact CA-O 3.33Å; C820-I947 WeakPolarHBondContact CB-O 3.36Å; E821-I947 HydrophobicContact CG-CG2 3.68Å; E821-I947 PolarHBondContact N-O 2.96Å; E821-I947 PolarHBondContact O-N 3.45Å; I823-I947 HydrophobicContact CD1-CG2 3.8Å; I823-I947 HydrophobicContact CG1-CB 4.47Å; I823-I947 HydrophobicContact CG1-CG2 3.53Å; V852-I947 HydrophobicContact CG1-CB 3.93Å; V852-I947 HydrophobicContact CG1-CD1 4.23Å; V852-I947 HydrophobicContact CG1-CG1 4.06Å; I947-Q951 HydrophobicContact CD1-CB 4.22Å; I947-Q951 HydrophobicContact CG1-CB 4Å; I947-F958 HydrophobicContact CD1-CE2 4.21Å; I947-F958 HydrophobicContact CD1-CZ 4.02Å; I947-F958 HydrophobicContact CG2-CZ 3.89Å
948	D	73	Confident	66.7	Low	31 Å²	31	49.6 Å²	49.6	17%	0.166	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	134.7	-177.1	-159.5	-65.3	0	0	0	111.8	T819 R918 S950 Q951 K952	T819-D948 CarbonylContact O-C 3.59Å; T819-D948 WeakPolarHBondContact O-CA 3.34Å; R918-D948 IonicContact NH1-OD2 2.84Å; R918-D948 IonicContact NH2-OD2 2.69Å; R918-D948 PolarHBondContact NH2-OD2 2.69Å; D948-S950 PolarHBondContact O-N 2.61Å; D948-S950 WeakPolarHBondContact OD1-CB 3.38Å; D948-S950 PolarHBondContact OD1-N 2.98Å; D948-S950 PolarHBondContact OD1-OG 2.85Å; D948-Q951 HydrophobicContact CB-CB 4.41Å; D948-Q951 HydrophobicContact CB-CG 3.91Å; D948-Q951 WeakPolarHBondContact O-CA 3.43Å; D948-Q951 VanDerWaalsContact O-CB 3.28Å; D948-Q951 WeakPolarHBondContact O-CB 3.48Å; D948-Q951 PolarHBondContact O-N 3.08Å; D948-K952 PolarHBondContact O-N 3.22Å
949	K	70	Confident	65.7	Low	103 Å²	103	49.9 Å²	49.9	45%	0.448	25%	0.245	S	C	.	.	H	α-helix	trans	-65.8	-22.8	-178.8	-74.4	-175.7	-173.9	156.5	0	112.5	S818 T819 C820 Q951 K952	S818-K949 VanDerWaalsContact O-CD 3.27Å; S818-K949 WeakPolarHBondContact O-CD 3.07Å; S818-K949 VanDerWaalsContact O-CE 3.23Å; S818-K949 WeakPolarHBondContact O-CE 3.4Å; S818-K949 PolarHBondContact O-NZ 3.21Å; T819-K949 PolarHBondContact O-N 2.84Å; C820-K949 WeakPolarHBondContact O-CE 3.31Å; K949-Q951 VanDerWaalsContact C-N 3.25Å; K949-Q951 PolarHBondContact O-N 3.35Å; K949-K952 VanDerWaalsContact O-CB 3.3Å; K949-K952 WeakPolarHBondContact O-CB 3.09Å; K949-K952 PolarHBondContact O-N 3.48Å
950	S	61.3	Low	64.2	Low	83 Å²	83	50.4 Å²	50.4	58%	0.58	25%	0.249	S	C	*	.	H	α-helix	trans	-64.2	-32.5	168.6	64.5	0	0	0	0	112.1	D948 K952	D948-S950 PolarHBondContact O-N 2.61Å; D948-S950 WeakPolarHBondContact OD1-CB 3.38Å; D948-S950 PolarHBondContact OD1-N 2.98Å; D948-S950 PolarHBondContact OD1-OG 2.85Å; S950-K952 VanDerWaalsContact C-N 3.35Å
951	Q	56.4	Low	62.7	Low	84 Å²	84	46.7 Å²	46.7	39%	0.393	24%	0.237	S	C	.	.	H	α-helix	trans	-79.4	-14.1	174.6	-57.1	-78.6	-55.5	0	0	112.6	I947 D948 K949 N953 N954	I947-Q951 HydrophobicContact CD1-CB 4.22Å; I947-Q951 HydrophobicContact CG1-CB 4Å; D948-Q951 HydrophobicContact CB-CB 4.41Å; D948-Q951 HydrophobicContact CB-CG 3.91Å; D948-Q951 WeakPolarHBondContact O-CA 3.43Å; D948-Q951 VanDerWaalsContact O-CB 3.28Å; D948-Q951 WeakPolarHBondContact O-CB 3.48Å; D948-Q951 PolarHBondContact O-N 3.08Å; K949-Q951 VanDerWaalsContact C-N 3.25Å; K949-Q951 PolarHBondContact O-N 3.35Å; Q951-N953 PolarHBondContact O-N 3.21Å; Q951-N954 WeakPolarHBondContact O-CA 3.49Å; Q951-N954 WeakPolarHBondContact O-CB 3.45Å; Q951-N954 PolarHBondContact O-N 3.12Å
952	K	47.9	Very low	61.2	Low	95 Å²	95	48.1 Å²	48.1	41%	0.413	25%	0.247	S	C	.	.	H	α-helix	trans	-63.1	-40.1	179.8	-174.4	173.7	-166.6	165	0	113.2	E821 D948 K949 S950 N954 F958	E821-K952 WeakPolarHBondContact OE1-CD 3.26Å; E821-K952 WeakPolarHBondContact OE1-CE 3.41Å; E821-K952 VanDerWaalsContact OE1-CG 3.24Å; E821-K952 WeakPolarHBondContact OE1-CG 3.3Å; E821-K952 IonicContact OE1-NZ 3.81Å; E821-K952 WeakPolarHBondContact OE2-CE 2.99Å; E821-K952 IonicContact OE2-NZ 2.73Å; E821-K952 PolarHBondContact OE2-NZ 2.73Å; D948-K952 PolarHBondContact O-N 3.22Å; K949-K952 VanDerWaalsContact O-CB 3.3Å; K949-K952 WeakPolarHBondContact O-CB 3.09Å; K949-K952 PolarHBondContact O-N 3.48Å; S950-K952 VanDerWaalsContact C-N 3.35Å; K952-N954 PolarHBondContact O-N 3.34Å; K952-F958 WeakPolarHBondContact O-CD2 3.41Å
953	N	45	Very low	59.5	Low	143 Å²	143	47.8 Å²	47.8	77%	0.765	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	1.8	175.1	-73.5	-4.7	0	0	0	112.8	Q951 S955	Q951-N953 PolarHBondContact O-N 3.21Å; N953-S955 PolarHBondContact O-N 2.82Å
954	N	46.2	Very low	57.4	Low	60 Å²	60	46.3 Å²	46.3	32%	0.321	24%	0.242	S	C	.	.			trans	-75.9	73.8	169.3	-139.8	19.5	0	0	0	107.8	Q951 K952 L956 Y957 F1056	Q951-N954 WeakPolarHBondContact O-CA 3.49Å; Q951-N954 WeakPolarHBondContact O-CB 3.45Å; Q951-N954 PolarHBondContact O-N 3.12Å; K952-N954 PolarHBondContact O-N 3.34Å; N954-L956 VanDerWaalsContact C-N 3.34Å; N954-L956 PolarHBondContact O-N 2.93Å; N954-L956 VanDerWaalsContact O-N 3.13Å; N954-Y957 PolarHBondContact O-N 2.86Å; N954-F1056 VanDerWaalsContact C-CZ 3.4Å; N954-F1056 HydrophobicContact CB-CE1 3.85Å; N954-F1056 HydrophobicContact CB-CZ 4.09Å; N954-F1056 WeakPolarHBondContact O-CE1 3.2Å; N954-F1056 VanDerWaalsContact OD1-CE1 3.28Å; N954-F1056 WeakPolarHBondContact OD1-CE1 3.32Å; N954-F1056 WeakPolarHBondContact OD1-CZ 3.21Å
955	S	44	Very low	55.7	Low	48 Å²	48	51.8 Å²	51.8	34%	0.336	26%	0.259	S	S	.	.	H	α-helix	trans	-64.7	-27.6	-147.6	47.4	0	0	0	0	115.6	N953 Y957 F958 I959 F1053	N953-S955 PolarHBondContact O-N 2.82Å; S955-Y957 VanDerWaalsContact C-N 3.34Å; S955-Y957 PolarHBondContact O-N 3.21Å; S955-F958 PolarHBondContact O-N 2.59Å; S955-I959 WeakPolarHBondContact O-CD1 3.34Å; S955-I959 WeakPolarHBondContact O-CG1 3.44Å; S955-I959 PolarHBondContact O-N 2.83Å; S955-F1053 WeakPolarHBondContact OG-CE1 3.22Å
956	L	43.3	Very low	54.2	Low	12 Å²	12	55.3 Å²	55.3	6%	0.063	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-38.7	-174.6	-138.6	175.6	0	0	0	113.1	N954 F958 I959 A960 I1014 F1053 F1056 L1058	N954-L956 VanDerWaalsContact C-N 3.34Å; N954-L956 PolarHBondContact O-N 2.93Å; N954-L956 VanDerWaalsContact O-N 3.13Å; L956-F958 VanDerWaalsContact C-N 3.31Å; L956-F958 PolarHBondContact O-N 2.8Å; L956-I959 PolarHBondContact O-N 2.94Å; L956-A960 PolarHBondContact O-N 3.38Å; L956-I1014 HydrophobicContact CD2-CD1 3.58Å; L956-I1014 HydrophobicContact CG-CD1 4.23Å; L956-F1053 HydrophobicContact CB-CD1 3.67Å; L956-F1053 HydrophobicContact CB-CE1 3.86Å; L956-F1053 HydrophobicContact CD1-CB 3.62Å; L956-F1053 HydrophobicContact CD1-CD1 3.55Å; L956-F1053 HydrophobicContact CD1-CE1 4.42Å; L956-F1053 HydrophobicContact CD1-CG 3.73Å; L956-F1053 HydrophobicContact CG-CB 4.39Å; L956-F1053 HydrophobicContact CG-CD1 3.45Å; L956-F1053 VanDerWaalsContact CG-CD1 3.45Å; L956-F1053 HydrophobicContact CG-CE1 3.83Å; L956-F1053 HydrophobicContact CG-CG 3.95Å; L956-F1056 HydrophobicContact CB-CB 4.17Å; L956-F1056 HydrophobicContact CB-CD1 3.51Å; L956-F1056 HydrophobicContact CB-CD2 3.99Å; L956-F1056 HydrophobicContact CB-CE1 3.74Å; L956-F1056 HydrophobicContact CB-CE2 4.2Å; L956-F1056 HydrophobicContact CB-CG 3.64Å; L956-F1056 HydrophobicContact CB-CZ 4.08Å; L956-F1056 HydrophobicContact CD1-CB 3.46Å; L956-F1056 VanDerWaalsContact CD1-CB 3.46Å; L956-F1056 HydrophobicContact CD1-CD1 4.39Å; L956-F1056 HydrophobicContact CD1-CD2 3.95Å; L956-F1056 HydrophobicContact CD1-CG 3.72Å; L956-F1056 HydrophobicContact CG-CB 4.47Å; L956-F1056 HydrophobicContact CG-CG 4.35Å; L956-L1058 HydrophobicContact CD1-CD1 4.12Å; L956-L1058 HydrophobicContact CD1-CD2 3.59Å; L956-L1058 HydrophobicContact CD1-CG 3.6Å; L956-L1058 HydrophobicContact CD2-CD2 3.9Å; L956-L1058 HydrophobicContact CG-CD2 4.37Å
957	Y	42	Very low	52.5	Low	76 Å²	76	56.4 Å²	56.4	30%	0.298	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-39.8	-178.7	-148.9	-79.6	0	0	0	111.4	P849 N954 S955	P849-Y957 HydrophobicContact CB-CE1 4.35Å; P849-Y957 HydrophobicContact CB-CE2 3.92Å; P849-Y957 WeakPolarHBondContact CB-OH 3.27Å; P849-Y957 HydrophobicContact CG-CE1 3.83Å; P849-Y957 HydrophobicContact CG-CE2 4.3Å; P849-Y957 WeakPolarHBondContact CG-OH 3.41Å; N954-Y957 PolarHBondContact O-N 2.86Å; S955-Y957 VanDerWaalsContact C-N 3.34Å; S955-Y957 PolarHBondContact O-N 3.21Å
958	F	46.7	Very low	50.9	Low	43 Å²	43	60.3 Å²	60.3	19%	0.189	31%	0.308	C	S	.	.	H	α-helix	trans	-83.8	-29.6	-179.7	-69.7	-81.3	0	0	0	113.9	I823 I947 K952 S955 L956 A960 E961 S962	I823-F958 HydrophobicContact CD1-CE1 3.72Å; I823-F958 HydrophobicContact CD1-CZ 4.28Å; I823-F958 HydrophobicContact CG1-CE1 4.47Å; I947-F958 HydrophobicContact CD1-CE2 4.21Å; I947-F958 HydrophobicContact CD1-CZ 4.02Å; I947-F958 HydrophobicContact CG2-CZ 3.89Å; K952-F958 WeakPolarHBondContact O-CD2 3.41Å; S955-F958 PolarHBondContact O-N 2.59Å; L956-F958 VanDerWaalsContact C-N 3.31Å; L956-F958 PolarHBondContact O-N 2.8Å; F958-A960 VanDerWaalsContact C-N 3.3Å; F958-A960 PolarHBondContact O-N 2.75Å; F958-E961 PolarHBondContact O-N 3.06Å; F958-S962 WeakPolarHBondContact O-CB 3.07Å; F958-S962 PolarHBondContact O-N 3.33Å; F958-S962 PolarHBondContact O-OG 3.43Å
959	I	48.2	Very low	49.9	Very low	20 Å²	20	61.8 Å²	61.8	10%	0.103	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-43.8	175	-67	157	0	0	0	109.4	S955 L956 E961 S962 E963 P1012 I1014 F1053	S955-I959 WeakPolarHBondContact O-CD1 3.34Å; S955-I959 WeakPolarHBondContact O-CG1 3.44Å; S955-I959 PolarHBondContact O-N 2.83Å; L956-I959 PolarHBondContact O-N 2.94Å; I959-E961 PolarHBondContact O-N 2.91Å; I959-S962 CarbonylContact O-C 3.41Å; I959-S962 PolarHBondContact O-N 3.33Å; I959-S962 VanDerWaalsContact O-N 3.11Å; I959-S962 PolarHBondContact O-OG 3.34Å; I959-E963 HydrophobicContact CG2-CG 4.15Å; I959-E963 WeakPolarHBondContact O-CB 3.03Å; I959-E963 PolarHBondContact O-N 3.4Å; I959-P1012 HydrophobicContact CD1-CG 3.92Å; I959-I1014 HydrophobicContact CB-CD1 3.86Å; I959-I1014 HydrophobicContact CG2-CB 4.38Å; I959-I1014 HydrophobicContact CG2-CD1 3.45Å; I959-I1014 VanDerWaalsContact CG2-CD1 3.45Å; I959-I1014 HydrophobicContact CG2-CG1 3.7Å; I959-F1053 HydrophobicContact CD1-CE1 3.96Å; I959-F1053 HydrophobicContact CD1-CZ 3.55Å
960	A	43.6	Very low	49.4	Very low	13 Å²	13	63 Å²	63	11%	0.107	32%	0.318	C	S	.	.	H	α-helix	trans	-59.9	-43.7	177.3	0	0	0	0	0	113	L956 F958 S962 A964 F1016	L956-A960 PolarHBondContact O-N 3.38Å; F958-A960 VanDerWaalsContact C-N 3.3Å; F958-A960 PolarHBondContact O-N 2.75Å; A960-S962 VanDerWaalsContact C-N 3.3Å; A960-S962 PolarHBondContact O-N 2.85Å; A960-A964 WeakPolarHBondContact O-CB 3.39Å; A960-A964 PolarHBondContact O-N 3.23Å; A960-F1016 HydrophobicContact CB-CE1 4.32Å; A960-F1016 HydrophobicContact CB-CZ 4.13Å
961	E	46.1	Very low	48.8	Very low	41 Å²	41	63.2 Å²	63.2	19%	0.192	31%	0.312	C	S	.	.	H	α-helix	trans	-72	-21.8	176.4	-132.4	-165.4	-118	0	0	113.2	F958 I959 A964 R965	F958-E961 PolarHBondContact O-N 3.06Å; I959-E961 PolarHBondContact O-N 2.91Å; E961-A964 WeakPolarHBondContact O-CB 3.27Å; E961-R965 WeakPolarHBondContact O-CG 3.49Å; E961-R965 PolarHBondContact O-N 2.67Å; E961-R965 IonicContact OE2-CZ 3.99Å; E961-R965 IonicContact OE2-NE 2.68Å; E961-R965 IonicContact OE2-NH2 3.06Å; E961-R965 PolarHBondContact OE2-NH2 2.78Å
962	S	52.5	Low	48.4	Very low	31 Å²	31	62.5 Å²	62.5	22%	0.217	31%	0.31	C	S	.	.	H	α-helix	trans	-84	-38.5	173.8	80.7	0	0	0	0	113	F958 I959 A960 A964 R965 L966	F958-S962 WeakPolarHBondContact O-CB 3.07Å; F958-S962 PolarHBondContact O-N 3.33Å; F958-S962 PolarHBondContact O-OG 3.43Å; I959-S962 CarbonylContact O-C 3.41Å; I959-S962 PolarHBondContact O-N 3.33Å; I959-S962 VanDerWaalsContact O-N 3.11Å; I959-S962 PolarHBondContact O-OG 3.34Å; A960-S962 VanDerWaalsContact C-N 3.3Å; A960-S962 PolarHBondContact O-N 2.85Å; S962-A964 VanDerWaalsContact C-N 3.31Å; S962-R965 PolarHBondContact O-N 3.25Å; S962-L966 WeakPolarHBondContact O-CB 3.39Å; S962-L966 VanDerWaalsContact O-CG 3.26Å; S962-L966 WeakPolarHBondContact O-CG 3.43Å; S962-L966 PolarHBondContact O-N 2.98Å
963	E	50.7	Low	48.5	Very low	31 Å²	31	67.1 Å²	67.1	15%	0.145	33%	0.325	C	S	.	.	H	α-helix	trans	-65.6	-35.5	170.8	-77.9	-82.1	-151.8	0	0	110.3	I959 L966 A967 R970 F1016	I959-E963 HydrophobicContact CG2-CG 4.15Å; I959-E963 WeakPolarHBondContact O-CB 3.03Å; I959-E963 PolarHBondContact O-N 3.4Å; E963-L966 CarbonylContact O-C 3.5Å; E963-L966 PolarHBondContact O-N 3.48Å; E963-A967 WeakPolarHBondContact O-CB 3.41Å; E963-A967 PolarHBondContact O-N 2.02Å; E963-R970 IonicContact OE2-CZ 3.8Å; E963-R970 IonicContact OE2-NH1 2.97Å; E963-R970 IonicContact OE2-NH2 2.66Å; E963-R970 PolarHBondContact OE2-NH2 3.4Å; E963-F1016 HydrophobicContact CB-CE2 4.1Å; E963-F1016 HydrophobicContact CB-CZ 4.47Å
964	A	44.1	Very low	48.7	Very low	8 Å²	8	71 Å²	71	7%	0.066	33%	0.329	C	S	.	.	H	α-helix	trans	-51.1	-60.1	168.3	0	0	0	0	0	111.9	A960 E961 S962 L966 A967 E968 Y1065 L1066	A960-A964 WeakPolarHBondContact O-CB 3.39Å; A960-A964 PolarHBondContact O-N 3.23Å; E961-A964 WeakPolarHBondContact O-CB 3.27Å; S962-A964 VanDerWaalsContact C-N 3.31Å; A964-L966 VanDerWaalsContact C-N 3.31Å; A964-L966 PolarHBondContact O-N 3.19Å; A964-A967 PolarHBondContact O-N 3.46Å; A964-A967 VanDerWaalsContact O-N 3.15Å; A964-E968 WeakPolarHBondContact O-CB 3.34Å; A964-E968 PolarHBondContact O-N 2.99Å; A964-Y1065 HydrophobicContact CB-CE2 3.91Å; A964-L1066 HydrophobicContact CB-CD2 3.68Å
965	R	51.9	Low	48.6	Very low	134 Å²	134	72 Å²	72	51%	0.506	34%	0.338	S	S	.	.	H	α-helix	trans	-64.3	-36	-178.1	-64.1	175.1	-161.4	-147.8	3.8	111.7	E961 S962 D969	E961-R965 WeakPolarHBondContact O-CG 3.49Å; E961-R965 PolarHBondContact O-N 2.67Å; E961-R965 IonicContact OE2-CZ 3.99Å; E961-R965 IonicContact OE2-NE 2.68Å; E961-R965 IonicContact OE2-NH2 3.06Å; E961-R965 PolarHBondContact OE2-NH2 2.78Å; S962-R965 PolarHBondContact O-N 3.25Å; R965-D969 WeakPolarHBondContact O-CB 3.32Å; R965-D969 PolarHBondContact O-N 2.73Å
966	L	56.9	Low	48.1	Very low	81 Å²	81	72.9 Å²	72.9	42%	0.424	35%	0.354	S	S	.	.	H	α-helix	trans	-72.6	-29.7	175.1	-72.3	168.4	0	0	0	112.8	S962 E963 A964 R970	S962-L966 WeakPolarHBondContact O-CB 3.39Å; S962-L966 VanDerWaalsContact O-CG 3.26Å; S962-L966 WeakPolarHBondContact O-CG 3.43Å; S962-L966 PolarHBondContact O-N 2.98Å; E963-L966 CarbonylContact O-C 3.5Å; E963-L966 PolarHBondContact O-N 3.48Å; A964-L966 VanDerWaalsContact C-N 3.31Å; A964-L966 PolarHBondContact O-N 3.19Å; L966-R970 VanDerWaalsContact O-CB 3.23Å; L966-R970 WeakPolarHBondContact O-CB 3.24Å; L966-R970 WeakPolarHBondContact O-CG 3.47Å; L966-R970 PolarHBondContact O-N 2.93Å; L966-R970 PolarHBondContact O-NE 3Å
967	A	51.8	Low	47.8	Very low	37 Å²	37	82 Å²	82	31%	0.306	39%	0.388	S	S	.	.	H	α-helix	trans	-73.5	-44.3	172.8	0	0	0	0	0	110.6	E963 A964 R970 I971	E963-A967 WeakPolarHBondContact O-CB 3.41Å; E963-A967 PolarHBondContact O-N 2.02Å; A964-A967 PolarHBondContact O-N 3.46Å; A964-A967 VanDerWaalsContact O-N 3.15Å; A967-R970 CarbonylContact O-C 3.6Å; A967-R970 PolarHBondContact O-N 2.82Å; A967-I971 WeakPolarHBondContact O-CB 3.35Å; A967-I971 VanDerWaalsContact O-CG1 3.25Å; A967-I971 WeakPolarHBondContact O-CG1 3.45Å; A967-I971 PolarHBondContact O-N 2.77Å
968	E	47.2	Very low	47.2	Very low	93 Å²	93	83 Å²	83	44%	0.435	41%	0.406	S	S	.	.	H	α-helix	trans	-58.4	-47.3	173.9	-174.8	173	-145.3	0	0	111.6	A964 I971 N972	A964-E968 WeakPolarHBondContact O-CB 3.34Å; A964-E968 PolarHBondContact O-N 2.99Å; E968-I971 PolarHBondContact O-N 3Å; E968-N972 WeakPolarHBondContact O-CB 3.48Å; E968-N972 PolarHBondContact O-N 3.33Å; E968-N972 PolarHBondContact O-ND2 2.85Å
969	D	51.8	Low	46.7	Very low	62 Å²	62	89.9 Å²	89.9	33%	0.332	44%	0.438	S	S	.	.	H	α-helix	trans	-67	-37.9	175	-173	35.9	0	0	0	112.4	R965 I971 N972 R973	R965-D969 WeakPolarHBondContact O-CB 3.32Å; R965-D969 PolarHBondContact O-N 2.73Å; D969-I971 VanDerWaalsContact C-N 3.29Å; D969-I971 PolarHBondContact O-N 3.4Å; D969-N972 PolarHBondContact O-N 2.97Å; D969-R973 VanDerWaalsContact CG-NE 3.3Å; D969-R973 WeakPolarHBondContact O-CB 3.45Å; D969-R973 WeakPolarHBondContact O-CG 3.03Å; D969-R973 PolarHBondContact O-N 3.42Å; D969-R973 IonicContact OD1-CZ 2.72Å; D969-R973 IonicContact OD1-NE 3.91Å; D969-R973 PolarHBondContact OD1-NE 3.19Å; D969-R973 VanDerWaalsContact OD1-NE 3.1Å; D969-R973 IonicContact OD1-NH2 3.37Å; D969-R973 IonicContact OD2-CZ 3.59Å; D969-R973 IonicContact OD2-NE 3.17Å; D969-R973 PolarHBondContact OD2-NE 3.49Å; D969-R973 IonicContact OD2-NH2 3.48Å; D969-R973 PolarHBondContact OD2-NH2 3Å
970	R	60.4	Low	45.9	Very low	128 Å²	128	95.8 Å²	95.8	48%	0.483	47%	0.47	S	S	.	.	H	α-helix	trans	-62.1	-33.7	170.5	-80.5	175.4	-75	-168.4	-0.8	112.4	E963 L966 A967 R974	E963-R970 IonicContact OE2-CZ 3.8Å; E963-R970 IonicContact OE2-NH1 2.97Å; E963-R970 IonicContact OE2-NH2 2.66Å; E963-R970 PolarHBondContact OE2-NH2 3.4Å; L966-R970 VanDerWaalsContact O-CB 3.23Å; L966-R970 WeakPolarHBondContact O-CB 3.24Å; L966-R970 WeakPolarHBondContact O-CG 3.47Å; L966-R970 PolarHBondContact O-N 2.93Å; L966-R970 PolarHBondContact O-NE 3Å; A967-R970 CarbonylContact O-C 3.6Å; A967-R970 PolarHBondContact O-N 2.82Å; R970-R974 WeakPolarHBondContact O-CB 3.46Å; R970-R974 VanDerWaalsContact O-CG 3.28Å; R970-R974 WeakPolarHBondContact O-CG 3.26Å; R970-R974 PolarHBondContact O-N 3.39Å
971	I	48.2	Very low	45.2	Very low	88 Å²	88	103.4 Å²	103.4	45%	0.451	51%	0.507	S	S	.	.	H	α-helix	trans	-76.1	-44	176.8	-71.9	164.1	0	0	0	110.9	A967 E968 D969 R973 R974 T975	A967-I971 WeakPolarHBondContact O-CB 3.35Å; A967-I971 VanDerWaalsContact O-CG1 3.25Å; A967-I971 WeakPolarHBondContact O-CG1 3.45Å; A967-I971 PolarHBondContact O-N 2.77Å; E968-I971 PolarHBondContact O-N 3Å; D969-I971 VanDerWaalsContact C-N 3.29Å; D969-I971 PolarHBondContact O-N 3.4Å; I971-R973 VanDerWaalsContact C-N 3.32Å; I971-R973 PolarHBondContact O-N 3.44Å; I971-R974 CarbonylContact O-C 3.57Å; I971-R974 PolarHBondContact O-N 2.99Å; I971-T975 HydrophobicContact CG2-CG2 4.03Å; I971-T975 WeakPolarHBondContact O-CB 3.34Å; I971-T975 WeakPolarHBondContact O-CG2 3.29Å; I971-T975 PolarHBondContact O-N 3.44Å; I971-T975 PolarHBondContact O-OG1 2.04Å
972	N	47.2	Very low	44.3	Very low	69 Å²	69	109.2 Å²	109.2	37%	0.369	54%	0.539	S	S	.	.	H	α-helix	trans	-61.8	-40.5	176.8	-73.3	-36.5	0	0	0	111.6	E968 D969 R974 T975 G976	E968-N972 WeakPolarHBondContact O-CB 3.48Å; E968-N972 PolarHBondContact O-N 3.33Å; E968-N972 PolarHBondContact O-ND2 2.85Å; D969-N972 PolarHBondContact O-N 2.97Å; N972-R974 VanDerWaalsContact C-N 3.35Å; N972-R974 PolarHBondContact O-N 2.92Å; N972-T975 PolarHBondContact O-OG1 2.84Å; N972-G976 PolarHBondContact O-N 3.29Å
973	R	50.6	Low	43	Very low	192 Å²	192	113.3 Å²	113.3	73%	0.725	57%	0.567	S	S	*	*	H	α-helix	trans	-65.9	-31.1	171.9	-67.6	171.3	-167.4	-140.9	11.5	113.6	D969 I971	D969-R973 VanDerWaalsContact CG-NE 3.3Å; D969-R973 WeakPolarHBondContact O-CB 3.45Å; D969-R973 WeakPolarHBondContact O-CG 3.03Å; D969-R973 PolarHBondContact O-N 3.42Å; D969-R973 IonicContact OD1-CZ 2.72Å; D969-R973 IonicContact OD1-NE 3.91Å; D969-R973 PolarHBondContact OD1-NE 3.19Å; D969-R973 VanDerWaalsContact OD1-NE 3.1Å; D969-R973 IonicContact OD1-NH2 3.37Å; D969-R973 IonicContact OD2-CZ 3.59Å; D969-R973 IonicContact OD2-NE 3.17Å; D969-R973 PolarHBondContact OD2-NE 3.49Å; D969-R973 IonicContact OD2-NH2 3.48Å; D969-R973 PolarHBondContact OD2-NH2 3Å; I971-R973 VanDerWaalsContact C-N 3.32Å; I971-R973 PolarHBondContact O-N 3.44Å
974	R	49.3	Very low	41.8	Very low	225 Å²	225	117 Å²	117	85%	0.849	60%	0.597	S	S	*	*	H	α-helix	trans	-83.7	-25.2	177.4	-80.7	177.3	171	-175.8	-2.6	114.5	R970 I971 N972	R970-R974 WeakPolarHBondContact O-CB 3.46Å; R970-R974 VanDerWaalsContact O-CG 3.28Å; R970-R974 WeakPolarHBondContact O-CG 3.26Å; R970-R974 PolarHBondContact O-N 3.39Å; I971-R974 CarbonylContact O-C 3.57Å; I971-R974 PolarHBondContact O-N 2.99Å; N972-R974 VanDerWaalsContact C-N 3.35Å; N972-R974 PolarHBondContact O-N 2.92Å
975	T	43.8	Very low	41	Very low	81 Å²	81	127.4 Å²	127.4	50%	0.497	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.9	3.4	-175.4	53.2	0	0	0	0	113.8	I971 N972 R977	I971-T975 HydrophobicContact CG2-CG2 4.03Å; I971-T975 WeakPolarHBondContact O-CB 3.34Å; I971-T975 WeakPolarHBondContact O-CG2 3.29Å; I971-T975 PolarHBondContact O-N 3.44Å; I971-T975 PolarHBondContact O-OG1 2.04Å; N972-T975 PolarHBondContact O-OG1 2.84Å; T975-R977 PolarHBondContact O-N 2.92Å
976	G	35	Very low	39.9	Very low	66 Å²	66	130.6 Å²	130.6	68%	0.68	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.9	8.3	175.6	0	0	0	0	0	115.1	N972 S978	N972-G976 PolarHBondContact O-N 3.29Å; G976-S978 PolarHBondContact O-N 3.47Å
977	R	35.2	Very low	38.5	Very low	203 Å²	203	132.6 Å²	132.6	77%	0.766	67%	0.669	S	S	*	*			trans	-77	54.2	179.5	-80.5	-174.2	165	175.6	-3.8	113.1	T975 Q979	T975-R977 PolarHBondContact O-N 2.92Å; R977-Q979 PolarHBondContact O-N 3.17Å
978	S	31.1	Very low	37.4	Very low	97 Å²	97	137.5 Å²	137.5	68%	0.678	70%	0.695	S	S	*	*			trans	-82.5	97.3	166.6	172.5	0	0	0	0	109.8	G976	G976-S978 PolarHBondContact O-N 3.47Å
979	Q	36	Very low	36.5	Very low	188 Å²	188	140.6 Å²	140.6	88%	0.879	71%	0.714	S	S	*	*			trans	-113.3	130.1	165.3	-75.5	-162.4	-18.2	0	0	111.5	R977 I981	R977-Q979 PolarHBondContact O-N 3.17Å; Q979-I981 PolarHBondContact O-N 2.95Å
980	N	30.1	Very low	35.5	Very low	144 Å²	144	146.3 Å²	146.3	77%	0.77	74%	0.739	S	S	*	*			trans	-80.7	102.9	-168.2	-65.9	-52	0	0	0	112.3
981	I	28.9	Very low	34.1	Very low	173 Å²	173	148.6 Å²	148.6	89%	0.887	76%	0.76	S	S	*	*			trans	-124.3	87.3	153.6	-58	-175.5	0	0	0	108	Q979	Q979-I981 PolarHBondContact O-N 2.95Å
982	L	27.5	Very low	33	Very low	162 Å²	162	151.1 Å²	151.1	85%	0.848	77%	0.773	S	S	*	*			trans	-104.1	94.4	-169.8	178.5	78.7	0	0	0	111.1
983	S	25.1	Very low	32.3	Very low	117 Å²	117	156 Å²	156	82%	0.818	79%	0.793	S	S	*	*			trans	171.1	87.5	150.6	53.6	0	0	0	0	113.9
984	S	26.7	Very low	31.4	Very low	109 Å²	109	152.2 Å²	152.2	76%	0.762	79%	0.793	S	S	*	*	S	Bend	trans	-163.1	9.2	160.3	-161.6	0	0	0	0	116.5
985	Y	26.1	Very low	30.6	Very low	227 Å²	227	148.6 Å²	148.6	89%	0.89	80%	0.796	S	S	*	*			trans	-141.2	118.3	-176	-76.2	-85	0	0	0	112.3
986	K	28.5	Very low	30	Very low	201 Å²	201	152.6 Å²	152.6	87%	0.874	81%	0.809	S	S	*	*			trans	-171.3	164.6	154.9	-112.5	178.9	-178.8	-169.5	0	110.7
987	T	28	Very low	29.7	Very low	122 Å²	122	156.4 Å²	156.4	75%	0.748	81%	0.814	S	S	*	*			trans	57.3	92.8	175.5	61.5	0	0	0	0	117.6
988	V	29.2	Very low	29.5	Very low	140 Å²	140	154.5 Å²	154.5	85%	0.848	82%	0.819	S	S	*	*	S	Bend		-143	70.9	109.2	-170	0	0	0	0	108.2
989	D	28.4	Very low	29.4	Very low	158 Å²	158	154.8 Å²	154.8	85%	0.845	82%	0.819	S	S	*	*			trans	-141.7	65.4	175	-106.5	-36.9	0	0	0	106.9
990	E	30	Very low	29	Very low	182 Å²	182	154 Å²	154	85%	0.85	82%	0.821	S	S	*	*			trans	-177.6	73.2	173.8	-110.4	164.9	-151.1	0	0	112.3
991	L	30.9	Very low	29.4	Very low	176 Å²	176	156.6 Å²	156.6	92%	0.921	83%	0.828	S	S	*	*			trans	-149.7	82.4	158.7	-87.6	-170.9	0	0	0	110.6
992	I	26	Very low	29.3	Very low	142 Å²	142	156.7 Å²	156.7	73%	0.728	83%	0.829	S	S	*	*			trans	-138.3	154	173.4	-52.9	-179.9	0	0	0	107.7
993	H	31.9	Very low	29.3	Very low	171 Å²	171	153 Å²	153	79%	0.792	81%	0.811	S	S	*	*			trans	84.6	156.2	172.1	-51.6	-67.9	0	0	0	117.2
994	P	32.4	Very low	29.6	Very low	112 Å²	112	155.5 Å²	155.5	73%	0.727	82%	0.815	S	S	*	*			cis	-137.4	156.1	-38.6	35.3	-19.9	0	0	0	114.3
995	V	30.7	Very low	29.8	Very low	150 Å²	150	159.4 Å²	159.4	91%	0.909	81%	0.813	S	S	*	*			trans	-135.8	149.9	159.9	-177.2	0	0	0	0	108.9
996	Q	32.5	Very low	29.8	Very low	164 Å²	164	158.7 Å²	158.7	77%	0.766	81%	0.814	S	S	*	*			trans	-107.1	150.9	-163.2	-63.9	172.3	-59.8	0	0	114.2
997	N	29.3	Very low	29.7	Very low	146 Å²	146	156.8 Å²	156.8	78%	0.781	81%	0.812	S	S	*	*			trans	46.2	110.8	145.9	-56.7	-7.2	0	0	0	119.9
998	N	30.4	Very low	29.9	Very low	164 Å²	164	158.6 Å²	158.6	88%	0.877	81%	0.809	S	S	*	*				-148.8	123.5	116.2	-143.2	0	0	0	0	110.5
999	P	28.1	Very low	29.9	Very low	103 Å²	103	160 Å²	160	67%	0.669	81%	0.812	S	S	*	*			trans	-100.5	111.6	-174.7	34.5	-28.5	0	0	0	112.4
1000	N	28.8	Very low	30.4	Very low	172 Å²	172	158.5 Å²	158.5	92%	0.92	80%	0.8	S	S	*	*			trans	-171.6	51.1	155.8	-101.7	-15.8	0	0	0	113.5
1001	E	37.3	Very low	31	Very low	198 Å²	198	157 Å²	157	93%	0.925	79%	0.79	S	S	*	*			trans	-143.9	127.6	157.6	-122.1	172.4	-175.3	0	0	107.6
1002	L	27.6	Very low	31.8	Very low	174 Å²	174	149.7 Å²	149.7	91%	0.911	75%	0.754	S	S	*	*			trans	-124.8	148.4	-159.3	-156.3	76.9	0	0	0	112.3
1003	D	27.4	Very low	33.1	Very low	86 Å²	86	148.4 Å²	148.4	46%	0.46	75%	0.745	S	S	.	*			trans	69.9	81.8	167.1	-139.7	6.5	0	0	0	117.2	R1005	D1003-R1005 WeakPolarHBondContact OD1-CG 3.37Å; D1003-R1005 IonicContact OD1-CZ 2.68Å; D1003-R1005 IonicContact OD1-NE 2.73Å; D1003-R1005 PolarHBondContact OD1-NE 3.13Å; D1003-R1005 IonicContact OD1-NH2 3.31Å; D1003-R1005 PolarHBondContact OD1-NH2 3.06Å; D1003-R1005 IonicContact OD2-CZ 2.65Å; D1003-R1005 IonicContact OD2-NE 3.63Å; D1003-R1005 IonicContact OD2-NH2 3.88Å; D1003-R1005 PolarHBondContact OD2-NH2 3.12Å
1004	N	30.9	Very low	34.2	Very low	169 Å²	169	140.6 Å²	140.6	90%	0.904	71%	0.709	S	S	*	*				-145.5	126.7	114	-109.2	-61.9	0	0	0	113
1005	R	30.5	Very low	35.8	Very low	191 Å²	191	141.1 Å²	141.1	72%	0.721	70%	0.697	S	S	*	*			trans	-78.5	148.4	-155.1	-64.3	152.2	-157.5	-162.2	4.2	113.6	D1003 I1007	D1003-R1005 WeakPolarHBondContact OD1-CG 3.37Å; D1003-R1005 IonicContact OD1-CZ 2.68Å; D1003-R1005 IonicContact OD1-NE 2.73Å; D1003-R1005 PolarHBondContact OD1-NE 3.13Å; D1003-R1005 IonicContact OD1-NH2 3.31Å; D1003-R1005 PolarHBondContact OD1-NH2 3.06Å; D1003-R1005 IonicContact OD2-CZ 2.65Å; D1003-R1005 IonicContact OD2-NE 3.63Å; D1003-R1005 IonicContact OD2-NH2 3.88Å; D1003-R1005 PolarHBondContact OD2-NH2 3.12Å; R1005-I1007 PolarHBondContact O-N 3.27Å
1006	K	26.1	Very low	37.6	Very low	211 Å²	211	135.1 Å²	135.1	92%	0.917	66%	0.659	S	S	*	*			trans	-35.8	119.3	157.3	-61.2	165.7	179.2	171.2	0	111.9
1007	I	28	Very low	39.6	Very low	161 Å²	161	129 Å²	129	83%	0.826	63%	0.633	S	S	*	*			trans	-119.6	141	150.5	-60.6	-177.8	0	0	0	106.7	R1005	R1005-I1007 PolarHBondContact O-N 3.27Å
1008	K	30.5	Very low	41.8	Very low	161 Å²	161	123.9 Å²	123.9	70%	0.7	60%	0.602	S	S	*	*			trans	-69.6	151.6	-178.7	-64.7	171.8	-175.9	168.2	0	110.4	E1010	K1008-E1010 HydrophobicContact CB-CG 4.13Å; K1008-E1010 PolarHBondContact O-N 3.35Å
1009	N	29.8	Very low	43.6	Very low	170 Å²	170	120.4 Å²	120.4	91%	0.909	58%	0.577	S	S	*	*			trans	-71.2	64.7	164.6	-71.9	-18.2	0	0	0	111	K1011	N1009-K1011 PolarHBondContact O-N 3.42Å
1010	E	40.1	Very low	45.4	Very low	125 Å²	125	118.2 Å²	118.2	58%	0.584	56%	0.559	S	S	*	*			trans	-76.4	109.8	167.2	-74.7	179	-163.8	0	0	108.2	K1008	K1008-E1010 HydrophobicContact CB-CG 4.13Å; K1008-E1010 PolarHBondContact O-N 3.35Å
1011	K	42.3	Very low	46.7	Very low	150 Å²	150	110.3 Å²	110.3	65%	0.652	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-61.5	132	168.4	-71	-175.1	176.2	-174.9	0	108.3	N1009 Q1013	N1009-K1011 PolarHBondContact O-N 3.42Å; K1011-Q1013 PolarHBondContact O-N 3.19Å
1012	P	47.5	Very low	47.4	Very low	23 Å²	23	107.6 Å²	107.6	15%	0.149	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-64.7	132.1	177.7	26.8	-33	0	0	0	109.6	I959 I1014 E1049 F1053	I959-P1012 HydrophobicContact CD1-CG 3.92Å; P1012-I1014 PolarHBondContact O-N 2.9Å; P1012-E1049 HydrophobicContact CB-CB 4.3Å; P1012-E1049 VanDerWaalsContact CB-CD 3.44Å; P1012-E1049 HydrophobicContact CB-CG 4.06Å; P1012-E1049 WeakPolarHBondContact CB-OE2 3Å; P1012-F1053 HydrophobicContact CB-CE2 3.87Å; P1012-F1053 HydrophobicContact CB-CZ 4.39Å; P1012-F1053 HydrophobicContact CG-CE2 3.53Å; P1012-F1053 HydrophobicContact CG-CZ 3.55Å
1013	Q	52.2	Low	48.6	Very low	115 Å²	115	105 Å²	105	54%	0.537	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-79	122.1	-175.4	-71.1	-178.4	-25.7	0	0	110.2	K1011 Y1015 P1045	K1011-Q1013 PolarHBondContact O-N 3.19Å; Q1013-Y1015 HydrophobicContact CB-CD2 4.47Å; Q1013-Y1015 HydrophobicContact CB-CE2 3.87Å; Q1013-Y1015 PolarHBondContact OE1-OH 3.2Å; Q1013-P1045 WeakPolarHBondContact O-CD 3.44Å
1014	I	55.4	Low	50	Low	8 Å²	8	101.5 Å²	101.5	4%	0.041	47%	0.473	C	S	.	.			trans	-106	116.8	176.7	-57.8	-169.1	0	0	0	109.1	L956 I959 P1012 F1016 P1042 V1044	L956-I1014 HydrophobicContact CD2-CD1 3.58Å; L956-I1014 HydrophobicContact CG-CD1 4.23Å; I959-I1014 HydrophobicContact CB-CD1 3.86Å; I959-I1014 HydrophobicContact CG2-CB 4.38Å; I959-I1014 HydrophobicContact CG2-CD1 3.45Å; I959-I1014 VanDerWaalsContact CG2-CD1 3.45Å; I959-I1014 HydrophobicContact CG2-CG1 3.7Å; P1012-I1014 PolarHBondContact O-N 2.9Å; I1014-F1016 HydrophobicContact CG2-CE1 4.18Å; I1014-F1016 HydrophobicContact CG2-CZ 4.07Å; I1014-P1042 HydrophobicContact CG2-CB 3.81Å; I1014-V1044 HydrophobicContact CG1-CG2 4.36Å
1015	Y	66.2	Low	51	Low	123 Å²	123	98.2 Å²	98.2	48%	0.482	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	159	173.7	-66.9	-108.4	0	0	0	109.1	Q1013 P1042 L1043 P1045	Q1013-Y1015 HydrophobicContact CB-CD2 4.47Å; Q1013-Y1015 HydrophobicContact CB-CE2 3.87Å; Q1013-Y1015 PolarHBondContact OE1-OH 3.2Å; Y1015-P1042 CarbonylContact O-C 3.53Å; Y1015-P1042 WeakPolarHBondContact O-CA 3.39Å; Y1015-L1043 PolarHBondContact N-O 3.33Å; Y1015-L1043 PolarHBondContact O-N 3.17Å; Y1015-P1045 HydrophobicContact CD2-CG 3.43Å; Y1015-P1045 VanDerWaalsContact CD2-CG 3.43Å; Y1015-P1045 HydrophobicContact CE2-CG 3.44Å; Y1015-P1045 VanDerWaalsContact CE2-CG 3.44Å
1016	F	68.1	Low	52.2	Low	24 Å²	24	91.1 Å²	91.1	11%	0.105	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.8	178.1	-63	-78.4	0	0	0	109.9	A960 E963 I1014 Y1041 P1042 V1062 L1066 M1070	A960-F1016 HydrophobicContact CB-CE1 4.32Å; A960-F1016 HydrophobicContact CB-CZ 4.13Å; E963-F1016 HydrophobicContact CB-CE2 4.1Å; E963-F1016 HydrophobicContact CB-CZ 4.47Å; I1014-F1016 HydrophobicContact CG2-CE1 4.18Å; I1014-F1016 HydrophobicContact CG2-CZ 4.07Å; F1016-Y1041 CarbonylContact C-O 3.51Å; F1016-Y1041 WeakPolarHBondContact CA-O 3.04Å; F1016-P1042 HydrophobicContact CD1-CB 4.26Å; F1016-P1042 HydrophobicContact CE1-CB 4.06Å; F1016-V1062 HydrophobicContact CD1-CG2 3.91Å; F1016-V1062 HydrophobicContact CE1-CG2 4.13Å; F1016-L1066 HydrophobicContact CB-CB 4.27Å; F1016-L1066 VanDerWaalsContact CB-O 3.27Å; F1016-L1066 WeakPolarHBondContact CB-O 3.44Å; F1016-L1066 HydrophobicContact CD1-CB 3.84Å; F1016-L1066 HydrophobicContact CD1-CD1 4.27Å; F1016-L1066 HydrophobicContact CD1-CG 4.45Å; F1016-L1066 HydrophobicContact CD2-CB 4.14Å; F1016-L1066 HydrophobicContact CD2-CD2 4.14Å; F1016-L1066 HydrophobicContact CE1-CB 4.17Å; F1016-L1066 HydrophobicContact CE1-CD1 3.85Å; F1016-L1066 HydrophobicContact CE1-CD2 4.15Å; F1016-L1066 HydrophobicContact CE1-CG 4.28Å; F1016-L1066 HydrophobicContact CE2-CB 4.47Å; F1016-L1066 HydrophobicContact CE2-CD2 3.72Å; F1016-L1066 HydrophobicContact CG-CB 3.81Å; F1016-L1066 HydrophobicContact CZ-CB 4.47Å; F1016-L1066 HydrophobicContact CZ-CD1 4.17Å; F1016-L1066 HydrophobicContact CZ-CD2 3.71Å; F1016-L1066 HydrophobicContact CZ-CG 4.33Å; F1016-M1070 WeakPolarHBondContact O-CE 3.28Å
1017	V	74.5	Confident	53.6	Low	36 Å²	36	82.6 Å²	82.6	22%	0.218	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.1	-174.2	-57.3	0	0	0	0	112.1	R1019 Y1041 L1043 C1067 M1070	V1017-R1019 HydrophobicContact CG2-CG 4.35Å; V1017-Y1041 PolarHBondContact N-O 2.98Å; V1017-Y1041 PolarHBondContact O-N 2.69Å; V1017-L1043 HydrophobicContact CG1-CB 4.43Å; V1017-L1043 HydrophobicContact CG1-CD1 4.1Å; V1017-L1043 HydrophobicContact CG2-CB 4.45Å; V1017-L1043 HydrophobicContact CG2-CD1 4.03Å; V1017-C1067 PolarHBondContact N-SG 2.94Å; V1017-C1067 VanDerWaalsContact N-SG 3.43Å; V1017-M1070 HydrophobicContact CB-CE 4.4Å; V1017-M1070 HydrophobicContact CG1-CE 4.26Å
1018	W	76.5	Confident	54.5	Low	38 Å²	38	79.7 Å²	79.7	14%	0.144	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	135.5	170	-67.7	112	0	0	0	110.8	A1038 E1039 C1040 D1064 C1067 M1070 P1071 K1072 P1073	W1018-A1038 HydrophobicContact CE3-CB 4.33Å; W1018-E1039 WeakPolarHBondContact CA-O 3.46Å; W1018-C1040 HydrophobicContact CE3-CB 4.25Å; W1018-C1040 HydrophobicContact CZ3-CB 4.09Å; W1018-D1064 HydrophobicContact CH2-CB 3.79Å; W1018-D1064 VanDerWaalsContact CH2-CG 3.45Å; W1018-D1064 HydrophobicContact CZ3-CB 4.46Å; W1018-D1064 WeakPolarHBondContact CZ3-OD1 3.37Å; W1018-C1067 HydrophobicContact CD2-CB 3.74Å; W1018-C1067 HydrophobicContact CE3-CB 4.32Å; W1018-C1067 HydrophobicContact CG-CB 4.13Å; W1018-C1067 HydrophobicContact CH2-CB 4.22Å; W1018-C1067 HydrophobicContact CZ2-CB 3.65Å; W1018-C1067 PolarHBondContact NE1-O 2.64Å; W1018-M1070 PolarHBondContact NE1-O 3.4Å; W1018-P1071 VanDerWaalsContact CD1-O 3.25Å; W1018-K1072 HydrophobicContact CD2-CB 4.24Å; W1018-K1072 HydrophobicContact CD2-CG 4.02Å; W1018-K1072 HydrophobicContact CE3-CD 4.22Å; W1018-K1072 HydrophobicContact CE3-CG 3.88Å; W1018-K1072 HydrophobicContact CH2-CB 4.15Å; W1018-K1072 HydrophobicContact CH2-CD 3.52Å; W1018-K1072 HydrophobicContact CH2-CG 3.83Å; W1018-K1072 HydrophobicContact CZ2-CB 3.77Å; W1018-K1072 HydrophobicContact CZ2-CD 4.06Å; W1018-K1072 HydrophobicContact CZ2-CG 3.95Å; W1018-K1072 HydrophobicContact CZ3-CD 3.62Å; W1018-K1072 HydrophobicContact CZ3-CG 3.8Å; W1018-P1073 VanDerWaalsContact CB-CD 3.4Å; W1018-P1073 HydrophobicContact CB-CG 3.8Å; W1018-P1073 HydrophobicContact CG-CG 4.41Å
1019	R	67.7	Low	55.3	Low	90 Å²	90	75.9 Å²	75.9	34%	0.34	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	152.3	166.4	-52.5	-177.7	179	-169.7	0.7	109.3	V1017 A1038 E1039 Y1041	V1017-R1019 HydrophobicContact CG2-CG 4.35Å; R1019-A1038 CarbonylContact O-C 3.4Å; R1019-A1038 VanDerWaalsContact O-CA 3.25Å; R1019-A1038 WeakPolarHBondContact O-CA 3.47Å; R1019-A1038 WeakPolarHBondContact O-CB 3.38Å; R1019-E1039 PolarHBondContact N-O 3.12Å; R1019-E1039 PolarHBondContact O-N 3.38Å; R1019-Y1041 HydrophobicContact CB-CD2 3.66Å; R1019-Y1041 HydrophobicContact CB-CE2 3.67Å; R1019-Y1041 HydrophobicContact CG-CD2 3.69Å; R1019-Y1041 HydrophobicContact CG-CE2 4.18Å; R1019-Y1041 HydrophobicContact CG-CG 4.2Å
1020	I	65.5	Low	56.5	Low	57 Å²	57	70.9 Å²	70.9	29%	0.292	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.6	172.6	-65.6	151	0	0	0	107.7	E1022 V1076	I1020-E1022 PolarHBondContact O-N 3.12Å; I1020-V1076 HydrophobicContact CD1-CG2 3.74Å; I1020-V1076 HydrophobicContact CG1-CG2 4.17Å; I1020-V1076 HydrophobicContact CG2-CB 4.41Å; I1020-V1076 HydrophobicContact CG2-CG2 4.18Å
1021	S	56.5	Low	56.9	Low	6 Å²	6	68.2 Å²	68.2	4%	0.042	37%	0.37	C	S	.	.			trans	-54.2	123.2	-179.4	-44.7	0	0	0	0	110.3	L1023 P1037 E1039	S1021-L1023 PolarHBondContact O-N 3.41Å; S1021-P1037 PolarHBondContact N-O 2.99Å; S1021-P1037 VanDerWaalsContact N-O 3.1Å; S1021-P1037 PolarHBondContact OG-O 2.87Å; S1021-P1037 VanDerWaalsContact OG-O 3.12Å; S1021-E1039 WeakPolarHBondContact OG-CG 3.23Å; S1021-E1039 PolarHBondContact OG-OE1 2.77Å
1022	E	53	Low	57.6	Low	142 Å²	142	63.4 Å²	63.4	66%	0.664	36%	0.362	S	S	*	.	S	Bend	trans	-75	-6.4	-176	-65.8	-178.2	-178.5	0	0	113.2	I1020 Y1083	I1020-E1022 PolarHBondContact O-N 3.12Å; E1022-Y1083 WeakPolarHBondContact O-CD1 3.32Å; E1022-Y1083 WeakPolarHBondContact O-CE1 3.21Å
1023	L	51.2	Low	58.7	Low	118 Å²	118	68.2 Å²	68.2	62%	0.618	39%	0.387	S	S	*	.	S	Bend	trans	-137.6	129.1	178.6	-71.4	165.6	0	0	0	110.6	S1021	S1021-L1023 PolarHBondContact O-N 3.41Å
1024	P	57	Low	59	Low	14 Å²	14	63.9 Å²	63.9	9%	0.091	37%	0.368	C	S	.	.			trans	-84.4	120.4	175.9	-5.2	22.9	0	0	0	111.4	G1026 C1027 V1034 T1036 Y1083	P1024-G1026 PolarHBondContact O-N 2.99Å; P1024-G1026 VanDerWaalsContact O-N 3.11Å; P1024-C1027 PolarHBondContact O-N 3.5Å; P1024-C1027 VanDerWaalsContact O-N 3.16Å; P1024-V1034 HydrophobicContact CB-CB 3.85Å; P1024-V1034 HydrophobicContact CB-CG1 3.5Å; P1024-V1034 VanDerWaalsContact CB-CG1 3.5Å; P1024-T1036 HydrophobicContact CB-CG2 3.64Å; P1024-T1036 HydrophobicContact CG-CG2 3.72Å; P1024-Y1083 HydrophobicContact CB-CE2 4.44Å; P1024-Y1083 VanDerWaalsContact CD-CD2 3.48Å; P1024-Y1083 HydrophobicContact CG-CD1 4.14Å; P1024-Y1083 HydrophobicContact CG-CD2 3.21Å; P1024-Y1083 HydrophobicContact CG-CE1 4.03Å; P1024-Y1083 HydrophobicContact CG-CE2 3.06Å; P1024-Y1083 HydrophobicContact CG-CG 3.7Å; P1024-Y1083 VanDerWaalsContact CG-CZ 3.45Å
1025	T	52.6	Low	59.6	Low	100 Å²	100	67 Å²	67	61%	0.613	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.1	175.2	51.6	0	0	0	0	113.9	L883	L883-T1025 HydrophobicContact CD1-CG2 4.22Å
1026	G	56.3	Low	59.2	Low	42 Å²	42	61.2 Å²	61.2	43%	0.433	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.7	178.4	0	0	0	0	0	116.1	P1024 T1028	P1024-G1026 PolarHBondContact O-N 2.99Å; P1024-G1026 VanDerWaalsContact O-N 3.11Å; G1026-T1028 PolarHBondContact O-N 3.43Å
1027	C	55.7	Low	59.2	Low	32 Å²	32	63 Å²	63	22%	0.216	38%	0.379	C	S	.	.			trans	-80.2	105.6	-178.8	-68.8	0	0	0	0	110.9	P1024 C1080	P1024-C1027 PolarHBondContact O-N 3.5Å; P1024-C1027 VanDerWaalsContact O-N 3.16Å; C1027-C1080 VanDerWaalsContact CA-SG 3.51Å; C1027-C1080 HydrophobicContact CB-CB 3.79Å; C1027-C1080 WeakPolarHBondContact CB-SG 3.45Å; C1027-C1080 WeakPolarHBondContact SG-CA 3.32Å; C1027-C1080 WeakPolarHBondContact SG-CB 3.11Å; C1027-C1080 CovalentContact SG-SG 2.05Å; C1027-C1080 PolarHBondContact SG-SG 3Å
1028	T	46.6	Very low	59	Low	100 Å²	100	61.4 Å²	61.4	61%	0.613	37%	0.369	S	S	*	.	S	Bend	trans	-97.8	-12.3	174.9	51.3	0	0	0	0	113.4	G1026	G1026-T1028 PolarHBondContact O-N 3.43Å
1029	T	46.4	Very low	58.7	Low	80 Å²	80	62 Å²	62	49%	0.491	37%	0.374	S	S	.	.	S	Bend	trans	-143.8	171	173.1	72.1	0	0	0	0	109	A1031 C1080	T1029-A1031 PolarHBondContact O-N 2.67Å; T1029-A1031 VanDerWaalsContact O-N 3.14Å; T1029-A1031 PolarHBondContact OG1-N 2.91Å; T1029-A1031 VanDerWaalsContact OG1-N 3.13Å; T1029-A1031 PolarHBondContact OG1-O 3.22Å; T1029-C1080 WeakPolarHBondContact O-CB 3.46Å
1030	C	54.5	Low	59	Low	65 Å²	65	57.7 Å²	57.7	44%	0.439	36%	0.358	S	S	.	.	S	Bend	trans	-72.1	8.5	170.5	-80.9	0	0	0	0	114.5	S1081 C1084	C1030-S1081 PolarHBondContact O-N 2.87Å; C1030-C1084 WeakPolarHBondContact CA-SG 3.49Å; C1030-C1084 HydrophobicContact CB-CB 4.5Å; C1030-C1084 WeakPolarHBondContact CB-SG 3.35Å; C1030-C1084 WeakPolarHBondContact SG-CB 3.31Å; C1030-C1084 CovalentContact SG-SG 2.03Å; C1030-C1084 PolarHBondContact SG-SG 3.18Å
1031	A	48.5	Very low	59.2	Low	70 Å²	70	56.1 Å²	56.1	58%	0.579	35%	0.348	S	S	*	.	S	Bend	trans	-118.8	154.1	178.7	0	0	0	0	0	112	T1029	T1029-A1031 PolarHBondContact O-N 2.67Å; T1029-A1031 VanDerWaalsContact O-N 3.14Å; T1029-A1031 PolarHBondContact OG1-N 2.91Å; T1029-A1031 VanDerWaalsContact OG1-N 3.13Å; T1029-A1031 PolarHBondContact OG1-O 3.22Å
1032	G	58.2	Low	59.5	Low	48 Å²	48	56.3 Å²	56.3	50%	0.495	35%	0.349	S	S	.	.	S	Bend	trans	94.6	179.6	-177	0	0	0	0	0	114	C1080	G1032-C1080 WeakPolarHBondContact O-CB 3.44Å; G1032-C1080 PolarHBondContact O-N 3.47Å
1033	N	69.5	Low	60	Low	124 Å²	124	52 Å²	52	66%	0.663	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.1	-178.3	-62.8	-13.9	0	0	0	110	R1079	N1033-R1079 WeakPolarHBondContact OD1-CG 3.39Å
1034	V	60	Low	60.7	Low	25 Å²	25	46.5 Å²	46.5	15%	0.152	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.8	-179.5	176	0	0	0	0	111.2	P1024 R1078 C1080	P1024-V1034 HydrophobicContact CB-CB 3.85Å; P1024-V1034 HydrophobicContact CB-CG1 3.5Å; P1024-V1034 VanDerWaalsContact CB-CG1 3.5Å; V1034-R1078 PolarHBondContact N-O 3.05Å; V1034-R1078 PolarHBondContact O-N 3.35Å; V1034-R1078 VanDerWaalsContact O-O 3.05Å; V1034-C1080 VanDerWaalsContact CG2-SG 3.59Å
1035	T	67.4	Low	60.9	Low	74 Å²	74	48.7 Å²	48.7	45%	0.454	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.2	170.3	39.5	0	0	0	0	110.7	F1077	T1035-F1077 HydrophobicContact CG2-CD1 3.49Å; T1035-F1077 VanDerWaalsContact CG2-CD1 3.49Å; T1035-F1077 HydrophobicContact CG2-CD2 4.28Å; T1035-F1077 HydrophobicContact CG2-CE1 3.38Å; T1035-F1077 HydrophobicContact CG2-CE2 4.19Å; T1035-F1077 HydrophobicContact CG2-CG 3.96Å; T1035-F1077 HydrophobicContact CG2-CZ 3.76Å
1036	T	57.6	Low	61.6	Low	1 Å²	1	48.7 Å²	48.7	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.5	176.8	44.4	0	0	0	0	111.2	P1024 S1075 V1076 Y1083	P1024-T1036 HydrophobicContact CB-CG2 3.64Å; P1024-T1036 HydrophobicContact CG-CG2 3.72Å; T1036-S1075 CarbonylContact O-C 3.58Å; T1036-S1075 WeakPolarHBondContact O-CA 3.31Å; T1036-S1075 VanDerWaalsContact O-CB 3.29Å; T1036-S1075 WeakPolarHBondContact O-CB 3.19Å; T1036-V1076 PolarHBondContact N-O 3.18Å; T1036-V1076 PolarHBondContact O-N 3.47Å; T1036-V1076 PolarHBondContact OG1-O 3.44Å; T1036-Y1083 VanDerWaalsContact CG2-OH 3.24Å; T1036-Y1083 WeakPolarHBondContact CG2-OH 3.39Å; T1036-Y1083 PolarHBondContact OG1-OH 3.31Å
1037	P	67.7	Low	61.7	Low	62 Å²	62	51.8 Å²	51.8	40%	0.403	31%	0.314	S	S	.	.			trans	-78.1	175.2	172.1	34.7	-34.9	0	0	0	111.4	S1021	S1021-P1037 PolarHBondContact N-O 2.99Å; S1021-P1037 VanDerWaalsContact N-O 3.1Å; S1021-P1037 PolarHBondContact OG-O 2.87Å; S1021-P1037 VanDerWaalsContact OG-O 3.12Å
1038	A	70.9	Confident	61.6	Low	1 Å²	1	54.3 Å²	54.3	1%	0.008	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	153.1	162.2	0	0	0	0	0	111.2	W1018 R1019 K1072 P1073	W1018-A1038 HydrophobicContact CE3-CB 4.33Å; R1019-A1038 CarbonylContact O-C 3.4Å; R1019-A1038 VanDerWaalsContact O-CA 3.25Å; R1019-A1038 WeakPolarHBondContact O-CA 3.47Å; R1019-A1038 WeakPolarHBondContact O-CB 3.38Å; A1038-K1072 HydrophobicContact CB-CG 4.17Å; A1038-K1072 WeakPolarHBondContact O-CE 3.5Å; A1038-K1072 PolarHBondContact O-NZ 3.4Å; A1038-P1073 HydrophobicContact CB-CB 4.04Å; A1038-P1073 HydrophobicContact CB-CG 4.07Å
1039	E	70.1	Confident	62.2	Low	51 Å²	51	50.6 Å²	50.6	24%	0.238	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	156.4	-179	-67.6	169.6	-166.3	0	0	109.7	W1018 R1019 S1021 Y1041 P1061	W1018-E1039 WeakPolarHBondContact CA-O 3.46Å; R1019-E1039 PolarHBondContact N-O 3.12Å; R1019-E1039 PolarHBondContact O-N 3.38Å; S1021-E1039 WeakPolarHBondContact OG-CG 3.23Å; S1021-E1039 PolarHBondContact OG-OE1 2.77Å; E1039-Y1041 HydrophobicContact CB-CE2 3.86Å; E1039-Y1041 WeakPolarHBondContact O-CD2 3.27Å; E1039-P1061 HydrophobicContact CB-CB 3.83Å; E1039-P1061 HydrophobicContact CG-CB 4.37Å; E1039-P1061 WeakPolarHBondContact OE2-CB 3.4Å; E1039-P1061 WeakPolarHBondContact OE2-CG 3.37Å
1040	C	73.1	Confident	62.8	Low	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	135	-176.6	-177	0	0	0	0	111.4	W1018 P1061 V1062 C1067	W1018-C1040 HydrophobicContact CE3-CB 4.25Å; W1018-C1040 HydrophobicContact CZ3-CB 4.09Å; C1040-P1061 CarbonylContact O-C 3.59Å; C1040-P1061 WeakPolarHBondContact O-CA 3.31Å; C1040-V1062 HydrophobicContact CB-CG2 4.14Å; C1040-V1062 WeakPolarHBondContact O-CG2 3.26Å; C1040-V1062 PolarHBondContact O-N 2.95Å; C1040-C1067 WeakPolarHBondContact CA-SG 3.44Å; C1040-C1067 HydrophobicContact CB-CB 3.74Å; C1040-C1067 WeakPolarHBondContact CB-SG 3.31Å; C1040-C1067 WeakPolarHBondContact SG-CB 3.47Å; C1040-C1067 PolarHBondContact SG-N 2.82Å; C1040-C1067 CovalentContact SG-SG 2.03Å; C1040-C1067 PolarHBondContact SG-SG 2.8Å
1041	Y	69.8	Low	62.7	Low	23 Å²	23	52 Å²	52	9%	0.09	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142	-177	-71.4	-101.2	0	0	0	112.6	F1016 V1017 R1019 E1039 L1059	F1016-Y1041 CarbonylContact C-O 3.51Å; F1016-Y1041 WeakPolarHBondContact CA-O 3.04Å; V1017-Y1041 PolarHBondContact N-O 2.98Å; V1017-Y1041 PolarHBondContact O-N 2.69Å; R1019-Y1041 HydrophobicContact CB-CD2 3.66Å; R1019-Y1041 HydrophobicContact CB-CE2 3.67Å; R1019-Y1041 HydrophobicContact CG-CD2 3.69Å; R1019-Y1041 HydrophobicContact CG-CE2 4.18Å; R1019-Y1041 HydrophobicContact CG-CG 4.2Å; E1039-Y1041 HydrophobicContact CB-CE2 3.86Å; E1039-Y1041 WeakPolarHBondContact O-CD2 3.27Å; Y1041-L1059 WeakPolarHBondContact CE1-O 3.4Å
1042	P	63	Low	62.7	Low	11 Å²	11	55.5 Å²	55.5	7%	0.071	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	149.5	172.3	32.2	-34.6	0	0	0	111.9	I1014 Y1015 F1016 L1058 V1062	I1014-P1042 HydrophobicContact CG2-CB 3.81Å; Y1015-P1042 CarbonylContact O-C 3.53Å; Y1015-P1042 WeakPolarHBondContact O-CA 3.39Å; F1016-P1042 HydrophobicContact CD1-CB 4.26Å; F1016-P1042 HydrophobicContact CE1-CB 4.06Å; P1042-L1058 HydrophobicContact CB-CD2 4.13Å; P1042-L1058 HydrophobicContact CG-CD2 3.86Å; P1042-V1062 HydrophobicContact CG-CG1 4.47Å
1043	L	65	Low	62.3	Low	51 Å²	51	53.4 Å²	53.4	27%	0.267	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	111.2	-176.6	-171.8	140.8	0	0	0	110.8	Y1015 V1017	Y1015-L1043 PolarHBondContact N-O 3.33Å; Y1015-L1043 PolarHBondContact O-N 3.17Å; V1017-L1043 HydrophobicContact CG1-CB 4.43Å; V1017-L1043 HydrophobicContact CG1-CD1 4.1Å; V1017-L1043 HydrophobicContact CG2-CB 4.45Å; V1017-L1043 HydrophobicContact CG2-CD1 4.03Å
1044	V	64.9	Low	61	Low	3 Å²	3	51.9 Å²	51.9	2%	0.018	29%	0.286	C	S	.	.			trans	-86.8	121.7	171.3	-178.4	0	0	0	0	108.5	I1014 E1049 R1050 F1053 L1058	I1014-V1044 HydrophobicContact CG1-CG2 4.36Å; V1044-E1049 HydrophobicContact CG1-CB 3.7Å; V1044-R1050 HydrophobicContact CG1-CB 4.36Å; V1044-R1050 PolarHBondContact O-NE 3.12Å; V1044-R1050 PolarHBondContact O-NH2 3.12Å; V1044-F1053 HydrophobicContact CG1-CD2 4.24Å; V1044-F1053 HydrophobicContact CG2-CD2 3.91Å; V1044-L1058 HydrophobicContact CG2-CD1 4.4Å; V1044-L1058 HydrophobicContact CG2-CD2 4.24Å
1045	P	60.5	Low	60	Low	59 Å²	59	58.9 Å²	58.9	38%	0.383	32%	0.318	S	S	.	.			trans	-79.4	-37.3	-174.2	-15.2	29.1	0	0	0	115.1	Q1013 Y1015	Q1013-P1045 WeakPolarHBondContact O-CD 3.44Å; Y1015-P1045 HydrophobicContact CD2-CG 3.43Å; Y1015-P1045 VanDerWaalsContact CD2-CG 3.43Å; Y1015-P1045 HydrophobicContact CE2-CG 3.44Å; Y1015-P1045 VanDerWaalsContact CE2-CG 3.44Å
1046	K	67.6	Low	58.9	Low	100 Å²	100	57.2 Å²	57.2	44%	0.435	30%	0.304	S	S	.	.			trans	-87.4	127.9	-176.4	-69.2	158.2	173.6	179.3	0	110.3	S1048 E1049 R1050	K1046-S1048 VanDerWaalsContact C-N 3.26Å; K1046-S1048 PolarHBondContact O-N 2.93Å; K1046-E1049 HydrophobicContact CB-CB 4.24Å; K1046-E1049 HydrophobicContact CB-CG 4.16Å; K1046-E1049 HydrophobicContact CD-CG 4.07Å; K1046-E1049 WeakPolarHBondContact CD-OE1 3.42Å; K1046-E1049 WeakPolarHBondContact CD-OE2 3.4Å; K1046-E1049 WeakPolarHBondContact CE-OE1 3.47Å; K1046-E1049 IonicContact NZ-OE1 2.69Å; K1046-E1049 PolarHBondContact NZ-OE1 3.49Å; K1046-E1049 PolarHBondContact O-N 3.46Å; K1046-E1049 VanDerWaalsContact O-N 3.12Å; K1046-R1050 PolarHBondContact O-N 2.82Å
1047	D	59.7	Low	58.1	Low	107 Å²	107	62.1 Å²	62.1	57%	0.572	33%	0.33	S	S	*	.	H	α-helix	trans	-66.7	-26.7	179.3	-67.4	-61.2	0	0	0	113.7	E1049 R1050 S1051	D1047-E1049 VanDerWaalsContact C-N 3.34Å; D1047-R1050 PolarHBondContact O-N 3.19Å; D1047-R1050 IonicContact OD1-CZ 3.19Å; D1047-R1050 IonicContact OD1-NE 4Å; D1047-R1050 IonicContact OD1-NH1 3.03Å; D1047-R1050 PolarHBondContact OD1-NH1 3.11Å; D1047-S1051 PolarHBondContact O-N 2.88Å
1048	S	52.6	Low	57.3	Low	85 Å²	85	60.8 Å²	60.8	59%	0.594	32%	0.32	S	S	*	.	H	α-helix	trans	-67.3	-29.8	172.4	53.5	0	0	0	0	113.9	K1046 S1051	K1046-S1048 VanDerWaalsContact C-N 3.26Å; K1046-S1048 PolarHBondContact O-N 2.93Å; S1048-S1051 PolarHBondContact O-OG 3.3Å; S1048-S1051 VanDerWaalsContact O-OG 3.05Å
1049	E	59.3	Low	56.3	Low	23 Å²	23	67.1 Å²	67.1	11%	0.107	35%	0.353	C	S	.	.	H	α-helix	trans	-84	-38.4	172.5	-66.9	172.3	-174.7	0	0	109.7	P1012 V1044 K1046 D1047 S1051 Q1052 F1053	P1012-E1049 HydrophobicContact CB-CB 4.3Å; P1012-E1049 VanDerWaalsContact CB-CD 3.44Å; P1012-E1049 HydrophobicContact CB-CG 4.06Å; P1012-E1049 WeakPolarHBondContact CB-OE2 3Å; V1044-E1049 HydrophobicContact CG1-CB 3.7Å; K1046-E1049 HydrophobicContact CB-CB 4.24Å; K1046-E1049 HydrophobicContact CB-CG 4.16Å; K1046-E1049 HydrophobicContact CD-CG 4.07Å; K1046-E1049 WeakPolarHBondContact CD-OE1 3.42Å; K1046-E1049 WeakPolarHBondContact CD-OE2 3.4Å; K1046-E1049 WeakPolarHBondContact CE-OE1 3.47Å; K1046-E1049 IonicContact NZ-OE1 2.69Å; K1046-E1049 PolarHBondContact NZ-OE1 3.49Å; K1046-E1049 PolarHBondContact O-N 3.46Å; K1046-E1049 VanDerWaalsContact O-N 3.12Å; D1047-E1049 VanDerWaalsContact C-N 3.34Å; E1049-S1051 PolarHBondContact O-N 3.07Å; E1049-Q1052 WeakPolarHBondContact O-CB 3.46Å; E1049-Q1052 PolarHBondContact O-N 2.98Å; E1049-Q1052 VanDerWaalsContact O-N 3.14Å; E1049-F1053 HydrophobicContact CB-CD2 4.46Å; E1049-F1053 HydrophobicContact CB-CE2 4.44Å; E1049-F1053 WeakPolarHBondContact O-CD2 3.26Å; E1049-F1053 PolarHBondContact O-N 3.26Å; E1049-F1053 VanDerWaalsContact O-N 3.07Å
1050	R	59.5	Low	55.2	Low	103 Å²	103	69.3 Å²	69.3	39%	0.389	36%	0.359	S	S	.	.	H	α-helix	trans	-57.9	-33.6	176	-170.9	179.4	-70.2	163.3	-6.5	112.8	V1044 K1046 D1047 F1053 S1054	V1044-R1050 HydrophobicContact CG1-CB 4.36Å; V1044-R1050 PolarHBondContact O-NE 3.12Å; V1044-R1050 PolarHBondContact O-NH2 3.12Å; K1046-R1050 PolarHBondContact O-N 2.82Å; D1047-R1050 PolarHBondContact O-N 3.19Å; D1047-R1050 IonicContact OD1-CZ 3.19Å; D1047-R1050 IonicContact OD1-NE 4Å; D1047-R1050 IonicContact OD1-NH1 3.03Å; D1047-R1050 PolarHBondContact OD1-NH1 3.11Å; R1050-F1053 CarbonylContact O-C 3.5Å; R1050-F1053 PolarHBondContact O-N 3.36Å; R1050-S1054 PolarHBondContact O-N 2.03Å
1051	S	52.1	Low	54.2	Low	72 Å²	72	71.7 Å²	71.7	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-68.7	-41.5	175.6	67	0	0	0	0	112.5	D1047 S1048 E1049 F1053 S1054	D1047-S1051 PolarHBondContact O-N 2.88Å; S1048-S1051 PolarHBondContact O-OG 3.3Å; S1048-S1051 VanDerWaalsContact O-OG 3.05Å; E1049-S1051 PolarHBondContact O-N 3.07Å; S1051-F1053 PolarHBondContact O-N 3.17Å; S1051-S1054 VanDerWaalsContact O-CB 3.29Å; S1051-S1054 WeakPolarHBondContact O-CB 3.43Å; S1051-S1054 PolarHBondContact O-N 3.22Å; S1051-S1054 PolarHBondContact O-OG 2.98Å
1052	Q	49.1	Very low	53.5	Low	142 Å²	142	72.2 Å²	72.2	66%	0.664	38%	0.38	S	S	*	.	H	α-helix	trans	-61.4	-29.3	171.3	-63.7	-177.8	-23.8	0	0	112	E1049	E1049-Q1052 WeakPolarHBondContact O-CB 3.46Å; E1049-Q1052 PolarHBondContact O-N 2.98Å; E1049-Q1052 VanDerWaalsContact O-N 3.14Å
1053	F	48.4	Very low	53.1	Low	4 Å²	4	73.4 Å²	73.4	2%	0.018	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	6	178.3	-70.8	-52.9	0	0	0	115.4	S955 L956 I959 P1012 V1044 E1049 R1050 S1051 Q1055 F1056 L1058	S955-F1053 WeakPolarHBondContact OG-CE1 3.22Å; L956-F1053 HydrophobicContact CB-CD1 3.67Å; L956-F1053 HydrophobicContact CB-CE1 3.86Å; L956-F1053 HydrophobicContact CD1-CB 3.62Å; L956-F1053 HydrophobicContact CD1-CD1 3.55Å; L956-F1053 HydrophobicContact CD1-CE1 4.42Å; L956-F1053 HydrophobicContact CD1-CG 3.73Å; L956-F1053 HydrophobicContact CG-CB 4.39Å; L956-F1053 HydrophobicContact CG-CD1 3.45Å; L956-F1053 VanDerWaalsContact CG-CD1 3.45Å; L956-F1053 HydrophobicContact CG-CE1 3.83Å; L956-F1053 HydrophobicContact CG-CG 3.95Å; I959-F1053 HydrophobicContact CD1-CE1 3.96Å; I959-F1053 HydrophobicContact CD1-CZ 3.55Å; P1012-F1053 HydrophobicContact CB-CE2 3.87Å; P1012-F1053 HydrophobicContact CB-CZ 4.39Å; P1012-F1053 HydrophobicContact CG-CE2 3.53Å; P1012-F1053 HydrophobicContact CG-CZ 3.55Å; V1044-F1053 HydrophobicContact CG1-CD2 4.24Å; V1044-F1053 HydrophobicContact CG2-CD2 3.91Å; E1049-F1053 HydrophobicContact CB-CD2 4.46Å; E1049-F1053 HydrophobicContact CB-CE2 4.44Å; E1049-F1053 WeakPolarHBondContact O-CD2 3.26Å; E1049-F1053 PolarHBondContact O-N 3.26Å; E1049-F1053 VanDerWaalsContact O-N 3.07Å; R1050-F1053 CarbonylContact O-C 3.5Å; R1050-F1053 PolarHBondContact O-N 3.36Å; S1051-F1053 PolarHBondContact O-N 3.17Å; F1053-Q1055 PolarHBondContact O-N 3.16Å; F1053-F1056 HydrophobicContact CD1-CD2 4.1Å; F1053-F1056 AromaticContact CD1-CE2 3.99Å; F1053-F1056 HydrophobicContact CD1-CE2 3.99Å; F1053-F1056 WeakPolarHBondContact O-CD2 3.42Å; F1053-F1056 PolarHBondContact O-N 3.19Å; F1053-L1058 HydrophobicContact CB-CD1 4.24Å
1054	S	42.2	Very low	52.8	Low	92 Å²	92	74 Å²	74	64%	0.643	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.3	-178.2	60	0	0	0	0	114.8	R1050 S1051 F1056	R1050-S1054 PolarHBondContact O-N 2.03Å; S1051-S1054 VanDerWaalsContact O-CB 3.29Å; S1051-S1054 WeakPolarHBondContact O-CB 3.43Å; S1051-S1054 PolarHBondContact O-N 3.22Å; S1051-S1054 PolarHBondContact O-OG 2.98Å; S1054-F1056 PolarHBondContact O-N 3.25Å
1055	Q	39.7	Very low	52.6	Low	173 Å²	173	78 Å²	78	81%	0.808	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	1.8	177.7	-62.9	-174.5	-3.2	0	0	114	F1053	F1053-Q1055 PolarHBondContact O-N 3.16Å
1056	F	44	Very low	52.3	Low	39 Å²	39	76.2 Å²	76.2	17%	0.171	40%	0.396	C	S	.	.	S	Bend	trans	-118.2	144.9	-175.6	-59.2	-100.8	0	0	0	111.7	N954 L956 F1053 S1054 L1058	N954-F1056 VanDerWaalsContact C-CZ 3.4Å; N954-F1056 HydrophobicContact CB-CE1 3.85Å; N954-F1056 HydrophobicContact CB-CZ 4.09Å; N954-F1056 WeakPolarHBondContact O-CE1 3.2Å; N954-F1056 VanDerWaalsContact OD1-CE1 3.28Å; N954-F1056 WeakPolarHBondContact OD1-CE1 3.32Å; N954-F1056 WeakPolarHBondContact OD1-CZ 3.21Å; L956-F1056 HydrophobicContact CB-CB 4.17Å; L956-F1056 HydrophobicContact CB-CD1 3.51Å; L956-F1056 HydrophobicContact CB-CD2 3.99Å; L956-F1056 HydrophobicContact CB-CE1 3.74Å; L956-F1056 HydrophobicContact CB-CE2 4.2Å; L956-F1056 HydrophobicContact CB-CG 3.64Å; L956-F1056 HydrophobicContact CB-CZ 4.08Å; L956-F1056 HydrophobicContact CD1-CB 3.46Å; L956-F1056 VanDerWaalsContact CD1-CB 3.46Å; L956-F1056 HydrophobicContact CD1-CD1 4.39Å; L956-F1056 HydrophobicContact CD1-CD2 3.95Å; L956-F1056 HydrophobicContact CD1-CG 3.72Å; L956-F1056 HydrophobicContact CG-CB 4.47Å; L956-F1056 HydrophobicContact CG-CG 4.35Å; F1053-F1056 HydrophobicContact CD1-CD2 4.1Å; F1053-F1056 AromaticContact CD1-CE2 3.99Å; F1053-F1056 HydrophobicContact CD1-CE2 3.99Å; F1053-F1056 WeakPolarHBondContact O-CD2 3.42Å; F1053-F1056 PolarHBondContact O-N 3.19Å; S1054-F1056 PolarHBondContact O-N 3.25Å; F1056-L1058 PolarHBondContact O-N 3Å
1057	D	41.3	Very low	52.4	Low	103 Å²	103	71.4 Å²	71.4	55%	0.551	38%	0.376	S	S	*	.			trans	-71.6	70.5	173.4	-83.5	-12.8	0	0	0	112.6	L1059 R1060	D1057-L1059 PolarHBondContact O-N 2.96Å; D1057-L1059 VanDerWaalsContact O-N 3.1Å; D1057-R1060 HydrophobicContact CB-CG 3.95Å; D1057-R1060 PolarHBondContact O-N 2.84Å; D1057-R1060 IonicContact OD2-CZ 2.72Å; D1057-R1060 IonicContact OD2-NE 3.73Å; D1057-R1060 PolarHBondContact OD2-NE 3.4Å; D1057-R1060 IonicContact OD2-NH2 3.33Å; D1057-R1060 PolarHBondContact OD2-NH2 3.01Å
1058	L	51.1	Low	52.5	Low	34 Å²	34	69.7 Å²	69.7	18%	0.178	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-16.2	167.2	-84	169.3	0	0	0	113.2	L956 P1042 V1044 F1053 F1056	L956-L1058 HydrophobicContact CD1-CD1 4.12Å; L956-L1058 HydrophobicContact CD1-CD2 3.59Å; L956-L1058 HydrophobicContact CD1-CG 3.6Å; L956-L1058 HydrophobicContact CD2-CD2 3.9Å; L956-L1058 HydrophobicContact CG-CD2 4.37Å; P1042-L1058 HydrophobicContact CB-CD2 4.13Å; P1042-L1058 HydrophobicContact CG-CD2 3.86Å; V1044-L1058 HydrophobicContact CG2-CD1 4.4Å; V1044-L1058 HydrophobicContact CG2-CD2 4.24Å; F1053-L1058 HydrophobicContact CB-CD1 4.24Å; F1056-L1058 PolarHBondContact O-N 3Å
1059	L	49.1	Very low	52.9	Low	134 Å²	134	70.6 Å²	70.6	70%	0.702	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	11.9	179.1	-64.8	171.9	0	0	0	113.8	Y1041 D1057	Y1041-L1059 WeakPolarHBondContact CE1-O 3.4Å; D1057-L1059 PolarHBondContact O-N 2.96Å; D1057-L1059 VanDerWaalsContact O-N 3.1Å
1060	R	47	Very low	53.1	Low	97 Å²	97	73.4 Å²	73.4	37%	0.366	40%	0.397	S	S	.	.	S	Bend	trans	-97	142.8	169.8	-74.4	-179.8	-162.3	-162.8	10.4	111.5	R847 D922 D1057	R847-R1060 VanDerWaalsContact NH2-CD 3.26Å; D922-R1060 VanDerWaalsContact CG-NH1 3.26Å; D922-R1060 IonicContact OD1-NH1 3.07Å; D922-R1060 PolarHBondContact OD1-NH1 3.13Å; D922-R1060 IonicContact OD2-NH1 3.69Å; D922-R1060 PolarHBondContact OD2-NH1 2.8Å; D1057-R1060 HydrophobicContact CB-CG 3.95Å; D1057-R1060 PolarHBondContact O-N 2.84Å; D1057-R1060 IonicContact OD2-CZ 2.72Å; D1057-R1060 IonicContact OD2-NE 3.73Å; D1057-R1060 PolarHBondContact OD2-NE 3.4Å; D1057-R1060 IonicContact OD2-NH2 3.33Å; D1057-R1060 PolarHBondContact OD2-NH2 3.01Å
1061	P	53	Low	53.5	Low	50 Å²	50	74.1 Å²	74.1	33%	0.325	42%	0.415	S	S	.	.			trans	-66.2	148.2	173.3	31.2	-38.4	0	0	0	112	R847 E1039 C1040	R847-P1061 PolarHBondContact NH1-O 2.94Å; R847-P1061 VanDerWaalsContact NH1-O 3.09Å; E1039-P1061 HydrophobicContact CB-CB 3.83Å; E1039-P1061 HydrophobicContact CG-CB 4.37Å; E1039-P1061 WeakPolarHBondContact OE2-CB 3.4Å; E1039-P1061 WeakPolarHBondContact OE2-CG 3.37Å; C1040-P1061 CarbonylContact O-C 3.59Å; C1040-P1061 WeakPolarHBondContact O-CA 3.31Å
1062	V	54.6	Low	54.3	Low	35 Å²	35	75.2 Å²	75.2	21%	0.212	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-114.9	172.2	173.3	-62.4	0	0	0	0	109.8	F1016 C1040 P1042 L1066	F1016-V1062 HydrophobicContact CD1-CG2 3.91Å; F1016-V1062 HydrophobicContact CE1-CG2 4.13Å; C1040-V1062 HydrophobicContact CB-CG2 4.14Å; C1040-V1062 WeakPolarHBondContact O-CG2 3.26Å; C1040-V1062 PolarHBondContact O-N 2.95Å; P1042-V1062 HydrophobicContact CG-CG1 4.47Å; V1062-L1066 HydrophobicContact CB-CD1 3.72Å; V1062-L1066 HydrophobicContact CG2-CB 4.21Å; V1062-L1066 HydrophobicContact CG2-CD1 3.58Å
1063	A	53.5	Low	55.4	Low	36 Å²	36	70.6 Å²	70.6	30%	0.298	39%	0.393	S	S	.	.			trans	-64.2	137.5	-174	0	0	0	0	0	112.7	Y1065 L1066	A1063-Y1065 HydrophobicContact CB-CD1 3.68Å; A1063-Y1065 HydrophobicContact CB-CE1 3.39Å; A1063-Y1065 PolarHBondContact O-N 2.87Å; A1063-L1066 WeakPolarHBondContact O-CB 3.28Å; A1063-L1066 PolarHBondContact O-N 2.87Å
1064	D	59.4	Low	56.4	Low	63 Å²	63	75.7 Å²	75.7	34%	0.337	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-48.4	-33.7	-174.1	-88.6	18.9	0	0	0	115.1	L832 W1018 L1066 C1067 A1068 K1072	L832-D1064 HydrophobicContact CD2-CB 4.15Å; W1018-D1064 HydrophobicContact CH2-CB 3.79Å; W1018-D1064 VanDerWaalsContact CH2-CG 3.45Å; W1018-D1064 HydrophobicContact CZ3-CB 4.46Å; W1018-D1064 WeakPolarHBondContact CZ3-OD1 3.37Å; D1064-L1066 PolarHBondContact O-N 3.16Å; D1064-C1067 PolarHBondContact O-N 2.86Å; D1064-C1067 VanDerWaalsContact O-N 3.09Å; D1064-A1068 PolarHBondContact O-N 3.19Å; D1064-K1072 IonicContact OD1-NZ 3.6Å; D1064-K1072 PolarHBondContact OD1-NZ 3.46Å; D1064-K1072 IonicContact OD2-NZ 2.82Å; D1064-K1072 PolarHBondContact OD2-NZ 2.72Å
1065	Y	61.3	Low	57.5	Low	88 Å²	88	74.8 Å²	74.8	35%	0.345	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-63.3	-25	-179.4	69.7	-99.6	0	0	0	113.4	L832 A964 A1063 C1067 A1068	L832-Y1065 HydrophobicContact CD1-CD1 4.45Å; A964-Y1065 HydrophobicContact CB-CE2 3.91Å; A1063-Y1065 HydrophobicContact CB-CD1 3.68Å; A1063-Y1065 HydrophobicContact CB-CE1 3.39Å; A1063-Y1065 PolarHBondContact O-N 2.87Å; Y1065-C1067 PolarHBondContact O-N 3.27Å; Y1065-A1068 WeakPolarHBondContact O-CB 3.49Å; Y1065-A1068 PolarHBondContact O-N 2.85Å; Y1065-A1068 VanDerWaalsContact O-N 3.08Å
1066	L	53.1	Low	58.7	Low	20 Å²	20	69 Å²	69	11%	0.105	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-65.6	-27.1	176.6	-74.3	167.5	0	0	0	112.1	A964 F1016 V1062 A1063 D1064	A964-L1066 HydrophobicContact CB-CD2 3.68Å; F1016-L1066 HydrophobicContact CB-CB 4.27Å; F1016-L1066 VanDerWaalsContact CB-O 3.27Å; F1016-L1066 WeakPolarHBondContact CB-O 3.44Å; F1016-L1066 HydrophobicContact CD1-CB 3.84Å; F1016-L1066 HydrophobicContact CD1-CD1 4.27Å; F1016-L1066 HydrophobicContact CD1-CG 4.45Å; F1016-L1066 HydrophobicContact CD2-CB 4.14Å; F1016-L1066 HydrophobicContact CD2-CD2 4.14Å; F1016-L1066 HydrophobicContact CE1-CB 4.17Å; F1016-L1066 HydrophobicContact CE1-CD1 3.85Å; F1016-L1066 HydrophobicContact CE1-CD2 4.15Å; F1016-L1066 HydrophobicContact CE1-CG 4.28Å; F1016-L1066 HydrophobicContact CE2-CB 4.47Å; F1016-L1066 HydrophobicContact CE2-CD2 3.72Å; F1016-L1066 HydrophobicContact CG-CB 3.81Å; F1016-L1066 HydrophobicContact CZ-CB 4.47Å; F1016-L1066 HydrophobicContact CZ-CD1 4.17Å; F1016-L1066 HydrophobicContact CZ-CD2 3.71Å; F1016-L1066 HydrophobicContact CZ-CG 4.33Å; V1062-L1066 HydrophobicContact CB-CD1 3.72Å; V1062-L1066 HydrophobicContact CG2-CB 4.21Å; V1062-L1066 HydrophobicContact CG2-CD1 3.58Å; A1063-L1066 WeakPolarHBondContact O-CB 3.28Å; A1063-L1066 PolarHBondContact O-N 2.87Å; D1064-L1066 PolarHBondContact O-N 3.16Å
1067	C	70.6	Confident	59.7	Low	0 Å²	0	74.9 Å²	74.9	0%	0	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-98.8	7.9	173.7	-68.7	0	0	0	0	113.1	V1017 W1018 C1040 D1064 Y1065 S1069 M1070	V1017-C1067 PolarHBondContact N-SG 2.94Å; V1017-C1067 VanDerWaalsContact N-SG 3.43Å; W1018-C1067 HydrophobicContact CD2-CB 3.74Å; W1018-C1067 HydrophobicContact CE3-CB 4.32Å; W1018-C1067 HydrophobicContact CG-CB 4.13Å; W1018-C1067 HydrophobicContact CH2-CB 4.22Å; W1018-C1067 HydrophobicContact CZ2-CB 3.65Å; W1018-C1067 PolarHBondContact NE1-O 2.64Å; C1040-C1067 WeakPolarHBondContact CA-SG 3.44Å; C1040-C1067 HydrophobicContact CB-CB 3.74Å; C1040-C1067 WeakPolarHBondContact CB-SG 3.31Å; C1040-C1067 WeakPolarHBondContact SG-CB 3.47Å; C1040-C1067 PolarHBondContact SG-N 2.82Å; C1040-C1067 CovalentContact SG-SG 2.03Å; C1040-C1067 PolarHBondContact SG-SG 2.8Å; D1064-C1067 PolarHBondContact O-N 2.86Å; D1064-C1067 VanDerWaalsContact O-N 3.09Å; Y1065-C1067 PolarHBondContact O-N 3.27Å; C1067-S1069 PolarHBondContact O-N 2.9Å; C1067-M1070 PolarHBondContact O-N 2.91Å
1068	A	61.9	Low	60.7	Low	71 Å²	71	74.3 Å²	74.3	59%	0.587	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.7	-176.1	0	0	0	0	0	114.4	D1064 Y1065 M1070	D1064-A1068 PolarHBondContact O-N 3.19Å; Y1065-A1068 WeakPolarHBondContact O-CB 3.49Å; Y1065-A1068 PolarHBondContact O-N 2.85Å; Y1065-A1068 VanDerWaalsContact O-N 3.08Å; A1068-M1070 PolarHBondContact O-N 3.44Å
1069	S	59.5	Low	61.4	Low	104 Å²	104	79.4 Å²	79.4	73%	0.727	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-1.8	169.5	55.2	0	0	0	0	114.2	C1067	C1067-S1069 PolarHBondContact O-N 2.9Å
1070	M	64	Low	61.8	Low	81 Å²	81	73.2 Å²	73.2	40%	0.399	40%	0.397	S	S	.	.	S	Bend	trans	-136.8	148.1	176.1	-71.3	-171.5	-66.8	0	0	111.7	F1016 V1017 W1018 C1067 A1068	F1016-M1070 WeakPolarHBondContact O-CE 3.28Å; V1017-M1070 HydrophobicContact CB-CE 4.4Å; V1017-M1070 HydrophobicContact CG1-CE 4.26Å; W1018-M1070 PolarHBondContact NE1-O 3.4Å; C1067-M1070 PolarHBondContact O-N 2.91Å; A1068-M1070 PolarHBondContact O-N 3.44Å
1071	P	67.9	Low	62.2	Low	119 Å²	119	71.8 Å²	71.8	77%	0.773	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-66.9	135.2	177.8	28.1	-34.6	0	0	0	111.7	W1018 P1073	W1018-P1071 VanDerWaalsContact CD1-O 3.25Å; P1071-P1073 WeakPolarHBondContact O-CD 3.18Å
1072	K	69.8	Low	62.1	Low	94 Å²	94	72.5 Å²	72.5	41%	0.409	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-69.6	125.3	177.6	-170.3	166.6	-168.3	163.7	0	110.6	W1018 A1038 D1064	W1018-K1072 HydrophobicContact CD2-CB 4.24Å; W1018-K1072 HydrophobicContact CD2-CG 4.02Å; W1018-K1072 HydrophobicContact CE3-CD 4.22Å; W1018-K1072 HydrophobicContact CE3-CG 3.88Å; W1018-K1072 HydrophobicContact CH2-CB 4.15Å; W1018-K1072 HydrophobicContact CH2-CD 3.52Å; W1018-K1072 HydrophobicContact CH2-CG 3.83Å; W1018-K1072 HydrophobicContact CZ2-CB 3.77Å; W1018-K1072 HydrophobicContact CZ2-CD 4.06Å; W1018-K1072 HydrophobicContact CZ2-CG 3.95Å; W1018-K1072 HydrophobicContact CZ3-CD 3.62Å; W1018-K1072 HydrophobicContact CZ3-CG 3.8Å; A1038-K1072 HydrophobicContact CB-CG 4.17Å; A1038-K1072 WeakPolarHBondContact O-CE 3.5Å; A1038-K1072 PolarHBondContact O-NZ 3.4Å; D1064-K1072 IonicContact OD1-NZ 3.6Å; D1064-K1072 PolarHBondContact OD1-NZ 3.46Å; D1064-K1072 IonicContact OD2-NZ 2.82Å; D1064-K1072 PolarHBondContact OD2-NZ 2.72Å
1073	P	72.8	Confident	62	Low	45 Å²	45	72.1 Å²	72.1	29%	0.292	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-59.3	146.9	176.9	-25.2	33.3	0	0	0	112.9	W1018 A1038 P1071	W1018-P1073 VanDerWaalsContact CB-CD 3.4Å; W1018-P1073 HydrophobicContact CB-CG 3.8Å; W1018-P1073 HydrophobicContact CG-CG 4.41Å; A1038-P1073 HydrophobicContact CB-CB 4.04Å; A1038-P1073 HydrophobicContact CB-CG 4.07Å; P1071-P1073 WeakPolarHBondContact O-CD 3.18Å
1074	P	69.1	Low	62	Low	112 Å²	112	71.5 Å²	71.5	73%	0.727	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-65.1	151.3	175.8	28.6	-35.3	0	0	0	111.5
1075	S	64.6	Low	62	Low	73 Å²	73	69.5 Å²	69.5	51%	0.51	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-66.2	137.8	179.4	54.9	0	0	0	0	112.4	T1036	T1036-S1075 CarbonylContact O-C 3.58Å; T1036-S1075 WeakPolarHBondContact O-CA 3.31Å; T1036-S1075 VanDerWaalsContact O-CB 3.29Å; T1036-S1075 WeakPolarHBondContact O-CB 3.19Å
1076	V	64.3	Low	62.2	Low	50 Å²	50	66.5 Å²	66.5	30%	0.303	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.5	-176.2	-173.6	0	0	0	0	110.7	I1020 T1036 R1078	I1020-V1076 HydrophobicContact CD1-CG2 3.74Å; I1020-V1076 HydrophobicContact CG1-CG2 4.17Å; I1020-V1076 HydrophobicContact CG2-CB 4.41Å; I1020-V1076 HydrophobicContact CG2-CG2 4.18Å; T1036-V1076 PolarHBondContact N-O 3.18Å; T1036-V1076 PolarHBondContact O-N 3.47Å; T1036-V1076 PolarHBondContact OG1-O 3.44Å; V1076-R1078 HydrophobicContact CG1-CG 4.04Å
1077	F	66	Low	63.1	Low	163 Å²	163	70 Å²	70	72%	0.715	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	127.9	166.3	-71	-92.1	0	0	0	109.9	T1035	T1035-F1077 HydrophobicContact CG2-CD1 3.49Å; T1035-F1077 VanDerWaalsContact CG2-CD1 3.49Å; T1035-F1077 HydrophobicContact CG2-CD2 4.28Å; T1035-F1077 HydrophobicContact CG2-CE1 3.38Å; T1035-F1077 HydrophobicContact CG2-CE2 4.19Å; T1035-F1077 HydrophobicContact CG2-CG 3.96Å; T1035-F1077 HydrophobicContact CG2-CZ 3.76Å
1078	R	62.5	Low	63.6	Low	91 Å²	91	72.1 Å²	72.1	34%	0.343	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.6	169.8	-73.8	-159	-107.4	175.9	6.3	110	V1034 V1076 Y1083	V1034-R1078 PolarHBondContact N-O 3.05Å; V1034-R1078 PolarHBondContact O-N 3.35Å; V1034-R1078 VanDerWaalsContact O-O 3.05Å; V1076-R1078 HydrophobicContact CG1-CG 4.04Å; R1078-Y1083 HydrophobicContact CB-CD2 4.37Å; R1078-Y1083 HydrophobicContact CB-CE2 3.25Å; R1078-Y1083 WeakPolarHBondContact CB-OH 3.44Å; R1078-Y1083 VanDerWaalsContact CD-OH 3.27Å; R1078-Y1083 WeakPolarHBondContact CD-OH 3.32Å; R1078-Y1083 HydrophobicContact CG-CE2 4.21Å; R1078-Y1083 PolarHBondContact NE-OH 3.49Å
1079	R	65.8	Low	64.3	Low	141 Å²	141	69.3 Å²	69.3	53%	0.532	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	149.5	-179.6	-55.2	168.8	-78.8	-133.5	-8.8	109.3	N1033 S1081 D1082 Y1083	N1033-R1079 WeakPolarHBondContact OD1-CG 3.39Å; R1079-S1081 WeakPolarHBondContact CB-OG 3.31Å; R1079-S1081 PolarHBondContact O-N 2.97Å; R1079-D1082 WeakPolarHBondContact CB-OD2 3.4Å; R1079-D1082 IonicContact CZ-OD1 2.69Å; R1079-D1082 IonicContact CZ-OD2 2.88Å; R1079-D1082 PolarHBondContact N-OD2 3.13Å; R1079-D1082 IonicContact NE-OD1 3.12Å; R1079-D1082 PolarHBondContact NE-OD1 3.16Å; R1079-D1082 IonicContact NE-OD2 3.75Å; R1079-D1082 PolarHBondContact NE-OD2 3Å; R1079-D1082 IonicContact NH2-OD1 3.91Å; R1079-D1082 PolarHBondContact NH2-OD1 2.77Å; R1079-D1082 IonicContact NH2-OD2 3.17Å; R1079-D1082 WeakPolarHBondContact O-CA 3.48Å; R1079-D1082 VanDerWaalsContact O-CB 3.26Å; R1079-D1082 WeakPolarHBondContact O-CB 3.42Å; R1079-D1082 PolarHBondContact O-N 2.86Å; R1079-Y1083 VanDerWaalsContact O-CD2 3.24Å; R1079-Y1083 WeakPolarHBondContact O-CD2 3.23Å
1080	C	57.2	Low	65	Low	4 Å²	4	66.6 Å²	66.6	3%	0.027	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-65.3	-24.9	174.2	-69	0	0	0	0	112.7	C1027 T1029 G1032 V1034 D1082 Y1083 C1084	C1027-C1080 VanDerWaalsContact CA-SG 3.51Å; C1027-C1080 HydrophobicContact CB-CB 3.79Å; C1027-C1080 WeakPolarHBondContact CB-SG 3.45Å; C1027-C1080 WeakPolarHBondContact SG-CA 3.32Å; C1027-C1080 WeakPolarHBondContact SG-CB 3.11Å; C1027-C1080 CovalentContact SG-SG 2.05Å; C1027-C1080 PolarHBondContact SG-SG 3Å; T1029-C1080 WeakPolarHBondContact O-CB 3.46Å; G1032-C1080 WeakPolarHBondContact O-CB 3.44Å; G1032-C1080 PolarHBondContact O-N 3.47Å; V1034-C1080 VanDerWaalsContact CG2-SG 3.59Å; C1080-D1082 PolarHBondContact O-N 2.97Å; C1080-Y1083 PolarHBondContact O-N 3.33Å; C1080-Y1083 VanDerWaalsContact O-N 3.16Å; C1080-C1084 PolarHBondContact O-N 3.41Å; C1080-C1084 PolarHBondContact O-SG 3.08Å; C1080-C1084 VanDerWaalsContact O-SG 3.39Å
1081	S	54.6	Low	65.3	Low	67 Å²	67	65.4 Å²	65.4	47%	0.469	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-57.7	-27.7	166.7	58.5	0	0	0	0	113.6	C1030 R1079 Y1083	C1030-S1081 PolarHBondContact O-N 2.87Å; R1079-S1081 WeakPolarHBondContact CB-OG 3.31Å; R1079-S1081 PolarHBondContact O-N 2.97Å; S1081-Y1083 PolarHBondContact O-N 3.03Å
1082	D	52.6	Low	65	Low	66 Å²	66	62.7 Å²	62.7	35%	0.353	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-81.6	-1.7	-177.5	-47.7	-24	0	0	0	111.8	R1079 C1080	R1079-D1082 WeakPolarHBondContact CB-OD2 3.4Å; R1079-D1082 IonicContact CZ-OD1 2.69Å; R1079-D1082 IonicContact CZ-OD2 2.88Å; R1079-D1082 PolarHBondContact N-OD2 3.13Å; R1079-D1082 IonicContact NE-OD1 3.12Å; R1079-D1082 PolarHBondContact NE-OD1 3.16Å; R1079-D1082 IonicContact NE-OD2 3.75Å; R1079-D1082 PolarHBondContact NE-OD2 3Å; R1079-D1082 IonicContact NH2-OD1 3.91Å; R1079-D1082 PolarHBondContact NH2-OD1 2.77Å; R1079-D1082 IonicContact NH2-OD2 3.17Å; R1079-D1082 WeakPolarHBondContact O-CA 3.48Å; R1079-D1082 VanDerWaalsContact O-CB 3.26Å; R1079-D1082 WeakPolarHBondContact O-CB 3.42Å; R1079-D1082 PolarHBondContact O-N 2.86Å; C1080-D1082 PolarHBondContact O-N 2.97Å
1083	Y	51.1	Low	64.5	Low	26 Å²	26	60.9 Å²	60.9	10%	0.102	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-141.9	21.3	-178	-48.5	-92.4	0	0	0	114.7	E1022 P1024 T1036 R1078 R1079 C1080 S1081 G1085	E1022-Y1083 WeakPolarHBondContact O-CD1 3.32Å; E1022-Y1083 WeakPolarHBondContact O-CE1 3.21Å; P1024-Y1083 HydrophobicContact CB-CE2 4.44Å; P1024-Y1083 VanDerWaalsContact CD-CD2 3.48Å; P1024-Y1083 HydrophobicContact CG-CD1 4.14Å; P1024-Y1083 HydrophobicContact CG-CD2 3.21Å; P1024-Y1083 HydrophobicContact CG-CE1 4.03Å; P1024-Y1083 HydrophobicContact CG-CE2 3.06Å; P1024-Y1083 HydrophobicContact CG-CG 3.7Å; P1024-Y1083 VanDerWaalsContact CG-CZ 3.45Å; T1036-Y1083 VanDerWaalsContact CG2-OH 3.24Å; T1036-Y1083 WeakPolarHBondContact CG2-OH 3.39Å; T1036-Y1083 PolarHBondContact OG1-OH 3.31Å; R1078-Y1083 HydrophobicContact CB-CD2 4.37Å; R1078-Y1083 HydrophobicContact CB-CE2 3.25Å; R1078-Y1083 WeakPolarHBondContact CB-OH 3.44Å; R1078-Y1083 VanDerWaalsContact CD-OH 3.27Å; R1078-Y1083 WeakPolarHBondContact CD-OH 3.32Å; R1078-Y1083 HydrophobicContact CG-CE2 4.21Å; R1078-Y1083 PolarHBondContact NE-OH 3.49Å; R1079-Y1083 VanDerWaalsContact O-CD2 3.24Å; R1079-Y1083 WeakPolarHBondContact O-CD2 3.23Å; C1080-Y1083 PolarHBondContact O-N 3.33Å; C1080-Y1083 VanDerWaalsContact O-N 3.16Å; S1081-Y1083 PolarHBondContact O-N 3.03Å; Y1083-G1085 PolarHBondContact O-N 3.27Å
1084	C	54.5	Low	63.5	Low	23 Å²	23	66.3 Å²	66.3	16%	0.155	35%	0.346	C	S	.	.	S	Bend	trans	-64.4	95	159.2	-56.8	0	0	0	0	106.2	C1030 C1080 V1086	C1030-C1084 WeakPolarHBondContact CA-SG 3.49Å; C1030-C1084 HydrophobicContact CB-CB 4.5Å; C1030-C1084 WeakPolarHBondContact CB-SG 3.35Å; C1030-C1084 WeakPolarHBondContact SG-CB 3.31Å; C1030-C1084 CovalentContact SG-SG 2.03Å; C1030-C1084 PolarHBondContact SG-SG 3.18Å; C1080-C1084 PolarHBondContact O-N 3.41Å; C1080-C1084 PolarHBondContact O-SG 3.08Å; C1080-C1084 VanDerWaalsContact O-SG 3.39Å; C1084-V1086 PolarHBondContact O-N 3.34Å; C1084-V1086 VanDerWaalsContact O-N 3.07Å
1085	G	57.9	Low	62.4	Low	22 Å²	22	64.4 Å²	64.4	23%	0.227	33%	0.333	C	S	.	.			trans	-59.5	115	-160.4	0	0	0	0	0	111.2	Y1083 E1127 Y1128 W1142	Y1083-G1085 PolarHBondContact O-N 3.27Å; G1085-E1127 CarbonylContact O-C 3.49Å; G1085-E1127 WeakPolarHBondContact O-CA 3.47Å; G1085-Y1128 WeakPolarHBondContact O-CB 3.47Å; G1085-Y1128 PolarHBondContact O-N 3.07Å; G1085-W1142 VanDerWaalsContact O-CZ3 3.26Å; G1085-W1142 WeakPolarHBondContact O-CZ3 3.34Å
1086	V	66.3	Low	61.2	Low	25 Å²	25	64 Å²	64	15%	0.152	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	155.7	178.9	-76	0	0	0	0	112.5	C1084 E1126 E1127 A1145 V1151 A1155 L1157	C1084-V1086 PolarHBondContact O-N 3.34Å; C1084-V1086 VanDerWaalsContact O-N 3.07Å; V1086-E1126 CarbonylContact C-O 3.52Å; V1086-E1126 WeakPolarHBondContact CA-O 3.5Å; V1086-E1126 WeakPolarHBondContact CB-O 3.47Å; V1086-E1126 WeakPolarHBondContact CG1-O 2.96Å; V1086-E1127 HydrophobicContact CG1-CB 3.75Å; V1086-A1145 HydrophobicContact CG1-CB 4.49Å; V1086-V1151 HydrophobicContact CG1-CB 4.05Å; V1086-V1151 HydrophobicContact CG1-CG1 3.51Å; V1086-A1155 HydrophobicContact CG2-CB 3.24Å; V1086-L1157 HydrophobicContact CB-CD1 4.28Å; V1086-L1157 HydrophobicContact CG2-CD1 3.87Å
1087	R	72.9	Confident	59.7	Low	94 Å²	94	70.1 Å²	70.1	36%	0.355	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	153	172.4	68.8	-176.4	-178.6	179.9	-0.8	111.5	S1089 E1126 W1142	R1087-S1089 PolarHBondContact O-N 3.27Å; R1087-E1126 HydrophobicContact CG-CB 4.19Å; R1087-E1126 IonicContact CZ-OE2 2.71Å; R1087-E1126 PolarHBondContact N-O 2.89Å; R1087-E1126 IonicContact NE-OE2 2.71Å; R1087-E1126 PolarHBondContact NE-OE2 2.8Å; R1087-E1126 IonicContact NH2-OE2 2.64Å; R1087-E1126 PolarHBondContact NH2-OE2 3.39Å; R1087-E1126 PolarHBondContact O-N 3.1Å; R1087-W1142 HydrophobicContact CB-CH2 4.31Å; R1087-W1142 HydrophobicContact CB-CZ3 4.1Å; R1087-W1142 HydrophobicContact CG-CE3 3.93Å; R1087-W1142 HydrophobicContact CG-CH2 4Å; R1087-W1142 HydrophobicContact CG-CZ3 3.54Å
1088	W	81.1	Confident	58.3	Low	43 Å²	43	66 Å²	66	16%	0.163	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	110.8	153.7	-67.8	118.4	0	0	0	108.3	Y1123 C1125 E1149 C1152 L1157 K1159 A1160	W1088-Y1123 HydrophobicContact CB-CD1 4.03Å; W1088-C1125 HydrophobicContact CE3-CB 4.3Å; W1088-C1125 HydrophobicContact CH2-CB 4.46Å; W1088-C1125 HydrophobicContact CZ3-CB 3.98Å; W1088-E1149 HydrophobicContact CH2-CB 4.01Å; W1088-E1149 HydrophobicContact CH2-CG 3.86Å; W1088-E1149 HydrophobicContact CZ3-CG 4.28Å; W1088-C1152 HydrophobicContact CD2-CB 4.38Å; W1088-C1152 HydrophobicContact CH2-CB 4.12Å; W1088-C1152 HydrophobicContact CZ2-CB 3.67Å; W1088-L1157 PolarHBondContact NE1-O 2.82Å; W1088-K1159 VanDerWaalsContact CZ2-C 3.46Å; W1088-A1160 HydrophobicContact CE3-CB 4.24Å; W1088-A1160 HydrophobicContact CH2-CB 3.69Å; W1088-A1160 HydrophobicContact CZ2-CB 4.2Å; W1088-A1160 HydrophobicContact CZ3-CB 3.7Å
1089	S	75.9	Confident	57.1	Low	12 Å²	12	67.4 Å²	67.4	8%	0.084	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117.9	171	-172.8	0	0	0	0	108.4	R1087 K1091 V1124 E1126	R1087-S1089 PolarHBondContact O-N 3.27Å; S1089-K1091 PolarHBondContact O-N 2.9Å; S1089-K1091 VanDerWaalsContact OG-CE 3.3Å; S1089-K1091 WeakPolarHBondContact OG-CE 3.48Å; S1089-K1091 PolarHBondContact OG-NZ 3.23Å; S1089-V1124 PolarHBondContact N-O 3.49Å; S1089-V1124 PolarHBondContact O-N 2.94Å; S1089-E1126 VanDerWaalsContact CB-OE2 3.24Å; S1089-E1126 WeakPolarHBondContact CB-OE2 3.45Å; S1089-E1126 PolarHBondContact OG-OE2 3.35Å
1090	A	74.6	Confident	55.5	Low	47 Å²	47	66.9 Å²	66.9	39%	0.388	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	118.8	158.5	0	0	0	0	0	107.7	V1121 E1122 Y1123	A1090-V1121 HydrophobicContact CB-CB 4.13Å; A1090-V1121 HydrophobicContact CB-CG1 4.33Å; A1090-V1121 HydrophobicContact CB-CG2 4.13Å; A1090-E1122 CarbonylContact C-O 3.33Å; A1090-E1122 WeakPolarHBondContact CA-O 3.24Å; A1090-Y1123 HydrophobicContact CB-CD1 4.29Å; A1090-Y1123 HydrophobicContact CB-CE1 3.91Å
1091	K	69.3	Low	54.3	Low	57 Å²	57	69.3 Å²	69.3	25%	0.248	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	141.5	167.6	-61.3	-54.2	-172.1	-163.3	0	107.2	S1089 M1093 V1121 E1122 V1124 E1126	S1089-K1091 PolarHBondContact O-N 2.9Å; S1089-K1091 VanDerWaalsContact OG-CE 3.3Å; S1089-K1091 WeakPolarHBondContact OG-CE 3.48Å; S1089-K1091 PolarHBondContact OG-NZ 3.23Å; K1091-M1093 PolarHBondContact O-N 2.92Å; K1091-V1121 CarbonylContact O-C 3.57Å; K1091-V1121 WeakPolarHBondContact O-CA 3.26Å; K1091-V1121 VanDerWaalsContact O-CB 3.24Å; K1091-V1121 WeakPolarHBondContact O-CB 3.44Å; K1091-E1122 PolarHBondContact N-O 2.84Å; K1091-E1122 PolarHBondContact O-N 2.89Å; K1091-V1124 HydrophobicContact CG-CB 4.27Å; K1091-V1124 HydrophobicContact CG-CG2 3.91Å; K1091-E1126 VanDerWaalsContact CE-OE1 3.29Å; K1091-E1126 WeakPolarHBondContact CE-OE1 3.5Å; K1091-E1126 VanDerWaalsContact NZ-CD 3.3Å; K1091-E1126 IonicContact NZ-OE1 3.89Å; K1091-E1126 PolarHBondContact NZ-OE1 3.13Å; K1091-E1126 IonicContact NZ-OE2 2.68Å
1092	P	62.6	Low	53.2	Low	61 Å²	61	71.9 Å²	71.9	40%	0.396	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	136.5	164.6	24.7	-33.1	0	0	0	108.5	Q1094	P1092-Q1094 PolarHBondContact O-N 3.28Å
1093	M	58.3	Low	52.4	Low	57 Å²	57	73.3 Å²	73.3	28%	0.281	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-52.6	116.1	-177.2	-75.4	-169.5	79.7	0	0	110.4	K1091 T1095 Y1106 A1120 P1164	K1091-M1093 PolarHBondContact O-N 2.92Å; M1093-T1095 PolarHBondContact O-N 2.74Å; M1093-Y1106 HydrophobicContact CE-CD2 4.49Å; M1093-Y1106 HydrophobicContact SD-CD2 3.95Å; M1093-A1120 HydrophobicContact CG-CB 4.27Å; M1093-A1120 PolarHBondContact N-O 3.11Å; M1093-A1120 HydrophobicContact SD-CB 4.11Å; M1093-P1164 HydrophobicContact CE-CB 3.88Å; M1093-P1164 HydrophobicContact CG-CB 4.3Å; M1093-P1164 HydrophobicContact SD-CB 3.39Å; M1093-P1164 WeakPolarHBondContact SD-CB 3.44Å; M1093-P1164 HydrophobicContact SD-CG 4.25Å
1094	Q	52.5	Low	51.7	Low	158 Å²	158	78.8 Å²	78.8	74%	0.738	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-71.9	135	173.7	-64.1	-162.2	-4	0	0	109.1	P1092 G1096	P1092-Q1094 PolarHBondContact O-N 3.28Å; Q1094-G1096 VanDerWaalsContact C-N 3.28Å; Q1094-G1096 PolarHBondContact O-N 3.23Å
1095	T	45.9	Very low	51	Low	73 Å²	73	81.5 Å²	81.5	45%	0.448	45%	0.45	S	S	.	.			trans	-69.2	83.8	-176.4	53.1	0	0	0	0	110.8	M1093 K1097	M1093-T1095 PolarHBondContact O-N 2.74Å; T1095-K1097 PolarHBondContact O-N 3Å
1096	G	40.4	Very low	50.4	Low	64 Å²	64	85.3 Å²	85.3	66%	0.66	46%	0.458	S	S	*	.			trans	-59.8	125.7	175.2	0	0	0	0	0	110.7	Q1094 T1098	Q1094-G1096 VanDerWaalsContact C-N 3.28Å; Q1094-G1096 PolarHBondContact O-N 3.23Å; G1096-T1098 PolarHBondContact O-N 3.14Å; G1096-T1098 VanDerWaalsContact O-N 3.11Å
1097	K	32.8	Very low	49.5	Very low	179 Å²	179	87.2 Å²	87.2	78%	0.778	47%	0.47	S	S	*	.			trans	-63.1	113.6	171.8	-72.9	-177.1	176.2	-178.3	0	109.1	T1095	T1095-K1097 PolarHBondContact O-N 3Å
1098	T	34.8	Very low	48.3	Very low	76 Å²	76	85.7 Å²	85.7	47%	0.466	47%	0.474	S	S	.	.			trans	-64.8	155.8	158.7	59.8	0	0	0	0	109.1	G1096 N1100 G1101 I1102	G1096-T1098 PolarHBondContact O-N 3.14Å; G1096-T1098 VanDerWaalsContact O-N 3.11Å; T1098-N1100 PolarHBondContact O-N 3.36Å; T1098-G1101 PolarHBondContact O-N 2.85Å; T1098-I1102 PolarHBondContact OG1-O 2.82Å
1099	S	38.7	Very low	47.1	Very low	121 Å²	121	84.9 Å²	84.9	85%	0.846	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-16.2	179.6	50.9	0	0	0	0	114.5
1100	N	31.3	Very low	46.7	Very low	129 Å²	129	84.7 Å²	84.7	69%	0.69	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	12.1	-171.7	-59.3	24.3	0	0	0	112.6	T1098 I1102	T1098-N1100 PolarHBondContact O-N 3.36Å; N1100-I1102 VanDerWaalsContact C-N 3.29Å; N1100-I1102 PolarHBondContact O-N 2.97Å
1101	G	33.1	Very low	46.2	Very low	55 Å²	55	85.9 Å²	85.9	57%	0.567	48%	0.478	S	S	*	.			trans	76.4	1.5	169.2	0	0	0	0	0	117	T1098	T1098-G1101 PolarHBondContact O-N 2.85Å
1102	I	31.2	Very low	46.1	Very low	121 Å²	121	84.6 Å²	84.6	62%	0.621	48%	0.478	S	S	*	.			trans	-83.2	119.6	179.6	-57.7	174.2	0	0	0	109.9	T1098 N1100 K1104	T1098-I1102 PolarHBondContact OG1-O 2.82Å; N1100-I1102 VanDerWaalsContact C-N 3.29Å; N1100-I1102 PolarHBondContact O-N 2.97Å; I1102-K1104 PolarHBondContact O-N 2.81Å
1103	Y	35	Very low	46.5	Very low	96 Å²	96	83.2 Å²	83.2	38%	0.376	47%	0.465	S	S	.	.			trans	-75	116.2	168.8	-67.9	-89.7	0	0	0	109.8	F1105	Y1103-F1105 HydrophobicContact CG-CZ 4.37Å; Y1103-F1105 PolarHBondContact O-N 2.65Å
1104	K	37.5	Very low	46.8	Very low	142 Å²	142	82.9 Å²	82.9	62%	0.617	47%	0.468	S	S	*	.			trans	-85.7	104.7	160.8	-85.2	-163	168.9	-166.1	0	109	I1102 Y1106	I1102-K1104 PolarHBondContact O-N 2.81Å; K1104-Y1106 HydrophobicContact CB-CE2 4.28Å; K1104-Y1106 HydrophobicContact CD-CE2 4.3Å; K1104-Y1106 PolarHBondContact O-N 3.07Å
1105	F	38.4	Very low	47.5	Very low	79 Å²	79	81.5 Å²	81.5	35%	0.346	47%	0.466	S	S	.	.			trans	-75	109.8	168.3	-63.8	-74.3	0	0	0	109.5	Y1103 Y1259	Y1103-F1105 HydrophobicContact CG-CZ 4.37Å; Y1103-F1105 PolarHBondContact O-N 2.65Å; F1105-Y1259 AromaticContact CE1-CE1 3.7Å; F1105-Y1259 HydrophobicContact CE1-CE1 3.7Å; F1105-Y1259 AromaticContact CZ-CE1 3.85Å; F1105-Y1259 HydrophobicContact CZ-CE1 3.85Å; F1105-Y1259 AromaticContact CZ-CZ 3.81Å
1106	Y	46.6	Very low	48.5	Very low	103 Å²	103	84.5 Å²	84.5	40%	0.404	48%	0.475	S	S	.	.			trans	-100.8	138.8	154.2	-63.3	-68.4	0	0	0	107.2	M1093 K1104 S1108	M1093-Y1106 HydrophobicContact CE-CD2 4.49Å; M1093-Y1106 HydrophobicContact SD-CD2 3.95Å; K1104-Y1106 HydrophobicContact CB-CE2 4.28Å; K1104-Y1106 HydrophobicContact CD-CE2 4.3Å; K1104-Y1106 PolarHBondContact O-N 3.07Å; Y1106-S1108 PolarHBondContact O-N 3.07Å
1107	T	46.6	Very low	49.9	Very low	64 Å²	64	81.7 Å²	81.7	39%	0.393	45%	0.446	S	S	.	.			trans	-71.8	103.6	-166.1	50.6	0	0	0	0	111.7	S1109	T1107-S1109 WeakPolarHBondContact CB-O 3.38Å; T1107-S1109 PolarHBondContact O-N 3.33Å
1108	S	47.7	Very low	51.7	Low	62 Å²	62	78 Å²	78	43%	0.434	43%	0.431	S	S	.	.	S	Bend	trans	-78.8	46.7	167.3	64.2	0	0	0	0	111.3	Y1106 E1119	Y1106-S1108 PolarHBondContact O-N 3.07Å; S1108-E1119 VanDerWaalsContact C-OE1 3.23Å; S1108-E1119 VanDerWaalsContact CA-OE1 3.31Å; S1108-E1119 WeakPolarHBondContact CA-OE1 3.21Å
1109	S	56.5	Low	53.3	Low	26 Å²	26	76.6 Å²	76.6	18%	0.182	42%	0.419	C	S	.	.	S	Bend	trans	-171.4	147	-171.8	-74.6	0	0	0	0	105.8	T1107 S1111	T1107-S1109 WeakPolarHBondContact CB-O 3.38Å; T1107-S1109 PolarHBondContact O-N 3.33Å; S1109-S1111 PolarHBondContact O-N 3.38Å
1110	C	66.2	Low	54.7	Low	9 Å²	9	71 Å²	71	6%	0.061	38%	0.38	C	S	.	.			trans	-62	137.9	-172.3	-158.1	0	0	0	0	112.2	A1112 C1169 W1209	C1110-A1112 PolarHBondContact O-N 2.92Å; C1110-C1169 WeakPolarHBondContact CA-SG 3.36Å; C1110-C1169 HydrophobicContact CB-CB 3.78Å; C1110-C1169 WeakPolarHBondContact CB-SG 3.47Å; C1110-C1169 WeakPolarHBondContact SG-CB 3.18Å; C1110-C1169 CovalentContact SG-SG 2.03Å; C1110-C1169 PolarHBondContact SG-SG 2.95Å; C1110-W1209 WeakPolarHBondContact O-CZ3 3.27Å
1111	S	65.3	Low	56.4	Low	71 Å²	71	65.1 Å²	65.1	50%	0.497	35%	0.349	S	S	.	.	S	Bend	trans	-66.2	13.5	-177.2	74.9	0	0	0	0	115.9	S1109 G1117 H1118	S1109-S1111 PolarHBondContact O-N 3.38Å; S1111-G1117 VanDerWaalsContact OG-CA 3.29Å; S1111-G1117 WeakPolarHBondContact OG-CA 3.01Å; S1111-H1118 WeakPolarHBondContact CB-O 3.27Å; S1111-H1118 PolarHBondContact N-O 2.83Å; S1111-H1118 PolarHBondContact OG-N 2.02Å
1112	A	66.3	Low	58.6	Low	30 Å²	30	65.5 Å²	65.5	25%	0.248	34%	0.336	C	S	.	.			trans	-153.4	136.8	171.7	0	0	0	0	0	110.2	C1110 C1114 G1171 W1209	C1110-A1112 PolarHBondContact O-N 2.92Å; A1112-C1114 VanDerWaalsContact CB-O 3.29Å; A1112-C1114 WeakPolarHBondContact CB-O 3.4Å; A1112-G1171 VanDerWaalsContact O-CA 3.22Å; A1112-G1171 WeakPolarHBondContact O-CA 3Å; A1112-W1209 WeakPolarHBondContact O-CH2 3.3Å
1113	R	70.6	Confident	61	Low	32 Å²	32	62.3 Å²	62.3	12%	0.121	32%	0.317	C	S	.	.	S	Bend	trans	-73.7	-26.6	174.3	-173.9	165.8	66.1	99	-0.3	113.4	G1171 S1172 C1173 H1174 W1209 E1213	R1113-G1171 CarbonylContact O-C 3.55Å; R1113-G1171 VanDerWaalsContact O-CA 3.28Å; R1113-G1171 WeakPolarHBondContact O-CA 3.45Å; R1113-S1172 PolarHBondContact O-N 3.05Å; R1113-C1173 PolarHBondContact O-N 2.98Å; R1113-H1174 PolarHBondContact NH1-O 2.91Å; R1113-W1209 HydrophobicContact CB-CD2 3.91Å; R1113-W1209 HydrophobicContact CB-CE3 3.78Å; R1113-W1209 HydrophobicContact CB-CH2 3.88Å; R1113-W1209 HydrophobicContact CB-CZ2 3.94Å; R1113-W1209 HydrophobicContact CB-CZ3 3.77Å; R1113-W1209 HydrophobicContact CG-CD2 3.86Å; R1113-W1209 HydrophobicContact CG-CE3 4.25Å; R1113-W1209 HydrophobicContact CG-CG 4.44Å; R1113-W1209 HydrophobicContact CG-CH2 4.16Å; R1113-W1209 HydrophobicContact CG-CZ2 3.68Å; R1113-W1209 HydrophobicContact CG-CZ3 4.4Å; R1113-E1213 WeakPolarHBondContact CB-OE1 3.37Å; R1113-E1213 IonicContact CZ-OE2 2.81Å; R1113-E1213 IonicContact NE-OE1 2.67Å; R1113-E1213 IonicContact NE-OE2 2.74Å; R1113-E1213 PolarHBondContact NE-OE2 3.47Å; R1113-E1213 IonicContact NH2-OE2 3.76Å; R1113-E1213 PolarHBondContact NH2-OE2 2.75Å
1114	C	66.3	Low	63.3	Low	50 Å²	50	59.2 Å²	59.2	34%	0.338	31%	0.307	S	S	.	.	S	Bend	trans	-124.5	148.7	169.3	-78	0	0	0	0	110	A1112 C1173	A1112-C1114 VanDerWaalsContact CB-O 3.29Å; A1112-C1114 WeakPolarHBondContact CB-O 3.4Å; C1114-C1173 WeakPolarHBondContact CA-SG 3.31Å; C1114-C1173 HydrophobicContact CB-CB 4.48Å; C1114-C1173 WeakPolarHBondContact CB-SG 2.99Å; C1114-C1173 WeakPolarHBondContact SG-CA 3.49Å; C1114-C1173 WeakPolarHBondContact SG-CB 3.47Å; C1114-C1173 CovalentContact SG-SG 2.04Å; C1114-C1173 PolarHBondContact SG-SG 2.86Å
1115	N	65.6	Low	65.5	Low	130 Å²	130	52.6 Å²	52.6	70%	0.695	28%	0.279	S	S	*	.	S	Bend	trans	71.3	-160.9	-179.4	-42.9	-60	0	0	0	113.9	K1170 G1171	N1115-K1170 WeakPolarHBondContact O-CA 3.47Å; N1115-G1171 PolarHBondContact O-N 2.85Å
1116	E	66.7	Low	67.6	Low	136 Å²	136	49.4 Å²	49.4	64%	0.636	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	150	-174.7	-72.6	175.6	-175.6	0	0	112.4	C1169 K1170	E1116-C1169 WeakPolarHBondContact CA-O 3.24Å; E1116-K1170 VanDerWaalsContact CD-CE 3.44Å; E1116-K1170 HydrophobicContact CG-CD 4.22Å; E1116-K1170 HydrophobicContact CG-CG 3.81Å; E1116-K1170 WeakPolarHBondContact OE1-CE 3.46Å; E1116-K1170 IonicContact OE1-NZ 2.63Å; E1116-K1170 PolarHBondContact OE1-NZ 2.94Å
1117	G	71.4	Confident	68.9	Low	5 Å²	5	45.2 Å²	45.2	5%	0.052	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	-164.3	178.5	0	0	0	0	0	113	S1111 T1168 C1169	S1111-G1117 VanDerWaalsContact OG-CA 3.29Å; S1111-G1117 WeakPolarHBondContact OG-CA 3.01Å; G1117-T1168 WeakPolarHBondContact O-CA 3.37Å; G1117-C1169 PolarHBondContact N-O 2.86Å; G1117-C1169 PolarHBondContact O-N 3.18Å; G1117-C1169 PolarHBondContact O-SG 3.41Å
1118	H	71	Confident	70	Confident	101 Å²	101	45 Å²	45	47%	0.468	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	157.3	-176.6	-58.2	-77	0	0	0	113.8	S1111 V1167 C1169	S1111-H1118 WeakPolarHBondContact CB-O 3.27Å; S1111-H1118 PolarHBondContact N-O 2.83Å; S1111-H1118 PolarHBondContact OG-N 2.02Å; H1118-V1167 CarbonylContact C-O 3.5Å; H1118-V1167 VanDerWaalsContact CA-O 3.26Å; H1118-V1167 WeakPolarHBondContact CA-O 3.32Å; H1118-C1169 VanDerWaalsContact C-SG 3.57Å; H1118-C1169 PolarHBondContact N-SG 3.14Å; H1118-C1169 VanDerWaalsContact N-SG 3.43Å
1119	E	67.3	Low	70.5	Confident	47 Å²	47	44.3 Å²	44.3	22%	0.22	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150	175.5	168.5	169.4	-150.6	0	0	110.4	S1108 V1121 Y1166 V1167	S1108-E1119 VanDerWaalsContact C-OE1 3.23Å; S1108-E1119 VanDerWaalsContact CA-OE1 3.31Å; S1108-E1119 WeakPolarHBondContact CA-OE1 3.21Å; E1119-V1121 HydrophobicContact CG-CG1 4.46Å; E1119-Y1166 CarbonylContact O-C 3.59Å; E1119-Y1166 VanDerWaalsContact O-CA 3.3Å; E1119-Y1166 WeakPolarHBondContact O-CA 3.41Å; E1119-V1167 HydrophobicContact CB-CG2 4.17Å; E1119-V1167 HydrophobicContact CG-CG2 4.5Å; E1119-V1167 PolarHBondContact N-O 2.77Å; E1119-V1167 PolarHBondContact O-N 3.19Å
1120	A	68.2	Low	70.2	Confident	2 Å²	2	45.2 Å²	45.2	2%	0.017	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.8	-177.5	0	0	0	0	0	113.2	M1093 A1165 Y1166	M1093-A1120 HydrophobicContact CG-CB 4.27Å; M1093-A1120 PolarHBondContact N-O 3.11Å; M1093-A1120 HydrophobicContact SD-CB 4.11Å; A1120-A1165 WeakPolarHBondContact CA-O 3.07Å; A1120-Y1166 HydrophobicContact CB-CD1 4Å; A1120-Y1166 HydrophobicContact CB-CE1 3.82Å
1121	V	68	Low	69.5	Low	6 Å²	6	47.4 Å²	47.4	4%	0.036	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.8	-171.6	-62.1	0	0	0	0	114.9	A1090 K1091 E1119 A1165 V1167	A1090-V1121 HydrophobicContact CB-CB 4.13Å; A1090-V1121 HydrophobicContact CB-CG1 4.33Å; A1090-V1121 HydrophobicContact CB-CG2 4.13Å; K1091-V1121 CarbonylContact O-C 3.57Å; K1091-V1121 WeakPolarHBondContact O-CA 3.26Å; K1091-V1121 VanDerWaalsContact O-CB 3.24Å; K1091-V1121 WeakPolarHBondContact O-CB 3.44Å; E1119-V1121 HydrophobicContact CG-CG1 4.46Å; V1121-A1165 HydrophobicContact CG2-CB 4.03Å; V1121-A1165 PolarHBondContact N-O 2.86Å; V1121-A1165 PolarHBondContact O-N 3.3Å; V1121-V1167 HydrophobicContact CG1-CG2 3.93Å; V1121-V1167 HydrophobicContact CG2-CG1 4.08Å; V1121-V1167 HydrophobicContact CG2-CG2 4.46Å
1122	E	78.3	Confident	68.2	Low	63 Å²	63	48.8 Å²	48.8	29%	0.294	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	145.7	168.9	-169.7	-167.9	150.2	0	0	109.4	A1090 K1091 V1124 Q1163	A1090-E1122 CarbonylContact C-O 3.33Å; A1090-E1122 WeakPolarHBondContact CA-O 3.24Å; K1091-E1122 PolarHBondContact N-O 2.84Å; K1091-E1122 PolarHBondContact O-N 2.89Å; E1122-V1124 HydrophobicContact CG-CG2 4.36Å; E1122-Q1163 HydrophobicContact CG-CG 4.45Å
1123	Y	80.8	Confident	66.7	Low	55 Å²	55	56.1 Å²	56.1	22%	0.216	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	109	177.4	-79.2	-77.9	0	0	0	111.8	W1088 A1090 P1161 Q1163 A1165	W1088-Y1123 HydrophobicContact CB-CD1 4.03Å; A1090-Y1123 HydrophobicContact CB-CD1 4.29Å; A1090-Y1123 HydrophobicContact CB-CE1 3.91Å; Y1123-P1161 HydrophobicContact CD1-CG 4.18Å; Y1123-P1161 HydrophobicContact CD2-CB 3.59Å; Y1123-P1161 HydrophobicContact CD2-CG 3.63Å; Y1123-P1161 HydrophobicContact CE1-CG 4.25Å; Y1123-P1161 HydrophobicContact CE2-CB 3.61Å; Y1123-P1161 HydrophobicContact CE2-CG 3.7Å; Y1123-P1161 HydrophobicContact CG-CB 4.3Å; Y1123-P1161 HydrophobicContact CG-CG 3.86Å; Y1123-Q1163 PolarHBondContact O-NE2 2.89Å; Y1123-Q1163 VanDerWaalsContact O-NE2 3.09Å; Y1123-A1165 HydrophobicContact CD2-CB 4.28Å; Y1123-A1165 HydrophobicContact CE2-CB 3.65Å
1124	V	84	Confident	65.8	Low	30 Å²	30	57.9 Å²	57.9	18%	0.182	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138.6	-178.2	-175.8	0	0	0	0	110.4	S1089 K1091 E1122 E1126 V1144	S1089-V1124 PolarHBondContact N-O 3.49Å; S1089-V1124 PolarHBondContact O-N 2.94Å; K1091-V1124 HydrophobicContact CG-CB 4.27Å; K1091-V1124 HydrophobicContact CG-CG2 3.91Å; E1122-V1124 HydrophobicContact CG-CG2 4.36Å; V1124-E1126 PolarHBondContact O-N 3.44Å; V1124-V1144 HydrophobicContact CG1-CG1 3.99Å; V1124-V1144 HydrophobicContact CG1-CG2 3.98Å
1125	C	84.2	Confident	64.4	Low	4 Å²	4	65.1 Å²	65.1	3%	0.027	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	115.7	173.2	-172.4	0	0	0	0	111	W1088 A1145 C1152	W1088-C1125 HydrophobicContact CE3-CB 4.3Å; W1088-C1125 HydrophobicContact CH2-CB 4.46Å; W1088-C1125 HydrophobicContact CZ3-CB 3.98Å; C1125-A1145 HydrophobicContact CB-CB 4.48Å; C1125-A1145 PolarHBondContact O-N 3.12Å; C1125-C1152 VanDerWaalsContact CA-SG 3.52Å; C1125-C1152 HydrophobicContact CB-CB 3.94Å; C1125-C1152 WeakPolarHBondContact CB-SG 3.48Å; C1125-C1152 WeakPolarHBondContact SG-CB 3.29Å; C1125-C1152 PolarHBondContact SG-N 2.73Å; C1125-C1152 CovalentContact SG-SG 2.03Å; C1125-C1152 PolarHBondContact SG-SG 2.78Å
1126	E	82.8	Confident	63.3	Low	12 Å²	12	60.5 Å²	60.5	6%	0.056	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	147.1	173.2	-66.9	-171.9	134.5	0	0	111.7	V1086 R1087 S1089 K1091 V1124 W1142 R1143	V1086-E1126 CarbonylContact C-O 3.52Å; V1086-E1126 WeakPolarHBondContact CA-O 3.5Å; V1086-E1126 WeakPolarHBondContact CB-O 3.47Å; V1086-E1126 WeakPolarHBondContact CG1-O 2.96Å; R1087-E1126 HydrophobicContact CG-CB 4.19Å; R1087-E1126 IonicContact CZ-OE2 2.71Å; R1087-E1126 PolarHBondContact N-O 2.89Å; R1087-E1126 IonicContact NE-OE2 2.71Å; R1087-E1126 PolarHBondContact NE-OE2 2.8Å; R1087-E1126 IonicContact NH2-OE2 2.64Å; R1087-E1126 PolarHBondContact NH2-OE2 3.39Å; R1087-E1126 PolarHBondContact O-N 3.1Å; S1089-E1126 VanDerWaalsContact CB-OE2 3.24Å; S1089-E1126 WeakPolarHBondContact CB-OE2 3.45Å; S1089-E1126 PolarHBondContact OG-OE2 3.35Å; K1091-E1126 VanDerWaalsContact CE-OE1 3.29Å; K1091-E1126 WeakPolarHBondContact CE-OE1 3.5Å; K1091-E1126 VanDerWaalsContact NZ-CD 3.3Å; K1091-E1126 IonicContact NZ-OE1 3.89Å; K1091-E1126 PolarHBondContact NZ-OE1 3.13Å; K1091-E1126 IonicContact NZ-OE2 2.68Å; V1124-E1126 PolarHBondContact O-N 3.44Å; E1126-W1142 HydrophobicContact CB-CE3 3.91Å; E1126-R1143 CarbonylContact C-O 3.43Å; E1126-R1143 WeakPolarHBondContact CA-O 3.43Å; E1126-R1143 WeakPolarHBondContact CB-O 3.47Å
1127	E	73.6	Confident	62.2	Low	15 Å²	15	59.1 Å²	59.1	7%	0.07	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.4	168.8	73.1	-167.3	154.6	0	0	111.5	G1085 V1086 I1129 W1142 R1143 A1145 Q1146	G1085-E1127 CarbonylContact O-C 3.49Å; G1085-E1127 WeakPolarHBondContact O-CA 3.47Å; V1086-E1127 HydrophobicContact CG1-CB 3.75Å; E1127-I1129 HydrophobicContact CG-CD1 4.15Å; E1127-I1129 HydrophobicContact CG-CG1 4.23Å; E1127-W1142 WeakPolarHBondContact O-CA 3.4Å; E1127-R1143 HydrophobicContact CG-CG 3.85Å; E1127-R1143 PolarHBondContact N-O 3.39Å; E1127-R1143 PolarHBondContact O-N 3.37Å; E1127-R1143 IonicContact OE1-CZ 2.71Å; E1127-R1143 IonicContact OE1-NE 2.68Å; E1127-R1143 PolarHBondContact OE1-NE 2.8Å; E1127-R1143 IonicContact OE1-NH2 3.44Å; E1127-R1143 PolarHBondContact OE1-NH2 3.29Å; E1127-A1145 HydrophobicContact CB-CB 3.95Å; E1127-A1145 HydrophobicContact CG-CB 4.19Å; E1127-Q1146 PolarHBondContact OE1-N 2.89Å
1128	Y	70.4	Confident	60.8	Low	58 Å²	58	62.4 Å²	62.4	23%	0.227	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124	-179.5	-172.4	-109.2	0	0	0	111.6	G1085 V1130 K1137 S1138 G1140 W1142	G1085-Y1128 WeakPolarHBondContact O-CB 3.47Å; G1085-Y1128 PolarHBondContact O-N 3.07Å; Y1128-V1130 HydrophobicContact CD1-CG2 4.28Å; Y1128-V1130 HydrophobicContact CE1-CG2 3.63Å; Y1128-K1137 PolarHBondContact OH-O 2.99Å; Y1128-S1138 VanDerWaalsContact OH-C 3.23Å; Y1128-S1138 WeakPolarHBondContact OH-CA 3.22Å; Y1128-S1138 PolarHBondContact OH-O 3.4Å; Y1128-G1140 WeakPolarHBondContact CE2-O 3.44Å; Y1128-G1140 WeakPolarHBondContact OH-CA 3.18Å; Y1128-G1140 PolarHBondContact OH-N 3.47Å; Y1128-G1140 VanDerWaalsContact OH-N 3.13Å; Y1128-W1142 AromaticContact CD2-CD1 3.8Å; Y1128-W1142 AromaticContact CD2-CD2 3.77Å; Y1128-W1142 HydrophobicContact CD2-CD2 3.77Å; Y1128-W1142 AromaticContact CD2-CE2 3.53Å; Y1128-W1142 HydrophobicContact CD2-CE3 4.41Å; Y1128-W1142 AromaticContact CD2-CG 3.95Å; Y1128-W1142 HydrophobicContact CD2-CG 3.95Å; Y1128-W1142 HydrophobicContact CD2-CZ2 4.01Å; Y1128-W1142 AromaticContact CD2-NE1 3.53Å; Y1128-W1142 AromaticContact CE2-NE1 3.84Å; Y1128-W1142 HydrophobicContact CG-CD2 4.41Å; Y1128-W1142 HydrophobicContact CG-CZ2 4.3Å
1129	I	57.2	Low	59.6	Low	48 Å²	48	63.6 Å²	63.6	25%	0.246	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.7	-176.8	-61.7	-172.2	0	0	0	111.2	E1127 G1140 I1141 R1143	E1127-I1129 HydrophobicContact CG-CD1 4.15Å; E1127-I1129 HydrophobicContact CG-CG1 4.23Å; I1129-G1140 CarbonylContact O-C 3.6Å; I1129-G1140 WeakPolarHBondContact O-CA 3.43Å; I1129-I1141 PolarHBondContact N-O 3.35Å; I1129-I1141 PolarHBondContact O-N 3.36Å; I1129-R1143 HydrophobicContact CD1-CG 4.23Å; I1129-R1143 VanDerWaalsContact CD1-NE 3.26Å
1130	V	51.2	Low	58.9	Low	45 Å²	45	62 Å²	62	27%	0.273	32%	0.321	S	S	.	.			trans	-96.1	115.5	169.7	-176.2	0	0	0	0	108.4	Y1128 Q1134 K1137	Y1128-V1130 HydrophobicContact CD1-CG2 4.28Å; Y1128-V1130 HydrophobicContact CE1-CG2 3.63Å; V1130-Q1134 HydrophobicContact CG1-CB 4.25Å; V1130-K1137 HydrophobicContact CG1-CG 4.33Å; V1130-K1137 WeakPolarHBondContact CG2-O 3.42Å
1131	P	49.7	Very low	58.5	Low	55 Å²	55	67 Å²	67	36%	0.357	35%	0.346	S	S	.	.			trans	-60.5	141.8	171.8	-21.2	32.3	0	0	0	110.9	E1133 Q1134	P1131-E1133 PolarHBondContact O-N 2.66Å; P1131-E1133 VanDerWaalsContact O-N 3.1Å; P1131-Q1134 HydrophobicContact CB-CB 4.13Å; P1131-Q1134 HydrophobicContact CG-CB 4.28Å; P1131-Q1134 VanDerWaalsContact O-CB 3.22Å; P1131-Q1134 WeakPolarHBondContact O-CB 3.31Å; P1131-Q1134 PolarHBondContact O-N 2.76Å
1132	A	37.9	Very low	58.8	Low	100 Å²	100	71.2 Å²	71.2	83%	0.826	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-27	-176	0	0	0	0	0	113.8
1133	E	36.4	Very low	58.4	Low	184 Å²	184	72.7 Å²	72.7	86%	0.86	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.3	177.3	-65.1	164.4	-158	0	0	113.4	P1131 K1135	P1131-E1133 PolarHBondContact O-N 2.66Å; P1131-E1133 VanDerWaalsContact O-N 3.1Å; E1133-K1135 PolarHBondContact O-N 2.68Å
1134	Q	50.7	Low	58.2	Low	69 Å²	69	74.3 Å²	74.3	32%	0.322	38%	0.38	S	S	.	.			trans	-74.8	92.1	-174.4	-171.4	75	-71	0	0	110.3	V1130 P1131 D1136 K1139	V1130-Q1134 HydrophobicContact CG1-CB 4.25Å; P1131-Q1134 HydrophobicContact CB-CB 4.13Å; P1131-Q1134 HydrophobicContact CG-CB 4.28Å; P1131-Q1134 VanDerWaalsContact O-CB 3.22Å; P1131-Q1134 WeakPolarHBondContact O-CB 3.31Å; P1131-Q1134 PolarHBondContact O-N 2.76Å; Q1134-D1136 VanDerWaalsContact CG-O 3.26Å; Q1134-D1136 WeakPolarHBondContact CG-O 3.26Å; Q1134-D1136 PolarHBondContact O-N 3.24Å; Q1134-K1139 HydrophobicContact CG-CB 4.06Å; Q1134-K1139 PolarHBondContact NE2-O 2.89Å
1135	K	36.8	Very low	57.6	Low	203 Å²	203	73.1 Å²	73.1	88%	0.883	37%	0.373	S	S	*	.	S	Bend	trans	-51	-23.8	174.7	-69.6	-173.6	176.8	-178.7	0	113.6	E1133	E1133-K1135 PolarHBondContact O-N 2.68Å
1136	D	42.5	Very low	56.9	Low	33 Å²	33	79.9 Å²	79.9	18%	0.176	40%	0.404	C	S	.	.			trans	-102.7	94.4	175.9	-162.5	-8.5	0	0	0	112	K884 Q1134 S1138 K1139	K884-D1136 WeakPolarHBondContact CE-OD1 3.13Å; K884-D1136 IonicContact NZ-OD1 3.59Å; K884-D1136 PolarHBondContact NZ-OD1 2.86Å; Q1134-D1136 VanDerWaalsContact CG-O 3.26Å; Q1134-D1136 WeakPolarHBondContact CG-O 3.26Å; Q1134-D1136 PolarHBondContact O-N 3.24Å; D1136-S1138 PolarHBondContact O-N 3.34Å; D1136-S1138 PolarHBondContact OD1-N 3.26Å; D1136-S1138 PolarHBondContact OD1-OG 2.79Å; D1136-K1139 HydrophobicContact CB-CB 4.19Å; D1136-K1139 HydrophobicContact CB-CD 3.87Å; D1136-K1139 HydrophobicContact CB-CG 3.91Å; D1136-K1139 WeakPolarHBondContact O-CB 3.34Å; D1136-K1139 PolarHBondContact O-N 3.43Å; D1136-K1139 WeakPolarHBondContact OD2-CE 3.36Å; D1136-K1139 IonicContact OD2-NZ 3.88Å
1137	K	43.6	Very low	56.3	Low	106 Å²	106	84.4 Å²	84.4	46%	0.461	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-14.3	179.7	-70.9	-163.3	174.5	-170.5	0	115.2	Y1128 V1130	Y1128-K1137 PolarHBondContact OH-O 2.99Å; V1130-K1137 HydrophobicContact CG1-CG 4.33Å; V1130-K1137 WeakPolarHBondContact CG2-O 3.42Å
1138	S	42.2	Very low	56.3	Low	75 Å²	75	85.1 Å²	85.1	52%	0.524	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-13.2	171.8	65.8	0	0	0	0	113.6	Y1128 D1136 G1140	Y1128-S1138 VanDerWaalsContact OH-C 3.23Å; Y1128-S1138 WeakPolarHBondContact OH-CA 3.22Å; Y1128-S1138 PolarHBondContact OH-O 3.4Å; D1136-S1138 PolarHBondContact O-N 3.34Å; D1136-S1138 PolarHBondContact OD1-N 3.26Å; D1136-S1138 PolarHBondContact OD1-OG 2.79Å; S1138-G1140 PolarHBondContact O-N 3Å
1139	K	45.4	Very low	56.7	Low	126 Å²	126	87.5 Å²	87.5	55%	0.548	45%	0.453	S	S	.	.			trans	-89	32.4	170.5	-60.6	-177.8	-174.2	171.4	0	112.5	Q1134 D1136	Q1134-K1139 HydrophobicContact CG-CB 4.06Å; Q1134-K1139 PolarHBondContact NE2-O 2.89Å; D1136-K1139 HydrophobicContact CB-CB 4.19Å; D1136-K1139 HydrophobicContact CB-CD 3.87Å; D1136-K1139 HydrophobicContact CB-CG 3.91Å; D1136-K1139 WeakPolarHBondContact O-CB 3.34Å; D1136-K1139 PolarHBondContact O-N 3.43Å; D1136-K1139 WeakPolarHBondContact OD2-CE 3.36Å; D1136-K1139 IonicContact OD2-NZ 3.88Å
1140	G	53.6	Low	57.4	Low	13 Å²	13	89.4 Å²	89.4	13%	0.134	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-66	153.1	159.3	0	0	0	0	0	111	Y1128 I1129 S1138	Y1128-G1140 WeakPolarHBondContact CE2-O 3.44Å; Y1128-G1140 WeakPolarHBondContact OH-CA 3.18Å; Y1128-G1140 PolarHBondContact OH-N 3.47Å; Y1128-G1140 VanDerWaalsContact OH-N 3.13Å; I1129-G1140 CarbonylContact O-C 3.6Å; I1129-G1140 WeakPolarHBondContact O-CA 3.43Å; S1138-G1140 PolarHBondContact O-N 3Å
1141	I	59.6	Low	58.2	Low	108 Å²	108	88.5 Å²	88.5	55%	0.554	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.8	-178.5	-59.5	172.5	0	0	0	107.9	I1129	I1129-I1141 PolarHBondContact N-O 3.35Å; I1129-I1141 PolarHBondContact O-N 3.36Å
1142	W	73.2	Confident	59.4	Low	93 Å²	93	85.9 Å²	85.9	35%	0.352	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	123.2	161.9	-68.9	96	0	0	0	108.2	G1085 R1087 E1126 E1127 Y1128	G1085-W1142 VanDerWaalsContact O-CZ3 3.26Å; G1085-W1142 WeakPolarHBondContact O-CZ3 3.34Å; R1087-W1142 HydrophobicContact CB-CH2 4.31Å; R1087-W1142 HydrophobicContact CB-CZ3 4.1Å; R1087-W1142 HydrophobicContact CG-CE3 3.93Å; R1087-W1142 HydrophobicContact CG-CH2 4Å; R1087-W1142 HydrophobicContact CG-CZ3 3.54Å; E1126-W1142 HydrophobicContact CB-CE3 3.91Å; E1127-W1142 WeakPolarHBondContact O-CA 3.4Å; Y1128-W1142 AromaticContact CD2-CD1 3.8Å; Y1128-W1142 AromaticContact CD2-CD2 3.77Å; Y1128-W1142 HydrophobicContact CD2-CD2 3.77Å; Y1128-W1142 AromaticContact CD2-CE2 3.53Å; Y1128-W1142 HydrophobicContact CD2-CE3 4.41Å; Y1128-W1142 AromaticContact CD2-CG 3.95Å; Y1128-W1142 HydrophobicContact CD2-CG 3.95Å; Y1128-W1142 HydrophobicContact CD2-CZ2 4.01Å; Y1128-W1142 AromaticContact CD2-NE1 3.53Å; Y1128-W1142 AromaticContact CE2-NE1 3.84Å; Y1128-W1142 HydrophobicContact CG-CD2 4.41Å; Y1128-W1142 HydrophobicContact CG-CZ2 4.3Å
1143	R	71.4	Confident	61.1	Low	94 Å²	94	86.4 Å²	86.4	36%	0.355	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	161.2	171.4	70.2	170.5	-165.3	-161.4	-5	109.9	E1126 E1127 I1129 A1145	E1126-R1143 CarbonylContact C-O 3.43Å; E1126-R1143 WeakPolarHBondContact CA-O 3.43Å; E1126-R1143 WeakPolarHBondContact CB-O 3.47Å; E1127-R1143 HydrophobicContact CG-CG 3.85Å; E1127-R1143 PolarHBondContact N-O 3.39Å; E1127-R1143 PolarHBondContact O-N 3.37Å; E1127-R1143 IonicContact OE1-CZ 2.71Å; E1127-R1143 IonicContact OE1-NE 2.68Å; E1127-R1143 PolarHBondContact OE1-NE 2.8Å; E1127-R1143 IonicContact OE1-NH2 3.44Å; E1127-R1143 PolarHBondContact OE1-NH2 3.29Å; I1129-R1143 HydrophobicContact CD1-CG 4.23Å; I1129-R1143 VanDerWaalsContact CD1-NE 3.26Å; R1143-A1145 PolarHBondContact O-N 3.07Å
1144	V	76	Confident	62.5	Low	90 Å²	90	84.8 Å²	84.8	55%	0.545	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	131.4	168.7	-178.1	0	0	0	0	108.9	V1124	V1124-V1144 HydrophobicContact CG1-CG1 3.99Å; V1124-V1144 HydrophobicContact CG1-CG2 3.98Å
1145	A	71.9	Confident	63	Low	4 Å²	4	84.2 Å²	84.2	3%	0.033	42%	0.423	C	S	.	.			trans	-66.9	135.2	-171.1	0	0	0	0	0	111.7	V1086 C1125 E1127 R1143 L1147 G1148 V1151	V1086-A1145 HydrophobicContact CG1-CB 4.49Å; C1125-A1145 HydrophobicContact CB-CB 4.48Å; C1125-A1145 PolarHBondContact O-N 3.12Å; E1127-A1145 HydrophobicContact CB-CB 3.95Å; E1127-A1145 HydrophobicContact CG-CB 4.19Å; R1143-A1145 PolarHBondContact O-N 3.07Å; A1145-L1147 PolarHBondContact O-N 3.15Å; A1145-G1148 PolarHBondContact O-N 3.48Å; A1145-V1151 HydrophobicContact CB-CB 3.97Å; A1145-V1151 HydrophobicContact CB-CG2 3.74Å
1146	Q	69.5	Low	64.5	Low	146 Å²	146	77.7 Å²	77.7	68%	0.682	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.6	-170.4	-95.8	-176.9	-31	0	0	116.1	E1127	E1127-Q1146 PolarHBondContact OE1-N 2.89Å
1147	L	68.7	Low	65.4	Low	108 Å²	108	79.6 Å²	79.6	57%	0.565	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	17.4	172.4	-45.9	172.8	0	0	0	112.5	A1145 L1150 V1151	A1145-L1147 PolarHBondContact O-N 3.15Å; L1147-L1150 HydrophobicContact CB-CB 4.07Å; L1147-L1150 HydrophobicContact CB-CD2 4.26Å; L1147-L1150 HydrophobicContact CD1-CD2 4.38Å; L1147-L1150 WeakPolarHBondContact O-CB 3.37Å; L1147-L1150 PolarHBondContact O-N 2.76Å; L1147-V1151 HydrophobicContact CB-CG2 3.62Å; L1147-V1151 HydrophobicContact CD1-CG2 4.37Å; L1147-V1151 HydrophobicContact CG-CG2 4.12Å
1148	G	74.3	Confident	66.7	Low	30 Å²	30	76.3 Å²	76.3	31%	0.309	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	-141.4	-178	0	0	0	0	0	113	A1145 L1150 V1151	A1145-G1148 PolarHBondContact O-N 3.48Å; G1148-L1150 PolarHBondContact O-N 3.18Å; G1148-V1151 PolarHBondContact O-N 3.33Å
1149	E	78	Confident	68.3	Low	108 Å²	108	80.8 Å²	80.8	51%	0.505	43%	0.43	S	S	.	.	H	α-helix	trans	-52.1	-27.6	176.4	-58.6	-161.2	139.8	0	0	113.5	W1088 V1151 C1152 H1153 A1160	W1088-E1149 HydrophobicContact CH2-CB 4.01Å; W1088-E1149 HydrophobicContact CH2-CG 3.86Å; W1088-E1149 HydrophobicContact CZ3-CG 4.28Å; E1149-V1151 PolarHBondContact O-N 3.46Å; E1149-V1151 VanDerWaalsContact O-N 3.15Å; E1149-C1152 PolarHBondContact O-N 2.81Å; E1149-C1152 VanDerWaalsContact O-N 3.14Å; E1149-H1153 WeakPolarHBondContact O-CB 3.47Å; E1149-H1153 PolarHBondContact O-N 3.15Å; E1149-A1160 WeakPolarHBondContact OE1-CB 3.5Å
1150	L	73.1	Confident	69.7	Low	88 Å²	88	76 Å²	76	46%	0.461	41%	0.413	S	S	.	.	H	α-helix	trans	-59.6	-28.2	-177.4	-161.9	76.8	0	0	0	112.3	L1147 G1148 K1154	L1147-L1150 HydrophobicContact CB-CB 4.07Å; L1147-L1150 HydrophobicContact CB-CD2 4.26Å; L1147-L1150 HydrophobicContact CD1-CD2 4.38Å; L1147-L1150 WeakPolarHBondContact O-CB 3.37Å; L1147-L1150 PolarHBondContact O-N 2.76Å; G1148-L1150 PolarHBondContact O-N 3.18Å; L1150-K1154 HydrophobicContact CG-CD 4.27Å; L1150-K1154 VanDerWaalsContact O-CB 3.24Å; L1150-K1154 WeakPolarHBondContact O-CB 3.24Å; L1150-K1154 WeakPolarHBondContact O-CG 3.36Å; L1150-K1154 PolarHBondContact O-N 2.88Å
1151	V	68.4	Low	70.4	Confident	26 Å²	26	77.9 Å²	77.9	16%	0.158	42%	0.423	C	S	.	.	H	α-helix	trans	-74.7	-46.2	176.9	-160.2	0	0	0	0	110.6	V1086 A1145 L1147 G1148 E1149 H1153 K1154 A1155	V1086-V1151 HydrophobicContact CG1-CB 4.05Å; V1086-V1151 HydrophobicContact CG1-CG1 3.51Å; A1145-V1151 HydrophobicContact CB-CB 3.97Å; A1145-V1151 HydrophobicContact CB-CG2 3.74Å; L1147-V1151 HydrophobicContact CB-CG2 3.62Å; L1147-V1151 HydrophobicContact CD1-CG2 4.37Å; L1147-V1151 HydrophobicContact CG-CG2 4.12Å; G1148-V1151 PolarHBondContact O-N 3.33Å; E1149-V1151 PolarHBondContact O-N 3.46Å; E1149-V1151 VanDerWaalsContact O-N 3.15Å; V1151-H1153 VanDerWaalsContact C-N 3.34Å; V1151-H1153 PolarHBondContact O-N 2.91Å; V1151-K1154 PolarHBondContact O-N 2.87Å; V1151-A1155 WeakPolarHBondContact O-CB 3.36Å; V1151-A1155 PolarHBondContact O-N 3.19Å
1152	C	74.3	Confident	70.9	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-62.3	-41.1	175.1	-72.3	0	0	0	0	111.9	W1088 C1125 E1149 A1155 G1156 L1157	W1088-C1152 HydrophobicContact CD2-CB 4.38Å; W1088-C1152 HydrophobicContact CH2-CB 4.12Å; W1088-C1152 HydrophobicContact CZ2-CB 3.67Å; C1125-C1152 VanDerWaalsContact CA-SG 3.52Å; C1125-C1152 HydrophobicContact CB-CB 3.94Å; C1125-C1152 WeakPolarHBondContact CB-SG 3.48Å; C1125-C1152 WeakPolarHBondContact SG-CB 3.29Å; C1125-C1152 PolarHBondContact SG-N 2.73Å; C1125-C1152 CovalentContact SG-SG 2.03Å; C1125-C1152 PolarHBondContact SG-SG 2.78Å; E1149-C1152 PolarHBondContact O-N 2.81Å; E1149-C1152 VanDerWaalsContact O-N 3.14Å; C1152-A1155 PolarHBondContact O-N 2.64Å; C1152-G1156 PolarHBondContact O-N 2.77Å; C1152-L1157 HydrophobicContact CB-CB 4.13Å; C1152-L1157 HydrophobicContact CB-CD1 3.98Å; C1152-L1157 WeakPolarHBondContact O-CB 3.4Å; C1152-L1157 PolarHBondContact O-N 3.12Å
1153	H	73.4	Confident	70.5	Confident	111 Å²	111	78 Å²	78	51%	0.514	44%	0.437	S	S	.	.	H	α-helix	trans	-65.9	-36.9	175.4	-167	-57.3	0	0	0	112.4	E1149 V1151 G1156	E1149-H1153 WeakPolarHBondContact O-CB 3.47Å; E1149-H1153 PolarHBondContact O-N 3.15Å; V1151-H1153 VanDerWaalsContact C-N 3.34Å; V1151-H1153 PolarHBondContact O-N 2.91Å; H1153-G1156 PolarHBondContact O-N 2.92Å
1154	K	65.2	Low	70	Confident	149 Å²	149	76.2 Å²	76.2	65%	0.648	44%	0.437	S	S	*	.	H	α-helix	trans	-73.2	-29.8	174.2	-79.1	174.8	177	178.1	0	113.2	L1150 V1151 G1156	L1150-K1154 HydrophobicContact CG-CD 4.27Å; L1150-K1154 VanDerWaalsContact O-CB 3.24Å; L1150-K1154 WeakPolarHBondContact O-CB 3.24Å; L1150-K1154 WeakPolarHBondContact O-CG 3.36Å; L1150-K1154 PolarHBondContact O-N 2.88Å; V1151-K1154 PolarHBondContact O-N 2.87Å; K1154-G1156 VanDerWaalsContact C-N 3.26Å; K1154-G1156 PolarHBondContact O-N 3.06Å
1155	A	63	Low	69.5	Low	58 Å²	58	72.9 Å²	72.9	48%	0.479	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-0.8	175.3	0	0	0	0	0	114	V1086 V1151 C1152	V1086-A1155 HydrophobicContact CG2-CB 3.24Å; V1151-A1155 WeakPolarHBondContact O-CB 3.36Å; V1151-A1155 PolarHBondContact O-N 3.19Å; C1152-A1155 PolarHBondContact O-N 2.64Å
1156	G	67.2	Low	69.5	Low	65 Å²	65	79.3 Å²	79.3	67%	0.67	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	12.4	177.3	0	0	0	0	0	115.2	C1152 H1153 K1154 G1158	C1152-G1156 PolarHBondContact O-N 2.77Å; H1153-G1156 PolarHBondContact O-N 2.92Å; K1154-G1156 VanDerWaalsContact C-N 3.26Å; K1154-G1156 PolarHBondContact O-N 3.06Å; G1156-G1158 PolarHBondContact O-N 2.79Å
1157	L	60.7	Low	69.4	Low	73 Å²	73	74.8 Å²	74.8	38%	0.382	43%	0.426	S	S	.	.			trans	-76.6	8.3	176.8	-61.8	175	0	0	0	113.7	V1086 W1088 C1152	V1086-L1157 HydrophobicContact CB-CD1 4.28Å; V1086-L1157 HydrophobicContact CG2-CD1 3.87Å; W1088-L1157 PolarHBondContact NE1-O 2.82Å; C1152-L1157 HydrophobicContact CB-CB 4.13Å; C1152-L1157 HydrophobicContact CB-CD1 3.98Å; C1152-L1157 WeakPolarHBondContact O-CB 3.4Å; C1152-L1157 PolarHBondContact O-N 3.12Å
1158	G	72.5	Confident	69.6	Low	38 Å²	38	75.2 Å²	75.2	39%	0.392	43%	0.433	S	S	.	.			trans	71.1	-157.1	-177.8	0	0	0	0	0	113.8	G1156	G1156-G1158 PolarHBondContact O-N 2.79Å
1159	K	74.8	Confident	69.3	Low	169 Å²	169	75.1 Å²	75.1	74%	0.735	43%	0.427	S	S	*	.	S	Bend	trans	-86.6	163.6	169.4	-64.1	-174.9	177.5	-175	0	110.1	W1088	W1088-K1159 VanDerWaalsContact CZ2-C 3.46Å
1160	A	74.3	Confident	68.7	Low	25 Å²	25	76.8 Å²	76.8	21%	0.207	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-56.7	140.8	170	0	0	0	0	0	110.7	W1088 E1149	W1088-A1160 HydrophobicContact CE3-CB 4.24Å; W1088-A1160 HydrophobicContact CH2-CB 3.69Å; W1088-A1160 HydrophobicContact CZ2-CB 4.2Å; W1088-A1160 HydrophobicContact CZ3-CB 3.7Å; E1149-A1160 WeakPolarHBondContact OE1-CB 3.5Å
1161	P	69.8	Low	68.3	Low	53 Å²	53	73.4 Å²	73.4	34%	0.344	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-58.2	155.5	164.8	-20.8	32.1	0	0	0	111.2	Y1123 Q1163	Y1123-P1161 HydrophobicContact CD1-CG 4.18Å; Y1123-P1161 HydrophobicContact CD2-CB 3.59Å; Y1123-P1161 HydrophobicContact CD2-CG 3.63Å; Y1123-P1161 HydrophobicContact CE1-CG 4.25Å; Y1123-P1161 HydrophobicContact CE2-CB 3.61Å; Y1123-P1161 HydrophobicContact CE2-CG 3.7Å; Y1123-P1161 HydrophobicContact CG-CB 4.3Å; Y1123-P1161 HydrophobicContact CG-CG 3.86Å; P1161-Q1163 PolarHBondContact O-N 2.8Å
1162	S	69.7	Low	68	Low	103 Å²	103	73.5 Å²	73.5	72%	0.72	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-55.4	122	-178.8	52.1	0	0	0	0	111.7	P1164	S1162-P1164 CarbonylContact O-C 3.48Å
1163	Q	65.1	Low	67.8	Low	100 Å²	100	76.8 Å²	76.8	47%	0.467	44%	0.443	S	S	.	.	S	Bend	trans	-94.9	137.7	177.3	-58.4	-176.3	-5	0	0	110.3	E1122 Y1123 P1161	E1122-Q1163 HydrophobicContact CG-CG 4.45Å; Y1123-Q1163 PolarHBondContact O-NE2 2.89Å; Y1123-Q1163 VanDerWaalsContact O-NE2 3.09Å; P1161-Q1163 PolarHBondContact O-N 2.8Å
1164	P	61	Low	67.8	Low	57 Å²	57	75.1 Å²	75.1	37%	0.37	44%	0.435	S	S	.	.	S	Bend	cis	-78	149.4	-7.2	34.8	-36	0	0	0	112.4	M1093 S1162	M1093-P1164 HydrophobicContact CE-CB 3.88Å; M1093-P1164 HydrophobicContact CG-CB 4.3Å; M1093-P1164 HydrophobicContact SD-CB 3.39Å; M1093-P1164 WeakPolarHBondContact SD-CB 3.44Å; M1093-P1164 HydrophobicContact SD-CG 4.25Å; S1162-P1164 CarbonylContact O-C 3.48Å
1165	A	65.2	Low	68.3	Low	19 Å²	19	69.7 Å²	69.7	16%	0.157	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	160.3	169.6	0	0	0	0	0	110.5	A1120 V1121 Y1123	A1120-A1165 WeakPolarHBondContact CA-O 3.07Å; V1121-A1165 HydrophobicContact CG2-CB 4.03Å; V1121-A1165 PolarHBondContact N-O 2.86Å; V1121-A1165 PolarHBondContact O-N 3.3Å; Y1123-A1165 HydrophobicContact CD2-CB 4.28Å; Y1123-A1165 HydrophobicContact CE2-CB 3.65Å
1166	Y	71.8	Confident	69	Low	139 Å²	139	67.5 Å²	67.5	55%	0.545	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.8	177.5	-64.7	-91.9	0	0	0	110.4	E1119 A1120	E1119-Y1166 CarbonylContact O-C 3.59Å; E1119-Y1166 VanDerWaalsContact O-CA 3.3Å; E1119-Y1166 WeakPolarHBondContact O-CA 3.41Å; A1120-Y1166 HydrophobicContact CB-CD1 4Å; A1120-Y1166 HydrophobicContact CB-CE1 3.82Å
1167	V	66.7	Low	69.9	Low	51 Å²	51	66.5 Å²	66.5	31%	0.309	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149.6	-180	-69.6	0	0	0	0	110.8	H1118 E1119 V1121	H1118-V1167 CarbonylContact C-O 3.5Å; H1118-V1167 VanDerWaalsContact CA-O 3.26Å; H1118-V1167 WeakPolarHBondContact CA-O 3.32Å; E1119-V1167 HydrophobicContact CB-CG2 4.17Å; E1119-V1167 HydrophobicContact CG-CG2 4.5Å; E1119-V1167 PolarHBondContact N-O 2.77Å; E1119-V1167 PolarHBondContact O-N 3.19Å; V1121-V1167 HydrophobicContact CG1-CG2 3.93Å; V1121-V1167 HydrophobicContact CG2-CG1 4.08Å; V1121-V1167 HydrophobicContact CG2-CG2 4.46Å
1168	T	72.3	Confident	71.2	Confident	117 Å²	117	63.6 Å²	63.6	72%	0.718	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	148.1	177	40.8	0	0	0	0	112.3	G1117	G1117-T1168 WeakPolarHBondContact O-CA 3.37Å
1169	C	68	Low	71.8	Confident	29 Å²	29	61.9 Å²	61.9	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	176.6	-175.6	53.9	0	0	0	0	111.3	C1110 E1116 G1117 H1118	C1110-C1169 WeakPolarHBondContact CA-SG 3.36Å; C1110-C1169 HydrophobicContact CB-CB 3.78Å; C1110-C1169 WeakPolarHBondContact CB-SG 3.47Å; C1110-C1169 WeakPolarHBondContact SG-CB 3.18Å; C1110-C1169 CovalentContact SG-SG 2.03Å; C1110-C1169 PolarHBondContact SG-SG 2.95Å; E1116-C1169 WeakPolarHBondContact CA-O 3.24Å; G1117-C1169 PolarHBondContact N-O 2.86Å; G1117-C1169 PolarHBondContact O-N 3.18Å; G1117-C1169 PolarHBondContact O-SG 3.41Å; H1118-C1169 VanDerWaalsContact C-SG 3.57Å; H1118-C1169 PolarHBondContact N-SG 3.14Å; H1118-C1169 VanDerWaalsContact N-SG 3.43Å
1170	K	66.2	Low	72.3	Confident	143 Å²	143	54.9 Å²	54.9	62%	0.622	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.3	173.2	-77	-175.5	173.1	-174.7	0	111.4	N1115 E1116	N1115-K1170 WeakPolarHBondContact O-CA 3.47Å; E1116-K1170 VanDerWaalsContact CD-CE 3.44Å; E1116-K1170 HydrophobicContact CG-CD 4.22Å; E1116-K1170 HydrophobicContact CG-CG 3.81Å; E1116-K1170 WeakPolarHBondContact OE1-CE 3.46Å; E1116-K1170 IonicContact OE1-NZ 2.63Å; E1116-K1170 PolarHBondContact OE1-NZ 2.94Å
1171	G	63.9	Low	72.6	Confident	17 Å²	17	55.1 Å²	55.1	18%	0.175	31%	0.309	C	S	.	.			trans	-72.8	156.5	171.6	0	0	0	0	0	113.1	A1112 R1113 N1115	A1112-G1171 VanDerWaalsContact O-CA 3.22Å; A1112-G1171 WeakPolarHBondContact O-CA 3Å; R1113-G1171 CarbonylContact O-C 3.55Å; R1113-G1171 VanDerWaalsContact O-CA 3.28Å; R1113-G1171 WeakPolarHBondContact O-CA 3.45Å; N1115-G1171 PolarHBondContact O-N 2.85Å
1172	S	63.7	Low	73.1	Confident	27 Å²	27	58.3 Å²	58.3	19%	0.189	32%	0.323	C	S	.	.			trans	-88.3	-26.4	-171.7	67.3	0	0	0	0	115.3	R1113 H1174 D1203	R1113-S1172 PolarHBondContact O-N 3.05Å; S1172-H1174 PolarHBondContact O-CE1 2.85Å; S1172-H1174 PolarHBondContact O-N 2.93Å; S1172-H1174 VanDerWaalsContact O-N 3.17Å; S1172-H1174 PolarHBondContact O-ND1 3.3Å; S1172-H1174 PolarHBondContact OG-N 2.6Å; S1172-D1203 PolarHBondContact OG-OD2 2.85Å
1173	C	70.1	Confident	73.6	Confident	70 Å²	70	56.8 Å²	56.8	47%	0.473	30%	0.302	S	S	.	.			trans	54.7	14.4	-166.8	-61.9	0	0	0	0	116.7	R1113 C1114	R1113-C1173 PolarHBondContact O-N 2.98Å; C1114-C1173 WeakPolarHBondContact CA-SG 3.31Å; C1114-C1173 HydrophobicContact CB-CB 4.48Å; C1114-C1173 WeakPolarHBondContact CB-SG 2.99Å; C1114-C1173 WeakPolarHBondContact SG-CA 3.49Å; C1114-C1173 WeakPolarHBondContact SG-CB 3.47Å; C1114-C1173 CovalentContact SG-SG 2.04Å; C1114-C1173 PolarHBondContact SG-SG 2.86Å
1174	H	73.2	Confident	74.2	Confident	75 Å²	75	55.2 Å²	55.2	35%	0.347	30%	0.299	S	S	.	.			trans	-74.8	153.4	-176.4	-74.8	52.2	0	0	0	112.4	R1113 S1172 D1203 E1204 I1205	R1113-H1174 PolarHBondContact NH1-O 2.91Å; S1172-H1174 PolarHBondContact O-CE1 2.85Å; S1172-H1174 PolarHBondContact O-N 2.93Å; S1172-H1174 VanDerWaalsContact O-N 3.17Å; S1172-H1174 PolarHBondContact O-ND1 3.3Å; S1172-H1174 PolarHBondContact OG-N 2.6Å; H1174-D1203 HydrophobicContact CB-CB 3.87Å; H1174-E1204 HydrophobicContact CB-CB 4.37Å; H1174-I1205 HydrophobicContact CB-CG1 4.13Å; H1174-I1205 VanDerWaalsContact CD2-CG1 3.41Å; H1174-I1205 WeakPolarHBondContact CD2-CG1 3.49Å
1175	P	74.5	Confident	74.8	Confident	35 Å²	35	61.1 Å²	61.1	23%	0.227	32%	0.321	C	S	.	.			trans	-57.9	144.7	175.6	-22.8	33.1	0	0	0	112.2	Y1177 D1203 E1204 Y1217	P1175-Y1177 HydrophobicContact CB-CE2 4.3Å; P1175-D1203 CarbonylContact O-C 3.46Å; P1175-D1203 WeakPolarHBondContact O-CA 3.23Å; P1175-D1203 WeakPolarHBondContact O-CB 3.49Å; P1175-E1204 HydrophobicContact CB-CG 4.18Å; P1175-E1204 HydrophobicContact CG-CG 4.22Å; P1175-E1204 PolarHBondContact O-N 3.14Å; P1175-Y1217 HydrophobicContact CB-CE1 4.45Å
1176	V	78.5	Confident	75.5	Confident	12 Å²	12	61.4 Å²	61.4	7%	0.073	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	148.2	-172.9	-65.7	0	0	0	0	113.2	Q1202 D1203 Y1217	V1176-Q1202 CarbonylContact C-O 3.49Å; V1176-Q1202 WeakPolarHBondContact CA-O 3.18Å; V1176-D1203 HydrophobicContact CG1-CB 4.03Å; V1176-Y1217 HydrophobicContact CG2-CD1 4.39Å; V1176-Y1217 HydrophobicContact CG2-CD2 4.23Å; V1176-Y1217 HydrophobicContact CG2-CG 3.91Å
1177	Y	85.6	Confident	75.8	Confident	44 Å²	44	59.6 Å²	59.6	17%	0.173	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148	-174.7	-56.9	-95	0	0	0	111.1	P1175 I1179 Q1202 E1204 C1214 A1227 P1228	P1175-Y1177 HydrophobicContact CB-CE2 4.3Å; Y1177-I1179 PolarHBondContact O-N 3.12Å; Y1177-Q1202 PolarHBondContact N-O 2.93Å; Y1177-Q1202 PolarHBondContact O-N 2.94Å; Y1177-E1204 HydrophobicContact CE2-CG 3.62Å; Y1177-E1204 PolarHBondContact OH-OE1 3.16Å; Y1177-C1214 VanDerWaalsContact C-SG 3.57Å; Y1177-C1214 PolarHBondContact O-SG 2.86Å; Y1177-C1214 VanDerWaalsContact O-SG 3.38Å; Y1177-A1227 HydrophobicContact CD1-CB 4.17Å; Y1177-A1227 HydrophobicContact CE1-CB 3.93Å; Y1177-P1228 HydrophobicContact CD2-CG 4.26Å; Y1177-P1228 HydrophobicContact CG-CG 4.28Å
1178	W	88.5	Confident	76.1	Confident	13 Å²	13	61 Å²	61	5%	0.049	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	112.4	168.4	-72	98.2	0	0	0	110.4	L1199 L1211 C1214 M1215 S1231 I1232 A1237 I1241	W1178-L1199 HydrophobicContact CE3-CD1 4Å; W1178-L1199 HydrophobicContact CE3-CD2 4.2Å; W1178-L1199 HydrophobicContact CE3-CG 4.12Å; W1178-L1199 HydrophobicContact CZ3-CD2 4.13Å; W1178-L1199 HydrophobicContact CZ3-CG 4.33Å; W1178-L1211 HydrophobicContact CH2-CB 4.31Å; W1178-L1211 HydrophobicContact CH2-CD2 4.3Å; W1178-L1211 HydrophobicContact CZ3-CD2 3.79Å; W1178-C1214 HydrophobicContact CD2-CB 3.95Å; W1178-C1214 VanDerWaalsContact CE2-CB 3.47Å; W1178-C1214 HydrophobicContact CG-CB 4.31Å; W1178-C1214 HydrophobicContact CH2-CB 4.42Å; W1178-C1214 HydrophobicContact CZ2-CB 3.72Å; W1178-C1214 PolarHBondContact NE1-O 3.29Å; W1178-M1215 HydrophobicContact CH2-CG 4.04Å; W1178-M1215 HydrophobicContact CH2-SD 4.03Å; W1178-M1215 HydrophobicContact CZ2-CG 3.71Å; W1178-M1215 HydrophobicContact CZ2-SD 3.58Å; W1178-M1215 VanDerWaalsContact CZ2-SD 3.58Å; W1178-S1231 CarbonylContact O-C 3.58Å; W1178-S1231 WeakPolarHBondContact O-CA 3.11Å; W1178-I1232 HydrophobicContact CB-CG1 3.75Å; W1178-I1232 PolarHBondContact O-N 3.37Å; W1178-A1237 HydrophobicContact CB-CB 4.1Å; W1178-A1237 HydrophobicContact CD2-CB 3.36Å; W1178-A1237 HydrophobicContact CE3-CB 3.51Å; W1178-A1237 HydrophobicContact CG-CB 3.63Å; W1178-A1237 HydrophobicContact CH2-CB 4.49Å; W1178-A1237 HydrophobicContact CZ2-CB 4.4Å; W1178-A1237 HydrophobicContact CZ3-CB 4.06Å; W1178-I1241 HydrophobicContact CH2-CD1 3.92Å; W1178-I1241 HydrophobicContact CZ3-CD1 4.21Å
1179	I	85.3	Confident	76	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.5	-175.8	-55.4	-55.3	0	0	0	111.5	Y1177 L1199 Y1200 Q1202 P1228 Q1230	Y1177-I1179 PolarHBondContact O-N 3.12Å; I1179-L1199 WeakPolarHBondContact O-CA 3.33Å; I1179-Y1200 HydrophobicContact CB-CD1 4.45Å; I1179-Y1200 HydrophobicContact CB-CD2 4.35Å; I1179-Y1200 HydrophobicContact CB-CE1 4.07Å; I1179-Y1200 HydrophobicContact CB-CE2 4Å; I1179-Y1200 HydrophobicContact CG2-CE1 3.77Å; I1179-Y1200 HydrophobicContact CG2-CE2 4.06Å; I1179-Y1200 VanDerWaalsContact CG2-CZ 3.46Å; I1179-Y1200 WeakPolarHBondContact CG2-OH 3.29Å; I1179-Y1200 PolarHBondContact N-O 2.95Å; I1179-Y1200 WeakPolarHBondContact O-CD1 3.49Å; I1179-Y1200 PolarHBondContact O-N 2.87Å; I1179-Q1202 HydrophobicContact CB-CB 4.48Å; I1179-Q1202 HydrophobicContact CG1-CB 3.69Å; I1179-P1228 HydrophobicContact CD1-CB 4.02Å; I1179-P1228 HydrophobicContact CD1-CG 4.15Å; I1179-Q1230 HydrophobicContact CG2-CB 3.79Å
1180	L	85.4	Confident	76.2	Confident	22 Å²	22	55.5 Å²	55.5	12%	0.115	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.4	168.6	-94.2	169.4	0	0	0	111.5	R1197 L1199 Q1230 I1232 I1240	L1180-R1197 HydrophobicContact CD2-CG 4.34Å; L1180-L1199 HydrophobicContact CD2-CB 4.31Å; L1180-L1199 HydrophobicContact CG-CD1 4.27Å; L1180-Q1230 PolarHBondContact N-O 3.33Å; L1180-Q1230 VanDerWaalsContact N-O 3.08Å; L1180-Q1230 WeakPolarHBondContact O-CB 3.2Å; L1180-Q1230 WeakPolarHBondContact O-CG 3.19Å; L1180-I1232 HydrophobicContact CD1-CD1 4.1Å; L1180-I1232 HydrophobicContact CD1-CG2 3.86Å; L1180-I1232 HydrophobicContact CG-CD1 4.28Å; L1180-I1240 HydrophobicContact CD1-CD1 3.86Å; L1180-I1240 HydrophobicContact CD2-CD1 4.2Å; L1180-I1240 HydrophobicContact CG-CD1 4.33Å
1181	S	80.7	Confident	76.4	Confident	29 Å²	29	48.9 Å²	48.9	20%	0.203	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-67.4	159.4	170.6	86.7	0	0	0	0	111.8	R1197 I1198	S1181-R1197 WeakPolarHBondContact OG-CA 3.34Å; S1181-I1198 PolarHBondContact N-O 3.32Å; S1181-I1198 PolarHBondContact OG-N 2.8Å
1182	N	80	Confident	76.8	Confident	121 Å²	121	50.5 Å²	50.5	65%	0.647	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-59.6	156.4	160.1	-66.9	-15.9	0	0	0	110.2	Q1230	N1182-Q1230 PolarHBondContact OD1-NE2 3.07Å
1183	W	79.5	Confident	77.4	Confident	71 Å²	71	49.7 Å²	49.7	27%	0.269	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-66.1	145	165.5	-66	101.7	0	0	0	110.5	R1195 K1196 R1197 Q1262 N1264	W1183-R1195 HydrophobicContact CD2-CG 4.27Å; W1183-R1195 HydrophobicContact CE3-CB 4.28Å; W1183-R1195 HydrophobicContact CE3-CG 3.81Å; W1183-R1195 HydrophobicContact CZ3-CG 4.48Å; W1183-K1196 CarbonylContact C-O 3.53Å; W1183-K1196 WeakPolarHBondContact CA-O 3.37Å; W1183-K1196 VanDerWaalsContact CE3-C 3.47Å; W1183-R1197 HydrophobicContact CD2-CB 4.01Å; W1183-R1197 HydrophobicContact CD2-CG 4.07Å; W1183-R1197 HydrophobicContact CE3-CB 3.86Å; W1183-R1197 HydrophobicContact CE3-CG 3.92Å; W1183-R1197 HydrophobicContact CG-CB 4.46Å; W1183-R1197 HydrophobicContact CH2-CG 3.79Å; W1183-R1197 HydrophobicContact CZ2-CG 3.98Å; W1183-R1197 HydrophobicContact CZ3-CB 4.18Å; W1183-R1197 HydrophobicContact CZ3-CG 3.78Å; W1183-Q1262 HydrophobicContact CH2-CG 4.24Å; W1183-Q1262 WeakPolarHBondContact CZ3-O 3.5Å; W1183-N1264 HydrophobicContact CE3-CB 4.21Å; W1183-N1264 HydrophobicContact CH2-CB 3.34Å; W1183-N1264 HydrophobicContact CZ2-CB 3.9Å; W1183-N1264 HydrophobicContact CZ3-CB 3.5Å
1184	T	78.9	Confident	77.7	Confident	66 Å²	66	49.1 Å²	49.1	41%	0.405	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-64	162.9	168.3	59.8	0	0	0	0	111.8	R1195 K1196	T1184-R1195 WeakPolarHBondContact OG1-CA 3.33Å; T1184-K1196 HydrophobicContact CG2-CG 3.66Å; T1184-K1196 PolarHBondContact N-O 3.49Å; T1184-K1196 PolarHBondContact OG1-N 3.37Å
1185	E	73.4	Confident	78	Confident	181 Å²	181	49.4 Å²	49.4	85%	0.846	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-51.4	156.5	157.8	-66.3	179.8	-178.6	0	0	111.1
1186	C	78.7	Confident	78.3	Confident	25 Å²	25	50.8 Å²	50.8	17%	0.169	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-73.6	130.7	176.8	-156.3	0	0	0	0	109.9	N1188 G1193 C1266 F1267	C1186-N1188 PolarHBondContact O-N 3.12Å; C1186-N1188 VanDerWaalsContact O-N 3.08Å; C1186-G1193 VanDerWaalsContact SG-CA 3.54Å; C1186-C1266 WeakPolarHBondContact CA-SG 3.35Å; C1186-C1266 HydrophobicContact CB-CB 3.89Å; C1186-C1266 WeakPolarHBondContact CB-SG 3.04Å; C1186-C1266 WeakPolarHBondContact SG-CB 3.3Å; C1186-C1266 CovalentContact SG-SG 2.04Å; C1186-C1266 PolarHBondContact SG-SG 2.88Å; C1186-F1267 PolarHBondContact SG-N 3.38Å; C1186-F1267 VanDerWaalsContact SG-N 3.35Å
1187	N	78.8	Confident	78.4	Confident	101 Å²	101	52.9 Å²	52.9	54%	0.54	27%	0.269	S	S	.	.	S	Bend	trans	-61.5	-21.2	-173	65.3	-6.6	0	0	0	114.9	G1193 T1194	N1187-G1193 WeakPolarHBondContact OD1-CA 3.45Å; N1187-T1194 PolarHBondContact N-O 2.88Å; N1187-T1194 PolarHBondContact ND2-OG1 3.46Å; N1187-T1194 PolarHBondContact OD1-N 3.48Å
1188	N	73.1	Confident	78.3	Confident	80 Å²	80	53 Å²	53	43%	0.428	27%	0.272	S	S	.	.			trans	-106.9	122.3	172	-74.1	-32.2	0	0	0	110.7	C1186 C1190 D1192	C1186-N1188 PolarHBondContact O-N 3.12Å; C1186-N1188 VanDerWaalsContact O-N 3.08Å; N1188-C1190 PolarHBondContact O-N 2.89Å; N1188-D1192 WeakPolarHBondContact CB-O 3.5Å; N1188-D1192 PolarHBondContact ND2-O 3.15Å
1189	S	70.6	Confident	78.2	Confident	31 Å²	31	52.4 Å²	52.4	22%	0.217	27%	0.27	C	S	.	.	S	Bend	trans	-80.5	7.5	177.7	64.2	0	0	0	0	114.6	L1269 S1270 K1271	S1189-L1269 CarbonylContact O-C 3.58Å; S1189-S1270 WeakPolarHBondContact CA-OG 3.39Å; S1189-S1270 WeakPolarHBondContact CB-OG 3.43Å; S1189-S1270 PolarHBondContact O-N 3.44Å; S1189-S1270 PolarHBondContact O-OG 2.93Å; S1189-K1271 PolarHBondContact O-N 3Å; S1189-K1271 VanDerWaalsContact OG-CD 3.22Å; S1189-K1271 WeakPolarHBondContact OG-CD 3.44Å; S1189-K1271 WeakPolarHBondContact OG-CE 3.24Å; S1189-K1271 WeakPolarHBondContact OG-CG 3.27Å
1190	C	71.4	Confident	78.3	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.007	28%	0.275	C	S	.	.	S	Bend	trans	-162.3	111.7	173.9	-171.3	0	0	0	0	107.8	N1188 S1268 C1272 S1334 L1335	N1188-C1190 PolarHBondContact O-N 2.89Å; C1190-S1268 CarbonylContact C-O 3.59Å; C1190-S1268 WeakPolarHBondContact CA-O 3.44Å; C1190-S1268 PolarHBondContact N-O 2.89Å; C1190-C1272 HydrophobicContact CB-CB 3.97Å; C1190-C1272 WeakPolarHBondContact CB-SG 3.41Å; C1190-C1272 WeakPolarHBondContact SG-CB 3.43Å; C1190-C1272 CovalentContact SG-SG 2.04Å; C1190-C1272 PolarHBondContact SG-SG 3.09Å; C1190-S1334 WeakPolarHBondContact O-CB 3.32Å; C1190-S1334 PolarHBondContact O-OG 3.05Å; C1190-L1335 VanDerWaalsContact SG-CD2 3.57Å
1191	G	70.1	Confident	78.3	Confident	4 Å²	4	52.8 Å²	52.8	4%	0.041	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	111.1	-167.8	-177.8	0	0	0	0	0	114.2	F1267 S1268	G1191-F1267 WeakPolarHBondContact O-CA 3.11Å; G1191-S1268 PolarHBondContact N-O 3.5Å; G1191-S1268 PolarHBondContact O-N 3.44Å
1192	D	72.7	Confident	78.5	Confident	50 Å²	50	53.2 Å²	53.2	27%	0.267	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	157.9	170.9	-44.7	-83.6	0	0	0	110.8	N1188 C1266 K1337 Y1338 K1362	N1188-D1192 WeakPolarHBondContact CB-O 3.5Å; N1188-D1192 PolarHBondContact ND2-O 3.15Å; D1192-C1266 WeakPolarHBondContact CA-O 3Å; D1192-K1337 IonicContact OD2-NZ 3.14Å; D1192-K1337 PolarHBondContact OD2-NZ 3.2Å; D1192-Y1338 VanDerWaalsContact CG-OH 3.3Å; D1192-Y1338 PolarHBondContact OD1-OH 2.94Å; D1192-Y1338 PolarHBondContact OD2-OH 2.94Å; D1192-K1362 IonicContact OD1-NZ 3.95Å
1193	G	76.9	Confident	78.4	Confident	10 Å²	10	47.6 Å²	47.6	10%	0.103	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	-168.6	174.5	0	0	0	0	0	112.2	C1186 N1187 C1266	C1186-G1193 VanDerWaalsContact SG-CA 3.54Å; N1187-G1193 WeakPolarHBondContact OD1-CA 3.45Å; G1193-C1266 PolarHBondContact N-O 2.9Å; G1193-C1266 PolarHBondContact O-N 3.4Å; G1193-C1266 VanDerWaalsContact O-O 3.07Å; G1193-C1266 PolarHBondContact O-SG 3.28Å; G1193-C1266 VanDerWaalsContact O-SG 3.39Å
1194	T	76.2	Confident	77.9	Confident	59 Å²	59	49.5 Å²	49.5	36%	0.362	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149	173.8	57.5	0	0	0	0	111.7	N1187 C1266	N1187-T1194 PolarHBondContact N-O 2.88Å; N1187-T1194 PolarHBondContact ND2-OG1 3.46Å; N1187-T1194 PolarHBondContact OD1-N 3.48Å; T1194-C1266 VanDerWaalsContact CA-SG 3.56Å; T1194-C1266 PolarHBondContact N-SG 2.97Å; T1194-C1266 VanDerWaalsContact N-SG 3.45Å
1195	R	78.6	Confident	77.4	Confident	80 Å²	80	51.5 Å²	51.5	30%	0.302	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	149.1	176.1	55.4	178.5	173	160.6	4.2	109.7	W1183 T1184 N1264 D1265 C1266	W1183-R1195 HydrophobicContact CD2-CG 4.27Å; W1183-R1195 HydrophobicContact CE3-CB 4.28Å; W1183-R1195 HydrophobicContact CE3-CG 3.81Å; W1183-R1195 HydrophobicContact CZ3-CG 4.48Å; T1184-R1195 WeakPolarHBondContact OG1-CA 3.33Å; R1195-N1264 HydrophobicContact CG-CB 4.38Å; R1195-N1264 VanDerWaalsContact CG-O 3.26Å; R1195-N1264 WeakPolarHBondContact CG-O 3.48Å; R1195-N1264 PolarHBondContact N-O 3.38Å; R1195-N1264 PolarHBondContact NH2-ND2 3.46Å; R1195-N1264 PolarHBondContact O-N 2.77Å; R1195-N1264 VanDerWaalsContact O-O 3.05Å; R1195-D1265 PolarHBondContact NE-O 2.85Å; R1195-C1266 HydrophobicContact CB-CB 4.27Å; R1195-C1266 HydrophobicContact CG-CB 3.84Å
1196	K	80.9	Confident	77.3	Confident	65 Å²	65	44.6 Å²	44.6	28%	0.283	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	154.7	178.3	67.4	175	-166.6	160.8	0	112	W1183 T1184 E1261 Q1262 Y1263	W1183-K1196 CarbonylContact C-O 3.53Å; W1183-K1196 WeakPolarHBondContact CA-O 3.37Å; W1183-K1196 VanDerWaalsContact CE3-C 3.47Å; T1184-K1196 HydrophobicContact CG2-CG 3.66Å; T1184-K1196 PolarHBondContact N-O 3.49Å; T1184-K1196 PolarHBondContact OG1-N 3.37Å; K1196-E1261 WeakPolarHBondContact CD-OE1 3.35Å; K1196-E1261 WeakPolarHBondContact CE-OE1 3.26Å; K1196-E1261 IonicContact NZ-OE1 3.69Å; K1196-E1261 PolarHBondContact NZ-OE1 2.55Å; K1196-Q1262 CarbonylContact C-O 3.44Å; K1196-Q1262 WeakPolarHBondContact CA-O 3.1Å; K1196-Y1263 HydrophobicContact CB-CD1 4.02Å; K1196-Y1263 HydrophobicContact CB-CE1 4Å; K1196-Y1263 HydrophobicContact CD-CE1 4.48Å
1197	R	81.5	Confident	76.9	Confident	56 Å²	56	45.8 Å²	45.8	21%	0.211	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	168.5	167.1	72	177	-177.7	173.1	3.5	110.3	L1180 S1181 W1183 Q1262	L1180-R1197 HydrophobicContact CD2-CG 4.34Å; S1181-R1197 WeakPolarHBondContact OG-CA 3.34Å; W1183-R1197 HydrophobicContact CD2-CB 4.01Å; W1183-R1197 HydrophobicContact CD2-CG 4.07Å; W1183-R1197 HydrophobicContact CE3-CB 3.86Å; W1183-R1197 HydrophobicContact CE3-CG 3.92Å; W1183-R1197 HydrophobicContact CG-CB 4.46Å; W1183-R1197 HydrophobicContact CH2-CG 3.79Å; W1183-R1197 HydrophobicContact CZ2-CG 3.98Å; W1183-R1197 HydrophobicContact CZ3-CB 4.18Å; W1183-R1197 HydrophobicContact CZ3-CG 3.78Å; R1197-Q1262 HydrophobicContact CG-CB 4.09Å; R1197-Q1262 PolarHBondContact N-O 3.22Å; R1197-Q1262 PolarHBondContact O-N 3.35Å
1198	I	84.1	Confident	76.7	Confident	46 Å²	46	43.6 Å²	43.6	24%	0.236	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.9	-167.3	-56.4	-177.4	0	0	0	108.8	S1181 Y1200 Y1259 I1260	S1181-I1198 PolarHBondContact N-O 3.32Å; S1181-I1198 PolarHBondContact OG-N 2.8Å; I1198-Y1200 HydrophobicContact CG2-CD1 4.07Å; I1198-Y1259 VanDerWaalsContact CG2-CB 3.42Å; I1198-Y1259 HydrophobicContact CG2-CD2 3.8Å; I1198-Y1259 HydrophobicContact CG2-CG 3.71Å; I1198-I1260 WeakPolarHBondContact CA-O 3.37Å
1199	L	86	Confident	76.8	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.9	165.9	174.2	70.1	0	0	0	108.5	W1178 I1179 L1180 I1232 A1237 I1240 I1241 Y1259 I1260	W1178-L1199 HydrophobicContact CE3-CD1 4Å; W1178-L1199 HydrophobicContact CE3-CD2 4.2Å; W1178-L1199 HydrophobicContact CE3-CG 4.12Å; W1178-L1199 HydrophobicContact CZ3-CD2 4.13Å; W1178-L1199 HydrophobicContact CZ3-CG 4.33Å; I1179-L1199 WeakPolarHBondContact O-CA 3.33Å; L1180-L1199 HydrophobicContact CD2-CB 4.31Å; L1180-L1199 HydrophobicContact CG-CD1 4.27Å; L1199-I1232 HydrophobicContact CD1-CD1 3.63Å; L1199-I1232 HydrophobicContact CD1-CG1 4.41Å; L1199-A1237 HydrophobicContact CD2-CB 4.39Å; L1199-I1240 HydrophobicContact CB-CG2 4.23Å; L1199-I1240 HydrophobicContact CD2-CB 3.97Å; L1199-I1240 HydrophobicContact CD2-CG2 3.76Å; L1199-I1241 HydrophobicContact CD2-CG1 4.36Å; L1199-Y1259 CarbonylContact O-C 3.5Å; L1199-Y1259 WeakPolarHBondContact O-CA 3.15Å; L1199-Y1259 VanDerWaalsContact O-CB 3.27Å; L1199-Y1259 WeakPolarHBondContact O-CB 3.42Å; L1199-I1260 HydrophobicContact CB-CB 4.4Å; L1199-I1260 PolarHBondContact N-O 2.92Å; L1199-I1260 PolarHBondContact O-N 2.89Å
1200	Y	87.9	Confident	77.1	Confident	31 Å²	31	40.1 Å²	40.1	12%	0.122	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	162.5	-177.6	59.4	-77.3	0	0	0	112.4	I1179 I1198 Q1202 N1208 L1258	I1179-Y1200 HydrophobicContact CB-CD1 4.45Å; I1179-Y1200 HydrophobicContact CB-CD2 4.35Å; I1179-Y1200 HydrophobicContact CB-CE1 4.07Å; I1179-Y1200 HydrophobicContact CB-CE2 4Å; I1179-Y1200 HydrophobicContact CG2-CE1 3.77Å; I1179-Y1200 HydrophobicContact CG2-CE2 4.06Å; I1179-Y1200 VanDerWaalsContact CG2-CZ 3.46Å; I1179-Y1200 WeakPolarHBondContact CG2-OH 3.29Å; I1179-Y1200 PolarHBondContact N-O 2.95Å; I1179-Y1200 WeakPolarHBondContact O-CD1 3.49Å; I1179-Y1200 PolarHBondContact O-N 2.87Å; I1198-Y1200 HydrophobicContact CG2-CD1 4.07Å; Y1200-Q1202 HydrophobicContact CD2-CB 4.07Å; Y1200-Q1202 HydrophobicContact CE2-CB 3.94Å; Y1200-Q1202 HydrophobicContact CE2-CG 4.26Å; Y1200-N1208 WeakPolarHBondContact CD2-ND2 3.41Å; Y1200-N1208 WeakPolarHBondContact CD2-OD1 3.12Å; Y1200-N1208 WeakPolarHBondContact CE2-OD1 3.32Å; Y1200-L1258 WeakPolarHBondContact CB-O 3.37Å
1201	C	85.2	Confident	77.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.4	173.9	-178.4	0	0	0	0	109.9	N1208 W1209 L1211 C1214	C1201-N1208 VanDerWaalsContact O-CA 3.29Å; C1201-N1208 WeakPolarHBondContact O-CA 3.33Å; C1201-W1209 PolarHBondContact O-N 2.95Å; C1201-L1211 HydrophobicContact CB-CD2 4.14Å; C1201-C1214 WeakPolarHBondContact CA-SG 3.49Å; C1201-C1214 HydrophobicContact CB-CB 3.72Å; C1201-C1214 WeakPolarHBondContact CB-SG 3.34Å; C1201-C1214 WeakPolarHBondContact SG-CB 3.45Å; C1201-C1214 PolarHBondContact SG-N 2.79Å; C1201-C1214 CovalentContact SG-SG 2.03Å; C1201-C1214 PolarHBondContact SG-SG 3.17Å
1202	Q	83.5	Confident	77.9	Confident	38 Å²	38	42 Å²	42	18%	0.178	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	144	-175.1	-170.2	176.1	56.3	0	0	112.2	V1176 Y1177 I1179 Y1200 G1206 Q1207 N1208	V1176-Q1202 CarbonylContact C-O 3.49Å; V1176-Q1202 WeakPolarHBondContact CA-O 3.18Å; Y1177-Q1202 PolarHBondContact N-O 2.93Å; Y1177-Q1202 PolarHBondContact O-N 2.94Å; I1179-Q1202 HydrophobicContact CB-CB 4.48Å; I1179-Q1202 HydrophobicContact CG1-CB 3.69Å; Y1200-Q1202 HydrophobicContact CD2-CB 4.07Å; Y1200-Q1202 HydrophobicContact CE2-CB 3.94Å; Y1200-Q1202 HydrophobicContact CE2-CG 4.26Å; Q1202-G1206 VanDerWaalsContact CG-C 3.48Å; Q1202-G1206 PolarHBondContact NE2-O 3.31Å; Q1202-Q1207 CarbonylContact C-O 3.41Å; Q1202-Q1207 WeakPolarHBondContact CA-O 3.17Å; Q1202-N1208 PolarHBondContact NE2-OD1 3.44Å
1203	D	78.6	Confident	78.3	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	172.4	175.5	75.6	16.6	0	0	0	115.2	S1172 H1174 P1175 V1176 I1205 G1206 Q1207 W1209	S1172-D1203 PolarHBondContact OG-OD2 2.85Å; H1174-D1203 HydrophobicContact CB-CB 3.87Å; P1175-D1203 CarbonylContact O-C 3.46Å; P1175-D1203 WeakPolarHBondContact O-CA 3.23Å; P1175-D1203 WeakPolarHBondContact O-CB 3.49Å; V1176-D1203 HydrophobicContact CG1-CB 4.03Å; D1203-I1205 PolarHBondContact O-N 3.13Å; D1203-I1205 WeakPolarHBondContact OD1-CA 3.11Å; D1203-I1205 WeakPolarHBondContact OD1-CB 3.31Å; D1203-I1205 PolarHBondContact OD1-N 2.94Å; D1203-G1206 PolarHBondContact O-N 3.21Å; D1203-G1206 PolarHBondContact OD1-N 3.22Å; D1203-G1206 VanDerWaalsContact OD1-N 3.14Å; D1203-Q1207 PolarHBondContact N-O 3.47Å; D1203-Q1207 PolarHBondContact OD1-N 2.85Å; D1203-W1209 PolarHBondContact OD2-NE1 3.19Å; D1203-W1209 VanDerWaalsContact OD2-NE1 3.15Å
1204	E	68.6	Low	78.5	Confident	111 Å²	111	41.5 Å²	41.5	52%	0.519	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-19.5	178.4	-70.3	-169.2	156.1	0	0	115	H1174 P1175 Y1177	H1174-E1204 HydrophobicContact CB-CB 4.37Å; P1175-E1204 HydrophobicContact CB-CG 4.18Å; P1175-E1204 HydrophobicContact CG-CG 4.22Å; P1175-E1204 PolarHBondContact O-N 3.14Å; Y1177-E1204 HydrophobicContact CE2-CG 3.62Å; Y1177-E1204 PolarHBondContact OH-OE1 3.16Å
1205	I	69.4	Low	78.7	Confident	108 Å²	108	39.3 Å²	39.3	55%	0.554	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-14.5	177.2	-23.6	174.8	0	0	0	112.1	H1174 D1203	H1174-I1205 HydrophobicContact CB-CG1 4.13Å; H1174-I1205 VanDerWaalsContact CD2-CG1 3.41Å; H1174-I1205 WeakPolarHBondContact CD2-CG1 3.49Å; D1203-I1205 PolarHBondContact O-N 3.13Å; D1203-I1205 WeakPolarHBondContact OD1-CA 3.11Å; D1203-I1205 WeakPolarHBondContact OD1-CB 3.31Å; D1203-I1205 PolarHBondContact OD1-N 2.94Å
1206	G	70.1	Confident	78.4	Confident	36 Å²	36	38.5 Å²	38.5	37%	0.371	20%	0.197	S	C	.	.	S	Bend	trans	98.4	9.7	-174.4	0	0	0	0	0	114.7	Q1202 D1203	Q1202-G1206 VanDerWaalsContact CG-C 3.48Å; Q1202-G1206 PolarHBondContact NE2-O 3.31Å; D1203-G1206 PolarHBondContact O-N 3.21Å; D1203-G1206 PolarHBondContact OD1-N 3.22Å; D1203-G1206 VanDerWaalsContact OD1-N 3.14Å
1207	Q	69.8	Low	77.9	Confident	50 Å²	50	40 Å²	40	23%	0.234	20%	0.201	C	C	.	.			trans	-79.7	131.5	176.7	-175.2	171.1	-4.7	0	0	110.6	Q1202 D1203 W1209	Q1202-Q1207 CarbonylContact C-O 3.41Å; Q1202-Q1207 WeakPolarHBondContact CA-O 3.17Å; D1203-Q1207 PolarHBondContact N-O 3.47Å; D1203-Q1207 PolarHBondContact OD1-N 2.85Å; Q1207-W1209 HydrophobicContact CB-CZ2 4.48Å; Q1207-W1209 HydrophobicContact CG-CH2 4.43Å; Q1207-W1209 HydrophobicContact CG-CZ2 3.73Å; Q1207-W1209 VanDerWaalsContact O-CD1 3.28Å; Q1207-W1209 PolarHBondContact O-NE1 2.99Å
1208	N	74.8	Confident	76.6	Confident	55 Å²	55	38.2 Å²	38.2	29%	0.294	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	144.5	-179.2	-70.3	7.1	0	0	0	111.5	Y1200 C1201 Q1202	Y1200-N1208 WeakPolarHBondContact CD2-ND2 3.41Å; Y1200-N1208 WeakPolarHBondContact CD2-OD1 3.12Å; Y1200-N1208 WeakPolarHBondContact CE2-OD1 3.32Å; C1201-N1208 VanDerWaalsContact O-CA 3.29Å; C1201-N1208 WeakPolarHBondContact O-CA 3.33Å; Q1202-N1208 PolarHBondContact NE2-OD1 3.44Å
1209	W	75.6	Confident	74.8	Confident	7 Å²	7	43 Å²	43	3%	0.027	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	159.3	-176	-67.8	109.6	0	0	0	111.3	C1110 A1112 R1113 C1201 D1203 Q1207 E1213	C1110-W1209 WeakPolarHBondContact O-CZ3 3.27Å; A1112-W1209 WeakPolarHBondContact O-CH2 3.3Å; R1113-W1209 HydrophobicContact CB-CD2 3.91Å; R1113-W1209 HydrophobicContact CB-CE3 3.78Å; R1113-W1209 HydrophobicContact CB-CH2 3.88Å; R1113-W1209 HydrophobicContact CB-CZ2 3.94Å; R1113-W1209 HydrophobicContact CB-CZ3 3.77Å; R1113-W1209 HydrophobicContact CG-CD2 3.86Å; R1113-W1209 HydrophobicContact CG-CE3 4.25Å; R1113-W1209 HydrophobicContact CG-CG 4.44Å; R1113-W1209 HydrophobicContact CG-CH2 4.16Å; R1113-W1209 HydrophobicContact CG-CZ2 3.68Å; R1113-W1209 HydrophobicContact CG-CZ3 4.4Å; C1201-W1209 PolarHBondContact O-N 2.95Å; D1203-W1209 PolarHBondContact OD2-NE1 3.19Å; D1203-W1209 VanDerWaalsContact OD2-NE1 3.15Å; Q1207-W1209 HydrophobicContact CB-CZ2 4.48Å; Q1207-W1209 HydrophobicContact CG-CH2 4.43Å; Q1207-W1209 HydrophobicContact CG-CZ2 3.73Å; Q1207-W1209 VanDerWaalsContact O-CD1 3.28Å; Q1207-W1209 PolarHBondContact O-NE1 2.99Å; W1209-E1213 HydrophobicContact CB-CB 4.03Å; W1209-E1213 HydrophobicContact CB-CG 4.16Å
1210	P	76.6	Confident	72.6	Confident	32 Å²	32	48 Å²	48	21%	0.208	26%	0.257	C	S	.	.			trans	-58.1	148.4	172.7	-20.6	32.3	0	0	0	110.5	N1212 E1213 L1258	P1210-N1212 PolarHBondContact O-N 3.19Å; P1210-E1213 WeakPolarHBondContact O-CB 3.07Å; P1210-E1213 PolarHBondContact O-N 3.19Å; P1210-L1258 HydrophobicContact CG-CD2 4.38Å
1211	L	80.4	Confident	70.3	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-22.5	-173.4	-64.2	176.4	0	0	0	112.9	W1178 C1201 E1213 C1214 M1215 F1254 N1257 I1260	W1178-L1211 HydrophobicContact CH2-CB 4.31Å; W1178-L1211 HydrophobicContact CH2-CD2 4.3Å; W1178-L1211 HydrophobicContact CZ3-CD2 3.79Å; C1201-L1211 HydrophobicContact CB-CD2 4.14Å; L1211-E1213 VanDerWaalsContact C-N 3.3Å; L1211-E1213 PolarHBondContact O-N 3.22Å; L1211-C1214 PolarHBondContact O-N 2.95Å; L1211-M1215 WeakPolarHBondContact O-CG 3.3Å; L1211-M1215 PolarHBondContact O-N 3.45Å; L1211-M1215 VanDerWaalsContact O-N 3.13Å; L1211-F1254 HydrophobicContact CB-CD1 3.93Å; L1211-F1254 PolarHBondContact N-O 2.91Å; L1211-N1257 HydrophobicContact CD1-CB 4.06Å; L1211-N1257 WeakPolarHBondContact CG-O 3.35Å; L1211-N1257 PolarHBondContact N-O 3.46Å; L1211-I1260 HydrophobicContact CD1-CD1 4.05Å; L1211-I1260 HydrophobicContact CD1-CG1 3.76Å
1212	N	78.6	Confident	68.1	Low	43 Å²	43	59.1 Å²	59.1	23%	0.23	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-29.4	173.2	73.9	-8.6	0	0	0	113.8	P1210 C1214 M1215 N1216 F1254	P1210-N1212 PolarHBondContact O-N 3.19Å; N1212-C1214 VanDerWaalsContact C-N 3.32Å; N1212-C1214 PolarHBondContact O-N 2.87Å; N1212-M1215 CarbonylContact O-C 3.53Å; N1212-M1215 PolarHBondContact O-N 2.96Å; N1212-M1215 VanDerWaalsContact O-N 3.15Å; N1212-N1216 VanDerWaalsContact O-CB 3.25Å; N1212-N1216 WeakPolarHBondContact O-CB 3.41Å; N1212-N1216 PolarHBondContact O-N 2.9Å; N1212-N1216 PolarHBondContact O-ND2 2.83Å; N1212-F1254 HydrophobicContact CB-CB 4.07Å; N1212-F1254 PolarHBondContact N-O 3.05Å
1213	E	80.2	Confident	66	Low	46 Å²	46	65.2 Å²	65.2	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-64.3	-38.2	177.4	-73.7	-82.7	-164	0	0	111.1	R1113 W1209 P1210 L1211 Y1217	R1113-E1213 WeakPolarHBondContact CB-OE1 3.37Å; R1113-E1213 IonicContact CZ-OE2 2.81Å; R1113-E1213 IonicContact NE-OE1 2.67Å; R1113-E1213 IonicContact NE-OE2 2.74Å; R1113-E1213 PolarHBondContact NE-OE2 3.47Å; R1113-E1213 IonicContact NH2-OE2 3.76Å; R1113-E1213 PolarHBondContact NH2-OE2 2.75Å; W1209-E1213 HydrophobicContact CB-CB 4.03Å; W1209-E1213 HydrophobicContact CB-CG 4.16Å; P1210-E1213 WeakPolarHBondContact O-CB 3.07Å; P1210-E1213 PolarHBondContact O-N 3.19Å; L1211-E1213 VanDerWaalsContact C-N 3.3Å; L1211-E1213 PolarHBondContact O-N 3.22Å; E1213-Y1217 WeakPolarHBondContact O-CB 3.45Å; E1213-Y1217 PolarHBondContact O-N 3.46Å
1214	C	82.6	Confident	64.3	Low	5 Å²	5	71.5 Å²	71.5	3%	0.034	37%	0.372	C	S	.	.	H	α-helix	trans	-82.8	-14.7	174	-72.4	0	0	0	0	114.2	Y1177 W1178 C1201 L1211 N1212	Y1177-C1214 VanDerWaalsContact C-SG 3.57Å; Y1177-C1214 PolarHBondContact O-SG 2.86Å; Y1177-C1214 VanDerWaalsContact O-SG 3.38Å; W1178-C1214 HydrophobicContact CD2-CB 3.95Å; W1178-C1214 VanDerWaalsContact CE2-CB 3.47Å; W1178-C1214 HydrophobicContact CG-CB 4.31Å; W1178-C1214 HydrophobicContact CH2-CB 4.42Å; W1178-C1214 HydrophobicContact CZ2-CB 3.72Å; W1178-C1214 PolarHBondContact NE1-O 3.29Å; C1201-C1214 WeakPolarHBondContact CA-SG 3.49Å; C1201-C1214 HydrophobicContact CB-CB 3.72Å; C1201-C1214 WeakPolarHBondContact CB-SG 3.34Å; C1201-C1214 WeakPolarHBondContact SG-CB 3.45Å; C1201-C1214 PolarHBondContact SG-N 2.79Å; C1201-C1214 CovalentContact SG-SG 2.03Å; C1201-C1214 PolarHBondContact SG-SG 3.17Å; L1211-C1214 PolarHBondContact O-N 2.95Å; N1212-C1214 VanDerWaalsContact C-N 3.32Å; N1212-C1214 PolarHBondContact O-N 2.87Å
1215	M	79.6	Confident	63.2	Low	12 Å²	12	72.1 Å²	72.1	6%	0.059	39%	0.388	C	S	.	.	H	α-helix	trans	-85.3	-23.2	169.7	-68.6	-71	-80.4	0	0	113	N97 W1178 L1211 N1212 F1254	N97-M1215 PolarHBondContact N-O 2.99Å; N97-M1215 PolarHBondContact OD1-O 3.39Å; W1178-M1215 HydrophobicContact CH2-CG 4.04Å; W1178-M1215 HydrophobicContact CH2-SD 4.03Å; W1178-M1215 HydrophobicContact CZ2-CG 3.71Å; W1178-M1215 HydrophobicContact CZ2-SD 3.58Å; W1178-M1215 VanDerWaalsContact CZ2-SD 3.58Å; L1211-M1215 WeakPolarHBondContact O-CG 3.3Å; L1211-M1215 PolarHBondContact O-N 3.45Å; L1211-M1215 VanDerWaalsContact O-N 3.13Å; N1212-M1215 CarbonylContact O-C 3.53Å; N1212-M1215 PolarHBondContact O-N 2.96Å; N1212-M1215 VanDerWaalsContact O-N 3.15Å; M1215-F1254 HydrophobicContact CE-CE1 3.93Å; M1215-F1254 HydrophobicContact CE-CE2 4.46Å; M1215-F1254 HydrophobicContact CE-CZ 3.88Å; M1215-F1254 HydrophobicContact CG-CD1 3.77Å; M1215-F1254 HydrophobicContact CG-CE1 3.88Å; M1215-F1254 HydrophobicContact CG-CG 4.49Å; M1215-F1254 HydrophobicContact SD-CE1 4.01Å
1216	N	73.5	Confident	62.5	Low	63 Å²	63	75.6 Å²	75.6	34%	0.337	40%	0.399	S	S	.	.	H	α-helix	trans	-94.9	-13.1	-179.5	-69.9	-20	0	0	0	113.2	N97 F98 N1212 G1218	N97-N1216 WeakPolarHBondContact OD1-CA 3.32Å; N97-N1216 PolarHBondContact OD1-O 3.15Å; F98-N1216 PolarHBondContact N-OD1 2.83Å; N1212-N1216 VanDerWaalsContact O-CB 3.25Å; N1212-N1216 WeakPolarHBondContact O-CB 3.41Å; N1212-N1216 PolarHBondContact O-N 2.9Å; N1212-N1216 PolarHBondContact O-ND2 2.83Å; N1216-G1218 PolarHBondContact O-N 3.08Å
1217	Y	68.6	Low	62.1	Low	97 Å²	97	76.5 Å²	76.5	38%	0.38	40%	0.404	S	S	.	.	S	Bend	trans	-83.3	57.4	178.1	-151	-103.2	0	0	0	111.5	P1175 V1176 E1213 E1219	P1175-Y1217 HydrophobicContact CB-CE1 4.45Å; V1176-Y1217 HydrophobicContact CG2-CD1 4.39Å; V1176-Y1217 HydrophobicContact CG2-CD2 4.23Å; V1176-Y1217 HydrophobicContact CG2-CG 3.91Å; E1213-Y1217 WeakPolarHBondContact O-CB 3.45Å; E1213-Y1217 PolarHBondContact O-N 3.46Å; Y1217-E1219 PolarHBondContact O-N 3.32Å
1218	G	54.1	Low	61.9	Low	19 Å²	19	76.3 Å²	76.3	20%	0.196	41%	0.407	C	S	.	.			trans	-66.9	122.5	-166.9	0	0	0	0	0	115.9	N1216 S1220	N1216-G1218 PolarHBondContact O-N 3.08Å; G1218-S1220 WeakPolarHBondContact O-CB 3.46Å; G1218-S1220 PolarHBondContact O-N 3.46Å; G1218-S1220 PolarHBondContact O-OG 3.27Å
1219	E	47.3	Very low	61.4	Low	146 Å²	146	84.5 Å²	84.5	68%	0.682	44%	0.44	S	S	*	.	S	Bend	trans	48.6	-8.1	154.2	-57	-166.9	148.4	0	0	121.1	Y1217 M1221	Y1217-E1219 PolarHBondContact O-N 3.32Å; E1219-M1221 PolarHBondContact O-N 2.97Å
1220	S	40.7	Very low	61.3	Low	106 Å²	106	87.7 Å²	87.7	74%	0.741	46%	0.455	S	S	*	.			trans	-92	16.7	-157.1	46.9	0	0	0	0	116.5	G1218	G1218-S1220 WeakPolarHBondContact O-CB 3.46Å; G1218-S1220 PolarHBondContact O-N 3.46Å; G1218-S1220 PolarHBondContact O-OG 3.27Å
1221	M	37.8	Very low	61.4	Low	116 Å²	116	88 Å²	88	57%	0.571	46%	0.458	S	S	*	.			trans	-143.7	54.4	-179.1	-92.7	-178.9	-162.9	0	0	115.5	E1219 H1223 H1224	E1219-M1221 PolarHBondContact O-N 2.97Å; M1221-H1223 PolarHBondContact O-N 3.01Å; M1221-H1224 VanDerWaalsContact SD-CD2 3.59Å
1222	I	39.4	Very low	61.3	Low	149 Å²	149	90 Å²	90	76%	0.764	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	8.5	178.4	-64.7	170	0	0	0	114.3
1223	H	40.7	Very low	61.4	Low	165 Å²	165	92.1 Å²	92.1	76%	0.764	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.5	12.9	-170.5	-74.9	-39.3	0	0	0	117.3	M1221	M1221-H1223 PolarHBondContact O-N 3.01Å
1224	H	43	Very low	61.3	Low	135 Å²	135	92 Å²	92	63%	0.625	48%	0.483	S	S	*	.			trans	-100	108	173.4	-72.6	-60.7	0	0	0	113.2	M1221 K1226	M1221-H1224 VanDerWaalsContact SD-CD2 3.59Å; H1224-K1226 PolarHBondContact O-N 2.84Å
1225	S	43.8	Very low	61.1	Low	124 Å²	124	97.3 Å²	97.3	87%	0.867	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	34.2	-172.2	57.3	0	0	0	0	115.7
1226	K	55.2	Low	61.1	Low	181 Å²	181	98.6 Å²	98.6	79%	0.787	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.7	24.5	-171.6	-79	-166.1	173.6	-175.4	0	115.9	H1224	H1224-K1226 PolarHBondContact O-N 2.84Å
1227	A	61.8	Low	61.5	Low	56 Å²	56	95.6 Å²	95.6	46%	0.463	50%	0.501	S	S	.	.			trans	-59.1	143.3	173.5	0	0	0	0	0	112.1	Y1177 S1231	Y1177-A1227 HydrophobicContact CD1-CB 4.17Å; Y1177-A1227 HydrophobicContact CE1-CB 3.93Å; A1227-S1231 WeakPolarHBondContact CB-OG 3.09Å
1228	P	65.7	Low	62.2	Low	46 Å²	46	92.1 Å²	92.1	30%	0.299	49%	0.489	S	S	.	.			trans	-58.8	150.5	-179.6	-27.2	35.5	0	0	0	114.3	Y1177 I1179 Q1230 S1231	Y1177-P1228 HydrophobicContact CD2-CG 4.26Å; Y1177-P1228 HydrophobicContact CG-CG 4.28Å; I1179-P1228 HydrophobicContact CD1-CB 4.02Å; I1179-P1228 HydrophobicContact CD1-CG 4.15Å; P1228-Q1230 PolarHBondContact O-N 2.94Å; P1228-S1231 VanDerWaalsContact O-CB 3.31Å; P1228-S1231 WeakPolarHBondContact O-CB 3.2Å; P1228-S1231 PolarHBondContact O-N 3.14Å; P1228-S1231 PolarHBondContact O-OG 2.58Å
1229	K	64.9	Low	63.5	Low	227 Å²	227	95.2 Å²	95.2	99%	0.987	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.8	-178.9	-77.4	-165.9	175.7	-172.1	0	115.8
1230	Q	73.3	Confident	65	Low	74 Å²	74	89.1 Å²	89.1	35%	0.346	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	6.1	176.9	-78.1	172.5	-26.2	0	0	112.7	I1179 L1180 N1182 P1228	I1179-Q1230 HydrophobicContact CG2-CB 3.79Å; L1180-Q1230 PolarHBondContact N-O 3.33Å; L1180-Q1230 VanDerWaalsContact N-O 3.08Å; L1180-Q1230 WeakPolarHBondContact O-CB 3.2Å; L1180-Q1230 WeakPolarHBondContact O-CG 3.19Å; N1182-Q1230 PolarHBondContact OD1-NE2 3.07Å; P1228-Q1230 PolarHBondContact O-N 2.94Å
1231	S	77.8	Confident	66.8	Low	38 Å²	38	84.2 Å²	84.2	27%	0.266	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	139.9	178.4	72.1	0	0	0	0	112	W1178 A1227 P1228	W1178-S1231 CarbonylContact O-C 3.58Å; W1178-S1231 WeakPolarHBondContact O-CA 3.11Å; A1227-S1231 WeakPolarHBondContact CB-OG 3.09Å; P1228-S1231 VanDerWaalsContact O-CB 3.31Å; P1228-S1231 WeakPolarHBondContact O-CB 3.2Å; P1228-S1231 PolarHBondContact O-N 3.14Å; P1228-S1231 PolarHBondContact O-OG 2.58Å
1232	I	79.8	Confident	68.8	Low	43 Å²	43	80.8 Å²	80.8	22%	0.221	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	164.4	172.6	62.2	176.8	0	0	0	111.6	W1178 L1180 L1199 A1237 I1240	W1178-I1232 HydrophobicContact CB-CG1 3.75Å; W1178-I1232 PolarHBondContact O-N 3.37Å; L1180-I1232 HydrophobicContact CD1-CD1 4.1Å; L1180-I1232 HydrophobicContact CD1-CG2 3.86Å; L1180-I1232 HydrophobicContact CG-CD1 4.28Å; L1199-I1232 HydrophobicContact CD1-CD1 3.63Å; L1199-I1232 HydrophobicContact CD1-CG1 4.41Å; I1232-A1237 HydrophobicContact CD1-CB 4.01Å; I1232-A1237 HydrophobicContact CG1-CB 4.36Å; I1232-I1240 HydrophobicContact CD1-CD1 4Å
1233	T	79	Confident	70.6	Confident	86 Å²	86	77.1 Å²	77.1	53%	0.528	40%	0.4	S	S	.	.			trans	-68.5	157.1	171.9	64.7	0	0	0	0	110.5	H1235 S1236 A1237	T1233-H1235 PolarHBondContact O-N 2.96Å; T1233-S1236 PolarHBondContact O-N 3Å; T1233-S1236 VanDerWaalsContact O-N 3.12Å; T1233-S1236 PolarHBondContact OG1-N 3.08Å; T1233-S1236 VanDerWaalsContact OG1-N 3.12Å; T1233-S1236 PolarHBondContact OG1-OG 2.97Å; T1233-A1237 PolarHBondContact O-N 2.82Å
1234	I	78.7	Confident	72	Confident	43 Å²	43	72.8 Å²	72.8	22%	0.221	38%	0.378	C	S	.	.	H	α-helix	trans	-59.6	-33.5	174.8	-160.9	161.2	0	0	0	111.8	N96 A1237 Q1238	N96-I1234 WeakPolarHBondContact OD1-CD1 3.31Å; I1234-A1237 WeakPolarHBondContact O-CB 3.49Å; I1234-A1237 PolarHBondContact O-N 3.48Å; I1234-Q1238 WeakPolarHBondContact O-CB 3.39Å; I1234-Q1238 WeakPolarHBondContact O-CG 3.38Å; I1234-Q1238 PolarHBondContact O-N 3.36Å
1235	H	78.5	Confident	73.3	Confident	117 Å²	117	68.9 Å²	68.9	54%	0.542	36%	0.36	S	S	.	.	H	α-helix	trans	-62.7	-45.1	172.7	-168.5	-62.5	0	0	0	112.7	T1233 A1237 Q1238 E1239	T1233-H1235 PolarHBondContact O-N 2.96Å; H1235-A1237 VanDerWaalsContact C-N 3.32Å; H1235-Q1238 WeakPolarHBondContact O-CB 3.28Å; H1235-Q1238 PolarHBondContact O-N 3.03Å; H1235-E1239 IonicContact CE1-OE1 3.18Å; H1235-E1239 PolarHBondContact CE1-OE1 3.31Å; H1235-E1239 IonicContact ND1-OE1 2.77Å; H1235-E1239 PolarHBondContact ND1-OE1 2.61Å; H1235-E1239 VanDerWaalsContact ND1-OE1 3.11Å; H1235-E1239 WeakPolarHBondContact O-CG 3.44Å; H1235-E1239 PolarHBondContact O-N 2.84Å
1236	S	79.4	Confident	74.5	Confident	40 Å²	40	68 Å²	68	28%	0.28	34%	0.342	S	S	.	.	H	α-helix	trans	-71.8	-26.5	176.3	-65.4	0	0	0	0	112.9	T1233 I1240	T1233-S1236 PolarHBondContact O-N 3Å; T1233-S1236 VanDerWaalsContact O-N 3.12Å; T1233-S1236 PolarHBondContact OG1-N 3.08Å; T1233-S1236 VanDerWaalsContact OG1-N 3.12Å; T1233-S1236 PolarHBondContact OG1-OG 2.97Å; S1236-I1240 WeakPolarHBondContact O-CD1 3.29Å; S1236-I1240 WeakPolarHBondContact O-CG1 3.32Å; S1236-I1240 PolarHBondContact O-N 2.92Å
1237	A	82.6	Confident	74.9	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-67.9	-45.4	169	0	0	0	0	0	111	W1178 L1199 I1232 T1233 I1234 H1235 E1239 I1240 I1241	W1178-A1237 HydrophobicContact CB-CB 4.1Å; W1178-A1237 HydrophobicContact CD2-CB 3.36Å; W1178-A1237 HydrophobicContact CE3-CB 3.51Å; W1178-A1237 HydrophobicContact CG-CB 3.63Å; W1178-A1237 HydrophobicContact CH2-CB 4.49Å; W1178-A1237 HydrophobicContact CZ2-CB 4.4Å; W1178-A1237 HydrophobicContact CZ3-CB 4.06Å; L1199-A1237 HydrophobicContact CD2-CB 4.39Å; I1232-A1237 HydrophobicContact CD1-CB 4.01Å; I1232-A1237 HydrophobicContact CG1-CB 4.36Å; T1233-A1237 PolarHBondContact O-N 2.82Å; I1234-A1237 WeakPolarHBondContact O-CB 3.49Å; I1234-A1237 PolarHBondContact O-N 3.48Å; H1235-A1237 VanDerWaalsContact C-N 3.32Å; A1237-E1239 PolarHBondContact O-N 3.42Å; A1237-I1240 PolarHBondContact O-N 3.01Å; A1237-I1240 VanDerWaalsContact O-N 3.08Å; A1237-I1241 WeakPolarHBondContact O-CD1 3.38Å; A1237-I1241 VanDerWaalsContact O-CG1 3.31Å; A1237-I1241 WeakPolarHBondContact O-CG1 3.34Å; A1237-I1241 PolarHBondContact O-N 3.49Å
1238	Q	82.5	Confident	74.7	Confident	24 Å²	24	66.2 Å²	66.2	11%	0.112	33%	0.333	C	S	.	.	H	α-helix	trans	-58	-45.1	175.1	-73	161.4	-0.6	0	0	111.4	C95 N96 I1234 H1235 I1240 I1241 L1242	C95-Q1238 PolarHBondContact SG-NE2 2.99Å; N96-Q1238 PolarHBondContact OD1-NE2 3.39Å; I1234-Q1238 WeakPolarHBondContact O-CB 3.39Å; I1234-Q1238 WeakPolarHBondContact O-CG 3.38Å; I1234-Q1238 PolarHBondContact O-N 3.36Å; H1235-Q1238 WeakPolarHBondContact O-CB 3.28Å; H1235-Q1238 PolarHBondContact O-N 3.03Å; Q1238-I1240 PolarHBondContact O-N 3.45Å; Q1238-I1241 PolarHBondContact O-N 2.68Å; Q1238-L1242 VanDerWaalsContact O-CB 3.24Å; Q1238-L1242 WeakPolarHBondContact O-CB 3.46Å; Q1238-L1242 PolarHBondContact O-N 3.16Å
1239	E	81.8	Confident	73.9	Confident	83 Å²	83	71.7 Å²	71.7	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-56.1	-34.3	173.6	-75.4	169.4	176.8	0	0	114	Y93 H1235 A1237 L1243	Y93-E1239 HydrophobicContact CE2-CB 4.39Å; Y93-E1239 HydrophobicContact CE2-CG 4.48Å; H1235-E1239 IonicContact CE1-OE1 3.18Å; H1235-E1239 PolarHBondContact CE1-OE1 3.31Å; H1235-E1239 IonicContact ND1-OE1 2.77Å; H1235-E1239 PolarHBondContact ND1-OE1 2.61Å; H1235-E1239 VanDerWaalsContact ND1-OE1 3.11Å; H1235-E1239 WeakPolarHBondContact O-CG 3.44Å; H1235-E1239 PolarHBondContact O-N 2.84Å; A1237-E1239 PolarHBondContact O-N 3.42Å; E1239-L1243 WeakPolarHBondContact O-CB 3.44Å; E1239-L1243 VanDerWaalsContact O-CG 3.29Å; E1239-L1243 WeakPolarHBondContact O-CG 3.49Å; E1239-L1243 PolarHBondContact O-N 3.35Å; E1239-L1243 VanDerWaalsContact O-N 3.07Å
1240	I	79.2	Confident	73.4	Confident	18 Å²	18	68.5 Å²	68.5	9%	0.092	35%	0.346	C	S	.	.	H	α-helix	trans	-81.6	-35.2	179.1	-65.9	167.1	0	0	0	111.2	L1180 L1199 I1232 S1236 A1237 Q1238 L1243 Y1244	L1180-I1240 HydrophobicContact CD1-CD1 3.86Å; L1180-I1240 HydrophobicContact CD2-CD1 4.2Å; L1180-I1240 HydrophobicContact CG-CD1 4.33Å; L1199-I1240 HydrophobicContact CB-CG2 4.23Å; L1199-I1240 HydrophobicContact CD2-CB 3.97Å; L1199-I1240 HydrophobicContact CD2-CG2 3.76Å; I1232-I1240 HydrophobicContact CD1-CD1 4Å; S1236-I1240 WeakPolarHBondContact O-CD1 3.29Å; S1236-I1240 WeakPolarHBondContact O-CG1 3.32Å; S1236-I1240 PolarHBondContact O-N 2.92Å; A1237-I1240 PolarHBondContact O-N 3.01Å; A1237-I1240 VanDerWaalsContact O-N 3.08Å; Q1238-I1240 PolarHBondContact O-N 3.45Å; I1240-L1243 PolarHBondContact O-N 2.81Å; I1240-Y1244 WeakPolarHBondContact O-CB 3.28Å; I1240-Y1244 PolarHBondContact O-N 3.06Å
1241	I	78.9	Confident	72.7	Confident	3 Å²	3	74.2 Å²	74.2	2%	0.015	37%	0.373	C	S	.	.	H	α-helix	trans	-61.2	-46.5	170.1	-65	155	0	0	0	110.3	W1178 L1199 A1237 Q1238 Y1244 Q1245 F1254 I1260	W1178-I1241 HydrophobicContact CH2-CD1 3.92Å; W1178-I1241 HydrophobicContact CZ3-CD1 4.21Å; L1199-I1241 HydrophobicContact CD2-CG1 4.36Å; A1237-I1241 WeakPolarHBondContact O-CD1 3.38Å; A1237-I1241 VanDerWaalsContact O-CG1 3.31Å; A1237-I1241 WeakPolarHBondContact O-CG1 3.34Å; A1237-I1241 PolarHBondContact O-N 3.49Å; Q1238-I1241 PolarHBondContact O-N 2.68Å; I1241-Y1244 PolarHBondContact O-N 2.95Å; I1241-Q1245 HydrophobicContact CG2-CG 4.46Å; I1241-Q1245 WeakPolarHBondContact O-CG 3.43Å; I1241-Q1245 PolarHBondContact O-N 3.3Å; I1241-F1254 HydrophobicContact CD1-CE1 3.89Å; I1241-F1254 HydrophobicContact CD1-CZ 4.34Å; I1241-F1254 HydrophobicContact CG2-CE1 4.47Å; I1241-F1254 HydrophobicContact CG2-CZ 4.05Å; I1241-I1260 HydrophobicContact CB-CD1 4.24Å; I1241-I1260 HydrophobicContact CG1-CD1 3.54Å; I1241-I1260 HydrophobicContact CG2-CD1 4.48Å
1242	L	79.5	Confident	71.7	Confident	45 Å²	45	73.2 Å²	73.2	24%	0.236	37%	0.365	C	S	.	.	H	α-helix	trans	-55.2	-52.8	175.7	-170.7	169.8	0	0	0	109	N92 Y93 Q1238 Y1244 Q1245 Q1246	N92-L1242 HydrophobicContact CB-CD1 3.91Å; N92-L1242 HydrophobicContact CB-CD2 3.97Å; N92-L1242 HydrophobicContact CB-CG 3.95Å; Y93-L1242 HydrophobicContact CD1-CB 2.3Å; Y93-L1242 HydrophobicContact CD1-CD1 3.68Å; Y93-L1242 HydrophobicContact CD1-CD2 3.54Å; Y93-L1242 HydrophobicContact CD1-CG 2.33Å; Y93-L1242 HydrophobicContact CD2-CB 2.3Å; Y93-L1242 HydrophobicContact CD2-CD1 2.59Å; Y93-L1242 HydrophobicContact CD2-CD2 3.74Å; Y93-L1242 HydrophobicContact CD2-CG 2.32Å; Y93-L1242 HydrophobicContact CE1-CB 2.31Å; Y93-L1242 HydrophobicContact CE1-CD1 3.92Å; Y93-L1242 HydrophobicContact CE1-CD2 2.85Å; Y93-L1242 HydrophobicContact CE1-CG 2.3Å; Y93-L1242 WeakPolarHBondContact CE1-O 3.48Å; Y93-L1242 HydrophobicContact CE2-CB 2.32Å; Y93-L1242 HydrophobicContact CE2-CD1 2.92Å; Y93-L1242 HydrophobicContact CE2-CD2 3.09Å; Y93-L1242 HydrophobicContact CE2-CG 2.3Å; Y93-L1242 HydrophobicContact CG-CB 2.32Å; Y93-L1242 HydrophobicContact CG-CD1 2.99Å; Y93-L1242 HydrophobicContact CG-CD2 3.9Å; Y93-L1242 HydrophobicContact CG-CG 2.31Å; Y93-L1242 WeakPolarHBondContact OH-CB 3.34Å; Y93-L1242 WeakPolarHBondContact OH-CD2 3.48Å; Y93-L1242 WeakPolarHBondContact OH-CG 3.37Å; Q1238-L1242 VanDerWaalsContact O-CB 3.24Å; Q1238-L1242 WeakPolarHBondContact O-CB 3.46Å; Q1238-L1242 PolarHBondContact O-N 3.16Å; L1242-Y1244 VanDerWaalsContact C-N 3.3Å; L1242-Y1244 PolarHBondContact O-N 2.85Å; L1242-Q1245 PolarHBondContact O-N 2.61Å; L1242-Q1246 PolarHBondContact O-N 2.69Å
1243	L	76.1	Confident	70.7	Confident	71 Å²	71	74.1 Å²	74.1	37%	0.372	38%	0.376	S	S	.	.	H	α-helix	trans	-64.6	-32.4	179.3	-75	169.5	0	0	0	112.6	Y93 E1239 I1240 N1247	Y93-L1243 VanDerWaalsContact CZ-N 3.33Å; Y93-L1243 WeakPolarHBondContact OH-CD2 3.36Å; Y93-L1243 WeakPolarHBondContact OH-CG 3.37Å; Y93-L1243 PolarHBondContact OH-N 2.86Å; E1239-L1243 WeakPolarHBondContact O-CB 3.44Å; E1239-L1243 VanDerWaalsContact O-CG 3.29Å; E1239-L1243 WeakPolarHBondContact O-CG 3.49Å; E1239-L1243 PolarHBondContact O-N 3.35Å; E1239-L1243 VanDerWaalsContact O-N 3.07Å; I1240-L1243 PolarHBondContact O-N 2.81Å; L1243-N1247 WeakPolarHBondContact O-CB 3.22Å; L1243-N1247 PolarHBondContact O-N 3.22Å; L1243-N1247 PolarHBondContact O-ND2 2.87Å
1244	Y	71.5	Confident	70	Confident	75 Å²	75	72 Å²	72	29%	0.294	36%	0.359	S	S	.	.	H	α-helix	trans	-72.1	-43	174.9	-174	-91.4	0	0	0	112.2	I1240 I1241 L1242 Q1246 N1247 N1248 V1252 I1260 E1261	I1240-Y1244 WeakPolarHBondContact O-CB 3.28Å; I1240-Y1244 PolarHBondContact O-N 3.06Å; I1241-Y1244 PolarHBondContact O-N 2.95Å; L1242-Y1244 VanDerWaalsContact C-N 3.3Å; L1242-Y1244 PolarHBondContact O-N 2.85Å; Y1244-Q1246 VanDerWaalsContact C-N 3.33Å; Y1244-Q1246 PolarHBondContact O-N 3.21Å; Y1244-N1247 PolarHBondContact O-N 2.69Å; Y1244-N1248 WeakPolarHBondContact CD2-ND2 3.41Å; Y1244-N1248 HydrophobicContact CE1-CB 4.3Å; Y1244-N1248 WeakPolarHBondContact CE2-ND2 3.43Å; Y1244-N1248 WeakPolarHBondContact O-CB 3.44Å; Y1244-N1248 PolarHBondContact O-N 2.74Å; Y1244-V1252 HydrophobicContact CD1-CG2 3.8Å; Y1244-V1252 HydrophobicContact CE1-CG2 4.14Å; Y1244-I1260 HydrophobicContact CD1-CG2 4.03Å; Y1244-I1260 HydrophobicContact CD2-CG2 3.28Å; Y1244-I1260 HydrophobicContact CE2-CG2 3.86Å; Y1244-I1260 HydrophobicContact CG-CG2 3.36Å; Y1244-E1261 WeakPolarHBondContact CD2-O 3.22Å
1245	Q	69.5	Low	68.9	Low	53 Å²	53	75.5 Å²	75.5	25%	0.248	37%	0.374	C	S	.	.	H	α-helix	trans	-57.5	-45.6	174.3	-73.4	172.8	-7.7	0	0	111.1	I1241 L1242 N1249 V1252	I1241-Q1245 HydrophobicContact CG2-CG 4.46Å; I1241-Q1245 WeakPolarHBondContact O-CG 3.43Å; I1241-Q1245 PolarHBondContact O-N 3.3Å; L1242-Q1245 PolarHBondContact O-N 2.61Å; Q1245-N1249 PolarHBondContact O-N 2.71Å; Q1245-V1252 HydrophobicContact CG-CG2 4.05Å
1246	Q	69.3	Low	68	Low	106 Å²	106	76.3 Å²	76.3	50%	0.495	38%	0.378	S	S	.	.	H	α-helix	trans	-64.3	-39	178.2	-79.7	179.6	-21.4	0	0	113.9	Y93 L1242 Y1244	Y93-Q1246 HydrophobicContact CE1-CG 4.01Å; Y93-Q1246 PolarHBondContact OH-OE1 3.4Å; L1242-Q1246 PolarHBondContact O-N 2.69Å; Y1244-Q1246 VanDerWaalsContact C-N 3.33Å; Y1244-Q1246 PolarHBondContact O-N 3.21Å
1247	N	63.7	Low	67.1	Low	126 Å²	126	76.4 Å²	76.4	67%	0.674	38%	0.376	S	S	*	.	H	α-helix	trans	-85.9	-22.9	-175.9	-74.6	-64.8	0	0	0	114.1	L1243 Y1244	L1243-N1247 WeakPolarHBondContact O-CB 3.22Å; L1243-N1247 PolarHBondContact O-N 3.22Å; L1243-N1247 PolarHBondContact O-ND2 2.87Å; Y1244-N1247 PolarHBondContact O-N 2.69Å
1248	N	58.3	Low	66.2	Low	72 Å²	72	77.9 Å²	77.9	39%	0.385	38%	0.384	S	S	.	.	H	α-helix	trans	-115.7	-5	-172.7	-69.9	-58	0	0	0	115.9	Y1244 F1250	Y1244-N1248 WeakPolarHBondContact CD2-ND2 3.41Å; Y1244-N1248 HydrophobicContact CE1-CB 4.3Å; Y1244-N1248 WeakPolarHBondContact CE2-ND2 3.43Å; Y1244-N1248 WeakPolarHBondContact O-CB 3.44Å; Y1244-N1248 PolarHBondContact O-N 2.74Å; N1248-F1250 WeakPolarHBondContact O-CD2 3.13Å; N1248-F1250 PolarHBondContact O-N 3.03Å; N1248-F1250 VanDerWaalsContact O-N 3.16Å
1249	N	48	Very low	66	Low	162 Å²	162	79.9 Å²	79.9	87%	0.866	39%	0.39	S	S	*	.			trans	61.8	22.6	171.7	-123.3	6.2	0	0	0	115.3	Q1245	Q1245-N1249 PolarHBondContact O-N 2.71Å
1250	F	55.3	Low	65.9	Low	159 Å²	159	76.1 Å²	76.1	70%	0.697	37%	0.373	S	S	*	.			trans	-122.4	141.9	179.4	-81.6	-76.4	0	0	0	112	N1248	N1248-F1250 WeakPolarHBondContact O-CD2 3.13Å; N1248-F1250 PolarHBondContact O-N 3.03Å; N1248-F1250 VanDerWaalsContact O-N 3.16Å
1251	Q	57.2	Low	65.7	Low	195 Å²	195	76.6 Å²	76.6	91%	0.911	38%	0.375	S	S	*	.			trans	-67.9	130.6	163.9	-78.8	-175.6	-61.2	0	0	110.1	S1253	Q1251-S1253 PolarHBondContact O-N 2.88Å
1252	V	57.3	Low	65.7	Low	16 Å²	16	78.9 Å²	78.9	10%	0.097	39%	0.385	C	S	.	.			trans	-85.4	108.2	179.9	180	0	0	0	0	109.4	Y1244 Q1245 F1254 I1260	Y1244-V1252 HydrophobicContact CD1-CG2 3.8Å; Y1244-V1252 HydrophobicContact CE1-CG2 4.14Å; Q1245-V1252 HydrophobicContact CG-CG2 4.05Å; V1252-F1254 WeakPolarHBondContact O-CD2 3.39Å; V1252-F1254 PolarHBondContact O-N 3.13Å; V1252-F1254 VanDerWaalsContact O-N 3.07Å; V1252-I1260 HydrophobicContact CG1-CD1 4.1Å
1253	S	59.1	Low	65.6	Low	62 Å²	62	83.4 Å²	83.4	43%	0.434	40%	0.4	S	S	.	.			trans	-74.4	94	176.1	48.7	0	0	0	0	111.9	Q1251 E1255 H1256 N1257	Q1251-S1253 PolarHBondContact O-N 2.88Å; S1253-E1255 PolarHBondContact O-N 3.45Å; S1253-E1255 VanDerWaalsContact O-N 3.15Å; S1253-H1256 PolarHBondContact O-N 2.93Å; S1253-N1257 PolarHBondContact N-ND2 2.84Å; S1253-N1257 VanDerWaalsContact N-ND2 3.2Å; S1253-N1257 WeakPolarHBondContact O-CB 3.3Å; S1253-N1257 PolarHBondContact O-N 2.8Å; S1253-N1257 PolarHBondContact O-ND2 3.49Å; S1253-N1257 PolarHBondContact OG-ND2 2.9Å
1254	F	63.1	Low	65.6	Low	41 Å²	41	83.5 Å²	83.5	18%	0.18	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.5	-178.1	-67.8	-83	0	0	0	114.9	L1211 N1212 M1215 I1241 V1252 H1256	L1211-F1254 HydrophobicContact CB-CD1 3.93Å; L1211-F1254 PolarHBondContact N-O 2.91Å; N1212-F1254 HydrophobicContact CB-CB 4.07Å; N1212-F1254 PolarHBondContact N-O 3.05Å; M1215-F1254 HydrophobicContact CE-CE1 3.93Å; M1215-F1254 HydrophobicContact CE-CE2 4.46Å; M1215-F1254 HydrophobicContact CE-CZ 3.88Å; M1215-F1254 HydrophobicContact CG-CD1 3.77Å; M1215-F1254 HydrophobicContact CG-CE1 3.88Å; M1215-F1254 HydrophobicContact CG-CG 4.49Å; M1215-F1254 HydrophobicContact SD-CE1 4.01Å; I1241-F1254 HydrophobicContact CD1-CE1 3.89Å; I1241-F1254 HydrophobicContact CD1-CZ 4.34Å; I1241-F1254 HydrophobicContact CG2-CE1 4.47Å; I1241-F1254 HydrophobicContact CG2-CZ 4.05Å; V1252-F1254 WeakPolarHBondContact O-CD2 3.39Å; V1252-F1254 PolarHBondContact O-N 3.13Å; V1252-F1254 VanDerWaalsContact O-N 3.07Å; F1254-H1256 VanDerWaalsContact C-N 3.34Å
1255	E	55.4	Low	65.8	Low	117 Å²	117	85.6 Å²	85.6	55%	0.547	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-27.3	179.7	-60.5	178.5	147.1	0	0	114	S1253	S1253-E1255 PolarHBondContact O-N 3.45Å; S1253-E1255 VanDerWaalsContact O-N 3.15Å
1256	H	59.7	Low	65.9	Low	135 Å²	135	84.2 Å²	84.2	63%	0.625	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-25.1	-169.1	-70.9	85.3	0	0	0	113.2	S1253 F1254 L1258	S1253-H1256 PolarHBondContact O-N 2.93Å; F1254-H1256 VanDerWaalsContact C-N 3.34Å; H1256-L1258 PolarHBondContact O-N 2.89Å
1257	N	61.5	Low	66.1	Low	42 Å²	42	79.9 Å²	79.9	23%	0.225	39%	0.393	C	S	.	.			trans	-73.8	126.7	172.6	-68.4	-47.6	0	0	0	109.7	L1211 S1253	L1211-N1257 HydrophobicContact CD1-CB 4.06Å; L1211-N1257 WeakPolarHBondContact CG-O 3.35Å; L1211-N1257 PolarHBondContact N-O 3.46Å; S1253-N1257 PolarHBondContact N-ND2 2.84Å; S1253-N1257 VanDerWaalsContact N-ND2 3.2Å; S1253-N1257 WeakPolarHBondContact O-CB 3.3Å; S1253-N1257 PolarHBondContact O-N 2.8Å; S1253-N1257 PolarHBondContact O-ND2 3.49Å; S1253-N1257 PolarHBondContact OG-ND2 2.9Å
1258	L	63.5	Low	66.5	Low	31 Å²	31	74.4 Å²	74.4	16%	0.162	36%	0.364	C	S	.	.	S	Bend	trans	-86.1	-21.2	168.9	-69.2	167.6	0	0	0	111.8	Y1200 P1210 H1256	Y1200-L1258 WeakPolarHBondContact CB-O 3.37Å; P1210-L1258 HydrophobicContact CG-CD2 4.38Å; H1256-L1258 PolarHBondContact O-N 2.89Å
1259	Y	77.6	Confident	67.3	Low	65 Å²	65	71 Å²	71	26%	0.255	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	168.8	-174.1	66.5	-102	0	0	0	114.4	F1105 I1198 L1199 E1261	F1105-Y1259 AromaticContact CE1-CE1 3.7Å; F1105-Y1259 HydrophobicContact CE1-CE1 3.7Å; F1105-Y1259 AromaticContact CZ-CE1 3.85Å; F1105-Y1259 HydrophobicContact CZ-CE1 3.85Å; F1105-Y1259 AromaticContact CZ-CZ 3.81Å; I1198-Y1259 VanDerWaalsContact CG2-CB 3.42Å; I1198-Y1259 HydrophobicContact CG2-CD2 3.8Å; I1198-Y1259 HydrophobicContact CG2-CG 3.71Å; L1199-Y1259 CarbonylContact O-C 3.5Å; L1199-Y1259 WeakPolarHBondContact O-CA 3.15Å; L1199-Y1259 VanDerWaalsContact O-CB 3.27Å; L1199-Y1259 WeakPolarHBondContact O-CB 3.42Å; Y1259-E1261 HydrophobicContact CD2-CG 4Å; Y1259-E1261 HydrophobicContact CE2-CG 3.68Å
1260	I	80.2	Confident	68.5	Low	4 Å²	4	67.1 Å²	67.1	2%	0.021	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.4	172.6	-58.8	-176.5	0	0	0	108.9	I1198 L1199 L1211 I1241 Y1244 V1252	I1198-I1260 WeakPolarHBondContact CA-O 3.37Å; L1199-I1260 HydrophobicContact CB-CB 4.4Å; L1199-I1260 PolarHBondContact N-O 2.92Å; L1199-I1260 PolarHBondContact O-N 2.89Å; L1211-I1260 HydrophobicContact CD1-CD1 4.05Å; L1211-I1260 HydrophobicContact CD1-CG1 3.76Å; I1241-I1260 HydrophobicContact CB-CD1 4.24Å; I1241-I1260 HydrophobicContact CG1-CD1 3.54Å; I1241-I1260 HydrophobicContact CG2-CD1 4.48Å; Y1244-I1260 HydrophobicContact CD1-CG2 4.03Å; Y1244-I1260 HydrophobicContact CD2-CG2 3.28Å; Y1244-I1260 HydrophobicContact CE2-CG2 3.86Å; Y1244-I1260 HydrophobicContact CG-CG2 3.36Å; V1252-I1260 HydrophobicContact CG1-CD1 4.1Å
1261	E	76.1	Confident	69.4	Low	28 Å²	28	66.6 Å²	66.6	13%	0.131	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	136.4	176.3	-58.6	-159.9	113.6	0	0	112	K1196 Y1244 Y1259 Y1263	K1196-E1261 WeakPolarHBondContact CD-OE1 3.35Å; K1196-E1261 WeakPolarHBondContact CE-OE1 3.26Å; K1196-E1261 IonicContact NZ-OE1 3.69Å; K1196-E1261 PolarHBondContact NZ-OE1 2.55Å; Y1244-E1261 WeakPolarHBondContact CD2-O 3.22Å; Y1259-E1261 HydrophobicContact CD2-CG 4Å; Y1259-E1261 HydrophobicContact CE2-CG 3.68Å; E1261-Y1263 HydrophobicContact CB-CE2 4.03Å; E1261-Y1263 PolarHBondContact OE2-OH 3.02Å
1262	Q	77.1	Confident	70.4	Confident	51 Å²	51	57.3 Å²	57.3	24%	0.238	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.5	171.3	-169.8	180	22.1	0	0	109.8	W1183 K1196 R1197	W1183-Q1262 HydrophobicContact CH2-CG 4.24Å; W1183-Q1262 WeakPolarHBondContact CZ3-O 3.5Å; K1196-Q1262 CarbonylContact C-O 3.44Å; K1196-Q1262 WeakPolarHBondContact CA-O 3.1Å; R1197-Q1262 HydrophobicContact CG-CB 4.09Å; R1197-Q1262 PolarHBondContact N-O 3.22Å; R1197-Q1262 PolarHBondContact O-N 3.35Å
1263	Y	78.2	Confident	71.2	Confident	141 Å²	141	61.3 Å²	61.3	55%	0.553	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	154.4	-178.8	-68.4	-94.4	0	0	0	111.6	K1196 E1261	K1196-Y1263 HydrophobicContact CB-CD1 4.02Å; K1196-Y1263 HydrophobicContact CB-CE1 4Å; K1196-Y1263 HydrophobicContact CD-CE1 4.48Å; E1261-Y1263 HydrophobicContact CB-CE2 4.03Å; E1261-Y1263 PolarHBondContact OE2-OH 3.02Å
1264	N	75.8	Confident	71.8	Confident	72 Å²	72	65 Å²	65	39%	0.385	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	155.4	171.9	-168.4	2.2	0	0	0	109.4	W1183 R1195	W1183-N1264 HydrophobicContact CE3-CB 4.21Å; W1183-N1264 HydrophobicContact CH2-CB 3.34Å; W1183-N1264 HydrophobicContact CZ2-CB 3.9Å; W1183-N1264 HydrophobicContact CZ3-CB 3.5Å; R1195-N1264 HydrophobicContact CG-CB 4.38Å; R1195-N1264 VanDerWaalsContact CG-O 3.26Å; R1195-N1264 WeakPolarHBondContact CG-O 3.48Å; R1195-N1264 PolarHBondContact N-O 3.38Å; R1195-N1264 PolarHBondContact NH2-ND2 3.46Å; R1195-N1264 PolarHBondContact O-N 2.77Å; R1195-N1264 VanDerWaalsContact O-O 3.05Å
1265	D	75.8	Confident	72.3	Confident	119 Å²	119	65.8 Å²	65.8	64%	0.636	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	158.5	177.2	-63.2	-32.3	0	0	0	111.4	R1195	R1195-D1265 PolarHBondContact NE-O 2.85Å
1266	C	71.1	Confident	73.4	Confident	24 Å²	24	60.5 Å²	60.5	16%	0.162	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	-178.9	176.1	60.1	0	0	0	0	111.7	C1186 D1192 G1193 T1194 R1195	C1186-C1266 WeakPolarHBondContact CA-SG 3.35Å; C1186-C1266 HydrophobicContact CB-CB 3.89Å; C1186-C1266 WeakPolarHBondContact CB-SG 3.04Å; C1186-C1266 WeakPolarHBondContact SG-CB 3.3Å; C1186-C1266 CovalentContact SG-SG 2.04Å; C1186-C1266 PolarHBondContact SG-SG 2.88Å; D1192-C1266 WeakPolarHBondContact CA-O 3Å; G1193-C1266 PolarHBondContact N-O 2.9Å; G1193-C1266 PolarHBondContact O-N 3.4Å; G1193-C1266 VanDerWaalsContact O-O 3.07Å; G1193-C1266 PolarHBondContact O-SG 3.28Å; G1193-C1266 VanDerWaalsContact O-SG 3.39Å; T1194-C1266 VanDerWaalsContact CA-SG 3.56Å; T1194-C1266 PolarHBondContact N-SG 2.97Å; T1194-C1266 VanDerWaalsContact N-SG 3.45Å; R1195-C1266 HydrophobicContact CB-CB 4.27Å; R1195-C1266 HydrophobicContact CG-CB 3.84Å
1267	F	74.1	Confident	74.1	Confident	16 Å²	16	57.5 Å²	57.5	7%	0.07	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	140.5	-178.6	172.4	-82.1	0	0	0	107.6	C1186 G1191 L1269 F1359 A1363 L1366	C1186-F1267 PolarHBondContact SG-N 3.38Å; C1186-F1267 VanDerWaalsContact SG-N 3.35Å; G1191-F1267 WeakPolarHBondContact O-CA 3.11Å; F1267-L1269 HydrophobicContact CE1-CD1 4.39Å; F1267-L1269 HydrophobicContact CE1-CD2 4Å; F1267-L1269 HydrophobicContact CE1-CG 3.87Å; F1267-L1269 HydrophobicContact CZ-CD2 3.86Å; F1267-L1269 HydrophobicContact CZ-CG 4.21Å; F1267-F1359 AromaticContact CE2-CD2 3.61Å; F1267-F1359 HydrophobicContact CE2-CD2 3.61Å; F1267-F1359 AromaticContact CE2-CE2 3.49Å; F1267-F1359 HydrophobicContact CE2-CE2 3.49Å; F1267-F1359 VanDerWaalsContact CE2-CE2 3.49Å; F1267-F1359 AromaticContact CZ-CD2 3.61Å; F1267-F1359 HydrophobicContact CZ-CD2 3.61Å; F1267-F1359 AromaticContact CZ-CE2 3.31Å; F1267-F1359 HydrophobicContact CZ-CE2 3.31Å; F1267-F1359 HydrophobicContact CZ-CZ 4.2Å; F1267-A1363 HydrophobicContact CE1-CB 3.57Å; F1267-A1363 HydrophobicContact CZ-CB 3.9Å; F1267-L1366 HydrophobicContact CB-CD1 4.08Å; F1267-L1366 HydrophobicContact CD1-CD1 3.72Å; F1267-L1366 HydrophobicContact CG-CD1 4.19Å
1268	S	72	Confident	74.8	Confident	10 Å²	10	57.3 Å²	57.3	7%	0.07	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153	174.5	-172.1	0	0	0	0	112.4	C1190 G1191 S1270 E1368	C1190-S1268 CarbonylContact C-O 3.59Å; C1190-S1268 WeakPolarHBondContact CA-O 3.44Å; C1190-S1268 PolarHBondContact N-O 2.89Å; G1191-S1268 PolarHBondContact N-O 3.5Å; G1191-S1268 PolarHBondContact O-N 3.44Å; S1268-S1270 PolarHBondContact OG-N 3.14Å; S1268-S1270 PolarHBondContact OG-OG 3.16Å; S1268-E1368 VanDerWaalsContact CA-CD 3.5Å; S1268-E1368 VanDerWaalsContact CA-OE1 3.25Å; S1268-E1368 WeakPolarHBondContact CA-OE1 3.42Å; S1268-E1368 WeakPolarHBondContact CB-OE1 3.44Å; S1268-E1368 VanDerWaalsContact OG-CD 3.27Å; S1268-E1368 PolarHBondContact OG-OE1 3Å; S1268-E1368 PolarHBondContact OG-OE2 2.91Å
1269	L	75.7	Confident	74.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.278	C	S	.	.			trans	-120.5	10.6	173.8	-59.2	-174.7	0	0	0	112.6	S1189 F1267 K1271 C1272 R1273 I1276 F1359 A1363 E1368 L1369	S1189-L1269 CarbonylContact O-C 3.58Å; F1267-L1269 HydrophobicContact CE1-CD1 4.39Å; F1267-L1269 HydrophobicContact CE1-CD2 4Å; F1267-L1269 HydrophobicContact CE1-CG 3.87Å; F1267-L1269 HydrophobicContact CZ-CD2 3.86Å; F1267-L1269 HydrophobicContact CZ-CG 4.21Å; L1269-K1271 CarbonylContact O-C 3.6Å; L1269-K1271 PolarHBondContact O-N 3.02Å; L1269-C1272 CarbonylContact O-C 3.58Å; L1269-C1272 PolarHBondContact O-N 3.01Å; L1269-R1273 HydrophobicContact CB-CB 4.27Å; L1269-R1273 WeakPolarHBondContact O-CB 3.26Å; L1269-R1273 PolarHBondContact O-N 2.83Å; L1269-I1276 HydrophobicContact CD1-CD1 4Å; L1269-I1276 HydrophobicContact CD2-CD1 4.19Å; L1269-F1359 HydrophobicContact CD1-CZ 4.48Å; L1269-F1359 HydrophobicContact CD2-CE2 3.94Å; L1269-F1359 HydrophobicContact CD2-CZ 3.61Å; L1269-A1363 HydrophobicContact CD1-CB 3.47Å; L1269-A1363 VanDerWaalsContact CD1-CB 3.47Å; L1269-A1363 HydrophobicContact CG-CB 4.26Å; L1269-E1368 HydrophobicContact CB-CB 4.3Å; L1269-E1368 HydrophobicContact CD1-CB 4.43Å; L1269-E1368 HydrophobicContact CG-CB 4.21Å; L1269-E1368 PolarHBondContact N-OE2 2.97Å; L1269-L1369 HydrophobicContact CD1-CB 4.34Å; L1269-L1369 HydrophobicContact CD1-CD1 3.73Å
1270	S	73.7	Confident	73.8	Confident	82 Å²	82	56.6 Å²	56.6	57%	0.573	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.7	-27	-172.5	44.2	0	0	0	0	117.5	S1189 S1268 E1368	S1189-S1270 WeakPolarHBondContact CA-OG 3.39Å; S1189-S1270 WeakPolarHBondContact CB-OG 3.43Å; S1189-S1270 PolarHBondContact O-N 3.44Å; S1189-S1270 PolarHBondContact O-OG 2.93Å; S1268-S1270 PolarHBondContact OG-N 3.14Å; S1268-S1270 PolarHBondContact OG-OG 3.16Å; S1270-E1368 PolarHBondContact N-OE2 3.28Å
1271	K	73.5	Confident	72.3	Confident	147 Å²	147	59.1 Å²	59.1	64%	0.639	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-25.5	170.7	-75.4	-170.3	-166	169.1	0	116.1	S1189 L1269	S1189-K1271 PolarHBondContact O-N 3Å; S1189-K1271 VanDerWaalsContact OG-CD 3.22Å; S1189-K1271 WeakPolarHBondContact OG-CD 3.44Å; S1189-K1271 WeakPolarHBondContact OG-CE 3.24Å; S1189-K1271 WeakPolarHBondContact OG-CG 3.27Å; L1269-K1271 CarbonylContact O-C 3.6Å; L1269-K1271 PolarHBondContact O-N 3.02Å
1272	C	77.2	Confident	70.7	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-0.6	-171.5	61.4	0	0	0	0	114.2	C1190 L1269 N1274 D1275 I1276 H1332 L1335	C1190-C1272 HydrophobicContact CB-CB 3.97Å; C1190-C1272 WeakPolarHBondContact CB-SG 3.41Å; C1190-C1272 WeakPolarHBondContact SG-CB 3.43Å; C1190-C1272 CovalentContact SG-SG 2.04Å; C1190-C1272 PolarHBondContact SG-SG 3.09Å; L1269-C1272 CarbonylContact O-C 3.58Å; L1269-C1272 PolarHBondContact O-N 3.01Å; C1272-N1274 PolarHBondContact O-N 2.65Å; C1272-N1274 VanDerWaalsContact O-N 3.15Å; C1272-D1275 WeakPolarHBondContact CA-OD2 3.4Å; C1272-D1275 PolarHBondContact O-N 2.89Å; C1272-I1276 HydrophobicContact CB-CD1 4.41Å; C1272-I1276 WeakPolarHBondContact O-CD1 3.44Å; C1272-I1276 WeakPolarHBondContact O-CG1 3.35Å; C1272-I1276 PolarHBondContact O-N 2.81Å; C1272-H1332 HydrophobicContact CB-CB 4.19Å; C1272-L1335 HydrophobicContact CB-CD1 4.36Å
1273	R	75.4	Confident	69.1	Low	100 Å²	100	68 Å²	68	38%	0.377	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-34.9	176.4	176.2	-179.7	-176.5	127.4	4.9	113.6	L1269 G1367 E1368	L1269-R1273 HydrophobicContact CB-CB 4.27Å; L1269-R1273 WeakPolarHBondContact O-CB 3.26Å; L1269-R1273 PolarHBondContact O-N 2.83Å; R1273-G1367 PolarHBondContact NH1-O 3.22Å; R1273-E1368 VanDerWaalsContact CD-O 3.25Å; R1273-E1368 WeakPolarHBondContact CD-O 3.45Å; R1273-E1368 WeakPolarHBondContact CG-O 3.25Å; R1273-E1368 PolarHBondContact NH1-O 3.03Å; R1273-E1368 VanDerWaalsContact NH1-O 3.07Å
1274	N	71.6	Confident	67.2	Low	140 Å²	140	62.9 Å²	62.9	75%	0.749	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-16.3	-178	-63.4	-8.8	0	0	0	113.1	C1272	C1272-N1274 PolarHBondContact O-N 2.65Å; C1272-N1274 VanDerWaalsContact O-N 3.15Å
1275	D	73.9	Confident	65.4	Low	58 Å²	58	65.7 Å²	65.7	31%	0.31	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-15.1	178.6	-45.4	-39.7	0	0	0	111.2	C1272 I1325	C1272-D1275 WeakPolarHBondContact CA-OD2 3.4Å; C1272-D1275 PolarHBondContact O-N 2.89Å; D1275-I1325 HydrophobicContact CB-CG2 4.42Å; D1275-I1325 VanDerWaalsContact O-CA 3.3Å; D1275-I1325 WeakPolarHBondContact O-CA 3.24Å
1276	I	78.5	Confident	63.4	Low	6 Å²	6	61 Å²	61	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	95.7	-171.1	-59.9	165.5	0	0	0	109.3	L1269 C1272 C1323 L1335 L1355 F1359 L1369	L1269-I1276 HydrophobicContact CD1-CD1 4Å; L1269-I1276 HydrophobicContact CD2-CD1 4.19Å; C1272-I1276 HydrophobicContact CB-CD1 4.41Å; C1272-I1276 WeakPolarHBondContact O-CD1 3.44Å; C1272-I1276 WeakPolarHBondContact O-CG1 3.35Å; C1272-I1276 PolarHBondContact O-N 2.81Å; I1276-C1323 WeakPolarHBondContact CG2-SG 3.13Å; I1276-L1335 HydrophobicContact CD1-CD1 4.07Å; I1276-L1335 HydrophobicContact CD1-CD2 4.08Å; I1276-L1335 HydrophobicContact CG1-CD1 4.26Å; I1276-L1355 HydrophobicContact CB-CD1 4.45Å; I1276-L1355 HydrophobicContact CD1-CD1 4.46Å; I1276-L1355 HydrophobicContact CG1-CD1 3.91Å; I1276-L1355 HydrophobicContact CG2-CD1 3.88Å; I1276-F1359 HydrophobicContact CD1-CE1 4.18Å; I1276-F1359 HydrophobicContact CD1-CZ 4.19Å; I1276-L1369 HydrophobicContact CB-CD1 3.84Å; I1276-L1369 HydrophobicContact CG2-CD1 3.66Å; I1276-L1369 HydrophobicContact CG2-CD2 4Å; I1276-L1369 HydrophobicContact CG2-CG 4.49Å
1277	N	73.5	Confident	61.8	Low	71 Å²	71	63.4 Å²	63.4	38%	0.38	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.6	179.2	-78.5	-19.3	0	0	0	111.9	S1279 I1324 E1326	N1277-S1279 PolarHBondContact O-N 2.88Å; N1277-I1324 HydrophobicContact CB-CG1 4.21Å; N1277-I1324 PolarHBondContact N-O 2.97Å; N1277-I1324 WeakPolarHBondContact O-CG1 3.06Å; N1277-I1324 PolarHBondContact O-N 3.18Å; N1277-E1326 PolarHBondContact ND2-OE2 2.04Å; N1277-E1326 VanDerWaalsContact ND2-OE2 3.12Å
1278	W	77.2	Confident	60.1	Low	39 Å²	39	66.9 Å²	66.9	15%	0.148	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	118.2	161.5	-70	120.9	0	0	0	109.7	V1321 C1323 C1360 R1361 L1369 M1370 E1371 E1372 P1373	W1278-V1321 HydrophobicContact CD2-CG1 4.26Å; W1278-V1321 HydrophobicContact CE3-CG1 3.46Å; W1278-V1321 VanDerWaalsContact CE3-CG1 3.46Å; W1278-V1321 HydrophobicContact CZ3-CG1 3.75Å; W1278-C1323 HydrophobicContact CE3-CB 4.02Å; W1278-C1323 HydrophobicContact CZ3-CB 3.93Å; W1278-C1360 HydrophobicContact CH2-CB 3.44Å; W1278-C1360 VanDerWaalsContact CH2-CB 3.44Å; W1278-C1360 HydrophobicContact CZ2-CB 3.82Å; W1278-C1360 HydrophobicContact CZ3-CB 3.82Å; W1278-R1361 HydrophobicContact CH2-CG 4.28Å; W1278-L1369 HydrophobicContact CD2-CD2 4.47Å; W1278-L1369 HydrophobicContact CZ2-CD2 4Å; W1278-M1370 PolarHBondContact NE1-O 3.27Å; W1278-E1371 PolarHBondContact NE1-O 2.82Å; W1278-E1372 HydrophobicContact CE3-CG 4.45Å; W1278-E1372 HydrophobicContact CH2-CB 4.05Å; W1278-E1372 HydrophobicContact CH2-CG 3.78Å; W1278-E1372 HydrophobicContact CZ2-CB 3.7Å; W1278-E1372 HydrophobicContact CZ2-CG 3.92Å; W1278-E1372 HydrophobicContact CZ3-CG 4.08Å; W1278-P1373 HydrophobicContact CB-CG 3.68Å; W1278-P1373 VanDerWaalsContact CG-CD 3.46Å; W1278-P1373 HydrophobicContact CG-CG 4.09Å
1279	S	64.5	Low	58.3	Low	17 Å²	17	67.1 Å²	67.1	12%	0.119	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.1	175	159	0	0	0	0	109.7	N1277 S1322 I1324 R1352	N1277-S1279 PolarHBondContact O-N 2.88Å; S1279-S1322 WeakPolarHBondContact CB-OG 3.36Å; S1279-S1322 PolarHBondContact N-O 3.43Å; S1279-S1322 PolarHBondContact O-N 3.28Å; S1279-S1322 PolarHBondContact O-OG 2.89Å; S1279-S1322 VanDerWaalsContact O-OG 3.05Å; S1279-S1322 PolarHBondContact OG-OG 3.11Å; S1279-I1324 VanDerWaalsContact CB-CD1 3.44Å; S1279-R1352 PolarHBondContact OG-NH1 2.69Å; S1279-R1352 VanDerWaalsContact OG-NH1 3.17Å
1280	T	55.3	Low	56.6	Low	64 Å²	64	70.3 Å²	70.3	39%	0.393	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	137.9	170.1	53.8	0	0	0	0	110.5	V1321 P1373	T1280-V1321 HydrophobicContact CG2-CG2 4.36Å; T1280-P1373 HydrophobicContact CG2-CB 3.61Å; T1280-P1373 HydrophobicContact CG2-CG 4Å
1281	T	47.9	Very low	54.9	Low	57 Å²	57	71.9 Å²	71.9	35%	0.35	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-65.4	156.9	158.3	62.5	0	0	0	0	109.7	W1283 N1320	T1281-W1283 PolarHBondContact O-N 3.39Å; T1281-N1320 HydrophobicContact CG2-CB 3.81Å; T1281-N1320 PolarHBondContact N-O 3.11Å; T1281-N1320 PolarHBondContact OG1-N 3.18Å
1282	R	43.9	Very low	53.1	Low	205 Å²	205	71.7 Å²	71.7	77%	0.774	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-57	135	168.2	-63.6	-177.6	-177.3	-169.3	-0	108.7	S1284	R1282-S1284 PolarHBondContact O-N 3.45Å
1283	W	42.8	Very low	51.2	Low	59 Å²	59	73.9 Å²	73.9	22%	0.223	36%	0.364	C	S	.	.			trans	-43.7	134.1	160.7	-74	133.2	0	0	0	110.8	T1281 R1317 R1319	T1281-W1283 PolarHBondContact O-N 3.39Å; W1283-R1317 HydrophobicContact CD2-CG 4.37Å; W1283-R1317 HydrophobicContact CE3-CB 3.99Å; W1283-R1317 HydrophobicContact CE3-CG 3.84Å; W1283-R1317 HydrophobicContact CH2-CB 4.42Å; W1283-R1317 HydrophobicContact CH2-CG 4.39Å; W1283-R1317 HydrophobicContact CZ3-CB 3.72Å; W1283-R1317 HydrophobicContact CZ3-CG 3.9Å; W1283-R1319 HydrophobicContact CD2-CG 4.15Å; W1283-R1319 VanDerWaalsContact CE2-CZ 3.48Å; W1283-R1319 VanDerWaalsContact CE2-NE 3.26Å; W1283-R1319 HydrophobicContact CE3-CB 4.15Å; W1283-R1319 HydrophobicContact CE3-CG 3.63Å; W1283-R1319 VanDerWaalsContact CH2-NE 3.31Å; W1283-R1319 VanDerWaalsContact CH2-NH2 3.32Å; W1283-R1319 VanDerWaalsContact CZ2-NE 3.29Å; W1283-R1319 HydrophobicContact CZ3-CG 3.92Å; W1283-R1319 VanDerWaalsContact CZ3-NE 3.34Å
1284	S	37.2	Very low	49.7	Very low	35 Å²	35	71.2 Å²	71.2	25%	0.245	36%	0.355	C	S	.	.			trans	-77.4	155.5	153.4	36.4	0	0	0	0	110.8	R1282 V1316 R1317 Y1318	R1282-S1284 PolarHBondContact O-N 3.45Å; S1284-V1316 WeakPolarHBondContact CB-O 3.21Å; S1284-V1316 PolarHBondContact OG-O 3.29Å; S1284-R1317 WeakPolarHBondContact O-CG 3.26Å; S1284-Y1318 WeakPolarHBondContact OG-CD1 3.25Å; S1284-Y1318 PolarHBondContact OG-N 2.67Å; S1284-Y1318 PolarHBondContact OG-O 2.93Å
1285	E	38.5	Very low	48.2	Very low	130 Å²	130	67.7 Å²	67.7	61%	0.607	34%	0.341	S	S	*	.	S	Bend	trans	-82.9	163.6	-175.7	-66.7	168.7	171.2	0	0	112.8	G1315	E1285-G1315 CarbonylContact O-C 3.45Å; E1285-G1315 WeakPolarHBondContact O-CA 3.31Å
1286	C	34.4	Very low	46.5	Very low	21 Å²	21	68.8 Å²	68.8	14%	0.142	35%	0.347	C	S	.	.			trans	81.6	153.5	-176.7	-45.4	0	0	0	0	119	G1315 R1317 C1384	C1286-G1315 WeakPolarHBondContact CB-O 3.37Å; C1286-R1317 WeakPolarHBondContact O-CB 3.35Å; C1286-R1317 WeakPolarHBondContact O-CG 3.08Å; C1286-R1317 PolarHBondContact O-N 3.38Å; C1286-C1384 HydrophobicContact CB-CB 3.99Å; C1286-C1384 WeakPolarHBondContact CB-SG 3.45Å; C1286-C1384 WeakPolarHBondContact SG-CA 3.39Å; C1286-C1384 WeakPolarHBondContact SG-CB 3.42Å; C1286-C1384 CovalentContact SG-SG 2.02Å; C1286-C1384 PolarHBondContact SG-SG 2.81Å
1287	E	37.8	Very low	44.6	Very low	75 Å²	75	70.4 Å²	70.4	35%	0.35	36%	0.359	S	S	.	.			trans	-131.9	-169.6	-162.2	-51.5	-168.8	138	0	0	112.1	R1317	E1287-R1317 IonicContact OE1-CZ 2.68Å; E1287-R1317 IonicContact OE1-NH1 3.15Å; E1287-R1317 PolarHBondContact OE1-NH1 2.83Å; E1287-R1317 IonicContact OE1-NH2 2.81Å; E1287-R1317 PolarHBondContact OE1-NH2 2.84Å
1288	P	37.8	Very low	43.1	Very low	89 Å²	89	75 Å²	75	58%	0.578	37%	0.371	S	S	*	.				-112.4	176.7	-65.2	35.9	-23.7	0	0	0	110.2
1289	L	34.8	Very low	41.4	Very low	14 Å²	14	78.7 Å²	78.7	7%	0.073	39%	0.392	C	S	.	.			trans	-135.2	136.5	-155	-44	164.4	0	0	0	113	K1294 E1377 A1378 C1379 P1382	L1289-K1294 WeakPolarHBondContact O-CE 3.12Å; L1289-K1294 PolarHBondContact O-NZ 3.17Å; L1289-E1377 HydrophobicContact CD1-CB 4.04Å; L1289-A1378 WeakPolarHBondContact CB-O 3.1Å; L1289-A1378 VanDerWaalsContact CD1-N 3.31Å; L1289-C1379 HydrophobicContact CD1-CB 4.16Å; L1289-C1379 HydrophobicContact CD2-CB 4.21Å; L1289-P1382 HydrophobicContact CD2-CG 4.33Å
1290	D	40.1	Very low	40.3	Very low	67 Å²	67	82 Å²	82	36%	0.358	41%	0.412	S	S	.	.			trans	-82.5	168.1	-163.3	75.7	62.8	0	0	0	116.2	Q1292 M1293 K1294 T1380	D1290-Q1292 PolarHBondContact O-N 3.08Å; D1290-Q1292 WeakPolarHBondContact OD1-CA 3.38Å; D1290-Q1292 PolarHBondContact OD1-N 3Å; D1290-M1293 PolarHBondContact O-N 2.81Å; D1290-M1293 PolarHBondContact OD1-N 3.19Å; D1290-M1293 WeakPolarHBondContact OD2-CE 3.37Å; D1290-K1294 VanDerWaalsContact O-CB 3.26Å; D1290-K1294 WeakPolarHBondContact O-CB 3.22Å; D1290-K1294 WeakPolarHBondContact O-CD 3.29Å; D1290-K1294 WeakPolarHBondContact O-CG 3.47Å; D1290-K1294 PolarHBondContact O-N 2.85Å; D1290-T1380 WeakPolarHBondContact OD2-CB 3.13Å; D1290-T1380 PolarHBondContact OD2-OG1 3.26Å
1291	E	37.7	Very low	39.3	Very low	116 Å²	116	82.9 Å²	82.9	54%	0.542	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-30.5	-175.5	-73.1	-56.9	128	0	0	115.4	K1294 S1295	E1291-K1294 WeakPolarHBondContact OE1-CD 3.3Å; E1291-K1294 WeakPolarHBondContact OE1-CE 3.44Å; E1291-K1294 IonicContact OE1-NZ 2.73Å; E1291-K1294 PolarHBondContact OE1-NZ 2.92Å; E1291-S1295 PolarHBondContact O-N 2.83Å
1292	Q	35.2	Very low	38.7	Very low	142 Å²	142	87.2 Å²	87.2	66%	0.664	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-27.7	-179.5	-168	162.2	-2.9	0	0	111.3	D1290 S1295 N1296	D1290-Q1292 PolarHBondContact O-N 3.08Å; D1290-Q1292 WeakPolarHBondContact OD1-CA 3.38Å; D1290-Q1292 PolarHBondContact OD1-N 3Å; Q1292-S1295 WeakPolarHBondContact O-CA 3.3Å; Q1292-S1295 WeakPolarHBondContact O-CB 3.27Å; Q1292-S1295 PolarHBondContact O-N 2.86Å; Q1292-N1296 PolarHBondContact O-N 3.06Å
1293	M	37.2	Very low	38.3	Very low	47 Å²	47	83 Å²	83	23%	0.232	43%	0.427	C	S	.	.	H	α-helix	trans	-92	-18	172.3	-87.5	53.8	94.6	0	0	113.6	D1290 S1295 N1296 C1297 A1378 C1379 T1380	D1290-M1293 PolarHBondContact O-N 2.81Å; D1290-M1293 PolarHBondContact OD1-N 3.19Å; D1290-M1293 WeakPolarHBondContact OD2-CE 3.37Å; M1293-S1295 PolarHBondContact O-N 3.19Å; M1293-N1296 HydrophobicContact CG-CB 4.32Å; M1293-N1296 PolarHBondContact O-N 2.81Å; M1293-N1296 PolarHBondContact SD-ND2 2.78Å; M1293-C1297 WeakPolarHBondContact O-CB 3.5Å; M1293-C1297 PolarHBondContact O-N 2.36Å; M1293-A1378 CarbonylContact C-O 3.51Å; M1293-A1378 CarbonylContact O-C 3.58Å; M1293-C1379 VanDerWaalsContact CB-O 3.24Å; M1293-C1379 WeakPolarHBondContact CB-O 3.19Å; M1293-C1379 VanDerWaalsContact CG-O 3.25Å; M1293-C1379 WeakPolarHBondContact CG-O 3.25Å; M1293-T1380 WeakPolarHBondContact CB-OG1 3.08Å; M1293-T1380 HydrophobicContact CE-CG2 3.56Å; M1293-T1380 WeakPolarHBondContact CE-OG1 3.26Å; M1293-T1380 HydrophobicContact CG-CG2 3.92Å; M1293-T1380 WeakPolarHBondContact CG-OG1 3.4Å
1294	K	43.7	Very low	37.7	Very low	44 Å²	44	86.6 Å²	86.6	19%	0.191	46%	0.455	C	S	.	.	H	α-helix	trans	-59.7	-23.6	151.9	-75.7	161.4	170.1	165	0	111.8	L1289 D1290 E1291 R1298 A1378	L1289-K1294 WeakPolarHBondContact O-CE 3.12Å; L1289-K1294 PolarHBondContact O-NZ 3.17Å; D1290-K1294 VanDerWaalsContact O-CB 3.26Å; D1290-K1294 WeakPolarHBondContact O-CB 3.22Å; D1290-K1294 WeakPolarHBondContact O-CD 3.29Å; D1290-K1294 WeakPolarHBondContact O-CG 3.47Å; D1290-K1294 PolarHBondContact O-N 2.85Å; E1291-K1294 WeakPolarHBondContact OE1-CD 3.3Å; E1291-K1294 WeakPolarHBondContact OE1-CE 3.44Å; E1291-K1294 IonicContact OE1-NZ 2.73Å; E1291-K1294 PolarHBondContact OE1-NZ 2.92Å; K1294-R1298 WeakPolarHBondContact O-CD 3.36Å; K1294-R1298 WeakPolarHBondContact O-CG 3.3Å; K1294-R1298 PolarHBondContact O-NE 3.39Å; K1294-R1298 VanDerWaalsContact O-NE 3.08Å; K1294-A1378 HydrophobicContact CB-CB 4.43Å; K1294-A1378 HydrophobicContact CG-CB 4.24Å; K1294-A1378 PolarHBondContact N-O 3.4Å
1295	S	40.9	Very low	37.6	Very low	65 Å²	65	91.3 Å²	91.3	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-80.6	-44.1	165.8	-162.2	0	0	0	0	112.7	E1291 Q1292 M1293 R1298	E1291-S1295 PolarHBondContact O-N 2.83Å; Q1292-S1295 WeakPolarHBondContact O-CA 3.3Å; Q1292-S1295 WeakPolarHBondContact O-CB 3.27Å; Q1292-S1295 PolarHBondContact O-N 2.86Å; M1293-S1295 PolarHBondContact O-N 3.19Å; S1295-R1298 WeakPolarHBondContact O-CB 3.46Å; S1295-R1298 PolarHBondContact O-N 2.89Å
1296	N	37.6	Very low	37.6	Very low	82 Å²	82	92.9 Å²	92.9	44%	0.439	48%	0.478	S	S	.	.	H	α-helix	trans	-71.7	-40.7	-176.9	-70.8	-33.6	0	0	0	114.1	Q1292 M1293 R1298 L1299	Q1292-N1296 PolarHBondContact O-N 3.06Å; M1293-N1296 HydrophobicContact CG-CB 4.32Å; M1293-N1296 PolarHBondContact O-N 2.81Å; M1293-N1296 PolarHBondContact SD-ND2 2.78Å; N1296-R1298 PolarHBondContact O-N 2.74Å; N1296-L1299 WeakPolarHBondContact O-CB 3.46Å; N1296-L1299 WeakPolarHBondContact O-CG 3.46Å; N1296-L1299 PolarHBondContact O-N 3.29Å
1297	C	39.8	Very low	37.7	Very low	40 Å²	40	100 Å²	100	27%	0.27	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-75.2	-8.6	177.8	-102.6	0	0	0	0	113.6	M1293 L1299 V1300 A1378 C1379	M1293-C1297 WeakPolarHBondContact O-CB 3.5Å; M1293-C1297 PolarHBondContact O-N 2.36Å; C1297-L1299 PolarHBondContact O-N 2.55Å; C1297-V1300 PolarHBondContact O-N 3.32Å; C1297-A1378 HydrophobicContact CB-CB 3.25Å; C1297-C1379 VanDerWaalsContact SG-SG 3.7Å
1298	R	40.4	Very low	37.9	Very low	168 Å²	168	102.2 Å²	102.2	63%	0.634	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-66.5	-14.3	161.9	-74.2	167.2	-171.3	158.1	7.3	112.8	K1294 S1295 N1296	K1294-R1298 WeakPolarHBondContact O-CD 3.36Å; K1294-R1298 WeakPolarHBondContact O-CG 3.3Å; K1294-R1298 PolarHBondContact O-NE 3.39Å; K1294-R1298 VanDerWaalsContact O-NE 3.08Å; S1295-R1298 WeakPolarHBondContact O-CB 3.46Å; S1295-R1298 PolarHBondContact O-N 2.89Å; N1296-R1298 PolarHBondContact O-N 2.74Å
1299	L	41.6	Very low	38	Very low	115 Å²	115	102.3 Å²	102.3	60%	0.602	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-83.9	-21.3	174.9	-58.3	169.5	0	0	0	113.1	N1296 C1297 D1301 N1302	N1296-L1299 WeakPolarHBondContact O-CB 3.46Å; N1296-L1299 WeakPolarHBondContact O-CG 3.46Å; N1296-L1299 PolarHBondContact O-N 3.29Å; C1297-L1299 PolarHBondContact O-N 2.55Å; L1299-D1301 PolarHBondContact O-N 3.22Å; L1299-N1302 PolarHBondContact O-N 2.04Å
1300	V	41.6	Very low	38.2	Very low	86 Å²	86	105.4 Å²	105.4	52%	0.521	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-70.5	-22	-175	178.3	0	0	0	0	112.1	C1297 N1302 I1303	C1297-V1300 PolarHBondContact O-N 3.32Å; V1300-N1302 PolarHBondContact O-N 3.08Å; V1300-N1302 VanDerWaalsContact O-N 3.11Å; V1300-I1303 PolarHBondContact O-N 3.33Å; V1300-I1303 VanDerWaalsContact O-N 3.15Å
1301	D	34.9	Very low	38.1	Very low	83 Å²	83	107.9 Å²	107.9	44%	0.444	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-59.8	-17.6	175.7	-89.8	-54.5	0	0	0	115.5	L1299 R1376	L1299-D1301 PolarHBondContact O-N 3.22Å; D1301-R1376 IonicContact OD1-CZ 2.7Å; D1301-R1376 IonicContact OD1-NH1 2.74Å; D1301-R1376 PolarHBondContact OD1-NH1 2.86Å; D1301-R1376 IonicContact OD1-NH2 3.18Å; D1301-R1376 PolarHBondContact OD1-NH2 2.89Å; D1301-R1376 IonicContact OD2-CZ 2.68Å; D1301-R1376 IonicContact OD2-NH1 3.73Å; D1301-R1376 PolarHBondContact OD2-NH1 3.18Å; D1301-R1376 IonicContact OD2-NH2 3.88Å
1302	N	34.9	Very low	38	Very low	148 Å²	148	110.1 Å²	110.1	79%	0.791	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-95	5.6	179	-79	-20.8	0	0	0	113.8	L1299 V1300	L1299-N1302 PolarHBondContact O-N 2.04Å; V1300-N1302 PolarHBondContact O-N 3.08Å; V1300-N1302 VanDerWaalsContact O-N 3.11Å
1303	I	34.9	Very low	38	Very low	117 Å²	117	105.9 Å²	105.9	60%	0.6	54%	0.535	S	S	*	.			trans	-121.1	97.7	-172.3	-51.9	-179.4	0	0	0	110.9	V1300 D1305	V1300-I1303 PolarHBondContact O-N 3.33Å; V1300-I1303 VanDerWaalsContact O-N 3.15Å; I1303-D1305 VanDerWaalsContact C-N 3.32Å; I1303-D1305 PolarHBondContact O-N 3.41Å
1304	T	31.1	Very low	37.8	Very low	134 Å²	134	110.4 Å²	110.4	82%	0.822	56%	0.558	S	S	*	*			trans	-77.3	-1.9	-173.9	38.3	0	0	0	0	116.1
1305	D	34.1	Very low	37.3	Very low	135 Å²	135	108.6 Å²	108.6	72%	0.722	55%	0.552	S	S	*	*			trans	-125.4	12	-144.7	-100.4	-51.2	0	0	0	118.9	I1303	I1303-D1305 VanDerWaalsContact C-N 3.32Å; I1303-D1305 PolarHBondContact O-N 3.41Å
1306	R	39.1	Very low	37	Very low	163 Å²	163	106.4 Å²	106.4	62%	0.615	54%	0.536	S	S	*	.			trans	-133.7	78.8	-178.5	-71.9	-168.2	173.5	-169.8	-3.1	115.7	D1308	R1306-D1308 VanDerWaalsContact C-N 3.34Å; R1306-D1308 PolarHBondContact O-N 3.33Å
1307	K	37.4	Very low	36.9	Very low	169 Å²	169	105.8 Å²	105.8	74%	0.735	53%	0.527	S	S	*	.	H	α-helix	trans	-59.6	-36	173.7	-74.3	171.3	178.3	163.2	0	113.8	L1309 I1310	K1307-L1309 VanDerWaalsContact C-N 3.32Å; K1307-L1309 PolarHBondContact O-N 2.99Å; K1307-I1310 PolarHBondContact O-N 2.95Å
1308	D	41	Very low	36.8	Very low	123 Å²	123	108 Å²	108	66%	0.658	53%	0.531	S	S	*	.	H	α-helix	trans	-74.4	-17	-173.5	-61.1	-54.6	0	0	0	115.1	R1306	R1306-D1308 VanDerWaalsContact C-N 3.34Å; R1306-D1308 PolarHBondContact O-N 3.33Å
1309	L	40.8	Very low	37	Very low	91 Å²	91	103 Å²	103	48%	0.476	51%	0.512	S	S	.	.	H	α-helix	trans	-76.6	-38.6	175	-150.2	75.2	0	0	0	110.8	K1307 N1311 K1312 I1313	K1307-L1309 VanDerWaalsContact C-N 3.32Å; K1307-L1309 PolarHBondContact O-N 2.99Å; L1309-N1311 VanDerWaalsContact C-N 3.31Å; L1309-N1311 PolarHBondContact O-N 3.1Å; L1309-K1312 PolarHBondContact O-N 3.44Å; L1309-K1312 VanDerWaalsContact O-N 3.16Å; L1309-I1313 HydrophobicContact CG-CD1 4.41Å; L1309-I1313 WeakPolarHBondContact O-CG1 3.42Å
1310	I	37.5	Very low	37.4	Very low	78 Å²	78	102 Å²	102	40%	0.4	51%	0.507	S	S	.	.	H	α-helix	trans	-62.2	-39.2	-179.3	-59.4	172.7	0	0	0	110.8	K1307 K1312 I1313 Y1318	K1307-I1310 PolarHBondContact O-N 2.95Å; I1310-K1312 PolarHBondContact O-N 2.95Å; I1310-I1313 PolarHBondContact O-N 3.37Å; I1310-Y1318 HydrophobicContact CG2-CE1 4.23Å; I1310-Y1318 HydrophobicContact CG2-CE2 4.26Å; I1310-Y1318 WeakPolarHBondContact CG2-OH 3.42Å
1311	N	37.8	Very low	38.3	Very low	119 Å²	119	98.4 Å²	98.4	64%	0.636	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-11.2	179.7	-68.9	-24.4	0	0	0	114.5	L1309	L1309-N1311 VanDerWaalsContact C-N 3.31Å; L1309-N1311 PolarHBondContact O-N 3.1Å
1312	K	36.2	Very low	40.1	Very low	164 Å²	164	95.5 Å²	95.5	71%	0.713	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-14.6	179	-71.3	177.5	177.5	177.7	0	113.6	L1309 I1310 I1314	L1309-K1312 PolarHBondContact O-N 3.44Å; L1309-K1312 VanDerWaalsContact O-N 3.16Å; I1310-K1312 PolarHBondContact O-N 2.95Å; K1312-I1314 PolarHBondContact O-N 3Å
1313	I	36.1	Very low	42.1	Very low	53 Å²	53	88.5 Å²	88.5	27%	0.272	43%	0.434	S	S	.	.			trans	-98.1	74.2	-174.4	-57.1	167.6	0	0	0	109.1	L1309 I1310 G1315 V1316 I1428	L1309-I1313 HydrophobicContact CG-CD1 4.41Å; L1309-I1313 WeakPolarHBondContact O-CG1 3.42Å; I1310-I1313 PolarHBondContact O-N 3.37Å; I1313-G1315 PolarHBondContact O-N 3.47Å; I1313-V1316 HydrophobicContact CG2-CB 3.98Å; I1313-V1316 HydrophobicContact CG2-CG2 3.47Å; I1313-V1316 VanDerWaalsContact CG2-CG2 3.47Å; I1313-I1428 HydrophobicContact CD1-CD1 4.29Å; I1313-I1428 HydrophobicContact CG1-CD1 4.47Å
1314	I	32.9	Very low	44.3	Very low	141 Å²	141	83.2 Å²	83.2	72%	0.723	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	108	172.2	-56.1	173.1	0	0	0	107.6	K1312	K1312-I1314 PolarHBondContact O-N 3Å
1315	G	33.4	Very low	46.6	Very low	7 Å²	7	77 Å²	77	7%	0.072	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	122.2	24.5	177.8	0	0	0	0	0	117	E1285 C1286 I1313 C1384	E1285-G1315 CarbonylContact O-C 3.45Å; E1285-G1315 WeakPolarHBondContact O-CA 3.31Å; C1286-G1315 WeakPolarHBondContact CB-O 3.37Å; I1313-G1315 PolarHBondContact O-N 3.47Å; G1315-C1384 WeakPolarHBondContact CA-SG 3.44Å
1316	V	33.7	Very low	47.8	Very low	18 Å²	18	74.5 Å²	74.5	11%	0.109	35%	0.353	C	S	.	.			trans	-118.1	122.8	169	166.7	0	0	0	0	109.1	S1284 I1313 Y1318 P1382	S1284-V1316 WeakPolarHBondContact CB-O 3.21Å; S1284-V1316 PolarHBondContact OG-O 3.29Å; I1313-V1316 HydrophobicContact CG2-CB 3.98Å; I1313-V1316 HydrophobicContact CG2-CG2 3.47Å; I1313-V1316 VanDerWaalsContact CG2-CG2 3.47Å; V1316-Y1318 WeakPolarHBondContact O-CD1 3.24Å; V1316-Y1318 PolarHBondContact O-N 2.69Å; V1316-P1382 HydrophobicContact CG2-CG 4.16Å
1317	R	35.6	Very low	48.7	Very low	69 Å²	69	72.6 Å²	72.6	26%	0.26	36%	0.355	S	S	.	.			trans	-63.6	89.7	169.3	-103.6	-179.7	-171.2	164.4	14.5	111.4	W1283 S1284 C1286 E1287	W1283-R1317 HydrophobicContact CD2-CG 4.37Å; W1283-R1317 HydrophobicContact CE3-CB 3.99Å; W1283-R1317 HydrophobicContact CE3-CG 3.84Å; W1283-R1317 HydrophobicContact CH2-CB 4.42Å; W1283-R1317 HydrophobicContact CH2-CG 4.39Å; W1283-R1317 HydrophobicContact CZ3-CB 3.72Å; W1283-R1317 HydrophobicContact CZ3-CG 3.9Å; S1284-R1317 WeakPolarHBondContact O-CG 3.26Å; C1286-R1317 WeakPolarHBondContact O-CB 3.35Å; C1286-R1317 WeakPolarHBondContact O-CG 3.08Å; C1286-R1317 PolarHBondContact O-N 3.38Å; E1287-R1317 IonicContact OE1-CZ 2.68Å; E1287-R1317 IonicContact OE1-NH1 3.15Å; E1287-R1317 PolarHBondContact OE1-NH1 2.83Å; E1287-R1317 IonicContact OE1-NH2 2.81Å; E1287-R1317 PolarHBondContact OE1-NH2 2.84Å
1318	Y	37.7	Very low	49.4	Very low	86 Å²	86	68.5 Å²	68.5	34%	0.337	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-112.1	148.2	163.7	68.3	-88.8	0	0	0	109.9	S1284 I1310 V1316	S1284-Y1318 WeakPolarHBondContact OG-CD1 3.25Å; S1284-Y1318 PolarHBondContact OG-N 2.67Å; S1284-Y1318 PolarHBondContact OG-O 2.93Å; I1310-Y1318 HydrophobicContact CG2-CE1 4.23Å; I1310-Y1318 HydrophobicContact CG2-CE2 4.26Å; I1310-Y1318 WeakPolarHBondContact CG2-OH 3.42Å; V1316-Y1318 WeakPolarHBondContact O-CD1 3.24Å; V1316-Y1318 PolarHBondContact O-N 2.69Å
1319	R	44.8	Very low	50.1	Low	64 Å²	64	69.1 Å²	69.1	24%	0.242	35%	0.345	C	S	.	.			trans	-134.2	111.7	167	41.3	-178.8	154.7	156.1	-4.2	108.2	W1283 V1321 Y1374 G1375	W1283-R1319 HydrophobicContact CD2-CG 4.15Å; W1283-R1319 VanDerWaalsContact CE2-CZ 3.48Å; W1283-R1319 VanDerWaalsContact CE2-NE 3.26Å; W1283-R1319 HydrophobicContact CE3-CB 4.15Å; W1283-R1319 HydrophobicContact CE3-CG 3.63Å; W1283-R1319 VanDerWaalsContact CH2-NE 3.31Å; W1283-R1319 VanDerWaalsContact CH2-NH2 3.32Å; W1283-R1319 VanDerWaalsContact CZ2-NE 3.29Å; W1283-R1319 HydrophobicContact CZ3-CG 3.92Å; W1283-R1319 VanDerWaalsContact CZ3-NE 3.34Å; R1319-V1321 PolarHBondContact O-N 3.41Å; R1319-Y1374 PolarHBondContact NE-O 2.95Å; R1319-Y1374 PolarHBondContact NH1-O 2.9Å; R1319-Y1374 VanDerWaalsContact NH1-O 3.14Å; R1319-Y1374 PolarHBondContact NH2-O 3.18Å; R1319-G1375 WeakPolarHBondContact CG-O 3.27Å
1320	N	50.6	Low	50.6	Low	93 Å²	93	72 Å²	72	50%	0.497	36%	0.36	S	S	.	.			trans	-68.4	108	177.9	-71.6	-15.8	0	0	0	107.7	T1281 S1322	T1281-N1320 HydrophobicContact CG2-CB 3.81Å; T1281-N1320 PolarHBondContact N-O 3.11Å; T1281-N1320 PolarHBondContact OG1-N 3.18Å; N1320-S1322 PolarHBondContact O-N 2.96Å
1321	V	60.3	Low	51.6	Low	11 Å²	11	72.8 Å²	72.8	7%	0.067	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	110.7	170.2	-172.2	0	0	0	0	107.3	W1278 T1280 R1319 E1372	W1278-V1321 HydrophobicContact CD2-CG1 4.26Å; W1278-V1321 HydrophobicContact CE3-CG1 3.46Å; W1278-V1321 VanDerWaalsContact CE3-CG1 3.46Å; W1278-V1321 HydrophobicContact CZ3-CG1 3.75Å; T1280-V1321 HydrophobicContact CG2-CG2 4.36Å; R1319-V1321 PolarHBondContact O-N 3.41Å; V1321-E1372 HydrophobicContact CG1-CG 3.89Å
1322	S	71.5	Confident	52.9	Low	23 Å²	23	70 Å²	70	16%	0.161	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	143.8	167.1	59.3	0	0	0	0	109.7	S1279 N1320	S1279-S1322 WeakPolarHBondContact CB-OG 3.36Å; S1279-S1322 PolarHBondContact N-O 3.43Å; S1279-S1322 PolarHBondContact O-N 3.28Å; S1279-S1322 PolarHBondContact O-OG 2.89Å; S1279-S1322 VanDerWaalsContact O-OG 3.05Å; S1279-S1322 PolarHBondContact OG-OG 3.11Å; N1320-S1322 PolarHBondContact O-N 2.96Å
1323	C	78.2	Confident	54.5	Low	0 Å²	0	68 Å²	68	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.7	167.6	-167.6	0	0	0	0	107.7	I1276 W1278 L1355 C1360	I1276-C1323 WeakPolarHBondContact CG2-SG 3.13Å; W1278-C1323 HydrophobicContact CE3-CB 4.02Å; W1278-C1323 HydrophobicContact CZ3-CB 3.93Å; C1323-L1355 HydrophobicContact CB-CB 4.1Å; C1323-L1355 PolarHBondContact O-N 2.88Å; C1323-C1360 HydrophobicContact CB-CB 3.62Å; C1323-C1360 WeakPolarHBondContact CB-SG 3.36Å; C1323-C1360 WeakPolarHBondContact SG-CB 3.39Å; C1323-C1360 CovalentContact SG-SG 2.02Å; C1323-C1360 PolarHBondContact SG-SG 2.82Å
1324	I	81.4	Confident	56	Low	6 Å²	6	67.7 Å²	67.7	3%	0.031	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	157	-172.9	63.9	166.2	0	0	0	113	N1277 S1279 E1326 R1352 I1353	N1277-I1324 HydrophobicContact CB-CG1 4.21Å; N1277-I1324 PolarHBondContact N-O 2.97Å; N1277-I1324 WeakPolarHBondContact O-CG1 3.06Å; N1277-I1324 PolarHBondContact O-N 3.18Å; S1279-I1324 VanDerWaalsContact CB-CD1 3.44Å; I1324-E1326 HydrophobicContact CD1-CG 3.61Å; I1324-E1326 HydrophobicContact CG1-CG 4.23Å; I1324-R1352 HydrophobicContact CD1-CB 4.31Å; I1324-R1352 VanDerWaalsContact CD1-CD 3.49Å; I1324-R1352 HydrophobicContact CD1-CG 3.89Å; I1324-I1353 CarbonylContact C-O 3.54Å; I1324-I1353 WeakPolarHBondContact CA-O 3.36Å
1325	I	77.6	Confident	58	Low	5 Å²	5	61 Å²	61	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132	162.7	-54.9	174.1	0	0	0	107.9	D1275 L1335 R1352 I1353 L1355	D1275-I1325 HydrophobicContact CB-CG2 4.42Å; D1275-I1325 VanDerWaalsContact O-CA 3.3Å; D1275-I1325 WeakPolarHBondContact O-CA 3.24Å; I1325-L1335 HydrophobicContact CD1-CD1 3.82Å; I1325-R1352 CarbonylContact O-C 3.44Å; I1325-R1352 VanDerWaalsContact O-CA 3.3Å; I1325-R1352 WeakPolarHBondContact O-CA 3.26Å; I1325-I1353 HydrophobicContact CB-CB 4.33Å; I1325-I1353 PolarHBondContact N-O 2.84Å; I1325-I1353 PolarHBondContact O-N 2.91Å; I1325-L1355 HydrophobicContact CD1-CD1 4.04Å; I1325-L1355 HydrophobicContact CD1-CD2 4.42Å; I1325-L1355 HydrophobicContact CD1-CG 4.36Å; I1325-L1355 HydrophobicContact CG1-CD1 3.72Å; I1325-L1355 HydrophobicContact CG1-CG 4.27Å
1326	E	61.3	Low	59.9	Low	81 Å²	81	64.3 Å²	64.3	38%	0.379	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.5	175.9	-59.2	-163.4	105.7	0	0	111.1	N1277 I1324 R1352	N1277-E1326 PolarHBondContact ND2-OE2 2.04Å; N1277-E1326 VanDerWaalsContact ND2-OE2 3.12Å; I1324-E1326 HydrophobicContact CD1-CG 3.61Å; I1324-E1326 HydrophobicContact CG1-CG 4.23Å; E1326-R1352 HydrophobicContact CG-CG 4.27Å; E1326-R1352 IonicContact OE1-CZ 3.91Å; E1326-R1352 IonicContact OE1-NE 2.71Å; E1326-R1352 PolarHBondContact OE1-NE 2.97Å; E1326-R1352 IonicContact OE1-NH2 2.7Å; E1326-R1352 PolarHBondContact OE1-NH2 2.85Å; E1326-R1352 IonicContact OE2-NH2 2.69Å
1327	N	56.2	Low	61.7	Low	124 Å²	124	70 Å²	70	66%	0.663	35%	0.347	S	S	*	.	S	Bend	trans	65.2	153.9	-163.6	-72.1	-30.6	0	0	0	114.8	R1351	N1327-R1351 PolarHBondContact N-O 3.43Å
1328	N	52.1	Low	63.6	Low	83 Å²	83	67.8 Å²	67.8	44%	0.444	34%	0.339	S	S	.	.	S	Bend	trans	-115.9	-1.5	-154.3	-149.1	30.5	0	0	0	114.3
1329	D	55.6	Low	65.4	Low	136 Å²	136	66.1 Å²	66.1	73%	0.727	34%	0.335	S	S	*	.	S	Bend	trans	-104	-16.2	-158.5	-56	-41.2	0	0	0	115.2
1330	N	51.5	Low	66.5	Low	151 Å²	151	65.8 Å²	65.8	81%	0.807	34%	0.34	S	S	*	.			trans	-152.8	50.1	-173.5	-78.5	-76.1	0	0	0	114.9
1331	Y	58.8	Low	66.6	Low	95 Å²	95	67 Å²	67	37%	0.373	35%	0.35	S	S	.	.			trans	-80.9	150.3	176	69.5	-93.5	0	0	0	113.3	N1333 I1353	Y1331-N1333 PolarHBondContact O-N 2.96Å; Y1331-I1353 HydrophobicContact CD1-CD1 4.09Å; Y1331-I1353 HydrophobicContact CE1-CD1 4.23Å
1332	H	66.4	Low	66.2	Low	61 Å²	61	72.9 Å²	72.9	28%	0.282	38%	0.382	S	S	.	.			trans	-80.1	116.3	-174.6	-144.6	-81.1	0	0	0	111.6	C1272 S1334 L1335	C1272-H1332 HydrophobicContact CB-CB 4.19Å; H1332-S1334 PolarHBondContact ND1-OG 3.27Å; H1332-S1334 PolarHBondContact O-N 3.01Å; H1332-L1335 HydrophobicContact CB-CD1 4.41Å; H1332-L1335 HydrophobicContact CB-CG 4.46Å; H1332-L1335 WeakPolarHBondContact O-CB 3.41Å; H1332-L1335 WeakPolarHBondContact O-CG 3.42Å; H1332-L1335 PolarHBondContact O-N 2.96Å
1333	N	68.5	Low	64.7	Low	120 Å²	120	78.2 Å²	78.2	64%	0.642	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-50.1	-27.4	-178.2	-82.9	-28.7	0	0	0	115.2	Y1331 L1335 N1336	Y1331-N1333 PolarHBondContact O-N 2.96Å; N1333-L1335 PolarHBondContact O-N 3.49Å; N1333-L1335 VanDerWaalsContact O-N 3.13Å; N1333-N1336 WeakPolarHBondContact O-CB 3.13Å; N1333-N1336 PolarHBondContact O-N 2.9Å; N1333-N1336 VanDerWaalsContact O-N 3.14Å; N1333-N1336 PolarHBondContact O-ND2 3.08Å; N1333-N1336 PolarHBondContact O-OD1 3.43Å
1334	S	68.7	Low	62.7	Low	47 Å²	47	84.6 Å²	84.6	33%	0.329	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-56.8	-23.3	174.4	-42.1	0	0	0	0	114	C1190 H1332 N1336	C1190-S1334 WeakPolarHBondContact O-CB 3.32Å; C1190-S1334 PolarHBondContact O-OG 3.05Å; H1332-S1334 PolarHBondContact ND1-OG 3.27Å; H1332-S1334 PolarHBondContact O-N 3.01Å; S1334-N1336 VanDerWaalsContact C-N 3.3Å
1335	L	73.9	Confident	60.4	Low	0 Å²	0	90.4 Å²	90.4	0%	0	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-79.2	-9.7	-179.3	-61.6	177.5	0	0	0	113.4	C1190 C1272 I1276 I1325 H1332 N1333 K1337 Y1338 L1355 F1359	C1190-L1335 VanDerWaalsContact SG-CD2 3.57Å; C1272-L1335 HydrophobicContact CB-CD1 4.36Å; I1276-L1335 HydrophobicContact CD1-CD1 4.07Å; I1276-L1335 HydrophobicContact CD1-CD2 4.08Å; I1276-L1335 HydrophobicContact CG1-CD1 4.26Å; I1325-L1335 HydrophobicContact CD1-CD1 3.82Å; H1332-L1335 HydrophobicContact CB-CD1 4.41Å; H1332-L1335 HydrophobicContact CB-CG 4.46Å; H1332-L1335 WeakPolarHBondContact O-CB 3.41Å; H1332-L1335 WeakPolarHBondContact O-CG 3.42Å; H1332-L1335 PolarHBondContact O-N 2.96Å; N1333-L1335 PolarHBondContact O-N 3.49Å; N1333-L1335 VanDerWaalsContact O-N 3.13Å; L1335-K1337 VanDerWaalsContact C-N 3.26Å; L1335-K1337 PolarHBondContact O-N 2.72Å; L1335-K1337 VanDerWaalsContact O-N 3.16Å; L1335-Y1338 HydrophobicContact CD2-CD2 4.49Å; L1335-Y1338 WeakPolarHBondContact O-CA 3.26Å; L1335-Y1338 WeakPolarHBondContact O-CB 3.38Å; L1335-Y1338 PolarHBondContact O-N 3.32Å; L1335-L1355 HydrophobicContact CB-CD2 4.35Å; L1335-F1359 HydrophobicContact CD2-CE1 4Å; L1335-F1359 HydrophobicContact CD2-CE2 4.18Å; L1335-F1359 HydrophobicContact CD2-CZ 3.39Å
1336	N	73.3	Confident	58.2	Low	78 Å²	78	95.6 Å²	95.6	42%	0.417	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-60.5	-30.7	-172.9	-67.9	-3.5	0	0	0	113.6	N1333 S1334 Y1338	N1333-N1336 WeakPolarHBondContact O-CB 3.13Å; N1333-N1336 PolarHBondContact O-N 2.9Å; N1333-N1336 VanDerWaalsContact O-N 3.14Å; N1333-N1336 PolarHBondContact O-ND2 3.08Å; N1333-N1336 PolarHBondContact O-OD1 3.43Å; S1334-N1336 VanDerWaalsContact C-N 3.3Å; N1336-Y1338 PolarHBondContact O-N 3.47Å; N1336-Y1338 VanDerWaalsContact O-N 3.13Å
1337	K	71.2	Confident	56.8	Low	138 Å²	138	94.4 Å²	94.4	60%	0.6	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-69.9	-1	173.4	68.6	170.1	-74.5	-166.4	0	114.2	D1192 L1335	D1192-K1337 IonicContact OD2-NZ 3.14Å; D1192-K1337 PolarHBondContact OD2-NZ 3.2Å; L1335-K1337 VanDerWaalsContact C-N 3.26Å; L1335-K1337 PolarHBondContact O-N 2.72Å; L1335-K1337 VanDerWaalsContact O-N 3.16Å
1338	Y	76.2	Confident	55.7	Low	22 Å²	22	99.1 Å²	99.1	9%	0.086	53%	0.53	C	S	.	.	G	3₁₀ helix	trans	-124.8	1.6	-174.7	-56.5	-59.8	0	0	0	113.8	D1192 L1335 N1336 L1355 N1356 F1359	D1192-Y1338 VanDerWaalsContact CG-OH 3.3Å; D1192-Y1338 PolarHBondContact OD1-OH 2.94Å; D1192-Y1338 PolarHBondContact OD2-OH 2.94Å; L1335-Y1338 HydrophobicContact CD2-CD2 4.49Å; L1335-Y1338 WeakPolarHBondContact O-CA 3.26Å; L1335-Y1338 WeakPolarHBondContact O-CB 3.38Å; L1335-Y1338 PolarHBondContact O-N 3.32Å; N1336-Y1338 PolarHBondContact O-N 3.47Å; N1336-Y1338 VanDerWaalsContact O-N 3.13Å; Y1338-L1355 CarbonylContact O-C 3.49Å; Y1338-L1355 WeakPolarHBondContact O-CA 3.31Å; Y1338-N1356 VanDerWaalsContact O-CB 3.31Å; Y1338-N1356 WeakPolarHBondContact O-CB 3.37Å; Y1338-N1356 PolarHBondContact O-N 3.05Å; Y1338-F1359 HydrophobicContact CD1-CB 3.48Å; Y1338-F1359 VanDerWaalsContact CD1-CB 3.48Å; Y1338-F1359 AromaticContact CD1-CD2 3.55Å; Y1338-F1359 HydrophobicContact CD1-CD2 3.55Å; Y1338-F1359 HydrophobicContact CD1-CE2 4.42Å; Y1338-F1359 AromaticContact CD1-CG 3.62Å; Y1338-F1359 HydrophobicContact CD1-CG 3.62Å; Y1338-F1359 HydrophobicContact CD2-CD1 4.37Å; Y1338-F1359 AromaticContact CD2-CD2 3.32Å; Y1338-F1359 HydrophobicContact CD2-CD2 3.32Å; Y1338-F1359 HydrophobicContact CD2-CE1 4.42Å; Y1338-F1359 AromaticContact CD2-CE2 3.33Å; Y1338-F1359 HydrophobicContact CD2-CE2 3.33Å; Y1338-F1359 AromaticContact CD2-CG 3.87Å; Y1338-F1359 HydrophobicContact CD2-CG 3.87Å; Y1338-F1359 AromaticContact CD2-CZ 3.94Å; Y1338-F1359 HydrophobicContact CD2-CZ 3.94Å; Y1338-F1359 HydrophobicContact CE1-CB 3.91Å; Y1338-F1359 AromaticContact CE1-CD2 3.53Å; Y1338-F1359 HydrophobicContact CE1-CD2 3.53Å; Y1338-F1359 HydrophobicContact CE1-CE2 4.39Å; Y1338-F1359 HydrophobicContact CE1-CG 4.02Å; Y1338-F1359 AromaticContact CE2-CD2 3.34Å; Y1338-F1359 HydrophobicContact CE2-CD2 3.34Å; Y1338-F1359 AromaticContact CE2-CE2 3.34Å; Y1338-F1359 HydrophobicContact CE2-CE2 3.34Å; Y1338-F1359 HydrophobicContact CE2-CG 4.29Å; Y1338-F1359 HydrophobicContact CE2-CZ 4.33Å; Y1338-F1359 HydrophobicContact CG-CB 3.86Å; Y1338-F1359 HydrophobicContact CG-CD1 4.06Å; Y1338-F1359 AromaticContact CG-CD2 3.41Å; Y1338-F1359 HydrophobicContact CG-CD2 3.41Å; Y1338-F1359 VanDerWaalsContact CG-CD2 3.41Å; Y1338-F1359 AromaticContact CG-CE2 3.89Å; Y1338-F1359 HydrophobicContact CG-CE2 3.89Å; Y1338-F1359 AromaticContact CG-CG 3.5Å; Y1338-F1359 HydrophobicContact CG-CG 3.5Å; Y1338-F1359 VanDerWaalsContact CG-CG 3.5Å; Y1338-F1359 HydrophobicContact CG-CZ 4.44Å; Y1338-F1359 AromaticContact CZ-CD2 3.41Å; Y1338-F1359 VanDerWaalsContact CZ-CD2 3.41Å; Y1338-F1359 AromaticContact CZ-CE2 3.88Å
1339	I	74.5	Confident	54.9	Low	51 Å²	51	104.2 Å²	104.2	26%	0.262	55%	0.548	S	S	.	.	B	Isolated β-bridge	trans	-77.3	138.9	177.7	-62.3	175.1	0	0	0	110	I1353 L1355	I1339-I1353 HydrophobicContact CD1-CG2 4.45Å; I1339-I1353 HydrophobicContact CG1-CG2 4.47Å; I1339-I1353 HydrophobicContact CG2-CG2 4.05Å; I1339-L1355 HydrophobicContact CG1-CD2 4.17Å
1340	V	68	Low	54.1	Low	57 Å²	57	104.1 Å²	104.1	35%	0.345	55%	0.545	S	S	.	.			trans	-85.4	116.9	175.8	-177.1	0	0	0	0	109.3	D1342 Q1354 N1356	V1340-D1342 HydrophobicContact CG1-CB 4.32Å; V1340-D1342 PolarHBondContact O-N 2.6Å; V1340-D1342 VanDerWaalsContact O-N 3.12Å; V1340-Q1354 HydrophobicContact CB-CB 4.48Å; V1340-Q1354 HydrophobicContact CB-CG 4.42Å; V1340-Q1354 HydrophobicContact CG2-CG 4.21Å; V1340-Q1354 PolarHBondContact N-O 3.44Å; V1340-N1356 HydrophobicContact CG2-CB 4.48Å
1341	T	52.9	Low	54.3	Low	117 Å²	117	105.6 Å²	105.6	72%	0.718	54%	0.539	S	S	*	.			trans	-79	10.5	-166	46.2	0	0	0	0	115.9
1342	D	52.7	Low	54.4	Low	136 Å²	136	107.6 Å²	107.6	73%	0.727	55%	0.546	S	S	*	.	S	Bend	trans	-112.5	20.1	-156.3	-148.1	40.6	0	0	0	114.9	V1340	V1340-D1342 HydrophobicContact CG1-CB 4.32Å; V1340-D1342 PolarHBondContact O-N 2.6Å; V1340-D1342 VanDerWaalsContact O-N 3.12Å
1343	Q	40.3	Very low	54.7	Low	135 Å²	135	106.3 Å²	106.3	63%	0.631	54%	0.541	S	S	*	.			trans	-131.8	20.5	178.5	-67.2	-172.1	6.3	0	0	114	T1345	Q1343-T1345 PolarHBondContact O-N 3.25Å; Q1343-T1345 VanDerWaalsContact O-N 3.11Å
1344	L	36.5	Very low	54.9	Low	133 Å²	133	103.2 Å²	103.2	70%	0.696	52%	0.523	S	S	*	.			trans	-78.3	15.7	-176	-77.9	161.7	0	0	0	114.8
1345	T	32.6	Very low	55.4	Low	129 Å²	129	101 Å²	101	79%	0.791	51%	0.507	S	S	*	.			trans	-139.2	58.9	-163.4	60.1	0	0	0	0	115.5	Q1343	Q1343-T1345 PolarHBondContact O-N 3.25Å; Q1343-T1345 VanDerWaalsContact O-N 3.11Å
1346	S	31.6	Very low	55.7	Low	114 Å²	114	104.1 Å²	104.1	80%	0.797	52%	0.524	S	S	*	.			trans	-167.8	156.3	144.7	-162.7	0	0	0	0	111.1
1347	G	31.2	Very low	55.8	Low	56 Å²	56	102.3 Å²	102.3	58%	0.577	51%	0.514	S	S	*	.	S	Bend	trans	-84.1	158.7	-179.9	0	0	0	0	0	114.2
1348	Y	32.9	Very low	56.1	Low	223 Å²	223	101.1 Å²	101.1	88%	0.875	51%	0.514	S	S	*	.	S	Bend	trans	71.2	136.3	-175.9	-58	-93.5	0	0	0	115
1349	F	35.7	Very low	56.3	Low	190 Å²	190	100.4 Å²	100.4	83%	0.833	51%	0.511	S	S	*	.			trans	71.6	42.5	178.5	-65.8	-85	0	0	0	119.5	R1351	F1349-R1351 PolarHBondContact O-N 2.88Å; F1349-R1351 VanDerWaalsContact O-N 3.15Å
1350	M	39.7	Very low	56.5	Low	133 Å²	133	98 Å²	98	66%	0.655	50%	0.499	S	S	*	.			trans	-70.7	104.4	155.8	-77.5	-169.7	175.4	0	0	111
1351	R	55.5	Low	57	Low	182 Å²	182	97.5 Å²	97.5	69%	0.687	49%	0.491	S	S	*	.			trans	-137.9	-4.6	168.2	-78.1	-168.6	175.2	-175.7	-1.4	114.7	N1327 F1349	N1327-R1351 PolarHBondContact N-O 3.43Å; F1349-R1351 PolarHBondContact O-N 2.88Å; F1349-R1351 VanDerWaalsContact O-N 3.15Å
1352	R	61.2	Low	57.9	Low	137 Å²	137	96.8 Å²	96.8	52%	0.517	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	128.7	-174.9	-64.4	-175	157.7	-164.1	-8.4	110.1	S1279 I1324 I1325 E1326	S1279-R1352 PolarHBondContact OG-NH1 2.69Å; S1279-R1352 VanDerWaalsContact OG-NH1 3.17Å; I1324-R1352 HydrophobicContact CD1-CB 4.31Å; I1324-R1352 VanDerWaalsContact CD1-CD 3.49Å; I1324-R1352 HydrophobicContact CD1-CG 3.89Å; I1325-R1352 CarbonylContact O-C 3.44Å; I1325-R1352 VanDerWaalsContact O-CA 3.3Å; I1325-R1352 WeakPolarHBondContact O-CA 3.26Å; E1326-R1352 HydrophobicContact CG-CG 4.27Å; E1326-R1352 IonicContact OE1-CZ 3.91Å; E1326-R1352 IonicContact OE1-NE 2.71Å; E1326-R1352 PolarHBondContact OE1-NE 2.97Å; E1326-R1352 IonicContact OE1-NH2 2.7Å; E1326-R1352 PolarHBondContact OE1-NH2 2.85Å; E1326-R1352 IonicContact OE2-NH2 2.69Å
1353	I	71.2	Confident	58.9	Low	35 Å²	35	90.3 Å²	90.3	18%	0.179	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.1	174.1	-57.7	172.6	0	0	0	108.2	I1324 I1325 Y1331 I1339	I1324-I1353 CarbonylContact C-O 3.54Å; I1324-I1353 WeakPolarHBondContact CA-O 3.36Å; I1325-I1353 HydrophobicContact CB-CB 4.33Å; I1325-I1353 PolarHBondContact N-O 2.84Å; I1325-I1353 PolarHBondContact O-N 2.91Å; Y1331-I1353 HydrophobicContact CD1-CD1 4.09Å; Y1331-I1353 HydrophobicContact CE1-CD1 4.23Å; I1339-I1353 HydrophobicContact CD1-CG2 4.45Å; I1339-I1353 HydrophobicContact CG1-CG2 4.47Å; I1339-I1353 HydrophobicContact CG2-CG2 4.05Å
1354	Q	73.2	Confident	60.3	Low	55 Å²	55	84.9 Å²	84.9	26%	0.257	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131.9	-177.1	-171.6	171.3	-27.2	0	0	113.1	V1340	V1340-Q1354 HydrophobicContact CB-CB 4.48Å; V1340-Q1354 HydrophobicContact CB-CG 4.42Å; V1340-Q1354 HydrophobicContact CG2-CG 4.21Å; V1340-Q1354 PolarHBondContact N-O 3.44Å
1355	L	80	Confident	61.6	Low	0 Å²	0	86.6 Å²	86.6	0%	0	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	154.6	175.3	-70.6	165.2	0	0	0	111.8	I1276 C1323 I1325 L1335 Y1338 I1339 L1357 F1359	I1276-L1355 HydrophobicContact CB-CD1 4.45Å; I1276-L1355 HydrophobicContact CD1-CD1 4.46Å; I1276-L1355 HydrophobicContact CG1-CD1 3.91Å; I1276-L1355 HydrophobicContact CG2-CD1 3.88Å; C1323-L1355 HydrophobicContact CB-CB 4.1Å; C1323-L1355 PolarHBondContact O-N 2.88Å; I1325-L1355 HydrophobicContact CD1-CD1 4.04Å; I1325-L1355 HydrophobicContact CD1-CD2 4.42Å; I1325-L1355 HydrophobicContact CD1-CG 4.36Å; I1325-L1355 HydrophobicContact CG1-CD1 3.72Å; I1325-L1355 HydrophobicContact CG1-CG 4.27Å; L1335-L1355 HydrophobicContact CB-CD2 4.35Å; Y1338-L1355 CarbonylContact O-C 3.49Å; Y1338-L1355 WeakPolarHBondContact O-CA 3.31Å; I1339-L1355 HydrophobicContact CG1-CD2 4.17Å; L1355-L1357 PolarHBondContact O-N 2.94Å; L1355-F1359 HydrophobicContact CB-CD1 4.48Å; L1355-F1359 HydrophobicContact CD1-CE1 4.16Å; L1355-F1359 HydrophobicContact CD2-CE1 4.5Å
1356	N	79.3	Confident	63.2	Low	66 Å²	66	85.2 Å²	85.2	35%	0.353	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-64	122.4	179.5	-176.8	-34.2	0	0	0	110.3	Y1338 V1340 N1358 F1359 C1360	Y1338-N1356 VanDerWaalsContact O-CB 3.31Å; Y1338-N1356 WeakPolarHBondContact O-CB 3.37Å; Y1338-N1356 PolarHBondContact O-N 3.05Å; V1340-N1356 HydrophobicContact CG2-CB 4.48Å; N1356-N1358 PolarHBondContact O-N 3.25Å; N1356-N1358 WeakPolarHBondContact OD1-CB 3Å; N1356-N1358 PolarHBondContact OD1-N 3.31Å; N1356-F1359 HydrophobicContact CB-CB 4.37Å; N1356-F1359 WeakPolarHBondContact O-CB 3.09Å; N1356-F1359 PolarHBondContact O-N 3.22Å; N1356-C1360 PolarHBondContact O-N 2.86Å
1357	L	75.7	Confident	64.7	Low	40 Å²	40	82.1 Å²	82.1	21%	0.209	40%	0.4	C	S	.	.	H	α-helix	trans	-55.5	-36.6	-178.6	-97.8	65.8	0	0	0	112.7	L1355 F1359 C1360 R1361	L1355-L1357 PolarHBondContact O-N 2.94Å; L1357-F1359 VanDerWaalsContact C-N 3.28Å; L1357-F1359 PolarHBondContact O-N 2.72Å; L1357-C1360 PolarHBondContact O-N 2.97Å; L1357-R1361 VanDerWaalsContact O-CB 3.28Å; L1357-R1361 WeakPolarHBondContact O-CB 3.49Å; L1357-R1361 VanDerWaalsContact O-CG 3.27Å; L1357-R1361 WeakPolarHBondContact O-CG 3.08Å; L1357-R1361 PolarHBondContact O-N 2.02Å
1358	N	76.7	Confident	66.5	Low	113 Å²	113	81.4 Å²	81.4	60%	0.604	38%	0.381	S	S	*	.	H	α-helix	trans	-68.4	-29.8	-178.3	-65.1	-20.6	0	0	0	112	N1356 K1362	N1356-N1358 PolarHBondContact O-N 3.25Å; N1356-N1358 WeakPolarHBondContact OD1-CB 3Å; N1356-N1358 PolarHBondContact OD1-N 3.31Å; N1358-K1362 VanDerWaalsContact O-CB 3.29Å; N1358-K1362 WeakPolarHBondContact O-CB 3.47Å; N1358-K1362 PolarHBondContact O-N 2.95Å
1359	F	81.2	Confident	68.3	Low	6 Å²	6	71.1 Å²	71.1	3%	0.026	34%	0.341	C	S	.	.	H	α-helix	trans	-68.8	-50.2	172.4	158	-99.8	0	0	0	111.2	F1267 L1269 I1276 L1335 Y1338 L1355 N1356 L1357 R1361 K1362 A1363	F1267-F1359 AromaticContact CE2-CD2 3.61Å; F1267-F1359 HydrophobicContact CE2-CD2 3.61Å; F1267-F1359 AromaticContact CE2-CE2 3.49Å; F1267-F1359 HydrophobicContact CE2-CE2 3.49Å; F1267-F1359 VanDerWaalsContact CE2-CE2 3.49Å; F1267-F1359 AromaticContact CZ-CD2 3.61Å; F1267-F1359 HydrophobicContact CZ-CD2 3.61Å; F1267-F1359 AromaticContact CZ-CE2 3.31Å; F1267-F1359 HydrophobicContact CZ-CE2 3.31Å; F1267-F1359 HydrophobicContact CZ-CZ 4.2Å; L1269-F1359 HydrophobicContact CD1-CZ 4.48Å; L1269-F1359 HydrophobicContact CD2-CE2 3.94Å; L1269-F1359 HydrophobicContact CD2-CZ 3.61Å; I1276-F1359 HydrophobicContact CD1-CE1 4.18Å; I1276-F1359 HydrophobicContact CD1-CZ 4.19Å; L1335-F1359 HydrophobicContact CD2-CE1 4Å; L1335-F1359 HydrophobicContact CD2-CE2 4.18Å; L1335-F1359 HydrophobicContact CD2-CZ 3.39Å; Y1338-F1359 HydrophobicContact CD1-CB 3.48Å; Y1338-F1359 VanDerWaalsContact CD1-CB 3.48Å; Y1338-F1359 AromaticContact CD1-CD2 3.55Å; Y1338-F1359 HydrophobicContact CD1-CD2 3.55Å; Y1338-F1359 HydrophobicContact CD1-CE2 4.42Å; Y1338-F1359 AromaticContact CD1-CG 3.62Å; Y1338-F1359 HydrophobicContact CD1-CG 3.62Å; Y1338-F1359 HydrophobicContact CD2-CD1 4.37Å; Y1338-F1359 AromaticContact CD2-CD2 3.32Å; Y1338-F1359 HydrophobicContact CD2-CD2 3.32Å; Y1338-F1359 HydrophobicContact CD2-CE1 4.42Å; Y1338-F1359 AromaticContact CD2-CE2 3.33Å; Y1338-F1359 HydrophobicContact CD2-CE2 3.33Å; Y1338-F1359 AromaticContact CD2-CG 3.87Å; Y1338-F1359 HydrophobicContact CD2-CG 3.87Å; Y1338-F1359 AromaticContact CD2-CZ 3.94Å; Y1338-F1359 HydrophobicContact CD2-CZ 3.94Å; Y1338-F1359 HydrophobicContact CE1-CB 3.91Å; Y1338-F1359 AromaticContact CE1-CD2 3.53Å; Y1338-F1359 HydrophobicContact CE1-CD2 3.53Å; Y1338-F1359 HydrophobicContact CE1-CE2 4.39Å; Y1338-F1359 HydrophobicContact CE1-CG 4.02Å; Y1338-F1359 AromaticContact CE2-CD2 3.34Å; Y1338-F1359 HydrophobicContact CE2-CD2 3.34Å; Y1338-F1359 AromaticContact CE2-CE2 3.34Å; Y1338-F1359 HydrophobicContact CE2-CE2 3.34Å; Y1338-F1359 HydrophobicContact CE2-CG 4.29Å; Y1338-F1359 HydrophobicContact CE2-CZ 4.33Å; Y1338-F1359 HydrophobicContact CG-CB 3.86Å; Y1338-F1359 HydrophobicContact CG-CD1 4.06Å; Y1338-F1359 AromaticContact CG-CD2 3.41Å; Y1338-F1359 HydrophobicContact CG-CD2 3.41Å; Y1338-F1359 VanDerWaalsContact CG-CD2 3.41Å; Y1338-F1359 AromaticContact CG-CE2 3.89Å; Y1338-F1359 HydrophobicContact CG-CE2 3.89Å; Y1338-F1359 AromaticContact CG-CG 3.5Å; Y1338-F1359 HydrophobicContact CG-CG 3.5Å; Y1338-F1359 VanDerWaalsContact CG-CG 3.5Å; Y1338-F1359 HydrophobicContact CG-CZ 4.44Å; Y1338-F1359 AromaticContact CZ-CD2 3.41Å; Y1338-F1359 VanDerWaalsContact CZ-CD2 3.41Å; Y1338-F1359 AromaticContact CZ-CE2 3.88Å; L1355-F1359 HydrophobicContact CB-CD1 4.48Å; L1355-F1359 HydrophobicContact CD1-CE1 4.16Å; L1355-F1359 HydrophobicContact CD2-CE1 4.5Å; N1356-F1359 HydrophobicContact CB-CB 4.37Å; N1356-F1359 WeakPolarHBondContact O-CB 3.09Å; N1356-F1359 PolarHBondContact O-N 3.22Å; L1357-F1359 VanDerWaalsContact C-N 3.28Å; L1357-F1359 PolarHBondContact O-N 2.72Å; F1359-R1361 VanDerWaalsContact C-N 3.35Å; F1359-R1361 PolarHBondContact O-N 3.25Å; F1359-K1362 PolarHBondContact O-N 3.14Å; F1359-A1363 WeakPolarHBondContact O-CB 3.4Å; F1359-A1363 PolarHBondContact O-N 3.31Å
1360	C	79	Confident	69.7	Low	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-69.1	-32.2	-179.6	-58	0	0	0	0	112.6	W1278 C1323 N1356 L1357 A1363 S1364 L1369	W1278-C1360 HydrophobicContact CH2-CB 3.44Å; W1278-C1360 VanDerWaalsContact CH2-CB 3.44Å; W1278-C1360 HydrophobicContact CZ2-CB 3.82Å; W1278-C1360 HydrophobicContact CZ3-CB 3.82Å; C1323-C1360 HydrophobicContact CB-CB 3.62Å; C1323-C1360 WeakPolarHBondContact CB-SG 3.36Å; C1323-C1360 WeakPolarHBondContact SG-CB 3.39Å; C1323-C1360 CovalentContact SG-SG 2.02Å; C1323-C1360 PolarHBondContact SG-SG 2.82Å; N1356-C1360 PolarHBondContact O-N 2.86Å; L1357-C1360 PolarHBondContact O-N 2.97Å; C1360-A1363 PolarHBondContact O-N 3.38Å; C1360-S1364 WeakPolarHBondContact O-CB 3.42Å; C1360-S1364 PolarHBondContact O-N 2.92Å; C1360-L1369 HydrophobicContact CB-CD2 3.86Å
1361	R	78.4	Confident	70.9	Confident	47 Å²	47	69 Å²	69	18%	0.177	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-50.1	169.4	-79.3	177	175	152	10.1	112.5	W1278 L1357 F1359 A1363 S1364 M1365 E1372 R1376	W1278-R1361 HydrophobicContact CH2-CG 4.28Å; L1357-R1361 VanDerWaalsContact O-CB 3.28Å; L1357-R1361 WeakPolarHBondContact O-CB 3.49Å; L1357-R1361 VanDerWaalsContact O-CG 3.27Å; L1357-R1361 WeakPolarHBondContact O-CG 3.08Å; L1357-R1361 PolarHBondContact O-N 2.02Å; F1359-R1361 VanDerWaalsContact C-N 3.35Å; F1359-R1361 PolarHBondContact O-N 3.25Å; R1361-A1363 VanDerWaalsContact C-N 3.27Å; R1361-A1363 PolarHBondContact O-N 2.81Å; R1361-S1364 PolarHBondContact O-N 2.82Å; R1361-M1365 WeakPolarHBondContact O-CG 2.99Å; R1361-M1365 PolarHBondContact O-N 3.01Å; R1361-E1372 VanDerWaalsContact CG-OE2 3.22Å; R1361-E1372 WeakPolarHBondContact CG-OE2 3.3Å; R1361-E1372 IonicContact CZ-OE1 3.15Å; R1361-E1372 IonicContact CZ-OE2 2.72Å; R1361-E1372 IonicContact NE-OE1 3.52Å; R1361-E1372 PolarHBondContact NE-OE1 2.02Å; R1361-E1372 IonicContact NE-OE2 3.92Å; R1361-E1372 PolarHBondContact NE-OE2 2.92Å; R1361-E1372 IonicContact NH2-OE1 2.73Å; R1361-E1372 PolarHBondContact NH2-OE1 3.14Å; R1361-E1372 IonicContact NH2-OE2 3.36Å; R1361-R1376 VanDerWaalsContact NH2-NH2 3.15Å
1362	K	70.9	Confident	71.4	Confident	103 Å²	103	62.4 Å²	62.4	45%	0.448	31%	0.311	S	S	.	.	H	α-helix	trans	-59.1	-40.5	176.5	-172.3	-175	178	-166.8	0	111.1	D1192 N1358 F1359 L1366	D1192-K1362 IonicContact OD1-NZ 3.95Å; N1358-K1362 VanDerWaalsContact O-CB 3.29Å; N1358-K1362 WeakPolarHBondContact O-CB 3.47Å; N1358-K1362 PolarHBondContact O-N 2.95Å; F1359-K1362 PolarHBondContact O-N 3.14Å; K1362-L1366 HydrophobicContact CG-CD1 4.31Å; K1362-L1366 WeakPolarHBondContact O-CD1 3.31Å; K1362-L1366 VanDerWaalsContact O-CG 3.24Å; K1362-L1366 WeakPolarHBondContact O-CG 3Å; K1362-L1366 PolarHBondContact O-N 3.42Å
1363	A	73.4	Confident	71.3	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.7	-42.7	175.4	0	0	0	0	0	113.4	F1267 L1269 F1359 C1360 R1361 L1366 G1367 E1368 L1369	F1267-A1363 HydrophobicContact CE1-CB 3.57Å; F1267-A1363 HydrophobicContact CZ-CB 3.9Å; L1269-A1363 HydrophobicContact CD1-CB 3.47Å; L1269-A1363 VanDerWaalsContact CD1-CB 3.47Å; L1269-A1363 HydrophobicContact CG-CB 4.26Å; F1359-A1363 WeakPolarHBondContact O-CB 3.4Å; F1359-A1363 PolarHBondContact O-N 3.31Å; C1360-A1363 PolarHBondContact O-N 3.38Å; R1361-A1363 VanDerWaalsContact C-N 3.27Å; R1361-A1363 PolarHBondContact O-N 2.81Å; A1363-L1366 PolarHBondContact O-N 2.93Å; A1363-G1367 PolarHBondContact O-N 3.35Å; A1363-E1368 HydrophobicContact CB-CB 4.46Å; A1363-E1368 PolarHBondContact O-N 2.64Å; A1363-L1369 HydrophobicContact CB-CB 3.93Å; A1363-L1369 PolarHBondContact O-N 2.94Å
1364	S	70.6	Confident	70.1	Confident	20 Å²	20	64.1 Å²	64.1	14%	0.14	32%	0.322	C	S	.	.	H	α-helix	trans	-63.1	-46.4	177.6	-169	0	0	0	0	111.4	C1360 R1361 L1366 G1367 M1370 E1371 E1372	C1360-S1364 WeakPolarHBondContact O-CB 3.42Å; C1360-S1364 PolarHBondContact O-N 2.92Å; R1361-S1364 PolarHBondContact O-N 2.82Å; S1364-L1366 PolarHBondContact O-N 3.27Å; S1364-G1367 PolarHBondContact O-N 3.45Å; S1364-M1370 WeakPolarHBondContact CB-O 3.38Å; S1364-M1370 PolarHBondContact OG-O 3.26Å; S1364-E1371 WeakPolarHBondContact OG-CA 3.06Å; S1364-E1372 PolarHBondContact OG-N 3.34Å; S1364-E1372 VanDerWaalsContact OG-N 3.12Å
1365	M	63.2	Low	68.6	Low	169 Å²	169	62 Å²	62	83%	0.833	31%	0.314	S	S	*	.	H	α-helix	trans	-62	-22.6	173.7	-71.6	-179.7	172.4	0	0	114.2	R1361	R1361-M1365 WeakPolarHBondContact O-CG 2.99Å; R1361-M1365 PolarHBondContact O-N 3.01Å
1366	L	66.7	Low	66.7	Low	101 Å²	101	68 Å²	68	53%	0.529	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-2.1	175.3	-71.2	169.5	0	0	0	113.3	F1267 K1362 A1363 S1364 E1368	F1267-L1366 HydrophobicContact CB-CD1 4.08Å; F1267-L1366 HydrophobicContact CD1-CD1 3.72Å; F1267-L1366 HydrophobicContact CG-CD1 4.19Å; K1362-L1366 HydrophobicContact CG-CD1 4.31Å; K1362-L1366 WeakPolarHBondContact O-CD1 3.31Å; K1362-L1366 VanDerWaalsContact O-CG 3.24Å; K1362-L1366 WeakPolarHBondContact O-CG 3Å; K1362-L1366 PolarHBondContact O-N 3.42Å; A1363-L1366 PolarHBondContact O-N 2.93Å; S1364-L1366 PolarHBondContact O-N 3.27Å; L1366-E1368 HydrophobicContact CB-CG 4.27Å; L1366-E1368 PolarHBondContact O-N 2.95Å
1367	G	63.8	Low	64.5	Low	48 Å²	48	68.8 Å²	68.8	50%	0.495	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	4.5	-173.9	0	0	0	0	0	114.6	R1273 A1363 S1364	R1273-G1367 PolarHBondContact NH1-O 3.22Å; A1363-G1367 PolarHBondContact O-N 3.35Å; S1364-G1367 PolarHBondContact O-N 3.45Å
1368	E	68.6	Low	62.4	Low	41 Å²	41	67.5 Å²	67.5	19%	0.192	33%	0.334	C	S	.	.	S	Bend	trans	-76.3	-25	178.8	-78.3	-78.3	-175.4	0	0	112.1	S1268 L1269 S1270 R1273 A1363 L1366	S1268-E1368 VanDerWaalsContact CA-CD 3.5Å; S1268-E1368 VanDerWaalsContact CA-OE1 3.25Å; S1268-E1368 WeakPolarHBondContact CA-OE1 3.42Å; S1268-E1368 WeakPolarHBondContact CB-OE1 3.44Å; S1268-E1368 VanDerWaalsContact OG-CD 3.27Å; S1268-E1368 PolarHBondContact OG-OE1 3Å; S1268-E1368 PolarHBondContact OG-OE2 2.91Å; L1269-E1368 HydrophobicContact CB-CB 4.3Å; L1269-E1368 HydrophobicContact CD1-CB 4.43Å; L1269-E1368 HydrophobicContact CG-CB 4.21Å; L1269-E1368 PolarHBondContact N-OE2 2.97Å; S1270-E1368 PolarHBondContact N-OE2 3.28Å; R1273-E1368 VanDerWaalsContact CD-O 3.25Å; R1273-E1368 WeakPolarHBondContact CD-O 3.45Å; R1273-E1368 WeakPolarHBondContact CG-O 3.25Å; R1273-E1368 PolarHBondContact NH1-O 3.03Å; R1273-E1368 VanDerWaalsContact NH1-O 3.07Å; A1363-E1368 HydrophobicContact CB-CB 4.46Å; A1363-E1368 PolarHBondContact O-N 2.64Å; L1366-E1368 HydrophobicContact CB-CG 4.27Å; L1366-E1368 PolarHBondContact O-N 2.95Å
1369	L	70	Confident	60.3	Low	7 Å²	7	64.1 Å²	64.1	4%	0.037	32%	0.318	C	S	.	.	S	Bend	trans	-116.8	171.8	172.1	-150.6	70.8	0	0	0	110.7	L1269 I1276 W1278 C1360 A1363	L1269-L1369 HydrophobicContact CD1-CB 4.34Å; L1269-L1369 HydrophobicContact CD1-CD1 3.73Å; I1276-L1369 HydrophobicContact CB-CD1 3.84Å; I1276-L1369 HydrophobicContact CG2-CD1 3.66Å; I1276-L1369 HydrophobicContact CG2-CD2 4Å; I1276-L1369 HydrophobicContact CG2-CG 4.49Å; W1278-L1369 HydrophobicContact CD2-CD2 4.47Å; W1278-L1369 HydrophobicContact CZ2-CD2 4Å; C1360-L1369 HydrophobicContact CB-CD2 3.86Å; A1363-L1369 HydrophobicContact CB-CB 3.93Å; A1363-L1369 PolarHBondContact O-N 2.94Å
1370	M	66.5	Low	58.1	Low	142 Å²	142	65.7 Å²	65.7	70%	0.7	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-66.1	156.8	165.2	-68.1	179.8	67.6	0	0	110.6	W1278 S1364	W1278-M1370 PolarHBondContact NE1-O 3.27Å; S1364-M1370 WeakPolarHBondContact CB-O 3.38Å; S1364-M1370 PolarHBondContact OG-O 3.26Å
1371	E	63.5	Low	56.5	Low	136 Å²	136	72.6 Å²	72.6	64%	0.636	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-54.7	138.1	173.4	-69.2	-175.2	152.9	0	0	110.8	W1278 S1364 P1373 Y1374	W1278-E1371 PolarHBondContact NE1-O 2.82Å; S1364-E1371 WeakPolarHBondContact OG-CA 3.06Å; E1371-P1373 WeakPolarHBondContact O-CD 3.29Å; E1371-Y1374 PolarHBondContact OE2-OH 2.7Å
1372	E	66	Low	55	Low	45 Å²	45	71 Å²	71	21%	0.21	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-58.4	124.2	174.4	-173.7	-179.3	172.1	0	0	108.7	W1278 V1321 R1361 S1364 Y1374	W1278-E1372 HydrophobicContact CE3-CG 4.45Å; W1278-E1372 HydrophobicContact CH2-CB 4.05Å; W1278-E1372 HydrophobicContact CH2-CG 3.78Å; W1278-E1372 HydrophobicContact CZ2-CB 3.7Å; W1278-E1372 HydrophobicContact CZ2-CG 3.92Å; W1278-E1372 HydrophobicContact CZ3-CG 4.08Å; V1321-E1372 HydrophobicContact CG1-CG 3.89Å; R1361-E1372 VanDerWaalsContact CG-OE2 3.22Å; R1361-E1372 WeakPolarHBondContact CG-OE2 3.3Å; R1361-E1372 IonicContact CZ-OE1 3.15Å; R1361-E1372 IonicContact CZ-OE2 2.72Å; R1361-E1372 IonicContact NE-OE1 3.52Å; R1361-E1372 PolarHBondContact NE-OE1 2.02Å; R1361-E1372 IonicContact NE-OE2 3.92Å; R1361-E1372 PolarHBondContact NE-OE2 2.92Å; R1361-E1372 IonicContact NH2-OE1 2.73Å; R1361-E1372 PolarHBondContact NH2-OE1 3.14Å; R1361-E1372 IonicContact NH2-OE2 3.36Å; S1364-E1372 PolarHBondContact OG-N 3.34Å; S1364-E1372 VanDerWaalsContact OG-N 3.12Å; E1372-Y1374 PolarHBondContact O-N 2.88Å
1373	P	59.6	Low	54	Low	37 Å²	37	69.5 Å²	69.5	24%	0.24	35%	0.35	C	S	.	.			trans	-58.5	106.4	-178.2	-27.1	35.5	0	0	0	110.9	W1278 T1280 E1371 G1375	W1278-P1373 HydrophobicContact CB-CG 3.68Å; W1278-P1373 VanDerWaalsContact CG-CD 3.46Å; W1278-P1373 HydrophobicContact CG-CG 4.09Å; T1280-P1373 HydrophobicContact CG2-CB 3.61Å; T1280-P1373 HydrophobicContact CG2-CG 4Å; E1371-P1373 WeakPolarHBondContact O-CD 3.29Å; P1373-G1375 WeakPolarHBondContact O-CA 3.17Å; P1373-G1375 PolarHBondContact O-N 2.7Å
1374	Y	46.7	Very low	52.8	Low	171 Å²	171	69.7 Å²	69.7	67%	0.671	35%	0.351	S	S	*	.			trans	-40.5	101.2	-175.7	-63.8	-85.8	0	0	0	111.5	R1319 E1371 E1372	R1319-Y1374 PolarHBondContact NE-O 2.95Å; R1319-Y1374 PolarHBondContact NH1-O 2.9Å; R1319-Y1374 VanDerWaalsContact NH1-O 3.14Å; R1319-Y1374 PolarHBondContact NH2-O 3.18Å; E1371-Y1374 PolarHBondContact OE2-OH 2.7Å; E1372-Y1374 PolarHBondContact O-N 2.88Å
1375	G	41	Very low	52.3	Low	9 Å²	9	70.2 Å²	70.2	9%	0.093	35%	0.35	C	S	.	.			trans	-123.8	4.7	-156	0	0	0	0	0	116.7	R1319 P1373	R1319-G1375 WeakPolarHBondContact CG-O 3.27Å; P1373-G1375 WeakPolarHBondContact O-CA 3.17Å; P1373-G1375 PolarHBondContact O-N 2.7Å
1376	R	39.5	Very low	52	Low	127 Å²	127	67.1 Å²	67.1	48%	0.479	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-140.1	112	-161.4	-67.1	172	172.7	-151.4	-19	112.9	D1301 R1361	D1301-R1376 IonicContact OD1-CZ 2.7Å; D1301-R1376 IonicContact OD1-NH1 2.74Å; D1301-R1376 PolarHBondContact OD1-NH1 2.86Å; D1301-R1376 IonicContact OD1-NH2 3.18Å; D1301-R1376 PolarHBondContact OD1-NH2 2.89Å; D1301-R1376 IonicContact OD2-CZ 2.68Å; D1301-R1376 IonicContact OD2-NH1 3.73Å; D1301-R1376 PolarHBondContact OD2-NH1 3.18Å; D1301-R1376 IonicContact OD2-NH2 3.88Å; R1361-R1376 VanDerWaalsContact NH2-NH2 3.15Å
1377	E	33.1	Very low	52	Low	82 Å²	82	63.2 Å²	63.2	38%	0.383	31%	0.308	S	S	.	.			trans	-116.9	163.7	153.2	-66.3	-160.9	109.1	0	0	109.2	L1289	L1289-E1377 HydrophobicContact CD1-CB 4.04Å
1378	A	31.2	Very low	51.9	Low	14 Å²	14	61 Å²	61	12%	0.116	29%	0.285	C	S	.	.			trans	-151	130.5	-148.8	0	0	0	0	0	112.3	L1289 M1293 K1294 C1297	L1289-A1378 WeakPolarHBondContact CB-O 3.1Å; L1289-A1378 VanDerWaalsContact CD1-N 3.31Å; M1293-A1378 CarbonylContact C-O 3.51Å; M1293-A1378 CarbonylContact O-C 3.58Å; K1294-A1378 HydrophobicContact CB-CB 4.43Å; K1294-A1378 HydrophobicContact CG-CB 4.24Å; K1294-A1378 PolarHBondContact N-O 3.4Å; C1297-A1378 HydrophobicContact CB-CB 3.25Å
1379	C	32.7	Very low	51.4	Low	41 Å²	41	64.4 Å²	64.4	28%	0.277	31%	0.305	S	S	.	.				-102.9	133.2	-119.7	-51.5	0	0	0	0	121.6	L1289 M1293 C1297	L1289-C1379 HydrophobicContact CD1-CB 4.16Å; L1289-C1379 HydrophobicContact CD2-CB 4.21Å; M1293-C1379 VanDerWaalsContact CB-O 3.24Å; M1293-C1379 WeakPolarHBondContact CB-O 3.19Å; M1293-C1379 VanDerWaalsContact CG-O 3.25Å; M1293-C1379 WeakPolarHBondContact CG-O 3.25Å; C1297-C1379 VanDerWaalsContact SG-SG 3.7Å
1380	T	36.1	Very low	50.9	Low	39 Å²	39	64.2 Å²	64.2	24%	0.239	30%	0.304	C	S	.	.	S	Bend	trans	-152.4	152.3	156.8	-6.7	0	0	0	0	115.5	D1290 M1293	D1290-T1380 WeakPolarHBondContact OD2-CB 3.13Å; D1290-T1380 PolarHBondContact OD2-OG1 3.26Å; M1293-T1380 WeakPolarHBondContact CB-OG1 3.08Å; M1293-T1380 HydrophobicContact CE-CG2 3.56Å; M1293-T1380 WeakPolarHBondContact CE-OG1 3.26Å; M1293-T1380 HydrophobicContact CG-CG2 3.92Å; M1293-T1380 WeakPolarHBondContact CG-OG1 3.4Å
1381	Q	44.6	Very low	50.5	Low	146 Å²	146	65.9 Å²	65.9	68%	0.682	31%	0.31	S	S	*	.			trans	29.9	63.1	172.7	-63.9	-162.9	18	0	0	116.9	K1383	Q1381-K1383 PolarHBondContact O-N 2.8Å
1382	P	46.5	Very low	50.4	Low	13 Å²	13	61.9 Å²	61.9	8%	0.084	29%	0.292	C	S	.	.			trans	-63.2	128.5	174.5	-17.6	31.7	0	0	0	111.4	L1289 V1316 L1415	L1289-P1382 HydrophobicContact CD2-CG 4.33Å; V1316-P1382 HydrophobicContact CG2-CG 4.16Å; P1382-L1415 HydrophobicContact CB-CD1 4.36Å; P1382-L1415 HydrophobicContact CG-CD1 4.21Å
1383	K	51.5	Low	50.6	Low	71 Å²	71	61.8 Å²	61.8	31%	0.309	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.3	154.9	-68.1	-165.9	-173.7	-172.9	0	108	Q1381 I1413 N1961	Q1381-K1383 PolarHBondContact O-N 2.8Å; K1383-I1413 WeakPolarHBondContact CA-O 3.33Å; K1383-N1961 PolarHBondContact NZ-O 3.41Å
1384	C	46.8	Very low	51.1	Low	5 Å²	5	64.2 Å²	64.2	3%	0.034	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115.5	-171.5	-112.2	0	0	0	0	109.3	C1286 G1315 C1412 I1413	C1286-C1384 HydrophobicContact CB-CB 3.99Å; C1286-C1384 WeakPolarHBondContact CB-SG 3.45Å; C1286-C1384 WeakPolarHBondContact SG-CA 3.39Å; C1286-C1384 WeakPolarHBondContact SG-CB 3.42Å; C1286-C1384 CovalentContact SG-SG 2.02Å; C1286-C1384 PolarHBondContact SG-SG 2.81Å; G1315-C1384 WeakPolarHBondContact CA-SG 3.44Å; C1384-C1412 CarbonylContact O-C 3.56Å; C1384-C1412 VanDerWaalsContact O-CA 3.26Å; C1384-C1412 WeakPolarHBondContact O-CA 3.36Å; C1384-I1413 HydrophobicContact CB-CB 3.66Å; C1384-I1413 HydrophobicContact CB-CD1 4.29Å; C1384-I1413 HydrophobicContact CB-CG1 4.11Å; C1384-I1413 PolarHBondContact N-O 3.27Å; C1384-I1413 PolarHBondContact O-N 2.95Å
1385	Y	60.8	Low	52.2	Low	30 Å²	30	57.2 Å²	57.2	12%	0.118	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	142.9	168.2	-71.6	-89.5	0	0	0	110.1	E1411 C1412 V1436 N1444 N1961	Y1385-E1411 WeakPolarHBondContact CA-O 3.41Å; Y1385-C1412 HydrophobicContact CD1-CB 4.11Å; Y1385-C1412 HydrophobicContact CE1-CB 3.88Å; Y1385-V1436 HydrophobicContact CD1-CG2 4.28Å; Y1385-V1436 HydrophobicContact CE1-CG1 4.42Å; Y1385-V1436 HydrophobicContact CE1-CG2 4.21Å; Y1385-N1444 HydrophobicContact CD1-CB 3.89Å; Y1385-N1444 HydrophobicContact CD2-CB 3.63Å; Y1385-N1444 HydrophobicContact CE1-CB 4.06Å; Y1385-N1444 HydrophobicContact CE2-CB 3.81Å; Y1385-N1444 HydrophobicContact CG-CB 3.67Å; Y1385-N1961 VanDerWaalsContact OH-CB 3.24Å; Y1385-N1961 WeakPolarHBondContact OH-CB 3.49Å
1386	R	57.6	Low	53.6	Low	105 Å²	105	60.6 Å²	60.6	40%	0.396	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	162.7	169.8	70.4	178.5	-173.5	-178	3.3	111	E1411	R1386-E1411 HydrophobicContact CG-CB 3.92Å; R1386-E1411 IonicContact CZ-OE2 3.16Å; R1386-E1411 PolarHBondContact N-O 3.26Å; R1386-E1411 IonicContact NE-OE2 3.18Å; R1386-E1411 PolarHBondContact NE-OE2 3.02Å; R1386-E1411 IonicContact NH2-OE2 2.68Å; R1386-E1411 PolarHBondContact NH2-OE2 2.64Å; R1386-E1411 PolarHBondContact O-N 3.45Å
1387	W	64.9	Low	54.6	Low	18 Å²	18	56.7 Å²	56.7	7%	0.068	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	138.6	164.8	-64	102.4	0	0	0	110.3	I1408 C1441 M1442 L1445 P1449 V1462 I1483	W1387-I1408 HydrophobicContact CE3-CG2 4.21Å; W1387-C1441 HydrophobicContact CE3-CB 4.37Å; W1387-C1441 HydrophobicContact CH2-CB 3.48Å; W1387-C1441 VanDerWaalsContact CH2-CB 3.48Å; W1387-C1441 HydrophobicContact CZ2-CB 3.79Å; W1387-C1441 HydrophobicContact CZ3-CB 3.8Å; W1387-M1442 HydrophobicContact CH2-CG 4.45Å; W1387-M1442 HydrophobicContact CH2-SD 4.25Å; W1387-M1442 HydrophobicContact CZ2-SD 3.94Å; W1387-L1445 VanDerWaalsContact CD1-CD1 3.45Å; W1387-L1445 HydrophobicContact CD2-CD1 4.28Å; W1387-L1445 HydrophobicContact CG-CD1 4.09Å; W1387-L1445 HydrophobicContact CZ2-CD1 4.48Å; W1387-P1449 HydrophobicContact CD2-CB 4.37Å; W1387-P1449 HydrophobicContact CH2-CG 4.24Å; W1387-P1449 HydrophobicContact CZ2-CB 4.11Å; W1387-P1449 HydrophobicContact CZ2-CG 3.64Å; W1387-V1462 HydrophobicContact CB-CB 3.61Å; W1387-V1462 HydrophobicContact CB-CG1 3.63Å; W1387-V1462 HydrophobicContact CB-CG2 4.01Å; W1387-V1462 HydrophobicContact CD2-CG1 4.2Å; W1387-V1462 HydrophobicContact CG-CB 4.05Å; W1387-V1462 HydrophobicContact CG-CG1 3.46Å; W1387-V1462 VanDerWaalsContact CG-CG1 3.46Å; W1387-I1483 HydrophobicContact CH2-CD1 3.97Å; W1387-I1483 HydrophobicContact CH2-CG2 4.14Å; W1387-I1483 HydrophobicContact CZ2-CD1 4.37Å; W1387-I1483 HydrophobicContact CZ3-CG2 3.99Å
1388	G	62.8	Low	56	Low	2 Å²	2	59.7 Å²	59.7	2%	0.021	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-84.8	164.9	175	0	0	0	0	0	113.3	S1409 E1411	G1388-S1409 VanDerWaalsContact CA-O 3.31Å; G1388-S1409 WeakPolarHBondContact CA-O 3.37Å; G1388-S1409 PolarHBondContact N-O 2.89Å; G1388-E1411 VanDerWaalsContact CA-OE1 3.25Å; G1388-E1411 WeakPolarHBondContact CA-OE1 3.42Å
1389	N	57.1	Low	56.9	Low	113 Å²	113	62 Å²	62	60%	0.604	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-84.6	122.7	-172	-64.6	-39.6	0	0	0	113
1390	G	59.6	Low	57.8	Low	3 Å²	3	61.3 Å²	61.3	3%	0.031	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-85.1	143.1	173.7	0	0	0	0	0	114.1	R1407	G1390-R1407 VanDerWaalsContact CA-O 3.22Å; G1390-R1407 WeakPolarHBondContact CA-O 3.41Å
1391	Q	58.2	Low	59.2	Low	176 Å²	176	64.7 Å²	64.7	82%	0.822	35%	0.35	S	S	*	.			trans	-104.7	143.4	175.1	-69.6	-170.3	-4.9	0	0	112.5	T1406	Q1391-T1406 VanDerWaalsContact C-OG1 3.32Å; Q1391-T1406 PolarHBondContact N-OG1 3.3Å; Q1391-T1406 VanDerWaalsContact O-CB 3.24Å; Q1391-T1406 WeakPolarHBondContact O-CB 3.39Å; Q1391-T1406 PolarHBondContact O-OG1 2.81Å
1392	M	61.2	Low	60.3	Low	52 Å²	52	58.3 Å²	58.3	26%	0.256	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-94	143.5	-174.5	-131.7	72.7	78.2	0	0	114.2	K1404 T1406 T1453 I1460 L1489	M1392-K1404 HydrophobicContact CG-CB 4.28Å; M1392-T1406 HydrophobicContact SD-CG2 3.8Å; M1392-T1453 HydrophobicContact CE-CG2 4.49Å; M1392-I1460 HydrophobicContact CE-CD1 3.98Å; M1392-I1460 HydrophobicContact CE-CG1 3.62Å; M1392-I1460 HydrophobicContact SD-CD1 4.02Å; M1392-I1460 HydrophobicContact SD-CG1 4.33Å; M1392-L1489 HydrophobicContact CE-CD1 3.6Å; M1392-L1489 HydrophobicContact CG-CD1 4.17Å; M1392-L1489 HydrophobicContact SD-CD1 3.3Å; M1392-L1489 WeakPolarHBondContact SD-CD1 3.4Å; M1392-L1489 HydrophobicContact SD-CG 4.46Å
1393	S	70.1	Confident	61.5	Low	44 Å²	44	60.3 Å²	60.3	31%	0.308	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-71.7	170.7	172.4	80.3	0	0	0	0	114.2	K1404 Q1405	S1393-K1404 WeakPolarHBondContact O-CD 3.23Å; S1393-K1404 WeakPolarHBondContact OG-CA 3.18Å; S1393-Q1405 PolarHBondContact N-O 2.8Å; S1393-Q1405 PolarHBondContact OG-N 2.89Å
1394	A	70.4	Confident	62.4	Low	87 Å²	87	57.8 Å²	57.8	72%	0.719	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-65.8	161.1	163.9	0	0	0	0	0	112.3	K1404	A1394-K1404 WeakPolarHBondContact O-CG 3.25Å
1395	C	71.3	Confident	63.6	Low	25 Å²	25	62.4 Å²	62.4	17%	0.169	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-74.1	146.1	177.4	-166.8	0	0	0	0	111.8	V1397 K1404 C1491 E1493	C1395-V1397 PolarHBondContact O-N 2.98Å; C1395-K1404 VanDerWaalsContact CA-CE 3.49Å; C1395-K1404 HydrophobicContact CB-CD 4.5Å; C1395-K1404 HydrophobicContact CB-CG 4.36Å; C1395-C1491 WeakPolarHBondContact CA-SG 3.26Å; C1395-C1491 HydrophobicContact CB-CB 4.09Å; C1395-C1491 WeakPolarHBondContact CB-SG 3.39Å; C1395-C1491 WeakPolarHBondContact SG-CB 3.3Å; C1395-C1491 CovalentContact SG-SG 2.03Å; C1395-C1491 PolarHBondContact SG-SG 3.41Å; C1395-E1493 HydrophobicContact CB-CG 3.83Å; C1395-E1493 WeakPolarHBondContact CB-OE1 3.37Å
1396	S	68.9	Low	63.9	Low	79 Å²	79	61.4 Å²	61.4	55%	0.552	34%	0.342	S	S	*	.	S	Bend	trans	-78.1	1.7	177.2	79.2	0	0	0	0	115.2	G1402 V1403	S1396-G1402 VanDerWaalsContact OG-CA 3.25Å; S1396-G1402 WeakPolarHBondContact OG-CA 3.36Å; S1396-V1403 PolarHBondContact N-O 3.35Å; S1396-V1403 PolarHBondContact OG-N 3.18Å
1397	V	61.6	Low	64.4	Low	46 Å²	46	65.6 Å²	65.6	28%	0.279	36%	0.358	S	S	.	.			trans	-138.6	167.5	174.2	-60	0	0	0	0	110.1	C1395 C1399 R1401 E1493	C1395-V1397 PolarHBondContact O-N 2.98Å; V1397-C1399 WeakPolarHBondContact CG2-O 3.09Å; V1397-R1401 WeakPolarHBondContact CG1-O 3.39Å; V1397-E1493 VanDerWaalsContact O-CG 3.29Å; V1397-E1493 WeakPolarHBondContact O-CG 3.49Å
1398	N	62.4	Low	64.5	Low	145 Å²	145	66 Å²	66	78%	0.775	36%	0.361	S	S	*	.	S	Bend	trans	-114.2	-16.2	-179.7	53.7	-13	0	0	0	114
1399	C	50.3	Low	64.6	Low	61 Å²	61	68.1 Å²	68.1	41%	0.412	38%	0.375	S	S	.	.	S	Bend	trans	-146	158.4	162	63.4	0	0	0	0	109.1	V1397 A1494	V1397-C1399 WeakPolarHBondContact CG2-O 3.09Å; C1399-A1494 WeakPolarHBondContact CA-O 3.4Å; C1399-A1494 WeakPolarHBondContact CB-O 3.25Å
1400	G	51.1	Low	65	Low	28 Å²	28	62.7 Å²	62.7	29%	0.289	35%	0.346	S	S	.	.	S	Bend	trans	67.4	-140.6	-176	0	0	0	0	0	112.9	I1492 E1493 A1494	G1400-I1492 CarbonylContact O-C 3.5Å; G1400-I1492 VanDerWaalsContact O-CA 3.22Å; G1400-I1492 WeakPolarHBondContact O-CA 3.38Å; G1400-E1493 PolarHBondContact O-N 3.06Å; G1400-A1494 PolarHBondContact N-O 3.26Å
1401	R	64.9	Low	65.4	Low	110 Å²	110	64.1 Å²	64.1	42%	0.415	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.9	-160.4	-166.2	165.5	-172.5	-98.8	-8.8	114.4	V1397 T1490 C1491 I1492 Y1543	V1397-R1401 WeakPolarHBondContact CG1-O 3.39Å; R1401-T1490 PolarHBondContact NH2-OG1 3.36Å; R1401-C1491 CarbonylContact C-O 3.56Å; R1401-C1491 VanDerWaalsContact CA-O 3.31Å; R1401-C1491 WeakPolarHBondContact CA-O 3.23Å; R1401-C1491 WeakPolarHBondContact CG-O 3.39Å; R1401-I1492 HydrophobicContact CB-CG1 4.48Å; R1401-I1492 HydrophobicContact CG-CG1 4.05Å; R1401-Y1543 PolarHBondContact NH1-OH 2.61Å
1402	G	67.4	Low	65.9	Low	11 Å²	11	56.2 Å²	56.2	11%	0.113	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	-147.9	-176.1	0	0	0	0	0	114	S1396 T1490 C1491	S1396-G1402 VanDerWaalsContact OG-CA 3.25Å; S1396-G1402 WeakPolarHBondContact OG-CA 3.36Å; G1402-T1490 CarbonylContact O-C 3.5Å; G1402-T1490 WeakPolarHBondContact O-CA 3.45Å; G1402-C1491 PolarHBondContact N-O 3.48Å; G1402-C1491 PolarHBondContact O-N 3.45Å
1403	V	72.3	Confident	65.8	Low	56 Å²	56	54.9 Å²	54.9	34%	0.339	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	155.9	179.2	-155.5	0	0	0	0	113.8	S1396 M1488 L1489 C1491	S1396-V1403 PolarHBondContact N-O 3.35Å; S1396-V1403 PolarHBondContact OG-N 3.18Å; V1403-M1488 HydrophobicContact CG1-CE 4.01Å; V1403-L1489 CarbonylContact C-O 3.6Å; V1403-C1491 VanDerWaalsContact CA-SG 3.51Å; V1403-C1491 PolarHBondContact N-SG 2.83Å; V1403-C1491 PolarHBondContact O-SG 2.93Å
1404	K	71.4	Confident	65.1	Low	17 Å²	17	54.5 Å²	54.5	7%	0.074	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	161.2	169.3	-63.3	-178.2	-172.6	156.4	0	110.7	M1392 S1393 A1394 C1395 L1489 C1491 E1493 H1539	M1392-K1404 HydrophobicContact CG-CB 4.28Å; S1393-K1404 WeakPolarHBondContact O-CD 3.23Å; S1393-K1404 WeakPolarHBondContact OG-CA 3.18Å; A1394-K1404 WeakPolarHBondContact O-CG 3.25Å; C1395-K1404 VanDerWaalsContact CA-CE 3.49Å; C1395-K1404 HydrophobicContact CB-CD 4.5Å; C1395-K1404 HydrophobicContact CB-CG 4.36Å; K1404-L1489 PolarHBondContact N-O 3Å; K1404-L1489 PolarHBondContact O-N 3.46Å; K1404-C1491 HydrophobicContact CD-CB 4.12Å; K1404-C1491 HydrophobicContact CG-CB 3.94Å; K1404-E1493 IonicContact NZ-OE1 3.24Å; K1404-E1493 PolarHBondContact NZ-OE1 2.83Å; K1404-H1539 WeakPolarHBondContact CD-CD2 3.43Å; K1404-H1539 PolarHBondContact NZ-CD2 2.79Å; K1404-H1539 PolarHBondContact NZ-NE2 3.02Å
1405	Q	70.8	Confident	63.9	Low	103 Å²	103	51.5 Å²	51.5	48%	0.481	28%	0.276	S	S	.	.			trans	-139.5	164.2	-177.4	65	176.6	-25.8	0	0	113.7	S1393 V1487 M1488	S1393-Q1405 PolarHBondContact N-O 2.8Å; S1393-Q1405 PolarHBondContact OG-N 2.89Å; Q1405-V1487 WeakPolarHBondContact CA-O 3.25Å; Q1405-M1488 HydrophobicContact CB-SD 3.54Å; Q1405-M1488 VanDerWaalsContact CB-SD 3.54Å
1406	T	68.6	Low	62.8	Low	9 Å²	9	54.1 Å²	54.1	6%	0.055	28%	0.284	C	S	.	.			trans	-163	172.9	-177.7	-169.9	0	0	0	0	112.7	Q1391 M1392 I1460 P1486 V1487	Q1391-T1406 VanDerWaalsContact C-OG1 3.32Å; Q1391-T1406 PolarHBondContact N-OG1 3.3Å; Q1391-T1406 VanDerWaalsContact O-CB 3.24Å; Q1391-T1406 WeakPolarHBondContact O-CB 3.39Å; Q1391-T1406 PolarHBondContact O-OG1 2.81Å; M1392-T1406 HydrophobicContact SD-CG2 3.8Å; T1406-I1460 HydrophobicContact CG2-CD1 3.25Å; T1406-I1460 WeakPolarHBondContact OG1-CD1 3.41Å; T1406-P1486 CarbonylContact O-C 3.44Å; T1406-P1486 VanDerWaalsContact O-CA 3.29Å; T1406-P1486 WeakPolarHBondContact O-CA 3.44Å; T1406-V1487 HydrophobicContact CG2-CB 3.55Å; T1406-V1487 HydrophobicContact CG2-CG1 3.73Å; T1406-V1487 WeakPolarHBondContact CG2-O 3.45Å; T1406-V1487 PolarHBondContact N-O 2.98Å; T1406-V1487 PolarHBondContact O-N 3.49Å
1407	R	68.2	Low	61.5	Low	193 Å²	193	53.8 Å²	53.8	73%	0.728	28%	0.276	S	S	*	.			trans	-140.5	154.5	172.1	-77.5	-175.5	173.9	171.8	-3	110.4	G1390	G1390-R1407 VanDerWaalsContact CA-O 3.22Å; G1390-R1407 WeakPolarHBondContact CA-O 3.41Å
1408	I	65.5	Low	60.4	Low	25 Å²	25	57 Å²	57	13%	0.128	29%	0.292	C	S	.	.			trans	-131.3	150	-175.5	-61.4	175.6	0	0	0	108.1	W1387 L1451 I1460 V1462	W1387-I1408 HydrophobicContact CE3-CG2 4.21Å; I1408-L1451 HydrophobicContact CD1-CD1 3.99Å; I1408-L1451 HydrophobicContact CD1-CD2 3.47Å; I1408-L1451 VanDerWaalsContact CD1-CD2 3.47Å; I1408-L1451 HydrophobicContact CD1-CG 4.35Å; I1408-I1460 HydrophobicContact CD1-CD1 4.18Å; I1408-I1460 HydrophobicContact CD1-CG2 3.88Å; I1408-I1460 HydrophobicContact CG1-CD1 4.36Å; I1408-V1462 HydrophobicContact CD1-CG2 4.16Å; I1408-V1462 HydrophobicContact CG2-CG2 4.19Å
1409	S	65.3	Low	58.9	Low	47 Å²	47	57 Å²	57	33%	0.329	29%	0.291	S	S	.	.			trans	-143.6	141	-175.7	53.3	0	0	0	0	111.6	G1388	G1388-S1409 VanDerWaalsContact CA-O 3.31Å; G1388-S1409 WeakPolarHBondContact CA-O 3.37Å; G1388-S1409 PolarHBondContact N-O 2.89Å
1410	C	66.2	Low	57.9	Low	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	150	178.5	-164.4	0	0	0	0	113	I1435 V1436 C1441	C1410-I1435 VanDerWaalsContact O-CA 3.26Å; C1410-I1435 WeakPolarHBondContact O-CA 3.4Å; C1410-V1436 HydrophobicContact CB-CB 4.15Å; C1410-V1436 HydrophobicContact CB-CG2 3.87Å; C1410-V1436 WeakPolarHBondContact CB-O 3.22Å; C1410-V1436 PolarHBondContact O-N 3.41Å; C1410-V1436 VanDerWaalsContact SG-CG2 3.54Å; C1410-C1441 HydrophobicContact CB-CB 3.45Å; C1410-C1441 VanDerWaalsContact CB-CB 3.45Å; C1410-C1441 WeakPolarHBondContact CB-SG 3.27Å; C1410-C1441 VanDerWaalsContact SG-CA 3.51Å; C1410-C1441 WeakPolarHBondContact SG-CB 3.32Å; C1410-C1441 CovalentContact SG-SG 2.01Å; C1410-C1441 PolarHBondContact SG-SG 2.68Å
1411	E	67.6	Low	56.9	Low	33 Å²	33	66 Å²	66	15%	0.154	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.8	176.4	-63.8	178.4	-161	0	0	112.1	Y1385 R1386 G1388 I1433 H1434	Y1385-E1411 WeakPolarHBondContact CA-O 3.41Å; R1386-E1411 HydrophobicContact CG-CB 3.92Å; R1386-E1411 IonicContact CZ-OE2 3.16Å; R1386-E1411 PolarHBondContact N-O 3.26Å; R1386-E1411 IonicContact NE-OE2 3.18Å; R1386-E1411 PolarHBondContact NE-OE2 3.02Å; R1386-E1411 IonicContact NH2-OE2 2.68Å; R1386-E1411 PolarHBondContact NH2-OE2 2.64Å; R1386-E1411 PolarHBondContact O-N 3.45Å; G1388-E1411 VanDerWaalsContact CA-OE1 3.25Å; G1388-E1411 WeakPolarHBondContact CA-OE1 3.42Å; E1411-I1433 HydrophobicContact CB-CG2 4.09Å; E1411-I1433 HydrophobicContact CG-CG2 4.33Å; E1411-H1434 CarbonylContact C-O 3.54Å; E1411-H1434 WeakPolarHBondContact CA-O 3.19Å
1412	C	67.6	Low	55.3	Low	10 Å²	10	65.2 Å²	65.2	7%	0.068	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.4	179.2	172.9	0	0	0	0	111	C1384 Y1385 I1433 H1434 V1436	C1384-C1412 CarbonylContact O-C 3.56Å; C1384-C1412 VanDerWaalsContact O-CA 3.26Å; C1384-C1412 WeakPolarHBondContact O-CA 3.36Å; Y1385-C1412 HydrophobicContact CD1-CB 4.11Å; Y1385-C1412 HydrophobicContact CE1-CB 3.88Å; C1412-I1433 CarbonylContact O-C 3.57Å; C1412-I1433 WeakPolarHBondContact O-CA 3.43Å; C1412-H1434 PolarHBondContact N-O 3.14Å; C1412-H1434 PolarHBondContact O-N 3.32Å; C1412-V1436 HydrophobicContact CB-CG2 3.62Å
1413	I	59	Low	53.5	Low	24 Å²	24	69.9 Å²	69.9	12%	0.123	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.1	-172.9	-39.1	176	0	0	0	110.4	K1383 C1384 L1430 G1432 I1433	K1383-I1413 WeakPolarHBondContact CA-O 3.33Å; C1384-I1413 HydrophobicContact CB-CB 3.66Å; C1384-I1413 HydrophobicContact CB-CD1 4.29Å; C1384-I1413 HydrophobicContact CB-CG1 4.11Å; C1384-I1413 PolarHBondContact N-O 3.27Å; C1384-I1413 PolarHBondContact O-N 2.95Å; I1413-L1430 HydrophobicContact CG2-CD2 3.77Å; I1413-G1432 WeakPolarHBondContact CA-O 3.39Å; I1413-G1432 WeakPolarHBondContact CG2-O 3.3Å; I1413-I1433 HydrophobicContact CG1-CG1 4.24Å; I1413-I1433 HydrophobicContact CG1-CG2 4.43Å; I1413-I1433 HydrophobicContact CG2-CG1 4.26Å
1414	I	56.4	Low	51.4	Low	36 Å²	36	74.7 Å²	74.7	19%	0.185	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	143	-172.3	-53	178.3	0	0	0	111.8	Q1431 G1432	I1414-Q1431 HydrophobicContact CB-CB 4.29Å; I1414-Q1431 HydrophobicContact CG2-CB 4.25Å; I1414-Q1431 WeakPolarHBondContact O-CB 3.34Å; I1414-Q1431 PolarHBondContact O-N 2.85Å; I1414-G1432 PolarHBondContact N-O 3.18Å
1415	L	44.9	Very low	49.3	Very low	24 Å²	24	81 Å²	81	13%	0.126	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147.3	-177.4	-60.2	174.9	0	0	0	112.9	P1382 L1430	P1382-L1415 HydrophobicContact CB-CD1 4.36Å; P1382-L1415 HydrophobicContact CG-CD1 4.21Å; L1415-L1430 HydrophobicContact CD2-CB 4.5Å; L1415-L1430 HydrophobicContact CD2-CG 4.1Å
1416	K	47.9	Very low	47.5	Very low	80 Å²	80	80.9 Å²	80.9	35%	0.348	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	150.6	176.9	-171.5	173.1	176.9	-69.5	0	112.4	D1418 V1429	K1416-D1418 IonicContact NZ-OD1 2.81Å; K1416-D1418 PolarHBondContact NZ-OD1 3.43Å; K1416-D1418 IonicContact NZ-OD2 3.59Å; K1416-D1418 PolarHBondContact NZ-OD2 2.95Å; K1416-V1429 PolarHBondContact N-O 3.2Å; K1416-V1429 PolarHBondContact O-N 2.96Å
1417	D	42.5	Very low	45.8	Very low	71 Å²	71	86.1 Å²	86.1	38%	0.38	46%	0.455	S	S	.	.			trans	-126.2	140.3	174.8	-173.3	56.1	0	0	0	108.5	K1426 I1428	D1417-K1426 IonicContact OD2-NZ 2.92Å; D1417-K1426 PolarHBondContact OD2-NZ 2.9Å; D1417-I1428 HydrophobicContact CB-CG1 4.39Å
1418	D	38.2	Very low	44.4	Very low	113 Å²	113	81.3 Å²	81.3	60%	0.604	44%	0.443	S	S	*	.			trans	-116.2	148.5	178.8	-84.9	-47.6	0	0	0	111.7	K1416	K1416-D1418 IonicContact NZ-OD1 2.81Å; K1416-D1418 PolarHBondContact NZ-OD1 3.43Å; K1416-D1418 IonicContact NZ-OD2 3.59Å; K1416-D1418 PolarHBondContact NZ-OD2 2.95Å
1419	L	31.3	Very low	43.3	Very low	146 Å²	146	84.8 Å²	84.8	76%	0.764	47%	0.465	S	S	*	.			trans	-106.3	116.5	-178	-85.6	154.7	0	0	0	109.7
1420	D	29.8	Very low	42.3	Very low	143 Å²	143	88 Å²	88	77%	0.765	48%	0.478	S	S	*	.			trans	-131.3	148.2	162.7	-152.1	-23.2	0	0	0	110.1	S1422	D1420-S1422 PolarHBondContact O-N 2.76Å
1421	T	28.4	Very low	41.5	Very low	135 Å²	135	93.8 Å²	93.8	83%	0.828	51%	0.505	S	S	*	.	S	Bend	trans	-104.9	48.4	-158.2	49.3	0	0	0	0	113.6
1422	S	31.2	Very low	40.9	Very low	94 Å²	94	93.2 Å²	93.2	66%	0.657	51%	0.508	S	S	*	.	S	Bend	trans	-158	148	164.2	65.1	0	0	0	0	112.9	D1420	D1420-S1422 PolarHBondContact O-N 2.76Å
1423	S	30.4	Very low	40.5	Very low	109 Å²	109	97.1 Å²	97.1	76%	0.762	53%	0.527	S	S	*	.	S	Bend	trans	67.3	171.7	-179.7	83.4	0	0	0	0	116.6
1424	N	27.4	Very low	41	Very low	156 Å²	156	100.8 Å²	100.8	83%	0.834	54%	0.543	S	S	*	.	S	Bend	trans	-98.6	22.3	-158	-74.1	-31	0	0	0	115.3
1425	E	29	Very low	41.4	Very low	149 Å²	149	105.3 Å²	105.3	70%	0.696	57%	0.566	S	S	*	*			trans	-132.5	126.6	-174	-60.8	-164.9	154.7	0	0	113.3
1426	K	31.3	Very low	42.5	Very low	102 Å²	102	105.3 Å²	105.3	44%	0.443	57%	0.567	S	S	.	*			trans	-120.4	137.5	167.8	-81.4	-173.3	148.4	-145.4	0	109.5	D1417	D1417-K1426 IonicContact OD2-NZ 2.92Å; D1417-K1426 PolarHBondContact OD2-NZ 2.9Å
1427	N	33.7	Very low	43.4	Very low	119 Å²	119	106.1 Å²	106.1	64%	0.636	58%	0.576	S	S	*	*			trans	-126	120.6	-177.2	-74.1	-65.1	0	0	0	110.6
1428	I	37.9	Very low	44.4	Very low	91 Å²	91	103.7 Å²	103.7	47%	0.467	56%	0.563	S	S	.	*			trans	-84.2	137.4	176.4	-60.1	171.7	0	0	0	109.3	I1313 D1417	I1313-I1428 HydrophobicContact CD1-CD1 4.29Å; I1313-I1428 HydrophobicContact CG1-CD1 4.47Å; D1417-I1428 HydrophobicContact CB-CG1 4.39Å
1429	V	43.5	Very low	45.7	Very low	98 Å²	98	103.2 Å²	103.2	59%	0.594	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-119.2	142.4	-176.2	-175.6	0	0	0	0	112	K1416	K1416-V1429 PolarHBondContact N-O 3.2Å; K1416-V1429 PolarHBondContact O-N 2.96Å
1430	L	43.3	Very low	47.2	Very low	115 Å²	115	99.6 Å²	99.6	60%	0.602	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	116	-178.4	-145.4	173.2	0	0	0	109.7	I1413 L1415	I1413-L1430 HydrophobicContact CG2-CD2 3.77Å; L1415-L1430 HydrophobicContact CD2-CB 4.5Å; L1415-L1430 HydrophobicContact CD2-CG 4.1Å
1431	Q	49.3	Very low	48.8	Very low	122 Å²	122	92.8 Å²	92.8	57%	0.57	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	-14.7	-162.7	-155.4	174.9	6	0	0	115	I1414	I1414-Q1431 HydrophobicContact CB-CB 4.29Å; I1414-Q1431 HydrophobicContact CG2-CB 4.25Å; I1414-Q1431 WeakPolarHBondContact O-CB 3.34Å; I1414-Q1431 PolarHBondContact O-N 2.85Å
1432	G	56.7	Low	50.3	Low	20 Å²	20	89.6 Å²	89.6	21%	0.206	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.6	165.7	172.9	0	0	0	0	0	114.4	I1413 I1414	I1413-G1432 WeakPolarHBondContact CA-O 3.39Å; I1413-G1432 WeakPolarHBondContact CG2-O 3.3Å; I1414-G1432 PolarHBondContact N-O 3.18Å
1433	I	59.4	Low	51.6	Low	93 Å²	93	90.5 Å²	90.5	48%	0.477	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.8	165.6	-53.6	178.7	0	0	0	107.2	E1411 C1412 I1413	E1411-I1433 HydrophobicContact CB-CG2 4.09Å; E1411-I1433 HydrophobicContact CG-CG2 4.33Å; C1412-I1433 CarbonylContact O-C 3.57Å; C1412-I1433 WeakPolarHBondContact O-CA 3.43Å; I1413-I1433 HydrophobicContact CG1-CG1 4.24Å; I1413-I1433 HydrophobicContact CG1-CG2 4.43Å; I1413-I1433 HydrophobicContact CG2-CG1 4.26Å
1434	H	68.2	Low	52.8	Low	100 Å²	100	86.1 Å²	86.1	46%	0.463	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.5	-178.7	-59.2	-75.7	0	0	0	110.4	E1411 C1412	E1411-H1434 CarbonylContact C-O 3.54Å; E1411-H1434 WeakPolarHBondContact CA-O 3.19Å; C1412-H1434 PolarHBondContact N-O 3.14Å; C1412-H1434 PolarHBondContact O-N 3.32Å
1435	I	64.9	Low	54.1	Low	131 Å²	131	80.1 Å²	80.1	67%	0.672	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	138.2	168.1	-64.6	174.4	0	0	0	108.6	C1410	C1410-I1435 VanDerWaalsContact O-CA 3.26Å; C1410-I1435 WeakPolarHBondContact O-CA 3.4Å
1436	V	67.8	Low	54.8	Low	24 Å²	24	78 Å²	78	15%	0.145	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	160.1	-179.5	-114	0	0	0	0	110.9	Y1385 C1410 C1412 K1440	Y1385-V1436 HydrophobicContact CD1-CG2 4.28Å; Y1385-V1436 HydrophobicContact CE1-CG1 4.42Å; Y1385-V1436 HydrophobicContact CE1-CG2 4.21Å; C1410-V1436 HydrophobicContact CB-CB 4.15Å; C1410-V1436 HydrophobicContact CB-CG2 3.87Å; C1410-V1436 WeakPolarHBondContact CB-O 3.22Å; C1410-V1436 PolarHBondContact O-N 3.41Å; C1410-V1436 VanDerWaalsContact SG-CG2 3.54Å; C1412-V1436 HydrophobicContact CB-CG2 3.62Å; V1436-K1440 HydrophobicContact CB-CG 4.4Å; V1436-K1440 HydrophobicContact CG1-CB 4.49Å; V1436-K1440 HydrophobicContact CG1-CD 3.75Å; V1436-K1440 VanDerWaalsContact CG1-CE 3.49Å; V1436-K1440 HydrophobicContact CG1-CG 3.83Å
1437	D	68	Low	55.7	Low	97 Å²	97	76.9 Å²	76.9	52%	0.519	39%	0.392	S	S	.	.			trans	-61.1	151.3	175.1	-153.3	-64.1	0	0	0	111.4	D1439 K1440 C1441	D1437-D1439 VanDerWaalsContact C-N 3.34Å; D1437-D1439 PolarHBondContact OD1-N 3.22Å; D1437-D1439 VanDerWaalsContact OD1-N 3.17Å; D1437-K1440 HydrophobicContact CB-CB 3.8Å; D1437-K1440 CarbonylContact O-C 3.5Å; D1437-K1440 WeakPolarHBondContact O-CB 3.25Å; D1437-K1440 PolarHBondContact O-N 3.32Å; D1437-C1441 PolarHBondContact O-N 2.78Å
1438	N	63.8	Low	56.5	Low	21 Å²	21	75.1 Å²	75.1	11%	0.112	38%	0.381	C	S	.	.	H	α-helix	trans	-65.9	-39.1	176.7	-75.8	-22.9	0	0	0	111	K1440 C1441 M1442 N1484	N1438-K1440 VanDerWaalsContact C-N 3.27Å; N1438-K1440 PolarHBondContact O-N 2.94Å; N1438-C1441 WeakPolarHBondContact O-CA 3.22Å; N1438-C1441 VanDerWaalsContact O-CB 3.23Å; N1438-C1441 WeakPolarHBondContact O-CB 3.15Å; N1438-C1441 PolarHBondContact O-N 2.89Å; N1438-M1442 WeakPolarHBondContact O-CG 3.29Å; N1438-M1442 PolarHBondContact O-N 2.71Å; N1438-N1484 PolarHBondContact ND2-OD1 3.24Å
1439	D	64.3	Low	57.2	Low	102 Å²	102	71.5 Å²	71.5	55%	0.545	36%	0.363	S	S	.	.	H	α-helix	trans	-61.8	-41.1	175.2	-65.9	-6.8	0	0	0	110.6	D1437 C1441 M1442 Q1443	D1437-D1439 VanDerWaalsContact C-N 3.34Å; D1437-D1439 PolarHBondContact OD1-N 3.22Å; D1437-D1439 VanDerWaalsContact OD1-N 3.17Å; D1439-C1441 VanDerWaalsContact C-N 3.29Å; D1439-C1441 PolarHBondContact O-N 3.14Å; D1439-M1442 PolarHBondContact O-N 3.33Å; D1439-Q1443 WeakPolarHBondContact O-CB 3.25Å; D1439-Q1443 VanDerWaalsContact O-CG 3.29Å; D1439-Q1443 WeakPolarHBondContact O-CG 3.38Å; D1439-Q1443 PolarHBondContact O-N 2.81Å
1440	K	63.3	Low	57.7	Low	71 Å²	71	73.3 Å²	73.3	31%	0.309	36%	0.359	S	S	.	.	H	α-helix	trans	-69.5	-26.4	176.1	-173.6	152.8	164.4	156.7	0	112.3	V1436 D1437 N1438 N1444 N1961	V1436-K1440 HydrophobicContact CB-CG 4.4Å; V1436-K1440 HydrophobicContact CG1-CB 4.49Å; V1436-K1440 HydrophobicContact CG1-CD 3.75Å; V1436-K1440 VanDerWaalsContact CG1-CE 3.49Å; V1436-K1440 HydrophobicContact CG1-CG 3.83Å; D1437-K1440 HydrophobicContact CB-CB 3.8Å; D1437-K1440 CarbonylContact O-C 3.5Å; D1437-K1440 WeakPolarHBondContact O-CB 3.25Å; D1437-K1440 PolarHBondContact O-N 3.32Å; N1438-K1440 VanDerWaalsContact C-N 3.27Å; N1438-K1440 PolarHBondContact O-N 2.94Å; K1440-N1444 WeakPolarHBondContact O-CB 3.29Å; K1440-N1444 PolarHBondContact O-N 3.47Å; K1440-N1444 PolarHBondContact O-ND2 3.35Å; K1440-N1961 VanDerWaalsContact CE-CG 3.4Å; K1440-N1961 WeakPolarHBondContact CE-OD1 3.47Å; K1440-N1961 PolarHBondContact NZ-OD1 2.86Å
1441	C	63.7	Low	58.4	Low	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-70.3	-51.7	169.2	-137.4	0	0	0	0	111.2	W1387 C1410 D1437 N1438 D1439 Q1443 N1444 L1445	W1387-C1441 HydrophobicContact CE3-CB 4.37Å; W1387-C1441 HydrophobicContact CH2-CB 3.48Å; W1387-C1441 VanDerWaalsContact CH2-CB 3.48Å; W1387-C1441 HydrophobicContact CZ2-CB 3.79Å; W1387-C1441 HydrophobicContact CZ3-CB 3.8Å; C1410-C1441 HydrophobicContact CB-CB 3.45Å; C1410-C1441 VanDerWaalsContact CB-CB 3.45Å; C1410-C1441 WeakPolarHBondContact CB-SG 3.27Å; C1410-C1441 VanDerWaalsContact SG-CA 3.51Å; C1410-C1441 WeakPolarHBondContact SG-CB 3.32Å; C1410-C1441 CovalentContact SG-SG 2.01Å; C1410-C1441 PolarHBondContact SG-SG 2.68Å; D1437-C1441 PolarHBondContact O-N 2.78Å; N1438-C1441 WeakPolarHBondContact O-CA 3.22Å; N1438-C1441 VanDerWaalsContact O-CB 3.23Å; N1438-C1441 WeakPolarHBondContact O-CB 3.15Å; N1438-C1441 PolarHBondContact O-N 2.89Å; D1439-C1441 VanDerWaalsContact C-N 3.29Å; D1439-C1441 PolarHBondContact O-N 3.14Å; C1441-Q1443 VanDerWaalsContact C-N 3.31Å; C1441-Q1443 PolarHBondContact O-N 2.78Å; C1441-N1444 CarbonylContact O-C 3.52Å; C1441-N1444 PolarHBondContact O-N 2.83Å; C1441-L1445 WeakPolarHBondContact O-CB 3.34Å; C1441-L1445 PolarHBondContact O-N 3.35Å; C1441-L1445 VanDerWaalsContact SG-CD1 3.52Å
1442	M	60	Low	58.6	Low	67 Å²	67	63.9 Å²	63.9	33%	0.33	31%	0.312	S	S	.	.	H	α-helix	trans	-56.2	-45.5	179.2	-67.7	-65.2	-74.4	0	0	111.2	W1387 N1438 D1439 N1444 Q1446 I1483	W1387-M1442 HydrophobicContact CH2-CG 4.45Å; W1387-M1442 HydrophobicContact CH2-SD 4.25Å; W1387-M1442 HydrophobicContact CZ2-SD 3.94Å; N1438-M1442 WeakPolarHBondContact O-CG 3.29Å; N1438-M1442 PolarHBondContact O-N 2.71Å; D1439-M1442 PolarHBondContact O-N 3.33Å; M1442-N1444 VanDerWaalsContact C-N 3.3Å; M1442-N1444 PolarHBondContact O-N 2.81Å; M1442-Q1446 PolarHBondContact O-N 3.06Å; M1442-I1483 HydrophobicContact CE-CD1 4.3Å; M1442-I1483 HydrophobicContact CG-CD1 4.23Å; M1442-I1483 HydrophobicContact SD-CD1 3.49Å; M1442-I1483 WeakPolarHBondContact SD-CD1 3.5Å
1443	Q	58.9	Low	58.3	Low	113 Å²	113	63.8 Å²	63.8	53%	0.528	31%	0.307	S	S	.	.	H	α-helix	trans	-57.8	-35.7	174.6	-75	172.4	-0.6	0	0	114.2	D1439 C1441 N1959	D1439-Q1443 WeakPolarHBondContact O-CB 3.25Å; D1439-Q1443 VanDerWaalsContact O-CG 3.29Å; D1439-Q1443 WeakPolarHBondContact O-CG 3.38Å; D1439-Q1443 PolarHBondContact O-N 2.81Å; C1441-Q1443 VanDerWaalsContact C-N 3.31Å; C1441-Q1443 PolarHBondContact O-N 2.78Å; Q1443-N1959 PolarHBondContact O-ND2 2.85Å
1444	N	53.8	Low	57.8	Low	18 Å²	18	60.5 Å²	60.5	10%	0.096	29%	0.291	C	S	.	.	H	α-helix	trans	-105.2	-7.2	-171.3	-68.7	-95.2	0	0	0	114.2	Y1385 K1440 C1441 M1442 N1959 N1961	Y1385-N1444 HydrophobicContact CD1-CB 3.89Å; Y1385-N1444 HydrophobicContact CD2-CB 3.63Å; Y1385-N1444 HydrophobicContact CE1-CB 4.06Å; Y1385-N1444 HydrophobicContact CE2-CB 3.81Å; Y1385-N1444 HydrophobicContact CG-CB 3.67Å; K1440-N1444 WeakPolarHBondContact O-CB 3.29Å; K1440-N1444 PolarHBondContact O-N 3.47Å; K1440-N1444 PolarHBondContact O-ND2 3.35Å; C1441-N1444 CarbonylContact O-C 3.52Å; C1441-N1444 PolarHBondContact O-N 2.83Å; M1442-N1444 VanDerWaalsContact C-N 3.3Å; M1442-N1444 PolarHBondContact O-N 2.81Å; N1444-N1959 WeakPolarHBondContact OD1-CB 3.2Å; N1444-N1961 PolarHBondContact ND2-ND2 2.77Å
1445	L	55.8	Low	56.6	Low	29 Å²	29	58.9 Å²	58.9	15%	0.152	28%	0.282	C	S	.	.	H	α-helix	trans	-111.5	-14.6	174.4	-70.4	177.5	0	0	0	113.9	W1387 C1441 Y1447 T1464	W1387-L1445 VanDerWaalsContact CD1-CD1 3.45Å; W1387-L1445 HydrophobicContact CD2-CD1 4.28Å; W1387-L1445 HydrophobicContact CG-CD1 4.09Å; W1387-L1445 HydrophobicContact CZ2-CD1 4.48Å; C1441-L1445 WeakPolarHBondContact O-CB 3.34Å; C1441-L1445 PolarHBondContact O-N 3.35Å; C1441-L1445 VanDerWaalsContact SG-CD1 3.52Å; L1445-Y1447 VanDerWaalsContact O-CD2 3.24Å; L1445-Y1447 WeakPolarHBondContact O-CD2 3.42Å; L1445-Y1447 PolarHBondContact O-N 2.64Å; L1445-T1464 HydrophobicContact CB-CG2 4.4Å
1446	Q	43.4	Very low	55.7	Low	105 Å²	105	57.6 Å²	57.6	49%	0.491	28%	0.281	S	S	.	.			trans	57.6	-0.3	166.5	-59.6	-170.3	-8	0	0	118.2	M1442 P1957	M1442-Q1446 PolarHBondContact O-N 3.06Å; Q1446-P1957 VanDerWaalsContact NE2-CG 3.31Å
1447	Y	50.7	Low	54.8	Low	79 Å²	79	61.6 Å²	61.6	31%	0.31	30%	0.301	S	S	.	.	S	Bend	trans	-126.1	144	173.9	-58.3	-74	0	0	0	110	L1445 E1466	L1445-Y1447 VanDerWaalsContact O-CD2 3.24Å; L1445-Y1447 WeakPolarHBondContact O-CD2 3.42Å; L1445-Y1447 PolarHBondContact O-N 2.64Å; Y1447-E1466 HydrophobicContact CE1-CG 4.49Å
1448	M	49.1	Very low	53.9	Low	82 Å²	82	57.5 Å²	57.5	40%	0.404	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-54.6	126.7	167.5	-77	-155.7	91.2	0	0	109.8	R1450	M1448-R1450 PolarHBondContact O-N 2.78Å
1449	P	53.7	Low	53.3	Low	15 Å²	15	58.7 Å²	58.7	10%	0.097	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-61.8	120.4	171.2	22.8	-31	0	0	0	110	W1387 V1462 I1483	W1387-P1449 HydrophobicContact CD2-CB 4.37Å; W1387-P1449 HydrophobicContact CH2-CG 4.24Å; W1387-P1449 HydrophobicContact CZ2-CB 4.11Å; W1387-P1449 HydrophobicContact CZ2-CG 3.64Å; P1449-V1462 HydrophobicContact CB-CG1 3.34Å; P1449-I1483 HydrophobicContact CG-CD1 3.51Å; P1449-I1483 HydrophobicContact CG-CG1 4.23Å
1450	R	54.4	Low	52.7	Low	136 Å²	136	54 Å²	54	51%	0.513	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.2	161.8	-69.8	-176.8	-172.8	165.2	6.9	108	M1448 F1452 V1462 E1463 V1465	M1448-R1450 PolarHBondContact O-N 2.78Å; R1450-F1452 VanDerWaalsContact C-CE2 3.41Å; R1450-F1452 HydrophobicContact CB-CD2 4.33Å; R1450-F1452 HydrophobicContact CB-CE2 3.29Å; R1450-F1452 HydrophobicContact CB-CZ 3.45Å; R1450-F1452 VanDerWaalsContact CB-CZ 3.45Å; R1450-F1452 WeakPolarHBondContact O-CD2 3.41Å; R1450-F1452 WeakPolarHBondContact O-CE2 3.46Å; R1450-V1462 WeakPolarHBondContact O-CA 3.45Å; R1450-E1463 PolarHBondContact N-O 2.66Å; R1450-E1463 VanDerWaalsContact N-O 3.13Å; R1450-E1463 PolarHBondContact O-N 3.12Å; R1450-V1465 HydrophobicContact CB-CG2 4.29Å; R1450-V1465 HydrophobicContact CG-CG2 4.47Å
1451	L	56.5	Low	52.3	Low	12 Å²	12	55.5 Å²	55.5	6%	0.063	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.8	-179	-56.5	-176	0	0	0	109.8	I1408 I1460 V1462 L1478 V1480 V1487	I1408-L1451 HydrophobicContact CD1-CD1 3.99Å; I1408-L1451 HydrophobicContact CD1-CD2 3.47Å; I1408-L1451 VanDerWaalsContact CD1-CD2 3.47Å; I1408-L1451 HydrophobicContact CD1-CG 4.35Å; L1451-I1460 HydrophobicContact CB-CG2 4.25Å; L1451-I1460 HydrophobicContact CD2-CG2 4.35Å; L1451-V1462 HydrophobicContact CD2-CB 4.38Å; L1451-V1462 HydrophobicContact CD2-CG1 3.96Å; L1451-V1462 HydrophobicContact CD2-CG2 3.74Å; L1451-L1478 HydrophobicContact CB-CB 4.22Å; L1451-L1478 HydrophobicContact CB-CD1 3.79Å; L1451-L1478 HydrophobicContact CD1-CB 4.19Å; L1451-L1478 HydrophobicContact CD1-CD1 4.04Å; L1451-V1480 HydrophobicContact CD1-CG2 3.86Å; L1451-V1487 HydrophobicContact CD1-CG1 4.15Å; L1451-V1487 HydrophobicContact CD1-CG2 3.67Å
1452	F	54.3	Low	51.9	Low	26 Å²	26	56.9 Å²	56.9	11%	0.114	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112.2	-175.4	-59	-95.3	0	0	0	109.6	R1450 D1454 I1460 F1461 E1463 V1465 M1475	R1450-F1452 VanDerWaalsContact C-CE2 3.41Å; R1450-F1452 HydrophobicContact CB-CD2 4.33Å; R1450-F1452 HydrophobicContact CB-CE2 3.29Å; R1450-F1452 HydrophobicContact CB-CZ 3.45Å; R1450-F1452 VanDerWaalsContact CB-CZ 3.45Å; R1450-F1452 WeakPolarHBondContact O-CD2 3.41Å; R1450-F1452 WeakPolarHBondContact O-CE2 3.46Å; F1452-D1454 PolarHBondContact O-N 3.23Å; F1452-I1460 WeakPolarHBondContact O-CA 3.42Å; F1452-F1461 HydrophobicContact CB-CB 4.27Å; F1452-F1461 PolarHBondContact N-O 3.44Å; F1452-F1461 PolarHBondContact O-N 3.12Å; F1452-E1463 HydrophobicContact CD2-CB 3.73Å; F1452-E1463 HydrophobicContact CE2-CB 3.24Å; F1452-E1463 HydrophobicContact CE2-CG 4.5Å; F1452-E1463 HydrophobicContact CZ-CB 3.94Å; F1452-V1465 HydrophobicContact CE2-CG2 4.23Å; F1452-V1465 HydrophobicContact CZ-CG2 3.82Å; F1452-M1475 HydrophobicContact CD1-CB 3.91Å; F1452-M1475 HydrophobicContact CD1-CE 4.48Å; F1452-M1475 HydrophobicContact CD1-CG 3.76Å; F1452-M1475 HydrophobicContact CD1-SD 3.59Å; F1452-M1475 VanDerWaalsContact CD1-SD 3.59Å; F1452-M1475 HydrophobicContact CE1-CB 4.18Å; F1452-M1475 HydrophobicContact CE1-CG 4.16Å; F1452-M1475 HydrophobicContact CE1-SD 3.5Å; F1452-M1475 WeakPolarHBondContact CE1-SD 3.41Å
1453	T	50.8	Low	51.5	Low	18 Å²	18	57.3 Å²	57.3	11%	0.11	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	116	176.2	62.7	0	0	0	0	110.6	M1392 K1455 L1489	M1392-T1453 HydrophobicContact CE-CG2 4.49Å; T1453-K1455 PolarHBondContact O-N 3.47Å; T1453-L1489 HydrophobicContact CG2-CD1 4.38Å
1454	D	48.6	Very low	51	Low	25 Å²	25	54 Å²	54	13%	0.134	27%	0.269	C	S	.	.			trans	-67.1	115.9	167.8	-171.5	-20	0	0	0	109.9	F1452 T1456 N1457 G1458 T1459 F1461	F1452-D1454 PolarHBondContact O-N 3.23Å; D1454-T1456 PolarHBondContact O-N 3.34Å; D1454-T1456 WeakPolarHBondContact OD1-CA 3.2Å; D1454-T1456 WeakPolarHBondContact OD1-CB 3.46Å; D1454-T1456 PolarHBondContact OD1-N 2.79Å; D1454-T1456 PolarHBondContact OD1-OG1 2.92Å; D1454-T1456 PolarHBondContact OD2-OG1 2.75Å; D1454-N1457 HydrophobicContact CB-CB 4.42Å; D1454-N1457 PolarHBondContact OD1-N 3.1Å; D1454-N1457 WeakPolarHBondContact OD2-CB 3.06Å; D1454-N1457 PolarHBondContact OD2-ND2 3.33Å; D1454-G1458 WeakPolarHBondContact O-CA 3.44Å; D1454-G1458 PolarHBondContact O-N 3.19Å; D1454-T1459 WeakPolarHBondContact CB-O 3.29Å; D1454-T1459 WeakPolarHBondContact CB-OG1 3.3Å; D1454-T1459 PolarHBondContact N-O 3.45Å; D1454-F1461 HydrophobicContact CB-CD2 4.19Å; D1454-F1461 HydrophobicContact CB-CE2 3.59Å; D1454-F1461 HydrophobicContact CB-CZ 4.2Å
1455	K	43.9	Very low	50.3	Low	65 Å²	65	54.2 Å²	54.2	28%	0.283	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.8	178.9	-75.8	168.7	177.5	161.3	0	114.4	T1453 E1474 K1537 R1538	T1453-K1455 PolarHBondContact O-N 3.47Å; K1455-E1474 PolarHBondContact NZ-O 3.24Å; K1455-E1474 IonicContact NZ-OE2 2.77Å; K1455-E1474 PolarHBondContact NZ-OE2 2.95Å; K1455-K1537 WeakPolarHBondContact CA-O 3.38Å; K1455-R1538 HydrophobicContact CD-CG 4.37Å; K1455-R1538 HydrophobicContact CG-CG 4.18Å
1456	T	45.6	Very low	49.1	Very low	104 Å²	104	59.1 Å²	59.1	64%	0.638	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-44	-179.2	66.1	0	0	0	0	111.4	D1454	D1454-T1456 PolarHBondContact O-N 3.34Å; D1454-T1456 WeakPolarHBondContact OD1-CA 3.2Å; D1454-T1456 WeakPolarHBondContact OD1-CB 3.46Å; D1454-T1456 PolarHBondContact OD1-N 2.79Å; D1454-T1456 PolarHBondContact OD1-OG1 2.92Å; D1454-T1456 PolarHBondContact OD2-OG1 2.75Å
1457	N	48.6	Very low	48.7	Very low	108 Å²	108	60.1 Å²	60.1	58%	0.578	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-20.1	-173.4	-62.5	-55.4	0	0	0	114.4	D1454 T1459	D1454-N1457 HydrophobicContact CB-CB 4.42Å; D1454-N1457 PolarHBondContact OD1-N 3.1Å; D1454-N1457 WeakPolarHBondContact OD2-CB 3.06Å; D1454-N1457 PolarHBondContact OD2-ND2 3.33Å; N1457-T1459 HydrophobicContact CB-CG2 4.31Å; N1457-T1459 PolarHBondContact O-N 2.9Å
1458	G	49.7	Very low	47.6	Very low	11 Å²	11	66.6 Å²	66.6	11%	0.113	32%	0.316	C	S	.	.			trans	69.3	13.5	-171.3	0	0	0	0	0	113.8	D1454	D1454-G1458 WeakPolarHBondContact O-CA 3.44Å; D1454-G1458 PolarHBondContact O-N 3.19Å
1459	T	50.6	Low	46.7	Very low	47 Å²	47	66.5 Å²	66.5	29%	0.288	32%	0.316	S	S	.	.			trans	-75	146.9	167.3	40.7	0	0	0	0	110.3	D1454 N1457	D1454-T1459 WeakPolarHBondContact CB-O 3.29Å; D1454-T1459 WeakPolarHBondContact CB-OG1 3.3Å; D1454-T1459 PolarHBondContact N-O 3.45Å; N1457-T1459 HydrophobicContact CB-CG2 4.31Å; N1457-T1459 PolarHBondContact O-N 2.9Å
1460	I	52.1	Low	45.5	Very low	2 Å²	2	72 Å²	72	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	113.3	169.6	-53	163.6	0	0	0	106.9	M1392 T1406 I1408 L1451 F1452 V1462	M1392-I1460 HydrophobicContact CE-CD1 3.98Å; M1392-I1460 HydrophobicContact CE-CG1 3.62Å; M1392-I1460 HydrophobicContact SD-CD1 4.02Å; M1392-I1460 HydrophobicContact SD-CG1 4.33Å; T1406-I1460 HydrophobicContact CG2-CD1 3.25Å; T1406-I1460 WeakPolarHBondContact OG1-CD1 3.41Å; I1408-I1460 HydrophobicContact CD1-CD1 4.18Å; I1408-I1460 HydrophobicContact CD1-CG2 3.88Å; I1408-I1460 HydrophobicContact CG1-CD1 4.36Å; L1451-I1460 HydrophobicContact CB-CG2 4.25Å; L1451-I1460 HydrophobicContact CD2-CG2 4.35Å; F1452-I1460 WeakPolarHBondContact O-CA 3.42Å; I1460-V1462 HydrophobicContact CG2-CG2 4.25Å
1461	F	53.5	Low	44.4	Very low	103 Å²	103	71.7 Å²	71.7	45%	0.452	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	150	161.8	-53.7	-58.9	0	0	0	108.6	F1452 D1454	F1452-F1461 HydrophobicContact CB-CB 4.27Å; F1452-F1461 PolarHBondContact N-O 3.44Å; F1452-F1461 PolarHBondContact O-N 3.12Å; D1454-F1461 HydrophobicContact CB-CD2 4.19Å; D1454-F1461 HydrophobicContact CB-CE2 3.59Å; D1454-F1461 HydrophobicContact CB-CZ 4.2Å
1462	V	56.3	Low	43	Very low	30 Å²	30	79 Å²	79	18%	0.182	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	108.2	179.2	-174.3	0	0	0	0	107.2	W1387 I1408 P1449 R1450 L1451 I1460	W1387-V1462 HydrophobicContact CB-CB 3.61Å; W1387-V1462 HydrophobicContact CB-CG1 3.63Å; W1387-V1462 HydrophobicContact CB-CG2 4.01Å; W1387-V1462 HydrophobicContact CD2-CG1 4.2Å; W1387-V1462 HydrophobicContact CG-CB 4.05Å; W1387-V1462 HydrophobicContact CG-CG1 3.46Å; W1387-V1462 VanDerWaalsContact CG-CG1 3.46Å; I1408-V1462 HydrophobicContact CD1-CG2 4.16Å; I1408-V1462 HydrophobicContact CG2-CG2 4.19Å; P1449-V1462 HydrophobicContact CB-CG1 3.34Å; R1450-V1462 WeakPolarHBondContact O-CA 3.45Å; L1451-V1462 HydrophobicContact CD2-CB 4.38Å; L1451-V1462 HydrophobicContact CD2-CG1 3.96Å; L1451-V1462 HydrophobicContact CD2-CG2 3.74Å; I1460-V1462 HydrophobicContact CG2-CG2 4.25Å
1463	E	50.2	Low	42	Very low	75 Å²	75	85.1 Å²	85.1	35%	0.35	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.9	-175.1	-152	-176.5	-157.9	0	0	109	R1450 F1452 V1465	R1450-E1463 PolarHBondContact N-O 2.66Å; R1450-E1463 VanDerWaalsContact N-O 3.13Å; R1450-E1463 PolarHBondContact O-N 3.12Å; F1452-E1463 HydrophobicContact CD2-CB 3.73Å; F1452-E1463 HydrophobicContact CE2-CB 3.24Å; F1452-E1463 HydrophobicContact CE2-CG 4.5Å; F1452-E1463 HydrophobicContact CZ-CB 3.94Å; E1463-V1465 HydrophobicContact CB-CG2 3.91Å; E1463-V1465 HydrophobicContact CG-CG2 4.07Å
1464	T	49.1	Very low	41.3	Very low	44 Å²	44	90.5 Å²	90.5	27%	0.27	45%	0.446	S	S	.	.			trans	-90.5	99.7	171.2	43.1	0	0	0	0	108.4	L1445 E1466	L1445-T1464 HydrophobicContact CB-CG2 4.4Å; T1464-E1466 PolarHBondContact O-N 3.06Å
1465	V	38.4	Very low	40.4	Very low	23 Å²	23	92.9 Å²	92.9	14%	0.139	46%	0.457	C	S	.	.			trans	-94.2	92.3	-159.7	-175.1	0	0	0	0	113.7	R1450 F1452 E1463 R1467	R1450-V1465 HydrophobicContact CB-CG2 4.29Å; R1450-V1465 HydrophobicContact CG-CG2 4.47Å; F1452-V1465 HydrophobicContact CE2-CG2 4.23Å; F1452-V1465 HydrophobicContact CZ-CG2 3.82Å; E1463-V1465 HydrophobicContact CB-CG2 3.91Å; E1463-V1465 HydrophobicContact CG-CG2 4.07Å; V1465-R1467 VanDerWaalsContact C-N 3.3Å; V1465-R1467 WeakPolarHBondContact CG1-O 3.15Å
1466	E	32.1	Very low	40.3	Very low	132 Å²	132	91.9 Å²	91.9	62%	0.617	45%	0.454	S	S	*	.			trans	-88.7	13.3	165.9	-151.1	-164.9	-171.4	0	0	112.6	Y1447 T1464	Y1447-E1466 HydrophobicContact CE1-CG 4.49Å; T1464-E1466 PolarHBondContact O-N 3.06Å
1467	R	33.9	Very low	40	Very low	125 Å²	125	92 Å²	92	47%	0.472	46%	0.457	S	S	.	.	S	Bend	trans	-130.6	144.6	-170.4	-75.5	-173.9	172.5	123.4	7.6	114.5	V1465	V1465-R1467 VanDerWaalsContact C-N 3.3Å; V1465-R1467 WeakPolarHBondContact CG1-O 3.15Å
1468	R	27.5	Very low	39.8	Very low	215 Å²	215	88.6 Å²	88.6	81%	0.811	44%	0.438	S	S	*	.			trans	-68.1	129.9	155.9	-73.7	-173.4	178.7	-175.4	-0.2	109.4
1469	I	31.7	Very low	39.5	Very low	80 Å²	80	97.2 Å²	97.2	41%	0.41	47%	0.473	S	S	.	.			trans	-99	82.3	171.9	-55.3	178.9	0	0	0	107.9	N1471 M1475	I1469-N1471 PolarHBondContact O-N 2.98Å; I1469-N1471 VanDerWaalsContact O-N 3.14Å; I1469-M1475 HydrophobicContact CD1-CE 4.23Å; I1469-M1475 HydrophobicContact CD1-SD 4Å; I1469-M1475 HydrophobicContact CG2-CE 4.23Å
1470	D	28.7	Very low	39.3	Very low	131 Å²	131	96.3 Å²	96.3	70%	0.701	47%	0.467	S	S	*	.			trans	-76.1	92.4	167.7	-66.6	-48.5	0	0	0	108.5
1471	N	29.9	Very low	39	Very low	130 Å²	130	103.4 Å²	103.4	70%	0.695	51%	0.505	S	S	*	.	S	Bend	trans	159.5	113.5	149	-84.4	-52.3	0	0	0	113.1	I1469 Q1473	I1469-N1471 PolarHBondContact O-N 2.98Å; I1469-N1471 VanDerWaalsContact O-N 3.14Å; N1471-Q1473 PolarHBondContact O-N 2.69Å
1472	D	28.5	Very low	38.8	Very low	165 Å²	165	101.6 Å²	101.6	88%	0.882	50%	0.5	S	S	*	.			trans	45.2	34.8	135.4	-65.7	3.3	0	0	0	121.7
1473	Q	32.8	Very low	38.7	Very low	154 Å²	154	102.1 Å²	102.1	72%	0.72	50%	0.501	S	S	*	.			trans	-129.2	115.6	163.6	-66.4	-167.8	-4.1	0	0	112.3	N1471 M1475	N1471-Q1473 PolarHBondContact O-N 2.69Å; Q1473-M1475 HydrophobicContact CB-CE 4.17Å; Q1473-M1475 WeakPolarHBondContact O-CG 3.38Å; Q1473-M1475 PolarHBondContact O-N 2.85Å
1474	E	34.7	Very low	38.7	Very low	132 Å²	132	103.1 Å²	103.1	62%	0.617	51%	0.509	S	S	*	.			trans	-55.2	99.9	170.6	-88.4	-176.1	169	0	0	110.3	K1455 R1538	K1455-E1474 PolarHBondContact NZ-O 3.24Å; K1455-E1474 IonicContact NZ-OE2 2.77Å; K1455-E1474 PolarHBondContact NZ-OE2 2.95Å; E1474-R1538 VanDerWaalsContact CD-NH2 3.3Å; E1474-R1538 IonicContact OE1-NH2 3.44Å; E1474-R1538 PolarHBondContact OE1-NH2 3.18Å; E1474-R1538 IonicContact OE2-CZ 2.81Å; E1474-R1538 IonicContact OE2-NE 2.8Å; E1474-R1538 IonicContact OE2-NH2 2.61Å; E1474-R1538 PolarHBondContact OE2-NH2 3.34Å
1475	M	31.1	Very low	39.2	Very low	75 Å²	75	106.5 Å²	106.5	37%	0.369	52%	0.522	S	S	.	.			trans	-104.6	147.9	173.5	-63.5	163.7	-179.1	0	0	109.8	F1452 I1469 Q1473 P1477	F1452-M1475 HydrophobicContact CD1-CB 3.91Å; F1452-M1475 HydrophobicContact CD1-CE 4.48Å; F1452-M1475 HydrophobicContact CD1-CG 3.76Å; F1452-M1475 HydrophobicContact CD1-SD 3.59Å; F1452-M1475 VanDerWaalsContact CD1-SD 3.59Å; F1452-M1475 HydrophobicContact CE1-CB 4.18Å; F1452-M1475 HydrophobicContact CE1-CG 4.16Å; F1452-M1475 HydrophobicContact CE1-SD 3.5Å; F1452-M1475 WeakPolarHBondContact CE1-SD 3.41Å; I1469-M1475 HydrophobicContact CD1-CE 4.23Å; I1469-M1475 HydrophobicContact CD1-SD 4Å; I1469-M1475 HydrophobicContact CG2-CE 4.23Å; Q1473-M1475 HydrophobicContact CB-CE 4.17Å; Q1473-M1475 WeakPolarHBondContact O-CG 3.38Å; Q1473-M1475 PolarHBondContact O-N 2.85Å; M1475-P1477 WeakPolarHBondContact O-CD 3.16Å
1476	I	42	Very low	40.4	Very low	44 Å²	44	107.9 Å²	107.9	23%	0.226	53%	0.532	C	S	.	.			trans	-108.1	105.1	-177.2	-56.9	159.4	0	0	0	109	L1478 H1539 S1540	I1476-L1478 PolarHBondContact O-N 2.91Å; I1476-H1539 WeakPolarHBondContact CD1-O 3.19Å; I1476-S1540 WeakPolarHBondContact CD1-O 3.36Å; I1476-S1540 VanDerWaalsContact CG2-OG 3.29Å; I1476-S1540 WeakPolarHBondContact CG2-OG 3.48Å
1477	P	38.9	Very low	41.8	Very low	107 Å²	107	102.1 Å²	102.1	70%	0.695	51%	0.505	S	S	*	.			trans	-73.8	94.5	179.2	30.1	-33.8	0	0	0	110.2	M1475 K1479	M1475-P1477 WeakPolarHBondContact O-CD 3.16Å; P1477-K1479 PolarHBondContact O-N 3.23Å; P1477-K1479 VanDerWaalsContact O-N 3.12Å
1478	L	44.4	Very low	43.3	Very low	36 Å²	36	101.3 Å²	101.3	19%	0.188	51%	0.508	C	S	.	.			trans	-69.5	103.7	170.8	-75.3	153.1	0	0	0	109.3	L1451 I1476 V1480 V1487 L1489	L1451-L1478 HydrophobicContact CB-CB 4.22Å; L1451-L1478 HydrophobicContact CB-CD1 3.79Å; L1451-L1478 HydrophobicContact CD1-CB 4.19Å; L1451-L1478 HydrophobicContact CD1-CD1 4.04Å; I1476-L1478 PolarHBondContact O-N 2.91Å; L1478-V1480 HydrophobicContact CB-CG2 3.89Å; L1478-V1480 PolarHBondContact O-N 3.27Å; L1478-V1480 VanDerWaalsContact O-N 3.15Å; L1478-V1487 HydrophobicContact CD1-CG1 3.85Å; L1478-V1487 HydrophobicContact CD2-CG1 4.48Å; L1478-L1489 HydrophobicContact CD1-CD2 3.76Å; L1478-L1489 HydrophobicContact CD2-CD2 3.82Å; L1478-L1489 HydrophobicContact CG-CD2 4.41Å
1479	K	42.7	Very low	44.8	Very low	191 Å²	191	91.1 Å²	91.1	83%	0.83	47%	0.47	S	S	*	.			trans	-67.1	104.3	159.8	-76.1	-165.8	167.7	-153.3	0	108.1	P1477	P1477-K1479 PolarHBondContact O-N 3.23Å; P1477-K1479 VanDerWaalsContact O-N 3.12Å
1480	V	47.4	Very low	46.1	Very low	29 Å²	29	88.8 Å²	88.8	18%	0.176	46%	0.459	C	S	.	.			trans	-115.1	91	175.6	-173.8	0	0	0	0	106.7	L1451 L1478 N1482 V1487	L1451-V1480 HydrophobicContact CD1-CG2 3.86Å; L1478-V1480 HydrophobicContact CB-CG2 3.89Å; L1478-V1480 PolarHBondContact O-N 3.27Å; L1478-V1480 VanDerWaalsContact O-N 3.15Å; V1480-N1482 WeakPolarHBondContact CG1-O 3.49Å; V1480-N1482 PolarHBondContact O-N 3.09Å; V1480-V1487 HydrophobicContact CG1-CG2 4.46Å; V1480-V1487 HydrophobicContact CG2-CG2 4.05Å
1481	D	45.2	Very low	47.8	Very low	150 Å²	150	82.6 Å²	82.6	80%	0.802	43%	0.426	S	S	*	.	S	Bend	trans	-68.9	0.9	-178.7	-52.6	-25.6	0	0	0	112.1
1482	N	50.4	Low	49	Very low	66 Å²	66	80 Å²	80	35%	0.353	41%	0.411	S	S	.	.			trans	-156.5	93.7	180	-164	3.8	0	0	0	111.3	V1480 N1484 E1485	V1480-N1482 WeakPolarHBondContact CG1-O 3.49Å; V1480-N1482 PolarHBondContact O-N 3.09Å; N1482-N1484 PolarHBondContact O-N 3.2Å; N1482-E1485 HydrophobicContact CB-CG 4.14Å; N1482-E1485 WeakPolarHBondContact CB-OE1 3.46Å; N1482-E1485 PolarHBondContact ND2-OE1 2.97Å; N1482-E1485 WeakPolarHBondContact O-CB 3.19Å; N1482-E1485 PolarHBondContact O-N 2.96Å
1483	I	52.2	Low	50.5	Low	40 Å²	40	74.4 Å²	74.4	21%	0.205	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15	-175	-64.1	159.9	0	0	0	112.9	W1387 M1442 P1449 E1485	W1387-I1483 HydrophobicContact CH2-CD1 3.97Å; W1387-I1483 HydrophobicContact CH2-CG2 4.14Å; W1387-I1483 HydrophobicContact CZ2-CD1 4.37Å; W1387-I1483 HydrophobicContact CZ3-CG2 3.99Å; M1442-I1483 HydrophobicContact CE-CD1 4.3Å; M1442-I1483 HydrophobicContact CG-CD1 4.23Å; M1442-I1483 HydrophobicContact SD-CD1 3.49Å; M1442-I1483 WeakPolarHBondContact SD-CD1 3.5Å; P1449-I1483 HydrophobicContact CG-CD1 3.51Å; P1449-I1483 HydrophobicContact CG-CG1 4.23Å; I1483-E1485 VanDerWaalsContact C-N 3.27Å; I1483-E1485 PolarHBondContact O-N 3.42Å
1484	N	51.8	Low	51.3	Low	96 Å²	96	69.7 Å²	69.7	51%	0.513	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.2	174.6	-63.3	-42.3	0	0	0	113.9	N1438 N1482	N1438-N1484 PolarHBondContact ND2-OD1 3.24Å; N1482-N1484 PolarHBondContact O-N 3.2Å
1485	E	59.7	Low	51.7	Low	115 Å²	115	66.3 Å²	66.3	54%	0.537	36%	0.357	S	S	.	.	S	Bend	trans	-88	147.2	178	-70.7	-179.4	-146.9	0	0	112.8	N1482 I1483 V1487	N1482-E1485 HydrophobicContact CB-CG 4.14Å; N1482-E1485 WeakPolarHBondContact CB-OE1 3.46Å; N1482-E1485 PolarHBondContact ND2-OE1 2.97Å; N1482-E1485 WeakPolarHBondContact O-CB 3.19Å; N1482-E1485 PolarHBondContact O-N 2.96Å; I1483-E1485 VanDerWaalsContact C-N 3.27Å; I1483-E1485 PolarHBondContact O-N 3.42Å; E1485-V1487 PolarHBondContact O-N 3.22Å
1486	P	63	Low	52.4	Low	53 Å²	53	66.7 Å²	66.7	34%	0.344	37%	0.366	S	S	.	.			trans	-66.2	128.9	176.8	28.8	-33.8	0	0	0	110.2	T1406 M1488	T1406-P1486 CarbonylContact O-C 3.44Å; T1406-P1486 VanDerWaalsContact O-CA 3.29Å; T1406-P1486 WeakPolarHBondContact O-CA 3.44Å; P1486-M1488 WeakPolarHBondContact O-CG 3.39Å; P1486-M1488 PolarHBondContact O-N 3.38Å; P1486-M1488 VanDerWaalsContact O-N 3.15Å
1487	V	61.4	Low	52.3	Low	11 Å²	11	72.3 Å²	72.3	7%	0.067	40%	0.397	C	S	.	.			trans	-75.7	108.6	-175.6	159	0	0	0	0	109.6	Q1405 T1406 L1451 L1478 V1480 E1485 L1489	Q1405-V1487 WeakPolarHBondContact CA-O 3.25Å; T1406-V1487 HydrophobicContact CG2-CB 3.55Å; T1406-V1487 HydrophobicContact CG2-CG1 3.73Å; T1406-V1487 WeakPolarHBondContact CG2-O 3.45Å; T1406-V1487 PolarHBondContact N-O 2.98Å; T1406-V1487 PolarHBondContact O-N 3.49Å; L1451-V1487 HydrophobicContact CD1-CG1 4.15Å; L1451-V1487 HydrophobicContact CD1-CG2 3.67Å; L1478-V1487 HydrophobicContact CD1-CG1 3.85Å; L1478-V1487 HydrophobicContact CD2-CG1 4.48Å; V1480-V1487 HydrophobicContact CG1-CG2 4.46Å; V1480-V1487 HydrophobicContact CG2-CG2 4.05Å; E1485-V1487 PolarHBondContact O-N 3.22Å; V1487-L1489 HydrophobicContact CG1-CD2 3.61Å; V1487-L1489 HydrophobicContact CG1-CG 4.29Å
1488	M	65	Low	52.7	Low	108 Å²	108	72.6 Å²	72.6	53%	0.532	39%	0.392	S	S	.	.			trans	-95.7	130.8	-170.9	-65.5	-62.4	-79.9	0	0	112.4	V1403 Q1405 P1486	V1403-M1488 HydrophobicContact CG1-CE 4.01Å; Q1405-M1488 HydrophobicContact CB-SD 3.54Å; Q1405-M1488 VanDerWaalsContact CB-SD 3.54Å; P1486-M1488 WeakPolarHBondContact O-CG 3.39Å; P1486-M1488 PolarHBondContact O-N 3.38Å; P1486-M1488 VanDerWaalsContact O-N 3.15Å
1489	L	59.4	Low	53	Low	0 Å²	0	81.1 Å²	81.1	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	113.1	-168.8	-41.2	174.9	0	0	0	113.4	M1392 V1403 K1404 T1453 L1478 V1487 C1491 H1539 S1540	M1392-L1489 HydrophobicContact CE-CD1 3.6Å; M1392-L1489 HydrophobicContact CG-CD1 4.17Å; M1392-L1489 HydrophobicContact SD-CD1 3.3Å; M1392-L1489 WeakPolarHBondContact SD-CD1 3.4Å; M1392-L1489 HydrophobicContact SD-CG 4.46Å; V1403-L1489 CarbonylContact C-O 3.6Å; K1404-L1489 PolarHBondContact N-O 3Å; K1404-L1489 PolarHBondContact O-N 3.46Å; T1453-L1489 HydrophobicContact CG2-CD1 4.38Å; L1478-L1489 HydrophobicContact CD1-CD2 3.76Å; L1478-L1489 HydrophobicContact CD2-CD2 3.82Å; L1478-L1489 HydrophobicContact CG-CD2 4.41Å; V1487-L1489 HydrophobicContact CG1-CD2 3.61Å; V1487-L1489 HydrophobicContact CG1-CG 4.29Å; L1489-C1491 PolarHBondContact O-N 3.41Å; L1489-H1539 HydrophobicContact CB-CB 3.61Å; L1489-H1539 HydrophobicContact CD1-CB 3.9Å; L1489-H1539 HydrophobicContact CG-CB 4.43Å; L1489-S1540 VanDerWaalsContact CD2-CB 3.44Å
1490	T	59.5	Low	53.5	Low	32 Å²	32	75.3 Å²	75.3	20%	0.196	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	123.1	-177.3	63.9	0	0	0	0	113	R1401 G1402 H1539 I1541	R1401-T1490 PolarHBondContact NH2-OG1 3.36Å; G1402-T1490 CarbonylContact O-C 3.5Å; G1402-T1490 WeakPolarHBondContact O-CA 3.45Å; T1490-H1539 PolarHBondContact O-ND1 3.19Å; T1490-I1541 WeakPolarHBondContact OG1-CB 3.36Å; T1490-I1541 WeakPolarHBondContact OG1-CG1 3.19Å; T1490-I1541 PolarHBondContact OG1-N 2.89Å
1491	C	63.9	Low	54.2	Low	0 Å²	0	75.2 Å²	75.2	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	160.6	-179.3	62	0	0	0	0	116.9	C1395 R1401 G1402 V1403 K1404 L1489 H1539	C1395-C1491 WeakPolarHBondContact CA-SG 3.26Å; C1395-C1491 HydrophobicContact CB-CB 4.09Å; C1395-C1491 WeakPolarHBondContact CB-SG 3.39Å; C1395-C1491 WeakPolarHBondContact SG-CB 3.3Å; C1395-C1491 CovalentContact SG-SG 2.03Å; C1395-C1491 PolarHBondContact SG-SG 3.41Å; R1401-C1491 CarbonylContact C-O 3.56Å; R1401-C1491 VanDerWaalsContact CA-O 3.31Å; R1401-C1491 WeakPolarHBondContact CA-O 3.23Å; R1401-C1491 WeakPolarHBondContact CG-O 3.39Å; G1402-C1491 PolarHBondContact N-O 3.48Å; G1402-C1491 PolarHBondContact O-N 3.45Å; V1403-C1491 VanDerWaalsContact CA-SG 3.51Å; V1403-C1491 PolarHBondContact N-SG 2.83Å; V1403-C1491 PolarHBondContact O-SG 2.93Å; K1404-C1491 HydrophobicContact CD-CB 4.12Å; K1404-C1491 HydrophobicContact CG-CB 3.94Å; L1489-C1491 PolarHBondContact O-N 3.41Å; C1491-H1539 WeakPolarHBondContact CA-CE1 3.48Å; C1491-H1539 VanDerWaalsContact CA-ND1 3.33Å; C1491-H1539 WeakPolarHBondContact CA-ND1 3.48Å; C1491-H1539 WeakPolarHBondContact CB-CE1 3.12Å; C1491-H1539 VanDerWaalsContact CB-NE2 3.32Å; C1491-H1539 WeakPolarHBondContact CB-NE2 3.3Å
1492	I	55.1	Low	55.2	Low	75 Å²	75	69.1 Å²	69.1	39%	0.385	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	115.6	177.2	-59.1	175.5	0	0	0	105.5	G1400 R1401 H1536 I1541	G1400-I1492 CarbonylContact O-C 3.5Å; G1400-I1492 VanDerWaalsContact O-CA 3.22Å; G1400-I1492 WeakPolarHBondContact O-CA 3.38Å; R1401-I1492 HydrophobicContact CB-CG1 4.48Å; R1401-I1492 HydrophobicContact CG-CG1 4.05Å; I1492-H1536 PolarHBondContact O-CE1 2.9Å; I1492-I1541 HydrophobicContact CD1-CD1 4.44Å
1493	E	59.3	Low	56.5	Low	48 Å²	48	67.8 Å²	67.8	22%	0.224	36%	0.362	C	S	.	.			trans	-92.8	-176.8	167.4	-67.2	-51.5	142.9	0	0	109.8	C1395 V1397 G1400 K1404	C1395-E1493 HydrophobicContact CB-CG 3.83Å; C1395-E1493 WeakPolarHBondContact CB-OE1 3.37Å; V1397-E1493 VanDerWaalsContact O-CG 3.29Å; V1397-E1493 WeakPolarHBondContact O-CG 3.49Å; G1400-E1493 PolarHBondContact O-N 3.06Å; K1404-E1493 IonicContact NZ-OE1 3.24Å; K1404-E1493 PolarHBondContact NZ-OE1 2.83Å
1494	A	50	Low	57.4	Low	56 Å²	56	66.9 Å²	66.9	46%	0.463	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-46.3	130.6	-175.8	0	0	0	0	0	112.4	C1399 G1400	C1399-A1494 WeakPolarHBondContact CA-O 3.4Å; C1399-A1494 WeakPolarHBondContact CB-O 3.25Å; G1400-A1494 PolarHBondContact N-O 3.26Å
1495	P	44.3	Very low	58.2	Low	61 Å²	61	63.3 Å²	63.3	40%	0.396	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-61.7	157.7	171.9	-25.2	36.8	0	0	0	112.2	D1497	P1495-D1497 PolarHBondContact O-N 3.24Å
1496	C	44.3	Very low	58.7	Low	82 Å²	82	60.9 Å²	60.9	55%	0.554	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-65.2	132.8	175.1	-53.6	0	0	0	0	110.4	L1498	C1496-L1498 PolarHBondContact O-N 2.79Å; C1496-L1498 VanDerWaalsContact O-N 3.08Å
1497	D	41.5	Very low	58.7	Low	162 Å²	162	63.6 Å²	63.6	87%	0.866	35%	0.351	S	S	*	.			trans	-70.4	101.5	-168.2	-173.3	17.2	0	0	0	112.8	P1495	P1495-D1497 PolarHBondContact O-N 3.24Å
1498	L	45.4	Very low	59.2	Low	114 Å²	114	65.2 Å²	65.2	60%	0.597	36%	0.356	S	S	*	.			trans	-149.4	132.1	-176.4	-69.7	173.1	0	0	0	110.5	C1496 V1500	C1496-L1498 PolarHBondContact O-N 2.79Å; C1496-L1498 VanDerWaalsContact O-N 3.08Å; L1498-V1500 HydrophobicContact CB-CG2 3.56Å; L1498-V1500 HydrophobicContact CD1-CG2 4.34Å; L1498-V1500 PolarHBondContact O-N 2.83Å
1499	R	50.5	Low	59.3	Low	215 Å²	215	62.7 Å²	62.7	81%	0.811	35%	0.349	S	S	*	.			trans	-74	89.6	161	-73.8	-170.9	-178.5	-162.8	1	108.8	P1501	R1499-P1501 VanDerWaalsContact O-CD 3.31Å; R1499-P1501 WeakPolarHBondContact O-CD 3.08Å
1500	V	53.3	Low	59.6	Low	69 Å²	69	67 Å²	67	42%	0.418	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113.9	-179.2	-177.3	0	0	0	0	109.3	L1498 E1529	L1498-V1500 HydrophobicContact CB-CG2 3.56Å; L1498-V1500 HydrophobicContact CD1-CG2 4.34Å; L1498-V1500 PolarHBondContact O-N 2.83Å; V1500-E1529 PolarHBondContact O-N 3.43Å; V1500-E1529 VanDerWaalsContact O-N 3.15Å
1501	P	63	Low	60.2	Low	26 Å²	26	66.7 Å²	66.7	17%	0.169	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	141.2	159.6	28.9	-31	0	0	0	108.6	R1499 V1527 V1528 I1561 A1565 L1567	R1499-P1501 VanDerWaalsContact O-CD 3.31Å; R1499-P1501 WeakPolarHBondContact O-CD 3.08Å; P1501-V1527 CarbonylContact C-O 3.59Å; P1501-V1527 VanDerWaalsContact CA-O 3.3Å; P1501-V1527 WeakPolarHBondContact CA-O 3.47Å; P1501-V1528 HydrophobicContact CB-CG2 4.28Å; P1501-I1561 HydrophobicContact CB-CG2 3.79Å; P1501-I1561 HydrophobicContact CG-CG2 4.46Å; P1501-A1565 HydrophobicContact CG-CB 3.55Å; P1501-L1567 HydrophobicContact CB-CD1 4.23Å; P1501-L1567 HydrophobicContact CG-CD1 4.04Å; P1501-L1567 WeakPolarHBondContact O-CD1 3.32Å
1502	A	65.4	Low	60.2	Low	22 Å²	22	70.8 Å²	70.8	18%	0.182	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	150.7	-175	0	0	0	0	0	110.6	V1527 C1562	A1502-V1527 HydrophobicContact CB-CG2 4.18Å; A1502-V1527 PolarHBondContact N-O 2.74Å; A1502-V1527 WeakPolarHBondContact O-CG2 3.48Å; A1502-V1527 PolarHBondContact O-N 2.9Å; A1502-C1562 PolarHBondContact O-SG 3.42Å; A1502-C1562 VanDerWaalsContact O-SG 3.42Å
1503	W	77.8	Confident	60.1	Low	38 Å²	38	69.4 Å²	69.4	14%	0.144	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	112.6	169.1	-66.6	110	0	0	0	109.7	V1524 C1526 C1562 H1563 L1567 P1568 M1569 P1570	W1503-V1524 HydrophobicContact CD2-CG1 4.34Å; W1503-V1524 HydrophobicContact CE3-CG1 3.56Å; W1503-V1524 HydrophobicContact CZ3-CG1 4.05Å; W1503-C1526 HydrophobicContact CE3-CB 3.92Å; W1503-C1526 HydrophobicContact CH2-CB 4.36Å; W1503-C1526 HydrophobicContact CZ3-CB 3.78Å; W1503-C1562 HydrophobicContact CD2-CB 3.84Å; W1503-C1562 HydrophobicContact CE3-CB 4.39Å; W1503-C1562 HydrophobicContact CG-CB 4.37Å; W1503-C1562 HydrophobicContact CH2-CB 4.13Å; W1503-C1562 HydrophobicContact CZ2-CB 3.51Å; W1503-H1563 AromaticContact CH2-CE1 3.72Å; W1503-H1563 AromaticContact CH2-ND1 3.9Å; W1503-H1563 AromaticContact CZ2-CE1 3.73Å; W1503-H1563 AromaticContact CZ2-ND1 3.78Å; W1503-L1567 PolarHBondContact NE1-O 3.07Å; W1503-P1568 VanDerWaalsContact CD1-O 3.25Å; W1503-M1569 HydrophobicContact CD2-CB 4.39Å; W1503-M1569 HydrophobicContact CD2-CG 4.09Å; W1503-M1569 HydrophobicContact CE3-CG 4.11Å; W1503-M1569 HydrophobicContact CH2-CB 4.31Å; W1503-M1569 HydrophobicContact CH2-CG 3.8Å; W1503-M1569 HydrophobicContact CH2-SD 3.82Å; W1503-M1569 HydrophobicContact CZ2-CB 3.78Å; W1503-M1569 HydrophobicContact CZ2-CG 3.77Å; W1503-M1569 HydrophobicContact CZ2-SD 4.23Å; W1503-M1569 HydrophobicContact CZ3-CG 3.97Å; W1503-M1569 HydrophobicContact CZ3-SD 4.17Å; W1503-P1570 HydrophobicContact CB-CG 3.5Å; W1503-P1570 HydrophobicContact CG-CG 4.21Å
1504	R	71.2	Confident	59.7	Low	21 Å²	21	72.4 Å²	72.4	8%	0.079	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	153.2	171.1	-72.9	-70.1	-176.5	170.8	-8.5	110.5	V1524 M1525 V1527 E1529 T1548 T1549	R1504-V1524 WeakPolarHBondContact O-CA 3.31Å; R1504-M1525 HydrophobicContact CB-CG 3.94Å; R1504-M1525 HydrophobicContact CB-SD 4.32Å; R1504-M1525 PolarHBondContact N-O 2.95Å; R1504-M1525 WeakPolarHBondContact O-CG 3.01Å; R1504-M1525 PolarHBondContact O-N 2.99Å; R1504-V1527 HydrophobicContact CB-CG1 3.96Å; R1504-V1527 HydrophobicContact CB-CG2 4.37Å; R1504-V1527 HydrophobicContact CG-CB 4.3Å; R1504-V1527 HydrophobicContact CG-CG1 3.82Å; R1504-V1527 HydrophobicContact CG-CG2 3.45Å; R1504-V1527 VanDerWaalsContact CG-CG2 3.45Å; R1504-E1529 IonicContact CZ-OE1 3.71Å; R1504-E1529 IonicContact CZ-OE2 3.91Å; R1504-E1529 IonicContact NE-OE1 3.36Å; R1504-E1529 PolarHBondContact NE-OE1 2.96Å; R1504-E1529 IonicContact NH2-OE1 3.56Å; R1504-E1529 PolarHBondContact NH2-OE1 3.39Å; R1504-E1529 IonicContact NH2-OE2 3.22Å; R1504-E1529 PolarHBondContact NH2-OE2 3.31Å; R1504-T1548 PolarHBondContact NH1-O 3.03Å; R1504-T1548 PolarHBondContact NH1-OG1 3.37Å; R1504-T1549 HydrophobicContact CB-CG2 4.49Å; R1504-T1549 HydrophobicContact CG-CG2 4.28Å
1505	T	70.3	Confident	59.9	Low	22 Å²	22	71.2 Å²	71.2	14%	0.135	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.3	175.9	77.9	0	0	0	0	111	R1522 K1523 V1524 P1570	T1505-R1522 PolarHBondContact OG1-NH1 2.74Å; T1505-R1522 VanDerWaalsContact OG1-NH1 3.14Å; T1505-K1523 CarbonylContact C-O 3.52Å; T1505-K1523 VanDerWaalsContact CA-O 3.24Å; T1505-K1523 WeakPolarHBondContact CA-O 3.48Å; T1505-V1524 HydrophobicContact CG2-CG2 3.88Å; T1505-P1570 HydrophobicContact CG2-CB 3.82Å; T1505-P1570 HydrophobicContact CG2-CG 4.08Å
1506	T	70	Confident	60.4	Low	64 Å²	64	68.7 Å²	68.7	39%	0.393	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-68.2	170.8	169.2	61.7	0	0	0	0	111.2	R1522 K1523	T1506-R1522 WeakPolarHBondContact O-CB 3.35Å; T1506-R1522 WeakPolarHBondContact OG1-CA 3.17Å; T1506-K1523 HydrophobicContact CG2-CB 3.84Å; T1506-K1523 PolarHBondContact N-O 3.28Å; T1506-K1523 PolarHBondContact OG1-N 2.82Å
1507	S	61.6	Low	60.9	Low	109 Å²	109	70.9 Å²	70.9	76%	0.762	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-48.8	146.3	157.6	-49.2	0	0	0	0	110.5
1508	W	72.4	Confident	61.9	Low	46 Å²	46	63.2 Å²	63.2	17%	0.174	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-64.6	145	167.5	-73.5	120.4	0	0	0	111.1	R1520 Q1521 R1522 T1571 E1572 E1574	W1508-R1520 HydrophobicContact CB-CB 4.2Å; W1508-R1520 HydrophobicContact CB-CG 4.3Å; W1508-R1520 HydrophobicContact CD2-CB 4.18Å; W1508-R1520 HydrophobicContact CD2-CG 3.62Å; W1508-R1520 VanDerWaalsContact CE3-C 3.49Å; W1508-R1520 HydrophobicContact CE3-CB 3.85Å; W1508-R1520 HydrophobicContact CE3-CG 3.56Å; W1508-R1520 HydrophobicContact CG-CB 4.37Å; W1508-R1520 VanDerWaalsContact CG-CD 3.47Å; W1508-R1520 HydrophobicContact CG-CG 3.97Å; W1508-R1520 HydrophobicContact CZ3-CG 4.09Å; W1508-R1520 WeakPolarHBondContact CZ3-O 3.24Å; W1508-Q1521 CarbonylContact C-O 3.49Å; W1508-Q1521 VanDerWaalsContact CE3-C 3.4Å; W1508-R1522 HydrophobicContact CD2-CB 4.17Å; W1508-R1522 HydrophobicContact CD2-CG 4.21Å; W1508-R1522 HydrophobicContact CE3-CB 3.65Å; W1508-R1522 HydrophobicContact CE3-CG 3.72Å; W1508-R1522 VanDerWaalsContact CH2-CD 3.47Å; W1508-R1522 HydrophobicContact CH2-CG 3.77Å; W1508-R1522 VanDerWaalsContact CZ2-CD 3.46Å; W1508-R1522 HydrophobicContact CZ2-CG 4.26Å; W1508-R1522 HydrophobicContact CZ3-CB 3.91Å; W1508-R1522 HydrophobicContact CZ3-CG 3.48Å; W1508-R1522 VanDerWaalsContact CZ3-CG 3.48Å; W1508-T1571 WeakPolarHBondContact CH2-O 3.27Å; W1508-E1572 WeakPolarHBondContact CZ3-O 3.06Å; W1508-E1574 HydrophobicContact CH2-CB 3.31Å; W1508-E1574 HydrophobicContact CZ2-CB 3.5Å; W1508-E1574 VanDerWaalsContact CZ2-CB 3.5Å; W1508-E1574 HydrophobicContact CZ2-CG 4.32Å; W1508-E1574 WeakPolarHBondContact CZ2-OE2 3.47Å; W1508-E1574 HydrophobicContact CZ3-CB 3.98Å; W1508-E1574 PolarHBondContact NE1-OE2 3.43Å
1509	S	67.8	Low	62.7	Low	55 Å²	55	59.7 Å²	59.7	39%	0.385	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-59.9	165.2	163.3	71.2	0	0	0	0	111	Q1521	S1509-Q1521 PolarHBondContact N-O 2.93Å; S1509-Q1521 PolarHBondContact OG-N 3.1Å
1510	A	64.4	Low	63.6	Low	89 Å²	89	52.2 Å²	52.2	74%	0.736	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-50.6	145.5	157.1	0	0	0	0	0	109.9	S1512	A1510-S1512 PolarHBondContact O-N 2.99Å
1511	C	72.1	Confident	64.4	Low	27 Å²	27	54.9 Å²	54.9	18%	0.182	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-62.5	132.2	175.7	-166.5	0	0	0	0	109.2	S1513 G1518 C1576 E1578	C1511-S1513 PolarHBondContact O-N 3.12Å; C1511-G1518 VanDerWaalsContact SG-CA 3.55Å; C1511-C1576 WeakPolarHBondContact CA-SG 3.35Å; C1511-C1576 HydrophobicContact CB-CB 3.99Å; C1511-C1576 WeakPolarHBondContact CB-SG 3.16Å; C1511-C1576 WeakPolarHBondContact SG-CB 3.31Å; C1511-C1576 CovalentContact SG-SG 2.03Å; C1511-C1576 PolarHBondContact SG-SG 3.17Å; C1511-E1578 HydrophobicContact CB-CG 3.95Å
1512	S	63.7	Low	64.5	Low	85 Å²	85	55.5 Å²	55.5	59%	0.594	34%	0.335	S	S	*	.	S	Bend	trans	-65.8	-3.6	-174	76.2	0	0	0	0	114.9	A1510 V1519	A1510-S1512 PolarHBondContact O-N 2.99Å; S1512-V1519 VanDerWaalsContact CB-O 3.26Å; S1512-V1519 WeakPolarHBondContact CB-O 3.47Å; S1512-V1519 PolarHBondContact N-O 2.89Å; S1512-V1519 PolarHBondContact OG-N 3.41Å
1513	S	53.7	Low	64.7	Low	46 Å²	46	61.4 Å²	61.4	32%	0.322	36%	0.356	S	S	.	.	S	Bend	trans	-138.4	132.8	176.4	-56.1	0	0	0	0	107.2	C1511 C1515	C1511-S1513 PolarHBondContact O-N 3.12Å; S1513-C1515 VanDerWaalsContact CB-O 3.32Å; S1513-C1515 WeakPolarHBondContact CB-O 3.45Å; S1513-C1515 PolarHBondContact O-N 2.92Å
1514	S	50.2	Low	64.7	Low	111 Å²	111	60.6 Å²	60.6	78%	0.776	36%	0.356	S	S	*	.	S	Bend	trans	-79	10.5	179.4	51.7	0	0	0	0	114.1
1515	C	54.8	Low	64.9	Low	31 Å²	31	62.6 Å²	62.6	21%	0.209	37%	0.367	C	S	.	.	S	Bend	trans	-161.3	158.2	172.5	65.9	0	0	0	0	109.4	S1513 A1579 C1581	S1513-C1515 VanDerWaalsContact CB-O 3.32Å; S1513-C1515 WeakPolarHBondContact CB-O 3.45Å; S1513-C1515 PolarHBondContact O-N 2.92Å; C1515-A1579 WeakPolarHBondContact CA-O 3.34Å; C1515-A1579 VanDerWaalsContact CB-O 3.32Å; C1515-A1579 WeakPolarHBondContact CB-O 3.41Å; C1515-C1581 HydrophobicContact CB-CB 3.92Å; C1515-C1581 WeakPolarHBondContact CB-SG 2.98Å; C1515-C1581 PolarHBondContact O-SG 2.81Å; C1515-C1581 VanDerWaalsContact SG-CA 3.52Å; C1515-C1581 WeakPolarHBondContact SG-CB 3.28Å; C1515-C1581 CovalentContact SG-SG 2.05Å; C1515-C1581 PolarHBondContact SG-SG 3.42Å
1516	G	54.4	Low	65.4	Low	8 Å²	8	61.8 Å²	61.8	8%	0.082	36%	0.362	C	S	.	.	S	Bend	trans	62.2	-149.5	172.2	0	0	0	0	0	115	G1518 L1577 E1578 A1579	G1516-G1518 PolarHBondContact O-N 3.4Å; G1516-L1577 WeakPolarHBondContact O-CA 3.35Å; G1516-E1578 PolarHBondContact N-O 2.79Å; G1516-E1578 PolarHBondContact O-N 2.86Å; G1516-A1579 PolarHBondContact N-O 2.02Å
1517	L	55.3	Low	65.5	Low	128 Å²	128	58.8 Å²	58.8	67%	0.67	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	94.5	178.1	-81.9	168.2	0	0	0	110.5	T1575 L1577	L1517-T1575 HydrophobicContact CD2-CG2 4.46Å; L1517-L1577 HydrophobicContact CD2-CD1 3.76Å; L1517-L1577 HydrophobicContact CG-CD1 3.74Å
1518	G	63.2	Low	65.5	Low	1 Å²	1	54.7 Å²	54.7	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	179.3	161.8	0	0	0	0	0	111.8	C1511 G1516 T1575 C1576	C1511-G1518 VanDerWaalsContact SG-CA 3.55Å; G1516-G1518 PolarHBondContact O-N 3.4Å; G1518-T1575 WeakPolarHBondContact O-CA 3.46Å; G1518-C1576 PolarHBondContact N-O 3.44Å; G1518-C1576 PolarHBondContact O-N 3Å; G1518-C1576 VanDerWaalsContact O-O 3.13Å; G1518-C1576 PolarHBondContact O-SG 2.98Å
1519	V	61.1	Low	64.6	Low	40 Å²	40	53.7 Å²	53.7	24%	0.242	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.5	175	177.5	0	0	0	0	108.3	S1512 Q1521 Q1573	S1512-V1519 VanDerWaalsContact CB-O 3.26Å; S1512-V1519 WeakPolarHBondContact CB-O 3.47Å; S1512-V1519 PolarHBondContact N-O 2.89Å; S1512-V1519 PolarHBondContact OG-N 3.41Å; V1519-Q1521 HydrophobicContact CG1-CG 4.3Å; V1519-Q1573 HydrophobicContact CG1-CG 3.29Å
1520	R	70.9	Confident	63.7	Low	59 Å²	59	53.4 Å²	53.4	22%	0.223	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	141.1	165.8	58.5	-177.9	-171	-171.9	0.8	109.4	W1508 E1574 C1576	W1508-R1520 HydrophobicContact CB-CB 4.2Å; W1508-R1520 HydrophobicContact CB-CG 4.3Å; W1508-R1520 HydrophobicContact CD2-CB 4.18Å; W1508-R1520 HydrophobicContact CD2-CG 3.62Å; W1508-R1520 VanDerWaalsContact CE3-C 3.49Å; W1508-R1520 HydrophobicContact CE3-CB 3.85Å; W1508-R1520 HydrophobicContact CE3-CG 3.56Å; W1508-R1520 HydrophobicContact CG-CB 4.37Å; W1508-R1520 VanDerWaalsContact CG-CD 3.47Å; W1508-R1520 HydrophobicContact CG-CG 3.97Å; W1508-R1520 HydrophobicContact CZ3-CG 4.09Å; W1508-R1520 WeakPolarHBondContact CZ3-O 3.24Å; R1520-E1574 HydrophobicContact CG-CB 4.07Å; R1520-E1574 IonicContact CZ-OE2 3.71Å; R1520-E1574 PolarHBondContact N-O 3.45Å; R1520-E1574 IonicContact NE-OE2 3.71Å; R1520-E1574 PolarHBondContact NE-OE2 2.9Å; R1520-E1574 VanDerWaalsContact NH2-CD 3.27Å; R1520-E1574 IonicContact NH2-OE1 3.48Å; R1520-E1574 PolarHBondContact NH2-OE1 2.79Å; R1520-E1574 IonicContact NH2-OE2 3.67Å; R1520-E1574 PolarHBondContact NH2-OE2 3.39Å; R1520-E1574 PolarHBondContact O-N 3.11Å; R1520-C1576 HydrophobicContact CB-CB 4.33Å; R1520-C1576 HydrophobicContact CG-CB 3.9Å; R1520-C1576 PolarHBondContact N-SG 2.98Å; R1520-C1576 VanDerWaalsContact N-SG 3.35Å
1521	Q	68.2	Low	62.6	Low	124 Å²	124	53 Å²	53	58%	0.579	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	141.4	-177.1	-67.7	-177.4	-26.3	0	0	110.6	W1508 S1509 V1519 E1572	W1508-Q1521 CarbonylContact C-O 3.49Å; W1508-Q1521 VanDerWaalsContact CE3-C 3.4Å; S1509-Q1521 PolarHBondContact N-O 2.93Å; S1509-Q1521 PolarHBondContact OG-N 3.1Å; V1519-Q1521 HydrophobicContact CG1-CG 4.3Å; Q1521-E1572 CarbonylContact C-O 3.49Å; Q1521-E1572 WeakPolarHBondContact CA-O 3.37Å
1522	R	65.1	Low	60.7	Low	40 Å²	40	59.6 Å²	59.6	15%	0.151	32%	0.323	C	S	.	.			trans	-142	145.3	171.3	68.7	-169.1	173.6	174.6	-20.7	108.9	T1505 T1506 W1508 T1571 E1572	T1505-R1522 PolarHBondContact OG1-NH1 2.74Å; T1505-R1522 VanDerWaalsContact OG1-NH1 3.14Å; T1506-R1522 WeakPolarHBondContact O-CB 3.35Å; T1506-R1522 WeakPolarHBondContact OG1-CA 3.17Å; W1508-R1522 HydrophobicContact CD2-CB 4.17Å; W1508-R1522 HydrophobicContact CD2-CG 4.21Å; W1508-R1522 HydrophobicContact CE3-CB 3.65Å; W1508-R1522 HydrophobicContact CE3-CG 3.72Å; W1508-R1522 VanDerWaalsContact CH2-CD 3.47Å; W1508-R1522 HydrophobicContact CH2-CG 3.77Å; W1508-R1522 VanDerWaalsContact CZ2-CD 3.46Å; W1508-R1522 HydrophobicContact CZ2-CG 4.26Å; W1508-R1522 HydrophobicContact CZ3-CB 3.91Å; W1508-R1522 HydrophobicContact CZ3-CG 3.48Å; W1508-R1522 VanDerWaalsContact CZ3-CG 3.48Å; R1522-T1571 PolarHBondContact NE-O 2.87Å; R1522-T1571 PolarHBondContact NH2-O 3.23Å; R1522-T1571 PolarHBondContact NH2-OG1 2.83Å; R1522-E1572 PolarHBondContact N-O 2.81Å; R1522-E1572 WeakPolarHBondContact O-CA 3.22Å; R1522-E1572 WeakPolarHBondContact O-CB 3.44Å; R1522-E1572 VanDerWaalsContact O-O 3.13Å
1523	K	71.3	Confident	59.1	Low	146 Å²	146	59.4 Å²	59.4	64%	0.635	33%	0.327	S	S	*	.			trans	-69	135.5	167.9	-84.8	-177.7	171	-176.7	0	109	T1505 T1506	T1505-K1523 CarbonylContact C-O 3.52Å; T1505-K1523 VanDerWaalsContact CA-O 3.24Å; T1505-K1523 WeakPolarHBondContact CA-O 3.48Å; T1506-K1523 HydrophobicContact CG2-CB 3.84Å; T1506-K1523 PolarHBondContact N-O 3.28Å; T1506-K1523 PolarHBondContact OG1-N 2.82Å
1524	V	76.2	Confident	57.9	Low	21 Å²	21	64.4 Å²	64.4	13%	0.127	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	145.8	164.2	172.7	0	0	0	0	108.5	W1503 R1504 T1505 M1569 P1570 E1572	W1503-V1524 HydrophobicContact CD2-CG1 4.34Å; W1503-V1524 HydrophobicContact CE3-CG1 3.56Å; W1503-V1524 HydrophobicContact CZ3-CG1 4.05Å; R1504-V1524 WeakPolarHBondContact O-CA 3.31Å; T1505-V1524 HydrophobicContact CG2-CG2 3.88Å; V1524-M1569 HydrophobicContact CG1-CG 4.1Å; V1524-P1570 HydrophobicContact CG2-CB 4.18Å; V1524-P1570 WeakPolarHBondContact CG2-O 3.04Å; V1524-E1572 HydrophobicContact CB-CG 3.68Å; V1524-E1572 HydrophobicContact CG2-CB 4.34Å; V1524-E1572 HydrophobicContact CG2-CG 3.5Å; V1524-E1572 VanDerWaalsContact CG2-CG 3.5Å; V1524-E1572 PolarHBondContact N-OE1 2.98Å
1525	M	75.7	Confident	56.9	Low	63 Å²	63	67.1 Å²	67.1	31%	0.31	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	131	179.4	36.4	170.1	55.1	0	0	109.7	R1504 V1527 V1556	R1504-M1525 HydrophobicContact CB-CG 3.94Å; R1504-M1525 HydrophobicContact CB-SD 4.32Å; R1504-M1525 PolarHBondContact N-O 2.95Å; R1504-M1525 WeakPolarHBondContact O-CG 3.01Å; R1504-M1525 PolarHBondContact O-N 2.99Å; M1525-V1527 HydrophobicContact CG-CG1 4.45Å; M1525-V1527 HydrophobicContact SD-CG1 4.45Å; M1525-V1556 HydrophobicContact CB-CG1 4.47Å; M1525-V1556 HydrophobicContact CE-CG2 4.33Å; M1525-V1556 HydrophobicContact SD-CG2 4.32Å
1526	C	80.7	Confident	55.9	Low	5 Å²	5	71.1 Å²	71.1	3%	0.034	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	133.6	168.2	-177.8	0	0	0	0	108.7	W1503 V1557 C1562	W1503-C1526 HydrophobicContact CE3-CB 3.92Å; W1503-C1526 HydrophobicContact CH2-CB 4.36Å; W1503-C1526 HydrophobicContact CZ3-CB 3.78Å; C1526-V1557 HydrophobicContact CB-CG2 4.39Å; C1526-V1557 PolarHBondContact O-N 3.24Å; C1526-V1557 VanDerWaalsContact O-N 3.1Å; C1526-V1557 VanDerWaalsContact SG-CG2 3.57Å; C1526-C1562 VanDerWaalsContact CA-SG 3.52Å; C1526-C1562 HydrophobicContact CB-CB 3.92Å; C1526-C1562 WeakPolarHBondContact CB-SG 3.43Å; C1526-C1562 WeakPolarHBondContact SG-CB 3.36Å; C1526-C1562 PolarHBondContact SG-N 3.04Å; C1526-C1562 CovalentContact SG-SG 2.04Å; C1526-C1562 PolarHBondContact SG-SG 2.84Å
1527	V	73.3	Confident	54.8	Low	0 Å²	0	76.3 Å²	76.3	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.7	178.7	-49.4	0	0	0	0	110.1	P1501 A1502 R1504 M1525 E1529 I1554 E1555 V1556	P1501-V1527 CarbonylContact C-O 3.59Å; P1501-V1527 VanDerWaalsContact CA-O 3.3Å; P1501-V1527 WeakPolarHBondContact CA-O 3.47Å; A1502-V1527 HydrophobicContact CB-CG2 4.18Å; A1502-V1527 PolarHBondContact N-O 2.74Å; A1502-V1527 WeakPolarHBondContact O-CG2 3.48Å; A1502-V1527 PolarHBondContact O-N 2.9Å; R1504-V1527 HydrophobicContact CB-CG1 3.96Å; R1504-V1527 HydrophobicContact CB-CG2 4.37Å; R1504-V1527 HydrophobicContact CG-CB 4.3Å; R1504-V1527 HydrophobicContact CG-CG1 3.82Å; R1504-V1527 HydrophobicContact CG-CG2 3.45Å; R1504-V1527 VanDerWaalsContact CG-CG2 3.45Å; M1525-V1527 HydrophobicContact CG-CG1 4.45Å; M1525-V1527 HydrophobicContact SD-CG1 4.45Å; V1527-E1529 HydrophobicContact CG2-CG 4.06Å; V1527-I1554 HydrophobicContact CB-CG2 3.62Å; V1527-I1554 HydrophobicContact CG1-CG2 3.48Å; V1527-I1554 VanDerWaalsContact CG1-CG2 3.48Å; V1527-I1554 HydrophobicContact CG2-CG2 3.97Å; V1527-E1555 CarbonylContact C-O 3.59Å; V1527-E1555 WeakPolarHBondContact CA-O 3.12Å; V1527-E1555 WeakPolarHBondContact CB-O 3.23Å; V1527-V1556 HydrophobicContact CG1-CG2 4.33Å
1528	V	60.4	Low	53.6	Low	24 Å²	24	77.3 Å²	77.3	15%	0.145	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.2	160.9	169.6	0	0	0	0	107.8	P1501 T1530 N1553 E1555 V1557 I1561	P1501-V1528 HydrophobicContact CB-CG2 4.28Å; V1528-T1530 HydrophobicContact CG1-CG2 4.27Å; V1528-N1553 VanDerWaalsContact O-O 3.07Å; V1528-E1555 PolarHBondContact N-O 2.93Å; V1528-E1555 PolarHBondContact O-N 2.9Å; V1528-V1557 HydrophobicContact CB-CG1 4.16Å; V1528-V1557 HydrophobicContact CG2-CG1 3.88Å; V1528-V1557 HydrophobicContact CG2-CG2 3.91Å; V1528-I1561 HydrophobicContact CG2-CG2 4.2Å
1529	E	53.7	Low	52	Low	25 Å²	25	78.1 Å²	78.1	12%	0.117	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116	176.6	-77.9	173	-137.9	0	0	110.3	V1500 R1504 V1527 F1552 I1554	V1500-E1529 PolarHBondContact O-N 3.43Å; V1500-E1529 VanDerWaalsContact O-N 3.15Å; R1504-E1529 IonicContact CZ-OE1 3.71Å; R1504-E1529 IonicContact CZ-OE2 3.91Å; R1504-E1529 IonicContact NE-OE1 3.36Å; R1504-E1529 PolarHBondContact NE-OE1 2.96Å; R1504-E1529 IonicContact NH2-OE1 3.56Å; R1504-E1529 PolarHBondContact NH2-OE1 3.39Å; R1504-E1529 IonicContact NH2-OE2 3.22Å; R1504-E1529 PolarHBondContact NH2-OE2 3.31Å; V1527-E1529 HydrophobicContact CG2-CG 4.06Å; E1529-F1552 HydrophobicContact CB-CB 4.42Å; E1529-F1552 HydrophobicContact CB-CD2 4.49Å; E1529-F1552 HydrophobicContact CB-CG 4.47Å; E1529-F1552 HydrophobicContact CG-CB 4.26Å; E1529-F1552 HydrophobicContact CG-CD2 4.15Å; E1529-F1552 HydrophobicContact CG-CG 4.43Å; E1529-F1552 WeakPolarHBondContact OE2-CD2 3.48Å; E1529-F1552 VanDerWaalsContact OE2-CE2 3.29Å; E1529-F1552 WeakPolarHBondContact OE2-CE2 3.12Å; E1529-I1554 HydrophobicContact CG-CG1 4.26Å
1530	T	49.1	Very low	50.5	Low	48 Å²	48	76.8 Å²	76.8	29%	0.294	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.4	170.3	53.4	0	0	0	0	110	V1528 N1553	V1528-T1530 HydrophobicContact CG1-CG2 4.27Å; T1530-N1553 PolarHBondContact N-O 3.39Å; T1530-N1553 PolarHBondContact O-N 3.31Å; T1530-N1553 VanDerWaalsContact O-N 3.15Å; T1530-N1553 WeakPolarHBondContact OG1-CB 2.98Å; T1530-N1553 PolarHBondContact OG1-O 2.69Å
1531	Q	40.9	Very low	48.6	Very low	81 Å²	81	77.3 Å²	77.3	38%	0.379	39%	0.388	S	S	.	.			trans	-104.4	140	-175.3	-48	-159.9	8.5	0	0	110.4	F1552	Q1531-F1552 HydrophobicContact CB-CD1 4.29Å; Q1531-F1552 HydrophobicContact CB-CE1 4.31Å; Q1531-F1552 HydrophobicContact CG-CD1 3.77Å; Q1531-F1552 HydrophobicContact CG-CE1 3.65Å
1532	N	33.5	Very low	46.6	Very low	165 Å²	165	77.1 Å²	77.1	88%	0.882	40%	0.4	S	S	*	.			trans	-140.6	146	170.5	-103.5	-35.5	0	0	0	108.8
1533	A	29.2	Very low	44.8	Very low	82 Å²	82	80.6 Å²	80.6	68%	0.678	41%	0.414	S	S	*	.			trans	-83.6	171.7	-161.4	0	0	0	0	0	115.3
1534	N	28.5	Very low	42.7	Very low	150 Å²	150	75.5 Å²	75.5	80%	0.802	40%	0.395	S	S	*	.			trans	85.1	80.3	164.3	-51	-36.1	0	0	0	118.3
1535	L	29.8	Very low	40.4	Very low	168 Å²	168	76.9 Å²	76.9	88%	0.88	41%	0.406	S	S	*	.			trans	-174.1	78.1	144.1	-103.9	156.5	0	0	0	111.1
1536	H	33.7	Very low	38	Very low	115 Å²	115	78 Å²	78	53%	0.532	41%	0.413	S	S	.	.			trans	-113.7	120.7	-176	-94.7	-127.6	0	0	0	113.2	I1492	I1492-H1536 PolarHBondContact O-CE1 2.9Å
1537	K	31.5	Very low	35.3	Very low	118 Å²	118	85.1 Å²	85.1	51%	0.513	44%	0.443	S	S	.	.			trans	178.8	58.8	139.8	-97.9	164.1	-177	-178.4	0	113.9	K1455	K1455-K1537 WeakPolarHBondContact CA-O 3.38Å
1538	R	29.9	Very low	33.1	Very low	149 Å²	149	88.7 Å²	88.7	56%	0.562	47%	0.465	S	S	*	.			trans	-58.6	173.7	154.5	-77.1	179.3	154.9	-177.2	-11.7	110.1	K1455 E1474	K1455-R1538 HydrophobicContact CD-CG 4.37Å; K1455-R1538 HydrophobicContact CG-CG 4.18Å; E1474-R1538 VanDerWaalsContact CD-NH2 3.3Å; E1474-R1538 IonicContact OE1-NH2 3.44Å; E1474-R1538 PolarHBondContact OE1-NH2 3.18Å; E1474-R1538 IonicContact OE2-CZ 2.81Å; E1474-R1538 IonicContact OE2-NE 2.8Å; E1474-R1538 IonicContact OE2-NH2 2.61Å; E1474-R1538 PolarHBondContact OE2-NH2 3.34Å
1539	H	29.1	Very low	31.4	Very low	17 Å²	17	92.2 Å²	92.2	8%	0.079	49%	0.487	C	S	.	.				-174.2	158.7	128.2	-92.3	-33.1	0	0	0	118.8	K1404 I1476 L1489 T1490 C1491	K1404-H1539 WeakPolarHBondContact CD-CD2 3.43Å; K1404-H1539 PolarHBondContact NZ-CD2 2.79Å; K1404-H1539 PolarHBondContact NZ-NE2 3.02Å; I1476-H1539 WeakPolarHBondContact CD1-O 3.19Å; L1489-H1539 HydrophobicContact CB-CB 3.61Å; L1489-H1539 HydrophobicContact CD1-CB 3.9Å; L1489-H1539 HydrophobicContact CG-CB 4.43Å; T1490-H1539 PolarHBondContact O-ND1 3.19Å; C1491-H1539 WeakPolarHBondContact CA-CE1 3.48Å; C1491-H1539 VanDerWaalsContact CA-ND1 3.33Å; C1491-H1539 WeakPolarHBondContact CA-ND1 3.48Å; C1491-H1539 WeakPolarHBondContact CB-CE1 3.12Å; C1491-H1539 VanDerWaalsContact CB-NE2 3.32Å; C1491-H1539 WeakPolarHBondContact CB-NE2 3.3Å
1540	S	29.1	Very low	30.2	Very low	13 Å²	13	93.8 Å²	93.8	9%	0.091	50%	0.501	C	S	.	.			trans	91.5	137.3	-173.6	67.6	0	0	0	0	117.2	I1476 L1489	I1476-S1540 WeakPolarHBondContact CD1-O 3.36Å; I1476-S1540 VanDerWaalsContact CG2-OG 3.29Å; I1476-S1540 WeakPolarHBondContact CG2-OG 3.48Å; L1489-S1540 VanDerWaalsContact CD2-CB 3.44Å
1541	I	31.2	Very low	29.3	Very low	70 Å²	70	103.5 Å²	103.5	36%	0.359	53%	0.532	S	S	.	.			trans	-155.1	125	-177.1	-51	170.5	0	0	0	107.5	T1490 I1492 Y1543	T1490-I1541 WeakPolarHBondContact OG1-CB 3.36Å; T1490-I1541 WeakPolarHBondContact OG1-CG1 3.19Å; T1490-I1541 PolarHBondContact OG1-N 2.89Å; I1492-I1541 HydrophobicContact CD1-CD1 4.44Å; I1541-Y1543 HydrophobicContact CG2-CD1 4.14Å; I1541-Y1543 HydrophobicContact CG2-CD2 3.92Å; I1541-Y1543 HydrophobicContact CG2-CE1 4.35Å; I1541-Y1543 HydrophobicContact CG2-CE2 4.17Å; I1541-Y1543 HydrophobicContact CG2-CG 3.88Å
1542	S	26.1	Very low	29	Very low	120 Å²	120	102.5 Å²	102.5	84%	0.839	53%	0.526	S	S	*	.			trans	-152.2	73.7	144.5	-167.1	0	0	0	0	106.9
1543	Y	27.4	Very low	29.4	Very low	112 Å²	112	100.5 Å²	100.5	44%	0.439	52%	0.515	S	S	.	.				113.6	161.4	69.9	-117.2	-58	0	0	0	106.2	R1401 I1541 S1628	R1401-Y1543 PolarHBondContact NH1-OH 2.61Å; I1541-Y1543 HydrophobicContact CG2-CD1 4.14Å; I1541-Y1543 HydrophobicContact CG2-CD2 3.92Å; I1541-Y1543 HydrophobicContact CG2-CE1 4.35Å; I1541-Y1543 HydrophobicContact CG2-CE2 4.17Å; I1541-Y1543 HydrophobicContact CG2-CG 3.88Å; Y1543-S1628 PolarHBondContact O-OG 2.85Å
1544	T	27.9	Very low	30.1	Very low	39 Å²	39	98.7 Å²	98.7	24%	0.239	49%	0.494	C	S	.	.			trans	72	115.2	173.7	80.2	0	0	0	0	114.4	E1625 D1626 D1627 S1628	T1544-E1625 WeakPolarHBondContact CG2-O 3.26Å; T1544-D1626 WeakPolarHBondContact CA-OD1 3.45Å; T1544-D1626 VanDerWaalsContact CG2-CA 3.48Å; T1544-D1627 VanDerWaalsContact CB-N 3.34Å; T1544-S1628 PolarHBondContact O-OG 3.06Å; T1544-S1628 WeakPolarHBondContact OG1-CB 3.47Å; T1544-S1628 PolarHBondContact OG1-N 2.81Å; T1544-S1628 PolarHBondContact OG1-OG 3.42Å; T1544-S1628 VanDerWaalsContact OG1-OG 3.13Å
1545	S	27.1	Very low	31.3	Very low	50 Å²	50	97.7 Å²	97.7	35%	0.35	49%	0.485	S	S	.	.			cis	-145.5	166.7	14.4	58.7	0	0	0	0	114.7	D1626	S1545-D1626 WeakPolarHBondContact CA-OD1 3.38Å; S1545-D1626 WeakPolarHBondContact CA-OD2 3.21Å; S1545-D1626 VanDerWaalsContact CB-O 3.25Å; S1545-D1626 WeakPolarHBondContact CB-O 3.43Å; S1545-D1626 WeakPolarHBondContact CB-OD2 3.36Å
1546	I	26	Very low	32.8	Very low	88 Å²	88	94.1 Å²	94.1	45%	0.451	47%	0.469	S	S	.	.			trans	35.7	89.3	158.6	-59.5	169.9	0	0	0	115.3	D1626	I1546-D1626 PolarHBondContact N-OD2 2.92Å
1547	F	25	Very low	34.4	Very low	153 Å²	153	90 Å²	90	67%	0.671	45%	0.452	S	S	*	.				56.7	142.1	80.8	-71.9	-116.3	0	0	0	116.9
1548	T	25.4	Very low	36.4	Very low	75 Å²	75	88.9 Å²	88.9	46%	0.46	45%	0.452	S	S	.	.			cis	-170.1	145.6	-37.5	35.8	0	0	0	0	108.8	R1504	R1504-T1548 PolarHBondContact NH1-O 3.03Å; R1504-T1548 PolarHBondContact NH1-OG1 3.37Å
1549	T	26	Very low	38.3	Very low	99 Å²	99	84.5 Å²	84.5	61%	0.607	44%	0.444	S	S	*	.			trans	-150.7	93.1	150.7	27.4	0	0	0	0	110.4	R1504 I1554	R1504-T1549 HydrophobicContact CB-CG2 4.49Å; R1504-T1549 HydrophobicContact CG-CG2 4.28Å; T1549-I1554 HydrophobicContact CG2-CD1 3.88Å
1550	S	27.2	Very low	40.3	Very low	58 Å²	58	89.1 Å²	89.1	41%	0.406	47%	0.466	S	S	.	.			trans	-78.6	163.3	174.4	41.5	0	0	0	0	112.2	F1552 I1554	S1550-F1552 PolarHBondContact O-N 2.94Å; S1550-F1552 VanDerWaalsContact OG-CD2 3.26Å; S1550-F1552 WeakPolarHBondContact OG-CD2 3.44Å; S1550-F1552 WeakPolarHBondContact OG-CE2 3.24Å; S1550-I1554 VanDerWaalsContact O-CD1 3.29Å; S1550-I1554 WeakPolarHBondContact O-CD1 3.28Å
1551	R	31.8	Very low	42.3	Very low	252 Å²	252	91.8 Å²	91.8	95%	0.951	48%	0.479	S	S	*	.	S	Bend	trans	-71.5	57.9	173.5	-62.6	179.2	-178.1	160.8	-1.2	113
1552	F	34.8	Very low	44.3	Very low	60 Å²	60	88.5 Å²	88.5	26%	0.263	46%	0.461	S	S	.	.	S	Bend	trans	-74.4	164.3	149.7	-62	-61.3	0	0	0	108.2	E1529 Q1531 S1550 I1554	E1529-F1552 HydrophobicContact CB-CB 4.42Å; E1529-F1552 HydrophobicContact CB-CD2 4.49Å; E1529-F1552 HydrophobicContact CB-CG 4.47Å; E1529-F1552 HydrophobicContact CG-CB 4.26Å; E1529-F1552 HydrophobicContact CG-CD2 4.15Å; E1529-F1552 HydrophobicContact CG-CG 4.43Å; E1529-F1552 WeakPolarHBondContact OE2-CD2 3.48Å; E1529-F1552 VanDerWaalsContact OE2-CE2 3.29Å; E1529-F1552 WeakPolarHBondContact OE2-CE2 3.12Å; Q1531-F1552 HydrophobicContact CB-CD1 4.29Å; Q1531-F1552 HydrophobicContact CB-CE1 4.31Å; Q1531-F1552 HydrophobicContact CG-CD1 3.77Å; Q1531-F1552 HydrophobicContact CG-CE1 3.65Å; S1550-F1552 PolarHBondContact O-N 2.94Å; S1550-F1552 VanDerWaalsContact OG-CD2 3.26Å; S1550-F1552 WeakPolarHBondContact OG-CD2 3.44Å; S1550-F1552 WeakPolarHBondContact OG-CE2 3.24Å; F1552-I1554 HydrophobicContact CB-CG1 3.89Å; F1552-I1554 PolarHBondContact O-N 2.77Å
1553	N	41.4	Very low	46.6	Very low	122 Å²	122	87.4 Å²	87.4	65%	0.652	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	87	157.2	-98.9	3.9	0	0	0	106.3	V1528 T1530 E1555	V1528-N1553 VanDerWaalsContact O-O 3.07Å; T1530-N1553 PolarHBondContact N-O 3.39Å; T1530-N1553 PolarHBondContact O-N 3.31Å; T1530-N1553 VanDerWaalsContact O-N 3.15Å; T1530-N1553 WeakPolarHBondContact OG1-CB 2.98Å; T1530-N1553 PolarHBondContact OG1-O 2.69Å; N1553-E1555 VanDerWaalsContact C-N 3.35Å; N1553-E1555 PolarHBondContact O-N 2.86Å
1554	I	44.2	Very low	48.8	Very low	45 Å²	45	88.1 Å²	88.1	23%	0.231	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	86.3	174.1	-62.2	-171	0	0	0	106.5	V1527 E1529 T1549 S1550 F1552 V1556	V1527-I1554 HydrophobicContact CB-CG2 3.62Å; V1527-I1554 HydrophobicContact CG1-CG2 3.48Å; V1527-I1554 VanDerWaalsContact CG1-CG2 3.48Å; V1527-I1554 HydrophobicContact CG2-CG2 3.97Å; E1529-I1554 HydrophobicContact CG-CG1 4.26Å; T1549-I1554 HydrophobicContact CG2-CD1 3.88Å; S1550-I1554 VanDerWaalsContact O-CD1 3.29Å; S1550-I1554 WeakPolarHBondContact O-CD1 3.28Å; F1552-I1554 HydrophobicContact CB-CG1 3.89Å; F1552-I1554 PolarHBondContact O-N 2.77Å; I1554-V1556 PolarHBondContact O-N 2.91Å
1555	E	53.1	Low	50.6	Low	129 Å²	129	88.4 Å²	88.4	60%	0.603	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	116.3	171.8	-170	167.6	-147.2	0	0	107.6	V1527 V1528 N1553 V1557	V1527-E1555 CarbonylContact C-O 3.59Å; V1527-E1555 WeakPolarHBondContact CA-O 3.12Å; V1527-E1555 WeakPolarHBondContact CB-O 3.23Å; V1528-E1555 PolarHBondContact N-O 2.93Å; V1528-E1555 PolarHBondContact O-N 2.9Å; N1553-E1555 VanDerWaalsContact C-N 3.35Å; N1553-E1555 PolarHBondContact O-N 2.86Å; E1555-V1557 HydrophobicContact CB-CG1 4.26Å; E1555-V1557 HydrophobicContact CG-CG1 3.96Å; E1555-V1557 PolarHBondContact O-N 2.8Å
1556	V	60.4	Low	52.8	Low	92 Å²	92	93.7 Å²	93.7	56%	0.558	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	109.2	172.9	179.2	0	0	0	0	107	M1525 V1527 I1554	M1525-V1556 HydrophobicContact CB-CG1 4.47Å; M1525-V1556 HydrophobicContact CE-CG2 4.33Å; M1525-V1556 HydrophobicContact SD-CG2 4.32Å; V1527-V1556 HydrophobicContact CG1-CG2 4.33Å; I1554-V1556 PolarHBondContact O-N 2.91Å
1557	V	68.8	Low	54.7	Low	29 Å²	29	92.2 Å²	92.2	18%	0.176	48%	0.477	C	S	.	.			trans	-107.7	172.5	-175.8	-60.5	0	0	0	0	110.9	C1526 V1528 E1555 S1559 I1561	C1526-V1557 HydrophobicContact CB-CG2 4.39Å; C1526-V1557 PolarHBondContact O-N 3.24Å; C1526-V1557 VanDerWaalsContact O-N 3.1Å; C1526-V1557 VanDerWaalsContact SG-CG2 3.57Å; V1528-V1557 HydrophobicContact CB-CG1 4.16Å; V1528-V1557 HydrophobicContact CG2-CG1 3.88Å; V1528-V1557 HydrophobicContact CG2-CG2 3.91Å; E1555-V1557 HydrophobicContact CB-CG1 4.26Å; E1555-V1557 HydrophobicContact CG-CG1 3.96Å; E1555-V1557 PolarHBondContact O-N 2.8Å; V1557-S1559 PolarHBondContact O-N 2.84Å; V1557-I1561 HydrophobicContact CB-CD1 3.78Å; V1557-I1561 HydrophobicContact CG1-CD1 4.41Å; V1557-I1561 HydrophobicContact CG2-CB 4.04Å; V1557-I1561 HydrophobicContact CG2-CD1 3.9Å; V1557-I1561 HydrophobicContact CG2-CG2 4.14Å
1558	D	72.3	Confident	56.6	Low	95 Å²	95	90.4 Å²	90.4	51%	0.508	48%	0.481	S	S	.	.			trans	-57.3	131.1	173.2	-164.9	-34.8	0	0	0	111.2	Q1560 I1561	D1558-Q1560 HydrophobicContact CB-CB 4.39Å; D1558-Q1560 PolarHBondContact O-N 2.67Å; D1558-Q1560 PolarHBondContact OD1-N 3.36Å; D1558-I1561 WeakPolarHBondContact O-CB 3.47Å; D1558-I1561 PolarHBondContact O-N 2.99Å
1559	S	69.7	Low	59.1	Low	57 Å²	57	92.2 Å²	92.2	40%	0.399	49%	0.485	S	S	.	.	H	α-helix	trans	-31.8	-38.6	160.2	26.9	0	0	0	0	115	V1557 I1561 C1562 H1563	V1557-S1559 PolarHBondContact O-N 2.84Å; S1559-I1561 PolarHBondContact O-N 3.2Å; S1559-C1562 PolarHBondContact O-N 3.21Å; S1559-H1563 PolarHBondContact O-N 3.22Å; S1559-H1563 PolarHBondContact O-ND1 2.67Å
1560	Q	71	Confident	61.2	Low	113 Å²	113	89.1 Å²	89.1	53%	0.528	47%	0.466	S	S	.	.	H	α-helix	trans	-57.1	-32.8	178.9	-136.5	72.2	-11	0	0	113.1	D1558 H1563 N1564	D1558-Q1560 HydrophobicContact CB-CB 4.39Å; D1558-Q1560 PolarHBondContact O-N 2.67Å; D1558-Q1560 PolarHBondContact OD1-N 3.36Å; Q1560-H1563 PolarHBondContact O-N 3.18Å; Q1560-N1564 WeakPolarHBondContact O-CB 2.98Å; Q1560-N1564 PolarHBondContact O-N 3.15Å; Q1560-N1564 PolarHBondContact O-ND2 2.78Å; Q1560-N1564 PolarHBondContact O-OD1 3.3Å
1561	I	72.6	Confident	63.3	Low	70 Å²	70	90.1 Å²	90.1	36%	0.359	47%	0.47	S	S	.	.	H	α-helix	trans	-70.9	-40.6	-177.3	-72.9	157.6	0	0	0	111.2	P1501 V1528 V1557 D1558 S1559 N1564 A1565	P1501-I1561 HydrophobicContact CB-CG2 3.79Å; P1501-I1561 HydrophobicContact CG-CG2 4.46Å; V1528-I1561 HydrophobicContact CG2-CG2 4.2Å; V1557-I1561 HydrophobicContact CB-CD1 3.78Å; V1557-I1561 HydrophobicContact CG1-CD1 4.41Å; V1557-I1561 HydrophobicContact CG2-CB 4.04Å; V1557-I1561 HydrophobicContact CG2-CD1 3.9Å; V1557-I1561 HydrophobicContact CG2-CG2 4.14Å; D1558-I1561 WeakPolarHBondContact O-CB 3.47Å; D1558-I1561 PolarHBondContact O-N 2.99Å; S1559-I1561 PolarHBondContact O-N 3.2Å; I1561-N1564 PolarHBondContact O-N 3.3Å; I1561-A1565 WeakPolarHBondContact O-CB 3.25Å; I1561-A1565 PolarHBondContact O-N 3.27Å; I1561-A1565 VanDerWaalsContact O-N 3.12Å
1562	C	73.2	Confident	65.2	Low	0 Å²	0	83.1 Å²	83.1	0%	0	45%	0.449	C	S	.	.	H	α-helix	trans	-70.7	-34.1	174.4	-65.8	0	0	0	0	112.2	A1502 W1503 C1526 S1559 A1565 L1567	A1502-C1562 PolarHBondContact O-SG 3.42Å; A1502-C1562 VanDerWaalsContact O-SG 3.42Å; W1503-C1562 HydrophobicContact CD2-CB 3.84Å; W1503-C1562 HydrophobicContact CE3-CB 4.39Å; W1503-C1562 HydrophobicContact CG-CB 4.37Å; W1503-C1562 HydrophobicContact CH2-CB 4.13Å; W1503-C1562 HydrophobicContact CZ2-CB 3.51Å; C1526-C1562 VanDerWaalsContact CA-SG 3.52Å; C1526-C1562 HydrophobicContact CB-CB 3.92Å; C1526-C1562 WeakPolarHBondContact CB-SG 3.43Å; C1526-C1562 WeakPolarHBondContact SG-CB 3.36Å; C1526-C1562 PolarHBondContact SG-N 3.04Å; C1526-C1562 CovalentContact SG-SG 2.04Å; C1526-C1562 PolarHBondContact SG-SG 2.84Å; S1559-C1562 PolarHBondContact O-N 3.21Å; C1562-A1565 PolarHBondContact O-N 3.02Å; C1562-L1567 HydrophobicContact CB-CD1 4.41Å; C1562-L1567 WeakPolarHBondContact O-CB 3.43Å; C1562-L1567 PolarHBondContact O-N 2.98Å; C1562-L1567 VanDerWaalsContact O-N 3.12Å
1563	H	73.8	Confident	66.8	Low	97 Å²	97	85.8 Å²	85.8	45%	0.449	46%	0.462	S	S	.	.	H	α-helix	trans	-65.3	-44.9	172.3	-75.2	87.4	0	0	0	112.1	W1503 S1559 Q1560 A1565 L1566	W1503-H1563 AromaticContact CH2-CE1 3.72Å; W1503-H1563 AromaticContact CH2-ND1 3.9Å; W1503-H1563 AromaticContact CZ2-CE1 3.73Å; W1503-H1563 AromaticContact CZ2-ND1 3.78Å; S1559-H1563 PolarHBondContact O-N 3.22Å; S1559-H1563 PolarHBondContact O-ND1 2.67Å; Q1560-H1563 PolarHBondContact O-N 3.18Å; H1563-A1565 PolarHBondContact O-N 3.25Å; H1563-L1566 WeakPolarHBondContact O-CA 3.33Å; H1563-L1566 PolarHBondContact O-N 2.86Å
1564	N	73	Confident	67.9	Low	128 Å²	128	83.2 Å²	83.2	68%	0.684	45%	0.446	S	S	*	.	H	α-helix	trans	-63.3	-29.7	177.3	-71.7	-13.8	0	0	0	112.5	Q1560 I1561 L1566	Q1560-N1564 WeakPolarHBondContact O-CB 2.98Å; Q1560-N1564 PolarHBondContact O-N 3.15Å; Q1560-N1564 PolarHBondContact O-ND2 2.78Å; Q1560-N1564 PolarHBondContact O-OD1 3.3Å; I1561-N1564 PolarHBondContact O-N 3.3Å; N1564-L1566 PolarHBondContact O-N 3.45Å
1565	A	66.9	Low	68.8	Low	44 Å²	44	85.7 Å²	85.7	36%	0.364	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	5.4	172.9	0	0	0	0	0	114	P1501 I1561 C1562 H1563 L1567	P1501-A1565 HydrophobicContact CG-CB 3.55Å; I1561-A1565 WeakPolarHBondContact O-CB 3.25Å; I1561-A1565 PolarHBondContact O-N 3.27Å; I1561-A1565 VanDerWaalsContact O-N 3.12Å; C1562-A1565 PolarHBondContact O-N 3.02Å; H1563-A1565 PolarHBondContact O-N 3.25Å; A1565-L1567 HydrophobicContact CB-CD1 3.77Å; A1565-L1567 HydrophobicContact CB-CG 3.83Å; A1565-L1567 PolarHBondContact O-N 3.05Å
1566	L	72.1	Confident	68.9	Low	161 Å²	161	80 Å²	80	84%	0.843	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	27.9	-178	-58.7	171.6	0	0	0	113.9	H1563 N1564	H1563-L1566 WeakPolarHBondContact O-CA 3.33Å; H1563-L1566 PolarHBondContact O-N 2.86Å; N1564-L1566 PolarHBondContact O-N 3.45Å
1567	L	67.3	Low	68.6	Low	58 Å²	58	81.3 Å²	81.3	30%	0.304	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-85.3	125.5	-175.9	-63	169	0	0	0	111.2	P1501 W1503 C1562 A1565 M1569	P1501-L1567 HydrophobicContact CB-CD1 4.23Å; P1501-L1567 HydrophobicContact CG-CD1 4.04Å; P1501-L1567 WeakPolarHBondContact O-CD1 3.32Å; W1503-L1567 PolarHBondContact NE1-O 3.07Å; C1562-L1567 HydrophobicContact CB-CD1 4.41Å; C1562-L1567 WeakPolarHBondContact O-CB 3.43Å; C1562-L1567 PolarHBondContact O-N 2.98Å; C1562-L1567 VanDerWaalsContact O-N 3.12Å; A1565-L1567 HydrophobicContact CB-CD1 3.77Å; A1565-L1567 HydrophobicContact CB-CG 3.83Å; A1565-L1567 PolarHBondContact O-N 3.05Å; L1567-M1569 PolarHBondContact O-N 2.8Å
1568	P	63.8	Low	67.8	Low	115 Å²	115	84.1 Å²	84.1	75%	0.747	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-65.2	123.9	179.4	27	-33.9	0	0	0	110.6	W1503 P1570	W1503-P1568 VanDerWaalsContact CD1-O 3.25Å; P1568-P1570 WeakPolarHBondContact O-CD 3.37Å
1569	M	77.5	Confident	67	Low	112 Å²	112	82 Å²	82	55%	0.552	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-66.9	124	178.1	-169.4	176.5	73.9	0	0	110.4	W1503 V1524 L1567	W1503-M1569 HydrophobicContact CD2-CB 4.39Å; W1503-M1569 HydrophobicContact CD2-CG 4.09Å; W1503-M1569 HydrophobicContact CE3-CG 4.11Å; W1503-M1569 HydrophobicContact CH2-CB 4.31Å; W1503-M1569 HydrophobicContact CH2-CG 3.8Å; W1503-M1569 HydrophobicContact CH2-SD 3.82Å; W1503-M1569 HydrophobicContact CZ2-CB 3.78Å; W1503-M1569 HydrophobicContact CZ2-CG 3.77Å; W1503-M1569 HydrophobicContact CZ2-SD 4.23Å; W1503-M1569 HydrophobicContact CZ3-CG 3.97Å; W1503-M1569 HydrophobicContact CZ3-SD 4.17Å; V1524-M1569 HydrophobicContact CG1-CG 4.1Å; L1567-M1569 PolarHBondContact O-N 2.8Å
1570	P	69.6	Low	66.4	Low	34 Å²	34	81.3 Å²	81.3	22%	0.221	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-60.8	154.6	172.4	-22.4	33	0	0	0	111.5	W1503 T1505 V1524 P1568 E1572	W1503-P1570 HydrophobicContact CB-CG 3.5Å; W1503-P1570 HydrophobicContact CG-CG 4.21Å; T1505-P1570 HydrophobicContact CG2-CB 3.82Å; T1505-P1570 HydrophobicContact CG2-CG 4.08Å; V1524-P1570 HydrophobicContact CG2-CB 4.18Å; V1524-P1570 WeakPolarHBondContact CG2-O 3.04Å; P1568-P1570 WeakPolarHBondContact O-CD 3.37Å; P1570-E1572 PolarHBondContact O-N 2.04Å
1571	T	71.5	Confident	66	Low	79 Å²	79	78.3 Å²	78.3	49%	0.485	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-70.9	123.9	175.2	49.3	0	0	0	0	111.6	W1508 R1522 Q1573	W1508-T1571 WeakPolarHBondContact CH2-O 3.27Å; R1522-T1571 PolarHBondContact NE-O 2.87Å; R1522-T1571 PolarHBondContact NH2-O 3.23Å; R1522-T1571 PolarHBondContact NH2-OG1 2.83Å; T1571-Q1573 WeakPolarHBondContact CB-O 3.27Å; T1571-Q1573 PolarHBondContact O-N 2.93Å
1572	E	72.6	Confident	65.9	Low	106 Å²	106	76.1 Å²	76.1	50%	0.495	42%	0.423	S	S	.	.	S	Bend	trans	-67.8	-21.2	166.8	-68.6	-161.4	122.5	0	0	112.7	W1508 Q1521 R1522 V1524 P1570	W1508-E1572 WeakPolarHBondContact CZ3-O 3.06Å; Q1521-E1572 CarbonylContact C-O 3.49Å; Q1521-E1572 WeakPolarHBondContact CA-O 3.37Å; R1522-E1572 PolarHBondContact N-O 2.81Å; R1522-E1572 WeakPolarHBondContact O-CA 3.22Å; R1522-E1572 WeakPolarHBondContact O-CB 3.44Å; R1522-E1572 VanDerWaalsContact O-O 3.13Å; V1524-E1572 HydrophobicContact CB-CG 3.68Å; V1524-E1572 HydrophobicContact CG2-CB 4.34Å; V1524-E1572 HydrophobicContact CG2-CG 3.5Å; V1524-E1572 VanDerWaalsContact CG2-CG 3.5Å; V1524-E1572 PolarHBondContact N-OE1 2.98Å; P1570-E1572 PolarHBondContact O-N 2.04Å
1573	Q	68.5	Low	65.8	Low	115 Å²	115	80.3 Å²	80.3	54%	0.537	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128.9	-175.7	-171.5	179.3	-43.3	0	0	110.1	V1519 T1571	V1519-Q1573 HydrophobicContact CG1-CG 3.29Å; T1571-Q1573 WeakPolarHBondContact CB-O 3.27Å; T1571-Q1573 PolarHBondContact O-N 2.93Å
1574	E	64.1	Low	66.1	Low	68 Å²	68	77.7 Å²	77.7	32%	0.318	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.3	174.1	-177.7	-176.1	-172.1	0	0	110.1	W1508 R1520 C1576	W1508-E1574 HydrophobicContact CH2-CB 3.31Å; W1508-E1574 HydrophobicContact CZ2-CB 3.5Å; W1508-E1574 VanDerWaalsContact CZ2-CB 3.5Å; W1508-E1574 HydrophobicContact CZ2-CG 4.32Å; W1508-E1574 WeakPolarHBondContact CZ2-OE2 3.47Å; W1508-E1574 HydrophobicContact CZ3-CB 3.98Å; W1508-E1574 PolarHBondContact NE1-OE2 3.43Å; R1520-E1574 HydrophobicContact CG-CB 4.07Å; R1520-E1574 IonicContact CZ-OE2 3.71Å; R1520-E1574 PolarHBondContact N-O 3.45Å; R1520-E1574 IonicContact NE-OE2 3.71Å; R1520-E1574 PolarHBondContact NE-OE2 2.9Å; R1520-E1574 VanDerWaalsContact NH2-CD 3.27Å; R1520-E1574 IonicContact NH2-OE1 3.48Å; R1520-E1574 PolarHBondContact NH2-OE1 2.79Å; R1520-E1574 IonicContact NH2-OE2 3.67Å; R1520-E1574 PolarHBondContact NH2-OE2 3.39Å; R1520-E1574 PolarHBondContact O-N 3.11Å; E1574-C1576 PolarHBondContact O-N 3.41Å; E1574-C1576 VanDerWaalsContact O-N 3.15Å
1575	T	63.4	Low	66.3	Low	97 Å²	97	74.4 Å²	74.4	60%	0.595	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	101.5	167.9	47.9	0	0	0	0	109.3	L1517 G1518	L1517-T1575 HydrophobicContact CD2-CG2 4.46Å; G1518-T1575 WeakPolarHBondContact O-CA 3.46Å
1576	C	54.2	Low	66.6	Low	11 Å²	11	73.9 Å²	73.9	7%	0.074	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	130.5	169.2	43.2	0	0	0	0	109.1	C1511 G1518 R1520 E1574	C1511-C1576 WeakPolarHBondContact CA-SG 3.35Å; C1511-C1576 HydrophobicContact CB-CB 3.99Å; C1511-C1576 WeakPolarHBondContact CB-SG 3.16Å; C1511-C1576 WeakPolarHBondContact SG-CB 3.31Å; C1511-C1576 CovalentContact SG-SG 2.03Å; C1511-C1576 PolarHBondContact SG-SG 3.17Å; G1518-C1576 PolarHBondContact N-O 3.44Å; G1518-C1576 PolarHBondContact O-N 3Å; G1518-C1576 VanDerWaalsContact O-O 3.13Å; G1518-C1576 PolarHBondContact O-SG 2.98Å; R1520-C1576 HydrophobicContact CB-CB 4.33Å; R1520-C1576 HydrophobicContact CG-CB 3.9Å; R1520-C1576 PolarHBondContact N-SG 2.98Å; R1520-C1576 VanDerWaalsContact N-SG 3.35Å; E1574-C1576 PolarHBondContact O-N 3.41Å; E1574-C1576 VanDerWaalsContact O-N 3.15Å
1577	L	54.4	Low	66.5	Low	119 Å²	119	69.1 Å²	69.1	62%	0.623	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	89.8	170.8	-158.6	77.8	0	0	0	108.3	G1516 L1517	G1516-L1577 WeakPolarHBondContact O-CA 3.35Å; L1517-L1577 HydrophobicContact CD2-CD1 3.76Å; L1517-L1577 HydrophobicContact CG-CD1 3.74Å
1578	E	53.6	Low	66.9	Low	88 Å²	88	73.4 Å²	73.4	41%	0.411	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-64	165.8	162.5	-86.6	-72.2	178.3	0	0	109.8	C1511 G1516 P1580	C1511-E1578 HydrophobicContact CB-CG 3.95Å; G1516-E1578 PolarHBondContact N-O 2.79Å; G1516-E1578 PolarHBondContact O-N 2.86Å; E1578-P1580 VanDerWaalsContact O-N 3.17Å
1579	A	53.5	Low	67.4	Low	51 Å²	51	70.8 Å²	70.8	42%	0.421	38%	0.378	S	S	.	.	S	Bend	trans	-47.8	126.8	180	0	0	0	0	0	110.5	C1515 G1516 C1581	C1515-A1579 WeakPolarHBondContact CA-O 3.34Å; C1515-A1579 VanDerWaalsContact CB-O 3.32Å; C1515-A1579 WeakPolarHBondContact CB-O 3.41Å; G1516-A1579 PolarHBondContact N-O 2.02Å; A1579-C1581 PolarHBondContact O-N 3.38Å
1580	P	59.1	Low	66.6	Low	41 Å²	41	69.5 Å²	69.5	27%	0.266	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-59.8	138.2	-165	11.1	-20.5	0	0	0	111.3	E1578 I1609 L1611	E1578-P1580 VanDerWaalsContact O-N 3.17Å; P1580-I1609 HydrophobicContact CB-CG2 3.81Å; P1580-I1609 HydrophobicContact CG-CG2 3.59Å; P1580-I1609 WeakPolarHBondContact O-CD1 3.23Å; P1580-I1609 VanDerWaalsContact O-CG1 3.3Å; P1580-I1609 WeakPolarHBondContact O-CG1 3.46Å; P1580-I1609 WeakPolarHBondContact O-CG2 3.24Å; P1580-L1611 HydrophobicContact CG-CD2 3.97Å
1581	C	60.6	Low	66.5	Low	50 Å²	50	70.8 Å²	70.8	34%	0.338	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-59.7	127.3	-160.1	-76.4	0	0	0	0	113.3	C1515 A1579 M1583	C1515-C1581 HydrophobicContact CB-CB 3.92Å; C1515-C1581 WeakPolarHBondContact CB-SG 2.98Å; C1515-C1581 PolarHBondContact O-SG 2.81Å; C1515-C1581 VanDerWaalsContact SG-CA 3.52Å; C1515-C1581 WeakPolarHBondContact SG-CB 3.28Å; C1515-C1581 CovalentContact SG-SG 2.05Å; C1515-C1581 PolarHBondContact SG-SG 3.42Å; A1579-C1581 PolarHBondContact O-N 3.38Å; C1581-M1583 PolarHBondContact O-N 3.15Å
1582	P	70.7	Confident	66.2	Low	24 Å²	24	68.1 Å²	68.1	16%	0.156	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	128.7	165.6	29	-32.9	0	0	0	108.3	I1608 I1609 V1653 R1657 A1661	P1582-I1608 CarbonylContact C-O 3.57Å; P1582-I1608 VanDerWaalsContact CA-O 3.26Å; P1582-I1608 WeakPolarHBondContact CA-O 3.34Å; P1582-I1609 HydrophobicContact CB-CD1 4.44Å; P1582-I1609 HydrophobicContact CB-CG1 4.14Å; P1582-V1653 HydrophobicContact CB-CG2 4.47Å; P1582-R1657 HydrophobicContact CB-CB 3.94Å; P1582-R1657 HydrophobicContact CG-CB 4.13Å; P1582-R1657 WeakPolarHBondContact CG-O 2.99Å; P1582-A1661 WeakPolarHBondContact O-CB 3.43Å
1583	M	71.9	Confident	65.3	Low	88 Å²	88	67.2 Å²	67.2	43%	0.433	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	147.8	-176	67.1	-168.3	-52.1	0	0	111.5	C1581 Q1585 I1608 E1610	C1581-M1583 PolarHBondContact O-N 3.15Å; M1583-Q1585 PolarHBondContact O-N 3Å; M1583-I1608 HydrophobicContact CG-CD1 4.12Å; M1583-I1608 HydrophobicContact CG-CG1 3.66Å; M1583-I1608 PolarHBondContact N-O 3.42Å; M1583-I1608 WeakPolarHBondContact O-CG1 3.38Å; M1583-I1608 PolarHBondContact O-N 3.46Å; M1583-I1608 HydrophobicContact SD-CD1 4.41Å; M1583-E1610 HydrophobicContact SD-CB 4.49Å
1584	W	80.9	Confident	64.5	Low	43 Å²	43	63.6 Å²	63.6	16%	0.163	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	103.2	178.7	-66.9	114.8	0	0	0	111.5	I1605 C1607 Q1655 C1658 G1662 K1664 P1665	W1584-I1605 HydrophobicContact CD2-CG2 4.47Å; W1584-I1605 HydrophobicContact CE3-CG2 3.63Å; W1584-I1605 HydrophobicContact CZ3-CG2 4.2Å; W1584-C1607 HydrophobicContact CE3-CB 4.38Å; W1584-C1607 HydrophobicContact CZ3-CB 4.13Å; W1584-Q1655 HydrophobicContact CH2-CB 4.37Å; W1584-Q1655 HydrophobicContact CH2-CG 4.48Å; W1584-Q1655 HydrophobicContact CZ3-CG 4.48Å; W1584-C1658 HydrophobicContact CD2-CB 3.83Å; W1584-C1658 VanDerWaalsContact CE2-CB 3.48Å; W1584-C1658 HydrophobicContact CE3-CB 4.11Å; W1584-C1658 HydrophobicContact CH2-CB 3.8Å; W1584-C1658 HydrophobicContact CZ2-CB 3.48Å; W1584-C1658 VanDerWaalsContact CZ2-CB 3.48Å; W1584-C1658 HydrophobicContact CZ3-CB 4.1Å; W1584-C1658 PolarHBondContact NE1-O 3.5Å; W1584-G1662 PolarHBondContact NE1-O 2.69Å; W1584-G1662 VanDerWaalsContact NE1-O 3.14Å; W1584-K1664 HydrophobicContact CD2-CB 4.28Å; W1584-K1664 HydrophobicContact CD2-CG 4.1Å; W1584-K1664 HydrophobicContact CE3-CG 4.09Å; W1584-K1664 HydrophobicContact CH2-CB 4.35Å; W1584-K1664 HydrophobicContact CH2-CD 3.67Å; W1584-K1664 HydrophobicContact CH2-CG 3.91Å; W1584-K1664 HydrophobicContact CZ2-CB 3.83Å; W1584-K1664 HydrophobicContact CZ2-CD 3.99Å; W1584-K1664 HydrophobicContact CZ2-CG 3.9Å; W1584-K1664 HydrophobicContact CZ3-CD 3.99Å; W1584-K1664 HydrophobicContact CZ3-CG 4Å; W1584-P1665 HydrophobicContact CB-CG 3.95Å
1585	Q	76	Confident	63.6	Low	58 Å²	58	65.9 Å²	65.9	27%	0.271	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113	168.2	-179.3	171.3	79.9	0	0	109.7	M1583 R1606 I1608	M1583-Q1585 PolarHBondContact O-N 3Å; Q1585-R1606 PolarHBondContact N-O 2.99Å; Q1585-R1606 PolarHBondContact O-N 3.25Å; Q1585-R1606 VanDerWaalsContact OE1-CZ 3.29Å; Q1585-I1608 HydrophobicContact CB-CD1 3.63Å; Q1585-I1608 HydrophobicContact CB-CG1 3.73Å; Q1585-I1608 HydrophobicContact CB-CG2 4.24Å; Q1585-I1608 HydrophobicContact CG-CD1 4.26Å
1586	A	73	Confident	62.6	Low	34 Å²	34	63.6 Å²	63.6	28%	0.281	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	136	166.6	0	0	0	0	0	109.9	P1665	A1586-P1665 HydrophobicContact CB-CB 4.27Å; A1586-P1665 HydrophobicContact CB-CG 4.37Å
1587	E	70.9	Confident	61.9	Low	60 Å²	60	69.8 Å²	69.8	28%	0.28	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-75.1	169.5	166.2	-67.6	176.4	-172.3	0	0	110.1	R1603 K1604 R1606	E1587-R1603 VanDerWaalsContact O-CD 3.31Å; E1587-R1603 WeakPolarHBondContact O-CD 3.15Å; E1587-K1604 HydrophobicContact CB-CB 4.44Å; E1587-K1604 HydrophobicContact CG-CB 4.44Å; E1587-K1604 PolarHBondContact N-O 3.29Å; E1587-K1604 IonicContact OE1-NZ 2.92Å; E1587-K1604 PolarHBondContact OE1-NZ 2.97Å; E1587-K1604 WeakPolarHBondContact OE2-CB 3.48Å; E1587-K1604 IonicContact OE2-NZ 3.49Å; E1587-K1604 PolarHBondContact OE2-NZ 3.23Å; E1587-R1606 IonicContact OE1-CZ 3.59Å; E1587-R1606 IonicContact OE1-NE 2.66Å; E1587-R1606 PolarHBondContact OE1-NE 3.46Å; E1587-R1606 IonicContact OE1-NH2 3.34Å; E1587-R1606 PolarHBondContact OE1-NH2 3.09Å
1588	D	75.8	Confident	61.5	Low	149 Å²	149	69.7 Å²	69.7	80%	0.797	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-59.7	155.6	175.5	-73.2	-57.5	0	0	0	112	Q1590 R1603	D1588-Q1590 PolarHBondContact O-N 2.6Å; D1588-R1603 VanDerWaalsContact O-CB 3.26Å; D1588-R1603 WeakPolarHBondContact O-CB 3.11Å
1589	W	73.2	Confident	61.8	Low	59 Å²	59	65.9 Å²	65.9	22%	0.223	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-66.8	124.8	168.5	-67.4	100.3	0	0	0	109.5	Q1601 R1603 I1666 R1669	W1589-Q1601 HydrophobicContact CE3-CB 3.95Å; W1589-Q1601 WeakPolarHBondContact CZ3-O 3.35Å; W1589-R1603 HydrophobicContact CD2-CB 4.36Å; W1589-R1603 HydrophobicContact CD2-CG 4.09Å; W1589-R1603 HydrophobicContact CE3-CB 4.04Å; W1589-R1603 HydrophobicContact CE3-CG 3.8Å; W1589-R1603 HydrophobicContact CH2-CG 4.07Å; W1589-R1603 HydrophobicContact CZ2-CG 4.33Å; W1589-R1603 VanDerWaalsContact CZ2-NE 3.26Å; W1589-R1603 HydrophobicContact CZ3-CB 4.41Å; W1589-R1603 HydrophobicContact CZ3-CG 3.78Å; W1589-I1666 HydrophobicContact CH2-CD1 4.02Å; W1589-I1666 HydrophobicContact CH2-CG1 3.95Å; W1589-I1666 HydrophobicContact CZ2-CD1 3.89Å; W1589-I1666 HydrophobicContact CZ2-CG1 3.88Å; W1589-R1669 HydrophobicContact CD2-CG 4.17Å; W1589-R1669 HydrophobicContact CE3-CG 3.87Å; W1589-R1669 HydrophobicContact CH2-CB 3.84Å; W1589-R1669 HydrophobicContact CH2-CG 3.82Å; W1589-R1669 HydrophobicContact CZ2-CB 4.33Å; W1589-R1669 HydrophobicContact CZ2-CG 4.12Å; W1589-R1669 HydrophobicContact CZ3-CB 4.07Å; W1589-R1669 HydrophobicContact CZ3-CG 3.71Å
1590	Q	62.2	Low	62.2	Low	86 Å²	86	67.4 Å²	67.4	40%	0.402	35%	0.352	S	S	.	.			trans	-63.3	174.7	165	-68.3	157.3	-108.7	0	0	109.5	D1588 Q1601 H1602 E1727	D1588-Q1590 PolarHBondContact O-N 2.6Å; Q1590-Q1601 PolarHBondContact O-NE2 3.06Å; Q1590-H1602 PolarHBondContact N-O 3.31Å; Q1590-E1727 HydrophobicContact CB-CB 4.19Å; Q1590-E1727 HydrophobicContact CB-CG 4Å; Q1590-E1727 WeakPolarHBondContact CB-OE1 3.29Å; Q1590-E1727 WeakPolarHBondContact CB-OE2 3.46Å; Q1590-E1727 PolarHBondContact NE2-OE2 3.28Å
1591	E	66.4	Low	62.9	Low	61 Å²	61	66.9 Å²	66.9	29%	0.285	35%	0.346	S	S	.	.			trans	-72.3	-139.1	-176.4	-51.1	179.8	115.3	0	0	113	Q1601 I1726 E1727 S1728	E1591-Q1601 WeakPolarHBondContact O-CA 3.23Å; E1591-Q1601 WeakPolarHBondContact O-CB 3.33Å; E1591-Q1601 WeakPolarHBondContact O-CG 3.49Å; E1591-Q1601 PolarHBondContact O-NE2 2.88Å; E1591-I1726 HydrophobicContact CB-CG2 3.77Å; E1591-I1726 WeakPolarHBondContact OE2-CA 3.35Å; E1591-E1727 HydrophobicContact CB-CB 4.47Å; E1591-E1727 HydrophobicContact CB-CG 4.23Å; E1591-E1727 VanDerWaalsContact OE2-CA 3.27Å; E1591-E1727 WeakPolarHBondContact OE2-CA 3.42Å; E1591-E1727 PolarHBondContact OE2-N 2.87Å; E1591-S1728 VanDerWaalsContact CD-N 3.29Å; E1591-S1728 PolarHBondContact OE2-N 3.23Å
1592	C	65.2	Low	63.2	Low	22 Å²	22	67.9 Å²	67.9	15%	0.149	35%	0.346	C	S	.	.			trans	-125.7	95.5	-169.4	-172.2	0	0	0	0	110.9	C1671	C1592-C1671 WeakPolarHBondContact CA-SG 3.37Å; C1592-C1671 HydrophobicContact CB-CB 4Å; C1592-C1671 WeakPolarHBondContact CB-SG 3.47Å; C1592-C1671 WeakPolarHBondContact SG-CB 3.36Å; C1592-C1671 CovalentContact SG-SG 2.03Å; C1592-C1671 PolarHBondContact SG-SG 3.25Å
1593	I	53.8	Low	63.5	Low	87 Å²	87	69.1 Å²	69.1	45%	0.446	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-79.8	118.7	177.3	-58.7	-177.3	0	0	0	109.5	G1599 I1600 E1727	I1593-G1599 CarbonylContact O-C 3.51Å; I1593-G1599 WeakPolarHBondContact O-CA 3.21Å; I1593-I1600 PolarHBondContact N-O 2.81Å; I1593-I1600 PolarHBondContact O-N 3.26Å; I1593-E1727 VanDerWaalsContact CD1-CD 3.43Å; I1593-E1727 HydrophobicContact CD1-CG 3.88Å; I1593-E1727 VanDerWaalsContact CG1-CD 3.49Å; I1593-E1727 HydrophobicContact CG1-CG 3.53Å
1594	G	52	Low	63.5	Low	39 Å²	39	70 Å²	70	40%	0.402	35%	0.349	S	S	.	.			trans	-177.6	173	171.6	0	0	0	0	0	114	Y1598	G1594-Y1598 WeakPolarHBondContact CA-O 3.28Å
1595	E	44.3	Very low	63.3	Low	117 Å²	117	69.5 Å²	69.5	55%	0.547	35%	0.349	S	S	.	.	S	Bend	trans	-101.3	168.4	170.3	-60.3	-169.1	174.6	0	0	109.3	E1597 Y1598 Y1723	E1595-E1597 PolarHBondContact O-N 3.12Å; E1595-Y1598 PolarHBondContact O-N 3.19Å; E1595-Y1723 HydrophobicContact CG-CE1 4.48Å
1596	C	42.2	Very low	63.3	Low	49 Å²	49	69 Å²	69	33%	0.331	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.8	132.2	-162.9	-56.3	0	0	0	0	114.5	C1677	C1596-C1677 HydrophobicContact CB-CB 4.2Å; C1596-C1677 WeakPolarHBondContact CB-SG 3.07Å; C1596-C1677 WeakPolarHBondContact SG-CB 3.1Å; C1596-C1677 CovalentContact SG-SG 2.04Å; C1596-C1677 PolarHBondContact SG-SG 2.71Å
1597	E	40.1	Very low	63.7	Low	141 Å²	141	67.6 Å²	67.6	66%	0.659	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	91.4	-52.9	-175.5	-54.2	-176.9	175.7	0	0	116.5	E1595 I1673	E1595-E1597 PolarHBondContact O-N 3.12Å; E1597-I1673 PolarHBondContact O-N 3.22Å
1598	Y	46.9	Very low	63.8	Low	117 Å²	117	64.9 Å²	64.9	46%	0.459	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	152.5	-172.5	-65.1	-79	0	0	0	114.2	G1594 E1595 L1672 I1673	G1594-Y1598 WeakPolarHBondContact CA-O 3.28Å; E1595-Y1598 PolarHBondContact O-N 3.19Å; Y1598-L1672 HydrophobicContact CD1-CD2 3.72Å; Y1598-L1672 HydrophobicContact CE1-CD2 3.56Å; Y1598-I1673 WeakPolarHBondContact O-CD1 3.34Å
1599	G	59.2	Low	63.4	Low	8 Å²	8	58.1 Å²	58.1	8%	0.082	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	-179.7	171.9	0	0	0	0	0	114.5	I1593 P1670 C1671	I1593-G1599 CarbonylContact O-C 3.51Å; I1593-G1599 WeakPolarHBondContact O-CA 3.21Å; G1599-P1670 CarbonylContact O-C 3.57Å; G1599-P1670 WeakPolarHBondContact O-CA 3.39Å; G1599-C1671 PolarHBondContact N-O 2.05Å; G1599-C1671 PolarHBondContact O-N 2.95Å; G1599-C1671 PolarHBondContact O-SG 3.07Å; G1599-C1671 VanDerWaalsContact O-SG 3.36Å
1600	I	61.1	Low	62.6	Low	82 Å²	82	59 Å²	59	42%	0.421	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.3	178.3	-56.8	174.9	0	0	0	108.2	I1593 E1668 R1669	I1593-I1600 PolarHBondContact N-O 2.81Å; I1593-I1600 PolarHBondContact O-N 3.26Å; I1600-E1668 HydrophobicContact CG2-CB 4.4Å; I1600-R1669 WeakPolarHBondContact CA-O 2.99Å
1601	Q	74.1	Confident	62.2	Low	31 Å²	31	59 Å²	59	15%	0.145	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.9	166.4	-42.4	-155.8	-102	0	0	109	W1589 Q1590 E1591 E1668 R1669 C1671	W1589-Q1601 HydrophobicContact CE3-CB 3.95Å; W1589-Q1601 WeakPolarHBondContact CZ3-O 3.35Å; Q1590-Q1601 PolarHBondContact O-NE2 3.06Å; E1591-Q1601 WeakPolarHBondContact O-CA 3.23Å; E1591-Q1601 WeakPolarHBondContact O-CB 3.33Å; E1591-Q1601 WeakPolarHBondContact O-CG 3.49Å; E1591-Q1601 PolarHBondContact O-NE2 2.88Å; Q1601-E1668 WeakPolarHBondContact O-CA 3.3Å; Q1601-R1669 HydrophobicContact CB-CG 3.99Å; Q1601-R1669 HydrophobicContact CG-CG 4.2Å; Q1601-R1669 PolarHBondContact N-O 3.4Å; Q1601-R1669 PolarHBondContact O-N 2.94Å; Q1601-C1671 HydrophobicContact CG-CB 3.78Å; Q1601-C1671 WeakPolarHBondContact CG-SG 3.32Å
1602	H	67.9	Low	61.3	Low	71 Å²	71	59.7 Å²	59.7	33%	0.329	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	161.4	173.2	-64.7	-78.3	0	0	0	111.6	Q1590	Q1590-H1602 PolarHBondContact N-O 3.31Å
1603	R	75.5	Confident	60	Low	50 Å²	50	60.9 Å²	60.9	19%	0.189	31%	0.31	C	S	.	.			trans	-151.9	147.7	157	63.3	179.3	178.3	169	0.8	111.6	E1587 D1588 W1589 I1666 S1667	E1587-R1603 VanDerWaalsContact O-CD 3.31Å; E1587-R1603 WeakPolarHBondContact O-CD 3.15Å; D1588-R1603 VanDerWaalsContact O-CB 3.26Å; D1588-R1603 WeakPolarHBondContact O-CB 3.11Å; W1589-R1603 HydrophobicContact CD2-CB 4.36Å; W1589-R1603 HydrophobicContact CD2-CG 4.09Å; W1589-R1603 HydrophobicContact CE3-CB 4.04Å; W1589-R1603 HydrophobicContact CE3-CG 3.8Å; W1589-R1603 HydrophobicContact CH2-CG 4.07Å; W1589-R1603 HydrophobicContact CZ2-CG 4.33Å; W1589-R1603 VanDerWaalsContact CZ2-NE 3.26Å; W1589-R1603 HydrophobicContact CZ3-CB 4.41Å; W1589-R1603 HydrophobicContact CZ3-CG 3.78Å; R1603-I1666 VanDerWaalsContact CZ-O 3.28Å; R1603-I1666 PolarHBondContact NE-O 2.83Å; R1603-I1666 PolarHBondContact NH2-O 3.5Å; R1603-S1667 PolarHBondContact N-O 2.83Å
1604	K	72.6	Confident	58.9	Low	107 Å²	107	61.4 Å²	61.4	47%	0.465	32%	0.321	S	S	.	.			trans	-81	143.9	175.5	170.6	163.5	156.1	-103.4	0	110.7	E1587	E1587-K1604 HydrophobicContact CB-CB 4.44Å; E1587-K1604 HydrophobicContact CG-CB 4.44Å; E1587-K1604 PolarHBondContact N-O 3.29Å; E1587-K1604 IonicContact OE1-NZ 2.92Å; E1587-K1604 PolarHBondContact OE1-NZ 2.97Å; E1587-K1604 WeakPolarHBondContact OE2-CB 3.48Å; E1587-K1604 IonicContact OE2-NZ 3.49Å; E1587-K1604 PolarHBondContact OE2-NZ 3.23Å
1605	I	78	Confident	58.1	Low	31 Å²	31	67.2 Å²	67.2	16%	0.159	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.1	178.5	-55.8	171.2	0	0	0	107.4	W1584 K1664 P1665	W1584-I1605 HydrophobicContact CD2-CG2 4.47Å; W1584-I1605 HydrophobicContact CE3-CG2 3.63Å; W1584-I1605 HydrophobicContact CZ3-CG2 4.2Å; I1605-K1664 HydrophobicContact CD1-CG 4.38Å; I1605-P1665 HydrophobicContact CD1-CB 4.08Å; I1605-P1665 WeakPolarHBondContact CD1-O 3.5Å
1606	R	75.4	Confident	57.7	Low	47 Å²	47	68.9 Å²	68.9	18%	0.177	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	143.3	175.4	-72.4	-174.9	-93.3	122.2	2.6	110.1	Q1585 E1587 I1608 D1652	Q1585-R1606 PolarHBondContact N-O 2.99Å; Q1585-R1606 PolarHBondContact O-N 3.25Å; Q1585-R1606 VanDerWaalsContact OE1-CZ 3.29Å; E1587-R1606 IonicContact OE1-CZ 3.59Å; E1587-R1606 IonicContact OE1-NE 2.66Å; E1587-R1606 PolarHBondContact OE1-NE 3.46Å; E1587-R1606 IonicContact OE1-NH2 3.34Å; E1587-R1606 PolarHBondContact OE1-NH2 3.09Å; R1606-I1608 HydrophobicContact CB-CG2 3.71Å; R1606-D1652 WeakPolarHBondContact CB-OD1 3.49Å; R1606-D1652 WeakPolarHBondContact CD-OD1 3.44Å; R1606-D1652 WeakPolarHBondContact CG-OD1 3.46Å
1607	C	81.3	Confident	57.4	Low	5 Å²	5	70.8 Å²	70.8	3%	0.034	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	114.4	162.2	179.5	0	0	0	0	106.4	W1584 V1653 D1654 C1658	W1584-C1607 HydrophobicContact CE3-CB 4.38Å; W1584-C1607 HydrophobicContact CZ3-CB 4.13Å; C1607-V1653 PolarHBondContact O-N 3.15Å; C1607-D1654 PolarHBondContact SG-O 3.45Å; C1607-D1654 VanDerWaalsContact SG-O 3.39Å; C1607-C1658 WeakPolarHBondContact CA-SG 3.4Å; C1607-C1658 HydrophobicContact CB-CB 3.84Å; C1607-C1658 WeakPolarHBondContact CB-SG 3.49Å; C1607-C1658 WeakPolarHBondContact SG-CB 3.45Å; C1607-C1658 PolarHBondContact SG-N 2.81Å; C1607-C1658 VanDerWaalsContact SG-N 3.4Å; C1607-C1658 CovalentContact SG-SG 2.02Å; C1607-C1658 PolarHBondContact SG-SG 3.21Å
1608	I	72.1	Confident	56.9	Low	4 Å²	4	68.6 Å²	68.6	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	158	-173.3	63.6	155.4	0	0	0	112	P1582 M1583 Q1585 R1606 I1650 M1651 D1652	P1582-I1608 CarbonylContact C-O 3.57Å; P1582-I1608 VanDerWaalsContact CA-O 3.26Å; P1582-I1608 WeakPolarHBondContact CA-O 3.34Å; M1583-I1608 HydrophobicContact CG-CD1 4.12Å; M1583-I1608 HydrophobicContact CG-CG1 3.66Å; M1583-I1608 PolarHBondContact N-O 3.42Å; M1583-I1608 WeakPolarHBondContact O-CG1 3.38Å; M1583-I1608 PolarHBondContact O-N 3.46Å; M1583-I1608 HydrophobicContact SD-CD1 4.41Å; Q1585-I1608 HydrophobicContact CB-CD1 3.63Å; Q1585-I1608 HydrophobicContact CB-CG1 3.73Å; Q1585-I1608 HydrophobicContact CB-CG2 4.24Å; Q1585-I1608 HydrophobicContact CG-CD1 4.26Å; R1606-I1608 HydrophobicContact CB-CG2 3.71Å; I1608-I1650 HydrophobicContact CB-CG2 3.83Å; I1608-I1650 HydrophobicContact CD1-CD1 4.23Å; I1608-I1650 HydrophobicContact CD1-CG1 4.2Å; I1608-I1650 HydrophobicContact CD1-CG2 3.8Å; I1608-I1650 HydrophobicContact CG1-CG2 4.44Å; I1608-I1650 HydrophobicContact CG2-CG2 3.76Å; I1608-M1651 CarbonylContact C-O 3.47Å; I1608-M1651 VanDerWaalsContact CA-O 3.3Å; I1608-M1651 WeakPolarHBondContact CA-O 3.44Å; I1608-D1652 WeakPolarHBondContact CG2-OD1 3.24Å
1609	I	67.7	Low	56.2	Low	6 Å²	6	68.8 Å²	68.8	3%	0.031	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.8	169.5	-77.7	178.5	0	0	0	107.9	P1580 P1582 L1611 M1651 V1653	P1580-I1609 HydrophobicContact CB-CG2 3.81Å; P1580-I1609 HydrophobicContact CG-CG2 3.59Å; P1580-I1609 WeakPolarHBondContact O-CD1 3.23Å; P1580-I1609 VanDerWaalsContact O-CG1 3.3Å; P1580-I1609 WeakPolarHBondContact O-CG1 3.46Å; P1580-I1609 WeakPolarHBondContact O-CG2 3.24Å; P1582-I1609 HydrophobicContact CB-CD1 4.44Å; P1582-I1609 HydrophobicContact CB-CG1 4.14Å; I1609-L1611 HydrophobicContact CG2-CD2 4Å; I1609-L1611 HydrophobicContact CG2-CG 4.42Å; I1609-M1651 HydrophobicContact CB-CE 4.05Å; I1609-M1651 HydrophobicContact CD1-CE 4.2Å; I1609-M1651 HydrophobicContact CG2-CE 3.94Å; I1609-M1651 PolarHBondContact N-O 3.33Å; I1609-M1651 PolarHBondContact O-N 3.47Å; I1609-V1653 HydrophobicContact CD1-CG1 3.94Å; I1609-V1653 HydrophobicContact CD1-CG2 3.89Å; I1609-V1653 HydrophobicContact CG1-CG1 4.49Å; I1609-V1653 HydrophobicContact CG1-CG2 3.83Å
1610	E	57.6	Low	55	Low	79 Å²	79	76.1 Å²	76.1	37%	0.369	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	119	179.8	-146.5	178.9	-172.5	0	0	111.4	M1583 T1612 N1649 I1650	M1583-E1610 HydrophobicContact SD-CB 4.49Å; E1610-T1612 HydrophobicContact CB-CG2 4.43Å; E1610-T1612 HydrophobicContact CG-CG2 3.83Å; E1610-N1649 CarbonylContact C-O 3.54Å; E1610-N1649 VanDerWaalsContact CA-O 3.25Å; E1610-N1649 WeakPolarHBondContact CA-O 3.26Å; E1610-N1649 HydrophobicContact CG-CB 4.3Å; E1610-N1649 WeakPolarHBondContact CG-O 3.38Å; E1610-I1650 HydrophobicContact CG-CG1 4.12Å
1611	L	53.7	Low	53.6	Low	86 Å²	86	78.9 Å²	78.9	45%	0.45	40%	0.4	S	S	.	.			trans	-103.7	72.5	-173.3	-63.4	176	0	0	0	110.7	P1580 I1609 S1613 N1649 M1651	P1580-L1611 HydrophobicContact CG-CD2 3.97Å; I1609-L1611 HydrophobicContact CG2-CD2 4Å; I1609-L1611 HydrophobicContact CG2-CG 4.42Å; L1611-S1613 PolarHBondContact O-N 2.87Å; L1611-N1649 PolarHBondContact N-O 3.49Å; L1611-N1649 VanDerWaalsContact O-CB 3.29Å; L1611-N1649 WeakPolarHBondContact O-CB 3.46Å; L1611-M1651 HydrophobicContact CD1-CB 3.81Å; L1611-M1651 HydrophobicContact CD1-SD 4.29Å; L1611-M1651 HydrophobicContact CG-CB 4.36Å
1612	T	47.1	Very low	51.6	Low	75 Å²	75	85 Å²	85	46%	0.46	43%	0.428	S	S	.	.			trans	-84.6	116.7	-163.5	47.4	0	0	0	0	116.2	E1610 N1649	E1610-T1612 HydrophobicContact CB-CG2 4.43Å; E1610-T1612 HydrophobicContact CG-CG2 3.83Å; T1612-N1649 HydrophobicContact CG2-CB 4.22Å
1613	S	37.9	Very low	49.9	Very low	47 Å²	47	90.6 Å²	90.6	33%	0.329	45%	0.452	S	S	.	.			trans	75.7	107.6	156.9	80.9	0	0	0	0	120	L1611 Q1615	L1611-S1613 PolarHBondContact O-N 2.87Å; S1613-Q1615 PolarHBondContact O-N 2.98Å
1614	S	31.2	Very low	47.6	Very low	97 Å²	97	92.2 Å²	92.2	68%	0.678	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	28.4	173.8	-43.9	0	0	0	0	115.1	N1618	S1614-N1618 PolarHBondContact O-ND2 3.03Å
1615	Q	33.7	Very low	45.6	Very low	162 Å²	162	96.4 Å²	96.4	76%	0.757	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	-26.1	-179.5	-80	-174.7	-32.7	0	0	114.6	S1613	S1613-Q1615 PolarHBondContact O-N 2.98Å
1616	Q	36.8	Very low	43.2	Very low	152 Å²	152	96.8 Å²	96.8	71%	0.71	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-36.5	174	-70	179.4	-23.1	0	0	111.8	N1618 N1619	Q1616-N1618 PolarHBondContact O-N 2.77Å; Q1616-N1619 PolarHBondContact O-N 2.62Å
1617	I	34.8	Very low	41.2	Very low	88 Å²	88	96.4 Å²	96.4	45%	0.451	50%	0.496	S	S	.	.	H	α-helix	trans	-64.3	-39	177.7	-61.5	176.1	0	0	0	111.6	N1619 H1620 L1621	I1617-N1619 PolarHBondContact O-N 2.84Å; I1617-H1620 PolarHBondContact O-N 2.95Å; I1617-L1621 HydrophobicContact CG2-CD1 3.46Å; I1617-L1621 VanDerWaalsContact CG2-CD1 3.46Å; I1617-L1621 PolarHBondContact O-N 3.49Å
1618	N	31.3	Very low	38.8	Very low	96 Å²	96	99.3 Å²	99.3	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-65	-20.2	179.8	-83.7	-25	0	0	0	114.3	S1614 Q1616	S1614-N1618 PolarHBondContact O-ND2 3.03Å; Q1616-N1618 PolarHBondContact O-N 2.77Å
1619	N	31.3	Very low	37	Very low	120 Å²	120	103 Å²	103	64%	0.642	54%	0.542	S	S	*	.	H	α-helix	trans	-90.4	-16.1	178.2	-70.4	-7.3	0	0	0	113.3	Q1616 I1617	Q1616-N1619 PolarHBondContact O-N 2.62Å; I1617-N1619 PolarHBondContact O-N 2.84Å
1620	H	33.9	Very low	35.2	Very low	163 Å²	163	108.8 Å²	108.8	76%	0.755	57%	0.572	S	S	*	*	H	α-helix	trans	-99.9	-29.7	178.4	-98.1	-82.2	0	0	0	113.7	I1617 Q1622	I1617-H1620 PolarHBondContact O-N 2.95Å; H1620-Q1622 PolarHBondContact O-N 2.6Å
1621	L	31.9	Very low	33.8	Very low	140 Å²	140	113.4 Å²	113.4	73%	0.733	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	5.1	176.5	-89.9	134.6	0	0	0	115	I1617	I1617-L1621 HydrophobicContact CG2-CD1 3.46Å; I1617-L1621 VanDerWaalsContact CG2-CD1 3.46Å; I1617-L1621 PolarHBondContact O-N 3.49Å
1622	Q	32.9	Very low	32.5	Very low	159 Å²	159	116.7 Å²	116.7	74%	0.743	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-2.4	171.1	-72.3	-174.3	-11.6	0	0	113.9	H1620	H1620-Q1622 PolarHBondContact O-N 2.6Å
1623	K	30.6	Very low	31.6	Very low	189 Å²	189	117.6 Å²	117.6	82%	0.822	61%	0.613	S	S	*	*	S	Bend	trans	-147.9	66.5	-176.4	-67.8	-173.9	179	178.5	0	113.7
1624	S	28.9	Very low	31.3	Very low	83 Å²	83	121.1 Å²	121.1	58%	0.58	63%	0.627	S	S	*	*			trans	-170.3	105.1	150	-165.8	0	0	0	0	110.9	D1626	S1624-D1626 PolarHBondContact O-N 2.69Å; S1624-D1626 WeakPolarHBondContact OG-CB 3.35Å; S1624-D1626 PolarHBondContact OG-N 3.34Å
1625	E	28.6	Very low	31.3	Very low	195 Å²	195	123.6 Å²	123.6	91%	0.911	63%	0.633	S	S	*	*			trans	-78.3	58.6	161.1	-65.6	175.7	139.4	0	0	108.7	T1544	T1544-E1625 WeakPolarHBondContact CG2-O 3.26Å
1626	D	29.6	Very low	31.2	Very low	40 Å²	40	125 Å²	125	21%	0.214	64%	0.639	C	S	.	*			trans	-150.5	58.6	-175	-147.2	55.3	0	0	0	114.9	T1544 S1545 I1546 S1624	T1544-D1626 WeakPolarHBondContact CA-OD1 3.45Å; T1544-D1626 VanDerWaalsContact CG2-CA 3.48Å; S1545-D1626 WeakPolarHBondContact CA-OD1 3.38Å; S1545-D1626 WeakPolarHBondContact CA-OD2 3.21Å; S1545-D1626 VanDerWaalsContact CB-O 3.25Å; S1545-D1626 WeakPolarHBondContact CB-O 3.43Å; S1545-D1626 WeakPolarHBondContact CB-OD2 3.36Å; I1546-D1626 PolarHBondContact N-OD2 2.92Å; S1624-D1626 PolarHBondContact O-N 2.69Å; S1624-D1626 WeakPolarHBondContact OG-CB 3.35Å; S1624-D1626 PolarHBondContact OG-N 3.34Å
1627	D	31.4	Very low	30.8	Very low	38 Å²	38	122.7 Å²	122.7	20%	0.203	63%	0.631	C	S	.	*			trans	-154.1	139.4	145.1	174.3	-115.7	0	0	0	114.5	T1544 S1629 L1630 R1631	T1544-D1627 VanDerWaalsContact CB-N 3.34Å; D1627-S1629 PolarHBondContact OD2-N 3.28Å; D1627-S1629 PolarHBondContact OD2-OG 3.4Å; D1627-L1630 WeakPolarHBondContact OD1-CB 3.5Å; D1627-L1630 PolarHBondContact OD1-N 2.93Å; D1627-L1630 PolarHBondContact OD2-N 2.86Å; D1627-R1631 PolarHBondContact O-NE 2.99Å
1628	S	31.8	Very low	30.6	Very low	66 Å²	66	123.7 Å²	123.7	46%	0.462	64%	0.637	S	S	.	*	S	Bend	trans	-133.9	-11	167.4	67.5	0	0	0	0	114.3	Y1543 T1544	Y1543-S1628 PolarHBondContact O-OG 2.85Å; T1544-S1628 PolarHBondContact O-OG 3.06Å; T1544-S1628 WeakPolarHBondContact OG1-CB 3.47Å; T1544-S1628 PolarHBondContact OG1-N 2.81Å; T1544-S1628 PolarHBondContact OG1-OG 3.42Å; T1544-S1628 VanDerWaalsContact OG1-OG 3.13Å
1629	S	33.7	Very low	30.6	Very low	82 Å²	82	123.6 Å²	123.6	57%	0.573	64%	0.644	S	S	*	*	S	Bend	trans	-90.2	-22.7	-174.5	67.6	0	0	0	0	113.5	D1627	D1627-S1629 PolarHBondContact OD2-N 3.28Å; D1627-S1629 PolarHBondContact OD2-OG 3.4Å
1630	L	30.2	Very low	30.6	Very low	127 Å²	127	122.6 Å²	122.6	67%	0.665	65%	0.646	S	S	*	*	S	Bend	trans	-103	2.3	-179.3	-85.9	154.2	0	0	0	114.2	D1627 L1632	D1627-L1630 WeakPolarHBondContact OD1-CB 3.5Å; D1627-L1630 PolarHBondContact OD1-N 2.93Å; D1627-L1630 PolarHBondContact OD2-N 2.86Å; L1630-L1632 VanDerWaalsContact C-N 3.28Å; L1630-L1632 PolarHBondContact O-N 3.09Å
1631	R	28.2	Very low	30.6	Very low	177 Å²	177	121.4 Å²	121.4	67%	0.668	65%	0.645	S	S	*	*			trans	-79.7	-0.7	178.6	-66.6	-174.2	175.7	-169.7	-1.9	115.1	D1627	D1627-R1631 PolarHBondContact O-NE 2.99Å
1632	L	27	Very low	30.4	Very low	155 Å²	155	119.8 Å²	119.8	81%	0.812	64%	0.636	S	S	*	*	S	Bend	trans	-100.9	76.6	-174.8	-76.7	159	0	0	0	112.8	L1630	L1630-L1632 VanDerWaalsContact C-N 3.28Å; L1630-L1632 PolarHBondContact O-N 3.09Å
1633	S	28.7	Very low	30.2	Very low	93 Å²	93	122.9 Å²	122.9	65%	0.65	64%	0.641	S	S	*	*	S	Bend	trans	-173.1	-18.3	162.5	48.6	0	0	0	0	116.3
1634	I	30.2	Very low	30.2	Very low	122 Å²	122	124.6 Å²	124.6	63%	0.626	64%	0.642	S	S	*	*	S	Bend	trans	-104.5	-23.9	-167.4	-65.6	169.9	0	0	0	113.9
1635	N	31	Very low	30.3	Very low	149 Å²	149	124.1 Å²	124.1	80%	0.797	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	7.6	-171.8	-70.2	-5.5	0	0	0	115.7
1636	H	32.4	Very low	30.4	Very low	191 Å²	191	123.2 Å²	123.2	88%	0.884	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	17.1	-179.2	-98.8	-73.8	0	0	0	114.2	D1638	H1636-D1638 PolarHBondContact O-N 3.36Å
1637	L	29.3	Very low	30.5	Very low	104 Å²	104	126.4 Å²	126.4	55%	0.545	65%	0.652	S	S	.	*	S	Bend	trans	-78.1	112.6	168.5	-93.8	159	0	0	0	109.6
1638	D	29.7	Very low	30.9	Very low	108 Å²	108	128.6 Å²	128.6	58%	0.578	67%	0.667	S	S	*	*			trans	-59.4	139.6	178.5	-167.6	4.6	0	0	0	111.3	H1636 S1640	H1636-D1638 PolarHBondContact O-N 3.36Å; D1638-S1640 PolarHBondContact O-N 3.27Å
1639	S	32	Very low	31.7	Very low	94 Å²	94	128.9 Å²	128.9	66%	0.657	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-74.3	-6.4	-154	64.8	0	0	0	0	115.1	L1641	S1639-L1641 PolarHBondContact O-N 3.44Å
1640	S	31.3	Very low	32.8	Very low	100 Å²	100	126.9 Å²	126.9	70%	0.699	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-74.9	-16	-175.4	58.6	0	0	0	0	115	D1638	D1638-S1640 PolarHBondContact O-N 3.27Å
1641	L	32.3	Very low	33.9	Very low	137 Å²	137	124.4 Å²	124.4	72%	0.717	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-92.4	4.6	-175.3	-68.7	172.7	0	0	0	115	S1639	S1639-L1641 PolarHBondContact O-N 3.44Å
1642	I	27.8	Very low	35.4	Very low	107 Å²	107	119.1 Å²	119.1	55%	0.549	62%	0.617	S	S	.	*			trans	-99.4	96.5	-170.8	-53.9	177	0	0	0	112.1	R1644	I1642-R1644 HydrophobicContact CG2-CG 4.17Å
1643	R	30	Very low	37.2	Very low	224 Å²	224	113.3 Å²	113.3	85%	0.845	59%	0.588	S	S	*	*			trans	-101.1	106.4	167.2	-76.3	-169.1	176	-161.7	-0.6	111.9
1644	R	30.2	Very low	39	Very low	224 Å²	224	113.9 Å²	113.9	85%	0.845	58%	0.584	S	S	*	*			trans	-84.4	114.3	175.8	-64.7	177.9	176.8	-169.4	-3.6	111.5	I1642	I1642-R1644 HydrophobicContact CG2-CG 4.17Å
1645	S	30.1	Very low	40.9	Very low	74 Å²	74	113.4 Å²	113.4	52%	0.517	58%	0.578	S	S	.	*			trans	-74	160.3	162.8	57.3	0	0	0	0	111.2
1646	R	32.5	Very low	42.5	Very low	176 Å²	176	112.1 Å²	112.1	66%	0.664	57%	0.568	S	S	*	*	S	Bend	trans	-87.9	143.7	175.4	-73.8	-179.9	172.4	150.4	-0.8	110.7
1647	S	31.4	Very low	44.1	Very low	106 Å²	106	109 Å²	109	74%	0.741	55%	0.548	S	S	*	.	S	Bend	trans	70	137.1	-173.8	73.2	0	0	0	0	115.5
1648	V	38.7	Very low	46.3	Very low	84 Å²	84	104.1 Å²	104.1	51%	0.509	52%	0.522	S	S	.	.	S	Bend	trans	56.5	106.9	175.7	-169.1	0	0	0	0	116.2	I1650	V1648-I1650 VanDerWaalsContact C-N 3.29Å; V1648-I1650 HydrophobicContact CG1-CD1 4.43Å; V1648-I1650 WeakPolarHBondContact O-CB 3.4Å; V1648-I1650 WeakPolarHBondContact O-CG1 3.37Å; V1648-I1650 PolarHBondContact O-N 2.84Å
1649	N	48.3	Very low	48.2	Very low	72 Å²	72	105.3 Å²	105.3	39%	0.385	52%	0.519	S	S	.	.	S	Bend	trans	31.7	35.7	132.9	-54.1	-13.1	0	0	0	120.1	E1610 L1611 T1612	E1610-N1649 CarbonylContact C-O 3.54Å; E1610-N1649 VanDerWaalsContact CA-O 3.25Å; E1610-N1649 WeakPolarHBondContact CA-O 3.26Å; E1610-N1649 HydrophobicContact CG-CB 4.3Å; E1610-N1649 WeakPolarHBondContact CG-O 3.38Å; L1611-N1649 PolarHBondContact N-O 3.49Å; L1611-N1649 VanDerWaalsContact O-CB 3.29Å; L1611-N1649 WeakPolarHBondContact O-CB 3.46Å; T1612-N1649 HydrophobicContact CG2-CB 4.22Å
1650	I	57.5	Low	49.7	Very low	41 Å²	41	108 Å²	108	21%	0.21	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.1	-171.2	-67.7	169.7	0	0	0	111.2	I1608 E1610 V1648	I1608-I1650 HydrophobicContact CB-CG2 3.83Å; I1608-I1650 HydrophobicContact CD1-CD1 4.23Å; I1608-I1650 HydrophobicContact CD1-CG1 4.2Å; I1608-I1650 HydrophobicContact CD1-CG2 3.8Å; I1608-I1650 HydrophobicContact CG1-CG2 4.44Å; I1608-I1650 HydrophobicContact CG2-CG2 3.76Å; E1610-I1650 HydrophobicContact CG-CG1 4.12Å; V1648-I1650 VanDerWaalsContact C-N 3.29Å; V1648-I1650 HydrophobicContact CG1-CD1 4.43Å; V1648-I1650 WeakPolarHBondContact O-CB 3.4Å; V1648-I1650 WeakPolarHBondContact O-CG1 3.37Å; V1648-I1650 PolarHBondContact O-N 2.84Å
1651	M	52.7	Low	51.3	Low	74 Å²	74	105 Å²	105	37%	0.365	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	121	176.6	178.1	174.8	72.2	0	0	110.8	I1608 I1609 L1611 V1653	I1608-M1651 CarbonylContact C-O 3.47Å; I1608-M1651 VanDerWaalsContact CA-O 3.3Å; I1608-M1651 WeakPolarHBondContact CA-O 3.44Å; I1609-M1651 HydrophobicContact CB-CE 4.05Å; I1609-M1651 HydrophobicContact CD1-CE 4.2Å; I1609-M1651 HydrophobicContact CG2-CE 3.94Å; I1609-M1651 PolarHBondContact N-O 3.33Å; I1609-M1651 PolarHBondContact O-N 3.47Å; L1611-M1651 HydrophobicContact CD1-CB 3.81Å; L1611-M1651 HydrophobicContact CD1-SD 4.29Å; L1611-M1651 HydrophobicContact CG-CB 4.36Å; M1651-V1653 HydrophobicContact CE-CG1 4.09Å
1652	D	60.9	Low	52.9	Low	67 Å²	67	101 Å²	101	36%	0.358	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	142.5	170.9	-79.6	-46.1	0	0	0	111.4	R1606 I1608	R1606-D1652 WeakPolarHBondContact CB-OD1 3.49Å; R1606-D1652 WeakPolarHBondContact CD-OD1 3.44Å; R1606-D1652 WeakPolarHBondContact CG-OD1 3.46Å; I1608-D1652 WeakPolarHBondContact CG2-OD1 3.24Å
1653	V	64.7	Low	54.5	Low	33 Å²	33	100.5 Å²	100.5	20%	0.2	51%	0.511	C	S	.	.			trans	-142.8	168.5	176.5	-79	0	0	0	0	112.7	P1582 C1607 I1609 M1651	P1582-V1653 HydrophobicContact CB-CG2 4.47Å; C1607-V1653 PolarHBondContact O-N 3.15Å; I1609-V1653 HydrophobicContact CD1-CG1 3.94Å; I1609-V1653 HydrophobicContact CD1-CG2 3.89Å; I1609-V1653 HydrophobicContact CG1-CG1 4.49Å; I1609-V1653 HydrophobicContact CG1-CG2 3.83Å; M1651-V1653 HydrophobicContact CE-CG1 4.09Å
1654	D	65.3	Low	56.5	Low	105 Å²	105	94.3 Å²	94.3	56%	0.561	49%	0.49	S	S	*	.			trans	-54.5	140.2	178.5	-160.5	-45.6	0	0	0	112.6	C1607 E1656 R1657	C1607-D1654 PolarHBondContact SG-O 3.45Å; C1607-D1654 VanDerWaalsContact SG-O 3.39Å; D1654-E1656 PolarHBondContact O-N 2.92Å; D1654-E1656 PolarHBondContact OD1-N 2.75Å; D1654-R1657 WeakPolarHBondContact O-CB 3.24Å; D1654-R1657 PolarHBondContact O-N 3.13Å
1655	Q	70.5	Confident	58.7	Low	111 Å²	111	85.3 Å²	85.3	52%	0.519	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.6	177.4	-66.3	-174.2	56.1	0	0	112.8	W1584 R1657 C1658	W1584-Q1655 HydrophobicContact CH2-CB 4.37Å; W1584-Q1655 HydrophobicContact CH2-CG 4.48Å; W1584-Q1655 HydrophobicContact CZ3-CG 4.48Å; Q1655-R1657 PolarHBondContact O-N 3.08Å; Q1655-C1658 PolarHBondContact O-N 3.29Å
1656	E	65.5	Low	60.4	Low	122 Å²	122	87 Å²	87	57%	0.57	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.1	170.5	-79.9	-87.4	92.5	0	0	112.1	D1654 R1659	D1654-E1656 PolarHBondContact O-N 2.92Å; D1654-E1656 PolarHBondContact OD1-N 2.75Å; E1656-R1659 WeakPolarHBondContact O-CB 3.18Å; E1656-R1659 PolarHBondContact O-N 3.49Å; E1656-R1659 IonicContact OE1-CZ 2.71Å; E1656-R1659 IonicContact OE1-NH1 3.99Å; E1656-R1659 PolarHBondContact OE1-NH1 3.26Å; E1656-R1659 IonicContact OE2-NH1 3.9Å
1657	R	66.1	Low	62	Low	127 Å²	127	81.3 Å²	81.3	48%	0.479	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-71.2	-33.5	178.9	-63.8	-165.1	179.4	-153.4	-0.4	112.5	P1582 D1654 Q1655 R1659	P1582-R1657 HydrophobicContact CB-CB 3.94Å; P1582-R1657 HydrophobicContact CG-CB 4.13Å; P1582-R1657 WeakPolarHBondContact CG-O 2.99Å; D1654-R1657 WeakPolarHBondContact O-CB 3.24Å; D1654-R1657 PolarHBondContact O-N 3.13Å; Q1655-R1657 PolarHBondContact O-N 3.08Å; R1657-R1659 PolarHBondContact O-N 3.23Å
1658	C	74.9	Confident	63.8	Low	0 Å²	0	82.5 Å²	82.5	0%	0	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-79.5	5.4	175.4	-73	0	0	0	0	114.3	W1584 C1607 Q1655 N1660 A1661	W1584-C1658 HydrophobicContact CD2-CB 3.83Å; W1584-C1658 VanDerWaalsContact CE2-CB 3.48Å; W1584-C1658 HydrophobicContact CE3-CB 4.11Å; W1584-C1658 HydrophobicContact CH2-CB 3.8Å; W1584-C1658 HydrophobicContact CZ2-CB 3.48Å; W1584-C1658 VanDerWaalsContact CZ2-CB 3.48Å; W1584-C1658 HydrophobicContact CZ3-CB 4.1Å; W1584-C1658 PolarHBondContact NE1-O 3.5Å; C1607-C1658 WeakPolarHBondContact CA-SG 3.4Å; C1607-C1658 HydrophobicContact CB-CB 3.84Å; C1607-C1658 WeakPolarHBondContact CB-SG 3.49Å; C1607-C1658 WeakPolarHBondContact SG-CB 3.45Å; C1607-C1658 PolarHBondContact SG-N 2.81Å; C1607-C1658 VanDerWaalsContact SG-N 3.4Å; C1607-C1658 CovalentContact SG-SG 2.02Å; C1607-C1658 PolarHBondContact SG-SG 3.21Å; Q1655-C1658 PolarHBondContact O-N 3.29Å; C1658-N1660 PolarHBondContact O-N 2.89Å; C1658-N1660 VanDerWaalsContact O-N 3.14Å; C1658-A1661 HydrophobicContact CB-CB 3.96Å; C1658-A1661 VanDerWaalsContact O-CB 3.31Å; C1658-A1661 WeakPolarHBondContact O-CB 3.39Å; C1658-A1661 PolarHBondContact O-N 2.69Å
1659	R	68.9	Low	65.4	Low	134 Å²	134	83.2 Å²	83.2	51%	0.506	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-59.8	-25.9	-178.1	-167	168.7	-175.8	153.8	1.7	113.8	Y762 E1656 R1657	Y762-R1659 PolarHBondContact OH-NH2 2.03Å; E1656-R1659 WeakPolarHBondContact O-CB 3.18Å; E1656-R1659 PolarHBondContact O-N 3.49Å; E1656-R1659 IonicContact OE1-CZ 2.71Å; E1656-R1659 IonicContact OE1-NH1 3.99Å; E1656-R1659 PolarHBondContact OE1-NH1 3.26Å; E1656-R1659 IonicContact OE2-NH1 3.9Å; R1657-R1659 PolarHBondContact O-N 3.23Å
1660	N	64.5	Low	65.8	Low	149 Å²	149	85.1 Å²	85.1	80%	0.797	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-101.9	-1.9	174.9	-64.4	-15	0	0	0	113.7	C1658 G1662	C1658-N1660 PolarHBondContact O-N 2.89Å; C1658-N1660 VanDerWaalsContact O-N 3.14Å; N1660-G1662 PolarHBondContact O-N 3.26Å
1661	A	65.1	Low	66.1	Low	38 Å²	38	84.3 Å²	84.3	31%	0.314	45%	0.451	S	S	.	.	S	Bend	trans	-82.1	30.1	-170.7	0	0	0	0	0	114.4	P1582 C1658	P1582-A1661 WeakPolarHBondContact O-CB 3.43Å; C1658-A1661 HydrophobicContact CB-CB 3.96Å; C1658-A1661 VanDerWaalsContact O-CB 3.31Å; C1658-A1661 WeakPolarHBondContact O-CB 3.39Å; C1658-A1661 PolarHBondContact O-N 2.69Å
1662	G	66	Low	66	Low	53 Å²	53	86.6 Å²	86.6	55%	0.546	47%	0.465	S	S	.	.	S	Bend	trans	74.2	-176.5	-169.4	0	0	0	0	0	113.8	W1584 N1660 K1664	W1584-G1662 PolarHBondContact NE1-O 2.69Å; W1584-G1662 VanDerWaalsContact NE1-O 3.14Å; N1660-G1662 PolarHBondContact O-N 3.26Å; G1662-K1664 PolarHBondContact O-N 3.02Å
1663	A	59.9	Low	65.8	Low	96 Å²	96	85.8 Å²	85.8	79%	0.793	46%	0.459	S	S	*	.	S	Bend	trans	-66.7	128.7	-175.9	0	0	0	0	0	111.8
1664	K	73.8	Confident	64.9	Low	94 Å²	94	91.9 Å²	91.9	41%	0.409	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-56.5	126.5	173.3	-172.9	172.5	-178.6	174.7	0	109.5	W1584 I1605 G1662	W1584-K1664 HydrophobicContact CD2-CB 4.28Å; W1584-K1664 HydrophobicContact CD2-CG 4.1Å; W1584-K1664 HydrophobicContact CE3-CG 4.09Å; W1584-K1664 HydrophobicContact CH2-CB 4.35Å; W1584-K1664 HydrophobicContact CH2-CD 3.67Å; W1584-K1664 HydrophobicContact CH2-CG 3.91Å; W1584-K1664 HydrophobicContact CZ2-CB 3.83Å; W1584-K1664 HydrophobicContact CZ2-CD 3.99Å; W1584-K1664 HydrophobicContact CZ2-CG 3.9Å; W1584-K1664 HydrophobicContact CZ3-CD 3.99Å; W1584-K1664 HydrophobicContact CZ3-CG 4Å; I1605-K1664 HydrophobicContact CD1-CG 4.38Å; G1662-K1664 PolarHBondContact O-N 3.02Å
1665	P	74.9	Confident	64.3	Low	36 Å²	36	92.2 Å²	92.2	23%	0.234	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-56.8	156.7	179.1	-26.6	34	0	0	0	112.8	W1584 A1586 I1605	W1584-P1665 HydrophobicContact CB-CG 3.95Å; A1586-P1665 HydrophobicContact CB-CB 4.27Å; A1586-P1665 HydrophobicContact CB-CG 4.37Å; I1605-P1665 HydrophobicContact CD1-CB 4.08Å; I1605-P1665 WeakPolarHBondContact CD1-O 3.5Å
1666	I	65.8	Low	63.6	Low	110 Å²	110	91.2 Å²	91.2	56%	0.564	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-65.9	136.4	169.7	57.1	168.9	0	0	0	110.6	W1589 R1603	W1589-I1666 HydrophobicContact CH2-CD1 4.02Å; W1589-I1666 HydrophobicContact CH2-CG1 3.95Å; W1589-I1666 HydrophobicContact CZ2-CD1 3.89Å; W1589-I1666 HydrophobicContact CZ2-CG1 3.88Å; R1603-I1666 VanDerWaalsContact CZ-O 3.28Å; R1603-I1666 PolarHBondContact NE-O 2.83Å; R1603-I1666 PolarHBondContact NH2-O 3.5Å
1667	S	66	Low	62.8	Low	56 Å²	56	87.8 Å²	87.8	39%	0.392	49%	0.487	S	S	.	.			trans	-101.1	-7.1	-179.7	38.5	0	0	0	0	114.4	R1603	R1603-S1667 PolarHBondContact N-O 2.83Å
1668	E	69.2	Low	62.7	Low	131 Å²	131	82.8 Å²	82.8	61%	0.612	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.5	146	-176.7	60.2	-167.7	-174	0	0	110.3	I1600 Q1601	I1600-E1668 HydrophobicContact CG2-CB 4.4Å; Q1601-E1668 WeakPolarHBondContact O-CA 3.3Å
1669	R	72	Confident	62.1	Low	99 Å²	99	87.8 Å²	87.8	37%	0.374	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	149.8	169.5	72.3	178.6	-173.4	-170.2	-0.9	112	W1589 I1600 Q1601	W1589-R1669 HydrophobicContact CD2-CG 4.17Å; W1589-R1669 HydrophobicContact CE3-CG 3.87Å; W1589-R1669 HydrophobicContact CH2-CB 3.84Å; W1589-R1669 HydrophobicContact CH2-CG 3.82Å; W1589-R1669 HydrophobicContact CZ2-CB 4.33Å; W1589-R1669 HydrophobicContact CZ2-CG 4.12Å; W1589-R1669 HydrophobicContact CZ3-CB 4.07Å; W1589-R1669 HydrophobicContact CZ3-CG 3.71Å; I1600-R1669 WeakPolarHBondContact CA-O 2.99Å; Q1601-R1669 HydrophobicContact CB-CG 3.99Å; Q1601-R1669 HydrophobicContact CG-CG 4.2Å; Q1601-R1669 PolarHBondContact N-O 3.4Å; Q1601-R1669 PolarHBondContact O-N 2.94Å
1670	P	57.7	Low	62.3	Low	112 Å²	112	84.1 Å²	84.1	73%	0.727	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	155.4	176.3	31.4	-35.6	0	0	0	113.1	G1599	G1599-P1670 CarbonylContact O-C 3.57Å; G1599-P1670 WeakPolarHBondContact O-CA 3.39Å
1671	C	63.6	Low	62.7	Low	23 Å²	23	80.8 Å²	80.8	16%	0.155	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	170.9	177.4	53.2	0	0	0	0	111.6	C1592 G1599 Q1601	C1592-C1671 WeakPolarHBondContact CA-SG 3.37Å; C1592-C1671 HydrophobicContact CB-CB 4Å; C1592-C1671 WeakPolarHBondContact CB-SG 3.47Å; C1592-C1671 WeakPolarHBondContact SG-CB 3.36Å; C1592-C1671 CovalentContact SG-SG 2.03Å; C1592-C1671 PolarHBondContact SG-SG 3.25Å; G1599-C1671 PolarHBondContact N-O 2.05Å; G1599-C1671 PolarHBondContact O-N 2.95Å; G1599-C1671 PolarHBondContact O-SG 3.07Å; G1599-C1671 VanDerWaalsContact O-SG 3.36Å; Q1601-C1671 HydrophobicContact CG-CB 3.78Å; Q1601-C1671 WeakPolarHBondContact CG-SG 3.32Å
1672	L	51.1	Low	63.2	Low	123 Å²	123	85.6 Å²	85.6	64%	0.644	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.4	-174.7	-72.8	166.5	0	0	0	111.6	Y1598	Y1598-L1672 HydrophobicContact CD1-CD2 3.72Å; Y1598-L1672 HydrophobicContact CE1-CD2 3.56Å
1673	I	56	Low	63.7	Low	49 Å²	49	84 Å²	84	25%	0.251	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	111.7	-176	-56.9	179.6	0	0	0	110.2	E1597 Y1598	E1597-I1673 PolarHBondContact O-N 3.22Å; Y1598-I1673 WeakPolarHBondContact O-CD1 3.34Å
1674	N	45.1	Very low	64.5	Low	162 Å²	162	87.2 Å²	87.2	87%	0.866	45%	0.446	S	S	*	.			trans	-110.4	55.5	-163.6	-159.9	1	0	0	0	113.8
1675	L	54	Low	64.5	Low	112 Å²	112	85.5 Å²	85.5	59%	0.586	44%	0.437	S	S	*	.	S	Bend	trans	-139.7	139.2	-177.1	-91.1	157.2	0	0	0	111.9	C1677 I1745	L1675-C1677 PolarHBondContact O-N 3.19Å; L1675-I1745 HydrophobicContact CD1-CG2 4.29Å; L1675-I1745 HydrophobicContact CD2-CG2 4.4Å
1676	S	54.7	Low	64.7	Low	90 Å²	90	86 Å²	86	63%	0.629	44%	0.442	S	S	*	.			trans	-80	114.7	-168.2	-40.2	0	0	0	0	114.2	S1706	S1676-S1706 WeakPolarHBondContact CB-OG 3.36Å
1677	C	49.3	Very low	65.2	Low	50 Å²	50	89.8 Å²	89.8	34%	0.338	45%	0.454	S	S	.	.			trans	-80.3	154.2	-173.7	-62.1	0	0	0	0	115	C1596 L1675	C1596-C1677 HydrophobicContact CB-CB 4.2Å; C1596-C1677 WeakPolarHBondContact CB-SG 3.07Å; C1596-C1677 WeakPolarHBondContact SG-CB 3.1Å; C1596-C1677 CovalentContact SG-SG 2.04Å; C1596-C1677 PolarHBondContact SG-SG 2.71Å; L1675-C1677 PolarHBondContact O-N 3.19Å
1678	P	64.4	Low	65.9	Low	22 Å²	22	88.1 Å²	88.1	14%	0.143	44%	0.442	C	S	.	.			trans	-82.4	146.3	173.2	-8.1	27.2	0	0	0	113.2	R1704 I1711 R1749 K1750	P1678-R1704 CarbonylContact C-O 3.48Å; P1678-R1704 WeakPolarHBondContact CA-O 3.37Å; P1678-I1711 HydrophobicContact CB-CD1 4.04Å; P1678-R1749 HydrophobicContact CB-CB 4.44Å; P1678-R1749 HydrophobicContact CG-CB 3.7Å; P1678-R1749 HydrophobicContact CG-CG 4.02Å; P1678-K1750 WeakPolarHBondContact CG-O 3.49Å
1679	Y	61.8	Low	66	Low	104 Å²	104	85.7 Å²	85.7	41%	0.408	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	152.2	-175.2	66.5	-87.2	0	0	0	112.8	Y1681 R1704 S1705 C1751	Y1679-Y1681 HydrophobicContact CE2-CD2 4.21Å; Y1679-Y1681 PolarHBondContact O-N 2.83Å; Y1679-Y1681 VanDerWaalsContact O-N 3.13Å; Y1679-R1704 WeakPolarHBondContact CD1-O 3.32Å; Y1679-R1704 HydrophobicContact CE1-CB 4.29Å; Y1679-R1704 HydrophobicContact CE2-CB 4.33Å; Y1679-R1704 PolarHBondContact N-O 2.94Å; Y1679-R1704 PolarHBondContact O-N 2.79Å; Y1679-S1705 WeakPolarHBondContact CE1-O 3.12Å; Y1679-C1751 PolarHBondContact O-SG 3.41Å
1680	W	73.4	Confident	65.5	Low	57 Å²	57	83.4 Å²	83.4	22%	0.216	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	103.9	172.2	-75.6	110.3	0	0	0	111.2	K1682 V1701 C1703 C1751 L1752 G1753 R1755 P1756	W1680-K1682 PolarHBondContact O-N 3.35Å; W1680-V1701 HydrophobicContact CE3-CG1 3.82Å; W1680-V1701 HydrophobicContact CZ3-CG1 4.15Å; W1680-C1703 HydrophobicContact CZ3-CB 4.45Å; W1680-C1751 HydrophobicContact CD2-CB 3.88Å; W1680-C1751 HydrophobicContact CG-CB 4.08Å; W1680-C1751 HydrophobicContact CZ2-CB 4.12Å; W1680-L1752 PolarHBondContact NE1-O 2.85Å; W1680-G1753 PolarHBondContact NE1-O 2.76Å; W1680-R1755 HydrophobicContact CH2-CB 3.87Å; W1680-R1755 HydrophobicContact CH2-CG 3.95Å; W1680-R1755 HydrophobicContact CZ2-CB 3.81Å; W1680-R1755 HydrophobicContact CZ2-CG 4.39Å; W1680-R1755 HydrophobicContact CZ3-CB 4.37Å; W1680-R1755 HydrophobicContact CZ3-CG 4.06Å; W1680-P1756 HydrophobicContact CB-CG 3.98Å; W1680-P1756 HydrophobicContact CG-CG 4.36Å
1681	Y	73.2	Confident	65.8	Low	79 Å²	79	85.4 Å²	85.4	31%	0.31	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	113.4	169.9	-179.7	-93	0	0	0	110.3	Y1679 A1702 R1704	Y1679-Y1681 HydrophobicContact CE2-CD2 4.21Å; Y1679-Y1681 PolarHBondContact O-N 2.83Å; Y1679-Y1681 VanDerWaalsContact O-N 3.13Å; Y1681-A1702 WeakPolarHBondContact CA-O 3.42Å; Y1681-A1702 WeakPolarHBondContact CB-O 3.5Å; Y1681-A1702 PolarHBondContact N-O 2.84Å; Y1681-A1702 PolarHBondContact O-N 3.48Å; Y1681-R1704 VanDerWaalsContact CE1-CZ 3.43Å; Y1681-R1704 VanDerWaalsContact CE1-NH2 3.27Å; Y1681-R1704 VanDerWaalsContact CE2-NH1 3.33Å; Y1681-R1704 HydrophobicContact CG-CG 4.34Å
1682	K	76	Confident	65.7	Low	139 Å²	139	86 Å²	86	60%	0.604	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	124.7	162.9	64.8	-159.7	177.9	-169	0	108.4	W1680	W1680-K1682 PolarHBondContact O-N 3.35Å
1683	S	75.5	Confident	66.1	Low	20 Å²	20	80.6 Å²	80.6	14%	0.14	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-77.7	169.2	163.6	62.3	0	0	0	0	110.8	Q1700	S1683-Q1700 WeakPolarHBondContact CB-O 3.4Å; S1683-Q1700 PolarHBondContact N-O 2.86Å; S1683-Q1700 VanDerWaalsContact OG-CA 3.32Å; S1683-Q1700 WeakPolarHBondContact OG-CA 3.49Å; S1683-Q1700 WeakPolarHBondContact OG-CB 3.48Å; S1683-Q1700 PolarHBondContact OG-N 3.34Å; S1683-Q1700 PolarHBondContact OG-O 2.98Å
1684	E	77.5	Confident	66.3	Low	164 Å²	164	81.9 Å²	81.9	77%	0.766	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-58.1	151.9	168.6	-73.4	-51.7	132.5	0	0	112.1	R1699	E1684-R1699 WeakPolarHBondContact O-CB 3.46Å
1685	W	74.1	Confident	67.4	Low	57 Å²	57	74.7 Å²	74.7	22%	0.216	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-66.7	140.5	170.1	-66.5	103.7	0	0	0	110.2	R1697 R1699 I1760	W1685-R1697 HydrophobicContact CB-CB 4.39Å; W1685-R1697 HydrophobicContact CB-CG 4.23Å; W1685-R1697 HydrophobicContact CD2-CG 4.14Å; W1685-R1697 HydrophobicContact CE3-CB 4.44Å; W1685-R1697 HydrophobicContact CE3-CG 3.91Å; W1685-R1697 HydrophobicContact CG-CG 4.3Å; W1685-R1699 HydrophobicContact CD2-CB 4.28Å; W1685-R1699 HydrophobicContact CD2-CG 4.29Å; W1685-R1699 HydrophobicContact CE3-CB 3.87Å; W1685-R1699 HydrophobicContact CE3-CG 3.85Å; W1685-R1699 HydrophobicContact CH2-CG 4Å; W1685-R1699 HydrophobicContact CZ2-CG 4.44Å; W1685-R1699 HydrophobicContact CZ3-CB 4.2Å; W1685-R1699 HydrophobicContact CZ3-CG 3.7Å; W1685-I1760 HydrophobicContact CH2-CG1 4.41Å; W1685-I1760 HydrophobicContact CH2-CG2 3.75Å; W1685-I1760 HydrophobicContact CZ2-CG2 4.16Å; W1685-I1760 HydrophobicContact CZ3-CG2 4.37Å
1686	S	77.6	Confident	68	Low	48 Å²	48	74.1 Å²	74.1	34%	0.336	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-53.6	160.3	167.4	74.2	0	0	0	0	110.6	C1688 R1697 S1698	S1686-C1688 PolarHBondContact O-N 3.09Å; S1686-R1697 WeakPolarHBondContact OG-CA 2.99Å; S1686-S1698 VanDerWaalsContact CB-O 3.28Å; S1686-S1698 WeakPolarHBondContact CB-O 3.01Å; S1686-S1698 PolarHBondContact N-O 2.93Å; S1686-S1698 PolarHBondContact OG-N 2.79Å; S1686-S1698 PolarHBondContact OG-O 2.8Å
1687	K	77.2	Confident	69.3	Low	189 Å²	189	74 Å²	74	82%	0.822	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-49.7	144.5	156.5	-65.6	-178.2	179.4	179.5	0	108.6
1688	C	79.8	Confident	70.6	Confident	20 Å²	20	74.4 Å²	74.4	14%	0.135	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-57.7	144.4	173.1	-162.8	0	0	0	0	108.9	S1686 V1690 C1762 T1764	S1686-C1688 PolarHBondContact O-N 3.09Å; C1688-V1690 PolarHBondContact O-N 3.23Å; C1688-C1762 WeakPolarHBondContact CA-SG 3.37Å; C1688-C1762 HydrophobicContact CB-CB 4.01Å; C1688-C1762 WeakPolarHBondContact CB-SG 3.43Å; C1688-C1762 WeakPolarHBondContact SG-CB 3.37Å; C1688-C1762 PolarHBondContact SG-O 3.04Å; C1688-C1762 VanDerWaalsContact SG-O 3.37Å; C1688-C1762 CovalentContact SG-SG 2.04Å; C1688-C1762 PolarHBondContact SG-SG 2.79Å; C1688-T1764 HydrophobicContact CB-CG2 3.6Å
1689	S	72.9	Confident	71.4	Confident	81 Å²	81	75.8 Å²	75.8	57%	0.566	38%	0.377	S	S	*	.	S	Bend	trans	-62.8	-7.3	-175.6	68.9	0	0	0	0	114.4	G1695 I1696	S1689-G1695 VanDerWaalsContact OG-CA 3.23Å; S1689-G1695 WeakPolarHBondContact OG-CA 3.37Å; S1689-I1696 WeakPolarHBondContact CB-O 3.4Å; S1689-I1696 PolarHBondContact N-O 3.46Å; S1689-I1696 PolarHBondContact OG-N 2.83Å
1690	V	60.9	Low	71.9	Confident	50 Å²	50	78.1 Å²	78.1	30%	0.303	39%	0.392	S	S	.	.	S	Bend	trans	-131	143.3	168	-58.7	0	0	0	0	109.6	C1688 C1692 M1694	C1688-V1690 PolarHBondContact O-N 3.23Å; V1690-C1692 VanDerWaalsContact CB-O 3.25Å; V1690-C1692 WeakPolarHBondContact CB-O 3.25Å; V1690-C1692 WeakPolarHBondContact CG2-O 3.29Å; V1690-C1692 PolarHBondContact O-N 3.14Å; V1690-M1694 VanDerWaalsContact CG2-O 3.23Å; V1690-M1694 WeakPolarHBondContact CG2-O 3.33Å
1691	N	63.1	Low	72	Confident	154 Å²	154	76.8 Å²	76.8	82%	0.824	39%	0.39	S	S	*	.	S	Bend	trans	-70.3	-24.4	178	-59	-25.5	0	0	0	112.2
1692	C	61.5	Low	72	Confident	36 Å²	36	74.2 Å²	74.2	24%	0.243	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-153.8	153.1	-176.9	60	0	0	0	0	108.3	V1690 T1764 R1765 C1767	V1690-C1692 VanDerWaalsContact CB-O 3.25Å; V1690-C1692 WeakPolarHBondContact CB-O 3.25Å; V1690-C1692 WeakPolarHBondContact CG2-O 3.29Å; V1690-C1692 PolarHBondContact O-N 3.14Å; C1692-T1764 WeakPolarHBondContact CA-OG1 3.26Å; C1692-T1764 PolarHBondContact N-OG1 2.73Å; C1692-R1765 CarbonylContact C-O 3.5Å; C1692-R1765 WeakPolarHBondContact CA-O 3.15Å; C1692-R1765 VanDerWaalsContact CB-O 3.29Å; C1692-R1765 WeakPolarHBondContact CB-O 3.48Å; C1692-C1767 VanDerWaalsContact C-SG 3.54Å; C1692-C1767 HydrophobicContact CB-CB 3.73Å; C1692-C1767 WeakPolarHBondContact CB-SG 3.23Å; C1692-C1767 WeakPolarHBondContact SG-CA 3.29Å; C1692-C1767 WeakPolarHBondContact SG-CB 3.48Å; C1692-C1767 CovalentContact SG-SG 2.03Å; C1692-C1767 PolarHBondContact SG-SG 3.06Å
1693	G	61.1	Low	72.1	Confident	9 Å²	9	67.7 Å²	67.7	9%	0.093	36%	0.357	C	S	.	.	S	Bend	trans	90.7	-151	-169.1	0	0	0	0	0	113.5	T1764 R1765	G1693-T1764 PolarHBondContact N-OG1 3.41Å; G1693-T1764 PolarHBondContact O-N 3.1Å; G1693-T1764 PolarHBondContact O-OG1 2.65Å; G1693-T1764 VanDerWaalsContact O-OG1 3.11Å; G1693-R1765 PolarHBondContact N-O 2.98Å
1694	M	58.8	Low	71.9	Confident	76 Å²	76	69.9 Å²	69.9	37%	0.374	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	141.8	173.6	-67.7	-167.8	-57.5	0	0	111.3	V1690 R1794 P1817	V1690-M1694 VanDerWaalsContact CG2-O 3.23Å; V1690-M1694 WeakPolarHBondContact CG2-O 3.33Å; M1694-R1794 PolarHBondContact SD-NH1 3.21Å; M1694-P1817 HydrophobicContact CE-CB 3.64Å; M1694-P1817 HydrophobicContact CE-CG 4.06Å
1695	G	69.4	Low	70.9	Confident	12 Å²	12	62.1 Å²	62.1	12%	0.124	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	-164.5	176.8	0	0	0	0	0	113	S1689 C1762	S1689-G1695 VanDerWaalsContact OG-CA 3.23Å; S1689-G1695 WeakPolarHBondContact OG-CA 3.37Å; G1695-C1762 VanDerWaalsContact C-SG 3.53Å; G1695-C1762 PolarHBondContact N-O 3.05Å; G1695-C1762 PolarHBondContact O-N 2.01Å; G1695-C1762 PolarHBondContact O-SG 3.34Å
1696	I	66.9	Low	70.1	Confident	99 Å²	99	62.7 Å²	62.7	51%	0.508	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.3	-179.9	-58.7	172.5	0	0	0	108.2	S1689 I1760	S1689-I1696 WeakPolarHBondContact CB-O 3.4Å; S1689-I1696 PolarHBondContact N-O 3.46Å; S1689-I1696 PolarHBondContact OG-N 2.83Å; I1696-I1760 WeakPolarHBondContact CA-O 3.49Å
1697	R	80.8	Confident	69.1	Low	88 Å²	88	65.1 Å²	65.1	33%	0.332	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.9	167.6	62.9	-176	-171.9	162.8	-2.5	110.3	W1685 S1686 K1759 I1760 C1762	W1685-R1697 HydrophobicContact CB-CB 4.39Å; W1685-R1697 HydrophobicContact CB-CG 4.23Å; W1685-R1697 HydrophobicContact CD2-CG 4.14Å; W1685-R1697 HydrophobicContact CE3-CB 4.44Å; W1685-R1697 HydrophobicContact CE3-CG 3.91Å; W1685-R1697 HydrophobicContact CG-CG 4.3Å; S1686-R1697 WeakPolarHBondContact OG-CA 2.99Å; R1697-K1759 WeakPolarHBondContact O-CA 2.97Å; R1697-I1760 HydrophobicContact CG-CG1 3.74Å; R1697-I1760 PolarHBondContact N-O 3.11Å; R1697-I1760 PolarHBondContact O-N 3.19Å; R1697-C1762 HydrophobicContact CG-CB 4.25Å; R1697-C1762 PolarHBondContact N-SG 2.84Å
1698	S	77.1	Confident	68.3	Low	59 Å²	59	57.9 Å²	57.9	41%	0.413	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	155.2	-178.1	57.6	0	0	0	0	111.2	S1686 D1758	S1686-S1698 VanDerWaalsContact CB-O 3.28Å; S1686-S1698 WeakPolarHBondContact CB-O 3.01Å; S1686-S1698 PolarHBondContact N-O 2.93Å; S1686-S1698 PolarHBondContact OG-N 2.79Å; S1686-S1698 PolarHBondContact OG-O 2.8Å; S1698-D1758 CarbonylContact C-O 3.55Å; S1698-D1758 WeakPolarHBondContact CA-O 3.41Å; S1698-D1758 WeakPolarHBondContact CB-O 3.25Å
1699	R	80.1	Confident	67.4	Low	51 Å²	51	60 Å²	60	19%	0.192	34%	0.339	C	S	.	.			trans	-136.2	146.9	175.6	65.3	-178.7	173.8	-171.3	-6.3	111	E1684 W1685 V1701 I1757 D1758	E1684-R1699 WeakPolarHBondContact O-CB 3.46Å; W1685-R1699 HydrophobicContact CD2-CB 4.28Å; W1685-R1699 HydrophobicContact CD2-CG 4.29Å; W1685-R1699 HydrophobicContact CE3-CB 3.87Å; W1685-R1699 HydrophobicContact CE3-CG 3.85Å; W1685-R1699 HydrophobicContact CH2-CG 4Å; W1685-R1699 HydrophobicContact CZ2-CG 4.44Å; W1685-R1699 HydrophobicContact CZ3-CB 4.2Å; W1685-R1699 HydrophobicContact CZ3-CG 3.7Å; R1699-V1701 HydrophobicContact CG-CG2 4.08Å; R1699-I1757 VanDerWaalsContact CZ-O 3.22Å; R1699-I1757 PolarHBondContact NE-O 3.46Å; R1699-I1757 PolarHBondContact NH2-O 3.14Å; R1699-D1758 PolarHBondContact N-O 3.22Å
1700	Q	73.6	Confident	67.1	Low	153 Å²	153	60 Å²	60	72%	0.715	34%	0.336	S	S	*	.			trans	-68.8	138.7	165	-59.8	-179.5	-12	0	0	109.5	S1683	S1683-Q1700 WeakPolarHBondContact CB-O 3.4Å; S1683-Q1700 PolarHBondContact N-O 2.86Å; S1683-Q1700 VanDerWaalsContact OG-CA 3.32Å; S1683-Q1700 WeakPolarHBondContact OG-CA 3.49Å; S1683-Q1700 WeakPolarHBondContact OG-CB 3.48Å; S1683-Q1700 PolarHBondContact OG-N 3.34Å; S1683-Q1700 PolarHBondContact OG-O 2.98Å
1701	V	74.6	Confident	67.1	Low	29 Å²	29	59.4 Å²	59.4	18%	0.176	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.7	175.3	177.5	0	0	0	0	106.5	W1680 R1699 R1755 P1756 D1758	W1680-V1701 HydrophobicContact CE3-CG1 3.82Å; W1680-V1701 HydrophobicContact CZ3-CG1 4.15Å; R1699-V1701 HydrophobicContact CG-CG2 4.08Å; V1701-R1755 HydrophobicContact CG1-CG 4.27Å; V1701-P1756 HydrophobicContact CG1-CB 4.07Å; V1701-P1756 HydrophobicContact CG1-CG 4.06Å; V1701-P1756 HydrophobicContact CG2-CB 4.24Å; V1701-D1758 HydrophobicContact CG2-CB 4.22Å
1702	A	73.9	Confident	66.6	Low	24 Å²	24	58.8 Å²	58.8	20%	0.198	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.2	-172.3	0	0	0	0	0	110.5	Y1681 V1710	Y1681-A1702 WeakPolarHBondContact CA-O 3.42Å; Y1681-A1702 WeakPolarHBondContact CB-O 3.5Å; Y1681-A1702 PolarHBondContact N-O 2.84Å; Y1681-A1702 PolarHBondContact O-N 3.48Å; A1702-V1710 HydrophobicContact CB-CG1 4.26Å
1703	C	77.2	Confident	66.3	Low	3 Å²	3	61.5 Å²	61.5	2%	0.02	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	124.8	169.6	-176.1	0	0	0	0	109	W1680 V1710 I1711 V1713 C1751	W1680-C1703 HydrophobicContact CZ3-CB 4.45Å; C1703-V1710 CarbonylContact O-C 3.58Å; C1703-V1710 WeakPolarHBondContact O-CA 3.24Å; C1703-I1711 HydrophobicContact CB-CB 4.23Å; C1703-I1711 HydrophobicContact CB-CD1 4.44Å; C1703-I1711 PolarHBondContact O-N 2.88Å; C1703-I1711 VanDerWaalsContact SG-CD1 3.54Å; C1703-V1713 HydrophobicContact CB-CG2 4.3Å; C1703-C1751 WeakPolarHBondContact CA-SG 2.94Å; C1703-C1751 HydrophobicContact CB-CB 3.93Å; C1703-C1751 WeakPolarHBondContact CB-SG 3.49Å; C1703-C1751 WeakPolarHBondContact SG-CB 3.39Å; C1703-C1751 CovalentContact SG-SG 2.03Å; C1703-C1751 PolarHBondContact SG-SG 3.33Å
1704	R	71.4	Confident	65.3	Low	65 Å²	65	69.4 Å²	69.4	25%	0.245	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.1	179.2	-70.7	-168.6	-174.1	177.6	-0.6	111.1	P1678 Y1679 Y1681 V1710	P1678-R1704 CarbonylContact C-O 3.48Å; P1678-R1704 WeakPolarHBondContact CA-O 3.37Å; Y1679-R1704 WeakPolarHBondContact CD1-O 3.32Å; Y1679-R1704 HydrophobicContact CE1-CB 4.29Å; Y1679-R1704 HydrophobicContact CE2-CB 4.33Å; Y1679-R1704 PolarHBondContact N-O 2.94Å; Y1679-R1704 PolarHBondContact O-N 2.79Å; Y1681-R1704 VanDerWaalsContact CE1-CZ 3.43Å; Y1681-R1704 VanDerWaalsContact CE1-NH2 3.27Å; Y1681-R1704 VanDerWaalsContact CE2-NH1 3.33Å; Y1681-R1704 HydrophobicContact CG-CG 4.34Å; R1704-V1710 HydrophobicContact CG-CG2 4.12Å
1705	S	57.6	Low	64	Low	1 Å²	1	70.7 Å²	70.7	1%	0.007	39%	0.389	C	S	.	.			trans	-81.1	169	167	56.6	0	0	0	0	112.1	Y1679 N1707 G1708 T1709 R1749	Y1679-S1705 WeakPolarHBondContact CE1-O 3.12Å; S1705-N1707 WeakPolarHBondContact CB-OD1 3.24Å; S1705-N1707 PolarHBondContact O-N 2.85Å; S1705-N1707 PolarHBondContact OG-OD1 3.44Å; S1705-G1708 PolarHBondContact O-N 2.84Å; S1705-T1709 PolarHBondContact N-O 3.37Å; S1705-T1709 VanDerWaalsContact N-O 3.16Å; S1705-T1709 PolarHBondContact OG-N 2.92Å; S1705-T1709 PolarHBondContact OG-O 2.95Å; S1705-T1709 PolarHBondContact OG-OG1 3.45Å; S1705-R1749 PolarHBondContact OG-NH1 3.46Å; S1705-R1749 VanDerWaalsContact OG-NH1 3.16Å
1706	S	56.9	Low	62.1	Low	69 Å²	69	77.8 Å²	77.8	48%	0.483	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-39.3	168.3	58.1	0	0	0	0	113.2	S1676 G1708	S1676-S1706 WeakPolarHBondContact CB-OG 3.36Å; S1706-G1708 PolarHBondContact O-N 3.44Å
1707	N	57.6	Low	60.2	Low	100 Å²	100	79.4 Å²	79.4	54%	0.535	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	23	176.3	77.9	-53.9	0	0	0	114.2	S1705 T1709 R1749	S1705-N1707 WeakPolarHBondContact CB-OD1 3.24Å; S1705-N1707 PolarHBondContact O-N 2.85Å; S1705-N1707 PolarHBondContact OG-OD1 3.44Å; N1707-T1709 PolarHBondContact O-N 2.91Å; N1707-T1709 PolarHBondContact OD1-OG1 3.3Å; N1707-R1749 PolarHBondContact OD1-NH2 2.66Å
1708	G	58.7	Low	57.7	Low	37 Å²	37	81.1 Å²	81.1	38%	0.381	45%	0.448	S	S	.	.			trans	74.8	-17.9	169	0	0	0	0	0	116.8	S1705 S1706 V1710	S1705-G1708 PolarHBondContact O-N 2.84Å; S1706-G1708 PolarHBondContact O-N 3.44Å; G1708-V1710 PolarHBondContact O-N 3.06Å
1709	T	61.8	Low	55.3	Low	64 Å²	64	85.1 Å²	85.1	39%	0.393	47%	0.465	S	S	.	.			trans	-60.8	129.3	-179.6	49.6	0	0	0	0	111.9	S1705 N1707 R1749	S1705-T1709 PolarHBondContact N-O 3.37Å; S1705-T1709 VanDerWaalsContact N-O 3.16Å; S1705-T1709 PolarHBondContact OG-N 2.92Å; S1705-T1709 PolarHBondContact OG-O 2.95Å; S1705-T1709 PolarHBondContact OG-OG1 3.45Å; N1707-T1709 PolarHBondContact O-N 2.91Å; N1707-T1709 PolarHBondContact OD1-OG1 3.3Å; T1709-R1749 PolarHBondContact OG1-NH1 3.04Å
1710	V	65.8	Low	52.9	Low	82 Å²	82	90 Å²	90	50%	0.497	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	137	177	176.3	0	0	0	0	109.9	A1702 C1703 R1704 G1708	A1702-V1710 HydrophobicContact CB-CG1 4.26Å; C1703-V1710 CarbonylContact O-C 3.58Å; C1703-V1710 WeakPolarHBondContact O-CA 3.24Å; R1704-V1710 HydrophobicContact CG-CG2 4.12Å; G1708-V1710 PolarHBondContact O-N 3.06Å
1711	I	61.9	Low	50.8	Low	37 Å²	37	86.2 Å²	86.2	19%	0.19	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.4	176.4	-55.3	125.7	0	0	0	108.3	P1678 C1703 V1713 R1749	P1678-I1711 HydrophobicContact CB-CD1 4.04Å; C1703-I1711 HydrophobicContact CB-CB 4.23Å; C1703-I1711 HydrophobicContact CB-CD1 4.44Å; C1703-I1711 PolarHBondContact O-N 2.88Å; C1703-I1711 VanDerWaalsContact SG-CD1 3.54Å; I1711-V1713 PolarHBondContact O-N 3.2Å; I1711-R1749 HydrophobicContact CD1-CB 3.69Å; I1711-R1749 HydrophobicContact CD1-CG 4.5Å; I1711-R1749 HydrophobicContact CG1-CB 3.91Å; I1711-R1749 HydrophobicContact CG2-CB 4.46Å
1712	N	52.9	Low	48.8	Very low	141 Å²	141	89.4 Å²	89.4	75%	0.754	49%	0.489	S	S	*	.			trans	-69.2	128.9	175.7	-89.7	-8.4	0	0	0	110.4
1713	V	54.6	Low	46.5	Very low	92 Å²	92	94.5 Å²	94.5	56%	0.558	50%	0.504	S	S	*	.			trans	-109.2	92.3	174.1	-177.1	0	0	0	0	107.2	C1703 I1711 T1715	C1703-V1713 HydrophobicContact CB-CG2 4.3Å; I1711-V1713 PolarHBondContact O-N 3.2Å; V1713-T1715 PolarHBondContact O-N 2.83Å
1714	E	39.1	Very low	44.5	Very low	175 Å²	175	100.3 Å²	100.3	82%	0.818	53%	0.531	S	S	*	.			trans	-71.5	126.1	174.6	-66.9	-171.1	155.1	0	0	109.7	I1716	E1714-I1716 PolarHBondContact O-N 3.45Å
1715	T	31.7	Very low	42.7	Very low	103 Å²	103	103.4 Å²	103.4	63%	0.632	55%	0.552	S	S	*	*			trans	-87.7	95.3	-173.1	50.6	0	0	0	0	111.2	V1713	V1713-T1715 PolarHBondContact O-N 2.83Å
1716	I	30.9	Very low	41.4	Very low	161 Å²	161	106.6 Å²	106.6	83%	0.826	57%	0.568	S	S	*	*			trans	-111	125.2	156	-57.7	-179.7	0	0	0	105.7	E1714 D1718	E1714-I1716 PolarHBondContact O-N 3.45Å; I1716-D1718 PolarHBondContact O-N 3.43Å
1717	N	26.4	Very low	40	Very low	134 Å²	134	106 Å²	106	72%	0.717	56%	0.558	S	S	*	*			trans	-74.5	120.9	-150.2	-62	-34.2	0	0	0	114	N1719	N1717-N1719 PolarHBondContact O-N 2.75Å
1718	D	27.9	Very low	38.9	Very low	124 Å²	124	103.9 Å²	103.9	66%	0.663	55%	0.551	S	S	*	*	S	Bend	trans	48.2	9.3	161.8	-77.2	24.6	0	0	0	119.6	R250 I1716	R250-D1718 IonicContact CZ-OD2 2.98Å; R250-D1718 IonicContact NH1-OD2 3.45Å; R250-D1718 PolarHBondContact NH1-OD2 3.12Å; R250-D1718 IonicContact NH2-OD2 2.6Å; R250-D1718 PolarHBondContact NH2-OD2 2.74Å; I1716-D1718 PolarHBondContact O-N 3.43Å
1719	N	26.3	Very low	37.7	Very low	143 Å²	143	105 Å²	105	77%	0.765	55%	0.553	S	S	*	*			trans	-101.1	131.7	171.2	-84.8	-22.1	0	0	0	111.8	N1717	N1717-N1719 PolarHBondContact O-N 2.75Å
1720	Q	30.6	Very low	36.2	Very low	154 Å²	154	109 Å²	109	72%	0.72	57%	0.567	S	S	*	*			trans	62.8	123.8	175.7	-50.1	179.7	-4	0	0	116.8
1721	T	28.9	Very low	34.5	Very low	72 Å²	72	110.7 Å²	110.7	44%	0.442	58%	0.577	S	S	.	*				163.9	135.7	103.6	39	0	0	0	0	114.3	K1750	T1721-K1750 WeakPolarHBondContact O-CE 3.32Å; T1721-K1750 PolarHBondContact O-NZ 2.71Å; T1721-K1750 VanDerWaalsContact OG1-CE 3.27Å; T1721-K1750 WeakPolarHBondContact OG1-CE 3.46Å; T1721-K1750 PolarHBondContact OG1-NZ 3.25Å
1722	F	32	Very low	33.2	Very low	97 Å²	97	115.3 Å²	115.3	43%	0.425	60%	0.602	S	S	.	*			trans	56.1	108.3	136.1	-70.4	-137.1	0	0	0	119.6	H1724 K1748 K1750	F1722-H1724 HydrophobicContact CD1-CB 4.43Å; F1722-H1724 AromaticContact CD1-CD2 3.61Å; F1722-H1724 AromaticContact CE1-CD2 3.39Å; F1722-H1724 WeakPolarHBondContact CE1-CD2 3.47Å; F1722-H1724 AromaticContact CE1-NE2 3.81Å; F1722-K1748 HydrophobicContact CD1-CD 3.78Å; F1722-K1748 HydrophobicContact CE1-CD 3.8Å; F1722-K1748 VanDerWaalsContact CE1-NZ 3.29Å; F1722-K1748 VanDerWaalsContact CZ-NZ 3.29Å; F1722-K1750 WeakPolarHBondContact O-CD 3.36Å; F1722-K1750 WeakPolarHBondContact O-CE 3.3Å
1723	Y	26.6	Very low	32.5	Very low	131 Å²	131	112.7 Å²	112.7	51%	0.514	60%	0.595	S	S	.	*				-109.5	155.3	114.8	-105.7	-101.3	0	0	0	108.9	E1595 L1752	E1595-Y1723 HydrophobicContact CG-CE1 4.48Å; Y1723-L1752 HydrophobicContact CE2-CD2 3.89Å; Y1723-L1752 WeakPolarHBondContact OH-CD2 3.16Å
1724	H	33.8	Very low	31.8	Very low	125 Å²	125	110.1 Å²	110.1	58%	0.579	58%	0.578	S	S	*	*			trans	-153.7	132.7	-163.1	-141.3	-1.6	0	0	0	112.4	F1722	F1722-H1724 HydrophobicContact CD1-CB 4.43Å; F1722-H1724 AromaticContact CD1-CD2 3.61Å; F1722-H1724 AromaticContact CE1-CD2 3.39Å; F1722-H1724 WeakPolarHBondContact CE1-CD2 3.47Å; F1722-H1724 AromaticContact CE1-NE2 3.81Å
1725	N	34.3	Very low	31.8	Very low	129 Å²	129	109.8 Å²	109.8	69%	0.69	58%	0.576	S	S	*	*			trans	35.2	117.5	152.3	-57.6	14.2	0	0	0	120.1
1726	I	31.5	Very low	31.9	Very low	68 Å²	68	113.4 Å²	113.4	35%	0.349	58%	0.579	S	S	.	*			trans	-152.3	92.5	132.8	-104.1	152.9	0	0	0	106.8	E1591 I1745	E1591-I1726 HydrophobicContact CB-CG2 3.77Å; E1591-I1726 WeakPolarHBondContact OE2-CA 3.35Å; I1726-I1745 HydrophobicContact CD1-CD1 4.12Å
1727	E	26.1	Very low	32.3	Very low	57 Å²	57	108.2 Å²	108.2	27%	0.266	56%	0.555	S	S	.	*			trans	-152.9	57.4	160.8	-70.3	-155.2	140.8	0	0	110.9	Q1590 E1591 I1593	Q1590-E1727 HydrophobicContact CB-CB 4.19Å; Q1590-E1727 HydrophobicContact CB-CG 4Å; Q1590-E1727 WeakPolarHBondContact CB-OE1 3.29Å; Q1590-E1727 WeakPolarHBondContact CB-OE2 3.46Å; Q1590-E1727 PolarHBondContact NE2-OE2 3.28Å; E1591-E1727 HydrophobicContact CB-CB 4.47Å; E1591-E1727 HydrophobicContact CB-CG 4.23Å; E1591-E1727 VanDerWaalsContact OE2-CA 3.27Å; E1591-E1727 WeakPolarHBondContact OE2-CA 3.42Å; E1591-E1727 PolarHBondContact OE2-N 2.87Å; I1593-E1727 VanDerWaalsContact CD1-CD 3.43Å; I1593-E1727 HydrophobicContact CD1-CG 3.88Å; I1593-E1727 VanDerWaalsContact CG1-CD 3.49Å; I1593-E1727 HydrophobicContact CG1-CG 3.53Å
1728	S	34.5	Very low	33.1	Very low	56 Å²	56	105 Å²	105	39%	0.392	54%	0.537	S	S	.	.			trans	-133.1	106.2	179.8	60.6	0	0	0	0	115.2	E1591	E1591-S1728 VanDerWaalsContact CD-N 3.29Å; E1591-S1728 PolarHBondContact OE2-N 3.23Å
1729	S	33.1	Very low	33.6	Very low	61 Å²	61	105.4 Å²	105.4	43%	0.427	54%	0.535	S	S	.	.			trans	64.4	117.6	151.3	69.2	0	0	0	0	120.7	L1734	S1729-L1734 WeakPolarHBondContact O-CD1 3.38Å
1730	H	31	Very low	34.3	Very low	147 Å²	147	102.2 Å²	102.2	68%	0.681	52%	0.521	S	S	*	.				-108.7	139.2	115.3	-80	-130.4	0	0	0	105.5	L1734	H1730-L1734 HydrophobicContact CB-CD1 4.34Å
1731	V	30.3	Very low	34.8	Very low	117 Å²	117	97.7 Å²	97.7	71%	0.709	50%	0.501	S	S	*	.	S	Bend	cis	-141.5	134.4	50	177.8	0	0	0	0	112.6	S1733	V1731-S1733 PolarHBondContact O-N 2.85Å
1732	N	34	Very low	35.2	Very low	135 Å²	135	101.2 Å²	101.2	72%	0.722	51%	0.51	S	S	*	.	S	Bend	trans	66.7	21	153.3	-60	-3.8	0	0	0	124
1733	S	39.1	Very low	35.4	Very low	86 Å²	86	104.6 Å²	104.6	60%	0.601	53%	0.525	S	S	*	.	S	Bend	trans	-95.4	20.3	142.8	64.4	0	0	0	0	111.9	V1731 Q1735 T1737	V1731-S1733 PolarHBondContact O-N 2.85Å; S1733-Q1735 PolarHBondContact O-N 3.16Å; S1733-T1737 PolarHBondContact O-OG1 3.14Å
1734	L	39.1	Very low	35.9	Very low	37 Å²	37	101.4 Å²	101.4	19%	0.194	52%	0.522	C	S	.	.	H	α-helix	trans	-73.9	-36.8	-139	-158.6	63	0	0	0	114.2	S1729 H1730 I1738	S1729-L1734 WeakPolarHBondContact O-CD1 3.38Å; H1730-L1734 HydrophobicContact CB-CD1 4.34Å; L1734-I1738 HydrophobicContact CG-CD1 4.02Å; L1734-I1738 WeakPolarHBondContact O-CB 3.21Å; L1734-I1738 WeakPolarHBondContact O-CD1 3.41Å; L1734-I1738 VanDerWaalsContact O-CG1 3.22Å; L1734-I1738 WeakPolarHBondContact O-CG1 3.35Å; L1734-I1738 PolarHBondContact O-N 3.46Å; L1734-I1738 VanDerWaalsContact O-N 3.17Å
1735	Q	40.5	Very low	36.1	Very low	168 Å²	168	99.2 Å²	99.2	79%	0.785	51%	0.514	S	S	*	.	H	α-helix	trans	-79.9	-29.4	-161.8	-147	161.5	-6.1	0	0	113.1	S1733 Q1739	S1733-Q1735 PolarHBondContact O-N 3.16Å; Q1735-Q1739 PolarHBondContact O-N 2.03Å
1736	Y	33	Very low	36	Very low	179 Å²	179	96.1 Å²	96.1	70%	0.702	50%	0.5	S	S	*	.	H	α-helix	trans	-81.2	-41.7	178.7	-170.7	-100.9	0	0	0	112	I1738 Q1739 T1740	Y1736-I1738 VanDerWaalsContact C-N 3.31Å; Y1736-I1738 PolarHBondContact O-N 3.42Å; Y1736-Q1739 PolarHBondContact O-N 2.9Å; Y1736-T1740 PolarHBondContact O-N 3.45Å; Y1736-T1740 PolarHBondContact O-OG1 3.39Å; Y1736-T1740 VanDerWaalsContact O-OG1 3.13Å
1737	T	38.2	Very low	36.2	Very low	52 Å²	52	98 Å²	98	32%	0.319	51%	0.514	S	S	.	.	H	α-helix	trans	-58.7	-44.5	172.5	-45.7	0	0	0	0	110.4	S1733 Q1739 T1740 I1741	S1733-T1737 PolarHBondContact O-OG1 3.14Å; T1737-Q1739 VanDerWaalsContact C-N 3.35Å; T1737-Q1739 PolarHBondContact O-N 3.13Å; T1737-T1740 PolarHBondContact O-N 2.94Å; T1737-I1741 HydrophobicContact CG2-CD1 3.8Å; T1737-I1741 HydrophobicContact CG2-CG1 4.33Å; T1737-I1741 WeakPolarHBondContact O-CB 3.38Å; T1737-I1741 WeakPolarHBondContact O-CG1 3.03Å; T1737-I1741 PolarHBondContact O-N 3.46Å
1738	I	44.2	Very low	36.9	Very low	66 Å²	66	101.8 Å²	101.8	34%	0.338	53%	0.53	S	S	.	.	H	α-helix	trans	-58.2	-39.9	174.8	-76.7	171.1	0	0	0	112.8	L1734 Y1736 K1742	L1734-I1738 HydrophobicContact CG-CD1 4.02Å; L1734-I1738 WeakPolarHBondContact O-CB 3.21Å; L1734-I1738 WeakPolarHBondContact O-CD1 3.41Å; L1734-I1738 VanDerWaalsContact O-CG1 3.22Å; L1734-I1738 WeakPolarHBondContact O-CG1 3.35Å; L1734-I1738 PolarHBondContact O-N 3.46Å; L1734-I1738 VanDerWaalsContact O-N 3.17Å; Y1736-I1738 VanDerWaalsContact C-N 3.31Å; Y1736-I1738 PolarHBondContact O-N 3.42Å; I1738-K1742 HydrophobicContact CG2-CD 4.01Å; I1738-K1742 VanDerWaalsContact O-CB 3.31Å; I1738-K1742 WeakPolarHBondContact O-CB 3.39Å; I1738-K1742 WeakPolarHBondContact O-CD 3.21Å; I1738-K1742 WeakPolarHBondContact O-CG 3.45Å; I1738-K1742 PolarHBondContact O-N 3.34Å
1739	Q	38.7	Very low	37.5	Very low	133 Å²	133	102.3 Å²	102.3	62%	0.621	52%	0.523	S	S	*	.	H	α-helix	trans	-71.1	-36.6	176.7	-75	-169.5	-5.3	0	0	112.9	Q1735 Y1736 T1737 K1742 K1743	Q1735-Q1739 PolarHBondContact O-N 2.03Å; Y1736-Q1739 PolarHBondContact O-N 2.9Å; T1737-Q1739 VanDerWaalsContact C-N 3.35Å; T1737-Q1739 PolarHBondContact O-N 3.13Å; Q1739-K1742 PolarHBondContact O-N 3.39Å; Q1739-K1743 PolarHBondContact O-N 3.29Å
1740	T	39.8	Very low	38.2	Very low	77 Å²	77	103.3 Å²	103.3	47%	0.472	52%	0.52	S	S	.	.	H	α-helix	trans	-72.8	-41.9	180	-54.4	0	0	0	0	111.4	Y1736 T1737 K1742 K1743 S1744	Y1736-T1740 PolarHBondContact O-N 3.45Å; Y1736-T1740 PolarHBondContact O-OG1 3.39Å; Y1736-T1740 VanDerWaalsContact O-OG1 3.13Å; T1737-T1740 PolarHBondContact O-N 2.94Å; T1740-K1742 VanDerWaalsContact C-N 3.33Å; T1740-K1742 PolarHBondContact O-N 2.88Å; T1740-K1743 PolarHBondContact O-N 3.03Å; T1740-S1744 PolarHBondContact O-N 2.66Å; T1740-S1744 VanDerWaalsContact O-N 3.12Å; T1740-S1744 PolarHBondContact O-OG 2.87Å
1741	I	42.7	Very low	39.3	Very low	59 Å²	59	97.2 Å²	97.2	30%	0.303	49%	0.494	S	S	.	.	H	α-helix	trans	-60.2	-41.7	171.2	-70.7	178.4	0	0	0	110.8	T1737 K1743 S1744 I1745	T1737-I1741 HydrophobicContact CG2-CD1 3.8Å; T1737-I1741 HydrophobicContact CG2-CG1 4.33Å; T1737-I1741 WeakPolarHBondContact O-CB 3.38Å; T1737-I1741 WeakPolarHBondContact O-CG1 3.03Å; T1737-I1741 PolarHBondContact O-N 3.46Å; I1741-K1743 PolarHBondContact O-N 3.25Å; I1741-K1743 VanDerWaalsContact O-N 3.17Å; I1741-S1744 PolarHBondContact O-N 3.2Å; I1741-S1744 PolarHBondContact O-OG 2.83Å; I1741-I1745 HydrophobicContact CG2-CD1 3.43Å; I1741-I1745 VanDerWaalsContact CG2-CD1 3.43Å; I1741-I1745 HydrophobicContact CG2-CG1 3.94Å; I1741-I1745 WeakPolarHBondContact O-CB 3.48Å; I1741-I1745 PolarHBondContact O-N 2.97Å
1742	K	37.1	Very low	40.3	Very low	145 Å²	145	94.9 Å²	94.9	63%	0.63	48%	0.477	S	S	*	.	H	α-helix	trans	-60.7	-21.5	173.9	-80.1	169.8	179.6	175.4	0	114.3	I1738 Q1739 T1740 T1746	I1738-K1742 HydrophobicContact CG2-CD 4.01Å; I1738-K1742 VanDerWaalsContact O-CB 3.31Å; I1738-K1742 WeakPolarHBondContact O-CB 3.39Å; I1738-K1742 WeakPolarHBondContact O-CD 3.21Å; I1738-K1742 WeakPolarHBondContact O-CG 3.45Å; I1738-K1742 PolarHBondContact O-N 3.34Å; Q1739-K1742 PolarHBondContact O-N 3.39Å; T1740-K1742 VanDerWaalsContact C-N 3.33Å; T1740-K1742 PolarHBondContact O-N 2.88Å; K1742-T1746 PolarHBondContact O-OG1 2.9Å
1743	K	35.7	Very low	41.1	Very low	168 Å²	168	91 Å²	91	73%	0.73	47%	0.469	S	S	*	.	H	α-helix	trans	-94.7	-21.4	174.9	-92.1	-176	173.4	178.9	0	114.6	Q1739 T1740 I1741 T1746 T1747	Q1739-K1743 PolarHBondContact O-N 3.29Å; T1740-K1743 PolarHBondContact O-N 3.03Å; I1741-K1743 PolarHBondContact O-N 3.25Å; I1741-K1743 VanDerWaalsContact O-N 3.17Å; K1743-T1746 VanDerWaalsContact C-OG1 3.23Å; K1743-T1746 WeakPolarHBondContact CA-OG1 3.4Å; K1743-T1746 PolarHBondContact O-OG1 3.25Å; K1743-T1747 PolarHBondContact O-OG1 3.25Å; K1743-T1747 VanDerWaalsContact O-OG1 3.05Å
1744	S	36.4	Very low	41.6	Very low	65 Å²	65	92.7 Å²	92.7	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-94.2	-35.3	178.3	58.4	0	0	0	0	113.5	T1740 I1741 T1746 T1747	T1740-S1744 PolarHBondContact O-N 2.66Å; T1740-S1744 VanDerWaalsContact O-N 3.12Å; T1740-S1744 PolarHBondContact O-OG 2.87Å; I1741-S1744 PolarHBondContact O-N 3.2Å; I1741-S1744 PolarHBondContact O-OG 2.83Å; S1744-T1746 PolarHBondContact O-N 2.95Å; S1744-T1746 VanDerWaalsContact O-N 3.13Å; S1744-T1747 PolarHBondContact O-N 3.45Å
1745	I	38	Very low	43	Very low	79 Å²	79	97.8 Å²	97.8	41%	0.405	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.3	170.1	-71.1	-175.2	0	0	0	111.4	L1675 I1726 I1741	L1675-I1745 HydrophobicContact CD1-CG2 4.29Å; L1675-I1745 HydrophobicContact CD2-CG2 4.4Å; I1726-I1745 HydrophobicContact CD1-CD1 4.12Å; I1741-I1745 HydrophobicContact CG2-CD1 3.43Å; I1741-I1745 VanDerWaalsContact CG2-CD1 3.43Å; I1741-I1745 HydrophobicContact CG2-CG1 3.94Å; I1741-I1745 WeakPolarHBondContact O-CB 3.48Å; I1741-I1745 PolarHBondContact O-N 2.97Å
1746	T	32.9	Very low	44.4	Very low	64 Å²	64	91.2 Å²	91.2	39%	0.393	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-15.8	173.3	39	0	0	0	0	115.6	K1742 K1743 S1744 R1749	K1742-T1746 PolarHBondContact O-OG1 2.9Å; K1743-T1746 VanDerWaalsContact C-OG1 3.23Å; K1743-T1746 WeakPolarHBondContact CA-OG1 3.4Å; K1743-T1746 PolarHBondContact O-OG1 3.25Å; S1744-T1746 PolarHBondContact O-N 2.95Å; S1744-T1746 VanDerWaalsContact O-N 3.13Å; T1746-R1749 WeakPolarHBondContact O-CD 3.38Å; T1746-R1749 PolarHBondContact O-NE 2.96Å
1747	T	35.7	Very low	45.7	Very low	107 Å²	107	88.5 Å²	88.5	66%	0.656	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.7	20.4	-163.3	50.4	0	0	0	0	118.4	K1743 S1744	K1743-T1747 PolarHBondContact O-OG1 3.25Å; K1743-T1747 VanDerWaalsContact O-OG1 3.05Å; S1744-T1747 PolarHBondContact O-N 3.45Å
1748	K	39.8	Very low	47.2	Very low	136 Å²	136	88.7 Å²	88.7	59%	0.591	46%	0.462	S	S	*	.			trans	-120.4	51.5	153	-89.8	-163.5	176.6	-173.8	0	112.3	F1722 K1750	F1722-K1748 HydrophobicContact CD1-CD 3.78Å; F1722-K1748 HydrophobicContact CE1-CD 3.8Å; F1722-K1748 VanDerWaalsContact CE1-NZ 3.29Å; F1722-K1748 VanDerWaalsContact CZ-NZ 3.29Å; K1748-K1750 PolarHBondContact O-N 2.66Å
1749	R	47.1	Very low	48.4	Very low	68 Å²	68	92.2 Å²	92.2	26%	0.257	48%	0.475	S	S	.	.			trans	-70.3	83.8	-177.9	-69.6	171.5	165.5	-172.3	-9.5	112.8	P1678 S1705 N1707 T1709 I1711 T1746	P1678-R1749 HydrophobicContact CB-CB 4.44Å; P1678-R1749 HydrophobicContact CG-CB 3.7Å; P1678-R1749 HydrophobicContact CG-CG 4.02Å; S1705-R1749 PolarHBondContact OG-NH1 3.46Å; S1705-R1749 VanDerWaalsContact OG-NH1 3.16Å; N1707-R1749 PolarHBondContact OD1-NH2 2.66Å; T1709-R1749 PolarHBondContact OG1-NH1 3.04Å; I1711-R1749 HydrophobicContact CD1-CB 3.69Å; I1711-R1749 HydrophobicContact CD1-CG 4.5Å; I1711-R1749 HydrophobicContact CG1-CB 3.91Å; I1711-R1749 HydrophobicContact CG2-CB 4.46Å; T1746-R1749 WeakPolarHBondContact O-CD 3.38Å; T1746-R1749 PolarHBondContact O-NE 2.96Å
1750	K	48.7	Very low	49.4	Very low	81 Å²	81	89 Å²	89	35%	0.352	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-70	145.7	165.6	-76.4	167.7	172.9	-90.7	0	110.4	P1678 T1721 F1722 K1748	P1678-K1750 WeakPolarHBondContact CG-O 3.49Å; T1721-K1750 WeakPolarHBondContact O-CE 3.32Å; T1721-K1750 PolarHBondContact O-NZ 2.71Å; T1721-K1750 VanDerWaalsContact OG1-CE 3.27Å; T1721-K1750 WeakPolarHBondContact OG1-CE 3.46Å; T1721-K1750 PolarHBondContact OG1-NZ 3.25Å; F1722-K1750 WeakPolarHBondContact O-CD 3.36Å; F1722-K1750 WeakPolarHBondContact O-CE 3.3Å; K1748-K1750 PolarHBondContact O-N 2.66Å
1751	C	54.3	Low	50	Low	20 Å²	20	90.2 Å²	90.2	14%	0.135	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-89.4	120.2	165.7	-83.7	0	0	0	0	109.8	Y1679 W1680 C1703	Y1679-C1751 PolarHBondContact O-SG 3.41Å; W1680-C1751 HydrophobicContact CD2-CB 3.88Å; W1680-C1751 HydrophobicContact CG-CB 4.08Å; W1680-C1751 HydrophobicContact CZ2-CB 4.12Å; C1703-C1751 WeakPolarHBondContact CA-SG 2.94Å; C1703-C1751 HydrophobicContact CB-CB 3.93Å; C1703-C1751 WeakPolarHBondContact CB-SG 3.49Å; C1703-C1751 WeakPolarHBondContact SG-CB 3.39Å; C1703-C1751 CovalentContact SG-SG 2.03Å; C1703-C1751 PolarHBondContact SG-SG 3.33Å
1752	L	51.1	Low	51	Low	68 Å²	68	88.5 Å²	88.5	36%	0.356	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-68.1	147.5	175.4	-76.7	165.9	0	0	0	111.2	W1680 Y1723	W1680-L1752 PolarHBondContact NE1-O 2.85Å; Y1723-L1752 HydrophobicContact CE2-CD2 3.89Å; Y1723-L1752 WeakPolarHBondContact OH-CD2 3.16Å
1753	G	51.8	Low	52.1	Low	53 Å²	53	84.4 Å²	84.4	55%	0.546	47%	0.465	S	S	.	.	S	Bend	trans	84	168.8	-178.7	0	0	0	0	0	114.9	W1680	W1680-G1753 PolarHBondContact NE1-O 2.76Å
1754	P	48.2	Very low	53.1	Low	121 Å²	121	78.9 Å²	78.9	79%	0.786	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-71.6	141.4	-177.3	29	-35	0	0	0	112.4	P1756	P1754-P1756 VanDerWaalsContact O-CD 3.28Å; P1754-P1756 WeakPolarHBondContact O-CD 3.47Å
1755	R	69.8	Low	54.3	Low	144 Å²	144	85.5 Å²	85.5	54%	0.543	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-58.3	120.7	176.6	175.6	176.2	165.3	165.2	-5.5	110.9	W1680 V1701 D1758	W1680-R1755 HydrophobicContact CH2-CB 3.87Å; W1680-R1755 HydrophobicContact CH2-CG 3.95Å; W1680-R1755 HydrophobicContact CZ2-CB 3.81Å; W1680-R1755 HydrophobicContact CZ2-CG 4.39Å; W1680-R1755 HydrophobicContact CZ3-CB 4.37Å; W1680-R1755 HydrophobicContact CZ3-CG 4.06Å; V1701-R1755 HydrophobicContact CG1-CG 4.27Å; R1755-D1758 IonicContact NH2-OD2 2.62Å
1756	P	68.3	Low	55.3	Low	30 Å²	30	84.5 Å²	84.5	20%	0.195	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-59.2	142.6	177.6	-27.4	34.5	0	0	0	114.4	W1680 V1701 P1754	W1680-P1756 HydrophobicContact CB-CG 3.98Å; W1680-P1756 HydrophobicContact CG-CG 4.36Å; V1701-P1756 HydrophobicContact CG1-CB 4.07Å; V1701-P1756 HydrophobicContact CG1-CG 4.06Å; V1701-P1756 HydrophobicContact CG2-CB 4.24Å; P1754-P1756 VanDerWaalsContact O-CD 3.28Å; P1754-P1756 WeakPolarHBondContact O-CD 3.47Å
1757	I	60.5	Low	56.5	Low	122 Å²	122	82.6 Å²	82.6	63%	0.626	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-56.6	137.1	173.9	-60.4	170	0	0	0	110.7	R1699 K1759 I1760	R1699-I1757 VanDerWaalsContact CZ-O 3.22Å; R1699-I1757 PolarHBondContact NE-O 3.46Å; R1699-I1757 PolarHBondContact NH2-O 3.14Å; I1757-K1759 WeakPolarHBondContact CG2-O 3.09Å; I1757-I1760 HydrophobicContact CG2-CG2 4.42Å
1758	D	69.9	Low	57.6	Low	57 Å²	57	83.8 Å²	83.8	31%	0.305	46%	0.455	S	S	.	.			trans	-107.4	-6.9	-173.2	60.4	10.8	0	0	0	115.6	S1698 R1699 V1701 R1755	S1698-D1758 CarbonylContact C-O 3.55Å; S1698-D1758 WeakPolarHBondContact CA-O 3.41Å; S1698-D1758 WeakPolarHBondContact CB-O 3.25Å; R1699-D1758 PolarHBondContact N-O 3.22Å; V1701-D1758 HydrophobicContact CG2-CB 4.22Å; R1755-D1758 IonicContact NH2-OD2 2.62Å
1759	K	69.9	Low	58.6	Low	140 Å²	140	79.2 Å²	79.2	61%	0.609	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	137	178.5	-62.4	170.4	-171.7	170.5	0	112.1	R1697 I1757	R1697-K1759 WeakPolarHBondContact O-CA 2.97Å; I1757-K1759 WeakPolarHBondContact CG2-O 3.09Å
1760	I	59.6	Low	59.3	Low	65 Å²	65	82 Å²	82	33%	0.333	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	163.6	165.2	77.2	160.5	0	0	0	112.8	W1685 I1696 R1697 I1757	W1685-I1760 HydrophobicContact CH2-CG1 4.41Å; W1685-I1760 HydrophobicContact CH2-CG2 3.75Å; W1685-I1760 HydrophobicContact CZ2-CG2 4.16Å; W1685-I1760 HydrophobicContact CZ3-CG2 4.37Å; I1696-I1760 WeakPolarHBondContact CA-O 3.49Å; R1697-I1760 HydrophobicContact CG-CG1 3.74Å; R1697-I1760 PolarHBondContact N-O 3.11Å; R1697-I1760 PolarHBondContact O-N 3.19Å; I1757-I1760 HydrophobicContact CG2-CG2 4.42Å
1761	S	52.3	Low	60.2	Low	103 Å²	103	85.6 Å²	85.6	72%	0.72	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	149.7	169.9	-60.3	0	0	0	0	112.5
1762	C	64.7	Low	61.4	Low	22 Å²	22	85.6 Å²	85.6	15%	0.149	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	139	175.8	44.4	0	0	0	0	111.7	C1688 G1695 R1697	C1688-C1762 WeakPolarHBondContact CA-SG 3.37Å; C1688-C1762 HydrophobicContact CB-CB 4.01Å; C1688-C1762 WeakPolarHBondContact CB-SG 3.43Å; C1688-C1762 WeakPolarHBondContact SG-CB 3.37Å; C1688-C1762 PolarHBondContact SG-O 3.04Å; C1688-C1762 VanDerWaalsContact SG-O 3.37Å; C1688-C1762 CovalentContact SG-SG 2.04Å; C1688-C1762 PolarHBondContact SG-SG 2.79Å; G1695-C1762 VanDerWaalsContact C-SG 3.53Å; G1695-C1762 PolarHBondContact N-O 3.05Å; G1695-C1762 PolarHBondContact O-N 2.01Å; G1695-C1762 PolarHBondContact O-SG 3.34Å; R1697-C1762 HydrophobicContact CG-CB 4.25Å; R1697-C1762 PolarHBondContact N-SG 2.84Å
1763	G	60.3	Low	62.5	Low	60 Å²	60	83.1 Å²	83.1	62%	0.619	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	143.5	162.4	0	0	0	0	0	109.4
1764	T	55.7	Low	63.8	Low	51 Å²	51	81.8 Å²	81.8	31%	0.313	45%	0.448	S	S	.	.			trans	-109.4	-136.8	175.3	40.4	0	0	0	0	109.8	C1688 C1692 G1693 W1775	C1688-T1764 HydrophobicContact CB-CG2 3.6Å; C1692-T1764 WeakPolarHBondContact CA-OG1 3.26Å; C1692-T1764 PolarHBondContact N-OG1 2.73Å; G1693-T1764 PolarHBondContact N-OG1 3.41Å; G1693-T1764 PolarHBondContact O-N 3.1Å; G1693-T1764 PolarHBondContact O-OG1 2.65Å; G1693-T1764 VanDerWaalsContact O-OG1 3.11Å; T1764-W1775 WeakPolarHBondContact O-CH2 3.28Å
1765	R	61.9	Low	65	Low	204 Å²	204	78 Å²	78	77%	0.77	42%	0.418	S	S	*	.	B	Isolated β-bridge	trans	-94.2	165.5	170.3	-73.3	-175.8	178.8	-178.6	-0.2	110	C1692 G1693 W1775	C1692-R1765 CarbonylContact C-O 3.5Å; C1692-R1765 WeakPolarHBondContact CA-O 3.15Å; C1692-R1765 VanDerWaalsContact CB-O 3.29Å; C1692-R1765 WeakPolarHBondContact CB-O 3.48Å; G1693-R1765 PolarHBondContact N-O 2.98Å; R1765-W1775 VanDerWaalsContact C-CH2 3.47Å; R1765-W1775 VanDerWaalsContact C-CZ3 3.48Å; R1765-W1775 VanDerWaalsContact O-CZ3 3.24Å; R1765-W1775 WeakPolarHBondContact O-CZ3 3.39Å
1766	P	59.2	Low	65	Low	58 Å²	58	72.6 Å²	72.6	38%	0.377	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-52.9	144.3	160.2	-19.1	30	0	0	0	109.8	F1773 W1775	P1766-F1773 HydrophobicContact CB-CE2 3.8Å; P1766-F1773 HydrophobicContact CB-CZ 3.64Å; P1766-W1775 HydrophobicContact CB-CD2 4.19Å; P1766-W1775 HydrophobicContact CB-CE3 4.43Å; P1766-W1775 HydrophobicContact CG-CD2 4.13Å; P1766-W1775 HydrophobicContact CG-CH2 4.43Å; P1766-W1775 HydrophobicContact CG-CZ2 3.92Å
1767	C	57.4	Low	65.2	Low	25 Å²	25	75 Å²	75	17%	0.169	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-66.1	151.2	176.8	-67	0	0	0	0	111.2	C1692 F1773 P1801	C1692-C1767 VanDerWaalsContact C-SG 3.54Å; C1692-C1767 HydrophobicContact CB-CB 3.73Å; C1692-C1767 WeakPolarHBondContact CB-SG 3.23Å; C1692-C1767 WeakPolarHBondContact SG-CA 3.29Å; C1692-C1767 WeakPolarHBondContact SG-CB 3.48Å; C1692-C1767 CovalentContact SG-SG 2.03Å; C1692-C1767 PolarHBondContact SG-SG 3.06Å; C1767-F1773 HydrophobicContact CB-CB 4.32Å; C1767-F1773 HydrophobicContact CB-CD1 3.6Å; C1767-F1773 HydrophobicContact CB-CD2 3.91Å; C1767-F1773 HydrophobicContact CB-CE1 3.85Å; C1767-F1773 HydrophobicContact CB-CE2 4.11Å; C1767-F1773 HydrophobicContact CB-CG 3.66Å; C1767-F1773 HydrophobicContact CB-CZ 4.09Å; C1767-F1773 WeakPolarHBondContact O-CE1 3.08Å; C1767-F1773 WeakPolarHBondContact O-CZ 3.37Å; C1767-P1801 WeakPolarHBondContact O-CG 3.44Å
1768	T	59.3	Low	65.5	Low	131 Å²	131	71.2 Å²	71.2	80%	0.804	40%	0.403	S	S	*	.			trans	-122.5	14.1	-177.5	58.1	0	0	0	0	112.8
1769	G	59.8	Low	65	Low	41 Å²	41	71.6 Å²	71.6	42%	0.423	41%	0.41	S	S	.	.	S	Bend	trans	-74.2	-179.4	174.1	0	0	0	0	0	112.9	E1771 P1801	G1769-E1771 VanDerWaalsContact C-N 3.32Å; G1769-P1801 VanDerWaalsContact O-CB 3.28Å; G1769-P1801 WeakPolarHBondContact O-CB 3.39Å; G1769-P1801 WeakPolarHBondContact O-CD 3.42Å; G1769-P1801 WeakPolarHBondContact O-CG 3.26Å
1770	L	63	Low	64.6	Low	126 Å²	126	67 Å²	67	66%	0.66	40%	0.396	S	S	*	.	S	Bend	trans	-78.3	-23.8	170.5	-66	175.6	0	0	0	112.2
1771	E	67.6	Low	64.6	Low	157 Å²	157	71.7 Å²	71.7	73%	0.734	42%	0.416	S	S	*	.	S	Bend	trans	-68.2	151	176.1	-68	168.8	-177.7	0	0	111.7	G1769 P1801	G1769-E1771 VanDerWaalsContact C-N 3.32Å; E1771-P1801 WeakPolarHBondContact O-CD 3.27Å
1772	V	78.4	Confident	64.7	Low	20 Å²	20	69 Å²	69	12%	0.121	40%	0.397	C	S	.	.			trans	-94.6	147.6	-179.1	-61.1	0	0	0	0	110.1	L1799 V1806 A1810 C1811 L1814	V1772-L1799 VanDerWaalsContact CA-O 3.25Å; V1772-L1799 WeakPolarHBondContact CA-O 3.07Å; V1772-V1806 HydrophobicContact CB-CG2 4.44Å; V1772-V1806 HydrophobicContact CG1-CG2 4.02Å; V1772-A1810 HydrophobicContact CB-CB 4.43Å; V1772-A1810 HydrophobicContact CG1-CB 4.24Å; V1772-A1810 VanDerWaalsContact CG2-C 3.47Å; V1772-A1810 HydrophobicContact CG2-CB 3.86Å; V1772-A1810 VanDerWaalsContact CG2-O 3.25Å; V1772-A1810 WeakPolarHBondContact CG2-O 3.27Å; V1772-C1811 HydrophobicContact CG2-CB 4.46Å; V1772-L1814 WeakPolarHBondContact O-CD1 3.5Å
1773	F	74.3	Confident	64.1	Low	16 Å²	16	72 Å²	72	7%	0.07	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.4	-169.7	64.9	-74.1	0	0	0	112.1	P1766 C1767 W1775 L1799 P1801	P1766-F1773 HydrophobicContact CB-CE2 3.8Å; P1766-F1773 HydrophobicContact CB-CZ 3.64Å; C1767-F1773 HydrophobicContact CB-CB 4.32Å; C1767-F1773 HydrophobicContact CB-CD1 3.6Å; C1767-F1773 HydrophobicContact CB-CD2 3.91Å; C1767-F1773 HydrophobicContact CB-CE1 3.85Å; C1767-F1773 HydrophobicContact CB-CE2 4.11Å; C1767-F1773 HydrophobicContact CB-CG 3.66Å; C1767-F1773 HydrophobicContact CB-CZ 4.09Å; C1767-F1773 WeakPolarHBondContact O-CE1 3.08Å; C1767-F1773 WeakPolarHBondContact O-CZ 3.37Å; F1773-W1775 HydrophobicContact CD2-CB 4.05Å; F1773-W1775 HydrophobicContact CD2-CE3 4.46Å; F1773-W1775 HydrophobicContact CE2-CB 3.66Å; F1773-W1775 HydrophobicContact CE2-CD2 4.18Å; F1773-W1775 HydrophobicContact CE2-CE3 4.02Å; F1773-W1775 HydrophobicContact CE2-CG 4.04Å; F1773-L1799 HydrophobicContact CD1-CB 4.25Å; F1773-L1799 WeakPolarHBondContact CD1-O 3.03Å; F1773-L1799 HydrophobicContact CE1-CB 3.61Å; F1773-L1799 WeakPolarHBondContact CE1-O 3.43Å; F1773-L1799 HydrophobicContact CE2-CB 4.17Å; F1773-L1799 HydrophobicContact CE2-CD1 4.21Å; F1773-L1799 HydrophobicContact CZ-CB 3.57Å; F1773-L1799 HydrophobicContact CZ-CD1 3.93Å; F1773-L1799 HydrophobicContact CZ-CG 4.32Å; F1773-L1799 PolarHBondContact N-O 3.4Å; F1773-L1799 PolarHBondContact O-N 3.03Å; F1773-P1801 HydrophobicContact CD1-CG 4.41Å; F1773-P1801 HydrophobicContact CE1-CG 3.78Å
1774	W	79.7	Confident	63.4	Low	25 Å²	25	72.5 Å²	72.5	10%	0.095	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127	173	-66.3	118	0	0	0	111.1	I1796 C1798 D1808 C1811 L1814 K1816 P1817	W1774-I1796 HydrophobicContact CB-CG2 4.1Å; W1774-I1796 HydrophobicContact CD2-CG2 4.2Å; W1774-I1796 HydrophobicContact CE3-CG2 3.59Å; W1774-I1796 HydrophobicContact CG-CG2 4.46Å; W1774-I1796 HydrophobicContact CZ3-CG2 4.35Å; W1774-C1798 HydrophobicContact CE3-CB 4.2Å; W1774-C1798 HydrophobicContact CH2-CB 4.3Å; W1774-C1798 HydrophobicContact CZ3-CB 3.86Å; W1774-D1808 HydrophobicContact CH2-CB 3.92Å; W1774-D1808 WeakPolarHBondContact CH2-OD2 3.08Å; W1774-D1808 HydrophobicContact CZ3-CB 4.37Å; W1774-D1808 WeakPolarHBondContact CZ3-OD2 3.33Å; W1774-C1811 HydrophobicContact CD2-CB 3.9Å; W1774-C1811 HydrophobicContact CE3-CB 4.35Å; W1774-C1811 HydrophobicContact CH2-CB 3.94Å; W1774-C1811 HydrophobicContact CZ2-CB 3.43Å; W1774-C1811 VanDerWaalsContact CZ2-CB 3.43Å; W1774-C1811 HydrophobicContact CZ3-CB 4.37Å; W1774-L1814 PolarHBondContact NE1-O 3.15Å; W1774-K1816 HydrophobicContact CD2-CB 4.25Å; W1774-K1816 HydrophobicContact CD2-CD 4.47Å; W1774-K1816 HydrophobicContact CD2-CG 3.89Å; W1774-K1816 HydrophobicContact CE3-CD 4.26Å; W1774-K1816 HydrophobicContact CE3-CG 4.07Å; W1774-K1816 HydrophobicContact CH2-CD 3.57Å; W1774-K1816 HydrophobicContact CH2-CG 4.04Å; W1774-K1816 HydrophobicContact CZ2-CB 3.84Å; W1774-K1816 HydrophobicContact CZ2-CD 3.78Å; W1774-K1816 HydrophobicContact CZ2-CG 3.84Å; W1774-K1816 HydrophobicContact CZ3-CD 3.82Å; W1774-K1816 HydrophobicContact CZ3-CG 4.14Å; W1774-P1817 VanDerWaalsContact CB-CD 3.43Å; W1774-P1817 HydrophobicContact CB-CG 3.97Å
1775	W	73.5	Confident	62.9	Low	41 Å²	41	76.6 Å²	76.6	16%	0.155	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.8	179.4	-172.5	-100.6	0	0	0	112.4	T1764 R1765 P1766 F1773 V1777 I1796 K1797 L1799	T1764-W1775 WeakPolarHBondContact O-CH2 3.28Å; R1765-W1775 VanDerWaalsContact C-CH2 3.47Å; R1765-W1775 VanDerWaalsContact C-CZ3 3.48Å; R1765-W1775 VanDerWaalsContact O-CZ3 3.24Å; R1765-W1775 WeakPolarHBondContact O-CZ3 3.39Å; P1766-W1775 HydrophobicContact CB-CD2 4.19Å; P1766-W1775 HydrophobicContact CB-CE3 4.43Å; P1766-W1775 HydrophobicContact CG-CD2 4.13Å; P1766-W1775 HydrophobicContact CG-CH2 4.43Å; P1766-W1775 HydrophobicContact CG-CZ2 3.92Å; F1773-W1775 HydrophobicContact CD2-CB 4.05Å; F1773-W1775 HydrophobicContact CD2-CE3 4.46Å; F1773-W1775 HydrophobicContact CE2-CB 3.66Å; F1773-W1775 HydrophobicContact CE2-CD2 4.18Å; F1773-W1775 HydrophobicContact CE2-CE3 4.02Å; F1773-W1775 HydrophobicContact CE2-CG 4.04Å; W1775-V1777 PolarHBondContact O-N 2.94Å; W1775-V1777 VanDerWaalsContact O-N 3.1Å; W1775-I1796 WeakPolarHBondContact O-CA 3.38Å; W1775-K1797 PolarHBondContact N-O 2.82Å; W1775-K1797 PolarHBondContact O-N 2.82Å; W1775-K1797 VanDerWaalsContact O-N 3.08Å; W1775-L1799 HydrophobicContact CB-CD1 3.57Å; W1775-L1799 HydrophobicContact CB-CG 3.98Å; W1775-L1799 HydrophobicContact CG-CD1 3.81Å
1776	P	70.3	Confident	61.9	Low	30 Å²	30	68.5 Å²	68.5	20%	0.195	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	97.7	168.9	31.1	-33.1	0	0	0	109.7	A1778 R1794 I1796	P1776-A1778 VanDerWaalsContact C-N 3.31Å; P1776-R1794 HydrophobicContact CB-CB 4.28Å; P1776-I1796 HydrophobicContact CB-CG1 4.43Å
1777	V	71.5	Confident	61	Low	81 Å²	81	68.4 Å²	68.4	49%	0.491	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-29.3	-179.9	-165.5	0	0	0	0	111.4	W1775 I1795 K1797 L1799	W1775-V1777 PolarHBondContact O-N 2.94Å; W1775-V1777 VanDerWaalsContact O-N 3.1Å; V1777-I1795 PolarHBondContact N-O 2.67Å; V1777-K1797 HydrophobicContact CG2-CB 3.67Å; V1777-K1797 HydrophobicContact CG2-CG 3.71Å; V1777-L1799 HydrophobicContact CG2-CD2 4.29Å
1778	A	66.5	Low	60.1	Low	42 Å²	42	73.8 Å²	73.8	35%	0.347	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160.2	167.1	0	0	0	0	0	110.1	P1776 R1794 I1795	P1776-A1778 VanDerWaalsContact C-N 3.31Å; A1778-R1794 CarbonylContact O-C 3.56Å; A1778-R1794 WeakPolarHBondContact O-CA 3.43Å; A1778-I1795 HydrophobicContact CB-CB 4.17Å; A1778-I1795 HydrophobicContact CB-CD1 4.07Å; A1778-I1795 HydrophobicContact CB-CG1 4.17Å; A1778-I1795 PolarHBondContact O-N 2.73Å
1779	S	60.5	Low	59.5	Low	66 Å²	66	73.7 Å²	73.7	46%	0.462	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.4	163.5	-57.6	0	0	0	0	107.8	E1793	S1779-E1793 CarbonylContact C-O 3.56Å; S1779-E1793 WeakPolarHBondContact CA-O 3.35Å
1780	S	62.1	Low	58.9	Low	44 Å²	44	72 Å²	72	31%	0.308	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	170.6	170.1	72	0	0	0	0	110.3	E1793	S1780-E1793 PolarHBondContact N-O 3.14Å; S1780-E1793 PolarHBondContact OG-N 2.83Å
1781	E	58.7	Low	58.6	Low	162 Å²	162	69.9 Å²	69.9	76%	0.757	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	162.2	155.3	-56.8	-166	153.7	0	0	109.9	N1783	E1781-N1783 PolarHBondContact O-N 2.03Å; E1781-N1783 VanDerWaalsContact O-N 3.11Å
1782	C	55.3	Low	58.6	Low	48 Å²	48	67.1 Å²	67.1	32%	0.324	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	113.1	173.9	-56.7	0	0	0	0	108.3	I1784 C1823	C1782-I1784 VanDerWaalsContact C-N 3.34Å; C1782-I1784 HydrophobicContact CB-CD1 4.31Å; C1782-I1784 PolarHBondContact O-N 3.43Å; C1782-C1823 HydrophobicContact CB-CB 3.85Å; C1782-C1823 WeakPolarHBondContact CB-SG 3.36Å; C1782-C1823 WeakPolarHBondContact SG-CB 3.35Å; C1782-C1823 CovalentContact SG-SG 2.04Å; C1782-C1823 PolarHBondContact SG-SG 3.48Å
1783	N	51.2	Low	58	Low	84 Å²	84	71.7 Å²	71.7	45%	0.449	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	92.4	-177.1	-85.5	-15.1	0	0	0	109.8	E1781 K1791	E1781-N1783 PolarHBondContact O-N 2.03Å; E1781-N1783 VanDerWaalsContact O-N 3.11Å; N1783-K1791 WeakPolarHBondContact CB-O 3.25Å; N1783-K1791 PolarHBondContact N-O 3.03Å
1784	I	46	Very low	57.9	Low	70 Å²	70	72.6 Å²	72.6	36%	0.359	40%	0.395	S	S	.	.			trans	-100.7	86.8	175.9	-69.1	161	0	0	0	106.9	C1782 A1790 F1826	C1782-I1784 VanDerWaalsContact C-N 3.34Å; C1782-I1784 HydrophobicContact CB-CD1 4.31Å; C1782-I1784 PolarHBondContact O-N 3.43Å; I1784-A1790 HydrophobicContact CG1-CB 4.12Å; I1784-F1826 HydrophobicContact CD1-CB 3.84Å; I1784-F1826 HydrophobicContact CD1-CD1 4.4Å; I1784-F1826 HydrophobicContact CD1-CD2 3.54Å; I1784-F1826 HydrophobicContact CD1-CE2 4.3Å; I1784-F1826 HydrophobicContact CD1-CG 3.68Å; I1784-F1826 HydrophobicContact CG1-CB 4.35Å; I1784-F1826 HydrophobicContact CG2-CB 4.42Å
1785	T	45.2	Very low	57.8	Low	137 Å²	137	76.2 Å²	76.2	84%	0.84	42%	0.415	S	S	*	.	S	Bend	trans	-126.4	5.9	176.9	58	0	0	0	0	112.7
1786	G	41.2	Very low	58.1	Low	35 Å²	35	74.8 Å²	74.8	36%	0.361	41%	0.41	S	S	.	.	S	Bend	trans	169.9	169.6	-177.4	0	0	0	0	0	112.5	E1788 C1828	G1786-E1788 PolarHBondContact O-N 2.86Å; G1786-C1828 PolarHBondContact O-SG 2.95Å
1787	C	39.2	Very low	58.5	Low	55 Å²	55	77.9 Å²	77.9	37%	0.372	42%	0.421	S	S	.	.	S	Bend	trans	-76.2	32.7	-162.7	-42.1	0	0	0	0	116.1	C1828 K1829 R1830	C1787-C1828 HydrophobicContact CB-CB 4.29Å; C1787-K1829 PolarHBondContact SG-N 3.31Å; C1787-K1829 VanDerWaalsContact SG-N 3.37Å; C1787-R1830 HydrophobicContact CB-CG 4.09Å; C1787-R1830 VanDerWaalsContact SG-CG 3.52Å; C1787-R1830 PolarHBondContact SG-N 2.9Å
1788	E	39.9	Very low	59.1	Low	139 Å²	139	74 Å²	74	65%	0.65	40%	0.397	S	S	*	.	S	Bend	trans	-99.7	163.4	174.4	-62.5	-165.8	-179.8	0	0	111.3	G1786 A1790 K1791	G1786-E1788 PolarHBondContact O-N 2.86Å; E1788-A1790 PolarHBondContact O-N 3.49Å; E1788-K1791 IonicContact OE2-NZ 3.1Å; E1788-K1791 PolarHBondContact OE2-NZ 3Å
1789	L	46.2	Very low	59.5	Low	128 Å²	128	73.2 Å²	73.2	67%	0.67	39%	0.387	S	S	*	.			trans	-49.5	114.4	172.3	-71.4	163.5	0	0	0	110.1	K1791	L1789-K1791 WeakPolarHBondContact O-CG 3.46Å; L1789-K1791 PolarHBondContact O-N 2.87Å
1790	A	47.3	Very low	60.2	Low	7 Å²	7	70.8 Å²	70.8	6%	0.058	37%	0.37	C	S	.	.			trans	-60	108.1	-173.8	0	0	0	0	0	110.8	I1784 E1788 C1823 S1825	I1784-A1790 HydrophobicContact CG1-CB 4.12Å; E1788-A1790 PolarHBondContact O-N 3.49Å; A1790-C1823 HydrophobicContact CB-CB 4.21Å; A1790-C1823 PolarHBondContact O-N 2.94Å; A1790-S1825 WeakPolarHBondContact CB-O 3.27Å
1791	K	56.9	Low	60.4	Low	80 Å²	80	71.3 Å²	71.3	35%	0.348	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118.2	177.2	-66.1	146.4	-161.8	161.3	0	107.4	N1783 E1788 L1789 W1820 T1821	N1783-K1791 WeakPolarHBondContact CB-O 3.25Å; N1783-K1791 PolarHBondContact N-O 3.03Å; E1788-K1791 IonicContact OE2-NZ 3.1Å; E1788-K1791 PolarHBondContact OE2-NZ 3Å; L1789-K1791 WeakPolarHBondContact O-CG 3.46Å; L1789-K1791 PolarHBondContact O-N 2.87Å; K1791-W1820 HydrophobicContact CB-CB 4.17Å; K1791-W1820 HydrophobicContact CG-CB 4.44Å; K1791-W1820 HydrophobicContact CG-CD2 4.28Å; K1791-W1820 HydrophobicContact CG-CE3 3.98Å; K1791-W1820 HydrophobicContact CG-CG 4.48Å; K1791-T1821 WeakPolarHBondContact CA-O 3.43Å
1792	R	66.9	Low	60.9	Low	100 Å²	100	73.3 Å²	73.3	38%	0.377	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	128.7	152.3	60.6	-178.9	175.2	163.7	-2.3	107.6	W1820 T1821	R1792-W1820 CarbonylContact O-C 3.56Å; R1792-W1820 WeakPolarHBondContact O-CA 3.3Å; R1792-W1820 WeakPolarHBondContact O-CB 3.26Å; R1792-T1821 HydrophobicContact CG-CG2 4.22Å; R1792-T1821 PolarHBondContact N-O 3.48Å; R1792-T1821 PolarHBondContact NE-OG1 2.89Å; R1792-T1821 PolarHBondContact NH2-OG1 3.31Å; R1792-T1821 PolarHBondContact O-N 3.4Å
1793	E	66.5	Low	61.5	Low	116 Å²	116	81 Å²	81	54%	0.542	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	159	171.5	-61.9	-161.5	140.2	0	0	110.7	S1779 S1780 N1819	S1779-E1793 CarbonylContact C-O 3.56Å; S1779-E1793 WeakPolarHBondContact CA-O 3.35Å; S1780-E1793 PolarHBondContact N-O 3.14Å; S1780-E1793 PolarHBondContact OG-N 2.83Å; E1793-N1819 CarbonylContact C-O 3.58Å; E1793-N1819 WeakPolarHBondContact CA-O 3.4Å
1794	R	71.3	Confident	62.3	Low	35 Å²	35	78.5 Å²	78.5	13%	0.132	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	120.2	175.6	-62.4	-170.8	-64.1	-161.9	-3.3	108.7	M1694 P1776 A1778 I1796 L1818 N1819 W1820 T1821	M1694-R1794 PolarHBondContact SD-NH1 3.21Å; P1776-R1794 HydrophobicContact CB-CB 4.28Å; A1778-R1794 CarbonylContact O-C 3.56Å; A1778-R1794 WeakPolarHBondContact O-CA 3.43Å; R1794-I1796 VanDerWaalsContact C-N 3.28Å; R1794-I1796 HydrophobicContact CB-CD1 4.27Å; R1794-I1796 HydrophobicContact CB-CG1 4.02Å; R1794-I1796 PolarHBondContact O-N 3.23Å; R1794-L1818 PolarHBondContact NE-O 2.86Å; R1794-L1818 PolarHBondContact NH2-O 3.14Å; R1794-N1819 PolarHBondContact N-O 3.12Å; R1794-W1820 PolarHBondContact NH2-O 2.94Å; R1794-T1821 HydrophobicContact CG-CG2 4.16Å; R1794-T1821 VanDerWaalsContact CZ-CG2 3.46Å
1795	I	77.4	Confident	63.5	Low	100 Å²	100	79.8 Å²	79.8	51%	0.513	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	88.9	173	-56.6	-174.4	0	0	0	107.4	V1777 A1778 K1797	V1777-I1795 PolarHBondContact N-O 2.67Å; A1778-I1795 HydrophobicContact CB-CB 4.17Å; A1778-I1795 HydrophobicContact CB-CD1 4.07Å; A1778-I1795 HydrophobicContact CB-CG1 4.17Å; A1778-I1795 PolarHBondContact O-N 2.73Å; I1795-K1797 HydrophobicContact CG2-CG 4.48Å
1796	I	79.4	Confident	65.2	Low	11 Å²	11	74.7 Å²	74.7	6%	0.056	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	122.5	178.1	-68.3	172.3	0	0	0	109	W1774 W1775 P1776 R1794 K1816 P1817 L1818	W1774-I1796 HydrophobicContact CB-CG2 4.1Å; W1774-I1796 HydrophobicContact CD2-CG2 4.2Å; W1774-I1796 HydrophobicContact CE3-CG2 3.59Å; W1774-I1796 HydrophobicContact CG-CG2 4.46Å; W1774-I1796 HydrophobicContact CZ3-CG2 4.35Å; W1775-I1796 WeakPolarHBondContact O-CA 3.38Å; P1776-I1796 HydrophobicContact CB-CG1 4.43Å; R1794-I1796 VanDerWaalsContact C-N 3.28Å; R1794-I1796 HydrophobicContact CB-CD1 4.27Å; R1794-I1796 HydrophobicContact CB-CG1 4.02Å; R1794-I1796 PolarHBondContact O-N 3.23Å; I1796-K1816 HydrophobicContact CG2-CG 4.33Å; I1796-P1817 HydrophobicContact CD1-CB 3.98Å; I1796-P1817 WeakPolarHBondContact CD1-O 3.06Å; I1796-L1818 WeakPolarHBondContact CD1-O 3.42Å
1797	K	78.4	Confident	67.1	Low	96 Å²	96	79.9 Å²	79.9	42%	0.417	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	151.7	173.1	-66.3	-65.5	-173.5	178	0	110.6	W1775 V1777 I1795 L1799	W1775-K1797 PolarHBondContact N-O 2.82Å; W1775-K1797 PolarHBondContact O-N 2.82Å; W1775-K1797 VanDerWaalsContact O-N 3.08Å; V1777-K1797 HydrophobicContact CG2-CB 3.67Å; V1777-K1797 HydrophobicContact CG2-CG 3.71Å; I1795-K1797 HydrophobicContact CG2-CG 4.48Å; K1797-L1799 HydrophobicContact CB-CD2 4.05Å; K1797-L1799 PolarHBondContact O-N 2.97Å
1798	C	84.6	Confident	69	Low	0 Å²	0	79.6 Å²	79.6	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	117.6	160.4	-172.6	0	0	0	0	109	W1774 V1806 D1808 C1811	W1774-C1798 HydrophobicContact CE3-CB 4.2Å; W1774-C1798 HydrophobicContact CH2-CB 4.3Å; W1774-C1798 HydrophobicContact CZ3-CB 3.86Å; C1798-V1806 HydrophobicContact CB-CG2 4.2Å; C1798-V1806 PolarHBondContact O-N 2.63Å; C1798-V1806 VanDerWaalsContact SG-CG2 3.59Å; C1798-D1808 PolarHBondContact N-OD1 3.32Å; C1798-C1811 WeakPolarHBondContact CA-SG 3.2Å; C1798-C1811 HydrophobicContact CB-CB 3.73Å; C1798-C1811 WeakPolarHBondContact CB-SG 3.46Å; C1798-C1811 WeakPolarHBondContact SG-CB 3.25Å; C1798-C1811 PolarHBondContact SG-N 2.95Å; C1798-C1811 CovalentContact SG-SG 2.03Å; C1798-C1811 PolarHBondContact SG-SG 2.86Å
1799	L	74.9	Confident	71	Confident	24 Å²	24	76.8 Å²	76.8	13%	0.126	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.7	177.4	-61.9	-171	0	0	0	110.5	V1772 F1773 W1775 V1777 K1797 P1805	V1772-L1799 VanDerWaalsContact CA-O 3.25Å; V1772-L1799 WeakPolarHBondContact CA-O 3.07Å; F1773-L1799 HydrophobicContact CD1-CB 4.25Å; F1773-L1799 WeakPolarHBondContact CD1-O 3.03Å; F1773-L1799 HydrophobicContact CE1-CB 3.61Å; F1773-L1799 WeakPolarHBondContact CE1-O 3.43Å; F1773-L1799 HydrophobicContact CE2-CB 4.17Å; F1773-L1799 HydrophobicContact CE2-CD1 4.21Å; F1773-L1799 HydrophobicContact CZ-CB 3.57Å; F1773-L1799 HydrophobicContact CZ-CD1 3.93Å; F1773-L1799 HydrophobicContact CZ-CG 4.32Å; F1773-L1799 PolarHBondContact N-O 3.4Å; F1773-L1799 PolarHBondContact O-N 3.03Å; W1775-L1799 HydrophobicContact CB-CD1 3.57Å; W1775-L1799 HydrophobicContact CB-CG 3.98Å; W1775-L1799 HydrophobicContact CG-CD1 3.81Å; V1777-L1799 HydrophobicContact CG2-CD2 4.29Å; K1797-L1799 HydrophobicContact CB-CD2 4.05Å; K1797-L1799 PolarHBondContact O-N 2.97Å; L1799-P1805 HydrophobicContact CD2-CB 4.3Å; L1799-P1805 HydrophobicContact CD2-CG 4.2Å
1800	S	75.5	Confident	72.6	Confident	16 Å²	16	72.6 Å²	72.6	11%	0.112	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.8	166.8	178.5	0	0	0	0	109.3	R1802 R1803 G1804 V1806	S1800-R1802 PolarHBondContact O-N 3.01Å; S1800-R1803 PolarHBondContact O-N 3.35Å; S1800-G1804 PolarHBondContact N-O 2.85Å; S1800-G1804 PolarHBondContact O-N 2.9Å; S1800-V1806 VanDerWaalsContact CB-CG1 3.41Å
1801	P	65.8	Low	74.3	Confident	54 Å²	54	72.2 Å²	72.2	35%	0.351	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-5.6	-179.3	-31	43.2	0	0	0	116.2	C1767 G1769 E1771 F1773	C1767-P1801 WeakPolarHBondContact O-CG 3.44Å; G1769-P1801 VanDerWaalsContact O-CB 3.28Å; G1769-P1801 WeakPolarHBondContact O-CB 3.39Å; G1769-P1801 WeakPolarHBondContact O-CD 3.42Å; G1769-P1801 WeakPolarHBondContact O-CG 3.26Å; E1771-P1801 WeakPolarHBondContact O-CD 3.27Å; F1773-P1801 HydrophobicContact CD1-CG 4.41Å; F1773-P1801 HydrophobicContact CE1-CG 3.78Å
1802	R	69.4	Low	75.3	Confident	204 Å²	204	74.3 Å²	74.3	77%	0.77	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-18.6	171.1	-72.6	-172.4	172.4	-172	-0.8	115.2	S1800	S1800-R1802 PolarHBondContact O-N 3.01Å
1803	R	68.5	Low	75.7	Confident	209 Å²	209	75.6 Å²	75.6	79%	0.789	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	-1.8	-173	-68.4	-177.5	179	176.5	-2.1	113.9	S1800 V1806	S1800-R1803 PolarHBondContact O-N 3.35Å; R1803-V1806 HydrophobicContact CB-CG1 3.63Å
1804	G	67.7	Low	76	Confident	33 Å²	33	73.5 Å²	73.5	34%	0.34	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	69.9	-136.4	-171.6	0	0	0	0	0	110.1	S1800 V1806	S1800-G1804 PolarHBondContact N-O 2.85Å; S1800-G1804 PolarHBondContact O-N 2.9Å; G1804-V1806 PolarHBondContact O-N 3.29Å
1805	P	71.9	Confident	76	Confident	97 Å²	97	80.8 Å²	80.8	63%	0.63	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	126.8	170	-20	32.8	0	0	0	111	L1799	L1799-P1805 HydrophobicContact CD2-CB 4.3Å; L1799-P1805 HydrophobicContact CD2-CG 4.2Å
1806	V	80	Confident	76	Confident	29 Å²	29	80 Å²	80	18%	0.176	40%	0.399	C	S	.	.			trans	-115.1	165.7	170.6	-71.9	0	0	0	0	110	V1772 C1798 S1800 R1803 G1804 D1808 A1810	V1772-V1806 HydrophobicContact CB-CG2 4.44Å; V1772-V1806 HydrophobicContact CG1-CG2 4.02Å; C1798-V1806 HydrophobicContact CB-CG2 4.2Å; C1798-V1806 PolarHBondContact O-N 2.63Å; C1798-V1806 VanDerWaalsContact SG-CG2 3.59Å; S1800-V1806 VanDerWaalsContact CB-CG1 3.41Å; R1803-V1806 HydrophobicContact CB-CG1 3.63Å; G1804-V1806 PolarHBondContact O-N 3.29Å; V1806-D1808 PolarHBondContact O-N 3.06Å; V1806-A1810 HydrophobicContact CG2-CB 4.12Å
1807	H	81.8	Confident	75.5	Confident	145 Å²	145	81.3 Å²	81.3	67%	0.671	41%	0.408	S	S	*	.			trans	-58	133.4	176.7	-162.7	-104.5	0	0	0	110.3	T1809 A1810	H1807-T1809 WeakPolarHBondContact ND1-CG2 3.44Å; H1807-T1809 PolarHBondContact ND1-OG1 3.34Å; H1807-T1809 PolarHBondContact O-N 2.75Å; H1807-A1810 WeakPolarHBondContact O-CB 3.3Å; H1807-A1810 PolarHBondContact O-N 3.39Å
1808	D	79.5	Confident	74.9	Confident	49 Å²	49	81.6 Å²	81.6	26%	0.262	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-55.6	-26.9	-172.3	-95.6	26.5	0	0	0	112.9	W1774 C1798 V1806 A1810 C1811 K1816	W1774-D1808 HydrophobicContact CH2-CB 3.92Å; W1774-D1808 WeakPolarHBondContact CH2-OD2 3.08Å; W1774-D1808 HydrophobicContact CZ3-CB 4.37Å; W1774-D1808 WeakPolarHBondContact CZ3-OD2 3.33Å; C1798-D1808 PolarHBondContact N-OD1 3.32Å; V1806-D1808 PolarHBondContact O-N 3.06Å; D1808-A1810 PolarHBondContact O-N 3.05Å; D1808-A1810 VanDerWaalsContact O-N 3.12Å; D1808-C1811 PolarHBondContact O-N 3.18Å; D1808-K1816 IonicContact OD2-NZ 2.66Å; D1808-K1816 PolarHBondContact OD2-NZ 2.86Å
1809	T	80.9	Confident	74	Confident	79 Å²	79	85.9 Å²	85.9	49%	0.485	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-56.7	-25.4	174.9	55.6	0	0	0	0	114.3	H1807 C1811 N1812	H1807-T1809 WeakPolarHBondContact ND1-CG2 3.44Å; H1807-T1809 PolarHBondContact ND1-OG1 3.34Å; H1807-T1809 PolarHBondContact O-N 2.75Å; T1809-C1811 VanDerWaalsContact C-N 3.27Å; T1809-C1811 PolarHBondContact O-N 2.66Å; T1809-N1812 WeakPolarHBondContact CA-OD1 3.31Å; T1809-N1812 WeakPolarHBondContact O-CB 3.5Å; T1809-N1812 PolarHBondContact O-N 2.02Å
1810	A	81.1	Confident	73.6	Confident	40 Å²	40	89.3 Å²	89.3	33%	0.331	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-64.7	-35.7	176.1	0	0	0	0	0	111.1	V1772 V1806 H1807 D1808 N1812 H1813	V1772-A1810 HydrophobicContact CB-CB 4.43Å; V1772-A1810 HydrophobicContact CG1-CB 4.24Å; V1772-A1810 VanDerWaalsContact CG2-C 3.47Å; V1772-A1810 HydrophobicContact CG2-CB 3.86Å; V1772-A1810 VanDerWaalsContact CG2-O 3.25Å; V1772-A1810 WeakPolarHBondContact CG2-O 3.27Å; V1806-A1810 HydrophobicContact CG2-CB 4.12Å; H1807-A1810 WeakPolarHBondContact O-CB 3.3Å; H1807-A1810 PolarHBondContact O-N 3.39Å; D1808-A1810 PolarHBondContact O-N 3.05Å; D1808-A1810 VanDerWaalsContact O-N 3.12Å; A1810-N1812 VanDerWaalsContact C-N 3.33Å; A1810-N1812 PolarHBondContact O-N 3.37Å; A1810-H1813 PolarHBondContact O-CE1 2.97Å; A1810-H1813 PolarHBondContact O-ND1 3.13Å
1811	C	82	Confident	72.8	Confident	0 Å²	0	89.7 Å²	89.7	0%	0	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-88.4	10.9	178.3	-66.6	0	0	0	0	113.5	V1772 W1774 C1798 D1808 T1809 H1813 L1814	V1772-C1811 HydrophobicContact CG2-CB 4.46Å; W1774-C1811 HydrophobicContact CD2-CB 3.9Å; W1774-C1811 HydrophobicContact CE3-CB 4.35Å; W1774-C1811 HydrophobicContact CH2-CB 3.94Å; W1774-C1811 HydrophobicContact CZ2-CB 3.43Å; W1774-C1811 VanDerWaalsContact CZ2-CB 3.43Å; W1774-C1811 HydrophobicContact CZ3-CB 4.37Å; C1798-C1811 WeakPolarHBondContact CA-SG 3.2Å; C1798-C1811 HydrophobicContact CB-CB 3.73Å; C1798-C1811 WeakPolarHBondContact CB-SG 3.46Å; C1798-C1811 WeakPolarHBondContact SG-CB 3.25Å; C1798-C1811 PolarHBondContact SG-N 2.95Å; C1798-C1811 CovalentContact SG-SG 2.03Å; C1798-C1811 PolarHBondContact SG-SG 2.86Å; D1808-C1811 PolarHBondContact O-N 3.18Å; T1809-C1811 VanDerWaalsContact C-N 3.27Å; T1809-C1811 PolarHBondContact O-N 2.66Å; C1811-H1813 PolarHBondContact O-N 2.75Å; C1811-L1814 PolarHBondContact O-N 2.77Å; C1811-L1814 VanDerWaalsContact O-O 3.09Å
1812	N	77.8	Confident	72	Confident	124 Å²	124	91.7 Å²	91.7	66%	0.663	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-18.4	179	-81.9	0.2	0	0	0	114.3	T1809 A1810 L1814	T1809-N1812 WeakPolarHBondContact CA-OD1 3.31Å; T1809-N1812 WeakPolarHBondContact O-CB 3.5Å; T1809-N1812 PolarHBondContact O-N 2.02Å; A1810-N1812 VanDerWaalsContact C-N 3.33Å; A1810-N1812 PolarHBondContact O-N 3.37Å; N1812-L1814 VanDerWaalsContact C-N 3.34Å
1813	H	76.2	Confident	71.4	Confident	127 Å²	127	82.9 Å²	82.9	59%	0.588	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-0.6	176.1	66.1	-84.1	0	0	0	113.6	A1810 C1811	A1810-H1813 PolarHBondContact O-CE1 2.97Å; A1810-H1813 PolarHBondContact O-ND1 3.13Å; C1811-H1813 PolarHBondContact O-N 2.75Å
1814	L	71.8	Confident	70.2	Confident	71 Å²	71	82 Å²	82	37%	0.372	43%	0.431	S	S	.	.	S	Bend	trans	-120.6	135.9	177.2	-61.9	179.4	0	0	0	110.2	V1772 W1774 C1811 N1812 K1816	V1772-L1814 WeakPolarHBondContact O-CD1 3.5Å; W1774-L1814 PolarHBondContact NE1-O 3.15Å; C1811-L1814 PolarHBondContact O-N 2.77Å; C1811-L1814 VanDerWaalsContact O-O 3.09Å; N1812-L1814 VanDerWaalsContact C-N 3.34Å; L1814-K1816 PolarHBondContact O-N 3.48Å
1815	E	72.2	Confident	69.1	Low	189 Å²	189	83.5 Å²	83.5	88%	0.883	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-62.5	119.8	176.9	-169.4	171	-150	0	0	110.6	P1817	E1815-P1817 VanDerWaalsContact O-CD 3.31Å; E1815-P1817 WeakPolarHBondContact O-CD 3.13Å
1816	K	77.5	Confident	67.5	Low	84 Å²	84	81.9 Å²	81.9	37%	0.365	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-71.3	117.2	-177	-171	168.7	-173.2	167	0	109.5	W1774 I1796 D1808 L1814	W1774-K1816 HydrophobicContact CD2-CB 4.25Å; W1774-K1816 HydrophobicContact CD2-CD 4.47Å; W1774-K1816 HydrophobicContact CD2-CG 3.89Å; W1774-K1816 HydrophobicContact CE3-CD 4.26Å; W1774-K1816 HydrophobicContact CE3-CG 4.07Å; W1774-K1816 HydrophobicContact CH2-CD 3.57Å; W1774-K1816 HydrophobicContact CH2-CG 4.04Å; W1774-K1816 HydrophobicContact CZ2-CB 3.84Å; W1774-K1816 HydrophobicContact CZ2-CD 3.78Å; W1774-K1816 HydrophobicContact CZ2-CG 3.84Å; W1774-K1816 HydrophobicContact CZ3-CD 3.82Å; W1774-K1816 HydrophobicContact CZ3-CG 4.14Å; I1796-K1816 HydrophobicContact CG2-CG 4.33Å; D1808-K1816 IonicContact OD2-NZ 2.66Å; D1808-K1816 PolarHBondContact OD2-NZ 2.86Å; L1814-K1816 PolarHBondContact O-N 3.48Å
1817	P	68.6	Low	65.6	Low	38 Å²	38	86 Å²	86	25%	0.247	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-62.4	151.1	178	-15.6	27.9	0	0	0	110.3	M1694 W1774 I1796 E1815 N1819	M1694-P1817 HydrophobicContact CE-CB 3.64Å; M1694-P1817 HydrophobicContact CE-CG 4.06Å; W1774-P1817 VanDerWaalsContact CB-CD 3.43Å; W1774-P1817 HydrophobicContact CB-CG 3.97Å; I1796-P1817 HydrophobicContact CD1-CB 3.98Å; I1796-P1817 WeakPolarHBondContact CD1-O 3.06Å; E1815-P1817 VanDerWaalsContact O-CD 3.31Å; E1815-P1817 WeakPolarHBondContact O-CD 3.13Å; P1817-N1819 PolarHBondContact O-N 2.82Å
1818	L	65.3	Low	63.6	Low	101 Å²	101	80 Å²	80	53%	0.529	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-50.9	132.6	-179.6	-65.8	171.2	0	0	0	111.7	R1794 I1796 W1820	R1794-L1818 PolarHBondContact NE-O 2.86Å; R1794-L1818 PolarHBondContact NH2-O 3.14Å; I1796-L1818 WeakPolarHBondContact CD1-O 3.42Å; L1818-W1820 HydrophobicContact CD1-CH2 4.14Å; L1818-W1820 HydrophobicContact CD1-CZ2 3.87Å; L1818-W1820 HydrophobicContact CD2-CZ2 4.23Å; L1818-W1820 PolarHBondContact O-N 2.82Å
1819	N	66.2	Low	62.2	Low	90 Å²	90	79.2 Å²	79.2	48%	0.481	40%	0.403	S	S	.	.	S	Bend	trans	-62.6	7.3	175.1	-59.1	-8	0	0	0	113.6	E1793 R1794 P1817	E1793-N1819 CarbonylContact C-O 3.58Å; E1793-N1819 WeakPolarHBondContact CA-O 3.4Å; R1794-N1819 PolarHBondContact N-O 3.12Å; P1817-N1819 PolarHBondContact O-N 2.82Å
1820	W	66.9	Low	60.9	Low	97 Å²	97	83.8 Å²	83.8	37%	0.367	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	166.3	-178.2	53	-86.4	0	0	0	111.4	K1791 R1792 R1794 L1818 I1822	K1791-W1820 HydrophobicContact CB-CB 4.17Å; K1791-W1820 HydrophobicContact CG-CB 4.44Å; K1791-W1820 HydrophobicContact CG-CD2 4.28Å; K1791-W1820 HydrophobicContact CG-CE3 3.98Å; K1791-W1820 HydrophobicContact CG-CG 4.48Å; R1792-W1820 CarbonylContact O-C 3.56Å; R1792-W1820 WeakPolarHBondContact O-CA 3.3Å; R1792-W1820 WeakPolarHBondContact O-CB 3.26Å; R1794-W1820 PolarHBondContact NH2-O 2.94Å; L1818-W1820 HydrophobicContact CD1-CH2 4.14Å; L1818-W1820 HydrophobicContact CD1-CZ2 3.87Å; L1818-W1820 HydrophobicContact CD2-CZ2 4.23Å; L1818-W1820 PolarHBondContact O-N 2.82Å; W1820-I1822 HydrophobicContact CE3-CG1 4.47Å; W1820-I1822 HydrophobicContact CZ3-CG1 3.79Å
1821	T	57.5	Low	60.2	Low	23 Å²	23	85.3 Å²	85.3	14%	0.141	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.5	160	105.3	0	0	0	0	109.8	K1791 R1792 R1794	K1791-T1821 WeakPolarHBondContact CA-O 3.43Å; R1792-T1821 HydrophobicContact CG-CG2 4.22Å; R1792-T1821 PolarHBondContact N-O 3.48Å; R1792-T1821 PolarHBondContact NE-OG1 2.89Å; R1792-T1821 PolarHBondContact NH2-OG1 3.31Å; R1792-T1821 PolarHBondContact O-N 3.4Å; R1794-T1821 HydrophobicContact CG-CG2 4.16Å; R1794-T1821 VanDerWaalsContact CZ-CG2 3.46Å
1822	I	49.4	Very low	59.6	Low	96 Å²	96	89.2 Å²	89.2	49%	0.492	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	136.2	164.2	-53.9	179.7	0	0	0	108.1	W1820	W1820-I1822 HydrophobicContact CE3-CG1 4.47Å; W1820-I1822 HydrophobicContact CZ3-CG1 3.79Å
1823	C	56.6	Low	59.8	Low	20 Å²	20	84.7 Å²	84.7	14%	0.135	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-99.1	135.8	159	-56.6	0	0	0	0	108.2	C1782 A1790	C1782-C1823 HydrophobicContact CB-CB 3.85Å; C1782-C1823 WeakPolarHBondContact CB-SG 3.36Å; C1782-C1823 WeakPolarHBondContact SG-CB 3.35Å; C1782-C1823 CovalentContact SG-SG 2.04Å; C1782-C1823 PolarHBondContact SG-SG 3.48Å; A1790-C1823 HydrophobicContact CB-CB 4.21Å; A1790-C1823 PolarHBondContact O-N 2.94Å
1824	E	43.7	Very low	59.6	Low	190 Å²	190	83.5 Å²	83.5	89%	0.888	39%	0.393	S	S	*	.	S	Bend	trans	-78.3	129.9	166.5	-67.2	-177.6	151.2	0	0	107.7
1825	S	43.9	Very low	59.6	Low	65 Å²	65	82.3 Å²	82.3	46%	0.455	39%	0.389	S	S	.	.			trans	77.5	145.9	-155.5	75.3	0	0	0	0	113.4	A1790	A1790-S1825 WeakPolarHBondContact CB-O 3.27Å
1826	F	39.8	Very low	59.1	Low	63 Å²	63	74.9 Å²	74.9	28%	0.276	36%	0.363	S	S	.	.			cis	-119.7	155.1	14.7	-84.3	-133.3	0	0	0	112.1	D816 N817 I1784 C1828	D816-F1826 HydrophobicContact CB-CB 3.72Å; D816-F1826 HydrophobicContact CB-CD1 3.51Å; D816-F1826 HydrophobicContact CB-CE1 4.29Å; D816-F1826 HydrophobicContact CB-CG 3.81Å; D816-F1826 WeakPolarHBondContact O-CD1 3.41Å; D816-F1826 WeakPolarHBondContact O-CE1 3.29Å; D816-F1826 VanDerWaalsContact O-CZ 3.27Å; D816-F1826 WeakPolarHBondContact O-CZ 3.22Å; D816-F1826 WeakPolarHBondContact OD2-CD1 3.44Å; N817-F1826 HydrophobicContact CB-CZ 4.49Å; I1784-F1826 HydrophobicContact CD1-CB 3.84Å; I1784-F1826 HydrophobicContact CD1-CD1 4.4Å; I1784-F1826 HydrophobicContact CD1-CD2 3.54Å; I1784-F1826 HydrophobicContact CD1-CE2 4.3Å; I1784-F1826 HydrophobicContact CD1-CG 3.68Å; I1784-F1826 HydrophobicContact CG1-CB 4.35Å; I1784-F1826 HydrophobicContact CG2-CB 4.42Å; F1826-C1828 PolarHBondContact O-N 2.03Å
1827	K	38.4	Very low	58.6	Low	114 Å²	114	74.9 Å²	74.9	50%	0.496	37%	0.374	S	S	.	.			trans	-84.1	86.7	165.9	-90.7	-167	167.6	-158.2	0	110	G814 D816	G814-K1827 VanDerWaalsContact O-CD 3.25Å; G814-K1827 WeakPolarHBondContact O-CD 3.27Å; D816-K1827 HydrophobicContact CB-CB 4.27Å; D816-K1827 VanDerWaalsContact CB-N 3.31Å
1828	C	41.5	Very low	58.8	Low	20 Å²	20	76.8 Å²	76.8	14%	0.135	38%	0.376	C	S	.	.			trans	-67.9	166.8	176.7	-30	0	0	0	0	111.3	G1786 C1787 F1826	G1786-C1828 PolarHBondContact O-SG 2.95Å; C1787-C1828 HydrophobicContact CB-CB 4.29Å; F1826-C1828 PolarHBondContact O-N 2.03Å
1829	K	49.1	Very low	58.6	Low	33 Å²	33	74 Å²	74	14%	0.143	37%	0.365	C	S	.	.			trans	-116.8	117.5	-166.6	-68.4	175.7	179.1	-138.2	0	112.3	C1787 F1831 D1858 D1859 Y1864	C1787-K1829 PolarHBondContact SG-N 3.31Å; C1787-K1829 VanDerWaalsContact SG-N 3.37Å; K1829-F1831 HydrophobicContact CB-CZ 4.5Å; K1829-D1858 HydrophobicContact CB-CB 3.72Å; K1829-D1858 HydrophobicContact CD-CB 3.83Å; K1829-D1858 VanDerWaalsContact CD-OD2 3.24Å; K1829-D1858 WeakPolarHBondContact CD-OD2 3.26Å; K1829-D1858 WeakPolarHBondContact CE-OD2 3.03Å; K1829-D1858 HydrophobicContact CG-CB 3.8Å; K1829-D1858 IonicContact NZ-OD2 3.19Å; K1829-D1858 PolarHBondContact NZ-OD2 2.52Å; K1829-D1859 WeakPolarHBondContact CA-OD2 3.28Å; K1829-Y1864 HydrophobicContact CD-CE2 4.4Å; K1829-Y1864 PolarHBondContact NZ-OH 2.87Å
1830	R	53.2	Low	58.4	Low	175 Å²	175	77 Å²	77	66%	0.66	38%	0.376	S	S	*	.			trans	-77.2	126.9	165.6	-64.4	-177.3	157.8	172.7	-4.8	108.5	C1787 E1832 D1858 D1859	C1787-R1830 HydrophobicContact CB-CG 4.09Å; C1787-R1830 VanDerWaalsContact SG-CG 3.52Å; C1787-R1830 PolarHBondContact SG-N 2.9Å; R1830-E1832 PolarHBondContact O-N 3.14Å; R1830-D1858 CarbonylContact O-C 3.29Å; R1830-D1858 VanDerWaalsContact O-CA 3.27Å; R1830-D1858 WeakPolarHBondContact O-CA 3.31Å; R1830-D1859 WeakPolarHBondContact CB-OD1 3.41Å; R1830-D1859 PolarHBondContact N-OD2 2.89Å; R1830-D1859 PolarHBondContact O-N 3.09Å
1831	F	66.1	Low	58.1	Low	71 Å²	71	73.7 Å²	73.7	31%	0.311	37%	0.368	S	S	.	.			trans	-84.6	100.5	171.3	-63.2	-65.3	0	0	0	109.4	K1829 V1857 Y1864 L1868 C1869	K1829-F1831 HydrophobicContact CB-CZ 4.5Å; F1831-V1857 CarbonylContact C-O 3.43Å; F1831-V1857 VanDerWaalsContact CA-O 3.29Å; F1831-V1857 WeakPolarHBondContact CA-O 3.02Å; F1831-Y1864 HydrophobicContact CD1-CD2 4.18Å; F1831-Y1864 HydrophobicContact CD1-CG 4.16Å; F1831-Y1864 AromaticContact CE1-CD1 3.85Å; F1831-Y1864 HydrophobicContact CE1-CD1 3.85Å; F1831-Y1864 AromaticContact CE1-CD2 3.66Å; F1831-Y1864 HydrophobicContact CE1-CD2 3.66Å; F1831-Y1864 HydrophobicContact CE1-CE1 4.11Å; F1831-Y1864 AromaticContact CE1-CE2 3.94Å; F1831-Y1864 HydrophobicContact CE1-CE2 3.94Å; F1831-Y1864 AromaticContact CE1-CG 3.62Å; F1831-Y1864 HydrophobicContact CE1-CG 3.62Å; F1831-Y1864 HydrophobicContact CZ-CD1 4.47Å; F1831-Y1864 HydrophobicContact CZ-CE1 4.49Å; F1831-L1868 HydrophobicContact CB-CB 4.48Å; F1831-L1868 WeakPolarHBondContact CB-O 3.49Å; F1831-L1868 HydrophobicContact CD1-CB 4.12Å; F1831-L1868 HydrophobicContact CD2-CB 4.16Å; F1831-L1868 HydrophobicContact CE1-CB 4.44Å; F1831-L1868 HydrophobicContact CE1-CD1 4.27Å; F1831-L1868 HydrophobicContact CE2-CB 4.48Å; F1831-L1868 HydrophobicContact CE2-CD2 4.29Å; F1831-L1868 HydrophobicContact CG-CB 3.98Å; F1831-L1868 HydrophobicContact CZ-CD1 4.31Å; F1831-C1869 VanDerWaalsContact C-SG 3.55Å
1832	E	69.5	Low	58.1	Low	83 Å²	83	76.1 Å²	76.1	39%	0.388	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	146.3	176.2	63.2	174.5	-178.7	0	0	111.2	R1830 R1834 V1857	R1830-E1832 PolarHBondContact O-N 3.14Å; E1832-R1834 VanDerWaalsContact C-N 3.32Å; E1832-R1834 HydrophobicContact CG-CG 4.2Å; E1832-R1834 PolarHBondContact O-N 3.23Å; E1832-R1834 IonicContact OE1-CZ 3.23Å; E1832-R1834 IonicContact OE1-NE 2.91Å; E1832-R1834 PolarHBondContact OE1-NE 2.86Å; E1832-R1834 IonicContact OE1-NH2 2.71Å; E1832-R1834 PolarHBondContact OE1-NH2 2.75Å; E1832-V1857 HydrophobicContact CG-CG2 3.94Å; E1832-V1857 PolarHBondContact N-O 3.28Å; E1832-V1857 PolarHBondContact O-N 3.31Å
1833	W	83	Confident	58.2	Low	28 Å²	28	73.6 Å²	73.6	11%	0.106	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	81.7	171.8	-71.5	111.5	0	0	0	110.2	T1835 V1854 K1855 C1856 E1866 C1869 P1870 L1873 K1874 P1875	W1833-T1835 PolarHBondContact O-N 2.92Å; W1833-T1835 VanDerWaalsContact O-N 3.11Å; W1833-V1854 HydrophobicContact CD2-CG1 4.32Å; W1833-V1854 HydrophobicContact CE3-CG1 3.62Å; W1833-V1854 HydrophobicContact CZ3-CG1 4.1Å; W1833-K1855 CarbonylContact C-O 3.47Å; W1833-K1855 WeakPolarHBondContact CA-O 2.99Å; W1833-C1856 HydrophobicContact CE3-CB 4.26Å; W1833-C1856 HydrophobicContact CZ3-CB 4.12Å; W1833-E1866 HydrophobicContact CH2-CB 3.91Å; W1833-E1866 HydrophobicContact CH2-CG 4.08Å; W1833-E1866 HydrophobicContact CZ3-CB 4.48Å; W1833-E1866 HydrophobicContact CZ3-CG 4.22Å; W1833-C1869 HydrophobicContact CD2-CB 3.62Å; W1833-C1869 HydrophobicContact CE3-CB 4.2Å; W1833-C1869 HydrophobicContact CG-CB 4.03Å; W1833-C1869 HydrophobicContact CH2-CB 4.17Å; W1833-C1869 HydrophobicContact CZ2-CB 3.58Å; W1833-C1869 HydrophobicContact CZ3-CB 4.45Å; W1833-P1870 PolarHBondContact NE1-O 2.87Å; W1833-L1873 VanDerWaalsContact CD1-C 3.45Å; W1833-L1873 VanDerWaalsContact CD1-O 3.31Å; W1833-K1874 HydrophobicContact CD2-CB 4.22Å; W1833-K1874 HydrophobicContact CD2-CG 4.04Å; W1833-K1874 HydrophobicContact CE3-CG 4.09Å; W1833-K1874 HydrophobicContact CH2-CB 4.27Å; W1833-K1874 HydrophobicContact CH2-CD 3.59Å; W1833-K1874 HydrophobicContact CH2-CG 3.73Å; W1833-K1874 HydrophobicContact CZ2-CB 3.67Å; W1833-K1874 HydrophobicContact CZ2-CD 3.85Å; W1833-K1874 HydrophobicContact CZ2-CG 3.67Å; W1833-K1874 HydrophobicContact CZ3-CD 4.05Å; W1833-K1874 HydrophobicContact CZ3-CG 3.94Å; W1833-P1875 HydrophobicContact CB-CG 3.84Å
1834	R	71.9	Confident	57.9	Low	103 Å²	103	75.3 Å²	75.3	39%	0.389	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	114.9	167.3	-80.5	-168	-157.6	153.7	15.2	109.2	E1832 K1855 V1857 D1858 D1859 G1861	E1832-R1834 VanDerWaalsContact C-N 3.32Å; E1832-R1834 HydrophobicContact CG-CG 4.2Å; E1832-R1834 PolarHBondContact O-N 3.23Å; E1832-R1834 IonicContact OE1-CZ 3.23Å; E1832-R1834 IonicContact OE1-NE 2.91Å; E1832-R1834 PolarHBondContact OE1-NE 2.86Å; E1832-R1834 IonicContact OE1-NH2 2.71Å; E1832-R1834 PolarHBondContact OE1-NH2 2.75Å; R1834-K1855 PolarHBondContact N-O 2.96Å; R1834-K1855 PolarHBondContact O-N 3.13Å; R1834-V1857 HydrophobicContact CB-CG1 4.15Å; R1834-V1857 HydrophobicContact CB-CG2 3.55Å; R1834-V1857 HydrophobicContact CG-CG2 3.4Å; R1834-V1857 VanDerWaalsContact CG-CG2 3.4Å; R1834-D1858 PolarHBondContact NH2-O 2.77Å; R1834-D1859 PolarHBondContact NH2-O 3.2Å; R1834-G1861 VanDerWaalsContact NH1-CA 3.26Å
1835	T	71.5	Confident	58.1	Low	46 Å²	46	68.5 Å²	68.5	28%	0.282	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.4	165	82.2	0	0	0	0	107.4	W1833 R1852 Q1853 V1854 P1875	W1833-T1835 PolarHBondContact O-N 2.92Å; W1833-T1835 VanDerWaalsContact O-N 3.11Å; T1835-R1852 PolarHBondContact OG1-NH1 3.28Å; T1835-Q1853 CarbonylContact C-O 3.49Å; T1835-Q1853 VanDerWaalsContact CA-O 3.28Å; T1835-Q1853 WeakPolarHBondContact CA-O 3.38Å; T1835-V1854 HydrophobicContact CG2-CG2 4.18Å; T1835-P1875 HydrophobicContact CG2-CB 3.51Å; T1835-P1875 HydrophobicContact CG2-CG 3.55Å
1836	G	62.6	Low	58.3	Low	33 Å²	33	68.7 Å²	68.7	34%	0.34	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	173.8	167	0	0	0	0	0	110.7	W1838 Q1853	G1836-W1838 PolarHBondContact O-N 2.96Å; G1836-Q1853 PolarHBondContact N-O 3.03Å
1837	S	67	Low	58.9	Low	84 Å²	84	69.7 Å²	69.7	59%	0.587	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-47.6	137.7	172.9	-62.8	0	0	0	0	110.6	Q303 S1839	Q303-S1837 PolarHBondContact NE2-OG 3.31Å; S1837-S1839 PolarHBondContact O-N 2.76Å
1838	W	72.1	Confident	60	Low	77 Å²	77	69.7 Å²	69.7	29%	0.292	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	135.6	156.7	-70.6	110.8	0	0	0	107.9	G1836 K1850 R1852	G1836-W1838 PolarHBondContact O-N 2.96Å; W1838-K1850 HydrophobicContact CB-CB 4.39Å; W1838-K1850 HydrophobicContact CB-CD 3.94Å; W1838-K1850 HydrophobicContact CD2-CB 4.4Å; W1838-K1850 HydrophobicContact CD2-CD 3.56Å; W1838-K1850 HydrophobicContact CD2-CG 3.87Å; W1838-K1850 HydrophobicContact CE3-CB 3.9Å; W1838-K1850 HydrophobicContact CE3-CD 3.84Å; W1838-K1850 HydrophobicContact CE3-CG 3.57Å; W1838-K1850 HydrophobicContact CG-CD 3.64Å; W1838-K1850 HydrophobicContact CG-CG 4.34Å; W1838-K1850 HydrophobicContact CZ3-CG 4.07Å; W1838-K1850 WeakPolarHBondContact CZ3-O 3.3Å; W1838-R1852 HydrophobicContact CD2-CB 4.21Å; W1838-R1852 HydrophobicContact CD2-CG 4.27Å; W1838-R1852 HydrophobicContact CE3-CB 3.79Å; W1838-R1852 HydrophobicContact CE3-CG 3.81Å; W1838-R1852 HydrophobicContact CH2-CG 4.11Å; W1838-R1852 VanDerWaalsContact CH2-NE 3.3Å; W1838-R1852 VanDerWaalsContact CZ2-NE 3.34Å; W1838-R1852 HydrophobicContact CZ3-CB 4.17Å; W1838-R1852 HydrophobicContact CZ3-CG 3.71Å
1839	S	59.7	Low	61.2	Low	44 Å²	44	73.4 Å²	73.4	31%	0.308	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-48.1	149.3	163.8	67.5	0	0	0	0	108.2	S1837 C1841 Y1851	S1837-S1839 PolarHBondContact O-N 2.76Å; S1839-C1841 PolarHBondContact O-N 3.27Å; S1839-C1841 VanDerWaalsContact O-N 3.13Å; S1839-Y1851 VanDerWaalsContact CB-O 3.32Å; S1839-Y1851 WeakPolarHBondContact CB-O 3.02Å; S1839-Y1851 PolarHBondContact N-O 2.99Å; S1839-Y1851 PolarHBondContact OG-N 2.88Å; S1839-Y1851 PolarHBondContact OG-O 2.85Å
1840	Q	62	Low	62.2	Low	152 Å²	152	73.3 Å²	73.3	71%	0.71	38%	0.38	S	S	*	.			trans	-44.5	129.3	163.8	-68.5	-68.9	8	0	0	108	P1842	Q1840-P1842 WeakPolarHBondContact O-CD 3.46Å
1841	C	60.7	Low	63.3	Low	27 Å²	27	71.4 Å²	71.4	18%	0.182	37%	0.374	C	S	.	.			trans	-58.2	122.3	165.7	-79.1	0	0	0	0	105.6	S1839 D1843 C1881	S1839-C1841 PolarHBondContact O-N 3.27Å; S1839-C1841 VanDerWaalsContact O-N 3.13Å; C1841-D1843 WeakPolarHBondContact CB-O 3.42Å; C1841-D1843 CarbonylContact O-C 3.59Å; C1841-D1843 PolarHBondContact O-N 2.95Å; C1841-C1881 VanDerWaalsContact CA-SG 3.51Å; C1841-C1881 HydrophobicContact CB-CB 3.97Å; C1841-C1881 WeakPolarHBondContact CB-SG 3.45Å; C1841-C1881 WeakPolarHBondContact SG-CB 3.32Å; C1841-C1881 CovalentContact SG-SG 2.03Å; C1841-C1881 PolarHBondContact SG-SG 2.03Å
1842	P	59	Low	63.7	Low	74 Å²	74	70.3 Å²	70.3	48%	0.481	37%	0.368	S	S	.	.	S	Bend	trans	-56.3	-24.2	-168.6	-28	34.4	0	0	0	113.5	Q1840 R1848	Q1840-P1842 WeakPolarHBondContact O-CD 3.46Å; P1842-R1848 HydrophobicContact CG-CB 4.36Å
1843	D	50.4	Low	63.9	Low	44 Å²	44	72.6 Å²	72.6	24%	0.235	38%	0.378	C	S	.	.	S	Bend	trans	-134.2	143.9	160.5	-47.1	-98.8	0	0	0	107.1	C1841 V1846 R1848	C1841-D1843 WeakPolarHBondContact CB-O 3.42Å; C1841-D1843 CarbonylContact O-C 3.59Å; C1841-D1843 PolarHBondContact O-N 2.95Å; D1843-V1846 HydrophobicContact CB-CB 4.03Å; D1843-V1846 HydrophobicContact CB-CG2 3.81Å; D1843-R1848 WeakPolarHBondContact OD2-CD 3.34Å; D1843-R1848 IonicContact OD2-CZ 2.67Å; D1843-R1848 IonicContact OD2-NE 2.72Å; D1843-R1848 PolarHBondContact OD2-NE 3.15Å; D1843-R1848 IonicContact OD2-NH1 2.77Å; D1843-R1848 PolarHBondContact OD2-NH1 2.59Å; D1843-R1848 IonicContact OD2-NH2 3.8Å
1844	T	50.4	Low	63.9	Low	56 Å²	56	72.1 Å²	72.1	34%	0.344	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-27.3	177.8	58.3	0	0	0	0	112.4	Q1913	T1844-Q1913 WeakPolarHBondContact OG1-CB 3.18Å; T1844-Q1913 PolarHBondContact OG1-O 3.35Å
1845	C	47.8	Very low	64.3	Low	47 Å²	47	70.2 Å²	70.2	32%	0.318	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	4.7	-175.7	-64.2	0	0	0	0	114.6	Q1913	C1845-Q1913 HydrophobicContact CB-CG 4.25Å
1846	V	48.9	Very low	64.8	Low	68 Å²	68	68.1 Å²	68.1	41%	0.412	36%	0.36	S	S	.	.	S	Bend	trans	-129.5	137.1	-173.1	-170.4	0	0	0	0	111.5	D1843 R1848	D1843-V1846 HydrophobicContact CB-CB 4.03Å; D1843-V1846 HydrophobicContact CB-CG2 3.81Å; V1846-R1848 HydrophobicContact CB-CG 4.46Å; V1846-R1848 HydrophobicContact CG1-CG 4.13Å; V1846-R1848 PolarHBondContact O-N 3.47Å
1847	S	52.9	Low	65.4	Low	84 Å²	84	66.8 Å²	66.8	59%	0.587	35%	0.345	S	S	*	.			trans	-70.5	67.8	176.5	-57.4	0	0	0	0	112.9
1848	R	60.8	Low	65.4	Low	114 Å²	114	62.8 Å²	62.8	43%	0.43	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-91	170.7	175	-77.6	-174.1	165.7	-177.8	-9.5	112.4	P1842 D1843 V1846 C1881	P1842-R1848 HydrophobicContact CG-CB 4.36Å; D1843-R1848 WeakPolarHBondContact OD2-CD 3.34Å; D1843-R1848 IonicContact OD2-CZ 2.67Å; D1843-R1848 IonicContact OD2-NE 2.72Å; D1843-R1848 PolarHBondContact OD2-NE 3.15Å; D1843-R1848 IonicContact OD2-NH1 2.77Å; D1843-R1848 PolarHBondContact OD2-NH1 2.59Å; D1843-R1848 IonicContact OD2-NH2 3.8Å; V1846-R1848 HydrophobicContact CB-CG 4.46Å; V1846-R1848 HydrophobicContact CG1-CG 4.13Å; V1846-R1848 PolarHBondContact O-N 3.47Å; R1848-C1881 VanDerWaalsContact O-CB 3.3Å; R1848-C1881 WeakPolarHBondContact O-CB 3.19Å; R1848-C1881 PolarHBondContact O-N 2.77Å; R1848-C1881 PolarHBondContact O-SG 2.94Å; R1848-C1881 VanDerWaalsContact O-SG 3.35Å
1849	M	67.1	Low	64.6	Low	99 Å²	99	62.1 Å²	62.1	49%	0.488	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128.6	169	-70.3	-72.2	178.7	0	0	110	Y1851	M1849-Y1851 HydrophobicContact CB-CE1 4.43Å; M1849-Y1851 HydrophobicContact CB-CE2 4.12Å
1850	K	68.6	Low	64.3	Low	30 Å²	30	62 Å²	62	13%	0.13	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	142	161.2	49.3	178.8	-168.8	171.2	0	109.6	W1838 G1879 V1880	W1838-K1850 HydrophobicContact CB-CB 4.39Å; W1838-K1850 HydrophobicContact CB-CD 3.94Å; W1838-K1850 HydrophobicContact CD2-CB 4.4Å; W1838-K1850 HydrophobicContact CD2-CD 3.56Å; W1838-K1850 HydrophobicContact CD2-CG 3.87Å; W1838-K1850 HydrophobicContact CE3-CB 3.9Å; W1838-K1850 HydrophobicContact CE3-CD 3.84Å; W1838-K1850 HydrophobicContact CE3-CG 3.57Å; W1838-K1850 HydrophobicContact CG-CD 3.64Å; W1838-K1850 HydrophobicContact CG-CG 4.34Å; W1838-K1850 HydrophobicContact CZ3-CG 4.07Å; W1838-K1850 WeakPolarHBondContact CZ3-O 3.3Å; K1850-G1879 VanDerWaalsContact CG-O 3.22Å; K1850-G1879 WeakPolarHBondContact CG-O 3.15Å; K1850-G1879 PolarHBondContact N-O 3.17Å; K1850-G1879 PolarHBondContact O-N 2.83Å; K1850-V1880 VanDerWaalsContact CE-O 3.26Å; K1850-V1880 WeakPolarHBondContact CE-O 3.36Å
1851	Y	78.3	Confident	64.2	Low	135 Å²	135	56.4 Å²	56.4	53%	0.529	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.5	-178.1	-56	-84.4	0	0	0	109.1	S1839 M1849 N1877 R1878	S1839-Y1851 VanDerWaalsContact CB-O 3.32Å; S1839-Y1851 WeakPolarHBondContact CB-O 3.02Å; S1839-Y1851 PolarHBondContact N-O 2.99Å; S1839-Y1851 PolarHBondContact OG-N 2.88Å; S1839-Y1851 PolarHBondContact OG-O 2.85Å; M1849-Y1851 HydrophobicContact CB-CE1 4.43Å; M1849-Y1851 HydrophobicContact CB-CE2 4.12Å; Y1851-N1877 CarbonylContact C-O 3.56Å; Y1851-N1877 WeakPolarHBondContact CA-O 3.36Å; Y1851-R1878 HydrophobicContact CD1-CG 4.26Å; Y1851-R1878 HydrophobicContact CE1-CG 4.33Å
1852	R	73.5	Confident	64.2	Low	48 Å²	48	58.4 Å²	58.4	18%	0.181	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.2	170.3	64.9	-167.4	173.6	170.2	-17.9	110.5	T1835 W1838 V1854 S1876 N1877	T1835-R1852 PolarHBondContact OG1-NH1 3.28Å; W1838-R1852 HydrophobicContact CD2-CB 4.21Å; W1838-R1852 HydrophobicContact CD2-CG 4.27Å; W1838-R1852 HydrophobicContact CE3-CB 3.79Å; W1838-R1852 HydrophobicContact CE3-CG 3.81Å; W1838-R1852 HydrophobicContact CH2-CG 4.11Å; W1838-R1852 VanDerWaalsContact CH2-NE 3.3Å; W1838-R1852 VanDerWaalsContact CZ2-NE 3.34Å; W1838-R1852 HydrophobicContact CZ3-CB 4.17Å; W1838-R1852 HydrophobicContact CZ3-CG 3.71Å; R1852-V1854 HydrophobicContact CG-CG2 3.93Å; R1852-V1854 PolarHBondContact O-N 2.79Å; R1852-S1876 PolarHBondContact NE-O 2.8Å; R1852-S1876 PolarHBondContact NH2-O 3.37Å; R1852-N1877 PolarHBondContact N-O 2.86Å
1853	Q	73.8	Confident	64.7	Low	131 Å²	131	60.5 Å²	60.5	61%	0.612	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	131.4	164.4	-68.3	-175.8	-11.6	0	0	107.9	T1835 G1836 K1855	T1835-Q1853 CarbonylContact C-O 3.49Å; T1835-Q1853 VanDerWaalsContact CA-O 3.28Å; T1835-Q1853 WeakPolarHBondContact CA-O 3.38Å; G1836-Q1853 PolarHBondContact N-O 3.03Å; Q1853-K1855 HydrophobicContact CB-CG 4.42Å
1854	V	82.6	Confident	65.7	Low	18 Å²	18	62 Å²	62	11%	0.109	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	95.2	177.2	174.9	0	0	0	0	106.1	W1833 T1835 R1852 K1874 N1877	W1833-V1854 HydrophobicContact CD2-CG1 4.32Å; W1833-V1854 HydrophobicContact CE3-CG1 3.62Å; W1833-V1854 HydrophobicContact CZ3-CG1 4.1Å; T1835-V1854 HydrophobicContact CG2-CG2 4.18Å; R1852-V1854 HydrophobicContact CG-CG2 3.93Å; R1852-V1854 PolarHBondContact O-N 2.79Å; V1854-K1874 HydrophobicContact CG1-CG 3.95Å; V1854-N1877 HydrophobicContact CB-CB 4.47Å; V1854-N1877 HydrophobicContact CG2-CB 3.82Å
1855	K	79.6	Confident	66.9	Low	63 Å²	63	62.5 Å²	62.5	27%	0.274	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.9	-174.7	-61.6	-171.6	165.2	-159.4	0	109	W1833 R1834 Q1853 V1857 E1863	W1833-K1855 CarbonylContact C-O 3.47Å; W1833-K1855 WeakPolarHBondContact CA-O 2.99Å; R1834-K1855 PolarHBondContact N-O 2.96Å; R1834-K1855 PolarHBondContact O-N 3.13Å; Q1853-K1855 HydrophobicContact CB-CG 4.42Å; K1855-V1857 HydrophobicContact CB-CG1 3.68Å; K1855-E1863 HydrophobicContact CB-CG 4.38Å; K1855-E1863 VanDerWaalsContact CD-CD 3.42Å; K1855-E1863 HydrophobicContact CD-CG 4.15Å; K1855-E1863 WeakPolarHBondContact CD-OE1 3.42Å; K1855-E1863 VanDerWaalsContact CE-CD 3.46Å; K1855-E1863 WeakPolarHBondContact CE-OE1 2.97Å; K1855-E1863 VanDerWaalsContact CE-OE2 3.31Å; K1855-E1863 WeakPolarHBondContact CE-OE2 3.32Å; K1855-E1863 HydrophobicContact CG-CG 4.47Å; K1855-E1863 VanDerWaalsContact CG-OE1 3.3Å; K1855-E1863 WeakPolarHBondContact CG-OE1 3.47Å; K1855-E1863 IonicContact NZ-OE1 2.64Å; K1855-E1863 PolarHBondContact NZ-OE1 3.24Å; K1855-E1863 IonicContact NZ-OE2 3.11Å; K1855-E1863 PolarHBondContact NZ-OE2 2.75Å
1856	C	83.7	Confident	68.2	Low	2 Å²	2	65.3 Å²	65.3	1%	0.014	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	124.8	158.7	-176.1	0	0	0	0	107.3	W1833 Y1864 C1869	W1833-C1856 HydrophobicContact CE3-CB 4.26Å; W1833-C1856 HydrophobicContact CZ3-CB 4.12Å; C1856-Y1864 PolarHBondContact O-N 3.26Å; C1856-C1869 WeakPolarHBondContact CA-SG 3.32Å; C1856-C1869 HydrophobicContact CB-CB 3.72Å; C1856-C1869 WeakPolarHBondContact CB-SG 3.39Å; C1856-C1869 WeakPolarHBondContact SG-CB 3.07Å; C1856-C1869 PolarHBondContact SG-N 2.73Å; C1856-C1869 CovalentContact SG-SG 2.03Å; C1856-C1869 PolarHBondContact SG-SG 3.11Å
1857	V	74.7	Confident	69.1	Low	5 Å²	5	68 Å²	68	3%	0.03	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	162.7	-179.3	-50.8	0	0	0	0	112.1	F1831 E1832 R1834 K1855 N1862	F1831-V1857 CarbonylContact C-O 3.43Å; F1831-V1857 VanDerWaalsContact CA-O 3.29Å; F1831-V1857 WeakPolarHBondContact CA-O 3.02Å; E1832-V1857 HydrophobicContact CG-CG2 3.94Å; E1832-V1857 PolarHBondContact N-O 3.28Å; E1832-V1857 PolarHBondContact O-N 3.31Å; R1834-V1857 HydrophobicContact CB-CG1 4.15Å; R1834-V1857 HydrophobicContact CB-CG2 3.55Å; R1834-V1857 HydrophobicContact CG-CG2 3.4Å; R1834-V1857 VanDerWaalsContact CG-CG2 3.4Å; K1855-V1857 HydrophobicContact CB-CG1 3.68Å; V1857-N1862 CarbonylContact C-O 3.58Å; V1857-N1862 WeakPolarHBondContact CA-O 3.15Å; V1857-N1862 VanDerWaalsContact CB-O 3.27Å; V1857-N1862 WeakPolarHBondContact CB-O 3.45Å
1858	D	66	Low	69.9	Low	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.336	C	S	.	.			trans	-86.4	174	169.8	66.8	10	0	0	0	114.2	K1829 R1830 R1834 L1860 G1861 N1862 Y1864	K1829-D1858 HydrophobicContact CB-CB 3.72Å; K1829-D1858 HydrophobicContact CD-CB 3.83Å; K1829-D1858 VanDerWaalsContact CD-OD2 3.24Å; K1829-D1858 WeakPolarHBondContact CD-OD2 3.26Å; K1829-D1858 WeakPolarHBondContact CE-OD2 3.03Å; K1829-D1858 HydrophobicContact CG-CB 3.8Å; K1829-D1858 IonicContact NZ-OD2 3.19Å; K1829-D1858 PolarHBondContact NZ-OD2 2.52Å; R1830-D1858 CarbonylContact O-C 3.29Å; R1830-D1858 VanDerWaalsContact O-CA 3.27Å; R1830-D1858 WeakPolarHBondContact O-CA 3.31Å; R1834-D1858 PolarHBondContact NH2-O 2.77Å; D1858-L1860 PolarHBondContact O-N 2.85Å; D1858-L1860 VanDerWaalsContact OD1-CA 3.28Å; D1858-L1860 WeakPolarHBondContact OD1-CA 3.45Å; D1858-L1860 VanDerWaalsContact OD1-CB 3.31Å; D1858-L1860 WeakPolarHBondContact OD1-CB 3.43Å; D1858-L1860 PolarHBondContact OD1-N 3.04Å; D1858-G1861 PolarHBondContact O-N 2.75Å; D1858-G1861 PolarHBondContact OD1-N 3.27Å; D1858-N1862 PolarHBondContact N-O 3.38Å; D1858-N1862 PolarHBondContact OD1-N 3.01Å; D1858-N1862 PolarHBondContact OD1-ND2 2.79Å; D1858-N1862 VanDerWaalsContact OD1-ND2 3.12Å; D1858-N1862 PolarHBondContact OD2-ND2 3.41Å; D1858-Y1864 HydrophobicContact CB-CD2 4.24Å; D1858-Y1864 HydrophobicContact CB-CE2 3.88Å
1859	D	56.9	Low	70.7	Confident	64 Å²	64	62.6 Å²	62.6	34%	0.342	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-23	170.5	-68	-54.3	0	0	0	113.7	K1829 R1830 R1834	K1829-D1859 WeakPolarHBondContact CA-OD2 3.28Å; R1830-D1859 WeakPolarHBondContact CB-OD1 3.41Å; R1830-D1859 PolarHBondContact N-OD2 2.89Å; R1830-D1859 PolarHBondContact O-N 3.09Å; R1834-D1859 PolarHBondContact NH2-O 3.2Å
1860	L	52.9	Low	70.7	Confident	41 Å²	41	60.7 Å²	60.7	22%	0.215	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-1.7	-175.6	-53.2	163.9	0	0	0	112.3	L805 V812 C813 D1858 N1862	L805-L1860 HydrophobicContact CD1-CD2 4.28Å; V812-L1860 HydrophobicContact CG1-CD1 4.36Å; C813-L1860 WeakPolarHBondContact O-CD1 3.49Å; C813-L1860 WeakPolarHBondContact O-CD2 3.36Å; D1858-L1860 PolarHBondContact O-N 2.85Å; D1858-L1860 VanDerWaalsContact OD1-CA 3.28Å; D1858-L1860 WeakPolarHBondContact OD1-CA 3.45Å; D1858-L1860 VanDerWaalsContact OD1-CB 3.31Å; D1858-L1860 WeakPolarHBondContact OD1-CB 3.43Å; D1858-L1860 PolarHBondContact OD1-N 3.04Å; L1860-N1862 WeakPolarHBondContact CB-ND2 3.32Å
1861	G	59.7	Low	70.7	Confident	35 Å²	35	63.2 Å²	63.2	36%	0.361	34%	0.339	S	S	.	.			trans	82.9	4.6	-179.8	0	0	0	0	0	116.3	R1834 D1858	R1834-G1861 VanDerWaalsContact NH1-CA 3.26Å; D1858-G1861 PolarHBondContact O-N 2.75Å; D1858-G1861 PolarHBondContact OD1-N 3.27Å
1862	N	61.3	Low	69.9	Low	68 Å²	68	63.5 Å²	63.5	36%	0.364	35%	0.35	S	S	.	.			trans	-71.2	137.9	175.4	-54.3	-82	0	0	0	110.3	V1857 D1858 L1860 Y1864	V1857-N1862 CarbonylContact C-O 3.58Å; V1857-N1862 WeakPolarHBondContact CA-O 3.15Å; V1857-N1862 VanDerWaalsContact CB-O 3.27Å; V1857-N1862 WeakPolarHBondContact CB-O 3.45Å; D1858-N1862 PolarHBondContact N-O 3.38Å; D1858-N1862 PolarHBondContact OD1-N 3.01Å; D1858-N1862 PolarHBondContact OD1-ND2 2.79Å; D1858-N1862 VanDerWaalsContact OD1-ND2 3.12Å; D1858-N1862 PolarHBondContact OD2-ND2 3.41Å; L1860-N1862 WeakPolarHBondContact CB-ND2 3.32Å; N1862-Y1864 HydrophobicContact CB-CE2 4.03Å; N1862-Y1864 WeakPolarHBondContact O-CD2 3.47Å
1863	E	68.4	Low	69.5	Low	118 Å²	118	66.6 Å²	66.6	55%	0.551	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	139.2	179.4	-174.6	165.9	-156.6	0	0	112.5	K1855	K1855-E1863 HydrophobicContact CB-CG 4.38Å; K1855-E1863 VanDerWaalsContact CD-CD 3.42Å; K1855-E1863 HydrophobicContact CD-CG 4.15Å; K1855-E1863 WeakPolarHBondContact CD-OE1 3.42Å; K1855-E1863 VanDerWaalsContact CE-CD 3.46Å; K1855-E1863 WeakPolarHBondContact CE-OE1 2.97Å; K1855-E1863 VanDerWaalsContact CE-OE2 3.31Å; K1855-E1863 WeakPolarHBondContact CE-OE2 3.32Å; K1855-E1863 HydrophobicContact CG-CG 4.47Å; K1855-E1863 VanDerWaalsContact CG-OE1 3.3Å; K1855-E1863 WeakPolarHBondContact CG-OE1 3.47Å; K1855-E1863 IonicContact NZ-OE1 2.64Å; K1855-E1863 PolarHBondContact NZ-OE1 3.24Å; K1855-E1863 IonicContact NZ-OE2 3.11Å; K1855-E1863 PolarHBondContact NZ-OE2 2.75Å
1864	Y	72.1	Confident	69.9	Low	77 Å²	77	64 Å²	64	30%	0.302	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	164.8	-174.7	-84.6	-84.8	0	0	0	111.2	K1829 F1831 C1856 D1858 N1862 L1868	K1829-Y1864 HydrophobicContact CD-CE2 4.4Å; K1829-Y1864 PolarHBondContact NZ-OH 2.87Å; F1831-Y1864 HydrophobicContact CD1-CD2 4.18Å; F1831-Y1864 HydrophobicContact CD1-CG 4.16Å; F1831-Y1864 AromaticContact CE1-CD1 3.85Å; F1831-Y1864 HydrophobicContact CE1-CD1 3.85Å; F1831-Y1864 AromaticContact CE1-CD2 3.66Å; F1831-Y1864 HydrophobicContact CE1-CD2 3.66Å; F1831-Y1864 HydrophobicContact CE1-CE1 4.11Å; F1831-Y1864 AromaticContact CE1-CE2 3.94Å; F1831-Y1864 HydrophobicContact CE1-CE2 3.94Å; F1831-Y1864 AromaticContact CE1-CG 3.62Å; F1831-Y1864 HydrophobicContact CE1-CG 3.62Å; F1831-Y1864 HydrophobicContact CZ-CD1 4.47Å; F1831-Y1864 HydrophobicContact CZ-CE1 4.49Å; C1856-Y1864 PolarHBondContact O-N 3.26Å; D1858-Y1864 HydrophobicContact CB-CD2 4.24Å; D1858-Y1864 HydrophobicContact CB-CE2 3.88Å; N1862-Y1864 HydrophobicContact CB-CE2 4.03Å; N1862-Y1864 WeakPolarHBondContact O-CD2 3.47Å; Y1864-L1868 HydrophobicContact CD1-CD1 3.63Å; Y1864-L1868 HydrophobicContact CG-CD1 4.16Å
1865	S	75	Confident	69.6	Low	66 Å²	66	65 Å²	65	46%	0.462	36%	0.363	S	S	.	.			trans	-54.3	138.8	175.5	179.6	0	0	0	0	111.7	T1867 L1868	S1865-T1867 WeakPolarHBondContact CB-OG1 3.32Å; S1865-T1867 PolarHBondContact O-N 3.27Å; S1865-T1867 PolarHBondContact OG-N 2.04Å; S1865-T1867 PolarHBondContact OG-OG1 2.65Å; S1865-L1868 WeakPolarHBondContact O-CB 3.21Å; S1865-L1868 PolarHBondContact O-N 2.83Å
1866	E	75.3	Confident	69.3	Low	105 Å²	105	65.2 Å²	65.2	49%	0.491	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-53.4	-27.9	175.8	-69.1	-155.8	161.6	0	0	113.4	W1833 L1868 C1869 K1874	W1833-E1866 HydrophobicContact CH2-CB 3.91Å; W1833-E1866 HydrophobicContact CH2-CG 4.08Å; W1833-E1866 HydrophobicContact CZ3-CB 4.48Å; W1833-E1866 HydrophobicContact CZ3-CG 4.22Å; E1866-L1868 PolarHBondContact O-N 3.08Å; E1866-C1869 PolarHBondContact O-N 2.69Å; E1866-K1874 WeakPolarHBondContact OE1-CE 2.93Å; E1866-K1874 IonicContact OE1-NZ 3.9Å; E1866-K1874 PolarHBondContact OE1-NZ 3.05Å; E1866-K1874 IonicContact OE2-NZ 2.68Å; E1866-K1874 PolarHBondContact OE2-NZ 3.29Å
1867	T	68.8	Low	68.7	Low	125 Å²	125	69.4 Å²	69.4	77%	0.767	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-66.1	-14.7	177.7	55.9	0	0	0	0	114.6	S1865	S1865-T1867 WeakPolarHBondContact CB-OG1 3.32Å; S1865-T1867 PolarHBondContact O-N 3.27Å; S1865-T1867 PolarHBondContact OG-N 2.04Å; S1865-T1867 PolarHBondContact OG-OG1 2.65Å
1868	L	68.7	Low	68.7	Low	79 Å²	79	77 Å²	77	41%	0.414	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-89.8	-14.6	179.9	-70.1	165.4	0	0	0	113.1	F1831 Y1864 S1865 E1866	F1831-L1868 HydrophobicContact CB-CB 4.48Å; F1831-L1868 WeakPolarHBondContact CB-O 3.49Å; F1831-L1868 HydrophobicContact CD1-CB 4.12Å; F1831-L1868 HydrophobicContact CD2-CB 4.16Å; F1831-L1868 HydrophobicContact CE1-CB 4.44Å; F1831-L1868 HydrophobicContact CE1-CD1 4.27Å; F1831-L1868 HydrophobicContact CE2-CB 4.48Å; F1831-L1868 HydrophobicContact CE2-CD2 4.29Å; F1831-L1868 HydrophobicContact CG-CB 3.98Å; F1831-L1868 HydrophobicContact CZ-CD1 4.31Å; Y1864-L1868 HydrophobicContact CD1-CD1 3.63Å; Y1864-L1868 HydrophobicContact CG-CD1 4.16Å; S1865-L1868 WeakPolarHBondContact O-CB 3.21Å; S1865-L1868 PolarHBondContact O-N 2.83Å; E1866-L1868 PolarHBondContact O-N 3.08Å
1869	C	77	Confident	68.6	Low	5 Å²	5	77.6 Å²	77.6	3%	0.034	43%	0.429	C	S	.	.	S	Bend	trans	-105.8	141.7	175.2	-70.8	0	0	0	0	110.5	F1831 W1833 C1856 E1866 A1871	F1831-C1869 VanDerWaalsContact C-SG 3.55Å; W1833-C1869 HydrophobicContact CD2-CB 3.62Å; W1833-C1869 HydrophobicContact CE3-CB 4.2Å; W1833-C1869 HydrophobicContact CG-CB 4.03Å; W1833-C1869 HydrophobicContact CH2-CB 4.17Å; W1833-C1869 HydrophobicContact CZ2-CB 3.58Å; W1833-C1869 HydrophobicContact CZ3-CB 4.45Å; C1856-C1869 WeakPolarHBondContact CA-SG 3.32Å; C1856-C1869 HydrophobicContact CB-CB 3.72Å; C1856-C1869 WeakPolarHBondContact CB-SG 3.39Å; C1856-C1869 WeakPolarHBondContact SG-CB 3.07Å; C1856-C1869 PolarHBondContact SG-N 2.73Å; C1856-C1869 CovalentContact SG-SG 2.03Å; C1856-C1869 PolarHBondContact SG-SG 3.11Å; E1866-C1869 PolarHBondContact O-N 2.69Å; C1869-A1871 PolarHBondContact O-N 3.14Å; C1869-A1871 VanDerWaalsContact O-N 3.12Å
1870	P	67.6	Low	68.7	Low	60 Å²	60	79.2 Å²	79.2	39%	0.39	44%	0.441	S	S	.	.			trans	-63.4	118.1	-175.2	-23.8	35.1	0	0	0	111.9	W1833 N1872 L1873 K1874	W1833-P1870 PolarHBondContact NE1-O 2.87Å; P1870-N1872 VanDerWaalsContact CB-OD1 3.25Å; P1870-N1872 WeakPolarHBondContact CB-OD1 3.08Å; P1870-N1872 PolarHBondContact O-N 2.85Å; P1870-N1872 VanDerWaalsContact O-N 3.15Å; P1870-L1873 HydrophobicContact CB-CB 4.29Å; P1870-L1873 HydrophobicContact CB-CD1 4.02Å; P1870-L1873 HydrophobicContact CB-CG 4.05Å; P1870-L1873 HydrophobicContact CG-CD1 4.02Å; P1870-L1873 WeakPolarHBondContact O-CA 3.39Å; P1870-L1873 WeakPolarHBondContact O-CB 3.22Å; P1870-L1873 PolarHBondContact O-N 3.05Å; P1870-K1874 PolarHBondContact O-N 2.93Å
1871	A	68.7	Low	68.8	Low	83 Å²	83	77.4 Å²	77.4	69%	0.686	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-59.6	-30.2	-173.1	0	0	0	0	0	113.6	C1869 L1873 K1874	C1869-A1871 PolarHBondContact O-N 3.14Å; C1869-A1871 VanDerWaalsContact O-N 3.12Å; A1871-L1873 VanDerWaalsContact C-N 3.26Å; A1871-L1873 PolarHBondContact O-N 3.12Å; A1871-K1874 VanDerWaalsContact O-CB 3.23Å; A1871-K1874 WeakPolarHBondContact O-CB 3.14Å; A1871-K1874 PolarHBondContact O-N 3.34Å
1872	N	61	Low	68.4	Low	140 Å²	140	79 Å²	79	75%	0.749	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-70.6	-17.4	173.8	66.4	-50.6	0	0	0	114.1	P1870	P1870-N1872 VanDerWaalsContact CB-OD1 3.25Å; P1870-N1872 WeakPolarHBondContact CB-OD1 3.08Å; P1870-N1872 PolarHBondContact O-N 2.85Å; P1870-N1872 VanDerWaalsContact O-N 3.15Å
1873	L	66.7	Low	67.9	Low	113 Å²	113	79.6 Å²	79.6	59%	0.592	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-96.4	-0.3	173.4	-61.1	-177.8	0	0	0	112.5	W1833 P1870 A1871 P1875	W1833-L1873 VanDerWaalsContact CD1-C 3.45Å; W1833-L1873 VanDerWaalsContact CD1-O 3.31Å; P1870-L1873 HydrophobicContact CB-CB 4.29Å; P1870-L1873 HydrophobicContact CB-CD1 4.02Å; P1870-L1873 HydrophobicContact CB-CG 4.05Å; P1870-L1873 HydrophobicContact CG-CD1 4.02Å; P1870-L1873 WeakPolarHBondContact O-CA 3.39Å; P1870-L1873 WeakPolarHBondContact O-CB 3.22Å; P1870-L1873 PolarHBondContact O-N 3.05Å; A1871-L1873 VanDerWaalsContact C-N 3.26Å; A1871-L1873 PolarHBondContact O-N 3.12Å; L1873-P1875 WeakPolarHBondContact O-CD 3.36Å; L1873-P1875 VanDerWaalsContact O-N 3.12Å
1874	K	81.9	Confident	67.1	Low	78 Å²	78	79.3 Å²	79.3	34%	0.339	44%	0.441	S	S	.	.			trans	-62.9	110.3	-176.3	-169.3	174.4	-170.7	-177.8	0	110.3	W1833 V1854 E1866 P1870 A1871	W1833-K1874 HydrophobicContact CD2-CB 4.22Å; W1833-K1874 HydrophobicContact CD2-CG 4.04Å; W1833-K1874 HydrophobicContact CE3-CG 4.09Å; W1833-K1874 HydrophobicContact CH2-CB 4.27Å; W1833-K1874 HydrophobicContact CH2-CD 3.59Å; W1833-K1874 HydrophobicContact CH2-CG 3.73Å; W1833-K1874 HydrophobicContact CZ2-CB 3.67Å; W1833-K1874 HydrophobicContact CZ2-CD 3.85Å; W1833-K1874 HydrophobicContact CZ2-CG 3.67Å; W1833-K1874 HydrophobicContact CZ3-CD 4.05Å; W1833-K1874 HydrophobicContact CZ3-CG 3.94Å; V1854-K1874 HydrophobicContact CG1-CG 3.95Å; E1866-K1874 WeakPolarHBondContact OE1-CE 2.93Å; E1866-K1874 IonicContact OE1-NZ 3.9Å; E1866-K1874 PolarHBondContact OE1-NZ 3.05Å; E1866-K1874 IonicContact OE2-NZ 2.68Å; E1866-K1874 PolarHBondContact OE2-NZ 3.29Å; P1870-K1874 PolarHBondContact O-N 2.93Å; A1871-K1874 VanDerWaalsContact O-CB 3.23Å; A1871-K1874 WeakPolarHBondContact O-CB 3.14Å; A1871-K1874 PolarHBondContact O-N 3.34Å
1875	P	75.7	Confident	66.3	Low	37 Å²	37	76.2 Å²	76.2	24%	0.24	43%	0.43	C	S	.	.			trans	-66	150.8	180	-20.9	35.3	0	0	0	110.3	W1833 T1835 L1873 N1877	W1833-P1875 HydrophobicContact CB-CG 3.84Å; T1835-P1875 HydrophobicContact CG2-CB 3.51Å; T1835-P1875 HydrophobicContact CG2-CG 3.55Å; L1873-P1875 WeakPolarHBondContact O-CD 3.36Å; L1873-P1875 VanDerWaalsContact O-N 3.12Å; P1875-N1877 PolarHBondContact O-N 3.43Å
1876	S	73	Confident	65.4	Low	68 Å²	68	76.1 Å²	76.1	48%	0.476	43%	0.429	S	S	.	.			trans	-61.4	127.5	179.7	68.1	0	0	0	0	111.3	R1852 R1878	R1852-S1876 PolarHBondContact NE-O 2.8Å; R1852-S1876 PolarHBondContact NH2-O 3.37Å; S1876-R1878 WeakPolarHBondContact CB-O 3.12Å; S1876-R1878 PolarHBondContact OG-O 2.85Å
1877	N	72.3	Confident	65	Low	90 Å²	90	76.4 Å²	76.4	48%	0.481	43%	0.434	S	S	.	.	S	Bend	trans	-74.1	-16.6	172.1	61.2	-7.8	0	0	0	112.5	Y1851 R1852 V1854 P1875	Y1851-N1877 CarbonylContact C-O 3.56Å; Y1851-N1877 WeakPolarHBondContact CA-O 3.36Å; R1852-N1877 PolarHBondContact N-O 2.86Å; V1854-N1877 HydrophobicContact CB-CB 4.47Å; V1854-N1877 HydrophobicContact CG2-CB 3.82Å; P1875-N1877 PolarHBondContact O-N 3.43Å
1878	R	74.8	Confident	65.1	Low	164 Å²	164	72.2 Å²	72.2	62%	0.619	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	146.1	171.5	-60.9	173.3	-176.3	-179	-0.6	109.9	Y1851 S1876	Y1851-R1878 HydrophobicContact CD1-CG 4.26Å; Y1851-R1878 HydrophobicContact CE1-CG 4.33Å; S1876-R1878 WeakPolarHBondContact CB-O 3.12Å; S1876-R1878 PolarHBondContact OG-O 2.85Å
1879	G	63.1	Low	65.8	Low	14 Å²	14	69 Å²	69	14%	0.144	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	153.7	172.6	0	0	0	0	0	111.1	K1850	K1850-G1879 VanDerWaalsContact CG-O 3.22Å; K1850-G1879 WeakPolarHBondContact CG-O 3.15Å; K1850-G1879 PolarHBondContact N-O 3.17Å; K1850-G1879 PolarHBondContact O-N 2.83Å
1880	V	58.3	Low	66.1	Low	98 Å²	98	73.8 Å²	73.8	59%	0.594	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.5	171.7	-173.9	0	0	0	0	108.4	K1850 P1882	K1850-V1880 VanDerWaalsContact CE-O 3.26Å; K1850-V1880 WeakPolarHBondContact CE-O 3.36Å; V1880-P1882 WeakPolarHBondContact O-CD 3.09Å
1881	C	56.4	Low	67.2	Low	3 Å²	3	71.1 Å²	71.1	2%	0.02	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-63.3	118.8	168.3	-75.3	0	0	0	0	109.6	C1841 R1848	C1841-C1881 VanDerWaalsContact CA-SG 3.51Å; C1841-C1881 HydrophobicContact CB-CB 3.97Å; C1841-C1881 WeakPolarHBondContact CB-SG 3.45Å; C1841-C1881 WeakPolarHBondContact SG-CB 3.32Å; C1841-C1881 CovalentContact SG-SG 2.03Å; C1841-C1881 PolarHBondContact SG-SG 2.03Å; R1848-C1881 VanDerWaalsContact O-CB 3.3Å; R1848-C1881 WeakPolarHBondContact O-CB 3.19Å; R1848-C1881 PolarHBondContact O-N 2.77Å; R1848-C1881 PolarHBondContact O-SG 2.94Å; R1848-C1881 VanDerWaalsContact O-SG 3.35Å
1882	P	50.5	Low	68.2	Low	68 Å²	68	67.2 Å²	67.2	44%	0.442	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-64.4	142.7	167.7	-8.3	23.9	0	0	0	108	V1880 L1884	V1880-P1882 WeakPolarHBondContact O-CD 3.09Å; P1882-L1884 HydrophobicContact CB-CD1 4.34Å; P1882-L1884 HydrophobicContact CB-CG 4.25Å; P1882-L1884 HydrophobicContact CG-CD1 4.29Å; P1882-L1884 PolarHBondContact O-N 2.81Å
1883	N	51	Low	69.7	Low	81 Å²	81	67.5 Å²	67.5	43%	0.433	35%	0.352	S	S	.	.			trans	-75.9	68.4	174.3	-168.9	-2.2	0	0	0	110.1	C1885 S1886	N1883-C1885 PolarHBondContact O-N 2.71Å; N1883-S1886 PolarHBondContact O-N 3.15Å; N1883-S1886 PolarHBondContact O-OG 2.99Å
1884	L	52	Low	70.7	Confident	112 Å²	112	64.5 Å²	64.5	59%	0.586	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-57.3	-18.3	-177.2	-79	138	0	0	0	113.1	P1882 S1886	P1882-L1884 HydrophobicContact CB-CD1 4.34Å; P1882-L1884 HydrophobicContact CB-CG 4.25Å; P1882-L1884 HydrophobicContact CG-CD1 4.29Å; P1882-L1884 PolarHBondContact O-N 2.81Å; L1884-S1886 PolarHBondContact O-N 3.41Å
1885	C	55.2	Low	71	Confident	11 Å²	11	61.2 Å²	61.2	7%	0.074	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-74.5	4.5	175.2	-65.8	0	0	0	0	114.6	N1883 L1910	N1883-C1885 PolarHBondContact O-N 2.71Å; C1885-L1910 HydrophobicContact CB-CD2 3.45Å; C1885-L1910 VanDerWaalsContact CB-CD2 3.45Å; C1885-L1910 VanDerWaalsContact SG-CD2 3.55Å
1886	S	56.6	Low	71.5	Confident	64 Å²	64	62.1 Å²	62.1	45%	0.448	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-73.4	-42.1	167.9	60.3	0	0	0	0	112.9	N1883 L1884 R1898	N1883-S1886 PolarHBondContact O-N 3.15Å; N1883-S1886 PolarHBondContact O-OG 2.99Å; L1884-S1886 PolarHBondContact O-N 3.41Å; S1886-R1898 PolarHBondContact O-NH1 3.42Å; S1886-R1898 PolarHBondContact O-NH2 3.01Å
1887	D	66.9	Low	72.1	Confident	111 Å²	111	68.3 Å²	68.3	59%	0.594	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-13.4	-163.2	-73.3	26.4	0	0	0	113	R1898	D1887-R1898 PolarHBondContact O-NH1 3.3Å
1888	I	69.7	Low	72.6	Confident	37 Å²	37	68.1 Å²	68.1	19%	0.19	33%	0.328	C	S	.	.	S	Bend	trans	-87.2	129.2	176.9	-54.5	159.5	0	0	0	109.9	L1910 L1915	I1888-L1910 HydrophobicContact CB-CB 4.31Å; I1888-L1910 HydrophobicContact CG2-CB 3.79Å; I1888-L1915 HydrophobicContact CD1-CD1 4.27Å; I1888-L1915 HydrophobicContact CD1-CD2 4.12Å; I1888-L1915 HydrophobicContact CD1-CG 4.35Å; I1888-L1915 HydrophobicContact CG2-CD2 3.83Å
1889	P	82.6	Confident	73	Confident	11 Å²	11	65.8 Å²	65.8	7%	0.071	32%	0.32	C	S	.	.			trans	-68.5	143.1	173.4	28.1	-33.3	0	0	0	112.2	E1894 L1895 L1909 L1910	P1889-E1894 HydrophobicContact CB-CB 4.12Å; P1889-E1894 HydrophobicContact CB-CG 3.98Å; P1889-L1895 HydrophobicContact CB-CB 4.12Å; P1889-L1895 HydrophobicContact CG-CB 4.16Å; P1889-L1895 HydrophobicContact CG-CD1 3.93Å; P1889-L1909 HydrophobicContact CB-CD2 4.2Å; P1889-L1909 HydrophobicContact CG-CD2 4.02Å; P1889-L1909 WeakPolarHBondContact O-CA 3.4Å; P1889-L1910 PolarHBondContact O-N 3.32Å
1890	K	83.9	Confident	73.9	Confident	106 Å²	106	70.5 Å²	70.5	46%	0.461	35%	0.348	S	S	.	.	S	Bend	trans	-94.1	-18.8	178.4	-62.4	168.7	-175.5	172.2	0	112.9	E1894 L1910 I2021	K1890-E1894 WeakPolarHBondContact CB-OE2 3.09Å; K1890-E1894 PolarHBondContact N-OE2 3.16Å; K1890-L1910 HydrophobicContact CG-CB 4.28Å; K1890-L1910 HydrophobicContact CG-CD2 4.41Å; K1890-I2021 VanDerWaalsContact O-CD1 3.32Å; K1890-I2021 WeakPolarHBondContact O-CD1 3.16Å
1891	S	90.2	Very high	74.9	Confident	5 Å²	5	70.9 Å²	70.9	4%	0.035	36%	0.355	C	S	.	.	S	Bend	trans	-140.3	161.4	-178.7	65.8	0	0	0	0	112.4	R1893 E1894 L1895 I2021	S1891-R1893 PolarHBondContact O-N 3.47Å; S1891-E1894 PolarHBondContact O-N 3.2Å; S1891-E1894 VanDerWaalsContact O-N 3.17Å; S1891-E1894 WeakPolarHBondContact OG-CB 3.46Å; S1891-E1894 PolarHBondContact OG-N 3.05Å; S1891-L1895 PolarHBondContact O-N 2.7Å; S1891-I2021 VanDerWaalsContact CA-CD1 3.49Å
1892	C	91.5	Very high	76	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-62.9	-30.2	171.9	-67.8	0	0	0	0	111.2	L1895 K1896 C1920 M1923 P1928 E1930	C1892-L1895 WeakPolarHBondContact O-CB 3.11Å; C1892-L1895 PolarHBondContact O-N 3.23Å; C1892-K1896 PolarHBondContact O-N 2.78Å; C1892-C1920 HydrophobicContact CB-CB 3.75Å; C1892-C1920 WeakPolarHBondContact CB-SG 2.93Å; C1892-C1920 WeakPolarHBondContact SG-CA 3.15Å; C1892-C1920 WeakPolarHBondContact SG-CB 3.37Å; C1892-C1920 CovalentContact SG-SG 2.03Å; C1892-C1920 PolarHBondContact SG-SG 3.4Å; C1892-M1923 HydrophobicContact CB-SD 4.18Å; C1892-P1928 VanDerWaalsContact C-CG 3.46Å; C1892-P1928 HydrophobicContact CB-CB 3.97Å; C1892-P1928 HydrophobicContact CB-CG 3.84Å; C1892-P1928 WeakPolarHBondContact O-CG 3.18Å; C1892-E1930 HydrophobicContact CB-CG 4.3Å; C1892-E1930 PolarHBondContact N-OE1 2.91Å
1893	R	90.9	Very high	77.8	Confident	147 Å²	147	73.8 Å²	73.8	56%	0.555	37%	0.368	S	S	*	.	H	α-helix	trans	-67.7	-38.9	174.1	-179	173.3	171.6	177.2	-6.1	112.5	S1891 Y1897 N1927 P1928	S1891-R1893 PolarHBondContact O-N 3.47Å; R1893-Y1897 PolarHBondContact O-N 3.2Å; R1893-N1927 WeakPolarHBondContact CD-OD1 3.49Å; R1893-N1927 PolarHBondContact NH1-OD1 3.36Å; R1893-P1928 HydrophobicContact CB-CG 4.32Å
1894	E	88.6	Confident	79.6	Confident	49 Å²	49	73 Å²	73	23%	0.229	36%	0.364	C	S	.	.	H	α-helix	trans	-72	-36.3	174.1	-175.8	169.6	-152.1	0	0	111.8	P1889 K1890 S1891 Y1897 R1898	P1889-E1894 HydrophobicContact CB-CB 4.12Å; P1889-E1894 HydrophobicContact CB-CG 3.98Å; K1890-E1894 WeakPolarHBondContact CB-OE2 3.09Å; K1890-E1894 PolarHBondContact N-OE2 3.16Å; S1891-E1894 PolarHBondContact O-N 3.2Å; S1891-E1894 VanDerWaalsContact O-N 3.17Å; S1891-E1894 WeakPolarHBondContact OG-CB 3.46Å; S1891-E1894 PolarHBondContact OG-N 3.05Å; E1894-Y1897 PolarHBondContact O-N 3.22Å; E1894-R1898 HydrophobicContact CG-CG 4.37Å; E1894-R1898 WeakPolarHBondContact O-CB 3.34Å; E1894-R1898 VanDerWaalsContact O-CG 3.31Å; E1894-R1898 WeakPolarHBondContact O-CG 3.41Å; E1894-R1898 PolarHBondContact O-N 3.32Å; E1894-R1898 IonicContact OE1-CZ 3.94Å; E1894-R1898 VanDerWaalsContact OE1-CZ 3.31Å; E1894-R1898 IonicContact OE1-NE 3.35Å; E1894-R1898 PolarHBondContact OE1-NE 3.44Å; E1894-R1898 IonicContact OE1-NH2 2.64Å; E1894-R1898 PolarHBondContact OE1-NH2 3.41Å
1895	L	88.1	Confident	81.1	Confident	10 Å²	10	68.5 Å²	68.5	5%	0.052	35%	0.345	C	S	.	.	H	α-helix	trans	-56.6	-52.3	169.8	178	77.7	0	0	0	110.6	P1889 S1891 C1892 Y1897 R1898 Y1899 A1902 Y1907 M1923	P1889-L1895 HydrophobicContact CB-CB 4.12Å; P1889-L1895 HydrophobicContact CG-CB 4.16Å; P1889-L1895 HydrophobicContact CG-CD1 3.93Å; S1891-L1895 PolarHBondContact O-N 2.7Å; C1892-L1895 WeakPolarHBondContact O-CB 3.11Å; C1892-L1895 PolarHBondContact O-N 3.23Å; L1895-Y1897 VanDerWaalsContact C-N 3.32Å; L1895-Y1897 PolarHBondContact O-N 2.86Å; L1895-R1898 PolarHBondContact O-N 3.45Å; L1895-Y1899 HydrophobicContact CD1-CD2 3.97Å; L1895-Y1899 PolarHBondContact O-N 3.3Å; L1895-A1902 HydrophobicContact CD2-CB 4.31Å; L1895-A1902 HydrophobicContact CG-CB 4.24Å; L1895-Y1907 HydrophobicContact CD1-CD1 3.99Å; L1895-Y1907 HydrophobicContact CD1-CE1 4.44Å; L1895-Y1907 HydrophobicContact CD1-CG 4.32Å; L1895-Y1907 HydrophobicContact CD2-CD1 3.65Å; L1895-Y1907 HydrophobicContact CD2-CD2 3.38Å; L1895-Y1907 HydrophobicContact CD2-CE1 3.96Å; L1895-Y1907 HydrophobicContact CD2-CE2 3.7Å; L1895-Y1907 HydrophobicContact CD2-CG 3.35Å; L1895-Y1907 HydrophobicContact CG-CD1 4.45Å; L1895-Y1907 HydrophobicContact CG-CG 4.49Å; L1895-M1923 HydrophobicContact CD2-CE 3.75Å; L1895-M1923 HydrophobicContact CG-CE 4.17Å
1896	K	85.9	Confident	82.6	Confident	55 Å²	55	71.4 Å²	71.4	24%	0.239	36%	0.362	C	S	.	.	H	α-helix	trans	-59	-39.4	176.7	178.7	169.4	-177	156	0	113.1	C1892 Y1899 P1900 M1923 E1924 S1925 P1928	C1892-K1896 PolarHBondContact O-N 2.78Å; K1896-Y1899 CarbonylContact O-C 3.55Å; K1896-Y1899 VanDerWaalsContact O-C 3.29Å; K1896-P1900 WeakPolarHBondContact O-CA 3.16Å; K1896-M1923 HydrophobicContact CB-CE 3.84Å; K1896-M1923 WeakPolarHBondContact CD-O 3.01Å; K1896-M1923 WeakPolarHBondContact CE-O 3.44Å; K1896-M1923 PolarHBondContact NZ-O 3.29Å; K1896-E1924 PolarHBondContact NZ-O 2.79Å; K1896-S1925 WeakPolarHBondContact CD-O 3.1Å; K1896-S1925 PolarHBondContact NZ-O 3.17Å; K1896-P1928 HydrophobicContact CB-CG 4.45Å
1897	Y	84.8	Confident	84.1	Confident	199 Å²	199	71.4 Å²	71.4	78%	0.78	35%	0.353	S	S	*	.	H	α-helix	trans	-67.9	-39.3	177.8	179.3	-99.2	0	0	0	112.6	R1893 E1894 L1895	R1893-Y1897 PolarHBondContact O-N 3.2Å; E1894-Y1897 PolarHBondContact O-N 3.22Å; L1895-Y1897 VanDerWaalsContact C-N 3.32Å; L1895-Y1897 PolarHBondContact O-N 2.86Å
1898	R	83.2	Confident	84.9	Confident	85 Å²	85	70.3 Å²	70.3	32%	0.321	34%	0.344	S	S	.	.	H	α-helix	trans	-77.2	-30.5	177.7	-67.8	175	-175.8	-131.2	0.7	112.7	S1886 D1887 E1894 L1895	S1886-R1898 PolarHBondContact O-NH1 3.42Å; S1886-R1898 PolarHBondContact O-NH2 3.01Å; D1887-R1898 PolarHBondContact O-NH1 3.3Å; E1894-R1898 HydrophobicContact CG-CG 4.37Å; E1894-R1898 WeakPolarHBondContact O-CB 3.34Å; E1894-R1898 VanDerWaalsContact O-CG 3.31Å; E1894-R1898 WeakPolarHBondContact O-CG 3.41Å; E1894-R1898 PolarHBondContact O-N 3.32Å; E1894-R1898 IonicContact OE1-CZ 3.94Å; E1894-R1898 VanDerWaalsContact OE1-CZ 3.31Å; E1894-R1898 IonicContact OE1-NE 3.35Å; E1894-R1898 PolarHBondContact OE1-NE 3.44Å; E1894-R1898 IonicContact OE1-NH2 2.64Å; E1894-R1898 PolarHBondContact OE1-NH2 3.41Å; L1895-R1898 PolarHBondContact O-N 3.45Å
1899	Y	83.7	Confident	85.7	Confident	115 Å²	115	68.5 Å²	68.5	45%	0.451	34%	0.335	S	S	.	.			trans	-137.3	87.6	-176.4	-54	-79.5	0	0	0	109.9	L1895 K1896 S1901 A1902	L1895-Y1899 HydrophobicContact CD1-CD2 3.97Å; L1895-Y1899 PolarHBondContact O-N 3.3Å; K1896-Y1899 CarbonylContact O-C 3.55Å; K1896-Y1899 VanDerWaalsContact O-C 3.29Å; Y1899-S1901 PolarHBondContact O-N 3.21Å; Y1899-A1902 WeakPolarHBondContact O-CB 3.05Å; Y1899-A1902 PolarHBondContact O-N 2.05Å
1900	P	81.9	Confident	85.7	Confident	114 Å²	114	68.7 Å²	68.7	74%	0.74	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.3	-177.5	-25.8	36.4	0	0	0	115.5	K1896	K1896-P1900 WeakPolarHBondContact O-CA 3.16Å
1901	S	79.4	Confident	85.6	Confident	105 Å²	105	64 Å²	64	73%	0.734	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	28.6	178.3	65.9	0	0	0	0	112.8	Y1899	Y1899-S1901 PolarHBondContact O-N 3.21Å
1902	A	79.2	Confident	84.9	Confident	11 Å²	11	70 Å²	70	9%	0.091	34%	0.343	C	S	.	.			trans	-95	120.4	174.3	0	0	0	0	0	109.5	L1895 Y1899 Y1907 M1923	L1895-A1902 HydrophobicContact CD2-CB 4.31Å; L1895-A1902 HydrophobicContact CG-CB 4.24Å; Y1899-A1902 WeakPolarHBondContact O-CB 3.05Å; Y1899-A1902 PolarHBondContact O-N 2.05Å; A1902-Y1907 HydrophobicContact CB-CE1 4.4Å; A1902-M1923 HydrophobicContact CB-CE 3.58Å; A1902-M1923 VanDerWaalsContact O-CB 3.23Å; A1902-M1923 WeakPolarHBondContact O-CB 3.15Å; A1902-M1923 VanDerWaalsContact O-CE 3.26Å; A1902-M1923 WeakPolarHBondContact O-CE 3.5Å
1903	D	88	Confident	83.8	Confident	122 Å²	122	73.7 Å²	73.7	65%	0.652	36%	0.36	S	S	*	.			trans	-94.5	-179.3	-176.3	-55.6	-47.4	0	0	0	113.1	G1905 Y1907 M1923	D1903-G1905 PolarHBondContact O-N 2.85Å; D1903-Y1907 PolarHBondContact N-OH 3.35Å; D1903-Y1907 VanDerWaalsContact O-CE2 3.31Å; D1903-Y1907 WeakPolarHBondContact O-CE2 3.26Å; D1903-Y1907 PolarHBondContact O-OH 3.03Å; D1903-M1923 WeakPolarHBondContact O-CG 3.42Å
1904	D	88.9	Confident	82.7	Confident	64 Å²	64	68.6 Å²	68.6	34%	0.342	35%	0.347	S	S	.	.	S	Bend	trans	-63.3	97.3	178.6	-91.7	33.2	0	0	0	112.5	Y1919 C1920 A1921 D1922 M1923 R2032	D1904-Y1919 PolarHBondContact O-OH 3.37Å; D1904-C1920 CarbonylContact C-O 3.46Å; D1904-C1920 WeakPolarHBondContact CA-O 3.37Å; D1904-A1921 VanDerWaalsContact OD2-CA 3.24Å; D1904-A1921 WeakPolarHBondContact OD2-CA 3.17Å; D1904-D1922 PolarHBondContact OD1-N 3.18Å; D1904-D1922 PolarHBondContact OD2-N 3.43Å; D1904-M1923 PolarHBondContact OD1-N 3.36Å; D1904-R2032 IonicContact OD2-NH2 2.66Å
1905	G	83.1	Confident	82.2	Confident	17 Å²	17	68.7 Å²	68.7	18%	0.175	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	175.5	-167.3	0	0	0	0	0	114.9	D1903 Y1907 Y1919 C1920	D1903-G1905 PolarHBondContact O-N 2.85Å; G1905-Y1907 VanDerWaalsContact O-CD2 3.27Å; G1905-Y1907 WeakPolarHBondContact O-CD2 3.45Å; G1905-Y1919 VanDerWaalsContact C-CD2 3.5Å; G1905-Y1919 CarbonylContact O-C 3.4Å; G1905-Y1919 WeakPolarHBondContact O-CA 3.01Å; G1905-C1920 PolarHBondContact N-O 3.11Å; G1905-C1920 VanDerWaalsContact N-O 3.12Å; G1905-C1920 PolarHBondContact O-N 3.18Å
1906	T	86.9	Confident	82	Confident	73 Å²	73	68.3 Å²	68.3	45%	0.448	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.2	176.7	-44.6	0	0	0	0	111	Y1917 I1918	T1906-Y1917 HydrophobicContact CG2-CD1 4.13Å; T1906-I1918 WeakPolarHBondContact CA-O 3.34Å
1907	Y	88.1	Confident	82	Confident	63 Å²	63	68.6 Å²	68.6	25%	0.247	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	158.8	-176.7	-62.9	-85.6	0	0	0	111.7	L1895 A1902 D1903 G1905 Y1917 I1918 C1920	L1895-Y1907 HydrophobicContact CD1-CD1 3.99Å; L1895-Y1907 HydrophobicContact CD1-CE1 4.44Å; L1895-Y1907 HydrophobicContact CD1-CG 4.32Å; L1895-Y1907 HydrophobicContact CD2-CD1 3.65Å; L1895-Y1907 HydrophobicContact CD2-CD2 3.38Å; L1895-Y1907 HydrophobicContact CD2-CE1 3.96Å; L1895-Y1907 HydrophobicContact CD2-CE2 3.7Å; L1895-Y1907 HydrophobicContact CD2-CG 3.35Å; L1895-Y1907 HydrophobicContact CG-CD1 4.45Å; L1895-Y1907 HydrophobicContact CG-CG 4.49Å; A1902-Y1907 HydrophobicContact CB-CE1 4.4Å; D1903-Y1907 PolarHBondContact N-OH 3.35Å; D1903-Y1907 VanDerWaalsContact O-CE2 3.31Å; D1903-Y1907 WeakPolarHBondContact O-CE2 3.26Å; D1903-Y1907 PolarHBondContact O-OH 3.03Å; G1905-Y1907 VanDerWaalsContact O-CD2 3.27Å; G1905-Y1907 WeakPolarHBondContact O-CD2 3.45Å; Y1907-Y1917 WeakPolarHBondContact O-CA 3.3Å; Y1907-I1918 PolarHBondContact N-O 3.32Å; Y1907-I1918 PolarHBondContact O-N 2.8Å; Y1907-C1920 HydrophobicContact CD2-CB 3.96Å; Y1907-C1920 HydrophobicContact CE2-CB 4.21Å
1908	Q	85.1	Confident	82.3	Confident	88 Å²	88	59.1 Å²	59.1	41%	0.411	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	124.3	165.9	-73.3	-174.5	-4.5	0	0	109.6	L1915 V1916 Y1917	Q1908-L1915 HydrophobicContact CB-CD2 4.01Å; Q1908-V1916 WeakPolarHBondContact CA-O 3.44Å; Q1908-Y1917 HydrophobicContact CG-CD1 4.18Å; Q1908-Y1917 HydrophobicContact CG-CD2 4.49Å; Q1908-Y1917 HydrophobicContact CG-CE1 3.57Å; Q1908-Y1917 HydrophobicContact CG-CE2 3.91Å; Q1908-Y1917 VanDerWaalsContact CG-CZ 3.48Å; Q1908-Y1917 PolarHBondContact NE2-OH 3.18Å
1909	L	85.9	Confident	82.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	152	170.3	-61.2	-177.2	0	0	0	110.6	P1889 I1911 V1916 I1918 E1930	P1889-L1909 HydrophobicContact CB-CD2 4.2Å; P1889-L1909 HydrophobicContact CG-CD2 4.02Å; P1889-L1909 WeakPolarHBondContact O-CA 3.4Å; L1909-I1911 HydrophobicContact CB-CG1 4.4Å; L1909-V1916 PolarHBondContact N-O 3.46Å; L1909-V1916 PolarHBondContact O-N 3.17Å; L1909-I1918 HydrophobicContact CB-CG1 4.46Å; L1909-I1918 HydrophobicContact CD1-CB 3.84Å; L1909-I1918 HydrophobicContact CD1-CG1 4.09Å; L1909-I1918 HydrophobicContact CD1-CG2 3.84Å; L1909-I1918 HydrophobicContact CG-CB 4.23Å; L1909-I1918 HydrophobicContact CG-CG1 4.47Å; L1909-E1930 HydrophobicContact CD1-CG 4.15Å
1910	L	82.7	Confident	83.2	Confident	14 Å²	14	51.3 Å²	51.3	7%	0.073	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	107.5	174.1	-178	73.7	0	0	0	110.8	C1885 I1888 P1889 K1890 S1914	C1885-L1910 HydrophobicContact CB-CD2 3.45Å; C1885-L1910 VanDerWaalsContact CB-CD2 3.45Å; C1885-L1910 VanDerWaalsContact SG-CD2 3.55Å; I1888-L1910 HydrophobicContact CB-CB 4.31Å; I1888-L1910 HydrophobicContact CG2-CB 3.79Å; P1889-L1910 PolarHBondContact O-N 3.32Å; K1890-L1910 HydrophobicContact CG-CB 4.28Å; K1890-L1910 HydrophobicContact CG-CD2 4.41Å; L1910-S1914 WeakPolarHBondContact CA-O 3.45Å
1911	I	82.6	Confident	83.6	Confident	7 Å²	7	45.9 Å²	45.9	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.7	-178.7	-55.4	168.7	0	0	0	108.4	L1909 Q1913 S1914 V1916 I1918 L2019 I2021 L2024 L2120	L1909-I1911 HydrophobicContact CB-CG1 4.4Å; I1911-Q1913 VanDerWaalsContact C-N 3.25Å; I1911-Q1913 PolarHBondContact O-N 3.41Å; I1911-Q1913 VanDerWaalsContact O-N 3.11Å; I1911-S1914 PolarHBondContact N-O 3.28Å; I1911-S1914 PolarHBondContact O-N 3.34Å; I1911-S1914 VanDerWaalsContact O-O 3.13Å; I1911-V1916 HydrophobicContact CD1-CB 4.39Å; I1911-I1918 HydrophobicContact CD1-CD1 4.07Å; I1911-I1918 HydrophobicContact CD1-CG1 3.87Å; I1911-L2019 HydrophobicContact CD1-CD2 4.38Å; I1911-I2021 HydrophobicContact CD1-CB 4.41Å; I1911-I2021 HydrophobicContact CD1-CG2 3.67Å; I1911-I2021 HydrophobicContact CG1-CG2 4.25Å; I1911-L2024 HydrophobicContact CG2-CD2 3.72Å; I1911-L2024 HydrophobicContact CG2-CG 4.45Å; I1911-L2120 WeakPolarHBondContact O-CD1 2.95Å
1912	E	73.9	Confident	84.1	Confident	133 Å²	133	43.7 Å²	43.7	62%	0.621	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	38.6	52.7	-177.2	-70.6	-167.8	153.3	0	0	113.4	S1914 L2024 L2120	E1912-S1914 PolarHBondContact O-N 2.99Å; E1912-S1914 VanDerWaalsContact O-N 3.09Å; E1912-L2024 HydrophobicContact CG-CD1 4.25Å; E1912-L2024 VanDerWaalsContact OE2-CD1 3.28Å; E1912-L2024 WeakPolarHBondContact OE2-CD1 3.48Å; E1912-L2120 HydrophobicContact CB-CD1 3.63Å
1913	Q	68.9	Low	84.5	Confident	77 Å²	77	43.6 Å²	43.6	36%	0.36	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	-8.9	-177.9	-44.9	-154.6	42.7	0	0	116.8	T1844 C1845 I1911	T1844-Q1913 WeakPolarHBondContact OG1-CB 3.18Å; T1844-Q1913 PolarHBondContact OG1-O 3.35Å; C1845-Q1913 HydrophobicContact CB-CG 4.25Å; I1911-Q1913 VanDerWaalsContact C-N 3.25Å; I1911-Q1913 PolarHBondContact O-N 3.41Å; I1911-Q1913 VanDerWaalsContact O-N 3.11Å
1914	S	67.1	Low	84.2	Confident	40 Å²	40	46.7 Å²	46.7	28%	0.28	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	145	177.7	-64.2	0	0	0	0	113.2	L1910 I1911 E1912	L1910-S1914 WeakPolarHBondContact CA-O 3.45Å; I1911-S1914 PolarHBondContact N-O 3.28Å; I1911-S1914 PolarHBondContact O-N 3.34Å; I1911-S1914 VanDerWaalsContact O-O 3.13Å; E1912-S1914 PolarHBondContact O-N 2.99Å; E1912-S1914 VanDerWaalsContact O-N 3.09Å
1915	L	78.8	Confident	84	Confident	51 Å²	51	46 Å²	46	27%	0.267	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	114.7	168.2	-89.5	164.3	0	0	0	109.6	R490 I1888 Q1908	R490-L1915 PolarHBondContact NH1-O 2.72Å; I1888-L1915 HydrophobicContact CD1-CD1 4.27Å; I1888-L1915 HydrophobicContact CD1-CD2 4.12Å; I1888-L1915 HydrophobicContact CD1-CG 4.35Å; I1888-L1915 HydrophobicContact CG2-CD2 3.83Å; Q1908-L1915 HydrophobicContact CB-CD2 4.01Å
1916	V	83.2	Confident	83.8	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.4	-172.3	-172.3	0	0	0	0	110.6	Q1908 L1909 I1911 F2070 L2120	Q1908-V1916 WeakPolarHBondContact CA-O 3.44Å; L1909-V1916 PolarHBondContact N-O 3.46Å; L1909-V1916 PolarHBondContact O-N 3.17Å; I1911-V1916 HydrophobicContact CD1-CB 4.39Å; V1916-F2070 HydrophobicContact CG1-CE2 3.59Å; V1916-F2070 HydrophobicContact CG1-CZ 3.67Å; V1916-L2120 HydrophobicContact CG2-CD2 3.67Å
1917	Y	86.9	Confident	83.7	Confident	60 Å²	60	50.7 Å²	50.7	24%	0.235	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.8	177.9	-75.3	-91.7	0	0	0	111.8	P488 T489 T1906 Y1907 Q1908	P488-Y1917 HydrophobicContact CB-CE1 4.06Å; P488-Y1917 HydrophobicContact CB-CE2 4.47Å; P488-Y1917 HydrophobicContact CG-CD1 4.05Å; P488-Y1917 HydrophobicContact CG-CE1 3.53Å; T489-Y1917 HydrophobicContact CG2-CE2 4.26Å; T489-Y1917 WeakPolarHBondContact OG1-CE2 3.48Å; T1906-Y1917 HydrophobicContact CG2-CD1 4.13Å; Y1907-Y1917 WeakPolarHBondContact O-CA 3.3Å; Q1908-Y1917 HydrophobicContact CG-CD1 4.18Å; Q1908-Y1917 HydrophobicContact CG-CD2 4.49Å; Q1908-Y1917 HydrophobicContact CG-CE1 3.57Å; Q1908-Y1917 HydrophobicContact CG-CE2 3.91Å; Q1908-Y1917 VanDerWaalsContact CG-CZ 3.48Å; Q1908-Y1917 PolarHBondContact NE2-OH 3.18Å
1918	I	90.8	Very high	83.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.8	-177.5	-64.6	-62.8	0	0	0	108.3	T1906 Y1907 L1909 I1911 E1930 I1932 L2019 F2070	T1906-I1918 WeakPolarHBondContact CA-O 3.34Å; Y1907-I1918 PolarHBondContact N-O 3.32Å; Y1907-I1918 PolarHBondContact O-N 2.8Å; L1909-I1918 HydrophobicContact CB-CG1 4.46Å; L1909-I1918 HydrophobicContact CD1-CB 3.84Å; L1909-I1918 HydrophobicContact CD1-CG1 4.09Å; L1909-I1918 HydrophobicContact CD1-CG2 3.84Å; L1909-I1918 HydrophobicContact CG-CB 4.23Å; L1909-I1918 HydrophobicContact CG-CG1 4.47Å; I1911-I1918 HydrophobicContact CD1-CD1 4.07Å; I1911-I1918 HydrophobicContact CD1-CG1 3.87Å; I1918-E1930 HydrophobicContact CG2-CB 3.55Å; I1918-E1930 HydrophobicContact CG2-CG 3.96Å; I1918-I1932 HydrophobicContact CD1-CG1 4.23Å; I1918-L2019 HydrophobicContact CD1-CD2 3.91Å; I1918-F2070 HydrophobicContact CD1-CE2 4.34Å; I1918-F2070 HydrophobicContact CD1-CZ 4.36Å
1919	Y	93.1	Very high	84.1	Confident	37 Å²	37	44.4 Å²	44.4	15%	0.145	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	117.3	170.2	-174.4	-92.1	0	0	0	109.6	D1904 G1905 A1921 Y1931 K2016 F2033	D1904-Y1919 PolarHBondContact O-OH 3.37Å; G1905-Y1919 VanDerWaalsContact C-CD2 3.5Å; G1905-Y1919 CarbonylContact O-C 3.4Å; G1905-Y1919 WeakPolarHBondContact O-CA 3.01Å; Y1919-A1921 HydrophobicContact CD1-CB 4.23Å; Y1919-A1921 HydrophobicContact CE1-CB 3.87Å; Y1919-Y1931 PolarHBondContact N-O 3.15Å; Y1919-Y1931 PolarHBondContact O-N 3.11Å; Y1919-K2016 HydrophobicContact CD1-CD 3.82Å; Y1919-K2016 HydrophobicContact CD2-CD 4.49Å; Y1919-K2016 VanDerWaalsContact CD2-NZ 3.26Å; Y1919-K2016 HydrophobicContact CE1-CD 4.47Å; Y1919-K2016 HydrophobicContact CG-CD 3.84Å; Y1919-K2016 VanDerWaalsContact CG-NZ 3.26Å; Y1919-F2033 HydrophobicContact CD1-CE2 4.22Å; Y1919-F2033 HydrophobicContact CD1-CZ 4.08Å; Y1919-F2033 HydrophobicContact CE1-CE1 4.29Å; Y1919-F2033 HydrophobicContact CE1-CE2 4.17Å; Y1919-F2033 AromaticContact CE1-CZ 3.59Å; Y1919-F2033 HydrophobicContact CE1-CZ 3.59Å
1920	C	93.9	Very high	84.5	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.2	170.4	-62.8	0	0	0	0	109.5	C1892 D1904 G1905 Y1907 M1923 S1929	C1892-C1920 HydrophobicContact CB-CB 3.75Å; C1892-C1920 WeakPolarHBondContact CB-SG 2.93Å; C1892-C1920 WeakPolarHBondContact SG-CA 3.15Å; C1892-C1920 WeakPolarHBondContact SG-CB 3.37Å; C1892-C1920 CovalentContact SG-SG 2.03Å; C1892-C1920 PolarHBondContact SG-SG 3.4Å; D1904-C1920 CarbonylContact C-O 3.46Å; D1904-C1920 WeakPolarHBondContact CA-O 3.37Å; G1905-C1920 PolarHBondContact N-O 3.11Å; G1905-C1920 VanDerWaalsContact N-O 3.12Å; G1905-C1920 PolarHBondContact O-N 3.18Å; Y1907-C1920 HydrophobicContact CD2-CB 3.96Å; Y1907-C1920 HydrophobicContact CE2-CB 4.21Å; C1920-M1923 HydrophobicContact CB-CG 3.84Å; C1920-M1923 HydrophobicContact CB-SD 3.62Å; C1920-S1929 CarbonylContact C-O 3.58Å; C1920-S1929 WeakPolarHBondContact CA-O 3.26Å
1921	A	89	Confident	85	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	159.9	171.4	0	0	0	0	0	111.3	D1904 Y1919 M1923 P1928 S1929 Y1931 F2033	D1904-A1921 VanDerWaalsContact OD2-CA 3.24Å; D1904-A1921 WeakPolarHBondContact OD2-CA 3.17Å; Y1919-A1921 HydrophobicContact CD1-CB 4.23Å; Y1919-A1921 HydrophobicContact CE1-CB 3.87Å; A1921-M1923 VanDerWaalsContact C-N 3.31Å; A1921-P1928 CarbonylContact O-C 3.51Å; A1921-P1928 WeakPolarHBondContact O-CA 3.22Å; A1921-P1928 WeakPolarHBondContact O-CB 3.42Å; A1921-S1929 PolarHBondContact N-O 3.05Å; A1921-S1929 PolarHBondContact O-N 2.94Å; A1921-Y1931 HydrophobicContact CB-CD2 4.03Å; A1921-Y1931 HydrophobicContact CB-CE2 3.72Å; A1921-F2033 HydrophobicContact CB-CE2 4.09Å; A1921-F2033 HydrophobicContact CB-CZ 4.12Å
1922	D	89.5	Confident	85.5	Confident	59 Å²	59	44.5 Å²	44.5	32%	0.316	23%	0.234	S	C	.	.			trans	55	41.5	-170.2	-54	-37.5	0	0	0	113.4	D1904 E1924 S1925 P1928 R2032	D1904-D1922 PolarHBondContact OD1-N 3.18Å; D1904-D1922 PolarHBondContact OD2-N 3.43Å; D1922-E1924 PolarHBondContact O-N 2.97Å; D1922-E1924 VanDerWaalsContact O-N 3.15Å; D1922-S1925 WeakPolarHBondContact O-CA 3.48Å; D1922-S1925 WeakPolarHBondContact O-CB 3.45Å; D1922-S1925 PolarHBondContact O-N 3.11Å; D1922-P1928 WeakPolarHBondContact O-CB 3.22Å; D1922-R2032 IonicContact OD1-CZ 3.54Å; D1922-R2032 VanDerWaalsContact OD1-CZ 3.22Å; D1922-R2032 IonicContact OD1-NH1 2.69Å; D1922-R2032 PolarHBondContact OD1-NH1 3.42Å; D1922-R2032 IonicContact OD1-NH2 3.91Å; D1922-R2032 PolarHBondContact OD1-NH2 2.9Å; D1922-R2032 IonicContact OD2-CZ 3.06Å; D1922-R2032 IonicContact OD2-NH1 2.83Å; D1922-R2032 PolarHBondContact OD2-NH1 2.67Å; D1922-R2032 IonicContact OD2-NH2 2.65Å
1923	M	88.7	Confident	86.2	Confident	8 Å²	8	40.8 Å²	40.8	4%	0.039	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-13.7	173.8	-70.4	-65.5	-71.2	0	0	113	C1892 L1895 K1896 A1902 D1903 D1904 C1920 A1921 P1928	C1892-M1923 HydrophobicContact CB-SD 4.18Å; L1895-M1923 HydrophobicContact CD2-CE 3.75Å; L1895-M1923 HydrophobicContact CG-CE 4.17Å; K1896-M1923 HydrophobicContact CB-CE 3.84Å; K1896-M1923 WeakPolarHBondContact CD-O 3.01Å; K1896-M1923 WeakPolarHBondContact CE-O 3.44Å; K1896-M1923 PolarHBondContact NZ-O 3.29Å; A1902-M1923 HydrophobicContact CB-CE 3.58Å; A1902-M1923 VanDerWaalsContact O-CB 3.23Å; A1902-M1923 WeakPolarHBondContact O-CB 3.15Å; A1902-M1923 VanDerWaalsContact O-CE 3.26Å; A1902-M1923 WeakPolarHBondContact O-CE 3.5Å; D1903-M1923 WeakPolarHBondContact O-CG 3.42Å; D1904-M1923 PolarHBondContact OD1-N 3.36Å; C1920-M1923 HydrophobicContact CB-CG 3.84Å; C1920-M1923 HydrophobicContact CB-SD 3.62Å; A1921-M1923 VanDerWaalsContact C-N 3.31Å; M1923-P1928 HydrophobicContact CG-CB 4.38Å; M1923-P1928 HydrophobicContact SD-CB 3.52Å; M1923-P1928 VanDerWaalsContact SD-CB 3.52Å; M1923-P1928 HydrophobicContact SD-CG 3.79Å
1924	E	81.6	Confident	87.1	Confident	188 Å²	188	38 Å²	38	88%	0.879	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-31.6	163.6	-64	-172.3	169.2	0	0	113.1	K1896 D1922	K1896-E1924 PolarHBondContact NZ-O 2.79Å; D1922-E1924 PolarHBondContact O-N 2.97Å; D1922-E1924 VanDerWaalsContact O-N 3.15Å
1925	S	84.4	Confident	87.6	Confident	48 Å²	48	42.3 Å²	42.3	34%	0.336	22%	0.218	S	C	.	.	S	Bend	trans	-68.6	157.8	-180	-178.7	0	0	0	0	113.1	K1896 D1922 N1927	K1896-S1925 WeakPolarHBondContact CD-O 3.1Å; K1896-S1925 PolarHBondContact NZ-O 3.17Å; D1922-S1925 WeakPolarHBondContact O-CA 3.48Å; D1922-S1925 WeakPolarHBondContact O-CB 3.45Å; D1922-S1925 PolarHBondContact O-N 3.11Å; S1925-N1927 PolarHBondContact O-N 2.72Å; S1925-N1927 PolarHBondContact OG-N 3.27Å
1926	S	79.6	Confident	87.7	Confident	106 Å²	106	43.7 Å²	43.7	74%	0.741	22%	0.224	S	C	*	.	S	Bend	trans	-69.3	-15.7	173.5	57.4	0	0	0	0	113.4
1927	N	84.5	Confident	87.4	Confident	83 Å²	83	47.2 Å²	47.2	44%	0.444	24%	0.242	S	C	.	.	S	Bend	trans	-141.2	73.4	-177.7	-159.9	75.4	0	0	0	110.2	R1893 S1925	R1893-N1927 WeakPolarHBondContact CD-OD1 3.49Å; R1893-N1927 PolarHBondContact NH1-OD1 3.36Å; S1925-N1927 PolarHBondContact O-N 2.72Å; S1925-N1927 PolarHBondContact OG-N 3.27Å
1928	P	89.7	Confident	87.4	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.231	C	C	.	.			trans	-62.5	162.4	-178.1	27.6	-37.4	0	0	0	112.7	C1892 R1893 K1896 A1921 D1922 M1923	C1892-P1928 VanDerWaalsContact C-CG 3.46Å; C1892-P1928 HydrophobicContact CB-CB 3.97Å; C1892-P1928 HydrophobicContact CB-CG 3.84Å; C1892-P1928 WeakPolarHBondContact O-CG 3.18Å; R1893-P1928 HydrophobicContact CB-CG 4.32Å; K1896-P1928 HydrophobicContact CB-CG 4.45Å; A1921-P1928 CarbonylContact O-C 3.51Å; A1921-P1928 WeakPolarHBondContact O-CA 3.22Å; A1921-P1928 WeakPolarHBondContact O-CB 3.42Å; D1922-P1928 WeakPolarHBondContact O-CB 3.22Å; M1923-P1928 HydrophobicContact CG-CB 4.38Å; M1923-P1928 HydrophobicContact SD-CB 3.52Å; M1923-P1928 VanDerWaalsContact SD-CB 3.52Å; M1923-P1928 HydrophobicContact SD-CG 3.79Å
1929	S	91.6	Very high	87.4	Confident	19 Å²	19	46 Å²	46	13%	0.133	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.4	-166.5	-81.2	0	0	0	0	115.1	C1920 A1921 Y1931 R2018	C1920-S1929 CarbonylContact C-O 3.58Å; C1920-S1929 WeakPolarHBondContact CA-O 3.26Å; A1921-S1929 PolarHBondContact N-O 3.05Å; A1921-S1929 PolarHBondContact O-N 2.94Å; S1929-Y1931 WeakPolarHBondContact O-CD2 3.48Å; S1929-R2018 VanDerWaalsContact CA-NH2 3.31Å; S1929-R2018 VanDerWaalsContact CB-NE 3.26Å; S1929-R2018 PolarHBondContact OG-NE 3.33Å; S1929-R2018 VanDerWaalsContact OG-NE 3.13Å; S1929-R2018 PolarHBondContact OG-NH2 2.83Å
1930	E	93.6	Very high	87.2	Confident	12 Å²	12	44.2 Å²	44.2	6%	0.056	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	122.4	178.4	-58.5	75.7	-167.2	0	0	113.3	C1892 L1909 I1918 R2018 L2019 I2021	C1892-E1930 HydrophobicContact CB-CG 4.3Å; C1892-E1930 PolarHBondContact N-OE1 2.91Å; L1909-E1930 HydrophobicContact CD1-CG 4.15Å; I1918-E1930 HydrophobicContact CG2-CB 3.55Å; I1918-E1930 HydrophobicContact CG2-CG 3.96Å; E1930-R2018 VanDerWaalsContact N-CZ 3.34Å; E1930-R2018 WeakPolarHBondContact O-CD 3.24Å; E1930-R2018 PolarHBondContact O-NH1 3.25Å; E1930-R2018 IonicContact OE2-CZ 2.66Å; E1930-R2018 IonicContact OE2-NH1 3.44Å; E1930-R2018 PolarHBondContact OE2-NH1 2.98Å; E1930-R2018 IonicContact OE2-NH2 2.66Å; E1930-R2018 PolarHBondContact OE2-NH2 2.69Å; E1930-L2019 PolarHBondContact O-N 2.83Å; E1930-I2021 HydrophobicContact CB-CG2 3.95Å; E1930-I2021 HydrophobicContact CG-CD1 3.99Å; E1930-I2021 HydrophobicContact CG-CG1 4.16Å; E1930-I2021 HydrophobicContact CG-CG2 3.7Å
1931	Y	94.2	Very high	86.7	Confident	5 Å²	5	44.3 Å²	44.3	2%	0.02	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	143	174.4	-63.9	-98.6	0	0	0	112.3	Y1919 A1921 S1929 K2016 V2017 R2018 D2030 R2032 F2033	Y1919-Y1931 PolarHBondContact N-O 3.15Å; Y1919-Y1931 PolarHBondContact O-N 3.11Å; A1921-Y1931 HydrophobicContact CB-CD2 4.03Å; A1921-Y1931 HydrophobicContact CB-CE2 3.72Å; S1929-Y1931 WeakPolarHBondContact O-CD2 3.48Å; Y1931-K2016 HydrophobicContact CD1-CB 4.47Å; Y1931-V2017 CarbonylContact C-O 3.41Å; Y1931-V2017 VanDerWaalsContact CA-O 3.29Å; Y1931-V2017 WeakPolarHBondContact CA-O 3.14Å; Y1931-R2018 HydrophobicContact CD1-CB 3.9Å; Y1931-R2018 HydrophobicContact CE1-CB 3.67Å; Y1931-R2018 HydrophobicContact CE1-CG 4.31Å; Y1931-D2030 VanDerWaalsContact CE1-OD2 3.27Å; Y1931-D2030 WeakPolarHBondContact CE1-OD2 3.39Å; Y1931-D2030 VanDerWaalsContact CZ-OD2 3.27Å; Y1931-D2030 PolarHBondContact OH-OD1 3.14Å; Y1931-D2030 PolarHBondContact OH-OD2 3.06Å; Y1931-R2032 HydrophobicContact CE1-CB 4.39Å; Y1931-R2032 VanDerWaalsContact OH-CD 3.3Å; Y1931-R2032 WeakPolarHBondContact OH-CD 3.47Å; Y1931-F2033 AromaticContact CD1-CD2 3.62Å; Y1931-F2033 HydrophobicContact CD1-CD2 3.62Å; Y1931-F2033 HydrophobicContact CD1-CE2 4.04Å; Y1931-F2033 HydrophobicContact CD2-CD2 4.25Å; Y1931-F2033 AromaticContact CD2-CE2 3.81Å; Y1931-F2033 HydrophobicContact CD2-CE2 3.81Å; Y1931-F2033 AromaticContact CE1-CD2 3.7Å; Y1931-F2033 HydrophobicContact CE1-CD2 3.7Å; Y1931-F2033 HydrophobicContact CE1-CE2 4.03Å; Y1931-F2033 HydrophobicContact CE2-CD2 4.31Å; Y1931-F2033 AromaticContact CE2-CE2 3.79Å; Y1931-F2033 HydrophobicContact CE2-CE2 3.79Å; Y1931-F2033 AromaticContact CG-CD2 3.93Å; Y1931-F2033 HydrophobicContact CG-CD2 3.93Å; Y1931-F2033 AromaticContact CG-CE2 3.96Å; Y1931-F2033 HydrophobicContact CG-CE2 3.96Å; Y1931-F2033 AromaticContact CZ-CE2 3.92Å
1932	I	92.1	Very high	85.8	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124.9	167.5	-58.7	168.5	0	0	0	108.4	I1918 L1934 K2016 V2017 L2019 T2068 F2070 L2118	I1918-I1932 HydrophobicContact CD1-CG1 4.23Å; I1932-L1934 HydrophobicContact CG2-CD2 4.48Å; I1932-K2016 CarbonylContact O-C 3.58Å; I1932-K2016 WeakPolarHBondContact O-CA 3.18Å; I1932-K2016 WeakPolarHBondContact O-CB 3.46Å; I1932-V2017 PolarHBondContact N-O 2.94Å; I1932-V2017 PolarHBondContact O-N 2.93Å; I1932-L2019 HydrophobicContact CD1-CB 4.13Å; I1932-L2019 HydrophobicContact CD1-CD1 4.19Å; I1932-L2019 HydrophobicContact CD1-CD2 4.05Å; I1932-L2019 HydrophobicContact CD1-CG 4.35Å; I1932-L2019 HydrophobicContact CG1-CB 4.04Å; I1932-L2019 HydrophobicContact CG1-CD2 4.09Å; I1932-T2068 HydrophobicContact CG2-CG2 3.98Å; I1932-F2070 HydrophobicContact CD1-CD2 3.68Å; I1932-F2070 HydrophobicContact CD1-CE2 3.66Å; I1932-F2070 HydrophobicContact CD1-CG 4.29Å; I1932-F2070 HydrophobicContact CD1-CZ 4.25Å; I1932-F2070 HydrophobicContact CG1-CD2 4.13Å; I1932-F2070 HydrophobicContact CG1-CE2 3.75Å; I1932-F2070 HydrophobicContact CG1-CZ 4.47Å; I1932-F2070 HydrophobicContact CG2-CD2 4.3Å; I1932-F2070 HydrophobicContact CG2-CE2 4.48Å; I1932-L2118 HydrophobicContact CD1-CD1 3.29Å
1933	T	89.9	Confident	84.4	Confident	56 Å²	56	41.9 Å²	41.9	34%	0.344	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	126.5	171.2	-56.4	0	0	0	0	110.3
1934	L	87.2	Confident	82.5	Confident	19 Å²	19	45 Å²	45	10%	0.099	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-94.3	141.5	-178.3	-62.8	168.9	0	0	0	110.4	I1932 N1938 Y2014 N2015 V2017 Y2044 L2065	I1932-L1934 HydrophobicContact CG2-CD2 4.48Å; L1934-N1938 HydrophobicContact CD1-CB 3.8Å; L1934-Y2014 WeakPolarHBondContact CD1-O 3.39Å; L1934-N2015 PolarHBondContact N-O 3.1Å; L1934-V2017 HydrophobicContact CD1-CB 4.49Å; L1934-V2017 HydrophobicContact CD1-CG2 3.6Å; L1934-V2017 HydrophobicContact CG-CG2 4.49Å; L1934-Y2044 HydrophobicContact CD1-CE2 4.03Å; L1934-L2065 HydrophobicContact CD2-CD2 3.85Å
1935	R	76.8	Confident	80.4	Confident	130 Å²	130	43 Å²	43	49%	0.491	22%	0.221	S	C	.	.	S	Bend	trans	-111.4	5.4	-177.4	-66.6	-169.7	-179.5	171.4	6.1	114	P488	P488-R1935 PolarHBondContact O-NH2 3.42Å
1936	Q	82	Confident	78	Confident	80 Å²	80	44.8 Å²	44.8	37%	0.374	23%	0.227	S	C	.	.	S	Bend	trans	-142.9	154.5	-175.7	-63.6	-71.2	-92.1	0	0	108.2	N1938 D2064 R2066	Q1936-N1938 PolarHBondContact O-N 3.13Å; Q1936-N1938 VanDerWaalsContact O-N 3.09Å; Q1936-N1938 PolarHBondContact O-ND2 2.92Å; Q1936-D2064 HydrophobicContact CB-CB 3.8Å; Q1936-D2064 VanDerWaalsContact CB-CG 3.41Å; Q1936-D2064 VanDerWaalsContact CB-OD2 3.3Å; Q1936-D2064 WeakPolarHBondContact CB-OD2 3.48Å; Q1936-D2064 WeakPolarHBondContact CG-OD2 3.49Å; Q1936-R2066 HydrophobicContact CG-CB 4.43Å
1937	I	75.8	Confident	75.7	Confident	76 Å²	76	48.6 Å²	48.6	39%	0.39	23%	0.233	S	C	.	.			trans	-61.2	116.7	-179.1	-55.9	177.2	0	0	0	110.1	Y1939 F2013 Q2062	I1937-Y1939 HydrophobicContact CG2-CD1 4.33Å; I1937-F2013 HydrophobicContact CG2-CD1 4.17Å; I1937-F2013 HydrophobicContact CG2-CE1 4.3Å; I1937-Q2062 PolarHBondContact O-NE2 2.82Å
1938	N	88.3	Confident	72.9	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.011	24%	0.243	C	C	.	.			trans	-117.4	135.6	174.5	-80.9	-114.2	0	0	0	109.1	L1934 Q1936 F2013 Y2014 Y2044 Q2062 I2063 D2064	L1934-N1938 HydrophobicContact CD1-CB 3.8Å; Q1936-N1938 PolarHBondContact O-N 3.13Å; Q1936-N1938 VanDerWaalsContact O-N 3.09Å; Q1936-N1938 PolarHBondContact O-ND2 2.92Å; N1938-F2013 WeakPolarHBondContact O-CA 3.37Å; N1938-Y2014 PolarHBondContact O-N 2.9Å; N1938-Y2044 HydrophobicContact CB-CE2 3.92Å; N1938-Y2044 WeakPolarHBondContact OD1-CE2 3.29Å; N1938-Y2044 PolarHBondContact OD1-OH 2.7Å; N1938-Q2062 WeakPolarHBondContact CA-O 2.92Å; N1938-I2063 WeakPolarHBondContact OD1-CA 3.19Å; N1938-D2064 PolarHBondContact ND2-O 3.38Å; N1938-D2064 PolarHBondContact OD1-N 3.25Å
1939	Y	89	Confident	69.9	Low	32 Å²	32	56.3 Å²	56.3	13%	0.125	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	162.2	178.9	67.7	-88.4	0	0	0	113.1	I1937 T2012 K2060 F2061 Q2062	I1937-Y1939 HydrophobicContact CG2-CD1 4.33Å; Y1939-T2012 CarbonylContact C-O 3.39Å; Y1939-T2012 WeakPolarHBondContact CA-O 3.37Å; Y1939-K2060 HydrophobicContact CE2-CB 4.01Å; Y1939-F2061 CarbonylContact O-C 3.42Å; Y1939-F2061 WeakPolarHBondContact O-CA 2.94Å; Y1939-F2061 WeakPolarHBondContact O-CB 3.17Å; Y1939-Q2062 HydrophobicContact CD1-CB 3.9Å; Y1939-Q2062 HydrophobicContact CE1-CB 3.57Å; Y1939-Q2062 PolarHBondContact N-O 2.9Å; Y1939-Q2062 PolarHBondContact O-N 2.89Å
1940	A	89.1	Confident	66.9	Low	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	137.5	171.6	0	0	0	0	0	109.2	K2011 T2012 Y2014 M2042 P2043 T2046 K2060 F2061	A1940-K2011 CarbonylContact O-C 3.51Å; A1940-K2011 WeakPolarHBondContact O-CA 3.45Å; A1940-T2012 PolarHBondContact N-O 2.75Å; A1940-T2012 PolarHBondContact O-N 3.01Å; A1940-Y2014 HydrophobicContact CB-CE2 4.29Å; A1940-M2042 HydrophobicContact CB-CB 3.88Å; A1940-M2042 WeakPolarHBondContact CB-O 3.45Å; A1940-P2043 WeakPolarHBondContact CB-O 3.5Å; A1940-T2046 VanDerWaalsContact CB-O 3.26Å; A1940-T2046 WeakPolarHBondContact CB-O 3.29Å; A1940-K2060 CarbonylContact C-O 3.36Å; A1940-F2061 HydrophobicContact CB-CB 4.35Å
1941	A	83.1	Confident	63.9	Low	2 Å²	2	64.4 Å²	64.4	2%	0.017	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	144.2	-174.9	0	0	0	0	0	113.4	S2010 K2011 G2059 K2060	A1941-S2010 CarbonylContact C-O 3.57Å; A1941-S2010 VanDerWaalsContact CA-O 3.24Å; A1941-S2010 WeakPolarHBondContact CA-O 3.43Å; A1941-K2011 HydrophobicContact CB-CB 4.14Å; A1941-K2011 HydrophobicContact CB-CD 4.41Å; A1941-K2011 HydrophobicContact CB-CG 3.99Å; A1941-G2059 WeakPolarHBondContact O-CA 3.13Å; A1941-K2060 VanDerWaalsContact CB-O 3.32Å; A1941-K2060 WeakPolarHBondContact CB-O 3.24Å; A1941-K2060 PolarHBondContact N-O 3.39Å; A1941-K2060 PolarHBondContact O-N 3.02Å
1942	S	71.2	Confident	60.9	Low	1 Å²	1	70.1 Å²	70.1	1%	0.007	35%	0.346	C	S	.	.	S	Bend	trans	-93.1	-11.1	174	55.6	0	0	0	0	115.1	L2008 V2009 S2010 K2048 D2049	S1942-L2008 VanDerWaalsContact CB-O 3.3Å; S1942-L2008 WeakPolarHBondContact CB-O 3.33Å; S1942-L2008 PolarHBondContact OG-O 2.99Å; S1942-V2009 WeakPolarHBondContact OG-CA 3.12Å; S1942-S2010 PolarHBondContact N-O 3.13Å; S1942-S2010 PolarHBondContact OG-N 3.19Å; S1942-S2010 PolarHBondContact OG-O 3.12Å; S1942-K2048 CarbonylContact C-O 3.54Å; S1942-K2048 WeakPolarHBondContact CA-O 3.32Å; S1942-K2048 CarbonylContact O-C 3.57Å; S1942-D2049 WeakPolarHBondContact O-CA 3.26Å
1943	S	60.3	Low	58	Low	7 Å²	7	77.8 Å²	77.8	5%	0.049	39%	0.387	C	S	.	.	S	Bend	trans	178.7	175.5	162.6	51.5	0	0	0	0	107.9	V2009 F2051	S1943-V2009 WeakPolarHBondContact OG-CG1 3.41Å; S1943-F2051 VanDerWaalsContact OG-CD2 3.32Å; S1943-F2051 WeakPolarHBondContact OG-CD2 3.3Å; S1943-F2051 WeakPolarHBondContact OG-CE2 3.05Å
1944	E	48.8	Very low	55.5	Low	72 Å²	72	81.8 Å²	81.8	34%	0.336	40%	0.396	S	S	.	.			trans	-95.5	130.1	173	-153.5	114.7	-119.5	0	0	109.1	L1946 K2011 K2060	E1944-L1946 PolarHBondContact O-N 3.27Å; E1944-L1946 VanDerWaalsContact O-N 3.11Å; E1944-K2011 IonicContact OE1-NZ 2.62Å; E1944-K2011 PolarHBondContact OE1-NZ 2.96Å; E1944-K2060 WeakPolarHBondContact OE2-CD 3.03Å; E1944-K2060 IonicContact OE2-NZ 3.86Å; E1944-K2060 PolarHBondContact OE2-NZ 3.31Å
1945	F	36.6	Very low	53.1	Low	147 Å²	147	82.9 Å²	82.9	65%	0.645	41%	0.405	S	S	*	.	S	Bend	trans	-72.9	4.3	178	-132.4	-69.5	0	0	0	112.9	V2009	F1945-V2009 HydrophobicContact CB-CG1 4.36Å; F1945-V2009 HydrophobicContact CD2-CB 3.85Å; F1945-V2009 HydrophobicContact CD2-CG1 3.33Å; F1945-V2009 HydrophobicContact CE2-CB 3.81Å; F1945-V2009 HydrophobicContact CE2-CG1 3.86Å; F1945-V2009 HydrophobicContact CE2-CG2 4.37Å; F1945-V2009 HydrophobicContact CG-CG1 4.09Å
1946	L	34.6	Very low	51.1	Low	85 Å²	85	79.9 Å²	79.9	45%	0.445	40%	0.402	S	S	.	.	S	Bend	trans	-138.1	143.4	-172.2	-71.6	166.3	0	0	0	110.6	Q523 E1944	Q523-L1946 HydrophobicContact CB-CD1 4.25Å; Q523-L1946 HydrophobicContact CB-CD2 3.89Å; Q523-L1946 HydrophobicContact CG-CD1 4.1Å; Q523-L1946 HydrophobicContact CG-CD2 4.39Å; Q523-L1946 WeakPolarHBondContact O-CD1 3.18Å; E1944-L1946 PolarHBondContact O-N 3.27Å; E1944-L1946 VanDerWaalsContact O-N 3.11Å
1947	Q	30.8	Very low	48.6	Very low	186 Å²	186	80.2 Å²	80.2	87%	0.869	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-64.3	150.4	173.7	-70	168.2	-66.1	0	0	110.8
1948	P	26	Very low	46.5	Very low	103 Å²	103	80 Å²	80	67%	0.669	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-67.8	141.6	171.9	30.1	-34.5	0	0	0	110.9
1949	Y	27	Very low	43.5	Very low	144 Å²	144	83.2 Å²	83.2	57%	0.565	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-61.4	147.2	157	-106.5	-80.6	0	0	0	109.7	Y524 D1951	Y524-Y1949 AromaticContact CE1-CE2 3.57Å; Y524-Y1949 HydrophobicContact CE1-CE2 3.57Å; Y524-Y1949 AromaticContact CE1-CZ 3.89Å; Y524-Y1949 WeakPolarHBondContact CE1-OH 3.01Å; Y524-Y1949 AromaticContact CZ-CE2 3.74Å; Y524-Y1949 WeakPolarHBondContact OH-CE2 3.25Å; Y524-Y1949 VanDerWaalsContact OH-CZ 3.3Å; Y524-Y1949 PolarHBondContact OH-OH 3.48Å; Y1949-D1951 VanDerWaalsContact C-N 3.26Å; Y1949-D1951 PolarHBondContact O-N 3Å; Y1949-D1951 VanDerWaalsContact O-N 3.15Å
1950	P	28.3	Very low	40.7	Very low	73 Å²	73	86.7 Å²	86.7	47%	0.474	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.9	-172.2	-26.7	37.1	0	0	0	116.2	L1952	P1950-L1952 VanDerWaalsContact C-N 3.25Å; P1950-L1952 PolarHBondContact O-N 3.14Å
1951	D	30.7	Very low	37.7	Very low	127 Å²	127	88.4 Å²	88.4	68%	0.679	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	7.9	-168.3	-79	-52	0	0	0	117.6	Y1949	Y1949-D1951 VanDerWaalsContact C-N 3.26Å; Y1949-D1951 PolarHBondContact O-N 3Å; Y1949-D1951 VanDerWaalsContact O-N 3.15Å
1952	L	31.2	Very low	35.1	Very low	126 Å²	126	91.5 Å²	91.5	66%	0.66	48%	0.483	S	S	*	.			trans	-136.6	103.3	176.3	-85.1	100.4	0	0	0	114.9	P1950 W1954	P1950-L1952 VanDerWaalsContact C-N 3.25Å; P1950-L1952 PolarHBondContact O-N 3.14Å; L1952-W1954 VanDerWaalsContact C-N 3.27Å; L1952-W1954 PolarHBondContact O-N 2.79Å
1953	N	32.1	Very low	32.9	Very low	165 Å²	165	95.9 Å²	95.9	88%	0.882	51%	0.514	S	S	*	.			trans	-59.9	51.9	-179	-65.8	-40.6	0	0	0	117.2
1954	W	35.9	Very low	31.4	Very low	140 Å²	140	103.9 Å²	103.9	53%	0.53	55%	0.552	S	S	.	*			trans	-124.1	13.6	-170.8	-78.4	47	0	0	0	115.5	L1952 Y2100 R2102	L1952-W1954 VanDerWaalsContact C-N 3.27Å; L1952-W1954 PolarHBondContact O-N 2.79Å; W1954-Y2100 HydrophobicContact CZ3-CE1 4.42Å; W1954-R2102 VanDerWaalsContact CE3-CZ 3.42Å
1955	C	37.2	Very low	30.3	Very low	42 Å²	42	108.8 Å²	108.8	28%	0.284	57%	0.573	S	S	.	*			trans	-160.6	124.3	173.6	-105.7	0	0	0	0	111.3	C2056	C1955-C2056 HydrophobicContact CB-CB 4.09Å; C1955-C2056 WeakPolarHBondContact CB-SG 3.32Å; C1955-C2056 WeakPolarHBondContact SG-CA 3.45Å; C1955-C2056 WeakPolarHBondContact SG-CB 3.49Å; C1955-C2056 CovalentContact SG-SG 2.04Å; C1955-C2056 PolarHBondContact SG-SG 3.44Å
1956	P	35.5	Very low	30	Very low	67 Å²	67	110 Å²	110	44%	0.435	59%	0.586	S	S	.	*			trans	-78.5	141.9	176.2	30.2	-34.4	0	0	0	112.8	V2055	P1956-V2055 HydrophobicContact CG-CB 4.38Å; P1956-V2055 HydrophobicContact CG-CG1 3.7Å
1957	P	28.6	Very low	29.5	Very low	87 Å²	87	113.2 Å²	113.2	57%	0.565	60%	0.602	S	S	*	*			trans	-74.2	139.7	176.1	29.5	-33.7	0	0	0	112.4	Q1446 N1959	Q1446-P1957 VanDerWaalsContact NE2-CG 3.31Å; P1957-N1959 PolarHBondContact O-N 2.97Å
1958	V	31.2	Very low	29.2	Very low	71 Å²	71	108.2 Å²	108.2	43%	0.43	59%	0.588	S	S	.	*			trans	-96.1	88.6	-176.7	-177.3	0	0	0	0	111.1	Q1960 N1998	V1958-Q1960 HydrophobicContact CG1-CG 4.16Å; V1958-Q1960 PolarHBondContact O-N 3Å; V1958-N1998 WeakPolarHBondContact CB-OD1 3.13Å; V1958-N1998 WeakPolarHBondContact CG1-OD1 3.26Å
1959	N	26.9	Very low	29	Very low	70 Å²	70	111.6 Å²	111.6	37%	0.374	59%	0.592	S	S	.	*			trans	-85.8	77.6	173.5	-92.1	-31.8	0	0	0	112	Q1443 N1444 P1957 N1961	Q1443-N1959 PolarHBondContact O-ND2 2.85Å; N1444-N1959 WeakPolarHBondContact OD1-CB 3.2Å; P1957-N1959 PolarHBondContact O-N 2.97Å; N1959-N1961 PolarHBondContact O-N 3.31Å; N1959-N1961 VanDerWaalsContact O-N 3.12Å
1960	Q	30.2	Very low	28.9	Very low	105 Å²	105	111.7 Å²	111.7	49%	0.491	60%	0.602	S	S	.	*			trans	-81.2	87.9	168.2	-69.7	-162.9	16.9	0	0	112.3	V1958 A1962 V1997	V1958-Q1960 HydrophobicContact CG1-CG 4.16Å; V1958-Q1960 PolarHBondContact O-N 3Å; Q1960-A1962 PolarHBondContact O-N 3.26Å; Q1960-V1997 HydrophobicContact CB-CG1 3.8Å; Q1960-V1997 HydrophobicContact CG-CG1 4.4Å; Q1960-V1997 PolarHBondContact NE2-O 3.35Å; Q1960-V1997 VanDerWaalsContact NE2-O 3.1Å
1961	N	25.2	Very low	28.7	Very low	36 Å²	36	115.6 Å²	115.6	19%	0.193	62%	0.616	C	S	.	*			trans	-88.7	84.1	158.6	-93.2	-60.7	0	0	0	110.8	K1383 Y1385 K1440 N1444 N1959	K1383-N1961 PolarHBondContact NZ-O 3.41Å; Y1385-N1961 VanDerWaalsContact OH-CB 3.24Å; Y1385-N1961 WeakPolarHBondContact OH-CB 3.49Å; K1440-N1961 VanDerWaalsContact CE-CG 3.4Å; K1440-N1961 WeakPolarHBondContact CE-OD1 3.47Å; K1440-N1961 PolarHBondContact NZ-OD1 2.86Å; N1444-N1961 PolarHBondContact ND2-ND2 2.77Å; N1959-N1961 PolarHBondContact O-N 3.31Å; N1959-N1961 VanDerWaalsContact O-N 3.12Å
1962	A	28	Very low	28.5	Very low	68 Å²	68	119.3 Å²	119.3	56%	0.562	62%	0.622	S	S	*	*			trans	-117.2	53.3	179	0	0	0	0	0	113.5	Q1960	Q1960-A1962 PolarHBondContact O-N 3.26Å
1963	S	26.3	Very low	28.4	Very low	93 Å²	93	121.1 Å²	121.1	65%	0.65	63%	0.627	S	S	*	*			trans	42.3	84.7	134.5	57.2	0	0	0	0	118.8
1964	M	28.9	Very low	28.4	Very low	175 Å²	175	118.2 Å²	118.2	86%	0.862	62%	0.617	S	S	*	*			trans	-137.1	121.3	141.3	-80.1	-145.3	-175.4	0	0	112.7
1965	F	25.7	Very low	27.9	Very low	175 Å²	175	117.9 Å²	117.9	77%	0.768	63%	0.626	S	S	*	*			trans	33.7	123	146	-67	-84.6	0	0	0	122.4	I1967	F1965-I1967 HydrophobicContact CB-CG1 4.1Å; F1965-I1967 PolarHBondContact O-N 3.3Å
1966	N	29.1	Very low	27.5	Very low	172 Å²	172	120.1 Å²	120.1	92%	0.92	64%	0.642	S	S	*	*			trans	-48.9	104	136.2	-75.2	-40.4	0	0	0	110.6
1967	I	25.2	Very low	27	Very low	152 Å²	152	123.9 Å²	123.9	78%	0.779	66%	0.659	S	S	*	*			trans	-116.9	105	155.1	-67.2	-174.1	0	0	0	108.5	F1965	F1965-I1967 HydrophobicContact CB-CG1 4.1Å; F1965-I1967 PolarHBondContact O-N 3.3Å
1968	S	23.9	Very low	26.9	Very low	82 Å²	82	127.1 Å²	127.1	57%	0.573	67%	0.67	S	S	*	*			trans	-69.5	163.4	166.2	67	0	0	0	0	111.7
1969	K	22.4	Very low	26.5	Very low	174 Å²	174	130.8 Å²	130.8	76%	0.757	69%	0.687	S	S	*	*			trans	80.2	119.6	151.3	-67.2	164.7	-176.3	172.1	0	118.8
1970	N	23.6	Very low	26.6	Very low	146 Å²	146	131.9 Å²	131.9	78%	0.781	70%	0.701	S	S	*	*			trans	89	151.8	140	-55.2	-10.7	0	0	0	118.9
1971	M	24.5	Very low	26.8	Very low	155 Å²	155	131.4 Å²	131.4	76%	0.764	71%	0.709	S	S	*	*			trans	72.6	111.2	173.5	-61.1	174.5	133.3	0	0	114.7
1972	Y	26	Very low	27	Very low	205 Å²	205	138.7 Å²	138.7	80%	0.804	74%	0.739	S	S	*	*			cis	-136.9	151.3	4.1	-100.9	-82.6	0	0	0	113.9
1973	Q	30.6	Very low	27.4	Very low	163 Å²	163	143.2 Å²	143.2	76%	0.762	75%	0.754	S	S	*	*			trans	-70.3	168.7	164.9	-99.2	-177.7	-17.8	0	0	111.5
1974	P	30.8	Very low	27.5	Very low	104 Å²	104	146.5 Å²	146.5	68%	0.675	76%	0.762	S	S	*	*			cis	-134	165.2	25.7	43.1	-27.5	0	0	0	117.4
1975	N	26.9	Very low	27.5	Very low	133 Å²	133	143.3 Å²	143.3	71%	0.711	76%	0.755	S	S	*	*			trans	45.2	138.6	137.2	-61.6	-0.1	0	0	0	120.3
1976	S	28.3	Very low	28.2	Very low	89 Å²	89	144.9 Å²	144.9	62%	0.622	76%	0.764	S	S	*	*			cis	-179	159.7	3.5	41.7	0	0	0	0	109.2
1977	N	25.9	Very low	28.2	Very low	147 Å²	147	140.9 Å²	140.9	79%	0.786	75%	0.749	S	S	*	*			trans	66	149.3	170.7	-57.9	-15.2	0	0	0	113
1978	L	25.3	Very low	28.3	Very low	155 Å²	155	140.2 Å²	140.2	81%	0.812	74%	0.741	S	S	*	*			cis	150.8	139.4	-5.3	-149.2	75.6	0	0	0	102.2
1979	D	23.5	Very low	28.6	Very low	147 Å²	147	142.1 Å²	142.1	79%	0.786	74%	0.744	S	S	*	*			trans	84.6	146.3	163.5	-120.9	-33.4	0	0	0	122
1980	S	27.7	Very low	28.8	Very low	94 Å²	94	138.2 Å²	138.2	66%	0.657	74%	0.735	S	S	*	*			trans	38.3	77.7	158.4	67.7	0	0	0	0	121.1
1981	S	35.4	Very low	28.9	Very low	95 Å²	95	132.6 Å²	132.6	66%	0.664	71%	0.707	S	S	*	*	S	Bend	trans	50.1	126.3	135	67.6	0	0	0	0	121.1
1982	K	30.2	Very low	28.9	Very low	189 Å²	189	130.8 Å²	130.8	82%	0.822	70%	0.699	S	S	*	*			trans	76.9	113.4	178.2	-45.6	150.1	-173.2	170.6	0	112
1983	D	34.8	Very low	28.8	Very low	163 Å²	163	123.9 Å²	123.9	87%	0.872	67%	0.673	S	S	*	*			trans	168.8	123.6	142.1	-87.8	-12.8	0	0	0	109.5
1984	I	28.5	Very low	28.6	Very low	162 Å²	162	116.9 Å²	116.9	83%	0.831	64%	0.642	S	S	*	*			trans	-140.5	134.3	166.9	-62.5	-176.3	0	0	0	106.6
1985	P	29.7	Very low	28.5	Very low	108 Å²	108	116.5 Å²	116.5	70%	0.701	63%	0.634	S	S	*	*			trans	-97.4	174	-140.8	-9.9	30.8	0	0	0	118.3	S1987	P1985-S1987 PolarHBondContact O-N 3.1Å
1986	E	39.3	Very low	28.7	Very low	208 Å²	208	116.3 Å²	116.3	97%	0.972	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	27.8	-164.3	-152.6	172.2	-154.3	0	0	117.2
1987	S	29.4	Very low	29.1	Very low	87 Å²	87	115.1 Å²	115.1	61%	0.608	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.9	13.3	-177.2	65.3	0	0	0	0	116.2	P1985	P1985-S1987 PolarHBondContact O-N 3.1Å
1988	F	28.2	Very low	29.4	Very low	138 Å²	138	111.8 Å²	111.8	61%	0.605	60%	0.604	S	S	*	*	S	Bend	trans	-125.1	5.8	-169.8	-131.5	-100.1	0	0	0	116.4	S1991	F1988-S1991 WeakPolarHBondContact CA-OG 3.02Å; F1988-S1991 PolarHBondContact O-OG 2.57Å
1989	L	30.1	Very low	29.8	Very low	122 Å²	122	105.4 Å²	105.4	64%	0.639	57%	0.572	S	S	*	*	S	Bend	trans	-126	5.2	176.4	-76.3	177.9	0	0	0	115	M1992	L1989-M1992 HydrophobicContact CD2-CB 4.14Å; L1989-M1992 HydrophobicContact CD2-CG 4.12Å; L1989-M1992 HydrophobicContact CD2-SD 3.74Å
1990	T	26.5	Very low	30.5	Very low	93 Å²	93	102.3 Å²	102.3	57%	0.571	56%	0.56	S	S	*	*	S	Bend	trans	-79.1	-3.3	151.2	42.5	0	0	0	0	112	S2006	T1990-S2006 PolarHBondContact O-N 3.46Å
1991	S	25.6	Very low	31.2	Very low	27 Å²	27	103.1 Å²	103.1	19%	0.189	57%	0.566	C	S	.	*			trans	-138.6	52.9	-166	59.4	0	0	0	0	112	F1988 E1993	F1988-S1991 WeakPolarHBondContact CA-OG 3.02Å; F1988-S1991 PolarHBondContact O-OG 2.57Å; S1991-E1993 WeakPolarHBondContact CA-OE1 3.24Å; S1991-E1993 WeakPolarHBondContact CB-OE1 3.49Å
1992	M	25	Very low	31.2	Very low	118 Å²	118	99.5 Å²	99.5	58%	0.581	54%	0.54	S	S	*	.			trans	-144.4	72.2	164.3	-82.9	-165.4	167.2	0	0	105.8	L1989	L1989-M1992 HydrophobicContact CD2-CB 4.14Å; L1989-M1992 HydrophobicContact CD2-CG 4.12Å; L1989-M1992 HydrophobicContact CD2-SD 3.74Å
1993	E	23.9	Very low	31.5	Very low	59 Å²	59	94.5 Å²	94.5	28%	0.276	53%	0.527	S	S	.	.				56	126.8	66.6	-61.2	157.9	-142	0	0	110.1	S1991 N1995 T2004	S1991-E1993 WeakPolarHBondContact CA-OE1 3.24Å; S1991-E1993 WeakPolarHBondContact CB-OE1 3.49Å; E1993-N1995 PolarHBondContact O-N 3.31Å; E1993-T2004 VanDerWaalsContact OE1-CA 3.26Å; E1993-T2004 WeakPolarHBondContact OE1-CA 3.41Å; E1993-T2004 WeakPolarHBondContact OE1-CB 3.15Å; E1993-T2004 WeakPolarHBondContact OE1-CG2 3.03Å
1994	V	26.5	Very low	31.3	Very low	17 Å²	17	91.2 Å²	91.2	10%	0.103	51%	0.513	C	S	.	.	S	Bend		43	44.7	69.4	-166.7	0	0	0	0	111.5	N1996 C1999 C2002 F2051	V1994-N1996 PolarHBondContact O-N 3.07Å; V1994-C1999 HydrophobicContact CG1-CB 3.49Å; V1994-C1999 VanDerWaalsContact CG1-CB 3.49Å; V1994-C1999 WeakPolarHBondContact CG1-O 3.4Å; V1994-C2002 HydrophobicContact CB-CB 4.19Å; V1994-C2002 HydrophobicContact CG1-CB 3.41Å; V1994-C2002 VanDerWaalsContact CG1-CB 3.41Å; V1994-C2002 HydrophobicContact CG2-CB 3.99Å; V1994-F2051 HydrophobicContact CG2-CD1 3.67Å; V1994-F2051 HydrophobicContact CG2-CE1 3.65Å
1995	N	27.3	Very low	31.6	Very low	96 Å²	96	86.6 Å²	86.6	51%	0.513	49%	0.492	S	S	.	.			trans	-45.8	134.3	165.7	-71.9	-34.6	0	0	0	109.4	E1993 V1997 N1998	E1993-N1995 PolarHBondContact O-N 3.31Å; N1995-V1997 HydrophobicContact CB-CG2 4.42Å; N1995-V1997 PolarHBondContact O-N 3.42Å; N1995-N1998 PolarHBondContact O-N 2.96Å
1996	N	31.8	Very low	32	Very low	129 Å²	129	85.2 Å²	85.2	69%	0.69	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-13.4	-176.4	-90.3	-42	0	0	0	114.8	V1994 P2000	V1994-N1996 PolarHBondContact O-N 3.07Å; N1996-P2000 WeakPolarHBondContact O-CG 3.49Å
1997	V	35.6	Very low	32.3	Very low	63 Å²	63	77.8 Å²	77.8	38%	0.382	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-34.4	173.6	-172.1	0	0	0	0	113	Q1960 N1995	Q1960-V1997 HydrophobicContact CB-CG1 3.8Å; Q1960-V1997 HydrophobicContact CG-CG1 4.4Å; Q1960-V1997 PolarHBondContact NE2-O 3.35Å; Q1960-V1997 VanDerWaalsContact NE2-O 3.1Å; N1995-V1997 HydrophobicContact CB-CG2 4.42Å; N1995-V1997 PolarHBondContact O-N 3.42Å
1998	N	33	Very low	33.4	Very low	78 Å²	78	75.3 Å²	75.3	42%	0.417	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-28.8	-167.6	-70.4	-4.4	0	0	0	114.5	V1958 N1995	V1958-N1998 WeakPolarHBondContact CB-OD1 3.13Å; V1958-N1998 WeakPolarHBondContact CG1-OD1 3.26Å; N1995-N1998 PolarHBondContact O-N 2.96Å
1999	C	34.3	Very low	35	Very low	20 Å²	20	70 Å²	70	14%	0.135	42%	0.415	C	S	.	.			trans	-144.8	101.4	161	163.9	0	0	0	0	108.5	V1994 S2001 C2002	V1994-C1999 HydrophobicContact CG1-CB 3.49Å; V1994-C1999 VanDerWaalsContact CG1-CB 3.49Å; V1994-C1999 WeakPolarHBondContact CG1-O 3.4Å; C1999-S2001 PolarHBondContact O-N 2.58Å; C1999-C2002 HydrophobicContact CB-CB 4.29Å; C1999-C2002 WeakPolarHBondContact CB-SG 3.25Å; C1999-C2002 WeakPolarHBondContact SG-CB 3.13Å; C1999-C2002 PolarHBondContact SG-N 3.19Å; C1999-C2002 CovalentContact SG-SG 2.05Å; C1999-C2002 PolarHBondContact SG-SG 2.78Å
2000	P	37.5	Very low	36.8	Very low	83 Å²	83	64.2 Å²	64.2	54%	0.539	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	19.8	-177.5	-17	29.1	0	0	0	115.7	N1996	N1996-P2000 WeakPolarHBondContact O-CG 3.49Å
2001	S	42.1	Very low	39.4	Very low	110 Å²	110	62 Å²	62	77%	0.769	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-159.8	6.1	-165.2	-53.1	0	0	0	0	116.4	C1999	C1999-S2001 PolarHBondContact O-N 2.58Å
2002	C	35.6	Very low	42.2	Very low	19 Å²	19	60.7 Å²	60.7	13%	0.128	36%	0.358	C	S	.	.			trans	-90.9	143.9	-178	-55.2	0	0	0	0	111.1	V1994 C1999 C2050 C2107	V1994-C2002 HydrophobicContact CB-CB 4.19Å; V1994-C2002 HydrophobicContact CG1-CB 3.41Å; V1994-C2002 VanDerWaalsContact CG1-CB 3.41Å; V1994-C2002 HydrophobicContact CG2-CB 3.99Å; C1999-C2002 HydrophobicContact CB-CB 4.29Å; C1999-C2002 WeakPolarHBondContact CB-SG 3.25Å; C1999-C2002 WeakPolarHBondContact SG-CB 3.13Å; C1999-C2002 PolarHBondContact SG-N 3.19Å; C1999-C2002 CovalentContact SG-SG 2.05Å; C1999-C2002 PolarHBondContact SG-SG 2.78Å; C2002-C2050 PolarHBondContact SG-O 2.73Å; C2002-C2107 PolarHBondContact SG-SG 2.68Å
2003	P	36.5	Very low	45.2	Very low	84 Å²	84	58 Å²	58	55%	0.545	34%	0.343	S	S	.	.			trans	-75.8	153.7	-172.8	29.8	-35.8	0	0	0	114.5	V2005	P2003-V2005 PolarHBondContact O-N 3.4Å
2004	T	31.6	Very low	48.3	Very low	95 Å²	95	55.4 Å²	55.4	58%	0.583	33%	0.331	S	S	*	.	S	Bend	trans	-71.1	82.4	-171	62.4	0	0	0	0	113.2	E1993	E1993-T2004 VanDerWaalsContact OE1-CA 3.26Å; E1993-T2004 WeakPolarHBondContact OE1-CA 3.41Å; E1993-T2004 WeakPolarHBondContact OE1-CB 3.15Å; E1993-T2004 WeakPolarHBondContact OE1-CG2 3.03Å
2005	V	35	Very low	51.2	Low	64 Å²	64	59.6 Å²	59.6	39%	0.388	35%	0.353	S	S	.	.			trans	-149.3	127.7	176.1	-131.5	0	0	0	0	114.8	P2003 S2007	P2003-V2005 PolarHBondContact O-N 3.4Å; V2005-S2007 WeakPolarHBondContact CB-OG 3.19Å; V2005-S2007 WeakPolarHBondContact CG1-OG 3.4Å; V2005-S2007 PolarHBondContact O-N 3.07Å
2006	S	36.9	Very low	54.3	Low	80 Å²	80	56.6 Å²	56.6	56%	0.559	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	9.6	162.5	56.4	0	0	0	0	114.5	T1990 S2039	T1990-S2006 PolarHBondContact O-N 3.46Å; S2006-S2039 PolarHBondContact O-OG 2.98Å
2007	S	46.5	Very low	57.2	Low	51 Å²	51	50.7 Å²	50.7	36%	0.357	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	7.2	-177	71.4	0	0	0	0	115.1	V2005 S2039	V2005-S2007 WeakPolarHBondContact CB-OG 3.19Å; V2005-S2007 WeakPolarHBondContact CG1-OG 3.4Å; V2005-S2007 PolarHBondContact O-N 3.07Å; S2007-S2039 WeakPolarHBondContact CA-OG 3.48Å; S2007-S2039 PolarHBondContact O-OG 2.82Å
2008	L	52.1	Low	59.9	Low	35 Å²	35	49.2 Å²	49.2	18%	0.183	29%	0.291	C	S	.	.	S	Bend	trans	-106.8	-18.6	-166.5	-71.2	174.6	0	0	0	116	S1942 C2050 F2051	S1942-L2008 VanDerWaalsContact CB-O 3.3Å; S1942-L2008 WeakPolarHBondContact CB-O 3.33Å; S1942-L2008 PolarHBondContact OG-O 2.99Å; L2008-C2050 HydrophobicContact CD1-CB 4.13Å; L2008-F2051 HydrophobicContact CB-CE2 4.1Å; L2008-F2051 HydrophobicContact CB-CZ 3.83Å
2009	V	61.8	Low	62.8	Low	27 Å²	27	45.5 Å²	45.5	16%	0.164	27%	0.271	C	S	.	.			trans	-92.8	125.2	174.2	-169.6	0	0	0	0	109.6	S1942 S1943 F1945 F2051	S1942-V2009 WeakPolarHBondContact OG-CA 3.12Å; S1943-V2009 WeakPolarHBondContact OG-CG1 3.41Å; F1945-V2009 HydrophobicContact CB-CG1 4.36Å; F1945-V2009 HydrophobicContact CD2-CB 3.85Å; F1945-V2009 HydrophobicContact CD2-CG1 3.33Å; F1945-V2009 HydrophobicContact CE2-CB 3.81Å; F1945-V2009 HydrophobicContact CE2-CG1 3.86Å; F1945-V2009 HydrophobicContact CE2-CG2 4.37Å; F1945-V2009 HydrophobicContact CG-CG1 4.09Å; V2009-F2051 HydrophobicContact CG2-CE1 4.34Å; V2009-F2051 HydrophobicContact CG2-CE2 3.69Å; V2009-F2051 HydrophobicContact CG2-CZ 3.5Å
2010	S	68.4	Low	65.4	Low	1 Å²	1	46.3 Å²	46.3	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	143.6	176.9	-66.5	0	0	0	0	112	A1941 S1942 L2037 G2038 S2039 S2040	A1941-S2010 CarbonylContact C-O 3.57Å; A1941-S2010 VanDerWaalsContact CA-O 3.24Å; A1941-S2010 WeakPolarHBondContact CA-O 3.43Å; S1942-S2010 PolarHBondContact N-O 3.13Å; S1942-S2010 PolarHBondContact OG-N 3.19Å; S1942-S2010 PolarHBondContact OG-O 3.12Å; S2010-L2037 CarbonylContact C-O 3.19Å; S2010-L2037 VanDerWaalsContact CA-O 3.31Å; S2010-L2037 WeakPolarHBondContact CA-O 3.01Å; S2010-G2038 WeakPolarHBondContact OG-CA 3.24Å; S2010-S2039 PolarHBondContact OG-N 3.21Å; S2010-S2040 WeakPolarHBondContact CB-O 3.48Å; S2010-S2040 PolarHBondContact OG-N 3.26Å; S2010-S2040 PolarHBondContact OG-O 2.86Å; S2010-S2040 VanDerWaalsContact OG-O 3.11Å
2011	K	80.6	Confident	67.7	Low	46 Å²	46	43 Å²	43	20%	0.2	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	109.6	177.5	-172.9	166.7	-171.2	173.1	0	109.7	A1940 A1941 E1944 F2013 L2037	A1940-K2011 CarbonylContact O-C 3.51Å; A1940-K2011 WeakPolarHBondContact O-CA 3.45Å; A1941-K2011 HydrophobicContact CB-CB 4.14Å; A1941-K2011 HydrophobicContact CB-CD 4.41Å; A1941-K2011 HydrophobicContact CB-CG 3.99Å; E1944-K2011 IonicContact OE1-NZ 2.62Å; E1944-K2011 PolarHBondContact OE1-NZ 2.96Å; K2011-F2013 HydrophobicContact CD-CE2 4.19Å; K2011-F2013 HydrophobicContact CD-CZ 4.07Å; K2011-F2013 HydrophobicContact CG-CE2 3.83Å; K2011-F2013 HydrophobicContact CG-CZ 4.11Å; K2011-L2037 PolarHBondContact N-O 2.96Å; K2011-L2037 PolarHBondContact O-N 2.76Å
2012	T	83.8	Confident	69.6	Low	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.7	-178	-57.4	0	0	0	0	110.3	Y1939 A1940 Y2014 H2035 T2036 M2041 M2042	Y1939-T2012 CarbonylContact C-O 3.39Å; Y1939-T2012 WeakPolarHBondContact CA-O 3.37Å; A1940-T2012 PolarHBondContact N-O 2.75Å; A1940-T2012 PolarHBondContact O-N 3.01Å; T2012-Y2014 HydrophobicContact CG2-CD2 4.12Å; T2012-Y2014 HydrophobicContact CG2-CE1 4.29Å; T2012-Y2014 HydrophobicContact CG2-CE2 3.45Å; T2012-Y2014 VanDerWaalsContact CG2-CE2 3.45Å; T2012-Y2014 WeakPolarHBondContact O-CD2 3.44Å; T2012-Y2014 WeakPolarHBondContact O-CE2 3.34Å; T2012-H2035 WeakPolarHBondContact CA-O 3.06Å; T2012-T2036 WeakPolarHBondContact CG2-OG1 3.49Å; T2012-T2036 WeakPolarHBondContact OG1-CG2 3.29Å; T2012-T2036 PolarHBondContact OG1-OG1 2.78Å; T2012-M2041 HydrophobicContact CG2-CG 4.09Å; T2012-M2042 PolarHBondContact OG1-N 2.83Å
2013	F	87.8	Confident	72.1	Confident	60 Å²	60	48.1 Å²	48.1	26%	0.263	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	146	174	-64.5	-97.4	0	0	0	110.2	I1937 N1938 K2011 S2034 H2035 L2037	I1937-F2013 HydrophobicContact CG2-CD1 4.17Å; I1937-F2013 HydrophobicContact CG2-CE1 4.3Å; N1938-F2013 WeakPolarHBondContact O-CA 3.37Å; K2011-F2013 HydrophobicContact CD-CE2 4.19Å; K2011-F2013 HydrophobicContact CD-CZ 4.07Å; K2011-F2013 HydrophobicContact CG-CE2 3.83Å; K2011-F2013 HydrophobicContact CG-CZ 4.11Å; F2013-S2034 CarbonylContact O-C 3.46Å; F2013-S2034 WeakPolarHBondContact O-CA 3.48Å; F2013-S2034 VanDerWaalsContact O-CB 3.23Å; F2013-S2034 WeakPolarHBondContact O-CB 3.34Å; F2013-H2035 PolarHBondContact N-O 2.97Å; F2013-H2035 PolarHBondContact O-N 3.15Å; F2013-L2037 HydrophobicContact CE2-CD1 3.96Å; F2013-L2037 HydrophobicContact CE2-CG 4.44Å
2014	Y	90.7	Very high	74.6	Confident	5 Å²	5	44.4 Å²	44.4	2%	0.02	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	120.6	-174.5	-70.1	-97.6	0	0	0	112.4	L1934 N1938 A1940 T2012 V2017 M2041 M2042 P2043 Y2044	L1934-Y2014 WeakPolarHBondContact CD1-O 3.39Å; N1938-Y2014 PolarHBondContact O-N 2.9Å; A1940-Y2014 HydrophobicContact CB-CE2 4.29Å; T2012-Y2014 HydrophobicContact CG2-CD2 4.12Å; T2012-Y2014 HydrophobicContact CG2-CE1 4.29Å; T2012-Y2014 HydrophobicContact CG2-CE2 3.45Å; T2012-Y2014 VanDerWaalsContact CG2-CE2 3.45Å; T2012-Y2014 WeakPolarHBondContact O-CD2 3.44Å; T2012-Y2014 WeakPolarHBondContact O-CE2 3.34Å; Y2014-V2017 HydrophobicContact CD1-CG2 3.9Å; Y2014-V2017 HydrophobicContact CG-CG2 4.2Å; Y2014-M2041 HydrophobicContact CE1-CE 3.9Å; Y2014-M2041 WeakPolarHBondContact OH-CE 3.23Å; Y2014-M2042 PolarHBondContact OH-O 2.84Å; Y2014-P2043 WeakPolarHBondContact OH-CA 3.4Å; Y2014-Y2044 HydrophobicContact CD1-CD2 4.01Å; Y2014-Y2044 AromaticContact CD2-CD2 3.66Å; Y2014-Y2044 HydrophobicContact CD2-CD2 3.66Å; Y2014-Y2044 HydrophobicContact CE1-CD2 4.39Å; Y2014-Y2044 HydrophobicContact CE2-CD2 4.06Å; Y2014-Y2044 AromaticContact CG-CD2 3.62Å; Y2014-Y2044 HydrophobicContact CG-CD2 3.62Å; Y2014-Y2044 HydrophobicContact CG-CE2 4.34Å; Y2014-Y2044 PolarHBondContact OH-N 3.34Å
2015	N	87.3	Confident	77.5	Confident	106 Å²	106	42.2 Å²	42.2	57%	0.567	22%	0.22	S	C	*	.	S	Bend	trans	-93.3	-33.2	175.2	-62.8	-6.9	0	0	0	111.3	L1934 F2033	L1934-N2015 PolarHBondContact N-O 3.1Å; N2015-F2033 PolarHBondContact N-O 3Å
2016	K	91.8	Very high	80.2	Confident	33 Å²	33	39.4 Å²	39.4	14%	0.143	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	158.1	167.5	-41.1	179.6	-172.8	157.9	0	110.4	Y1919 Y1931 I1932 F2033	Y1919-K2016 HydrophobicContact CD1-CD 3.82Å; Y1919-K2016 HydrophobicContact CD2-CD 4.49Å; Y1919-K2016 VanDerWaalsContact CD2-NZ 3.26Å; Y1919-K2016 HydrophobicContact CE1-CD 4.47Å; Y1919-K2016 HydrophobicContact CG-CD 3.84Å; Y1919-K2016 VanDerWaalsContact CG-NZ 3.26Å; Y1931-K2016 HydrophobicContact CD1-CB 4.47Å; I1932-K2016 CarbonylContact O-C 3.58Å; I1932-K2016 WeakPolarHBondContact O-CA 3.18Å; I1932-K2016 WeakPolarHBondContact O-CB 3.46Å; K2016-F2033 HydrophobicContact CB-CB 3.62Å; K2016-F2033 HydrophobicContact CB-CD2 4Å; K2016-F2033 HydrophobicContact CB-CG 3.9Å; K2016-F2033 HydrophobicContact CD-CB 4.33Å; K2016-F2033 HydrophobicContact CD-CD1 3.97Å; K2016-F2033 HydrophobicContact CD-CD2 3.94Å; K2016-F2033 HydrophobicContact CD-CE1 4.26Å; K2016-F2033 HydrophobicContact CD-CE2 4.21Å; K2016-F2033 HydrophobicContact CD-CG 3.81Å; K2016-F2033 HydrophobicContact CD-CZ 4.38Å; K2016-F2033 HydrophobicContact CG-CB 3.9Å; K2016-F2033 HydrophobicContact CG-CD1 4.36Å; K2016-F2033 HydrophobicContact CG-CD2 4.34Å; K2016-F2033 HydrophobicContact CG-CG 3.95Å; K2016-F2033 PolarHBondContact N-O 3.26Å
2017	V	92	Very high	82.8	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.024	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.9	-174	167.5	0	0	0	0	110.5	Y1931 I1932 L1934 Y2014 L2019 V2026 Y2044	Y1931-V2017 CarbonylContact C-O 3.41Å; Y1931-V2017 VanDerWaalsContact CA-O 3.29Å; Y1931-V2017 WeakPolarHBondContact CA-O 3.14Å; I1932-V2017 PolarHBondContact N-O 2.94Å; I1932-V2017 PolarHBondContact O-N 2.93Å; L1934-V2017 HydrophobicContact CD1-CB 4.49Å; L1934-V2017 HydrophobicContact CD1-CG2 3.6Å; L1934-V2017 HydrophobicContact CG-CG2 4.49Å; Y2014-V2017 HydrophobicContact CD1-CG2 3.9Å; Y2014-V2017 HydrophobicContact CG-CG2 4.2Å; V2017-L2019 PolarHBondContact O-N 2.97Å; V2017-V2026 HydrophobicContact CG1-CB 4.17Å; V2017-V2026 HydrophobicContact CG1-CG1 3.2Å; V2017-V2026 HydrophobicContact CG1-CG2 3.9Å; V2017-Y2044 HydrophobicContact CG1-CD1 3.85Å; V2017-Y2044 HydrophobicContact CG1-CE1 4.03Å; V2017-Y2044 HydrophobicContact CG1-CG 4.17Å; V2017-Y2044 HydrophobicContact CG2-CD1 4.14Å; V2017-Y2044 HydrophobicContact CG2-CD2 3.55Å; V2017-Y2044 HydrophobicContact CG2-CE1 4.16Å; V2017-Y2044 HydrophobicContact CG2-CE2 3.57Å; V2017-Y2044 HydrophobicContact CG2-CG 3.83Å
2018	R	93.7	Very high	85	Confident	32 Å²	32	38.6 Å²	38.6	12%	0.121	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	126.1	-176.8	-175.5	77.2	-179.2	86	-8.6	111	S1929 E1930 Y1931 V2026 K2027 D2030	S1929-R2018 VanDerWaalsContact CA-NH2 3.31Å; S1929-R2018 VanDerWaalsContact CB-NE 3.26Å; S1929-R2018 PolarHBondContact OG-NE 3.33Å; S1929-R2018 VanDerWaalsContact OG-NE 3.13Å; S1929-R2018 PolarHBondContact OG-NH2 2.83Å; E1930-R2018 VanDerWaalsContact N-CZ 3.34Å; E1930-R2018 WeakPolarHBondContact O-CD 3.24Å; E1930-R2018 PolarHBondContact O-NH1 3.25Å; E1930-R2018 IonicContact OE2-CZ 2.66Å; E1930-R2018 IonicContact OE2-NH1 3.44Å; E1930-R2018 PolarHBondContact OE2-NH1 2.98Å; E1930-R2018 IonicContact OE2-NH2 2.66Å; E1930-R2018 PolarHBondContact OE2-NH2 2.69Å; Y1931-R2018 HydrophobicContact CD1-CB 3.9Å; Y1931-R2018 HydrophobicContact CE1-CB 3.67Å; Y1931-R2018 HydrophobicContact CE1-CG 4.31Å; R2018-V2026 WeakPolarHBondContact O-CA 3.48Å; R2018-K2027 HydrophobicContact CB-CB 4.09Å; R2018-K2027 HydrophobicContact CG-CB 3.95Å; R2018-K2027 HydrophobicContact CG-CG 3.99Å; R2018-K2027 PolarHBondContact O-N 3.2Å; R2018-D2030 HydrophobicContact CB-CB 3.55Å; R2018-D2030 WeakPolarHBondContact CB-OD2 3.33Å; R2018-D2030 WeakPolarHBondContact CD-OD2 3.5Å; R2018-D2030 HydrophobicContact CG-CB 4.25Å; R2018-D2030 WeakPolarHBondContact CG-OD2 3.08Å
2019	L	92.7	Very high	86.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.6	178.2	178.7	69.1	0	0	0	111	I1911 I1918 E1930 I1932 V2017 I2021 L2024 V2026 F2070 L2118	I1911-L2019 HydrophobicContact CD1-CD2 4.38Å; I1918-L2019 HydrophobicContact CD1-CD2 3.91Å; E1930-L2019 PolarHBondContact O-N 2.83Å; I1932-L2019 HydrophobicContact CD1-CB 4.13Å; I1932-L2019 HydrophobicContact CD1-CD1 4.19Å; I1932-L2019 HydrophobicContact CD1-CD2 4.05Å; I1932-L2019 HydrophobicContact CD1-CG 4.35Å; I1932-L2019 HydrophobicContact CG1-CB 4.04Å; I1932-L2019 HydrophobicContact CG1-CD2 4.09Å; V2017-L2019 PolarHBondContact O-N 2.97Å; L2019-I2021 HydrophobicContact CD2-CG2 4.07Å; L2019-I2021 HydrophobicContact CG-CG2 4.37Å; L2019-I2021 PolarHBondContact O-N 3.27Å; L2019-L2024 HydrophobicContact CD1-CD2 4.24Å; L2019-L2024 HydrophobicContact CD2-CD2 4.17Å; L2019-V2026 HydrophobicContact CD1-CG2 4.46Å; L2019-F2070 HydrophobicContact CD2-CE1 4.14Å; L2019-F2070 HydrophobicContact CD2-CE2 4.31Å; L2019-F2070 HydrophobicContact CD2-CZ 3.62Å; L2019-L2118 HydrophobicContact CD1-CD1 4.14Å
2020	D	89.6	Confident	88	Confident	38 Å²	38	43.1 Å²	43.1	20%	0.203	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	97.6	161.1	-169.9	-30.8	0	0	0	109.5	Y2022 S2023 L2024 E2025 K2027	D2020-Y2022 PolarHBondContact O-N 3.12Å; D2020-Y2022 VanDerWaalsContact O-N 3.15Å; D2020-Y2022 PolarHBondContact OD1-N 3.28Å; D2020-Y2022 VanDerWaalsContact OD1-N 3.07Å; D2020-S2023 VanDerWaalsContact CB-OG 3.32Å; D2020-S2023 WeakPolarHBondContact CB-OG 3.46Å; D2020-S2023 PolarHBondContact O-N 2.02Å; D2020-S2023 PolarHBondContact OD1-N 3.33Å; D2020-S2023 PolarHBondContact OD1-OG 3.36Å; D2020-S2023 PolarHBondContact OD2-OG 3.41Å; D2020-L2024 VanDerWaalsContact O-CA 3.22Å; D2020-L2024 WeakPolarHBondContact O-CA 3.35Å; D2020-L2024 PolarHBondContact O-N 3.29Å; D2020-E2025 HydrophobicContact CB-CB 4.29Å; D2020-E2025 VanDerWaalsContact CB-O 3.28Å; D2020-E2025 WeakPolarHBondContact CB-O 3.44Å; D2020-E2025 PolarHBondContact N-O 2.88Å; D2020-E2025 PolarHBondContact O-N 3.36Å; D2020-K2027 HydrophobicContact CB-CD 4.47Å; D2020-K2027 WeakPolarHBondContact OD2-CE 3.49Å; D2020-K2027 IonicContact OD2-NZ 3.27Å; D2020-K2027 PolarHBondContact OD2-NZ 2.82Å
2021	I	85.5	Confident	88.7	Confident	14 Å²	14	44.1 Å²	44.1	7%	0.072	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-17.1	-179.4	49	162.8	0	0	0	115	K1890 S1891 I1911 E1930 L2019	K1890-I2021 VanDerWaalsContact O-CD1 3.32Å; K1890-I2021 WeakPolarHBondContact O-CD1 3.16Å; S1891-I2021 VanDerWaalsContact CA-CD1 3.49Å; I1911-I2021 HydrophobicContact CD1-CB 4.41Å; I1911-I2021 HydrophobicContact CD1-CG2 3.67Å; I1911-I2021 HydrophobicContact CG1-CG2 4.25Å; E1930-I2021 HydrophobicContact CB-CG2 3.95Å; E1930-I2021 HydrophobicContact CG-CD1 3.99Å; E1930-I2021 HydrophobicContact CG-CG1 4.16Å; E1930-I2021 HydrophobicContact CG-CG2 3.7Å; L2019-I2021 HydrophobicContact CD2-CG2 4.07Å; L2019-I2021 HydrophobicContact CG-CG2 4.37Å; L2019-I2021 PolarHBondContact O-N 3.27Å
2022	Y	82.5	Confident	89	Confident	183 Å²	183	47.1 Å²	47.1	72%	0.718	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-24.8	-179.3	-63.1	-74.7	0	0	0	112.7	D2020	D2020-Y2022 PolarHBondContact O-N 3.12Å; D2020-Y2022 VanDerWaalsContact O-N 3.15Å; D2020-Y2022 PolarHBondContact OD1-N 3.28Å; D2020-Y2022 VanDerWaalsContact OD1-N 3.07Å
2023	S	88	Confident	89.2	Confident	52 Å²	52	49.3 Å²	49.3	36%	0.364	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-8.1	178.3	57.7	0	0	0	0	114.2	D2020 E2025	D2020-S2023 VanDerWaalsContact CB-OG 3.32Å; D2020-S2023 WeakPolarHBondContact CB-OG 3.46Å; D2020-S2023 PolarHBondContact O-N 2.02Å; D2020-S2023 PolarHBondContact OD1-N 3.33Å; D2020-S2023 PolarHBondContact OD1-OG 3.36Å; D2020-S2023 PolarHBondContact OD2-OG 3.41Å; S2023-E2025 PolarHBondContact O-N 3.31Å; S2023-E2025 VanDerWaalsContact OG-CB 3.29Å; S2023-E2025 WeakPolarHBondContact OG-CB 3.32Å; S2023-E2025 PolarHBondContact OG-N 3.47Å
2024	L	89.3	Confident	89.1	Confident	7 Å²	7	47.8 Å²	47.8	4%	0.037	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	23.8	-164.9	-71.8	179.9	0	0	0	113.9	I1911 E1912 L2019 D2020 F2070 F2117 L2118	I1911-L2024 HydrophobicContact CG2-CD2 3.72Å; I1911-L2024 HydrophobicContact CG2-CG 4.45Å; E1912-L2024 HydrophobicContact CG-CD1 4.25Å; E1912-L2024 VanDerWaalsContact OE2-CD1 3.28Å; E1912-L2024 WeakPolarHBondContact OE2-CD1 3.48Å; L2019-L2024 HydrophobicContact CD1-CD2 4.24Å; L2019-L2024 HydrophobicContact CD2-CD2 4.17Å; D2020-L2024 VanDerWaalsContact O-CA 3.22Å; D2020-L2024 WeakPolarHBondContact O-CA 3.35Å; D2020-L2024 PolarHBondContact O-N 3.29Å; L2024-F2070 HydrophobicContact CD2-CE1 3.85Å; L2024-F2117 WeakPolarHBondContact O-CA 3.48Å; L2024-L2118 WeakPolarHBondContact CB-O 3.44Å; L2024-L2118 PolarHBondContact O-N 2.77Å
2025	E	91.6	Very high	88.7	Confident	49 Å²	49	53 Å²	53	23%	0.229	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	126.7	174.9	-172.7	-169.2	-129.1	0	0	110.6	D2020 S2023 K2027 F2117	D2020-E2025 HydrophobicContact CB-CB 4.29Å; D2020-E2025 VanDerWaalsContact CB-O 3.28Å; D2020-E2025 WeakPolarHBondContact CB-O 3.44Å; D2020-E2025 PolarHBondContact N-O 2.88Å; D2020-E2025 PolarHBondContact O-N 3.36Å; S2023-E2025 PolarHBondContact O-N 3.31Å; S2023-E2025 VanDerWaalsContact OG-CB 3.29Å; S2023-E2025 WeakPolarHBondContact OG-CB 3.32Å; S2023-E2025 PolarHBondContact OG-N 3.47Å; E2025-K2027 PolarHBondContact O-N 3.41Å; E2025-K2027 IonicContact OE2-NZ 2.95Å; E2025-K2027 PolarHBondContact OE2-NZ 2.96Å; E2025-F2117 HydrophobicContact CB-CD1 4.16Å; E2025-F2117 HydrophobicContact CB-CE1 3.92Å; E2025-F2117 HydrophobicContact CG-CE1 4.24Å
2026	V	91.7	Very high	88.2	Confident	4 Å²	4	50 Å²	50	2%	0.024	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	125.3	165.3	165	0	0	0	0	109.6	V2017 R2018 L2019 I2028 Y2044 L2116 L2118	V2017-V2026 HydrophobicContact CG1-CB 4.17Å; V2017-V2026 HydrophobicContact CG1-CG1 3.2Å; V2017-V2026 HydrophobicContact CG1-CG2 3.9Å; R2018-V2026 WeakPolarHBondContact O-CA 3.48Å; L2019-V2026 HydrophobicContact CD1-CG2 4.46Å; V2026-I2028 VanDerWaalsContact C-N 3.27Å; V2026-I2028 HydrophobicContact CG1-CG2 3.92Å; V2026-I2028 PolarHBondContact O-N 3.35Å; V2026-Y2044 HydrophobicContact CG1-CD1 3.82Å; V2026-Y2044 HydrophobicContact CG1-CE1 4.47Å; V2026-L2116 HydrophobicContact CB-CB 4.09Å; V2026-L2116 HydrophobicContact CB-CD2 4Å; V2026-L2116 HydrophobicContact CB-CG 3.99Å; V2026-L2116 HydrophobicContact CG1-CD2 4.06Å; V2026-L2116 HydrophobicContact CG2-CD2 4.35Å; V2026-L2116 HydrophobicContact CG2-CG 4.3Å; V2026-L2116 PolarHBondContact N-O 3.3Å; V2026-L2118 HydrophobicContact CG2-CD1 3.88Å; V2026-L2118 HydrophobicContact CG2-CD2 4.42Å; V2026-L2118 HydrophobicContact CG2-CG 4.03Å
2027	K	92.1	Very high	87	Confident	80 Å²	80	53.2 Å²	53.2	35%	0.348	26%	0.263	S	S	.	.			trans	-76.4	83.7	169.8	-55.1	-51.5	-169	-157.1	0	108.7	R2018 D2020 E2025 N2029 D2030	R2018-K2027 HydrophobicContact CB-CB 4.09Å; R2018-K2027 HydrophobicContact CG-CB 3.95Å; R2018-K2027 HydrophobicContact CG-CG 3.99Å; R2018-K2027 PolarHBondContact O-N 3.2Å; D2020-K2027 HydrophobicContact CB-CD 4.47Å; D2020-K2027 WeakPolarHBondContact OD2-CE 3.49Å; D2020-K2027 IonicContact OD2-NZ 3.27Å; D2020-K2027 PolarHBondContact OD2-NZ 2.82Å; E2025-K2027 PolarHBondContact O-N 3.41Å; E2025-K2027 IonicContact OE2-NZ 2.95Å; E2025-K2027 PolarHBondContact OE2-NZ 2.96Å; K2027-N2029 PolarHBondContact O-N 3.01Å; K2027-D2030 PolarHBondContact O-N 3.45Å
2028	I	91.4	Very high	85.8	Confident	35 Å²	35	55.3 Å²	55.3	18%	0.179	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-23.7	-171.8	58.3	170.8	0	0	0	114.7	V2026 P2043 Y2044 T2046 P2112 L2116	V2026-I2028 VanDerWaalsContact C-N 3.27Å; V2026-I2028 HydrophobicContact CG1-CG2 3.92Å; V2026-I2028 PolarHBondContact O-N 3.35Å; I2028-P2043 HydrophobicContact CB-CB 3.96Å; I2028-P2043 HydrophobicContact CD1-CB 4.02Å; I2028-P2043 HydrophobicContact CG1-CB 4Å; I2028-P2043 CarbonylContact O-C 3.43Å; I2028-P2043 WeakPolarHBondContact O-CA 3.49Å; I2028-P2043 WeakPolarHBondContact O-CB 3.42Å; I2028-Y2044 WeakPolarHBondContact CB-O 3.47Å; I2028-Y2044 WeakPolarHBondContact CG2-O 3.4Å; I2028-Y2044 PolarHBondContact O-N 3.33Å; I2028-T2046 HydrophobicContact CD1-CG2 3.92Å; I2028-P2112 HydrophobicContact CD1-CG 4.43Å; I2028-P2112 HydrophobicContact CG2-CG 4.29Å; I2028-L2116 HydrophobicContact CG2-CB 3.79Å; I2028-L2116 HydrophobicContact CG2-CD2 4Å
2029	N	89	Confident	84.4	Confident	116 Å²	116	57.1 Å²	57.1	62%	0.62	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	2.9	-179	-60.4	-19	0	0	0	114.1	K2027 G2031 P2043	K2027-N2029 PolarHBondContact O-N 3.01Å; N2029-G2031 PolarHBondContact O-N 2.91Å; N2029-P2043 VanDerWaalsContact OD1-CB 3.31Å; N2029-P2043 WeakPolarHBondContact OD1-CB 3.06Å; N2029-P2043 WeakPolarHBondContact OD1-CG 3.45Å
2030	D	89.2	Confident	83.4	Confident	40 Å²	40	59.8 Å²	59.8	21%	0.214	32%	0.321	C	S	.	.			trans	-83.8	106.4	175.6	-170.8	-32.1	0	0	0	111.4	Y1931 R2018 K2027 R2032 M2041	Y1931-D2030 VanDerWaalsContact CE1-OD2 3.27Å; Y1931-D2030 WeakPolarHBondContact CE1-OD2 3.39Å; Y1931-D2030 VanDerWaalsContact CZ-OD2 3.27Å; Y1931-D2030 PolarHBondContact OH-OD1 3.14Å; Y1931-D2030 PolarHBondContact OH-OD2 3.06Å; R2018-D2030 HydrophobicContact CB-CB 3.55Å; R2018-D2030 WeakPolarHBondContact CB-OD2 3.33Å; R2018-D2030 WeakPolarHBondContact CD-OD2 3.5Å; R2018-D2030 HydrophobicContact CG-CB 4.25Å; R2018-D2030 WeakPolarHBondContact CG-OD2 3.08Å; K2027-D2030 PolarHBondContact O-N 3.45Å; D2030-R2032 WeakPolarHBondContact OD1-CB 2.92Å; D2030-R2032 PolarHBondContact OD1-N 3.4Å; D2030-M2041 VanDerWaalsContact C-CE 3.47Å
2031	G	82.4	Confident	83	Confident	23 Å²	23	60.5 Å²	60.5	24%	0.237	32%	0.324	C	S	.	.			trans	-92	3.8	-178.6	0	0	0	0	0	115.7	N2029 F2033 S2034 M2041	N2029-G2031 PolarHBondContact O-N 2.91Å; G2031-F2033 VanDerWaalsContact C-N 3.28Å; G2031-F2033 PolarHBondContact O-N 3.07Å; G2031-S2034 VanDerWaalsContact CA-OG 3.24Å; G2031-S2034 WeakPolarHBondContact CA-OG 3.44Å; G2031-S2034 WeakPolarHBondContact O-CB 3.43Å; G2031-S2034 PolarHBondContact O-N 2.83Å; G2031-S2034 PolarHBondContact O-OG 2.85Å; G2031-M2041 VanDerWaalsContact CA-CE 3.41Å; G2031-M2041 WeakPolarHBondContact CA-SD 3.42Å; G2031-M2041 VanDerWaalsContact N-CE 3.33Å
2032	R	87.5	Confident	83	Confident	109 Å²	109	60.9 Å²	60.9	41%	0.411	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.8	-168	-178.2	-175.7	-176.7	141.9	0.3	114.4	D1904 D1922 Y1931 D2030	D1904-R2032 IonicContact OD2-NH2 2.66Å; D1922-R2032 IonicContact OD1-CZ 3.54Å; D1922-R2032 VanDerWaalsContact OD1-CZ 3.22Å; D1922-R2032 IonicContact OD1-NH1 2.69Å; D1922-R2032 PolarHBondContact OD1-NH1 3.42Å; D1922-R2032 IonicContact OD1-NH2 3.91Å; D1922-R2032 PolarHBondContact OD1-NH2 2.9Å; D1922-R2032 IonicContact OD2-CZ 3.06Å; D1922-R2032 IonicContact OD2-NH1 2.83Å; D1922-R2032 PolarHBondContact OD2-NH1 2.67Å; D1922-R2032 IonicContact OD2-NH2 2.65Å; Y1931-R2032 HydrophobicContact CE1-CB 4.39Å; Y1931-R2032 VanDerWaalsContact OH-CD 3.3Å; Y1931-R2032 WeakPolarHBondContact OH-CD 3.47Å; D2030-R2032 WeakPolarHBondContact OD1-CB 2.92Å; D2030-R2032 PolarHBondContact OD1-N 3.4Å
2033	F	88.5	Confident	83.4	Confident	46 Å²	46	53.4 Å²	53.4	20%	0.202	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	35.2	177.1	-62.7	-74.8	0	0	0	111.4	Y1919 A1921 Y1931 N2015 K2016 G2031	Y1919-F2033 HydrophobicContact CD1-CE2 4.22Å; Y1919-F2033 HydrophobicContact CD1-CZ 4.08Å; Y1919-F2033 HydrophobicContact CE1-CE1 4.29Å; Y1919-F2033 HydrophobicContact CE1-CE2 4.17Å; Y1919-F2033 AromaticContact CE1-CZ 3.59Å; Y1919-F2033 HydrophobicContact CE1-CZ 3.59Å; A1921-F2033 HydrophobicContact CB-CE2 4.09Å; A1921-F2033 HydrophobicContact CB-CZ 4.12Å; Y1931-F2033 AromaticContact CD1-CD2 3.62Å; Y1931-F2033 HydrophobicContact CD1-CD2 3.62Å; Y1931-F2033 HydrophobicContact CD1-CE2 4.04Å; Y1931-F2033 HydrophobicContact CD2-CD2 4.25Å; Y1931-F2033 AromaticContact CD2-CE2 3.81Å; Y1931-F2033 HydrophobicContact CD2-CE2 3.81Å; Y1931-F2033 AromaticContact CE1-CD2 3.7Å; Y1931-F2033 HydrophobicContact CE1-CD2 3.7Å; Y1931-F2033 HydrophobicContact CE1-CE2 4.03Å; Y1931-F2033 HydrophobicContact CE2-CD2 4.31Å; Y1931-F2033 AromaticContact CE2-CE2 3.79Å; Y1931-F2033 HydrophobicContact CE2-CE2 3.79Å; Y1931-F2033 AromaticContact CG-CD2 3.93Å; Y1931-F2033 HydrophobicContact CG-CD2 3.93Å; Y1931-F2033 AromaticContact CG-CE2 3.96Å; Y1931-F2033 HydrophobicContact CG-CE2 3.96Å; Y1931-F2033 AromaticContact CZ-CE2 3.92Å; N2015-F2033 PolarHBondContact N-O 3Å; K2016-F2033 HydrophobicContact CB-CB 3.62Å; K2016-F2033 HydrophobicContact CB-CD2 4Å; K2016-F2033 HydrophobicContact CB-CG 3.9Å; K2016-F2033 HydrophobicContact CD-CB 4.33Å; K2016-F2033 HydrophobicContact CD-CD1 3.97Å; K2016-F2033 HydrophobicContact CD-CD2 3.94Å; K2016-F2033 HydrophobicContact CD-CE1 4.26Å; K2016-F2033 HydrophobicContact CD-CE2 4.21Å; K2016-F2033 HydrophobicContact CD-CG 3.81Å; K2016-F2033 HydrophobicContact CD-CZ 4.38Å; K2016-F2033 HydrophobicContact CG-CB 3.9Å; K2016-F2033 HydrophobicContact CG-CD1 4.36Å; K2016-F2033 HydrophobicContact CG-CD2 4.34Å; K2016-F2033 HydrophobicContact CG-CG 3.95Å; K2016-F2033 PolarHBondContact N-O 3.26Å; G2031-F2033 VanDerWaalsContact C-N 3.28Å; G2031-F2033 PolarHBondContact O-N 3.07Å
2034	S	84.6	Confident	83.6	Confident	28 Å²	28	51.1 Å²	51.1	20%	0.196	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	160	177.7	83.6	0	0	0	0	111.8	F2013 G2031	F2013-S2034 CarbonylContact O-C 3.46Å; F2013-S2034 WeakPolarHBondContact O-CA 3.48Å; F2013-S2034 VanDerWaalsContact O-CB 3.23Å; F2013-S2034 WeakPolarHBondContact O-CB 3.34Å; G2031-S2034 VanDerWaalsContact CA-OG 3.24Å; G2031-S2034 WeakPolarHBondContact CA-OG 3.44Å; G2031-S2034 WeakPolarHBondContact O-CB 3.43Å; G2031-S2034 PolarHBondContact O-N 2.83Å; G2031-S2034 PolarHBondContact O-OG 2.85Å
2035	H	81.9	Confident	83.7	Confident	115 Å²	115	50.8 Å²	50.8	53%	0.532	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	111.6	173.7	-176.2	-85.3	0	0	0	109.5	T2012 F2013	T2012-H2035 WeakPolarHBondContact CA-O 3.06Å; F2013-H2035 PolarHBondContact N-O 2.97Å; F2013-H2035 PolarHBondContact O-N 3.15Å
2036	T	78.5	Confident	83.6	Confident	43 Å²	43	48.7 Å²	48.7	26%	0.264	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.2	-179.3	-61.7	0	0	0	0	110.7	T2012 G2038 S2040	T2012-T2036 WeakPolarHBondContact CG2-OG1 3.49Å; T2012-T2036 WeakPolarHBondContact OG1-CG2 3.29Å; T2012-T2036 PolarHBondContact OG1-OG1 2.78Å; T2036-G2038 PolarHBondContact O-N 2.68Å; T2036-S2040 WeakPolarHBondContact CG2-O 3.48Å
2037	L	65.5	Low	83.4	Confident	100 Å²	100	48.5 Å²	48.5	52%	0.524	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	95.2	161.9	-67.4	-179.1	0	0	0	108.3	S2010 K2011 F2013	S2010-L2037 CarbonylContact C-O 3.19Å; S2010-L2037 VanDerWaalsContact CA-O 3.31Å; S2010-L2037 WeakPolarHBondContact CA-O 3.01Å; K2011-L2037 PolarHBondContact N-O 2.96Å; K2011-L2037 PolarHBondContact O-N 2.76Å; F2013-L2037 HydrophobicContact CE2-CD1 3.96Å; F2013-L2037 HydrophobicContact CE2-CG 4.44Å
2038	G	67.4	Low	82.7	Confident	47 Å²	47	47.5 Å²	47.5	49%	0.485	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	140	-171.4	179.7	0	0	0	0	0	113.2	S2010 T2036	S2010-G2038 WeakPolarHBondContact OG-CA 3.24Å; T2036-G2038 PolarHBondContact O-N 2.68Å
2039	S	64.2	Low	81.6	Confident	71 Å²	71	45.9 Å²	45.9	50%	0.497	26%	0.258	S	S	.	.	S	Bend	trans	-91.4	-12.9	-169.7	34.1	0	0	0	0	114.9	S2006 S2007 S2010	S2006-S2039 PolarHBondContact O-OG 2.98Å; S2007-S2039 WeakPolarHBondContact CA-OG 3.48Å; S2007-S2039 PolarHBondContact O-OG 2.82Å; S2010-S2039 PolarHBondContact OG-N 3.21Å
2040	S	71.2	Confident	80.4	Confident	56 Å²	56	40.4 Å²	40.4	39%	0.392	23%	0.229	S	C	.	.	S	Bend	trans	-143.1	131	179.3	-173.6	0	0	0	0	111.6	S2010 T2036 M2042	S2010-S2040 WeakPolarHBondContact CB-O 3.48Å; S2010-S2040 PolarHBondContact OG-N 3.26Å; S2010-S2040 PolarHBondContact OG-O 2.86Å; S2010-S2040 VanDerWaalsContact OG-O 3.11Å; T2036-S2040 WeakPolarHBondContact CG2-O 3.48Å; S2040-M2042 PolarHBondContact O-N 2.73Å
2041	M	81.8	Confident	78.6	Confident	53 Å²	53	41.2 Å²	41.2	26%	0.261	23%	0.231	S	C	.	.			trans	-62.4	120.2	174.9	-179.9	-161.5	159.1	0	0	109.7	T2012 Y2014 D2030 G2031 P2043	T2012-M2041 HydrophobicContact CG2-CG 4.09Å; Y2014-M2041 HydrophobicContact CE1-CE 3.9Å; Y2014-M2041 WeakPolarHBondContact OH-CE 3.23Å; D2030-M2041 VanDerWaalsContact C-CE 3.47Å; G2031-M2041 VanDerWaalsContact CA-CE 3.41Å; G2031-M2041 WeakPolarHBondContact CA-SD 3.42Å; G2031-M2041 VanDerWaalsContact N-CE 3.33Å; M2041-P2043 WeakPolarHBondContact O-CD 3.08Å
2042	M	85.5	Confident	77.1	Confident	21 Å²	21	40.7 Å²	40.7	10%	0.103	22%	0.223	C	C	.	.			trans	-84.7	114.3	174.1	-74.7	-58.8	107	0	0	110.2	A1940 T2012 Y2014 S2040	A1940-M2042 HydrophobicContact CB-CB 3.88Å; A1940-M2042 WeakPolarHBondContact CB-O 3.45Å; T2012-M2042 PolarHBondContact OG1-N 2.83Å; Y2014-M2042 PolarHBondContact OH-O 2.84Å; S2040-M2042 PolarHBondContact O-N 2.73Å
2043	P	89.5	Confident	75.4	Confident	26 Å²	26	37.5 Å²	37.5	17%	0.169	22%	0.218	C	C	.	.			trans	-57.9	145	-173.8	-27.6	36.5	0	0	0	113.6	A1940 Y2014 I2028 N2029 M2041 G2045 T2046	A1940-P2043 WeakPolarHBondContact CB-O 3.5Å; Y2014-P2043 WeakPolarHBondContact OH-CA 3.4Å; I2028-P2043 HydrophobicContact CB-CB 3.96Å; I2028-P2043 HydrophobicContact CD1-CB 4.02Å; I2028-P2043 HydrophobicContact CG1-CB 4Å; I2028-P2043 CarbonylContact O-C 3.43Å; I2028-P2043 WeakPolarHBondContact O-CA 3.49Å; I2028-P2043 WeakPolarHBondContact O-CB 3.42Å; N2029-P2043 VanDerWaalsContact OD1-CB 3.31Å; N2029-P2043 WeakPolarHBondContact OD1-CB 3.06Å; N2029-P2043 WeakPolarHBondContact OD1-CG 3.45Å; M2041-P2043 WeakPolarHBondContact O-CD 3.08Å; P2043-G2045 PolarHBondContact O-N 3.4Å; P2043-T2046 HydrophobicContact CB-CG2 3.85Å; P2043-T2046 WeakPolarHBondContact CD-OG1 3.16Å; P2043-T2046 WeakPolarHBondContact O-CB 3.36Å; P2043-T2046 PolarHBondContact O-N 3.2Å; P2043-T2046 PolarHBondContact O-OG1 2.82Å
2044	Y	93.4	Very high	73.9	Confident	4 Å²	4	37.3 Å²	37.3	2%	0.016	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	127.7	-173.6	-178.9	-102	0	0	0	111.7	L1934 N1938 Y2014 V2017 V2026 I2028 T2046 I2063 L2116	L1934-Y2044 HydrophobicContact CD1-CE2 4.03Å; N1938-Y2044 HydrophobicContact CB-CE2 3.92Å; N1938-Y2044 WeakPolarHBondContact OD1-CE2 3.29Å; N1938-Y2044 PolarHBondContact OD1-OH 2.7Å; Y2014-Y2044 HydrophobicContact CD1-CD2 4.01Å; Y2014-Y2044 AromaticContact CD2-CD2 3.66Å; Y2014-Y2044 HydrophobicContact CD2-CD2 3.66Å; Y2014-Y2044 HydrophobicContact CE1-CD2 4.39Å; Y2014-Y2044 HydrophobicContact CE2-CD2 4.06Å; Y2014-Y2044 AromaticContact CG-CD2 3.62Å; Y2014-Y2044 HydrophobicContact CG-CD2 3.62Å; Y2014-Y2044 HydrophobicContact CG-CE2 4.34Å; Y2014-Y2044 PolarHBondContact OH-N 3.34Å; V2017-Y2044 HydrophobicContact CG1-CD1 3.85Å; V2017-Y2044 HydrophobicContact CG1-CE1 4.03Å; V2017-Y2044 HydrophobicContact CG1-CG 4.17Å; V2017-Y2044 HydrophobicContact CG2-CD1 4.14Å; V2017-Y2044 HydrophobicContact CG2-CD2 3.55Å; V2017-Y2044 HydrophobicContact CG2-CE1 4.16Å; V2017-Y2044 HydrophobicContact CG2-CE2 3.57Å; V2017-Y2044 HydrophobicContact CG2-CG 3.83Å; V2026-Y2044 HydrophobicContact CG1-CD1 3.82Å; V2026-Y2044 HydrophobicContact CG1-CE1 4.47Å; I2028-Y2044 WeakPolarHBondContact CB-O 3.47Å; I2028-Y2044 WeakPolarHBondContact CG2-O 3.4Å; I2028-Y2044 PolarHBondContact O-N 3.33Å; Y2044-T2046 PolarHBondContact O-N 2.9Å; Y2044-I2063 HydrophobicContact CE1-CD1 4.4Å; Y2044-I2063 HydrophobicContact CE1-CG1 3.99Å; Y2044-I2063 HydrophobicContact CE1-CG2 4.48Å; Y2044-L2116 HydrophobicContact CD1-CD2 3.45Å; Y2044-L2116 VanDerWaalsContact CD1-CD2 3.45Å; Y2044-L2116 HydrophobicContact CE1-CD2 3.69Å
2045	G	90.3	Very high	72.5	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.01	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	12.9	-176.8	0	0	0	0	0	115	P2043 W2078	P2043-G2045 PolarHBondContact O-N 3.4Å; G2045-W2078 PolarHBondContact O-NE1 3.28Å
2046	T	91	Very high	71.2	Confident	5 Å²	5	35 Å²	35	3%	0.031	21%	0.213	C	C	.	.			trans	-104.7	157.1	167.3	70.6	0	0	0	0	110.7	A1940 I2028 P2043 Y2044 F2061 C2110 W2111	A1940-T2046 VanDerWaalsContact CB-O 3.26Å; A1940-T2046 WeakPolarHBondContact CB-O 3.29Å; I2028-T2046 HydrophobicContact CD1-CG2 3.92Å; P2043-T2046 HydrophobicContact CB-CG2 3.85Å; P2043-T2046 WeakPolarHBondContact CD-OG1 3.16Å; P2043-T2046 WeakPolarHBondContact O-CB 3.36Å; P2043-T2046 PolarHBondContact O-N 3.2Å; P2043-T2046 PolarHBondContact O-OG1 2.82Å; Y2044-T2046 PolarHBondContact O-N 2.9Å; T2046-F2061 WeakPolarHBondContact O-CB 2.93Å; T2046-C2110 WeakPolarHBondContact CA-O 3.17Å; T2046-W2111 HydrophobicContact CG2-CB 4.31Å
2047	A	87.1	Confident	70.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	136.3	164.1	0	0	0	0	0	108.7	F2061 C2103 G2109 C2110	A2047-F2061 HydrophobicContact CB-CB 4.37Å; A2047-F2061 HydrophobicContact CB-CD1 3.9Å; A2047-C2103 HydrophobicContact CB-CB 3.94Å; A2047-C2103 WeakPolarHBondContact O-CB 3.45Å; A2047-G2109 CarbonylContact O-C 3.29Å; A2047-G2109 WeakPolarHBondContact O-CA 3.41Å; A2047-C2110 PolarHBondContact N-O 2.9Å; A2047-C2110 PolarHBondContact O-N 2.8Å
2048	K	76.1	Confident	70.8	Confident	59 Å²	59	30.6 Å²	30.6	26%	0.257	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	162.2	174.5	-158.9	-170.9	175.6	-164.6	0	109.1	S1942 C2050 G2059 C2107 T2108 W2111	S1942-K2048 CarbonylContact C-O 3.54Å; S1942-K2048 WeakPolarHBondContact CA-O 3.32Å; S1942-K2048 CarbonylContact O-C 3.57Å; K2048-C2050 VanDerWaalsContact CE-SG 3.56Å; K2048-C2050 PolarHBondContact NZ-SG 3.18Å; K2048-C2050 VanDerWaalsContact NZ-SG 3.37Å; K2048-G2059 WeakPolarHBondContact O-CA 3.11Å; K2048-C2107 WeakPolarHBondContact CE-O 3.24Å; K2048-T2108 CarbonylContact C-O 3.56Å; K2048-T2108 VanDerWaalsContact CG-O 3.3Å; K2048-T2108 WeakPolarHBondContact CG-O 3.26Å; K2048-W2111 HydrophobicContact CG-CH2 4.39Å
2049	D	69	Low	71.2	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.165	C	C	.	.			trans	-148.2	130	159	-161.1	-10.6	0	0	0	112	S1942 F2051 S2052 Q2058 C2107 T2108	S1942-D2049 WeakPolarHBondContact O-CA 3.26Å; D2049-F2051 WeakPolarHBondContact OD1-CA 3.29Å; D2049-F2051 WeakPolarHBondContact OD1-CB 3.15Å; D2049-F2051 PolarHBondContact OD1-N 2.04Å; D2049-S2052 WeakPolarHBondContact OD2-CB 3.46Å; D2049-S2052 PolarHBondContact OD2-OG 3.42Å; D2049-Q2058 WeakPolarHBondContact OD2-CA 3.44Å; D2049-Q2058 WeakPolarHBondContact OD2-CB 3.48Å; D2049-Q2058 PolarHBondContact OD2-N 3.19Å; D2049-C2107 CarbonylContact O-C 3.56Å; D2049-C2107 WeakPolarHBondContact O-CA 3.45Å; D2049-C2107 PolarHBondContact O-N 2.81Å; D2049-T2108 PolarHBondContact N-O 3.3Å
2050	C	63.2	Low	72.3	Confident	2 Å²	2	26 Å²	26	1%	0.014	15%	0.146	C	C	.	.	S	Bend	trans	-106.5	-2.6	175	-56.7	0	0	0	0	112.7	C2002 L2008 K2048	C2002-C2050 PolarHBondContact SG-O 2.73Å; L2008-C2050 HydrophobicContact CD1-CB 4.13Å; K2048-C2050 VanDerWaalsContact CE-SG 3.56Å; K2048-C2050 PolarHBondContact NZ-SG 3.18Å; K2048-C2050 VanDerWaalsContact NZ-SG 3.37Å
2051	F	51.7	Low	73.3	Confident	56 Å²	56	23.3 Å²	23.3	25%	0.246	13%	0.127	C	C	.	.	S	Bend	trans	-115.2	-5.4	-166.7	-54.3	-85.9	0	0	0	113.5	S1943 V1994 L2008 V2009 D2049	S1943-F2051 VanDerWaalsContact OG-CD2 3.32Å; S1943-F2051 WeakPolarHBondContact OG-CD2 3.3Å; S1943-F2051 WeakPolarHBondContact OG-CE2 3.05Å; V1994-F2051 HydrophobicContact CG2-CD1 3.67Å; V1994-F2051 HydrophobicContact CG2-CE1 3.65Å; L2008-F2051 HydrophobicContact CB-CE2 4.1Å; L2008-F2051 HydrophobicContact CB-CZ 3.83Å; V2009-F2051 HydrophobicContact CG2-CE1 4.34Å; V2009-F2051 HydrophobicContact CG2-CE2 3.69Å; V2009-F2051 HydrophobicContact CG2-CZ 3.5Å; D2049-F2051 WeakPolarHBondContact OD1-CA 3.29Å; D2049-F2051 WeakPolarHBondContact OD1-CB 3.15Å; D2049-F2051 PolarHBondContact OD1-N 2.04Å
2052	S	50.7	Low	73.8	Confident	12 Å²	12	23.1 Å²	23.1	8%	0.084	13%	0.125	C	C	.	.			trans	-115.6	158.6	-177.9	61.2	0	0	0	0	115.6	D2049 C2056 G2105 H2106	D2049-S2052 WeakPolarHBondContact OD2-CB 3.46Å; D2049-S2052 PolarHBondContact OD2-OG 3.42Å; S2052-C2056 WeakPolarHBondContact CB-O 3.49Å; S2052-C2056 PolarHBondContact OG-O 2.82Å; S2052-G2105 WeakPolarHBondContact O-CA 3.48Å; S2052-G2105 PolarHBondContact OG-N 2.84Å; S2052-G2105 VanDerWaalsContact OG-N 3.09Å; S2052-H2106 PolarHBondContact O-N 2.89Å
2053	S	52.8	Low	74.2	Confident	43 Å²	43	22.1 Å²	22.1	30%	0.301	12%	0.12	S	C	.	.			trans	-76.9	171	156.6	74.5	0	0	0	0	111	V2055 C2056	S2053-V2055 PolarHBondContact O-N 3.29Å; S2053-V2055 PolarHBondContact OG-N 3.25Å; S2053-C2056 PolarHBondContact O-N 3.12Å
2054	T	56.8	Low	74.3	Confident	41 Å²	41	21 Å²	21	25%	0.252	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-26.4	169.2	42.3	0	0	0	0	114.3	N2085 V2087	T2054-N2085 HydrophobicContact CG2-CB 3.69Å; T2054-N2085 WeakPolarHBondContact CG2-O 2.99Å; T2054-V2087 HydrophobicContact CG2-CG2 4Å; T2054-V2087 VanDerWaalsContact O-CG2 3.25Å; T2054-V2087 WeakPolarHBondContact O-CG2 3.43Å
2055	V	55.4	Low	74.2	Confident	81 Å²	81	20.9 Å²	20.9	49%	0.491	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-14.8	-169.8	-162.1	0	0	0	0	112.6	P1956 S2053	P1956-V2055 HydrophobicContact CG-CB 4.38Å; P1956-V2055 HydrophobicContact CG-CG1 3.7Å; S2053-V2055 PolarHBondContact O-N 3.29Å; S2053-V2055 PolarHBondContact OG-N 3.25Å
2056	C	54.7	Low	73.9	Confident	13 Å²	13	24.6 Å²	24.6	9%	0.088	13%	0.126	C	C	.	.			trans	-143.9	62.2	-172.1	177.5	0	0	0	0	113.1	C1955 S2052 S2053 Q2058	C1955-C2056 HydrophobicContact CB-CB 4.09Å; C1955-C2056 WeakPolarHBondContact CB-SG 3.32Å; C1955-C2056 WeakPolarHBondContact SG-CA 3.45Å; C1955-C2056 WeakPolarHBondContact SG-CB 3.49Å; C1955-C2056 CovalentContact SG-SG 2.04Å; C1955-C2056 PolarHBondContact SG-SG 3.44Å; S2052-C2056 WeakPolarHBondContact CB-O 3.49Å; S2052-C2056 PolarHBondContact OG-O 2.82Å; S2053-C2056 PolarHBondContact O-N 3.12Å; C2056-Q2058 PolarHBondContact O-N 3.41Å; C2056-Q2058 PolarHBondContact SG-NE2 3.48Å
2057	P	67.6	Low	73.3	Confident	5 Å²	5	26.7 Å²	26.7	3%	0.032	15%	0.149	C	C	.	.			trans	-62.3	109.5	179.1	25.2	-34.1	0	0	0	112.6	V2087 R2102	P2057-V2087 HydrophobicContact CG-CG1 4.49Å; P2057-R2102 HydrophobicContact CB-CB 4.41Å; P2057-R2102 HydrophobicContact CG-CB 4.15Å
2058	Q	67.3	Low	73.2	Confident	47 Å²	47	27.8 Å²	27.8	22%	0.22	16%	0.156	C	C	.	.			trans	-86	-21.6	179.2	-58.3	-69.9	3.2	0	0	113.5	D2049 C2056 K2060	D2049-Q2058 WeakPolarHBondContact OD2-CA 3.44Å; D2049-Q2058 WeakPolarHBondContact OD2-CB 3.48Å; D2049-Q2058 PolarHBondContact OD2-N 3.19Å; C2056-Q2058 PolarHBondContact O-N 3.41Å; C2056-Q2058 PolarHBondContact SG-NE2 3.48Å; Q2058-K2060 WeakPolarHBondContact O-CD 3.48Å; Q2058-K2060 VanDerWaalsContact O-CE 3.29Å; Q2058-K2060 WeakPolarHBondContact O-CE 3.26Å; Q2058-K2060 WeakPolarHBondContact O-CG 3.34Å; Q2058-K2060 PolarHBondContact O-N 3.12Å
2059	G	76.9	Confident	73.5	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	126.4	170	0	0	0	0	0	109.9	A1941 K2048 R2102 C2103	A1941-G2059 WeakPolarHBondContact O-CA 3.13Å; K2048-G2059 WeakPolarHBondContact O-CA 3.11Å; G2059-R2102 CarbonylContact O-C 3.43Å; G2059-R2102 VanDerWaalsContact O-CA 3.24Å; G2059-R2102 WeakPolarHBondContact O-CA 3.03Å; G2059-C2103 VanDerWaalsContact CA-O 3.26Å; G2059-C2103 WeakPolarHBondContact CA-O 3.43Å; G2059-C2103 PolarHBondContact N-O 2.81Å; G2059-C2103 PolarHBondContact O-N 3.14Å
2060	K	87	Confident	74.5	Confident	21 Å²	21	26.7 Å²	26.7	9%	0.091	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	133.4	-172.5	-71.2	156.5	-159.6	173	0	110.1	Y1939 A1940 A1941 E1944 Q2058 G2101 R2102	Y1939-K2060 HydrophobicContact CE2-CB 4.01Å; A1940-K2060 CarbonylContact C-O 3.36Å; A1941-K2060 VanDerWaalsContact CB-O 3.32Å; A1941-K2060 WeakPolarHBondContact CB-O 3.24Å; A1941-K2060 PolarHBondContact N-O 3.39Å; A1941-K2060 PolarHBondContact O-N 3.02Å; E1944-K2060 WeakPolarHBondContact OE2-CD 3.03Å; E1944-K2060 IonicContact OE2-NZ 3.86Å; E1944-K2060 PolarHBondContact OE2-NZ 3.31Å; Q2058-K2060 WeakPolarHBondContact O-CD 3.48Å; Q2058-K2060 VanDerWaalsContact O-CE 3.29Å; Q2058-K2060 WeakPolarHBondContact O-CE 3.26Å; Q2058-K2060 WeakPolarHBondContact O-CG 3.34Å; Q2058-K2060 PolarHBondContact O-N 3.12Å; K2060-G2101 CarbonylContact C-O 3.45Å; K2060-G2101 WeakPolarHBondContact CA-O 3.36Å; K2060-R2102 HydrophobicContact CG-CG 4.18Å
2061	F	92.5	Very high	75.8	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	153.1	169.3	79.8	-102.2	0	0	0	112	Y1939 A1940 T2046 A2047 I2063 W2078 I2090 I2099 G2101	Y1939-F2061 CarbonylContact O-C 3.42Å; Y1939-F2061 WeakPolarHBondContact O-CA 2.94Å; Y1939-F2061 WeakPolarHBondContact O-CB 3.17Å; A1940-F2061 HydrophobicContact CB-CB 4.35Å; T2046-F2061 WeakPolarHBondContact O-CB 2.93Å; A2047-F2061 HydrophobicContact CB-CB 4.37Å; A2047-F2061 HydrophobicContact CB-CD1 3.9Å; F2061-I2063 HydrophobicContact CD2-CD1 4.34Å; F2061-I2063 HydrophobicContact CD2-CG1 4.09Å; F2061-I2063 HydrophobicContact CE2-CD1 3.91Å; F2061-I2063 HydrophobicContact CE2-CG1 4.1Å; F2061-W2078 AromaticContact CE1-CD1 3.8Å; F2061-W2078 AromaticContact CE1-NE1 3.51Å; F2061-W2078 AromaticContact CE2-CZ2 3.93Å; F2061-W2078 HydrophobicContact CE2-CZ2 3.93Å; F2061-W2078 AromaticContact CZ-CD1 3.88Å; F2061-W2078 HydrophobicContact CZ-CD2 4.12Å; F2061-W2078 AromaticContact CZ-CE2 3.41Å; F2061-W2078 VanDerWaalsContact CZ-CE2 3.41Å; F2061-W2078 HydrophobicContact CZ-CG 4.38Å; F2061-W2078 AromaticContact CZ-CZ2 3.68Å; F2061-W2078 HydrophobicContact CZ-CZ2 3.68Å; F2061-W2078 AromaticContact CZ-NE1 3.24Å; F2061-I2090 HydrophobicContact CE1-CD1 3.73Å; F2061-I2090 HydrophobicContact CZ-CD1 3.86Å; F2061-I2099 HydrophobicContact CE2-CB 4.43Å; F2061-I2099 HydrophobicContact CE2-CG2 4.15Å; F2061-I2099 HydrophobicContact CZ-CG2 4.41Å; F2061-G2101 PolarHBondContact N-O 3.15Å; F2061-G2101 PolarHBondContact O-N 2.89Å
2062	Q	92	Very high	77.7	Confident	48 Å²	48	26.1 Å²	26.1	22%	0.224	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	118.6	172.3	-175.8	167.4	-78.5	0	0	109.7	I1937 N1938 Y1939 L2098 I2099	I1937-Q2062 PolarHBondContact O-NE2 2.82Å; N1938-Q2062 WeakPolarHBondContact CA-O 2.92Å; Y1939-Q2062 HydrophobicContact CD1-CB 3.9Å; Y1939-Q2062 HydrophobicContact CE1-CB 3.57Å; Y1939-Q2062 PolarHBondContact N-O 2.9Å; Y1939-Q2062 PolarHBondContact O-N 2.89Å; Q2062-L2098 HydrophobicContact CG-CD1 4.16Å; Q2062-I2099 WeakPolarHBondContact CA-O 3.22Å
2063	I	93.5	Very high	79.5	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	115.1	166.4	-67.2	167.8	0	0	0	106.8	N1938 Y2044 F2061 L2065 V2072 W2078 L2098 I2099 L2116	N1938-I2063 WeakPolarHBondContact OD1-CA 3.19Å; Y2044-I2063 HydrophobicContact CE1-CD1 4.4Å; Y2044-I2063 HydrophobicContact CE1-CG1 3.99Å; Y2044-I2063 HydrophobicContact CE1-CG2 4.48Å; F2061-I2063 HydrophobicContact CD2-CD1 4.34Å; F2061-I2063 HydrophobicContact CD2-CG1 4.09Å; F2061-I2063 HydrophobicContact CE2-CD1 3.91Å; F2061-I2063 HydrophobicContact CE2-CG1 4.1Å; I2063-L2065 HydrophobicContact CG2-CD1 4.12Å; I2063-L2065 HydrophobicContact CG2-CD2 4.27Å; I2063-L2065 HydrophobicContact CG2-CG 3.8Å; I2063-V2072 HydrophobicContact CD1-CG2 4.34Å; I2063-V2072 HydrophobicContact CG2-CG2 3.68Å; I2063-W2078 HydrophobicContact CD1-CH2 4.26Å; I2063-W2078 HydrophobicContact CD1-CZ2 3.73Å; I2063-L2098 CarbonylContact O-C 3.55Å; I2063-L2098 WeakPolarHBondContact O-CA 3.41Å; I2063-I2099 HydrophobicContact CB-CB 4.07Å; I2063-I2099 HydrophobicContact CB-CG1 4.06Å; I2063-I2099 HydrophobicContact CD1-CG1 4.47Å; I2063-I2099 HydrophobicContact CG2-CG1 4.18Å; I2063-I2099 PolarHBondContact N-O 2.65Å; I2063-I2099 PolarHBondContact O-N 2.96Å; I2063-L2116 HydrophobicContact CD1-CD1 4.1Å; I2063-L2116 HydrophobicContact CD1-CD2 3.98Å
2064	D	90.8	Very high	80.9	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.011	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	102.5	175.6	-166.8	-14.8	0	0	0	110.1	Q1936 N1938 R2066 L2098	Q1936-D2064 HydrophobicContact CB-CB 3.8Å; Q1936-D2064 VanDerWaalsContact CB-CG 3.41Å; Q1936-D2064 VanDerWaalsContact CB-OD2 3.3Å; Q1936-D2064 WeakPolarHBondContact CB-OD2 3.48Å; Q1936-D2064 WeakPolarHBondContact CG-OD2 3.49Å; N1938-D2064 PolarHBondContact ND2-O 3.38Å; N1938-D2064 PolarHBondContact OD1-N 3.25Å; D2064-R2066 VanDerWaalsContact CG-NE 3.3Å; D2064-R2066 WeakPolarHBondContact OD1-CB 3.4Å; D2064-R2066 WeakPolarHBondContact OD1-CD 3.42Å; D2064-R2066 WeakPolarHBondContact OD1-CG 3.49Å; D2064-R2066 IonicContact OD1-CZ 2.77Å; D2064-R2066 PolarHBondContact OD1-N 3.34Å; D2064-R2066 IonicContact OD1-NE 2.71Å; D2064-R2066 PolarHBondContact OD1-NE 3.32Å; D2064-R2066 IonicContact OD2-CZ 3.47Å; D2064-R2066 IonicContact OD2-NE 3.14Å; D2064-R2066 PolarHBondContact OD2-NE 3.42Å; D2064-R2066 IonicContact OD2-NH2 2.73Å; D2064-R2066 PolarHBondContact OD2-NH2 2.86Å; D2064-L2098 HydrophobicContact CB-CD1 3.92Å
2065	L	91.3	Very high	82	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.01	18%	0.183	C	C	.	.			trans	-97.7	7.2	-179.2	-59.3	177.1	0	0	0	111.8	L1934 I2063 G2067 T2068 F2070 V2072 Q2097 L2118	L1934-L2065 HydrophobicContact CD2-CD2 3.85Å; I2063-L2065 HydrophobicContact CG2-CD1 4.12Å; I2063-L2065 HydrophobicContact CG2-CD2 4.27Å; I2063-L2065 HydrophobicContact CG2-CG 3.8Å; L2065-G2067 PolarHBondContact O-N 3.45Å; L2065-T2068 WeakPolarHBondContact O-CB 3.43Å; L2065-T2068 PolarHBondContact O-N 2.77Å; L2065-T2068 PolarHBondContact O-OG1 3.32Å; L2065-F2070 HydrophobicContact CD1-CB 4.23Å; L2065-V2072 HydrophobicContact CD1-CG2 3.77Å; L2065-Q2097 PolarHBondContact N-O 3.24Å; L2065-L2118 HydrophobicContact CD1-CD2 3.79Å
2066	R	85	Confident	83.6	Confident	79 Å²	79	29.9 Å²	29.9	30%	0.298	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	125.3	-179.9	-62	176.8	-60.4	152	2.8	109.6	Q1936 D2064 Q2097	Q1936-R2066 HydrophobicContact CG-CB 4.43Å; D2064-R2066 VanDerWaalsContact CG-NE 3.3Å; D2064-R2066 WeakPolarHBondContact OD1-CB 3.4Å; D2064-R2066 WeakPolarHBondContact OD1-CD 3.42Å; D2064-R2066 WeakPolarHBondContact OD1-CG 3.49Å; D2064-R2066 IonicContact OD1-CZ 2.77Å; D2064-R2066 PolarHBondContact OD1-N 3.34Å; D2064-R2066 IonicContact OD1-NE 2.71Å; D2064-R2066 PolarHBondContact OD1-NE 3.32Å; D2064-R2066 IonicContact OD2-CZ 3.47Å; D2064-R2066 IonicContact OD2-NE 3.14Å; D2064-R2066 PolarHBondContact OD2-NE 3.42Å; D2064-R2066 IonicContact OD2-NH2 2.73Å; D2064-R2066 PolarHBondContact OD2-NH2 2.86Å; R2066-Q2097 HydrophobicContact CG-CB 3.99Å
2067	G	77	Confident	85	Confident	49 Å²	49	38 Å²	38	51%	0.505	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	0	-171.3	0	0	0	0	0	115	L2065	L2065-G2067 PolarHBondContact O-N 3.45Å
2068	T	85.3	Confident	86	Confident	23 Å²	23	39 Å²	39	14%	0.141	19%	0.193	C	C	.	.	S	Bend	trans	-103.2	168.9	164.8	79.8	0	0	0	0	111	I1932 L2065 F2070	I1932-T2068 HydrophobicContact CG2-CG2 3.98Å; L2065-T2068 WeakPolarHBondContact O-CB 3.43Å; L2065-T2068 PolarHBondContact O-N 2.77Å; L2065-T2068 PolarHBondContact O-OG1 3.32Å; T2068-F2070 PolarHBondContact O-N 3.16Å; T2068-F2070 PolarHBondContact OG1-N 3.49Å
2069	S	82.7	Confident	86.5	Confident	34 Å²	34	38.6 Å²	38.6	24%	0.238	19%	0.193	C	C	.	.	S	Bend	trans	-80	5.3	172.7	-57	0	0	0	0	114.1	K2121	S2069-K2121 PolarHBondContact O-N 2.81Å
2070	F	90.7	Very high	86.2	Confident	1 Å²	1	40 Å²	40	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	157.3	-174.1	-61.4	-78.2	0	0	0	113.1	V1916 I1918 I1932 L2019 L2024 L2065 T2068 Q2097 L2118 E2119 L2120	V1916-F2070 HydrophobicContact CG1-CE2 3.59Å; V1916-F2070 HydrophobicContact CG1-CZ 3.67Å; I1918-F2070 HydrophobicContact CD1-CE2 4.34Å; I1918-F2070 HydrophobicContact CD1-CZ 4.36Å; I1932-F2070 HydrophobicContact CD1-CD2 3.68Å; I1932-F2070 HydrophobicContact CD1-CE2 3.66Å; I1932-F2070 HydrophobicContact CD1-CG 4.29Å; I1932-F2070 HydrophobicContact CD1-CZ 4.25Å; I1932-F2070 HydrophobicContact CG1-CD2 4.13Å; I1932-F2070 HydrophobicContact CG1-CE2 3.75Å; I1932-F2070 HydrophobicContact CG1-CZ 4.47Å; I1932-F2070 HydrophobicContact CG2-CD2 4.3Å; I1932-F2070 HydrophobicContact CG2-CE2 4.48Å; L2019-F2070 HydrophobicContact CD2-CE1 4.14Å; L2019-F2070 HydrophobicContact CD2-CE2 4.31Å; L2019-F2070 HydrophobicContact CD2-CZ 3.62Å; L2024-F2070 HydrophobicContact CD2-CE1 3.85Å; L2065-F2070 HydrophobicContact CD1-CB 4.23Å; T2068-F2070 PolarHBondContact O-N 3.16Å; T2068-F2070 PolarHBondContact OG1-N 3.49Å; F2070-Q2097 PolarHBondContact O-NE2 2.77Å; F2070-L2118 HydrophobicContact CB-CB 4.41Å; F2070-L2118 HydrophobicContact CB-CD1 3.99Å; F2070-L2118 HydrophobicContact CD1-CB 3.96Å; F2070-L2118 HydrophobicContact CD1-CD1 4.03Å; F2070-L2118 HydrophobicContact CD2-CD1 4.42Å; F2070-L2118 HydrophobicContact CG-CB 4.47Å; F2070-L2118 HydrophobicContact CG-CD1 3.9Å; F2070-E2119 WeakPolarHBondContact CA-O 3.22Å; F2070-L2120 HydrophobicContact CD1-CD2 3.91Å; F2070-L2120 HydrophobicContact CE1-CD2 3.61Å; F2070-L2120 HydrophobicContact CZ-CD2 4.32Å
2071	K	90.5	Very high	85	Confident	45 Å²	45	42.6 Å²	42.6	20%	0.196	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	157.1	162.9	48.6	161.2	173.3	151.3	0	108.2	S2073 Q2097 L2118 E2119 L2120	K2071-S2073 PolarHBondContact O-N 3.39Å; K2071-Q2097 HydrophobicContact CB-CG 4.16Å; K2071-L2118 WeakPolarHBondContact O-CA 3.31Å; K2071-E2119 HydrophobicContact CD-CB 4.28Å; K2071-E2119 WeakPolarHBondContact CE-OE2 3.29Å; K2071-E2119 HydrophobicContact CG-CB 4.02Å; K2071-E2119 WeakPolarHBondContact CG-O 3.25Å; K2071-E2119 PolarHBondContact N-O 3.05Å; K2071-E2119 IonicContact NZ-OE2 3.63Å; K2071-E2119 PolarHBondContact NZ-OE2 2.95Å; K2071-E2119 PolarHBondContact O-N 3.08Å; K2071-E2119 VanDerWaalsContact O-O 3.11Å; K2071-L2120 VanDerWaalsContact CE-O 3.26Å; K2071-L2120 WeakPolarHBondContact CE-O 3.18Å
2072	V	91.2	Very high	83	Confident	1 Å²	1	52 Å²	52	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	124.8	174.8	-177.1	0	0	0	0	110	I2063 L2065 T2076 W2078 R2092 S2096 I2099 L2116 L2118	I2063-V2072 HydrophobicContact CD1-CG2 4.34Å; I2063-V2072 HydrophobicContact CG2-CG2 3.68Å; L2065-V2072 HydrophobicContact CD1-CG2 3.77Å; V2072-T2076 HydrophobicContact CG1-CG2 3.86Å; V2072-W2078 HydrophobicContact CG1-CH2 3.94Å; V2072-R2092 PolarHBondContact O-NH1 2.71Å; V2072-S2096 PolarHBondContact N-O 3.35Å; V2072-S2096 WeakPolarHBondContact O-CB 3.46Å; V2072-I2099 HydrophobicContact CB-CD1 3.98Å; V2072-I2099 HydrophobicContact CB-CG1 4.11Å; V2072-I2099 HydrophobicContact CG2-CD1 4.09Å; V2072-I2099 HydrophobicContact CG2-CG1 3.7Å; V2072-L2116 HydrophobicContact CG1-CD1 3.62Å; V2072-L2116 HydrophobicContact CG2-CD1 4.36Å; V2072-L2118 HydrophobicContact CG2-CD2 4.06Å
2073	S	89	Confident	81.3	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.007	29%	0.291	C	S	.	.			trans	-55.3	149.9	-175.7	178	0	0	0	0	112.6	K2071 K2075 T2076 R2092 F2117 E2119	K2071-S2073 PolarHBondContact O-N 3.39Å; S2073-K2075 PolarHBondContact O-N 3.3Å; S2073-K2075 WeakPolarHBondContact OG-CB 3.36Å; S2073-K2075 WeakPolarHBondContact OG-CG 3.29Å; S2073-K2075 PolarHBondContact OG-N 2.78Å; S2073-T2076 WeakPolarHBondContact O-CB 3.34Å; S2073-T2076 PolarHBondContact O-N 3.33Å; S2073-R2092 PolarHBondContact O-NH1 2.87Å; S2073-R2092 PolarHBondContact O-NH2 2.77Å; S2073-F2117 VanDerWaalsContact CB-O 3.22Å; S2073-F2117 WeakPolarHBondContact CB-O 3.33Å; S2073-F2117 PolarHBondContact N-O 2.79Å; S2073-E2119 WeakPolarHBondContact CA-OE1 3.15Å; S2073-E2119 VanDerWaalsContact CB-OE1 3.22Å; S2073-E2119 WeakPolarHBondContact CB-OE1 3.47Å; S2073-E2119 PolarHBondContact OG-OE1 3.05Å
2074	V	82.4	Confident	79.5	Confident	105 Å²	105	60.4 Å²	60.4	64%	0.636	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.8	169.1	-63.4	0	0	0	0	112.9	T2076 E2119	V2074-T2076 VanDerWaalsContact C-N 3.33Å; V2074-E2119 PolarHBondContact N-OE1 2.87Å
2075	K	79.8	Confident	77.8	Confident	148 Å²	148	66 Å²	66	64%	0.643	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-32.5	170.1	-61.8	172.5	-177.2	170.3	0	111.9	S2073 R2077	S2073-K2075 PolarHBondContact O-N 3.3Å; S2073-K2075 WeakPolarHBondContact OG-CB 3.36Å; S2073-K2075 WeakPolarHBondContact OG-CG 3.29Å; S2073-K2075 PolarHBondContact OG-N 2.78Å; K2075-R2077 PolarHBondContact O-N 3.17Å
2076	T	87.9	Confident	76.4	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.018	35%	0.345	C	S	.	.			trans	-70.1	114.1	179.8	-56.7	0	0	0	0	110.7	V2072 S2073 V2074 W2078 R2092 P2112 L2116 F2117	V2072-T2076 HydrophobicContact CG1-CG2 3.86Å; S2073-T2076 WeakPolarHBondContact O-CB 3.34Å; S2073-T2076 PolarHBondContact O-N 3.33Å; V2074-T2076 VanDerWaalsContact C-N 3.33Å; T2076-W2078 HydrophobicContact CG2-CE3 4.34Å; T2076-W2078 HydrophobicContact CG2-CH2 3.84Å; T2076-W2078 HydrophobicContact CG2-CZ2 4.15Å; T2076-W2078 HydrophobicContact CG2-CZ3 3.93Å; T2076-R2092 PolarHBondContact O-NH2 2.92Å; T2076-P2112 HydrophobicContact CG2-CB 3.69Å; T2076-L2116 HydrophobicContact CG2-CD1 3.66Å; T2076-F2117 PolarHBondContact OG1-N 2.94Å; T2076-F2117 PolarHBondContact OG1-O 2.88Å
2077	R	85.3	Confident	75.5	Confident	182 Å²	182	64.5 Å²	64.5	69%	0.687	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.4	172.3	-62.7	-178.2	-179.8	-169.1	-0.8	108.8	K2075 P2112 Q2113	K2075-R2077 PolarHBondContact O-N 3.17Å; R2077-P2112 CarbonylContact O-C 3.52Å; R2077-P2112 WeakPolarHBondContact O-CA 3.32Å; R2077-Q2113 PolarHBondContact N-O 2.03Å; R2077-Q2113 PolarHBondContact O-N 2.88Å; R2077-Q2113 VanDerWaalsContact O-O 3.13Å
2078	W	87.4	Confident	75.4	Confident	27 Å²	27	64 Å²	64	10%	0.102	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	128.4	170.1	-76	-96	0	0	0	109.3	G2045 F2061 I2063 V2072 T2076 I2090 I2099 C2110 W2111 P2112 L2116	G2045-W2078 PolarHBondContact O-NE1 3.28Å; F2061-W2078 AromaticContact CE1-CD1 3.8Å; F2061-W2078 AromaticContact CE1-NE1 3.51Å; F2061-W2078 AromaticContact CE2-CZ2 3.93Å; F2061-W2078 HydrophobicContact CE2-CZ2 3.93Å; F2061-W2078 AromaticContact CZ-CD1 3.88Å; F2061-W2078 HydrophobicContact CZ-CD2 4.12Å; F2061-W2078 AromaticContact CZ-CE2 3.41Å; F2061-W2078 VanDerWaalsContact CZ-CE2 3.41Å; F2061-W2078 HydrophobicContact CZ-CG 4.38Å; F2061-W2078 AromaticContact CZ-CZ2 3.68Å; F2061-W2078 HydrophobicContact CZ-CZ2 3.68Å; F2061-W2078 AromaticContact CZ-NE1 3.24Å; I2063-W2078 HydrophobicContact CD1-CH2 4.26Å; I2063-W2078 HydrophobicContact CD1-CZ2 3.73Å; V2072-W2078 HydrophobicContact CG1-CH2 3.94Å; T2076-W2078 HydrophobicContact CG2-CE3 4.34Å; T2076-W2078 HydrophobicContact CG2-CH2 3.84Å; T2076-W2078 HydrophobicContact CG2-CZ2 4.15Å; T2076-W2078 HydrophobicContact CG2-CZ3 3.93Å; W2078-I2090 HydrophobicContact CB-CD1 4.11Å; W2078-I2090 HydrophobicContact CB-CG1 3.82Å; W2078-I2090 HydrophobicContact CD2-CD1 4.38Å; W2078-I2090 HydrophobicContact CD2-CG1 4.24Å; W2078-I2090 HydrophobicContact CD2-CG2 4.25Å; W2078-I2090 HydrophobicContact CE3-CG1 4.34Å; W2078-I2090 HydrophobicContact CE3-CG2 3.78Å; W2078-I2090 HydrophobicContact CG-CD1 3.99Å; W2078-I2090 HydrophobicContact CG-CG1 4.02Å; W2078-I2090 HydrophobicContact CZ3-CG2 4.01Å; W2078-I2099 HydrophobicContact CH2-CB 4.48Å; W2078-I2099 HydrophobicContact CH2-CG1 4.26Å; W2078-I2099 HydrophobicContact CH2-CG2 3.83Å; W2078-I2099 HydrophobicContact CZ2-CG2 4.39Å; W2078-I2099 HydrophobicContact CZ3-CG2 4.15Å; W2078-C2110 HydrophobicContact CB-CB 4.27Å; W2078-W2111 WeakPolarHBondContact CA-O 3.12Å; W2078-P2112 HydrophobicContact CZ2-CB 4.48Å; W2078-L2116 HydrophobicContact CZ2-CD1 4.34Å
2079	T	79.1	Confident	75	Confident	38 Å²	38	67.1 Å²	67.1	23%	0.233	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.2	174.2	51.5	0	0	0	0	108.9	C2110 W2111 Q2113	T2079-C2110 VanDerWaalsContact O-CA 3.29Å; T2079-C2110 WeakPolarHBondContact O-CA 3.07Å; T2079-W2111 PolarHBondContact N-O 3.36Å; T2079-W2111 PolarHBondContact O-N 3.32Å; T2079-Q2113 HydrophobicContact CG2-CB 4.18Å; T2079-Q2113 WeakPolarHBondContact OG1-CB 3.31Å; T2079-Q2113 PolarHBondContact OG1-OE1 3.24Å
2080	S	70.5	Confident	75.1	Confident	29 Å²	29	67.8 Å²	67.8	20%	0.203	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	153.1	155.4	46.1	0	0	0	0	109.3	Q2082 G2086 G2109	S2080-Q2082 PolarHBondContact O-N 2.8Å; S2080-Q2082 VanDerWaalsContact O-N 3.14Å; S2080-G2086 VanDerWaalsContact CB-O 3.27Å; S2080-G2086 WeakPolarHBondContact CB-O 3.09Å; S2080-G2086 PolarHBondContact OG-O 2.01Å; S2080-G2109 WeakPolarHBondContact CA-O 3.35Å
2081	N	61.7	Low	74.6	Confident	76 Å²	76	71.6 Å²	71.6	41%	0.406	36%	0.361	S	S	.	.			trans	-64.7	115	176.9	-81	0.2	0	0	0	110.3	I2083 T2084 W2111	N2081-I2083 PolarHBondContact O-N 2.84Å; N2081-T2084 PolarHBondContact O-N 2.81Å; N2081-W2111 PolarHBondContact OD1-NE1 2.8Å
2082	Q	50.4	Low	74.4	Confident	199 Å²	199	73.5 Å²	73.5	93%	0.93	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-5.9	-177	-64.5	-179.3	-18.1	0	0	115.6	S2080	S2080-Q2082 PolarHBondContact O-N 2.8Å; S2080-Q2082 VanDerWaalsContact O-N 3.14Å
2083	I	55.7	Low	73.6	Confident	160 Å²	160	77.6 Å²	77.6	82%	0.821	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-23.6	-177.9	-58	174.4	0	0	0	111.5	N2081	N2081-I2083 PolarHBondContact O-N 2.84Å
2084	T	54.9	Low	73	Confident	65 Å²	65	83.1 Å²	83.1	40%	0.399	41%	0.414	S	S	.	.	S	Bend	trans	-136.9	154	178.5	41.8	0	0	0	0	110.9	N2081 G2086 T2108	N2081-T2084 PolarHBondContact O-N 2.81Å; T2084-G2086 VanDerWaalsContact C-N 3.31Å; T2084-G2086 PolarHBondContact O-N 2.79Å; T2084-T2108 WeakPolarHBondContact OG1-CG2 3.35Å
2085	N	55.6	Low	72.7	Confident	119 Å²	119	84.8 Å²	84.8	64%	0.636	42%	0.419	S	S	*	.			trans	-70.1	85.3	-176.8	-74	-22.5	0	0	0	111.1	T2054 H2106	T2054-N2085 HydrophobicContact CG2-CB 3.69Å; T2054-N2085 WeakPolarHBondContact CG2-O 2.99Å; N2085-H2106 PolarHBondContact O-ND1 3.37Å
2086	G	61.5	Low	72.9	Confident	13 Å²	13	78.6 Å²	78.6	13%	0.134	40%	0.395	C	S	.	.			trans	-108.3	131.5	177.8	0	0	0	0	0	112.5	S2080 T2084 G2104 T2108	S2080-G2086 VanDerWaalsContact CB-O 3.27Å; S2080-G2086 WeakPolarHBondContact CB-O 3.09Å; S2080-G2086 PolarHBondContact OG-O 2.01Å; T2084-G2086 VanDerWaalsContact C-N 3.31Å; T2084-G2086 PolarHBondContact O-N 2.79Å; G2086-G2104 CarbonylContact C-O 3.53Å; G2086-G2104 WeakPolarHBondContact CA-O 3.29Å; G2086-T2108 WeakPolarHBondContact CA-OG1 3.49Å
2087	V	67	Low	72.7	Confident	36 Å²	36	79.4 Å²	79.4	22%	0.218	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	142.5	-177.3	177.3	0	0	0	0	110.2	T2054 P2057 H2089 C2103 G2104	T2054-V2087 HydrophobicContact CG2-CG2 4Å; T2054-V2087 VanDerWaalsContact O-CG2 3.25Å; T2054-V2087 WeakPolarHBondContact O-CG2 3.43Å; P2057-V2087 HydrophobicContact CG-CG1 4.49Å; V2087-H2089 VanDerWaalsContact CG1-CE1 3.41Å; V2087-H2089 WeakPolarHBondContact CG1-CE1 3.35Å; V2087-H2089 WeakPolarHBondContact CG1-NE2 3.26Å; V2087-C2103 VanDerWaalsContact O-CA 3.27Å; V2087-C2103 WeakPolarHBondContact O-CA 3.31Å; V2087-G2104 PolarHBondContact N-O 2.61Å; V2087-G2104 PolarHBondContact O-N 3.44Å
2088	S	74.5	Confident	72.8	Confident	39 Å²	39	71.8 Å²	71.8	27%	0.273	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	109.1	175.7	56.3	0	0	0	0	111.2	R2102	S2088-R2102 CarbonylContact C-O 3.4Å; S2088-R2102 WeakPolarHBondContact CA-O 3.4Å
2089	H	76.6	Confident	73	Confident	89 Å²	89	70.5 Å²	70.5	41%	0.412	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	97.5	174.7	-56.6	-57.3	0	0	0	109	V2087 G2101 R2102	V2087-H2089 VanDerWaalsContact CG1-CE1 3.41Å; V2087-H2089 WeakPolarHBondContact CG1-CE1 3.35Å; V2087-H2089 WeakPolarHBondContact CG1-NE2 3.26Å; H2089-G2101 WeakPolarHBondContact O-CA 3.44Å; H2089-R2102 HydrophobicContact CB-CB 4.41Å; H2089-R2102 PolarHBondContact N-O 3.15Å; H2089-R2102 PolarHBondContact O-N 3.26Å
2090	I	84.5	Confident	73.4	Confident	47 Å²	47	70.8 Å²	70.8	24%	0.241	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.6	-178.3	-48.2	-54.5	0	0	0	110.6	F2061 W2078 I2099	F2061-I2090 HydrophobicContact CE1-CD1 3.73Å; F2061-I2090 HydrophobicContact CZ-CD1 3.86Å; W2078-I2090 HydrophobicContact CB-CD1 4.11Å; W2078-I2090 HydrophobicContact CB-CG1 3.82Å; W2078-I2090 HydrophobicContact CD2-CD1 4.38Å; W2078-I2090 HydrophobicContact CD2-CG1 4.24Å; W2078-I2090 HydrophobicContact CD2-CG2 4.25Å; W2078-I2090 HydrophobicContact CE3-CG1 4.34Å; W2078-I2090 HydrophobicContact CE3-CG2 3.78Å; W2078-I2090 HydrophobicContact CG-CD1 3.99Å; W2078-I2090 HydrophobicContact CG-CG1 4.02Å; W2078-I2090 HydrophobicContact CZ3-CG2 4.01Å; I2090-I2099 HydrophobicContact CG2-CG2 3.51Å
2091	H	80.6	Confident	74	Confident	81 Å²	81	69.4 Å²	69.4	38%	0.375	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	111	178.1	-59.4	-95.7	0	0	0	109.5	I2099 Y2100	H2091-I2099 WeakPolarHBondContact O-CA 3.25Å; H2091-Y2100 PolarHBondContact N-O 2.9Å; H2091-Y2100 PolarHBondContact O-N 2.97Å
2092	R	85.9	Confident	75.1	Confident	86 Å²	86	67.4 Å²	67.4	33%	0.325	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121.1	171.6	-65.7	-171.6	162.6	-118.9	7.6	109.5	V2072 S2073 T2076 S2096 I2099	V2072-R2092 PolarHBondContact O-NH1 2.71Å; S2073-R2092 PolarHBondContact O-NH1 2.87Å; S2073-R2092 PolarHBondContact O-NH2 2.77Å; T2076-R2092 PolarHBondContact O-NH2 2.92Å; R2092-S2096 VanDerWaalsContact NH1-CB 3.29Å; R2092-S2096 PolarHBondContact NH1-OG 2.99Å; R2092-I2099 HydrophobicContact CB-CD1 4.3Å; R2092-I2099 HydrophobicContact CG-CD1 3.83Å; R2092-I2099 HydrophobicContact CG-CG2 4.5Å
2093	L	75.3	Confident	76.5	Confident	86 Å²	86	58 Å²	58	45%	0.45	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	156	-177.5	-61.2	174.5	0	0	0	110.4	D2095 S2096 Q2097 L2098	L2093-D2095 PolarHBondContact O-N 2.89Å; L2093-S2096 PolarHBondContact O-N 2.89Å; L2093-S2096 VanDerWaalsContact O-N 3.16Å; L2093-Q2097 PolarHBondContact O-N 2.76Å; L2093-L2098 HydrophobicContact CB-CB 4.12Å; L2093-L2098 HydrophobicContact CB-CD2 4.12Å; L2093-L2098 HydrophobicContact CB-CG 4.18Å; L2093-L2098 HydrophobicContact CD1-CD2 3.94Å; L2093-L2098 HydrophobicContact CD1-CG 4.38Å; L2093-L2098 PolarHBondContact N-O 3.34Å; L2093-L2098 PolarHBondContact O-N 3.34Å; L2093-L2098 VanDerWaalsContact O-O 3.04Å
2094	Q	75.5	Confident	77.1	Confident	118 Å²	118	50.3 Å²	50.3	55%	0.551	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	45.6	63.7	177.3	-56.9	-168	1.3	0	0	113.2	S2096 Q2097	Q2094-S2096 PolarHBondContact O-N 3.42Å; Q2094-S2096 VanDerWaalsContact O-N 3.14Å; Q2094-Q2097 WeakPolarHBondContact O-CB 3.38Å; Q2094-Q2097 WeakPolarHBondContact O-CG 3.31Å; Q2094-Q2097 PolarHBondContact O-N 3.36Å
2095	D	78	Confident	77.5	Confident	140 Å²	140	47.2 Å²	47.2	75%	0.749	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	52.1	34.8	179.8	-57.1	-25.7	0	0	0	114.9	L2093 Q2097	L2093-D2095 PolarHBondContact O-N 2.89Å; D2095-Q2097 VanDerWaalsContact C-N 3.28Å; D2095-Q2097 PolarHBondContact O-N 3.15Å
2096	S	82.2	Confident	77.9	Confident	18 Å²	18	46.4 Å²	46.4	13%	0.126	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	64.9	22.1	-174.5	-51.5	0	0	0	0	115	V2072 R2092 L2093 Q2094 L2098	V2072-S2096 PolarHBondContact N-O 3.35Å; V2072-S2096 WeakPolarHBondContact O-CB 3.46Å; R2092-S2096 VanDerWaalsContact NH1-CB 3.29Å; R2092-S2096 PolarHBondContact NH1-OG 2.99Å; L2093-S2096 PolarHBondContact O-N 2.89Å; L2093-S2096 VanDerWaalsContact O-N 3.16Å; Q2094-S2096 PolarHBondContact O-N 3.42Å; Q2094-S2096 VanDerWaalsContact O-N 3.14Å; S2096-L2098 VanDerWaalsContact C-N 3.35Å
2097	Q	84.8	Confident	77.9	Confident	19 Å²	19	47.8 Å²	47.8	9%	0.089	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-19.7	163.8	-59.6	-149.6	-95.3	0	0	112.5	L2065 R2066 F2070 K2071 L2093 Q2094 D2095	L2065-Q2097 PolarHBondContact N-O 3.24Å; R2066-Q2097 HydrophobicContact CG-CB 3.99Å; F2070-Q2097 PolarHBondContact O-NE2 2.77Å; K2071-Q2097 HydrophobicContact CB-CG 4.16Å; L2093-Q2097 PolarHBondContact O-N 2.76Å; Q2094-Q2097 WeakPolarHBondContact O-CB 3.38Å; Q2094-Q2097 WeakPolarHBondContact O-CG 3.31Å; Q2094-Q2097 PolarHBondContact O-N 3.36Å; D2095-Q2097 VanDerWaalsContact C-N 3.28Å; D2095-Q2097 PolarHBondContact O-N 3.15Å
2098	L	88.2	Confident	78.1	Confident	22 Å²	22	46.2 Å²	46.2	12%	0.115	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.2	173.6	174.8	63.1	0	0	0	109.7	Q2062 I2063 D2064 L2093 S2096	Q2062-L2098 HydrophobicContact CG-CD1 4.16Å; I2063-L2098 CarbonylContact O-C 3.55Å; I2063-L2098 WeakPolarHBondContact O-CA 3.41Å; D2064-L2098 HydrophobicContact CB-CD1 3.92Å; L2093-L2098 HydrophobicContact CB-CB 4.12Å; L2093-L2098 HydrophobicContact CB-CD2 4.12Å; L2093-L2098 HydrophobicContact CB-CG 4.18Å; L2093-L2098 HydrophobicContact CD1-CD2 3.94Å; L2093-L2098 HydrophobicContact CD1-CG 4.38Å; L2093-L2098 PolarHBondContact N-O 3.34Å; L2093-L2098 PolarHBondContact O-N 3.34Å; L2093-L2098 VanDerWaalsContact O-O 3.04Å; S2096-L2098 VanDerWaalsContact C-N 3.35Å
2099	I	91	Very high	78.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.5	174.2	-34.3	-71.2	0	0	0	108.4	F2061 Q2062 I2063 V2072 W2078 I2090 H2091 R2092	F2061-I2099 HydrophobicContact CE2-CB 4.43Å; F2061-I2099 HydrophobicContact CE2-CG2 4.15Å; F2061-I2099 HydrophobicContact CZ-CG2 4.41Å; Q2062-I2099 WeakPolarHBondContact CA-O 3.22Å; I2063-I2099 HydrophobicContact CB-CB 4.07Å; I2063-I2099 HydrophobicContact CB-CG1 4.06Å; I2063-I2099 HydrophobicContact CD1-CG1 4.47Å; I2063-I2099 HydrophobicContact CG2-CG1 4.18Å; I2063-I2099 PolarHBondContact N-O 2.65Å; I2063-I2099 PolarHBondContact O-N 2.96Å; V2072-I2099 HydrophobicContact CB-CD1 3.98Å; V2072-I2099 HydrophobicContact CB-CG1 4.11Å; V2072-I2099 HydrophobicContact CG2-CD1 4.09Å; V2072-I2099 HydrophobicContact CG2-CG1 3.7Å; W2078-I2099 HydrophobicContact CH2-CB 4.48Å; W2078-I2099 HydrophobicContact CH2-CG1 4.26Å; W2078-I2099 HydrophobicContact CH2-CG2 3.83Å; W2078-I2099 HydrophobicContact CZ2-CG2 4.39Å; W2078-I2099 HydrophobicContact CZ3-CG2 4.15Å; I2090-I2099 HydrophobicContact CG2-CG2 3.51Å; H2091-I2099 WeakPolarHBondContact O-CA 3.25Å; R2092-I2099 HydrophobicContact CB-CD1 4.3Å; R2092-I2099 HydrophobicContact CG-CD1 3.83Å; R2092-I2099 HydrophobicContact CG-CG2 4.5Å
2100	Y	86.3	Confident	78.6	Confident	44 Å²	44	40.1 Å²	40.1	17%	0.173	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.7	169	178.5	-103.3	0	0	0	109.2	W1954 H2091 R2102	W1954-Y2100 HydrophobicContact CZ3-CE1 4.42Å; H2091-Y2100 PolarHBondContact N-O 2.9Å; H2091-Y2100 PolarHBondContact O-N 2.97Å; Y2100-R2102 HydrophobicContact CE1-CG 3.73Å; Y2100-R2102 PolarHBondContact OH-NE 3.47Å; Y2100-R2102 PolarHBondContact OH-NH2 2.83Å
2101	G	84.5	Confident	78.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.9	-179.8	0	0	0	0	0	112.3	K2060 F2061 H2089	K2060-G2101 CarbonylContact C-O 3.45Å; K2060-G2101 WeakPolarHBondContact CA-O 3.36Å; F2061-G2101 PolarHBondContact N-O 3.15Å; F2061-G2101 PolarHBondContact O-N 2.89Å; H2089-G2101 WeakPolarHBondContact O-CA 3.44Å
2102	R	84.3	Confident	79.1	Confident	35 Å²	35	38 Å²	38	13%	0.132	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.1	160.9	-61.6	-163.3	-180	-175.1	5.6	110	W1954 P2057 G2059 K2060 S2088 H2089 Y2100	W1954-R2102 VanDerWaalsContact CE3-CZ 3.42Å; P2057-R2102 HydrophobicContact CB-CB 4.41Å; P2057-R2102 HydrophobicContact CG-CB 4.15Å; G2059-R2102 CarbonylContact O-C 3.43Å; G2059-R2102 VanDerWaalsContact O-CA 3.24Å; G2059-R2102 WeakPolarHBondContact O-CA 3.03Å; K2060-R2102 HydrophobicContact CG-CG 4.18Å; S2088-R2102 CarbonylContact C-O 3.4Å; S2088-R2102 WeakPolarHBondContact CA-O 3.4Å; H2089-R2102 HydrophobicContact CB-CB 4.41Å; H2089-R2102 PolarHBondContact N-O 3.15Å; H2089-R2102 PolarHBondContact O-N 3.26Å; Y2100-R2102 HydrophobicContact CE1-CG 3.73Å; Y2100-R2102 PolarHBondContact OH-NE 3.47Å; Y2100-R2102 PolarHBondContact OH-NH2 2.83Å
2103	C	79.6	Confident	78.8	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	139.9	-175.5	-55.9	0	0	0	0	112.1	A2047 G2059 V2087 C2110	A2047-C2103 HydrophobicContact CB-CB 3.94Å; A2047-C2103 WeakPolarHBondContact O-CB 3.45Å; G2059-C2103 VanDerWaalsContact CA-O 3.26Å; G2059-C2103 WeakPolarHBondContact CA-O 3.43Å; G2059-C2103 PolarHBondContact N-O 2.81Å; G2059-C2103 PolarHBondContact O-N 3.14Å; V2087-C2103 VanDerWaalsContact O-CA 3.27Å; V2087-C2103 WeakPolarHBondContact O-CA 3.31Å; C2103-C2110 HydrophobicContact CB-CB 3.52Å; C2103-C2110 WeakPolarHBondContact CB-SG 3.42Å; C2103-C2110 WeakPolarHBondContact SG-CB 3.11Å; C2103-C2110 CovalentContact SG-SG 2.01Å; C2103-C2110 PolarHBondContact SG-SG 2.79Å
2104	G	69.2	Low	78.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.7	-166.4	-173.9	0	0	0	0	0	115.3	G2086 V2087 T2108	G2086-G2104 CarbonylContact C-O 3.53Å; G2086-G2104 WeakPolarHBondContact CA-O 3.29Å; V2087-G2104 PolarHBondContact N-O 2.61Å; V2087-G2104 PolarHBondContact O-N 3.44Å; G2104-T2108 PolarHBondContact O-OG1 3.02Å
2105	G	62.4	Low	79.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	88.8	132	-167.4	0	0	0	0	0	112.8	S2052 C2107 T2108	S2052-G2105 WeakPolarHBondContact O-CA 3.48Å; S2052-G2105 PolarHBondContact OG-N 2.84Å; S2052-G2105 VanDerWaalsContact OG-N 3.09Å; G2105-C2107 PolarHBondContact O-N 3Å; G2105-T2108 WeakPolarHBondContact O-CB 3.3Å; G2105-T2108 WeakPolarHBondContact O-CG2 3.37Å; G2105-T2108 PolarHBondContact O-N 3.47Å; G2105-T2108 PolarHBondContact O-OG1 3.37Å
2106	H	64.4	Low	80	Confident	101 Å²	101	28.2 Å²	28.2	47%	0.468	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	45.2	169.3	-58.8	94.3	0	0	0	115.7	S2052 N2085 T2108	S2052-H2106 PolarHBondContact O-N 2.89Å; N2085-H2106 PolarHBondContact O-ND1 3.37Å; H2106-T2108 PolarHBondContact O-N 2.63Å
2107	C	61.9	Low	80.5	Confident	42 Å²	42	29.2 Å²	29.2	28%	0.284	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	13.7	-176.2	-77.8	0	0	0	0	115.1	C2002 K2048 D2049 G2105	C2002-C2107 PolarHBondContact SG-SG 2.68Å; K2048-C2107 WeakPolarHBondContact CE-O 3.24Å; D2049-C2107 CarbonylContact O-C 3.56Å; D2049-C2107 WeakPolarHBondContact O-CA 3.45Å; D2049-C2107 PolarHBondContact O-N 2.81Å; G2105-C2107 PolarHBondContact O-N 3Å
2108	T	71.4	Confident	80.9	Confident	3 Å²	3	28.6 Å²	28.6	2%	0.018	14%	0.143	C	C	.	.			trans	-78	160.3	176.4	66.7	0	0	0	0	111.5	K2048 D2049 T2084 G2086 G2104 G2105 H2106	K2048-T2108 CarbonylContact C-O 3.56Å; K2048-T2108 VanDerWaalsContact CG-O 3.3Å; K2048-T2108 WeakPolarHBondContact CG-O 3.26Å; D2049-T2108 PolarHBondContact N-O 3.3Å; T2084-T2108 WeakPolarHBondContact OG1-CG2 3.35Å; G2086-T2108 WeakPolarHBondContact CA-OG1 3.49Å; G2104-T2108 PolarHBondContact O-OG1 3.02Å; G2105-T2108 WeakPolarHBondContact O-CB 3.3Å; G2105-T2108 WeakPolarHBondContact O-CG2 3.37Å; G2105-T2108 PolarHBondContact O-N 3.47Å; G2105-T2108 PolarHBondContact O-OG1 3.37Å; H2106-T2108 PolarHBondContact O-N 2.63Å
2109	G	75.5	Confident	80.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	174.2	154.4	0	0	0	0	0	110.2	A2047 S2080	A2047-G2109 CarbonylContact O-C 3.29Å; A2047-G2109 WeakPolarHBondContact O-CA 3.41Å; S2080-G2109 WeakPolarHBondContact CA-O 3.35Å
2110	C	84.7	Confident	80.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	141	161.5	71.1	0	0	0	0	109.9	T2046 A2047 W2078 T2079 C2103	T2046-C2110 WeakPolarHBondContact CA-O 3.17Å; A2047-C2110 PolarHBondContact N-O 2.9Å; A2047-C2110 PolarHBondContact O-N 2.8Å; W2078-C2110 HydrophobicContact CB-CB 4.27Å; T2079-C2110 VanDerWaalsContact O-CA 3.29Å; T2079-C2110 WeakPolarHBondContact O-CA 3.07Å; C2103-C2110 HydrophobicContact CB-CB 3.52Å; C2103-C2110 WeakPolarHBondContact CB-SG 3.42Å; C2103-C2110 WeakPolarHBondContact SG-CB 3.11Å; C2103-C2110 CovalentContact SG-SG 2.01Å; C2103-C2110 PolarHBondContact SG-SG 2.79Å
2111	W	87.8	Confident	79.9	Confident	78 Å²	78	31.6 Å²	31.6	30%	0.295	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143.4	178.4	-4	88.8	0	0	0	109.5	T2046 K2048 W2078 T2079 N2081 Q2113	T2046-W2111 HydrophobicContact CG2-CB 4.31Å; K2048-W2111 HydrophobicContact CG-CH2 4.39Å; W2078-W2111 WeakPolarHBondContact CA-O 3.12Å; T2079-W2111 PolarHBondContact N-O 3.36Å; T2079-W2111 PolarHBondContact O-N 3.32Å; N2081-W2111 PolarHBondContact OD1-NE1 2.8Å; W2111-Q2113 PolarHBondContact O-N 3.09Å
2112	P	89	Confident	78.7	Confident	7 Å²	7	36.5 Å²	36.5	5%	0.045	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	109.6	173.5	28.4	-30.1	0	0	0	109	I2028 T2076 R2077 W2078 G2115 L2116	I2028-P2112 HydrophobicContact CD1-CG 4.43Å; I2028-P2112 HydrophobicContact CG2-CG 4.29Å; T2076-P2112 HydrophobicContact CG2-CB 3.69Å; R2077-P2112 CarbonylContact O-C 3.52Å; R2077-P2112 WeakPolarHBondContact O-CA 3.32Å; W2078-P2112 HydrophobicContact CZ2-CB 4.48Å; P2112-G2115 CarbonylContact O-C 3.53Å; P2112-G2115 VanDerWaalsContact O-C 3.31Å; P2112-G2115 WeakPolarHBondContact O-CA 3.21Å; P2112-G2115 PolarHBondContact O-N 2.74Å; P2112-L2116 HydrophobicContact CB-CB 3.87Å; P2112-L2116 HydrophobicContact CB-CD1 4.35Å; P2112-L2116 HydrophobicContact CG-CB 3.71Å
2113	Q	79	Confident	76.7	Confident	109 Å²	109	40.6 Å²	40.6	51%	0.509	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.3	-176.8	-165	177.4	13.5	0	0	109.9	R2077 T2079 W2111	R2077-Q2113 PolarHBondContact N-O 2.03Å; R2077-Q2113 PolarHBondContact O-N 2.88Å; R2077-Q2113 VanDerWaalsContact O-O 3.13Å; T2079-Q2113 HydrophobicContact CG2-CB 4.18Å; T2079-Q2113 WeakPolarHBondContact OG1-CB 3.31Å; T2079-Q2113 PolarHBondContact OG1-OE1 3.24Å; W2111-Q2113 PolarHBondContact O-N 3.09Å
2114	P	77.9	Confident	76.6	Confident	106 Å²	106	42.6 Å²	42.6	69%	0.688	23%	0.225	S	C	*	.	S	Bend	cis	-72.9	-4.3	0.3	26.3	-27.4	0	0	0	115.1	F2117	P2114-F2117 HydrophobicContact CG-CE2 3.88Å; P2114-F2117 HydrophobicContact CG-CZ 4.48Å
2115	G	84.5	Confident	76.9	Confident	7 Å²	7	44.8 Å²	44.8	7%	0.072	24%	0.237	C	C	.	.			trans	-178.1	174.4	176.4	0	0	0	0	0	109.8	P2112 F2117	P2112-G2115 CarbonylContact O-C 3.53Å; P2112-G2115 VanDerWaalsContact O-C 3.31Å; P2112-G2115 WeakPolarHBondContact O-CA 3.21Å; P2112-G2115 PolarHBondContact O-N 2.74Å; G2115-F2117 VanDerWaalsContact O-CD2 3.3Å; G2115-F2117 WeakPolarHBondContact O-CD2 3.35Å; G2115-F2117 PolarHBondContact O-N 3.4Å
2116	L	91.8	Very high	77.8	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	86.3	172.4	179.7	53.4	0	0	0	110.1	V2026 I2028 Y2044 I2063 V2072 T2076 W2078 P2112	V2026-L2116 HydrophobicContact CB-CB 4.09Å; V2026-L2116 HydrophobicContact CB-CD2 4Å; V2026-L2116 HydrophobicContact CB-CG 3.99Å; V2026-L2116 HydrophobicContact CG1-CD2 4.06Å; V2026-L2116 HydrophobicContact CG2-CD2 4.35Å; V2026-L2116 HydrophobicContact CG2-CG 4.3Å; V2026-L2116 PolarHBondContact N-O 3.3Å; I2028-L2116 HydrophobicContact CG2-CB 3.79Å; I2028-L2116 HydrophobicContact CG2-CD2 4Å; Y2044-L2116 HydrophobicContact CD1-CD2 3.45Å; Y2044-L2116 VanDerWaalsContact CD1-CD2 3.45Å; Y2044-L2116 HydrophobicContact CE1-CD2 3.69Å; I2063-L2116 HydrophobicContact CD1-CD1 4.1Å; I2063-L2116 HydrophobicContact CD1-CD2 3.98Å; V2072-L2116 HydrophobicContact CG1-CD1 3.62Å; V2072-L2116 HydrophobicContact CG2-CD1 4.36Å; T2076-L2116 HydrophobicContact CG2-CD1 3.66Å; W2078-L2116 HydrophobicContact CZ2-CD1 4.34Å; P2112-L2116 HydrophobicContact CB-CB 3.87Å; P2112-L2116 HydrophobicContact CB-CD1 4.35Å; P2112-L2116 HydrophobicContact CG-CB 3.71Å
2117	F	92.5	Very high	78.5	Confident	39 Å²	39	44.2 Å²	44.2	17%	0.171	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	139.5	175.8	-58.2	-80	0	0	0	111.1	L2024 E2025 S2073 T2076 P2114 G2115	L2024-F2117 WeakPolarHBondContact O-CA 3.48Å; E2025-F2117 HydrophobicContact CB-CD1 4.16Å; E2025-F2117 HydrophobicContact CB-CE1 3.92Å; E2025-F2117 HydrophobicContact CG-CE1 4.24Å; S2073-F2117 VanDerWaalsContact CB-O 3.22Å; S2073-F2117 WeakPolarHBondContact CB-O 3.33Å; S2073-F2117 PolarHBondContact N-O 2.79Å; T2076-F2117 PolarHBondContact OG1-N 2.94Å; T2076-F2117 PolarHBondContact OG1-O 2.88Å; P2114-F2117 HydrophobicContact CG-CE2 3.88Å; P2114-F2117 HydrophobicContact CG-CZ 4.48Å; G2115-F2117 VanDerWaalsContact O-CD2 3.3Å; G2115-F2117 WeakPolarHBondContact O-CD2 3.35Å; G2115-F2117 PolarHBondContact O-N 3.4Å
2118	L	92.4	Very high	79.6	Confident	6 Å²	6	44.3 Å²	44.3	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	155.2	168.3	-56.3	-175.4	0	0	0	110.2	I1932 L2019 L2024 V2026 L2065 F2070 K2071 V2072	I1932-L2118 HydrophobicContact CD1-CD1 3.29Å; L2019-L2118 HydrophobicContact CD1-CD1 4.14Å; L2024-L2118 WeakPolarHBondContact CB-O 3.44Å; L2024-L2118 PolarHBondContact O-N 2.77Å; V2026-L2118 HydrophobicContact CG2-CD1 3.88Å; V2026-L2118 HydrophobicContact CG2-CD2 4.42Å; V2026-L2118 HydrophobicContact CG2-CG 4.03Å; L2065-L2118 HydrophobicContact CD1-CD2 3.79Å; F2070-L2118 HydrophobicContact CB-CB 4.41Å; F2070-L2118 HydrophobicContact CB-CD1 3.99Å; F2070-L2118 HydrophobicContact CD1-CB 3.96Å; F2070-L2118 HydrophobicContact CD1-CD1 4.03Å; F2070-L2118 HydrophobicContact CD2-CD1 4.42Å; F2070-L2118 HydrophobicContact CG-CB 4.47Å; F2070-L2118 HydrophobicContact CG-CD1 3.9Å; K2071-L2118 WeakPolarHBondContact O-CA 3.31Å; V2072-L2118 HydrophobicContact CG2-CD2 4.06Å
2119	E	87.4	Confident	80.1	Confident	41 Å²	41	47.1 Å²	47.1	19%	0.192	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	148.2	162.4	-83.2	159.1	-137.5	0	0	107.5	F2070 K2071 S2073 V2074	F2070-E2119 WeakPolarHBondContact CA-O 3.22Å; K2071-E2119 HydrophobicContact CD-CB 4.28Å; K2071-E2119 WeakPolarHBondContact CE-OE2 3.29Å; K2071-E2119 HydrophobicContact CG-CB 4.02Å; K2071-E2119 WeakPolarHBondContact CG-O 3.25Å; K2071-E2119 PolarHBondContact N-O 3.05Å; K2071-E2119 IonicContact NZ-OE2 3.63Å; K2071-E2119 PolarHBondContact NZ-OE2 2.95Å; K2071-E2119 PolarHBondContact O-N 3.08Å; K2071-E2119 VanDerWaalsContact O-O 3.11Å; S2073-E2119 WeakPolarHBondContact CA-OE1 3.15Å; S2073-E2119 VanDerWaalsContact CB-OE1 3.22Å; S2073-E2119 WeakPolarHBondContact CB-OE1 3.47Å; S2073-E2119 PolarHBondContact OG-OE1 3.05Å; V2074-E2119 PolarHBondContact N-OE1 2.87Å
2120	L	83.2	Confident	80.5	Confident	23 Å²	23	50.4 Å²	50.4	12%	0.12	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	141.6	165.5	-64.7	168.6	0	0	0	109.7	I1911 E1912 V1916 F2070 K2071	I1911-L2120 WeakPolarHBondContact O-CD1 2.95Å; E1912-L2120 HydrophobicContact CB-CD1 3.63Å; V1916-L2120 HydrophobicContact CG2-CD2 3.67Å; F2070-L2120 HydrophobicContact CD1-CD2 3.91Å; F2070-L2120 HydrophobicContact CE1-CD2 3.61Å; F2070-L2120 HydrophobicContact CZ-CD2 4.32Å; K2071-L2120 VanDerWaalsContact CE-O 3.26Å; K2071-L2120 WeakPolarHBondContact CE-O 3.18Å
2121	K	73.5	Confident	80.1	Confident	65 Å²	65	54.3 Å²	54.3	28%	0.283	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-76.8	126.9	167.9	-170	-170.4	-177.3	171.2	0	108.2	S2069	S2069-K2121 PolarHBondContact O-N 2.81Å
2122	P	60.2	Low	79.5	Confident	104 Å²	104	52.3 Å²	52.3	68%	0.675	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-61.3	139.6	168.3	26.5	-32.9	0	0	0	110.3
2123	D	42.5	Very low	78.6	Confident	120 Å²	120	56.5 Å²	56.5	64%	0.642	31%	0.308	S	S	*	.			trans	-77.2	0	-167	-146.7	5	0	0	0	113.8	R490 S491	R490-D2123 IonicContact CZ-OD2 2.69Å; R490-D2123 IonicContact NE-OD1 2.75Å; R490-D2123 PolarHBondContact NE-OD1 3.34Å; R490-D2123 IonicContact NE-OD2 3.48Å; R490-D2123 PolarHBondContact NE-OD2 3.19Å; R490-D2123 IonicContact NH2-OD2 2.69Å; R490-D2123 PolarHBondContact NH2-OD2 3.49Å; S491-D2123 WeakPolarHBondContact CB-OD1 3.21Å; S491-D2123 PolarHBondContact OG-OD1 3.24Å

Retrieved 2,123 of 2,123 residues in 733.9 ms (Link to these results)

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