G4VKC5_SCHMA Loading...

Sec24-related C, d

AlphaFold DB , UniProt , Accession G4VKC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 980 aa.

						>G4VKC5_SCHMA|G4VKC5
MLHNQNGQSMYNRQSFQPEKEFGYPSVSGQHAYSALNSNVTDTYPQGHPNSSFQSPPNYYAGNQGQTFQPQSQPSYYSAQSMQSMNQPPLPPMPPVPNHQDFVQRPQQPRLPPMPPMPPGPEGVPPPSYRQPQPPGPFPLSNGANSQINTLHSQQPYQNGPVSRQPQFSQSINADRLPSPIEVIESNRAQCTGPFYTGQRGVVPPLVTTDFISRDQGTCAPCFIRSSLYSVPNTSDLLKTVGIPFSLTISPFAVQHTEDMNIVISDMGPQGPVRCVRCKAYMNPFMNFIDGGRRFQCPLCNGLTEVAAEYFAHLDHTGRRVDAGQRPELCLGSYELLATAEYCKNNQLPLPPAIIFLLDVSQSAIRSGLVQLFCSQFVERILPNLPREKFASSDMANPIRLGFITYDHQLHFYTVPHESSSSAQQTSESADQNTYNSYGKPQMYIVADIEDVFVPTVEGFLIPPDPVVISSILEMIPTQFCTENALNRQPTDSVLGPAIQSGMEALRAANRSGKLFVIHANLPIGEAPGKLKNRDDRRLIGTEKEKTLLLPDNDFYVGLGQTCVEVGCSVDLFLFPNSFVDIASLAEVPRITSGRLFKYNCFQADLQGHQFLADLQRTLTNLQAFNAVMRVRTSTGIRPVEFFGNCYLPNTTDVELASVSSDMAITAELRHDDKLQEGELVFIQVACLYTSVSGQRRLRIHNLSIPVTSMIPDIFRLVELDAHMNWLSKYSMRSLLNRTHSQVMDDLTTRAANTLAAYRRHCACGPNDVNSNPSELVLPQNMKVFPLYIQCLMKTEAFSPADGITIDDRCWQMFLVNQMDVKQSNCYIYPHLYPIHDLSLNFEGDIPYPPAAIRCSYDRLQMDAAYLLDNGIYLIMWIGPNISSEWIQAVFNVQNPEHFESEKIYDLCNFDNEISRNLCTLLRKVRKNRWHYSRLLVVRPGDKSELWFRRFMVEDRCSSNSISYTEYLCHIHKEVSSLLH
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.3	Very low	30.7	Very low	235 Å²	235	161.8 Å²	161.8	100%	1.158	84%	0.836	S	S	*	*				0	86.2	0	-66.9	-153.3	-84.2	0	0	107
2	L	31.7	Very low	30.6	Very low	157 Å²	157	160.7 Å²	160.7	82%	0.822	83%	0.832	S	S	*	*				73.9	96	102	-88.2	166	0	0	0	113.2
3	H	33.7	Very low	30.5	Very low	171 Å²	171	167 Å²	167	79%	0.792	84%	0.839	S	S	*	*				162.1	104.4	124.8	-91.6	22.7	0	0	0	109.5
4	N	31.9	Very low	30.4	Very low	139 Å²	139	167.9 Å²	167.9	74%	0.743	84%	0.839	S	S	*	*				66.3	95.3	83	-129	14.6	0	0	0	114.2
5	Q	32.5	Very low	30.2	Very low	198 Å²	198	163.9 Å²	163.9	93%	0.925	83%	0.833	S	S	*	*			trans	-145.8	88.7	150.6	-84.1	-168.4	-1.1	0	0	108.8
6	N	32.9	Very low	30.1	Very low	149 Å²	149	166.7 Å²	166.7	80%	0.797	84%	0.838	S	S	*	*			trans	-78.1	113.8	160.6	-88	-17.4	0	0	0	107.9	Q8	N6-Q8 PolarHBondContact O-N 3.38Å
7	G	28.9	Very low	29.9	Very low	81 Å²	81	166.6 Å²	166.6	84%	0.835	84%	0.835	S	S	*	*			trans	-72.4	100.3	167.6	0	0	0	0	0	110	S9	G7-S9 PolarHBondContact O-N 3.49Å
8	Q	29.9	Very low	29.9	Very low	179 Å²	179	164.4 Å²	164.4	84%	0.836	83%	0.834	S	S	*	*			trans	-70.6	115.4	163.4	-77.2	-177.9	-20.1	0	0	108.6	N6 M10	N6-Q8 PolarHBondContact O-N 3.38Å; Q8-M10 PolarHBondContact O-N 3.37Å
9	S	31.1	Very low	30	Very low	87 Å²	87	165.9 Å²	165.9	61%	0.608	84%	0.838	S	S	*	*			trans	-64.7	108	164.6	178	0	0	0	0	108.8	G7 Y11	G7-S9 PolarHBondContact O-N 3.49Å; S9-Y11 PolarHBondContact O-N 3.22Å; S9-Y11 VanDerWaalsContact O-N 3.14Å; S9-Y11 VanDerWaalsContact OG-CD2 3.26Å; S9-Y11 WeakPolarHBondContact OG-CD2 3.33Å; S9-Y11 VanDerWaalsContact OG-CE2 3.24Å; S9-Y11 WeakPolarHBondContact OG-CE2 3.34Å
10	M	26.9	Very low	29.9	Very low	171 Å²	171	167.2 Å²	167.2	84%	0.842	84%	0.837	S	S	*	*			trans	-75.5	89.8	166.1	-76.8	-149.3	-171.9	0	0	109.2	Q8 N12	Q8-M10 PolarHBondContact O-N 3.37Å; M10-N12 PolarHBondContact O-N 3.16Å
11	Y	31.6	Very low	29.7	Very low	213 Å²	213	168.3 Å²	168.3	84%	0.835	84%	0.84	S	S	*	*			trans	-79	99.2	154.8	-79.4	-76.4	0	0	0	107.9	S9 R13	S9-Y11 PolarHBondContact O-N 3.22Å; S9-Y11 VanDerWaalsContact O-N 3.14Å; S9-Y11 VanDerWaalsContact OG-CD2 3.26Å; S9-Y11 WeakPolarHBondContact OG-CD2 3.33Å; S9-Y11 VanDerWaalsContact OG-CE2 3.24Å; S9-Y11 WeakPolarHBondContact OG-CE2 3.34Å; Y11-R13 PolarHBondContact O-N 3.07Å
12	N	29.8	Very low	29.8	Very low	148 Å²	148	166.8 Å²	166.8	79%	0.791	83%	0.827	S	S	*	*			trans	-56.6	103.6	167.5	-99.5	-24	0	0	0	109	M10 Q14	M10-N12 PolarHBondContact O-N 3.16Å; N12-Q14 PolarHBondContact O-N 2.6Å; N12-Q14 VanDerWaalsContact O-N 3.12Å
13	R	29.3	Very low	29.6	Very low	243 Å²	243	162.6 Å²	162.6	92%	0.917	82%	0.822	S	S	*	*			trans	-69.6	96	158.7	-78.7	-175.5	177.1	-173.7	-1.1	107.4	Y11 S15	Y11-R13 PolarHBondContact O-N 3.07Å; R13-S15 PolarHBondContact O-N 3.32Å
14	Q	28.7	Very low	29.3	Very low	179 Å²	179	165 Å²	165	84%	0.836	83%	0.825	S	S	*	*			trans	-70.6	120.9	153.5	-85.8	179.9	-11.4	0	0	107.6	N12 F16	N12-Q14 PolarHBondContact O-N 2.6Å; N12-Q14 VanDerWaalsContact O-N 3.12Å; Q14-F16 PolarHBondContact O-N 2.88Å
15	S	28.5	Very low	29.2	Very low	108 Å²	108	163.8 Å²	163.8	76%	0.755	83%	0.825	S	S	*	*			trans	-54.8	119.2	166.8	28.9	0	0	0	0	109.1	R13 Q17	R13-S15 PolarHBondContact O-N 3.32Å; S15-Q17 PolarHBondContact O-N 3.07Å
16	F	28.6	Very low	28.8	Very low	209 Å²	209	159.9 Å²	159.9	92%	0.917	82%	0.82	S	S	*	*			trans	-57.4	105	162.5	-95.5	-98.5	0	0	0	107.8	Q14	Q14-F16 PolarHBondContact O-N 2.88Å
17	Q	26.2	Very low	28.6	Very low	166 Å²	166	159 Å²	159	78%	0.776	82%	0.819	S	S	*	*			trans	-69.7	133.4	156.9	-73.6	-172.8	-19	0	0	107.1	S15 E19	S15-Q17 PolarHBondContact O-N 3.07Å; Q17-E19 PolarHBondContact O-N 3.07Å; Q17-E19 VanDerWaalsContact O-N 3.07Å
18	P	30	Very low	28.5	Very low	127 Å²	127	160.9 Å²	160.9	83%	0.825	82%	0.82	S	S	*	*			trans	-65.6	112.1	167.3	27	-29.1	0	0	0	107.1	K20	P18-K20 PolarHBondContact O-N 2.81Å; P18-K20 VanDerWaalsContact O-N 3.08Å
19	E	30.5	Very low	28.5	Very low	193 Å²	193	155.3 Å²	155.3	90%	0.902	81%	0.811	S	S	*	*			trans	-61.5	114.3	168.8	-82.2	-174.1	149.7	0	0	108.8	Q17	Q17-E19 PolarHBondContact O-N 3.07Å; Q17-E19 VanDerWaalsContact O-N 3.07Å
20	K	29.1	Very low	28.3	Very low	190 Å²	190	159.8 Å²	159.8	83%	0.826	82%	0.822	S	S	*	*			trans	5.8	115.2	153.8	-68.8	177.2	177	177	0	115.7	P18 F22	P18-K20 PolarHBondContact O-N 2.81Å; P18-K20 VanDerWaalsContact O-N 3.08Å; K20-F22 PolarHBondContact O-N 3.4Å
21	E	25.9	Very low	28.4	Very low	192 Å²	192	160.9 Å²	160.9	90%	0.897	83%	0.825	S	S	*	*			trans	-34	115.8	153	-68.7	171.6	138.2	0	0	111.5	G23	E21-G23 PolarHBondContact O-N 2.88Å; E21-G23 VanDerWaalsContact O-N 3.12Å
22	F	28.6	Very low	28.3	Very low	202 Å²	202	155 Å²	155	89%	0.886	82%	0.82	S	S	*	*			trans	-68	103.9	152.5	-89.1	-87.2	0	0	0	106.7	K20 Y24	K20-F22 PolarHBondContact O-N 3.4Å; F22-Y24 PolarHBondContact O-N 2.83Å
23	G	26.5	Very low	28.2	Very low	69 Å²	69	159.6 Å²	159.6	71%	0.711	83%	0.828	S	S	*	*			trans	-53.9	119.4	177.1	0	0	0	0	0	111.1	E21	E21-G23 PolarHBondContact O-N 2.88Å; E21-G23 VanDerWaalsContact O-N 3.12Å
24	Y	27.8	Very low	28.1	Very low	222 Å²	222	153.3 Å²	153.3	87%	0.871	82%	0.821	S	S	*	*			trans	-61.8	128.4	156.5	-72.7	-87.2	0	0	0	107.8	F22 S26	F22-Y24 PolarHBondContact O-N 2.83Å; Y24-S26 PolarHBondContact O-N 2.8Å
25	P	29.2	Very low	28.1	Very low	113 Å²	113	149.1 Å²	149.1	73%	0.734	82%	0.818	S	S	*	*			trans	-64.2	115.5	170.1	25.2	-30	0	0	0	108.3	V27	P25-V27 PolarHBondContact O-N 2.65Å
26	S	24.4	Very low	28.1	Very low	117 Å²	117	152.2 Å²	152.2	82%	0.818	82%	0.824	S	S	*	*			trans	-65	93.2	168.8	43.8	0	0	0	0	109.4	Y24 S28	Y24-S26 PolarHBondContact O-N 2.8Å; S26-S28 PolarHBondContact O-N 2.99Å
27	V	29.8	Very low	28.1	Very low	130 Å²	130	149.7 Å²	149.7	79%	0.788	82%	0.821	S	S	*	*			trans	-87.9	92.4	162.2	-175.6	0	0	0	0	107.5	P25 G29	P25-V27 PolarHBondContact O-N 2.65Å; V27-G29 PolarHBondContact O-N 3.18Å
28	S	25.4	Very low	28.4	Very low	120 Å²	120	147 Å²	147	84%	0.839	82%	0.82	S	S	*	*			trans	-59.4	113.4	156.6	51.7	0	0	0	0	108.8	S26	S26-S28 PolarHBondContact O-N 2.99Å
29	G	30.8	Very low	28.2	Very low	63 Å²	63	148.7 Å²	148.7	65%	0.649	82%	0.822	S	S	*	*			trans	-164.4	87.7	177.1	0	0	0	0	0	111	V27 H31	V27-G29 PolarHBondContact O-N 3.18Å; G29-H31 PolarHBondContact O-N 3.16Å
30	Q	25.8	Very low	28.3	Very low	181 Å²	181	145.1 Å²	145.1	85%	0.846	81%	0.813	S	S	*	*			trans	-47.5	129.4	155.9	-66.8	169.9	-27.3	0	0	108.1
31	H	29.7	Very low	28.2	Very low	194 Å²	194	142.4 Å²	142.4	90%	0.898	81%	0.813	S	S	*	*			trans	-160.5	130.6	142.5	-87.6	-49.2	0	0	0	111.9	G29	G29-H31 PolarHBondContact O-N 3.16Å
32	A	28.9	Very low	28.6	Very low	90 Å²	90	139.8 Å²	139.8	74%	0.744	81%	0.805	S	S	*	*			trans	-68.4	148.8	178.3	0	0	0	0	0	112.1	S34	A32-S34 PolarHBondContact O-N 3.37Å
33	Y	27.7	Very low	28.8	Very low	244 Å²	244	136.5 Å²	136.5	96%	0.957	80%	0.802	S	S	*	*			trans	-72.7	108.8	166.7	-76.6	-85.9	0	0	0	109.8
34	S	28.4	Very low	29	Very low	110 Å²	110	143.9 Å²	143.9	77%	0.769	81%	0.81	S	S	*	*			trans	-135.4	128.5	158.4	61.8	0	0	0	0	109.5	A32	A32-S34 PolarHBondContact O-N 3.37Å
35	A	28.3	Very low	29.5	Very low	92 Å²	92	139.1 Å²	139.1	76%	0.76	81%	0.806	S	S	*	*			trans	-49.7	146.9	175.8	0	0	0	0	0	113.5
36	L	29.5	Very low	29.6	Very low	172 Å²	172	143 Å²	143	90%	0.901	81%	0.814	S	S	*	*			trans	-173	142.5	134	-100.7	152.7	0	0	0	112.5
37	N	27.3	Very low	30	Very low	156 Å²	156	141 Å²	141	83%	0.834	81%	0.812	S	S	*	*			trans	-45	141.5	167.4	-79.5	-30.7	0	0	0	114
38	S	32.3	Very low	30.1	Very low	110 Å²	110	143.1 Å²	143.1	77%	0.769	81%	0.814	S	S	*	*			trans	-157.3	126.8	141.5	51.5	0	0	0	0	111.7
39	N	25.9	Very low	30.6	Very low	163 Å²	163	143.1 Å²	143.1	87%	0.872	81%	0.81	S	S	*	*			trans	-49.6	133.2	170.1	-67.2	-40.6	0	0	0	112.1
40	V	32.8	Very low	30.6	Very low	117 Å²	117	148 Å²	148	71%	0.709	82%	0.822	S	S	*	*			trans	-126.9	107.9	156.3	-179.2	0	0	0	0	107.7
41	T	27.5	Very low	31	Very low	133 Å²	133	144 Å²	144	82%	0.816	81%	0.814	S	S	*	*			trans	-68.5	111.9	163.2	39	0	0	0	0	108.8
42	D	34.4	Very low	30.9	Very low	138 Å²	138	140.6 Å²	140.6	74%	0.738	81%	0.812	S	S	*	*			trans	-108.5	123.4	166.3	-89	-31.5	0	0	0	111.5
43	T	31.7	Very low	31	Very low	133 Å²	133	145.6 Å²	145.6	82%	0.816	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-68.5	125.2	175.4	37.7	0	0	0	0	111.8
44	Y	31.4	Very low	31.2	Very low	223 Å²	223	143 Å²	143	88%	0.875	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-81.3	135	166.5	-81.4	-88.5	0	0	0	111.2
45	P	38	Very low	31.4	Very low	122 Å²	122	143.1 Å²	143.1	79%	0.792	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-86	129.6	163.1	24.6	-13.9	0	0	0	110.8
46	Q	31	Very low	31.7	Very low	194 Å²	194	144.2 Å²	144.2	91%	0.907	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74.2	137.6	169.3	-76.5	-165.7	-15.8	0	0	111.5
47	G	33.1	Very low	31.9	Very low	76 Å²	76	141 Å²	141	78%	0.784	80%	0.803	S	S	*	*			trans	-177.2	99.3	168.4	0	0	0	0	0	112.2
48	H	32.6	Very low	32.2	Very low	175 Å²	175	140.6 Å²	140.6	81%	0.81	80%	0.801	S	S	*	*			trans	-59.8	161.2	178	-86.6	-60.3	0	0	0	114.4
49	P	36.2	Very low	32.1	Very low	119 Å²	119	145.9 Å²	145.9	77%	0.773	81%	0.806	S	S	*	*				-150.7	163	61.8	37.7	-14.7	0	0	0	119.8	S51	P49-S51 PolarHBondContact O-N 3.42Å
50	N	29.9	Very low	32.4	Very low	166 Å²	166	148 Å²	148	89%	0.888	80%	0.803	S	S	*	*			trans	-13.5	113.3	164.5	-86.9	-18.7	0	0	0	116.8
51	S	34.9	Very low	32.5	Very low	98 Å²	98	147.3 Å²	147.3	69%	0.685	81%	0.81	S	S	*	*			trans	-144.4	122.9	142.9	53.6	0	0	0	0	109.3	P49 F53	P49-S51 PolarHBondContact O-N 3.42Å; S51-F53 PolarHBondContact O-N 3.33Å
52	S	27.5	Very low	32.6	Very low	122 Å²	122	144.5 Å²	144.5	85%	0.853	81%	0.807	S	S	*	*			trans	-67.6	109	174	43.5	0	0	0	0	109.9
53	F	31.6	Very low	32.7	Very low	194 Å²	194	145.8 Å²	145.8	85%	0.851	81%	0.814	S	S	*	*			trans	-123.3	121.7	162.8	-95.9	-85.3	0	0	0	110.4	S51	S51-F53 PolarHBondContact O-N 3.33Å
54	Q	30.1	Very low	32.9	Very low	190 Å²	190	148.7 Å²	148.7	89%	0.888	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-64.7	128.1	175.3	-71	168.3	-39.2	0	0	110
55	S	32.4	Very low	32.8	Very low	112 Å²	112	141.4 Å²	141.4	78%	0.783	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-62	137.1	166.4	-43.2	0	0	0	0	110.3
56	P	34.9	Very low	32.6	Very low	115 Å²	115	144 Å²	144	75%	0.747	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-69.1	142.6	168.1	29	-31.5	0	0	0	109.6	N58	P56-N58 PolarHBondContact O-N 3.19Å
57	P	34.7	Very low	32.6	Very low	104 Å²	104	141.4 Å²	141.4	68%	0.675	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-73.6	129.6	-175.5	28.6	-32.3	0	0	0	111.3	Y59	P57-Y59 PolarHBondContact O-N 3.41Å; P57-Y59 VanDerWaalsContact O-N 3.12Å
58	N	33.7	Very low	32.7	Very low	148 Å²	148	146.5 Å²	146.5	79%	0.791	81%	0.811	S	S	*	*			trans	-55.1	109	161.2	-88.8	-28	0	0	0	109.7	P56 Y60	P56-N58 PolarHBondContact O-N 3.19Å; N58-Y60 VanDerWaalsContact C-N 3.27Å; N58-Y60 HydrophobicContact CB-CD2 4.41Å; N58-Y60 PolarHBondContact O-N 2.82Å; N58-Y60 VanDerWaalsContact O-N 3.08Å
59	Y	29.5	Very low	32.7	Very low	222 Å²	222	146.3 Å²	146.3	87%	0.871	81%	0.81	S	S	*	*			trans	-78.9	81.7	161.8	-92	-88.6	0	0	0	109.3	P57	P57-Y59 PolarHBondContact O-N 3.41Å; P57-Y59 VanDerWaalsContact O-N 3.12Å
60	Y	33.3	Very low	32.9	Very low	206 Å²	206	146.6 Å²	146.6	81%	0.808	81%	0.812	S	S	*	*			trans	-96.5	106.2	152.6	-88.6	-87	0	0	0	107.3	N58 G62	N58-Y60 VanDerWaalsContact C-N 3.27Å; N58-Y60 HydrophobicContact CB-CD2 4.41Å; N58-Y60 PolarHBondContact O-N 2.82Å; N58-Y60 VanDerWaalsContact O-N 3.08Å; Y60-G62 VanDerWaalsContact C-N 3.35Å; Y60-G62 PolarHBondContact O-N 3.26Å
61	A	33.3	Very low	33	Very low	104 Å²	104	146.9 Å²	146.9	86%	0.86	81%	0.808	S	S	*	*			trans	-68.4	96.6	166.2	0	0	0	0	0	108.4
62	G	31.2	Very low	33.2	Very low	73 Å²	73	147.6 Å²	147.6	75%	0.753	81%	0.813	S	S	*	*			trans	-71.8	122.9	163.6	0	0	0	0	0	109.2	Y60	Y60-G62 VanDerWaalsContact C-N 3.35Å; Y60-G62 PolarHBondContact O-N 3.26Å
63	N	36	Very low	33.6	Very low	165 Å²	165	150.7 Å²	150.7	88%	0.882	81%	0.814	S	S	*	*			trans	-120.9	100.3	164.1	-147.6	10.3	0	0	0	107.9
64	Q	35.1	Very low	33.7	Very low	195 Å²	195	146.7 Å²	146.7	91%	0.911	81%	0.807	S	S	*	*			trans	-96.6	119.6	164.7	-82.6	-170.3	-1.8	0	0	108.7
65	G	30.3	Very low	34	Very low	69 Å²	69	143.4 Å²	143.4	71%	0.711	81%	0.805	S	S	*	*			trans	81.6	102	141.6	0	0	0	0	0	117.4
66	Q	34.2	Very low	34	Very low	178 Å²	178	148.3 Å²	148.3	83%	0.832	81%	0.808	S	S	*	*				-151.9	118.9	125.2	-106.8	179	23.3	0	0	110.5
67	T	29.1	Very low	33.9	Very low	138 Å²	138	153.8 Å²	153.8	85%	0.847	82%	0.816	S	S	*	*			trans	-66.9	120.2	171.6	43.7	0	0	0	0	110.5
68	F	36.2	Very low	33.9	Very low	183 Å²	183	154 Å²	154	80%	0.803	82%	0.82	S	S	*	*			trans	-133.2	120.9	158.5	-96.5	-87.8	0	0	0	109.4
69	Q	32.7	Very low	33.7	Very low	171 Å²	171	151.4 Å²	151.4	80%	0.799	82%	0.819	S	S	*	*			trans	-64.9	155	167.2	-70.2	-173.3	-34.8	0	0	110.5
70	P	39.8	Very low	33.9	Very low	125 Å²	125	149.8 Å²	149.8	81%	0.812	82%	0.819	S	S	*	*			trans	-131	120	136.8	27.2	-11.1	0	0	0	112.2
71	Q	33.4	Very low	33.7	Very low	173 Å²	173	145 Å²	145	81%	0.808	82%	0.816	S	S	*	*			trans	-78.6	122.9	152.3	-79.6	177.5	-37.4	0	0	108.5
72	S	39.2	Very low	33.6	Very low	112 Å²	112	148.5 Å²	148.5	78%	0.783	82%	0.817	S	S	*	*			trans	176.5	110.2	132.2	36.3	0	0	0	0	112.5
73	Q	35.5	Very low	33.6	Very low	188 Å²	188	153.2 Å²	153.2	88%	0.879	82%	0.819	S	S	*	*			trans	51.1	136.8	144	-69.1	-171.3	-13.2	0	0	123.7
74	P	33.7	Very low	33.3	Very low	110 Å²	110	150.8 Å²	150.8	71%	0.714	82%	0.815	S	S	*	*			trans	-94.8	140.2	177.8	37.7	-30.3	0	0	0	112.2
75	S	35.5	Very low	33.2	Very low	121 Å²	121	150.3 Å²	150.3	85%	0.846	82%	0.815	S	S	*	*			trans	-114.9	113.8	166.4	-61.9	0	0	0	0	109.5
76	Y	31.9	Very low	33.3	Very low	215 Å²	215	154.4 Å²	154.4	84%	0.843	82%	0.82	S	S	*	*			trans	-57.5	128.4	170.7	-80.9	-103.8	0	0	0	111.2
77	Y	34.1	Very low	33.2	Very low	230 Å²	230	154.3 Å²	154.3	90%	0.902	82%	0.82	S	S	*	*			trans	-134	137.4	143.9	-92.9	-79.8	0	0	0	109.8
78	S	34.3	Very low	33.5	Very low	108 Å²	108	153.3 Å²	153.3	76%	0.755	82%	0.816	S	S	*	*			trans	-74.8	145	-161.9	47.2	0	0	0	0	115
79	A	29.5	Very low	33.5	Very low	94 Å²	94	150.4 Å²	150.4	78%	0.777	82%	0.815	S	S	*	*			trans	-9.7	129.3	152.6	0	0	0	0	0	118
80	Q	32.8	Very low	33.6	Very low	188 Å²	188	150 Å²	150	88%	0.879	82%	0.818	S	S	*	*			trans	-153	127.7	132.3	-109.6	171.2	6.7	0	0	110.9
81	S	30.1	Very low	33.6	Very low	105 Å²	105	149.2 Å²	149.2	73%	0.734	81%	0.813	S	S	*	*			trans	-60.9	134.8	171.8	48.2	0	0	0	0	112.2
82	M	31.3	Very low	33.8	Very low	178 Å²	178	146.9 Å²	146.9	88%	0.877	81%	0.813	S	S	*	*			trans	-128.2	108.6	162.1	-84.2	-92.5	172.7	0	0	109.7
83	Q	31.2	Very low	33.7	Very low	171 Å²	171	150 Å²	150	80%	0.799	82%	0.817	S	S	*	*			trans	-71.5	154.1	165.2	-69.3	164.4	-48.3	0	0	110.3
84	S	29.5	Very low	34.1	Very low	115 Å²	115	146.2 Å²	146.2	80%	0.804	81%	0.809	S	S	*	*			trans	23.8	107	154.4	64.3	0	0	0	0	118.4
85	M	32.7	Very low	34.3	Very low	184 Å²	184	146.9 Å²	146.9	91%	0.906	81%	0.813	S	S	*	*			trans	-100.3	106.2	160.7	-89.6	-92.4	-167.1	0	0	109.8
86	N	32.1	Very low	34.3	Very low	155 Å²	155	147.9 Å²	147.9	83%	0.829	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-63.1	158.2	164.9	-106.6	-17.2	0	0	0	111.7
87	Q	31.9	Very low	34.7	Very low	176 Å²	176	142.8 Å²	142.8	82%	0.822	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-47.5	148.7	171	-65.8	179	-17.3	0	0	113.6
88	P	36.9	Very low	34.6	Very low	117 Å²	117	139.1 Å²	139.1	76%	0.76	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-74.8	133.3	166.5	30.6	-29.7	0	0	0	109.8
89	P	35.5	Very low	34.8	Very low	122 Å²	122	142.2 Å²	142.2	79%	0.792	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-76	135.9	174.4	31.2	-30.7	0	0	0	109.8
90	L	34.7	Very low	34.8	Very low	162 Å²	162	145.3 Å²	145.3	85%	0.848	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-56.1	143.8	163.8	-75.4	155.2	0	0	0	109.9
91	P	40.6	Very low	34.7	Very low	109 Å²	109	143 Å²	143	71%	0.708	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-67	144.5	175	28.4	-31.9	0	0	0	110.2	M93	P91-M93 PolarHBondContact O-N 3.07Å
92	P	37.5	Very low	34.8	Very low	125 Å²	125	147.8 Å²	147.8	81%	0.812	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.9	130	-177.8	29.2	-31.8	0	0	0	110.3
93	M	36.2	Very low	34.8	Very low	177 Å²	177	145.2 Å²	145.2	87%	0.872	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-63.1	137	163	-70.7	-156.4	-61	0	0	109.5	P91	P91-M93 PolarHBondContact O-N 3.07Å
94	P	44.2	Very low	34.7	Very low	108 Å²	108	146.4 Å²	146.4	70%	0.701	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-76.1	152.4	170.1	27.3	-22.2	0	0	0	110.4
95	P	37.6	Very low	34.8	Very low	124 Å²	124	152 Å²	152	81%	0.805	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-73.8	132.5	-179.7	31	-31.6	0	0	0	109.9	P97	P95-P97 WeakPolarHBondContact O-CD 3.14Å
96	V	36.5	Very low	35	Very low	142 Å²	142	149.4 Å²	149.4	86%	0.861	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-91.2	118.8	169.6	-176.7	0	0	0	0	108.2
97	P	40.4	Very low	35.2	Very low	108 Å²	108	151 Å²	151	70%	0.701	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-87.7	142.6	165.9	8.6	10.4	0	0	0	110.4	P95 H99	P95-P97 WeakPolarHBondContact O-CD 3.14Å; P97-H99 PolarHBondContact O-N 3.34Å
98	N	32.1	Very low	35.4	Very low	153 Å²	153	151 Å²	151	82%	0.818	81%	0.807	S	S	*	*			trans	-38.4	129.4	160.2	-96.1	-11.6	0	0	0	111.9
99	H	37.9	Very low	35.4	Very low	174 Å²	174	151.4 Å²	151.4	81%	0.806	81%	0.81	S	S	*	*				-172.5	154.2	120.5	-102.4	-66.7	0	0	0	112.9	P97	P97-H99 PolarHBondContact O-N 3.34Å
100	Q	29.7	Very low	35.3	Very low	158 Å²	158	157 Å²	157	74%	0.738	82%	0.816	S	S	*	*			trans	-62.6	160.2	-176.5	-69.9	156.3	-46.6	0	0	115
101	D	29.6	Very low	35.4	Very low	140 Å²	140	157 Å²	157	75%	0.749	82%	0.815	S	S	*	*			trans	62.4	105.9	156.8	-60	-31.3	0	0	0	118.4
102	F	32.7	Very low	35.5	Very low	206 Å²	206	156.9 Å²	156.9	90%	0.904	82%	0.815	S	S	*	*				-179.8	143.8	107	-111.6	-92.9	0	0	0	112.1
103	V	31.4	Very low	35.6	Very low	124 Å²	124	157 Å²	157	75%	0.752	82%	0.816	S	S	*	*			trans	-54.8	129.2	176.7	177.3	0	0	0	0	113
104	Q	29.8	Very low	35.9	Very low	195 Å²	195	157.1 Å²	157.1	91%	0.911	82%	0.816	S	S	*	*			trans	-169.2	132.6	140.8	-107.1	166.3	58.6	0	0	113.7
105	R	31.8	Very low	36.3	Very low	234 Å²	234	157.2 Å²	157.2	88%	0.883	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-64	146.9	-179.6	-69.1	176.3	176.5	-167.8	-3	113
106	P	36.8	Very low	36.5	Very low	128 Å²	128	157.5 Å²	157.5	83%	0.831	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-79.3	131.9	170.4	29.6	-28.4	0	0	0	111.7
107	Q	34.6	Very low	37	Very low	188 Å²	188	159.3 Å²	159.3	88%	0.879	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-73.5	135.8	177.5	-70.2	178	-5.5	0	0	111.4
108	Q	35.9	Very low	37.8	Very low	176 Å²	176	159.9 Å²	159.9	82%	0.822	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-66.5	156.3	171.4	-77	176.1	-21.3	0	0	112.7	R110	Q108-R110 PolarHBondContact O-N 2.96Å
109	P	37.5	Very low	38.4	Very low	126 Å²	126	159.1 Å²	159.1	82%	0.818	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-69.2	126.4	175.3	-2.6	18.1	0	0	0	110.5	L111	P109-L111 PolarHBondContact O-N 3.44Å
110	R	34.6	Very low	38.4	Very low	241 Å²	241	154.3 Å²	154.3	91%	0.909	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-68.2	120.8	175.1	-71.3	-176.1	174.2	-148.4	-0.8	110.9	Q108	Q108-R110 PolarHBondContact O-N 2.96Å
111	L	36.2	Very low	39	Very low	160 Å²	160	152.5 Å²	152.5	84%	0.838	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-69.6	150.5	159.2	-75	164	0	0	0	110.3	P109	P109-L111 PolarHBondContact O-N 3.44Å
112	P	42.5	Very low	39.3	Very low	108 Å²	108	155.2 Å²	155.2	70%	0.701	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-69	151.2	-177.2	28.7	-33.5	0	0	0	111.8	M114	P112-M114 PolarHBondContact O-N 2.95Å
113	P	40.1	Very low	39.4	Very low	128 Å²	128	149 Å²	149	83%	0.831	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-73.3	127.1	-175.3	29.7	-32.4	0	0	0	111.1
114	M	41.2	Very low	39.9	Very low	179 Å²	179	149.9 Å²	149.9	88%	0.882	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-69.3	145.9	165.8	-74.1	-151.6	-64.5	0	0	110.7	P112	P112-M114 PolarHBondContact O-N 2.95Å
115	P	52.9	Low	40.6	Very low	110 Å²	110	145.8 Å²	145.8	71%	0.714	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-71.7	153.2	-178.3	29.3	-33.5	0	0	0	112.2
116	P	43.3	Very low	41.4	Very low	129 Å²	129	140.2 Å²	140.2	84%	0.838	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-73.9	127.1	-177.7	30	-32.3	0	0	0	111
117	M	46	Very low	41.8	Very low	180 Å²	180	140 Å²	140	89%	0.887	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-79.9	142.7	166.3	-78	-157.3	-65.4	0	0	110.7
118	P	56.4	Low	42.2	Very low	120 Å²	120	136.3 Å²	136.3	78%	0.779	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-77.4	157.4	-174.8	32.5	-35.1	0	0	0	112.6
119	P	44.6	Very low	42.2	Very low	137 Å²	137	139.3 Å²	139.3	89%	0.89	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-90.1	136.8	-178.6	34.4	-30.7	0	0	0	113.1
120	G	38.3	Very low	42.2	Very low	73 Å²	73	144.8 Å²	144.8	75%	0.753	82%	0.822	S	S	*	*			trans	122.7	160.5	151.5	0	0	0	0	0	116.2
121	P	42.8	Very low	42.5	Very low	121 Å²	121	141.7 Å²	141.7	79%	0.786	82%	0.818	S	S	*	*			cis	-129	155.6	-5.2	35.8	-17.3	0	0	0	115.5
122	E	36.3	Very low	42.8	Very low	196 Å²	196	140.3 Å²	140.3	92%	0.916	82%	0.818	S	S	*	*			trans	23.8	126	142.6	-61.1	179.2	139.8	0	0	121.2
123	G	35	Very low	42.9	Very low	76 Å²	76	144 Å²	144	78%	0.784	83%	0.826	S	S	*	*			trans	110.3	82.8	137.9	0	0	0	0	0	117.4
124	V	40.9	Very low	43.1	Very low	143 Å²	143	143.3 Å²	143.3	87%	0.867	82%	0.821	S	S	*	*			trans	-139	125.3	153.4	-172.6	0	0	0	0	109.3
125	P	44.9	Very low	43.2	Very low	108 Å²	108	141.1 Å²	141.1	70%	0.701	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-77.5	162	-173.7	31.7	-34.6	0	0	0	113.1
126	P	48.1	Very low	42.7	Very low	117 Å²	117	138.9 Å²	138.9	76%	0.76	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-71.5	147.2	-172	28.8	-34.6	0	0	0	112.7	S128	P126-S128 PolarHBondContact O-N 2.84Å
127	P	46.1	Very low	42.7	Very low	125 Å²	125	138.8 Å²	138.8	81%	0.812	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-72.6	119.6	173.8	23.7	-19.3	0	0	0	109.3
128	S	41.8	Very low	42.4	Very low	109 Å²	109	139.7 Å²	139.7	76%	0.762	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-64.7	128.3	173.4	37.5	0	0	0	0	110.9	P126 R130	P126-S128 PolarHBondContact O-N 2.84Å; S128-R130 PolarHBondContact O-N 3.17Å; S128-R130 VanDerWaalsContact O-N 3.11Å
129	Y	36.7	Very low	41.8	Very low	239 Å²	239	140 Å²	140	94%	0.937	82%	0.818	S	S	*	*			trans	-54.8	110.2	165.2	-85.3	-98.1	0	0	0	109.6
130	R	37.6	Very low	41.3	Very low	241 Å²	241	141.2 Å²	141.2	91%	0.909	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-90.3	123.7	162.2	-88.3	-170.3	177.2	-170.1	0.5	109.3	S128	S128-R130 PolarHBondContact O-N 3.17Å; S128-R130 VanDerWaalsContact O-N 3.11Å
131	Q	41.9	Very low	41.4	Very low	177 Å²	177	143.4 Å²	143.4	83%	0.827	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-56	150.9	171.9	-74.4	-175.7	-23.4	0	0	112.5	Q133	Q131-Q133 PolarHBondContact O-N 3.44Å
132	P	42	Very low	41.2	Very low	130 Å²	130	145.5 Å²	145.5	84%	0.844	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-75.7	121.3	171.5	30.1	-28.6	0	0	0	110
133	Q	43.2	Very low	41.1	Very low	185 Å²	185	139.7 Å²	139.7	86%	0.864	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-81.7	146	167.2	-85.3	-172	-27.3	0	0	110.9	Q131	Q131-Q133 PolarHBondContact O-N 3.44Å
134	P	45.6	Very low	41.2	Very low	114 Å²	114	140.7 Å²	140.7	74%	0.74	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-76.4	154.9	-173.2	31.2	-34.8	0	0	0	113	G136	P134-G136 PolarHBondContact O-N 2.74Å
135	P	42.8	Very low	41	Very low	134 Å²	134	141.2 Å²	141.2	87%	0.87	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-77.1	119.6	-179.7	30.9	-31.1	0	0	0	110.8
136	G	42.1	Very low	40.5	Very low	63 Å²	63	140.7 Å²	140.7	65%	0.649	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-85.1	156.5	169.3	0	0	0	0	0	112.2	P134	P134-G136 PolarHBondContact O-N 2.74Å
137	P	44.3	Very low	39.9	Very low	126 Å²	126	143 Å²	143	82%	0.818	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-90.3	144.5	-155.8	32.7	-27.7	0	0	0	113.9
138	F	38.7	Very low	39.2	Very low	199 Å²	199	143.5 Å²	143.5	87%	0.873	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-63.2	131.6	168.9	-66.9	-90	0	0	0	111.4
139	P	45	Very low	38.8	Very low	126 Å²	126	145.3 Å²	145.3	82%	0.818	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-89.7	123.7	164.2	30.2	-25.3	0	0	0	111
140	L	33.7	Very low	38.5	Very low	163 Å²	163	139 Å²	139	85%	0.853	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-65.7	136.4	158.1	-92.3	84.2	0	0	0	109.8
141	S	39.3	Very low	38.4	Very low	119 Å²	119	135.9 Å²	135.9	83%	0.832	80%	0.799	S	S	*	*			trans	-153.7	122.9	139.3	69.5	0	0	0	0	111.7
142	N	38.5	Very low	38	Very low	165 Å²	165	134.8 Å²	134.8	88%	0.882	79%	0.793	S	S	*	*			trans	-62.9	155.3	167.6	-80.9	-25.7	0	0	0	112.7
143	G	35.7	Very low	37.8	Very low	74 Å²	74	134.6 Å²	134.6	76%	0.763	80%	0.795	S	S	*	*			trans	123.6	100.4	131.2	0	0	0	0	0	118.5
144	A	36.9	Very low	37.3	Very low	98 Å²	98	133.8 Å²	133.8	81%	0.81	79%	0.791	S	S	*	*			trans	68.1	123.8	132.3	0	0	0	0	0	122.6
145	N	35.6	Very low	37	Very low	153 Å²	153	136 Å²	136	82%	0.818	79%	0.791	S	S	*	*			trans	73.1	114.3	138.4	-87.4	0.4	0	0	0	122.8
146	S	34.1	Very low	36.5	Very low	97 Å²	97	135 Å²	135	68%	0.678	79%	0.785	S	S	*	*				82.6	123.4	124	63.8	0	0	0	0	122
147	Q	35.9	Very low	36.3	Very low	167 Å²	167	142.1 Å²	142.1	78%	0.78	79%	0.794	S	S	*	*			trans	79.6	119	135.4	-74.2	-177.6	-5.1	0	0	121.5
148	I	31.8	Very low	36	Very low	135 Å²	135	144.5 Å²	144.5	69%	0.692	79%	0.794	S	S	*	*				52.1	105	127.3	-53.5	168.3	0	0	0	116.2
149	N	33.1	Very low	35.7	Very low	147 Å²	147	142.9 Å²	142.9	79%	0.786	79%	0.794	S	S	*	*				-167.7	147.4	109.1	-113.7	-27.4	0	0	0	114.4
150	T	31.2	Very low	35.3	Very low	105 Å²	105	139.5 Å²	139.5	64%	0.644	78%	0.782	S	S	*	*			trans	-58.1	143.2	172.8	50.9	0	0	0	0	113.9
151	L	36.2	Very low	35.3	Very low	177 Å²	177	138 Å²	138	93%	0.927	78%	0.782	S	S	*	*			trans	-152.5	131.7	140.9	-120.7	123.8	0	0	0	112.7
152	H	31.9	Very low	35.1	Very low	154 Å²	154	138.6 Å²	138.6	71%	0.713	78%	0.781	S	S	*	*			trans	-66	146	179.6	-76.9	36.3	0	0	0	112.6
153	S	38.2	Very low	34.9	Very low	125 Å²	125	135.7 Å²	135.7	87%	0.874	77%	0.773	S	S	*	*			trans	-143.1	117.8	141.1	52.7	0	0	0	0	109.9
154	Q	33.9	Very low	34.8	Very low	169 Å²	169	143.4 Å²	143.4	79%	0.79	78%	0.779	S	S	*	*			trans	-85.3	140.4	175.2	-68	177	-7.7	0	0	109.6
155	Q	37.6	Very low	34.5	Very low	159 Å²	159	147 Å²	147	74%	0.743	78%	0.779	S	S	*	*			trans	-138.5	121.6	155.9	-87.7	-78.6	-30	0	0	107.3
156	P	33.5	Very low	34.5	Very low	113 Å²	113	144.4 Å²	144.4	73%	0.734	77%	0.771	S	S	*	*			trans	-95	122.5	178.6	33.6	-25.6	0	0	0	110
157	Y	37.3	Very low	34.4	Very low	214 Å²	214	148.5 Å²	148.5	84%	0.839	78%	0.779	S	S	*	*			trans	-122.7	138.1	163	-88.6	-83.6	0	0	0	111.3
158	Q	39.1	Very low	34.5	Very low	176 Å²	176	148.4 Å²	148.4	82%	0.822	78%	0.777	S	S	*	*			trans	-74.4	140.9	-162.4	-71.6	166.9	-25.6	0	0	113.8
159	N	32	Very low	34.6	Very low	165 Å²	165	146.5 Å²	146.5	88%	0.882	78%	0.775	S	S	*	*			trans	29.3	91.4	137.3	-66.7	-22.8	0	0	0	117.9
160	G	35.5	Very low	35.2	Very low	54 Å²	54	148.4 Å²	148.4	56%	0.557	78%	0.779	S	S	*	*			trans	-117.1	150.4	149.8	0	0	0	0	0	109.5	V162	G160-V162 PolarHBondContact O-N 3.47Å
161	P	35.1	Very low	36.2	Very low	133 Å²	133	149.2 Å²	149.2	86%	0.864	79%	0.789	S	S	*	*			trans	-67.3	111.6	-177	13.7	-6.3	0	0	0	109.2	S163	P161-S163 VanDerWaalsContact C-N 3.33Å; P161-S163 PolarHBondContact O-N 3.28Å
162	V	34.3	Very low	37.5	Very low	131 Å²	131	144.8 Å²	144.8	79%	0.794	77%	0.766	S	S	*	*			trans	-66.4	97.7	170.8	-177.4	0	0	0	0	107	G160 R164	G160-V162 PolarHBondContact O-N 3.47Å; V162-R164 PolarHBondContact O-N 3.34Å
163	S	34.4	Very low	39.3	Very low	104 Å²	104	141.4 Å²	141.4	73%	0.727	75%	0.753	S	S	*	*			trans	-53.5	105.1	157.3	46.7	0	0	0	0	107.3	P161 Q165	P161-S163 VanDerWaalsContact C-N 3.33Å; P161-S163 PolarHBondContact O-N 3.28Å; S163-Q165 VanDerWaalsContact C-N 3.35Å; S163-Q165 PolarHBondContact O-N 3.06Å
164	R	32.4	Very low	40.9	Very low	236 Å²	236	137.4 Å²	137.4	89%	0.891	73%	0.727	S	S	*	*			trans	-56.6	98	171	-75.1	-178.9	172.7	-170.6	-2.4	108	V162 P166	V162-R164 PolarHBondContact O-N 3.34Å; R164-P166 WeakPolarHBondContact O-CD 3.43Å
165	Q	30.6	Very low	42.8	Very low	174 Å²	174	133.5 Å²	133.5	81%	0.813	71%	0.711	S	S	*	*			trans	-62.3	124	157.8	-82	-172.2	-19.5	0	0	106.7	S163 Q167	S163-Q165 VanDerWaalsContact C-N 3.35Å; S163-Q165 PolarHBondContact O-N 3.06Å; Q165-Q167 PolarHBondContact O-N 3.18Å; Q165-Q167 VanDerWaalsContact O-N 3.09Å
166	P	36.3	Very low	44.9	Very low	98 Å²	98	136.3 Å²	136.3	64%	0.636	72%	0.715	S	S	*	*			trans	-65.8	115.2	175.4	25.8	-30.1	0	0	0	108	R164 F168	R164-P166 WeakPolarHBondContact O-CD 3.43Å; P166-F168 HydrophobicContact CB-CD2 3.84Å; P166-F168 HydrophobicContact CB-CE2 3.83Å; P166-F168 HydrophobicContact CG-CD2 4.04Å; P166-F168 HydrophobicContact CG-CE2 4Å; P166-F168 PolarHBondContact O-N 3.02Å
167	Q	31.6	Very low	47.5	Very low	183 Å²	183	131.6 Å²	131.6	86%	0.855	68%	0.684	S	S	*	*			trans	-64.4	84.2	165.9	-79.8	-177.2	-43.9	0	0	108.5	Q165 S169	Q165-Q167 PolarHBondContact O-N 3.18Å; Q165-Q167 VanDerWaalsContact O-N 3.09Å; Q167-S169 PolarHBondContact O-N 3.43Å; Q167-S169 VanDerWaalsContact O-N 3.12Å
168	F	37.8	Very low	50	Low	165 Å²	165	123.3 Å²	123.3	72%	0.724	66%	0.656	S	S	*	*			trans	-78.6	77.4	159.8	-81.6	-86.6	0	0	0	107.9	P166	P166-F168 HydrophobicContact CB-CD2 3.84Å; P166-F168 HydrophobicContact CB-CE2 3.83Å; P166-F168 HydrophobicContact CG-CD2 4.04Å; P166-F168 HydrophobicContact CG-CE2 4Å; P166-F168 PolarHBondContact O-N 3.02Å
169	S	35.5	Very low	52.5	Low	95 Å²	95	115.1 Å²	115.1	66%	0.664	62%	0.619	S	S	*	*			trans	-132.6	55.8	167	69.7	0	0	0	0	110	Q167	Q167-S169 PolarHBondContact O-N 3.43Å; Q167-S169 VanDerWaalsContact O-N 3.12Å
170	Q	44.6	Very low	55.5	Low	187 Å²	187	107.3 Å²	107.3	87%	0.874	58%	0.577	S	S	*	*	S	Bend	trans	-78.8	121.9	147.2	-75.5	-174.7	-11.1	0	0	105.8	I172	Q170-I172 PolarHBondContact O-N 3.22Å
171	S	52.4	Low	58.4	Low	121 Å²	121	105.6 Å²	105.6	85%	0.846	56%	0.555	S	S	*	*			trans	-61.1	104.8	178.8	52.1	0	0	0	0	109.1	N173	S171-N173 PolarHBondContact O-N 3.46Å; S171-N173 VanDerWaalsContact O-N 3.17Å
172	I	62.9	Low	61.2	Low	85 Å²	85	105 Å²	105	44%	0.436	54%	0.541	S	S	.	.			trans	-61.6	119	174.5	-62.3	171.1	0	0	0	106.7	Q170 A174 L177 T965	Q170-I172 PolarHBondContact O-N 3.22Å; I172-A174 PolarHBondContact O-N 2.85Å; I172-A174 VanDerWaalsContact O-N 3.15Å; I172-L177 HydrophobicContact CG2-CD2 3.71Å; I172-L177 HydrophobicContact CG2-CG 4.33Å; I172-T965 HydrophobicContact CB-CG2 3.87Å; I172-T965 HydrophobicContact CD1-CG2 4.11Å; I172-T965 HydrophobicContact CG1-CG2 4.5Å; I172-T965 HydrophobicContact CG2-CG2 4.26Å
173	N	69.9	Low	64.1	Low	83 Å²	83	101.3 Å²	101.3	44%	0.444	52%	0.518	S	S	.	.			trans	-66.7	114.7	176.7	-175.9	-17	0	0	0	108.9	S171 D175 R176	S171-N173 PolarHBondContact O-N 3.46Å; S171-N173 VanDerWaalsContact O-N 3.17Å; N173-D175 PolarHBondContact O-N 3.09Å; N173-D175 WeakPolarHBondContact OD1-CB 3.09Å; N173-D175 PolarHBondContact OD1-N 2.8Å; N173-D175 PolarHBondContact OD1-OD2 2.87Å; N173-R176 HydrophobicContact CB-CG 4.44Å; N173-R176 PolarHBondContact O-N 3.32Å
174	A	71.4	Confident	67	Low	40 Å²	40	96.6 Å²	96.6	33%	0.331	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-57.5	-28.8	-178.5	0	0	0	0	0	113.1	I172 R176 L177 R854	I172-A174 PolarHBondContact O-N 2.85Å; I172-A174 VanDerWaalsContact O-N 3.15Å; A174-R176 PolarHBondContact O-N 2.88Å; A174-L177 WeakPolarHBondContact O-CB 3.47Å; A174-L177 PolarHBondContact O-N 3.25Å; A174-R854 PolarHBondContact O-NH1 3.03Å
175	D	75	Confident	69.9	Low	87 Å²	87	88.7 Å²	88.7	47%	0.465	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-66.5	-21.2	177.3	-65.9	-35.5	0	0	0	113.2	N173 R859	N173-D175 PolarHBondContact O-N 3.09Å; N173-D175 WeakPolarHBondContact OD1-CB 3.09Å; N173-D175 PolarHBondContact OD1-N 2.8Å; N173-D175 PolarHBondContact OD1-OD2 2.87Å; D175-R859 IonicContact OD1-CZ 3.61Å; D175-R859 IonicContact OD1-NH1 3.56Å; D175-R859 PolarHBondContact OD1-NH1 3.37Å; D175-R859 IonicContact OD1-NH2 2.71Å; D175-R859 PolarHBondContact OD1-NH2 3.47Å
176	R	81.5	Confident	73	Confident	218 Å²	218	83.1 Å²	83.1	82%	0.823	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-92.6	-4	178.6	-64.4	-171.4	175.4	-168.2	-1.4	113.4	N173 A174	N173-R176 HydrophobicContact CB-CG 4.44Å; N173-R176 PolarHBondContact O-N 3.32Å; A174-R176 PolarHBondContact O-N 2.88Å
177	L	87.6	Confident	75.8	Confident	15 Å²	15	79.9 Å²	79.9	8%	0.079	42%	0.415	C	S	.	.	S	Bend	trans	-74.6	145.6	178.3	-63.9	179.1	0	0	0	110.4	I172 A174 S179 Y964 T965 L968	I172-L177 HydrophobicContact CG2-CD2 3.71Å; I172-L177 HydrophobicContact CG2-CG 4.33Å; A174-L177 WeakPolarHBondContact O-CB 3.47Å; A174-L177 PolarHBondContact O-N 3.25Å; L177-S179 PolarHBondContact O-N 3.19Å; L177-S179 VanDerWaalsContact O-N 3.13Å; L177-Y964 HydrophobicContact CB-CD1 4.41Å; L177-Y964 HydrophobicContact CB-CE1 3.77Å; L177-Y964 HydrophobicContact CD1-CD1 3.89Å; L177-Y964 HydrophobicContact CD1-CE1 4.02Å; L177-Y964 HydrophobicContact CG-CE1 4.49Å; L177-T965 WeakPolarHBondContact CD1-OG1 3.4Å; L177-L968 HydrophobicContact CD1-CD1 4.25Å; L177-L968 HydrophobicContact CD2-CD1 3.58Å; L177-L968 HydrophobicContact CG-CD1 4.39Å
178	P	90.2	Very high	78.8	Confident	40 Å²	40	72.8 Å²	72.8	26%	0.26	38%	0.381	S	S	.	.			trans	-51.5	122.3	175	-25.8	33.3	0	0	0	111.5	L778 K783 V784 Y964	P178-L778 HydrophobicContact CG-CD1 4.23Å; P178-K783 HydrophobicContact CB-CB 4.32Å; P178-K783 WeakPolarHBondContact CB-O 3.47Å; P178-V784 HydrophobicContact CB-CG1 4.23Å; P178-Y964 PolarHBondContact O-OH 3.23Å; P178-Y964 VanDerWaalsContact O-OH 3.12Å
179	S	92.7	Very high	81.4	Confident	4 Å²	4	69.2 Å²	69.2	3%	0.028	38%	0.381	C	S	.	.			trans	-104.3	125.2	-177.1	173.6	0	0	0	0	110.6	L177 I181 E182 V183	L177-S179 PolarHBondContact O-N 3.19Å; L177-S179 VanDerWaalsContact O-N 3.13Å; S179-I181 PolarHBondContact O-N 3.05Å; S179-I181 PolarHBondContact OG-N 2.78Å; S179-E182 PolarHBondContact O-N 3.26Å; S179-E182 PolarHBondContact OG-N 3.24Å; S179-V183 WeakPolarHBondContact O-CG2 3.22Å; S179-V183 PolarHBondContact O-N 3.45Å; S179-V183 VanDerWaalsContact O-N 3.17Å
180	P	94.2	Very high	84.2	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-57.7	-37.5	172	-26.6	36.4	0	0	0	112.5	E182 V183 I184 V784 L787 Y788 Y829	P180-E182 PolarHBondContact O-N 3.36Å; P180-V183 PolarHBondContact O-N 3.38Å; P180-I184 WeakPolarHBondContact O-CB 3.15Å; P180-I184 WeakPolarHBondContact O-CD1 3.4Å; P180-I184 WeakPolarHBondContact O-CG1 3.43Å; P180-I184 PolarHBondContact O-N 2.76Å; P180-V784 HydrophobicContact CG-CB 4.33Å; P180-V784 HydrophobicContact CG-CG1 4.03Å; P180-L787 VanDerWaalsContact CD-CD2 3.45Å; P180-L787 HydrophobicContact CG-CD2 3.3Å; P180-L787 HydrophobicContact CG-CG 4.39Å; P180-Y788 HydrophobicContact CB-CE1 4.13Å; P180-Y788 HydrophobicContact CG-CE1 3.98Å; P180-Y829 HydrophobicContact CB-CD1 4.19Å; P180-Y829 HydrophobicContact CB-CE1 4.09Å; P180-Y829 HydrophobicContact CB-CE2 4.48Å; P180-Y829 HydrophobicContact CB-CG 4.43Å; P180-Y829 HydrophobicContact CG-CD1 4.45Å; P180-Y829 HydrophobicContact CG-CD2 4.01Å; P180-Y829 HydrophobicContact CG-CE1 4.23Å; P180-Y829 HydrophobicContact CG-CE2 3.77Å; P180-Y829 HydrophobicContact CG-CG 4.34Å
181	I	95.3	Very high	86.5	Confident	18 Å²	18	64.8 Å²	64.8	9%	0.092	36%	0.355	C	S	.	.	H	α-helix	trans	-62	-45.9	179.8	-54.7	-49.2	0	0	0	110.4	S179 V183 I184 E185 Y829 A852 R854	S179-I181 PolarHBondContact O-N 3.05Å; S179-I181 PolarHBondContact OG-N 2.78Å; I181-V183 VanDerWaalsContact C-N 3.33Å; I181-V183 PolarHBondContact O-N 3.18Å; I181-I184 PolarHBondContact O-N 2.93Å; I181-E185 HydrophobicContact CG2-CG 4.34Å; I181-E185 WeakPolarHBondContact O-CG 3.1Å; I181-E185 PolarHBondContact O-N 3.19Å; I181-Y829 HydrophobicContact CD1-CE1 3.96Å; I181-A852 HydrophobicContact CD1-CB 3.83Å; I181-A852 WeakPolarHBondContact CG2-O 3.22Å; I181-R854 HydrophobicContact CG1-CG 4.26Å
182	E	94.7	Very high	88.4	Confident	122 Å²	122	63.6 Å²	63.6	57%	0.57	34%	0.342	S	S	*	.	H	α-helix	trans	-64.3	-38.7	178.3	-68	172	-175.8	0	0	112.1	S179 P180 S186	S179-E182 PolarHBondContact O-N 3.26Å; S179-E182 PolarHBondContact OG-N 3.24Å; P180-E182 PolarHBondContact O-N 3.36Å; E182-S186 WeakPolarHBondContact O-CB 3.25Å; E182-S186 PolarHBondContact O-N 3.34Å
183	V	95.5	Very high	89.6	Confident	52 Å²	52	60.4 Å²	60.4	32%	0.315	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-45	175.5	172.4	0	0	0	0	110.7	S179 P180 I181 N187 L206 V784	S179-V183 WeakPolarHBondContact O-CG2 3.22Å; S179-V183 PolarHBondContact O-N 3.45Å; S179-V183 VanDerWaalsContact O-N 3.17Å; P180-V183 PolarHBondContact O-N 3.38Å; I181-V183 VanDerWaalsContact C-N 3.33Å; I181-V183 PolarHBondContact O-N 3.18Å; V183-N187 WeakPolarHBondContact O-CB 3.49Å; V183-N187 PolarHBondContact O-N 3.11Å; V183-L206 HydrophobicContact CG1-CD1 4.01Å; V183-V784 HydrophobicContact CG2-CG1 4.15Å
184	I	95.1	Very high	90.8	Very high	6 Å²	6	60 Å²	60	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-51.9	179	-69.7	166.1	0	0	0	110.6	P180 I181 S186 N187 R188 T208	P180-I184 WeakPolarHBondContact O-CB 3.15Å; P180-I184 WeakPolarHBondContact O-CD1 3.4Å; P180-I184 WeakPolarHBondContact O-CG1 3.43Å; P180-I184 PolarHBondContact O-N 2.76Å; I181-I184 PolarHBondContact O-N 2.93Å; I184-S186 PolarHBondContact O-N 3.05Å; I184-N187 PolarHBondContact O-N 3.28Å; I184-R188 VanDerWaalsContact CG2-NH2 3.34Å; I184-R188 WeakPolarHBondContact O-CG 3.34Å; I184-R188 PolarHBondContact O-N 3.21Å; I184-T208 HydrophobicContact CD1-CG2 4.06Å; I184-T208 HydrophobicContact CG1-CG2 4.22Å
185	E	94.2	Very high	92	Very high	70 Å²	70	59.5 Å²	59.5	33%	0.327	32%	0.323	S	S	.	.	H	α-helix	trans	-65.8	-38.9	-178	-65.2	-53.3	152	0	0	112.2	I181 N187 R188 A189	I181-E185 HydrophobicContact CG2-CG 4.34Å; I181-E185 WeakPolarHBondContact O-CG 3.1Å; I181-E185 PolarHBondContact O-N 3.19Å; E185-N187 PolarHBondContact O-N 3.25Å; E185-R188 PolarHBondContact O-N 3.4Å; E185-R188 IonicContact OE1-CZ 3Å; E185-R188 IonicContact OE1-NH1 2.63Å; E185-R188 PolarHBondContact OE1-NH1 3.42Å; E185-R188 IonicContact OE2-NH1 3.4Å; E185-A189 WeakPolarHBondContact O-CB 3.45Å; E185-A189 PolarHBondContact O-N 3.38Å
186	S	94.8	Very high	93.1	Very high	57 Å²	57	60 Å²	60	40%	0.399	32%	0.319	S	S	.	.	H	α-helix	trans	-62.7	-42.3	174.3	-175.1	0	0	0	0	111.7	E182 I184 A189 Q190	E182-S186 WeakPolarHBondContact O-CB 3.25Å; E182-S186 PolarHBondContact O-N 3.34Å; I184-S186 PolarHBondContact O-N 3.05Å; S186-A189 PolarHBondContact O-N 3.46Å; S186-Q190 WeakPolarHBondContact O-CB 3.28Å; S186-Q190 VanDerWaalsContact O-CG 3.28Å; S186-Q190 WeakPolarHBondContact O-CG 3.29Å; S186-Q190 PolarHBondContact O-N 2.98Å; S186-Q190 PolarHBondContact OG-NE2 3.12Å
187	N	95.4	Very high	93.8	Very high	30 Å²	30	49.9 Å²	49.9	16%	0.16	28%	0.282	C	S	.	.	H	α-helix	trans	-65.7	-41.9	175.9	-169.2	-103	0	0	0	111.9	V183 I184 E185 A189 Q190 C191 L206 T209	V183-N187 WeakPolarHBondContact O-CB 3.49Å; V183-N187 PolarHBondContact O-N 3.11Å; I184-N187 PolarHBondContact O-N 3.28Å; E185-N187 PolarHBondContact O-N 3.25Å; N187-A189 PolarHBondContact O-N 2.84Å; N187-Q190 PolarHBondContact O-N 3.18Å; N187-C191 PolarHBondContact ND2-SG 3.08Å; N187-C191 VanDerWaalsContact ND2-SG 3.41Å; N187-C191 WeakPolarHBondContact O-CB 3.41Å; N187-C191 PolarHBondContact O-N 3.18Å; N187-L206 HydrophobicContact CB-CD1 3.66Å; N187-L206 HydrophobicContact CB-CG 4.05Å; N187-L206 PolarHBondContact OD1-N 3.47Å; N187-L206 VanDerWaalsContact OD1-N 3.09Å; N187-T209 PolarHBondContact OD1-OG1 3.07Å
188	R	93.9	Very high	94	Very high	34 Å²	34	50.6 Å²	50.6	13%	0.128	29%	0.293	C	S	.	.	H	α-helix	trans	-58.5	-47.9	174.8	-75.4	178.7	-173.8	149.1	6.8	111.9	I184 E185 Q190 T192 T208 T209	I184-R188 VanDerWaalsContact CG2-NH2 3.34Å; I184-R188 WeakPolarHBondContact O-CG 3.34Å; I184-R188 PolarHBondContact O-N 3.21Å; E185-R188 PolarHBondContact O-N 3.4Å; E185-R188 IonicContact OE1-CZ 3Å; E185-R188 IonicContact OE1-NH1 2.63Å; E185-R188 PolarHBondContact OE1-NH1 3.42Å; E185-R188 IonicContact OE2-NH1 3.4Å; R188-Q190 PolarHBondContact O-N 3.19Å; R188-T192 WeakPolarHBondContact O-CB 3.21Å; R188-T192 PolarHBondContact O-N 3.07Å; R188-T192 PolarHBondContact O-OG1 2.97Å; R188-T208 PolarHBondContact NE-O 3.32Å; R188-T208 PolarHBondContact NH2-O 3.32Å; R188-T209 HydrophobicContact CG-CG2 4.31Å
189	A	93.5	Very high	94	Very high	89 Å²	89	53.9 Å²	53.9	74%	0.736	30%	0.304	S	S	*	.	H	α-helix	trans	-60.9	-31.6	179.5	0	0	0	0	0	112.9	E185 S186 N187	E185-A189 WeakPolarHBondContact O-CB 3.45Å; E185-A189 PolarHBondContact O-N 3.38Å; S186-A189 PolarHBondContact O-N 3.46Å; N187-A189 PolarHBondContact O-N 2.84Å
190	Q	93.7	Very high	93.8	Very high	147 Å²	147	60.7 Å²	60.7	69%	0.687	33%	0.329	S	S	*	.	H	α-helix	trans	-94.1	-30.3	-175.9	-67.8	172.9	16	0	0	114.4	S186 N187 R188	S186-Q190 WeakPolarHBondContact O-CB 3.28Å; S186-Q190 VanDerWaalsContact O-CG 3.28Å; S186-Q190 WeakPolarHBondContact O-CG 3.29Å; S186-Q190 PolarHBondContact O-N 2.98Å; S186-Q190 PolarHBondContact OG-NE2 3.12Å; N187-Q190 PolarHBondContact O-N 3.18Å; R188-Q190 PolarHBondContact O-N 3.19Å
191	C	93.5	Very high	93.3	Very high	43 Å²	43	62.1 Å²	62.1	29%	0.291	34%	0.344	S	S	.	.	H	α-helix	trans	-119.7	1.3	-164.7	-58.9	0	0	0	0	114.2	N187 P205 T209	N187-C191 PolarHBondContact ND2-SG 3.08Å; N187-C191 VanDerWaalsContact ND2-SG 3.41Å; N187-C191 WeakPolarHBondContact O-CB 3.41Å; N187-C191 PolarHBondContact O-N 3.18Å; C191-P205 HydrophobicContact CB-CB 3.9Å; C191-P205 HydrophobicContact CB-CG 4.02Å; C191-T209 HydrophobicContact CB-CG2 4.26Å
192	T	91.2	Very high	93.2	Very high	95 Å²	95	63.9 Å²	63.9	58%	0.583	36%	0.356	S	S	*	.			trans	-63.7	135.7	171.8	-62.1	0	0	0	0	110.1	R188	R188-T192 WeakPolarHBondContact O-CB 3.21Å; R188-T192 PolarHBondContact O-N 3.07Å; R188-T192 PolarHBondContact O-OG1 2.97Å
193	G	89.6	Confident	93.2	Very high	19 Å²	19	59.6 Å²	59.6	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	116.3	-155.3	-179.8	0	0	0	0	0	113.7	F211 I212	G193-F211 WeakPolarHBondContact O-CA 3.4Å; G193-F211 WeakPolarHBondContact O-CB 3.47Å; G193-I212 PolarHBondContact O-N 2.72Å
194	P	94.6	Very high	93.3	Very high	75 Å²	75	57.4 Å²	57.4	49%	0.487	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	127.3	-173.9	29.5	-33.5	0	0	0	112.8	Y196 I212 R214	P194-Y196 HydrophobicContact CB-CE2 4.13Å; P194-Y196 HydrophobicContact CG-CE2 4.28Å; P194-I212 CarbonylContact C-O 3.5Å; P194-I212 WeakPolarHBondContact CA-O 3.34Å; P194-R214 HydrophobicContact CB-CG 4.32Å
195	F	96.5	Very high	93.4	Very high	29 Å²	29	57.4 Å²	57.4	13%	0.127	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.5	168.7	178.6	-104	0	0	0	110.3	T197 V202 P204 P205 F211 I212 R214 P221	F195-T197 HydrophobicContact CD1-CG2 4.18Å; F195-T197 HydrophobicContact CE1-CG2 4.14Å; F195-V202 HydrophobicContact CE2-CG1 4.22Å; F195-P204 HydrophobicContact CE1-CB 4.13Å; F195-P204 HydrophobicContact CE2-CB 4.46Å; F195-P204 HydrophobicContact CZ-CB 3.97Å; F195-P205 HydrophobicContact CB-CG 4.38Å; F195-P205 HydrophobicContact CD2-CG 4.23Å; F195-P205 HydrophobicContact CG-CG 4.42Å; F195-F211 HydrophobicContact CB-CD2 3.79Å; F195-F211 HydrophobicContact CB-CE2 4.24Å; F195-F211 HydrophobicContact CD1-CE2 4.46Å; F195-I212 PolarHBondContact N-O 2.84Å; F195-R214 PolarHBondContact O-N 2.83Å; F195-P221 HydrophobicContact CD1-CG 4.03Å; F195-P221 HydrophobicContact CE1-CG 3.76Å
196	Y	96.6	Very high	93.5	Very high	97 Å²	97	55.6 Å²	55.6	38%	0.38	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	113.5	-179.2	-62.1	-87.8	0	0	0	110.6	P194 G198 Q199 R214	P194-Y196 HydrophobicContact CB-CE2 4.13Å; P194-Y196 HydrophobicContact CG-CE2 4.28Å; Y196-G198 PolarHBondContact O-N 2.97Å; Y196-Q199 PolarHBondContact O-N 3.32Å; Y196-R214 HydrophobicContact CD1-CB 3.71Å; Y196-R214 HydrophobicContact CD1-CG 4.24Å; Y196-R214 HydrophobicContact CE1-CB 3.97Å; Y196-R214 HydrophobicContact CE1-CG 4.02Å; Y196-R214 HydrophobicContact CG-CB 4.46Å
197	T	96.1	Very high	93.5	Very high	6 Å²	6	53.7 Å²	53.7	4%	0.037	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-13.1	-170.3	64	0	0	0	0	114.2	F195 Q199 R214 D215 Q216 T218	F195-T197 HydrophobicContact CD1-CG2 4.18Å; F195-T197 HydrophobicContact CE1-CG2 4.14Å; T197-Q199 VanDerWaalsContact C-N 3.25Å; T197-Q199 PolarHBondContact O-N 3.28Å; T197-R214 PolarHBondContact N-O 3.36Å; T197-R214 VanDerWaalsContact N-O 3.1Å; T197-R214 PolarHBondContact OG1-O 3.45Å; T197-D215 WeakPolarHBondContact OG1-CA 3.42Å; T197-Q216 PolarHBondContact OG1-N 3.38Å; T197-T218 WeakPolarHBondContact CB-O 3.25Å; T197-T218 VanDerWaalsContact O-CB 3.24Å; T197-T218 WeakPolarHBondContact O-CB 3.32Å; T197-T218 PolarHBondContact OG1-O 3.12Å
198	G	92	Very high	93.5	Very high	30 Å²	30	53.2 Å²	53.2	31%	0.309	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-14.5	177.8	0	0	0	0	0	114.1	Y196	Y196-G198 PolarHBondContact O-N 2.97Å
199	Q	91.2	Very high	93.5	Very high	108 Å²	108	52.1 Å²	52.1	51%	0.505	30%	0.299	S	S	.	.			trans	-72.3	133.5	178.1	-62.6	-176.1	7.8	0	0	110.8	Y196 T197 V202	Y196-Q199 PolarHBondContact O-N 3.32Å; T197-Q199 VanDerWaalsContact C-N 3.25Å; T197-Q199 PolarHBondContact O-N 3.28Å; Q199-V202 HydrophobicContact CB-CG2 4.22Å
200	R	88	Confident	93.4	Very high	147 Å²	147	52.8 Å²	52.8	56%	0.555	29%	0.29	S	S	*	.	S	Bend	trans	-104.9	150.1	-178.6	-61.8	179.1	-177.1	167.9	0.4	110.7	V202	R200-V202 VanDerWaalsContact C-N 3.3Å
201	G	85.1	Confident	93.4	Very high	31 Å²	31	47 Å²	47	32%	0.32	26%	0.262	S	S	.	.	S	Bend	trans	68.4	31	179.4	0	0	0	0	0	113.1	L717	G201-L717 WeakPolarHBondContact O-CD2 3.38Å
202	V	92.8	Very high	93.5	Very high	55 Å²	55	46 Å²	46	33%	0.333	25%	0.254	S	S	.	.			trans	-125.3	135.3	177.4	-177.9	0	0	0	0	107.8	F195 Q199 R200	F195-V202 HydrophobicContact CE2-CG1 4.22Å; Q199-V202 HydrophobicContact CB-CG2 4.22Å; R200-V202 VanDerWaalsContact C-N 3.3Å
203	V	95	Very high	93.8	Very high	32 Å²	32	41.9 Å²	41.9	19%	0.194	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-81.4	132.8	171	-173.4	0	0	0	0	107.8	Y229 L717 E719	V203-Y229 HydrophobicContact CG1-CD2 4.23Å; V203-Y229 HydrophobicContact CG1-CE2 4.34Å; V203-Y229 HydrophobicContact CG2-CD2 4.37Å; V203-L717 VanDerWaalsContact CG2-CA 3.49Å; V203-L717 HydrophobicContact CG2-CB 4.19Å; V203-L717 HydrophobicContact CG2-CD2 3.83Å; V203-E719 HydrophobicContact CG1-CB 4.1Å; V203-E719 HydrophobicContact CG1-CG 4.2Å
204	P	96.4	Very high	94.1	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.032	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-63.3	160.7	175.5	28.3	-35.3	0	0	0	111.4	F195 P221 Y229	F195-P204 HydrophobicContact CE1-CB 4.13Å; F195-P204 HydrophobicContact CE2-CB 4.46Å; F195-P204 HydrophobicContact CZ-CB 3.97Å; P204-P221 HydrophobicContact CB-CB 3.75Å; P204-P221 HydrophobicContact CB-CG 3.4Å; P204-P221 VanDerWaalsContact CB-CG 3.4Å; P204-P221 HydrophobicContact CG-CB 4.05Å; P204-P221 HydrophobicContact CG-CG 4.12Å; P204-Y229 VanDerWaalsContact CD-CE2 3.43Å; P204-Y229 HydrophobicContact CG-CE1 4.11Å; P204-Y229 HydrophobicContact CG-CE2 4.04Å; P204-Y229 VanDerWaalsContact CG-OH 3.23Å; P204-Y229 WeakPolarHBondContact CG-OH 3.37Å
205	P	97.1	Very high	94.2	Very high	7 Å²	7	43.5 Å²	43.5	5%	0.045	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-53.9	151.6	173.5	-23.3	33.2	0	0	0	111.8	C191 F195 T209 F211 R225	C191-P205 HydrophobicContact CB-CB 3.9Å; C191-P205 HydrophobicContact CB-CG 4.02Å; F195-P205 HydrophobicContact CB-CG 4.38Å; F195-P205 HydrophobicContact CD2-CG 4.23Å; F195-P205 HydrophobicContact CG-CG 4.42Å; P205-T209 HydrophobicContact CB-CG2 4.18Å; P205-F211 HydrophobicContact CB-CB 4.48Å; P205-F211 HydrophobicContact CB-CD1 3.59Å; P205-F211 HydrophobicContact CB-CE1 3.88Å; P205-F211 HydrophobicContact CB-CG 4Å; P205-F211 HydrophobicContact CG-CB 4.21Å; P205-F211 HydrophobicContact CG-CD1 3.91Å; P205-F211 HydrophobicContact CG-CD2 4.07Å; P205-F211 HydrophobicContact CG-CE1 4.26Å; P205-F211 HydrophobicContact CG-CE2 4.41Å; P205-F211 HydrophobicContact CG-CG 3.8Å; P205-F211 HydrophobicContact CG-CZ 4.5Å; P205-R225 PolarHBondContact O-NH1 2.82Å; P205-R225 PolarHBondContact O-NH2 3.5Å
206	L	96.7	Very high	94.1	Very high	32 Å²	32	47.6 Å²	47.6	17%	0.168	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-60.6	155	179.7	-62.1	179.8	0	0	0	110.9	V183 N187 T208 T209	V183-L206 HydrophobicContact CG1-CD1 4.01Å; N187-L206 HydrophobicContact CB-CD1 3.66Å; N187-L206 HydrophobicContact CB-CG 4.05Å; N187-L206 PolarHBondContact OD1-N 3.47Å; N187-L206 VanDerWaalsContact OD1-N 3.09Å; L206-T208 PolarHBondContact O-N 3.19Å; L206-T208 VanDerWaalsContact O-N 3.08Å; L206-T209 WeakPolarHBondContact O-CB 3.31Å; L206-T209 PolarHBondContact O-N 2.97Å
207	V	95.4	Very high	94	Very high	17 Å²	17	43.1 Å²	43.1	10%	0.103	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-14.7	177.5	-69.1	0	0	0	0	114.1	R225 D721 V821 K822 N825	V207-R225 VanDerWaalsContact CG1-CZ 3.48Å; V207-D721 HydrophobicContact CG2-CB 4.4Å; V207-V821 HydrophobicContact CG1-CB 3.94Å; V207-V821 HydrophobicContact CG1-CG1 3.66Å; V207-V821 HydrophobicContact CG2-CG1 4.38Å; V207-K822 HydrophobicContact CB-CB 3.99Å; V207-K822 HydrophobicContact CB-CG 4.35Å; V207-K822 HydrophobicContact CG1-CB 4.39Å; V207-K822 HydrophobicContact CG2-CB 4.46Å; V207-N825 HydrophobicContact CG2-CB 3.93Å
208	T	94.1	Very high	94.1	Very high	20 Å²	20	43.5 Å²	43.5	12%	0.123	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-3.8	177.6	53.2	0	0	0	0	113.3	I184 R188 L206 N825	I184-T208 HydrophobicContact CD1-CG2 4.06Å; I184-T208 HydrophobicContact CG1-CG2 4.22Å; R188-T208 PolarHBondContact NE-O 3.32Å; R188-T208 PolarHBondContact NH2-O 3.32Å; L206-T208 PolarHBondContact O-N 3.19Å; L206-T208 VanDerWaalsContact O-N 3.08Å; T208-N825 WeakPolarHBondContact CG2-OD1 3.06Å
209	T	94.4	Very high	94.3	Very high	10 Å²	10	42.2 Å²	42.2	6%	0.061	21%	0.214	C	C	.	.	S	Bend	trans	-100.2	136.2	177.7	-61.4	0	0	0	0	109.9	N187 R188 C191 P205 L206 F211	N187-T209 PolarHBondContact OD1-OG1 3.07Å; R188-T209 HydrophobicContact CG-CG2 4.31Å; C191-T209 HydrophobicContact CB-CG2 4.26Å; P205-T209 HydrophobicContact CB-CG2 4.18Å; L206-T209 WeakPolarHBondContact O-CB 3.31Å; L206-T209 PolarHBondContact O-N 2.97Å; T209-F211 WeakPolarHBondContact O-CD1 3.27Å
210	D	91.2	Very high	94.6	Very high	103 Å²	103	37.3 Å²	37.3	55%	0.551	19%	0.192	S	C	*	.			trans	-86.8	121	173.9	-167.3	31.2	0	0	0	109.5	H256	D210-H256 IonicContact OD1-CD2 2.85Å; D210-H256 PolarHBondContact OD1-CD2 2.98Å; D210-H256 IonicContact OD1-NE2 3.43Å
211	F	94.3	Very high	95	Very high	25 Å²	25	30.7 Å²	30.7	11%	0.11	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	154.5	-176.3	69.9	-87.1	0	0	0	111	G193 F195 P205 T209 S213 P221	G193-F211 WeakPolarHBondContact O-CA 3.4Å; G193-F211 WeakPolarHBondContact O-CB 3.47Å; F195-F211 HydrophobicContact CB-CD2 3.79Å; F195-F211 HydrophobicContact CB-CE2 4.24Å; F195-F211 HydrophobicContact CD1-CE2 4.46Å; P205-F211 HydrophobicContact CB-CB 4.48Å; P205-F211 HydrophobicContact CB-CD1 3.59Å; P205-F211 HydrophobicContact CB-CE1 3.88Å; P205-F211 HydrophobicContact CB-CG 4Å; P205-F211 HydrophobicContact CG-CB 4.21Å; P205-F211 HydrophobicContact CG-CD1 3.91Å; P205-F211 HydrophobicContact CG-CD2 4.07Å; P205-F211 HydrophobicContact CG-CE1 4.26Å; P205-F211 HydrophobicContact CG-CE2 4.41Å; P205-F211 HydrophobicContact CG-CG 3.8Å; P205-F211 HydrophobicContact CG-CZ 4.5Å; T209-F211 WeakPolarHBondContact O-CD1 3.27Å; F211-S213 WeakPolarHBondContact CE2-OG 3.44Å; F211-P221 HydrophobicContact CE2-CG 4.21Å; F211-P221 HydrophobicContact CZ-CB 4.23Å; F211-P221 HydrophobicContact CZ-CG 4.21Å
212	I	96.2	Very high	95.5	Very high	24 Å²	24	31 Å²	31	12%	0.123	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.2	-179.5	-58.1	155.2	0	0	0	107.9	G193 P194 F195 R214 E258 D259	G193-I212 PolarHBondContact O-N 2.72Å; P194-I212 CarbonylContact C-O 3.5Å; P194-I212 WeakPolarHBondContact CA-O 3.34Å; F195-I212 PolarHBondContact N-O 2.84Å; I212-R214 VanDerWaalsContact CG2-CZ 3.49Å; I212-E258 HydrophobicContact CD1-CB 4.36Å; I212-E258 WeakPolarHBondContact CD1-OE2 3.37Å; I212-E258 HydrophobicContact CG1-CB 4.3Å; I212-E258 HydrophobicContact CG2-CB 4.17Å; I212-D259 WeakPolarHBondContact CG2-OD1 3.24Å
213	S	96.1	Very high	95.8	Very high	8 Å²	8	28.5 Å²	28.5	6%	0.056	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127.6	177.9	-64.4	0	0	0	0	111.2	F211 D259	F211-S213 WeakPolarHBondContact CE2-OG 3.44Å; S213-D259 PolarHBondContact N-OD1 3.46Å
214	R	97.1	Very high	96	Very high	89 Å²	89	27.1 Å²	27.1	34%	0.336	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	103.7	170.9	-60.3	-58.4	-177.3	-149.7	-1.2	108.9	P194 F195 Y196 T197 I212 Q216 E258	P194-R214 HydrophobicContact CB-CG 4.32Å; F195-R214 PolarHBondContact O-N 2.83Å; Y196-R214 HydrophobicContact CD1-CB 3.71Å; Y196-R214 HydrophobicContact CD1-CG 4.24Å; Y196-R214 HydrophobicContact CE1-CB 3.97Å; Y196-R214 HydrophobicContact CE1-CG 4.02Å; Y196-R214 HydrophobicContact CG-CB 4.46Å; T197-R214 PolarHBondContact N-O 3.36Å; T197-R214 VanDerWaalsContact N-O 3.1Å; T197-R214 PolarHBondContact OG1-O 3.45Å; I212-R214 VanDerWaalsContact CG2-CZ 3.49Å; R214-Q216 PolarHBondContact O-N 2.83Å; R214-E258 PolarHBondContact NH1-O 2.93Å
215	D	96.4	Very high	96.1	Very high	39 Å²	39	27.7 Å²	27.7	21%	0.209	14%	0.143	C	C	.	.			trans	-67.2	121.8	-179.6	-166.8	-34.3	0	0	0	110.6	T197 G217 L331 G332 S333	T197-D215 WeakPolarHBondContact OG1-CA 3.42Å; D215-G217 PolarHBondContact OD1-N 2.95Å; D215-L331 HydrophobicContact CB-CD2 4.24Å; D215-G332 VanDerWaalsContact CG-N 3.25Å; D215-G332 PolarHBondContact OD1-N 2.68Å; D215-G332 PolarHBondContact OD2-N 3.44Å; D215-S333 PolarHBondContact OD2-N 3.13Å
216	Q	94.8	Very high	96.1	Very high	114 Å²	114	27.3 Å²	27.3	53%	0.533	14%	0.14	S	C	.	.	S	Bend	trans	-128.8	41.7	175.9	-66.2	-172.9	-29.6	0	0	111.6	T197 R214	T197-Q216 PolarHBondContact OG1-N 3.38Å; R214-Q216 PolarHBondContact O-N 2.83Å
217	G	94.4	Very high	96.2	Very high	4 Å²	4	25.8 Å²	25.8	4%	0.041	13%	0.132	C	C	.	.	S	Bend	trans	102.2	-10.8	175.6	0	0	0	0	0	114.5	D215 F285 C330 G332	D215-G217 PolarHBondContact OD1-N 2.95Å; G217-F285 VanDerWaalsContact O-CZ 3.23Å; G217-F285 WeakPolarHBondContact O-CZ 3.23Å; G217-C330 WeakPolarHBondContact CA-O 3.19Å; G217-C330 PolarHBondContact N-O 2.96Å; G217-G332 WeakPolarHBondContact O-CA 3.48Å
218	T	96.6	Very high	96.3	Very high	13 Å²	13	25 Å²	25	8%	0.08	13%	0.127	C	C	.	.	S	Bend	trans	-114.8	138.4	171.7	-68.2	0	0	0	0	109.1	T197 N702 L703	T197-T218 WeakPolarHBondContact CB-O 3.25Å; T197-T218 VanDerWaalsContact O-CB 3.24Å; T197-T218 WeakPolarHBondContact O-CB 3.32Å; T197-T218 PolarHBondContact OG1-O 3.12Å; T218-N702 CarbonylContact C-O 3.55Å; T218-N702 WeakPolarHBondContact CA-O 3.38Å; T218-L703 HydrophobicContact CG2-CD1 3.51Å
219	C	97.6	Very high	96.5	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.027	13%	0.126	C	C	.	.			trans	-62.7	150.6	-177.3	63.3	0	0	0	0	112.2	S333 H701 N702	C219-S333 WeakPolarHBondContact CB-OG 3.43Å; C219-H701 HydrophobicContact CB-CB 3.96Å; C219-N702 PolarHBondContact N-O 3.45Å; C219-N702 PolarHBondContact SG-O 2.85Å
220	A	97.1	Very high	96.6	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.033	13%	0.125	C	C	.	.			trans	-61.1	146.2	174.7	0	0	0	0	0	112.4	C222 F223	A220-C222 PolarHBondContact O-N 2.88Å; A220-C222 VanDerWaalsContact O-N 3.1Å; A220-F223 HydrophobicContact CB-CD2 4.01Å; A220-F223 HydrophobicContact CB-CE2 4.24Å; A220-F223 PolarHBondContact O-N 3.5Å
221	P	96.9	Very high	96.8	Very high	9 Å²	9	20 Å²	20	6%	0.058	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14	178.1	-20	31.3	0	0	0	114.4	F195 P204 F211 F223 I224 R225	F195-P221 HydrophobicContact CD1-CG 4.03Å; F195-P221 HydrophobicContact CE1-CG 3.76Å; P204-P221 HydrophobicContact CB-CB 3.75Å; P204-P221 HydrophobicContact CB-CG 3.4Å; P204-P221 VanDerWaalsContact CB-CG 3.4Å; P204-P221 HydrophobicContact CG-CB 4.05Å; P204-P221 HydrophobicContact CG-CG 4.12Å; F211-P221 HydrophobicContact CE2-CG 4.21Å; F211-P221 HydrophobicContact CZ-CB 4.23Å; F211-P221 HydrophobicContact CZ-CG 4.21Å; P221-F223 PolarHBondContact O-N 2.97Å; P221-I224 WeakPolarHBondContact CA-O 3.43Å; P221-R225 HydrophobicContact CB-CG 4.31Å; P221-R225 VanDerWaalsContact O-CG 3.26Å; P221-R225 WeakPolarHBondContact O-CG 3.45Å; P221-R225 PolarHBondContact O-NE 3.01Å
222	C	96	Very high	97	Very high	36 Å²	36	18.8 Å²	18.8	24%	0.243	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-27.9	171.4	60.1	0	0	0	0	112	A220 A253	A220-C222 PolarHBondContact O-N 2.88Å; A220-C222 VanDerWaalsContact O-N 3.1Å; C222-A253 HydrophobicContact CB-CB 4.19Å; C222-A253 WeakPolarHBondContact O-CB 3.41Å
223	F	98.1	Very high	97.1	Very high	3 Å²	3	19.2 Å²	19.2	1%	0.013	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-40.9	179.6	-60	-57.7	0	0	0	113.3	A220 P221 I249 S250 A253 Q255 I262 S333 H701	A220-F223 HydrophobicContact CB-CD2 4.01Å; A220-F223 HydrophobicContact CB-CE2 4.24Å; A220-F223 PolarHBondContact O-N 3.5Å; P221-F223 PolarHBondContact O-N 2.97Å; F223-I249 CarbonylContact O-C 3.55Å; F223-I249 WeakPolarHBondContact O-CA 3.46Å; F223-S250 WeakPolarHBondContact CD1-O 3.49Å; F223-S250 PolarHBondContact O-N 3.19Å; F223-A253 HydrophobicContact CD1-CB 3.98Å; F223-A253 HydrophobicContact CE1-CB 4.25Å; F223-Q255 HydrophobicContact CE1-CG 4.28Å; F223-Q255 HydrophobicContact CE2-CG 4.29Å; F223-Q255 HydrophobicContact CZ-CG 3.61Å; F223-I262 HydrophobicContact CE2-CD1 3.93Å; F223-I262 HydrophobicContact CZ-CD1 3.82Å; F223-I262 HydrophobicContact CZ-CG1 4.18Å; F223-S333 WeakPolarHBondContact CD2-OG 3.26Å; F223-H701 AromaticContact CD1-CE1 3.6Å; F223-H701 AromaticContact CD1-NE2 3.99Å; F223-H701 AromaticContact CD2-CE1 3.78Å; F223-H701 AromaticContact CD2-ND1 3.83Å; F223-H701 AromaticContact CG-CE1 3.46Å; F223-H701 VanDerWaalsContact CG-CE1 3.46Å; F223-H701 WeakPolarHBondContact CG-CE1 3.39Å; F223-H701 AromaticContact CG-ND1 3.77Å
224	I	98.4	Very high	97.1	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.021	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	124.5	-179.5	-53.8	-179.5	0	0	0	109.2	P221 L247 T248 I249 V685 H701 L703	P221-I224 WeakPolarHBondContact CA-O 3.43Å; I224-L247 HydrophobicContact CG2-CB 4.28Å; I224-L247 HydrophobicContact CG2-CD2 4.17Å; I224-T248 WeakPolarHBondContact CA-O 3.25Å; I224-I249 HydrophobicContact CG1-CG1 4.47Å; I224-I249 HydrophobicContact CG1-CG2 4.34Å; I224-I249 HydrophobicContact CG2-CG1 4.46Å; I224-V685 HydrophobicContact CD1-CB 4.12Å; I224-V685 HydrophobicContact CD1-CG2 3.44Å; I224-V685 VanDerWaalsContact CD1-CG2 3.44Å; I224-V685 HydrophobicContact CG1-CG2 4.45Å; I224-H701 HydrophobicContact CD1-CB 3.7Å; I224-H701 HydrophobicContact CG1-CB 4.34Å; I224-L703 HydrophobicContact CG2-CD2 3.87Å
225	R	98.3	Very high	97.1	Very high	16 Å²	16	18 Å²	18	6%	0.06	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.7	165	-76	172.9	172.7	-92.9	2.3	110.1	P205 V207 P221 L247 T248 E719 A722 V821	P205-R225 PolarHBondContact O-NH1 2.82Å; P205-R225 PolarHBondContact O-NH2 3.5Å; V207-R225 VanDerWaalsContact CG1-CZ 3.48Å; P221-R225 HydrophobicContact CB-CG 4.31Å; P221-R225 VanDerWaalsContact O-CG 3.26Å; P221-R225 WeakPolarHBondContact O-CG 3.45Å; P221-R225 PolarHBondContact O-NE 3.01Å; R225-L247 CarbonylContact O-C 3.49Å; R225-L247 WeakPolarHBondContact O-CA 3.49Å; R225-T248 PolarHBondContact N-O 3.2Å; R225-T248 PolarHBondContact O-N 3.38Å; R225-E719 WeakPolarHBondContact CD-OE1 3.41Å; R225-E719 IonicContact CZ-OE1 3.02Å; R225-E719 IonicContact NE-OE1 2.65Å; R225-E719 VanDerWaalsContact NH1-CD 3.34Å; R225-E719 IonicContact NH1-OE1 3.16Å; R225-E719 PolarHBondContact NH1-OE1 3.22Å; R225-E719 IonicContact NH1-OE2 3.77Å; R225-A722 HydrophobicContact CB-CB 4.22Å; R225-V821 HydrophobicContact CB-CG2 4.1Å
226	S	98.3	Very high	97.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143	177.3	-177.4	0	0	0	0	110.4	L228 Y229 F245 S246 E719	S226-L228 WeakPolarHBondContact CB-O 3.42Å; S226-L228 PolarHBondContact O-N 3.05Å; S226-L228 PolarHBondContact OG-N 3.04Å; S226-L228 VanDerWaalsContact OG-N 3.12Å; S226-L228 PolarHBondContact OG-O 2.89Å; S226-Y229 PolarHBondContact N-OH 3.21Å; S226-Y229 VanDerWaalsContact N-OH 3.1Å; S226-Y229 WeakPolarHBondContact O-CE2 2.99Å; S226-F245 WeakPolarHBondContact OG-CE2 3.42Å; S226-S246 CarbonylContact C-O 3.6Å; S226-S246 WeakPolarHBondContact CA-O 3.41Å; S226-E719 WeakPolarHBondContact O-CB 3.41Å
227	S	98.4	Very high	97.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-63.5	-27.5	167.4	60.8	0	0	0	0	112.2	P244 S246 V718 E719	S227-P244 PolarHBondContact OG-O 3.35Å; S227-S246 WeakPolarHBondContact CB-OG 3.39Å; S227-S246 PolarHBondContact N-O 3.07Å; S227-S246 PolarHBondContact OG-N 2.92Å; S227-S246 PolarHBondContact OG-OG 3.31Å; S227-V718 WeakPolarHBondContact O-CA 3.32Å; S227-V718 WeakPolarHBondContact O-CG2 3.48Å; S227-E719 PolarHBondContact O-N 3.01Å
228	L	97.8	Very high	97.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-130.8	121.5	-176.2	-59.2	178	0	0	0	110.7	S226 S230 P232 L238 I243 F245 I714 V718	S226-L228 WeakPolarHBondContact CB-O 3.42Å; S226-L228 PolarHBondContact O-N 3.05Å; S226-L228 PolarHBondContact OG-N 3.04Å; S226-L228 VanDerWaalsContact OG-N 3.12Å; S226-L228 PolarHBondContact OG-O 2.89Å; L228-S230 VanDerWaalsContact C-N 3.32Å; L228-P232 HydrophobicContact CD1-CG 4.23Å; L228-L238 HydrophobicContact CD1-CD1 3.84Å; L228-I243 HydrophobicContact CD2-CB 4.29Å; L228-I243 HydrophobicContact CD2-CG2 3.74Å; L228-I243 HydrophobicContact CG-CG2 4.36Å; L228-F245 HydrophobicContact CB-CD2 4.26Å; L228-F245 HydrophobicContact CD1-CB 4.09Å; L228-I714 HydrophobicContact CD2-CG2 3.79Å; L228-V718 HydrophobicContact CD2-CB 4.46Å; L228-V718 HydrophobicContact CD2-CG2 4.34Å
229	Y	97.4	Very high	97.4	Very high	22 Å²	22	23.7 Å²	23.7	9%	0.086	13%	0.126	C	C	.	.	S	Bend	trans	-98.1	17.2	168.3	-65.6	-93.6	0	0	0	112.5	V203 P204 S226 I705 P706 L717 E719	V203-Y229 HydrophobicContact CG1-CD2 4.23Å; V203-Y229 HydrophobicContact CG1-CE2 4.34Å; V203-Y229 HydrophobicContact CG2-CD2 4.37Å; P204-Y229 VanDerWaalsContact CD-CE2 3.43Å; P204-Y229 HydrophobicContact CG-CE1 4.11Å; P204-Y229 HydrophobicContact CG-CE2 4.04Å; P204-Y229 VanDerWaalsContact CG-OH 3.23Å; P204-Y229 WeakPolarHBondContact CG-OH 3.37Å; S226-Y229 PolarHBondContact N-OH 3.21Å; S226-Y229 VanDerWaalsContact N-OH 3.1Å; S226-Y229 WeakPolarHBondContact O-CE2 2.99Å; Y229-I705 WeakPolarHBondContact O-CG2 3.37Å; Y229-P706 WeakPolarHBondContact O-CD 3.35Å; Y229-L717 PolarHBondContact N-O 3.42Å; Y229-E719 HydrophobicContact CD2-CB 4.39Å; Y229-E719 HydrophobicContact CE2-CB 3.87Å; Y229-E719 HydrophobicContact CE2-CG 4.5Å; Y229-E719 WeakPolarHBondContact CE2-OE2 3.05Å; Y229-E719 PolarHBondContact OH-OE2 3.19Å
230	S	96.4	Very high	97.4	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.042	14%	0.143	C	C	.	.	S	Bend	trans	-148.5	110.5	166.3	-162.9	0	0	0	0	108.3	L228 P706 T708	L228-S230 VanDerWaalsContact C-N 3.32Å; S230-P706 CarbonylContact C-O 3.01Å; S230-P706 WeakPolarHBondContact CA-O 3.25Å; S230-T708 WeakPolarHBondContact OG-CB 3.26Å; S230-T708 WeakPolarHBondContact OG-CG2 3.25Å
231	V	97.4	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.6	-171.5	-174.2	0	0	0	0	109.5	N233 F245 I637 L675 V681 I705 P706 V707 T708	V231-N233 PolarHBondContact O-N 3.07Å; V231-F245 HydrophobicContact CG1-CD1 4.02Å; V231-F245 HydrophobicContact CG1-CE1 3.94Å; V231-F245 HydrophobicContact CG2-CD1 4.48Å; V231-F245 HydrophobicContact CG2-CE1 3.84Å; V231-F245 HydrophobicContact CG2-CE2 4.15Å; V231-F245 HydrophobicContact CG2-CZ 3.65Å; V231-I637 HydrophobicContact CG1-CD1 4.33Å; V231-L675 HydrophobicContact CG1-CD1 3.81Å; V231-V681 HydrophobicContact CB-CG2 4.08Å; V231-V681 HydrophobicContact CG1-CG2 4.13Å; V231-V681 HydrophobicContact CG2-CB 4.19Å; V231-V681 HydrophobicContact CG2-CG2 3.99Å; V231-I705 HydrophobicContact CG2-CB 3.99Å; V231-I705 HydrophobicContact CG2-CG2 3.69Å; V231-P706 PolarHBondContact N-O 2.74Å; V231-V707 CarbonylContact O-C 3.51Å; V231-V707 WeakPolarHBondContact O-CA 3.47Å; V231-T708 PolarHBondContact O-N 2.91Å
232	P	97.7	Very high	97.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	136.9	174.1	-22.7	33	0	0	0	110.4	L228 T234 L237 L238 H671 T708 I714	L228-P232 HydrophobicContact CD1-CG 4.23Å; P232-T234 PolarHBondContact O-N 2.96Å; P232-L237 HydrophobicContact CB-CB 4.04Å; P232-L237 HydrophobicContact CB-CD2 3.89Å; P232-L237 HydrophobicContact CB-CG 3.92Å; P232-L238 HydrophobicContact CB-CB 4.24Å; P232-L238 HydrophobicContact CG-CB 4.19Å; P232-L238 HydrophobicContact CG-CD1 3.73Å; P232-H671 PolarHBondContact O-CE1 3.38Å; P232-H671 VanDerWaalsContact O-CE1 3.31Å; P232-H671 PolarHBondContact O-NE2 2.73Å; P232-T708 CarbonylContact C-O 3.52Å; P232-T708 WeakPolarHBondContact CA-O 3.47Å; P232-I714 HydrophobicContact CB-CD1 3.95Å; P232-I714 HydrophobicContact CG-CD1 3.67Å; P232-I714 HydrophobicContact CG-CG1 4.31Å
233	N	97.4	Very high	97.4	Very high	32 Å²	32	25.9 Å²	25.9	17%	0.171	14%	0.143	C	C	.	.	S	Bend	trans	-71.1	-14.3	-175.9	71.7	-9.4	0	0	0	114.6	V231 L675 V707 T708 S709	V231-N233 PolarHBondContact O-N 3.07Å; N233-L675 HydrophobicContact CB-CB 4.48Å; N233-L675 PolarHBondContact O-N 2.88Å; N233-V707 HydrophobicContact CB-CG1 3.55Å; N233-T708 PolarHBondContact N-O 3.23Å; N233-S709 WeakPolarHBondContact ND2-CB 3.32Å
234	T	97.6	Very high	97.3	Very high	29 Å²	29	26.6 Å²	26.6	18%	0.178	15%	0.148	C	C	.	.	S	Bend	trans	-140	154.9	-178.3	59.6	0	0	0	0	112.3	P232 D236 L237 L238 K674	P232-T234 PolarHBondContact O-N 2.96Å; T234-D236 VanDerWaalsContact C-N 3.26Å; T234-D236 PolarHBondContact O-N 3.48Å; T234-L237 PolarHBondContact O-N 3.19Å; T234-L237 WeakPolarHBondContact OG1-CB 3.4Å; T234-L237 PolarHBondContact OG1-N 3.41Å; T234-L238 PolarHBondContact O-N 3.01Å; T234-L238 VanDerWaalsContact O-N 3.14Å; T234-K674 HydrophobicContact CG2-CD 4.07Å; T234-K674 HydrophobicContact CG2-CG 4Å
235	S	97.3	Very high	97.3	Very high	44 Å²	44	26.4 Å²	26.4	31%	0.308	15%	0.147	S	C	.	.	H	α-helix	trans	-60.3	-35.4	173.9	-180	0	0	0	0	112.6	L238 K239	S235-L238 PolarHBondContact O-N 2.86Å; S235-K239 WeakPolarHBondContact O-CG 3.27Å; S235-K239 PolarHBondContact O-N 2.79Å; S235-K239 WeakPolarHBondContact OG-CE 3.49Å
236	D	97.5	Very high	97.3	Very high	107 Å²	107	25.7 Å²	25.7	57%	0.572	14%	0.144	S	C	*	.	H	α-helix	trans	-69.4	-41.2	-178.8	-64	-31.5	0	0	0	110.8	T234 L238 K239 T240	T234-D236 VanDerWaalsContact C-N 3.26Å; T234-D236 PolarHBondContact O-N 3.48Å; D236-L238 VanDerWaalsContact C-N 3.34Å; D236-L238 PolarHBondContact O-N 2.76Å; D236-K239 PolarHBondContact O-N 2.74Å; D236-K239 IonicContact OD1-NZ 3.2Å; D236-T240 PolarHBondContact O-N 2.85Å; D236-T240 PolarHBondContact O-OG1 2.99Å
237	L	96.9	Very high	97.4	Very high	20 Å²	20	25.7 Å²	25.7	11%	0.105	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-42.8	173.6	-171.6	61.8	0	0	0	111.8	P232 T234 K239 T240 V241 I711 I714	P232-L237 HydrophobicContact CB-CB 4.04Å; P232-L237 HydrophobicContact CB-CD2 3.89Å; P232-L237 HydrophobicContact CB-CG 3.92Å; T234-L237 PolarHBondContact O-N 3.19Å; T234-L237 WeakPolarHBondContact OG1-CB 3.4Å; T234-L237 PolarHBondContact OG1-N 3.41Å; L237-K239 VanDerWaalsContact C-N 3.35Å; L237-K239 PolarHBondContact O-N 2.91Å; L237-T240 PolarHBondContact O-N 3.08Å; L237-V241 WeakPolarHBondContact O-CG2 3.29Å; L237-V241 PolarHBondContact O-N 3.44Å; L237-I711 HydrophobicContact CD1-CD1 3.78Å; L237-I711 HydrophobicContact CD1-CG1 3.43Å; L237-I711 VanDerWaalsContact CD1-CG1 3.43Å; L237-I714 HydrophobicContact CD2-CD1 4Å; L237-I714 HydrophobicContact CG-CD1 4.11Å
238	L	96.9	Very high	97.4	Very high	18 Å²	18	25.9 Å²	25.9	9%	0.094	15%	0.146	C	C	.	.	H	α-helix	trans	-59.2	-44.4	174.9	-174.2	71.5	0	0	0	111.7	L228 P232 T234 S235 D236 V241 G242 I243 F245	L228-L238 HydrophobicContact CD1-CD1 3.84Å; P232-L238 HydrophobicContact CB-CB 4.24Å; P232-L238 HydrophobicContact CG-CB 4.19Å; P232-L238 HydrophobicContact CG-CD1 3.73Å; T234-L238 PolarHBondContact O-N 3.01Å; T234-L238 VanDerWaalsContact O-N 3.14Å; S235-L238 PolarHBondContact O-N 2.86Å; D236-L238 VanDerWaalsContact C-N 3.34Å; D236-L238 PolarHBondContact O-N 2.76Å; L238-V241 PolarHBondContact O-N 2.99Å; L238-G242 PolarHBondContact O-N 3.07Å; L238-G242 VanDerWaalsContact O-N 3.13Å; L238-I243 WeakPolarHBondContact CD1-O 3.3Å; L238-F245 HydrophobicContact CD1-CB 4.3Å
239	K	97	Very high	97.4	Very high	144 Å²	144	25.9 Å²	25.9	63%	0.626	15%	0.146	S	C	*	.	H	α-helix	trans	-64.9	-41.2	175.7	-70.7	169.3	-170.8	162.5	0	112.2	S235 D236 L237 V241 G242	S235-K239 WeakPolarHBondContact O-CG 3.27Å; S235-K239 PolarHBondContact O-N 2.79Å; S235-K239 WeakPolarHBondContact OG-CE 3.49Å; D236-K239 PolarHBondContact O-N 2.74Å; D236-K239 IonicContact OD1-NZ 3.2Å; L237-K239 VanDerWaalsContact C-N 3.35Å; L237-K239 PolarHBondContact O-N 2.91Å; K239-V241 VanDerWaalsContact C-N 3.32Å; K239-V241 PolarHBondContact O-N 3.35Å; K239-G242 PolarHBondContact O-N 3.46Å
240	T	96.7	Very high	97.5	Very high	65 Å²	65	25.2 Å²	25.2	40%	0.399	14%	0.144	S	C	.	.	H	α-helix	trans	-60.9	-41.6	177.4	-63.1	0	0	0	0	111.4	D236 L237 I711 A757	D236-T240 PolarHBondContact O-N 2.85Å; D236-T240 PolarHBondContact O-OG1 2.99Å; L237-T240 PolarHBondContact O-N 3.08Å; T240-I711 HydrophobicContact CG2-CD1 4.11Å; T240-A757 WeakPolarHBondContact O-CB 3.18Å
241	V	96.3	Very high	97.5	Very high	1 Å²	1	25 Å²	25	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-70.8	-32.3	178.7	172.3	0	0	0	0	112.3	L237 L238 K239 I243 I711 I714 F715	L237-V241 WeakPolarHBondContact O-CG2 3.29Å; L237-V241 PolarHBondContact O-N 3.44Å; L238-V241 PolarHBondContact O-N 2.99Å; K239-V241 VanDerWaalsContact C-N 3.32Å; K239-V241 PolarHBondContact O-N 3.35Å; V241-I243 VanDerWaalsContact C-N 3.27Å; V241-I243 HydrophobicContact CG1-CB 4.01Å; V241-I243 HydrophobicContact CG1-CD1 3.65Å; V241-I243 HydrophobicContact CG1-CG1 3.82Å; V241-I243 PolarHBondContact O-N 2.71Å; V241-I711 HydrophobicContact CG2-CG1 4.23Å; V241-I711 HydrophobicContact CG2-CG2 4.06Å; V241-I714 HydrophobicContact CG1-CG2 3.93Å; V241-I714 HydrophobicContact CG2-CD1 3.99Å; V241-I714 HydrophobicContact CG2-CG2 4.4Å; V241-F715 HydrophobicContact CG1-CE1 4.39Å; V241-F715 HydrophobicContact CG1-CE2 4.01Å; V241-F715 HydrophobicContact CG1-CZ 3.86Å; V241-F715 HydrophobicContact CG2-CE2 4.43Å
242	G	95.8	Very high	97.5	Very high	31 Å²	31	25.3 Å²	25.3	32%	0.32	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	9.3	179.2	0	0	0	0	0	114.5	L238 K239 T754	L238-G242 PolarHBondContact O-N 3.07Å; L238-G242 VanDerWaalsContact O-N 3.13Å; K239-G242 PolarHBondContact O-N 3.46Å; G242-T754 PolarHBondContact O-OG1 3.11Å; G242-T754 VanDerWaalsContact O-OG1 3.13Å
243	I	97.5	Very high	97.5	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	15%	0.149	C	C	.	.			trans	-109.6	113.4	176.6	-56.1	165.3	0	0	0	107.8	L228 L238 V241 F715 V718 T754 M782	L228-I243 HydrophobicContact CD2-CB 4.29Å; L228-I243 HydrophobicContact CD2-CG2 3.74Å; L228-I243 HydrophobicContact CG-CG2 4.36Å; L238-I243 WeakPolarHBondContact CD1-O 3.3Å; V241-I243 VanDerWaalsContact C-N 3.27Å; V241-I243 HydrophobicContact CG1-CB 4.01Å; V241-I243 HydrophobicContact CG1-CD1 3.65Å; V241-I243 HydrophobicContact CG1-CG1 3.82Å; V241-I243 PolarHBondContact O-N 2.71Å; I243-F715 HydrophobicContact CD1-CD1 4.09Å; I243-F715 HydrophobicContact CD1-CE1 3.79Å; I243-F715 HydrophobicContact CD1-CZ 4.47Å; I243-V718 HydrophobicContact CD1-CB 4.42Å; I243-V718 HydrophobicContact CD1-CG2 3.96Å; I243-V718 HydrophobicContact CG2-CG2 4.13Å; I243-T754 HydrophobicContact CD1-CG2 4Å; I243-T754 HydrophobicContact CG1-CG2 3.67Å; I243-M782 HydrophobicContact CD1-CE 4.13Å; I243-M782 HydrophobicContact CD1-SD 3.66Å; I243-M782 HydrophobicContact CG1-CE 4.39Å
244	P	97.1	Very high	97.2	Very high	18 Å²	18	29.6 Å²	29.6	12%	0.117	17%	0.172	C	C	.	.			trans	-68.9	149.5	178.2	30	-34.7	0	0	0	110.8	S227 S246 W726	S227-P244 PolarHBondContact OG-O 3.35Å; P244-S246 PolarHBondContact O-N 3.44Å; P244-W726 HydrophobicContact CB-CH2 4.34Å; P244-W726 HydrophobicContact CB-CZ2 4.15Å; P244-W726 HydrophobicContact CG-CD2 3.65Å; P244-W726 HydrophobicContact CG-CE3 3.42Å; P244-W726 VanDerWaalsContact CG-CE3 3.42Å; P244-W726 HydrophobicContact CG-CH2 3.6Å; P244-W726 HydrophobicContact CG-CZ2 3.76Å; P244-W726 HydrophobicContact CG-CZ3 3.4Å; P244-W726 VanDerWaalsContact CG-CZ3 3.4Å
245	F	98.4	Very high	97	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	108.6	171	-176.4	-158.2	0	0	0	108.9	S226 L228 V231 L238 L247 I637 L669 V681 I683 I705	S226-F245 WeakPolarHBondContact OG-CE2 3.42Å; L228-F245 HydrophobicContact CB-CD2 4.26Å; L228-F245 HydrophobicContact CD1-CB 4.09Å; V231-F245 HydrophobicContact CG1-CD1 4.02Å; V231-F245 HydrophobicContact CG1-CE1 3.94Å; V231-F245 HydrophobicContact CG2-CD1 4.48Å; V231-F245 HydrophobicContact CG2-CE1 3.84Å; V231-F245 HydrophobicContact CG2-CE2 4.15Å; V231-F245 HydrophobicContact CG2-CZ 3.65Å; L238-F245 HydrophobicContact CD1-CB 4.3Å; F245-L247 HydrophobicContact CE2-CD2 4.19Å; F245-I637 HydrophobicContact CD1-CD1 4.25Å; F245-I637 HydrophobicContact CD1-CG2 4.31Å; F245-I637 HydrophobicContact CE1-CD1 4.43Å; F245-I637 HydrophobicContact CE1-CG1 4.5Å; F245-I637 HydrophobicContact CE1-CG2 4.04Å; F245-L669 HydrophobicContact CB-CB 4.45Å; F245-L669 HydrophobicContact CD1-CB 3.66Å; F245-L669 HydrophobicContact CD1-CD2 4.23Å; F245-L669 HydrophobicContact CE1-CB 4.12Å; F245-L669 HydrophobicContact CE1-CD2 3.81Å; F245-L669 HydrophobicContact CG-CB 4.1Å; F245-L669 HydrophobicContact CZ-CD2 4.1Å; F245-L669 PolarHBondContact O-N 3.37Å; F245-V681 HydrophobicContact CE1-CG1 4.35Å; F245-V681 HydrophobicContact CZ-CG1 4.49Å; F245-I683 HydrophobicContact CZ-CD1 4.01Å; F245-I705 HydrophobicContact CE2-CD1 3.99Å; F245-I705 HydrophobicContact CZ-CD1 4.08Å
246	S	98.5	Very high	96.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.5	-178.9	62.8	0	0	0	0	111.5	S226 S227 P244 A667 W726	S226-S246 CarbonylContact C-O 3.6Å; S226-S246 WeakPolarHBondContact CA-O 3.41Å; S227-S246 WeakPolarHBondContact CB-OG 3.39Å; S227-S246 PolarHBondContact N-O 3.07Å; S227-S246 PolarHBondContact OG-N 2.92Å; S227-S246 PolarHBondContact OG-OG 3.31Å; P244-S246 PolarHBondContact O-N 3.44Å; S246-A667 CarbonylContact C-O 3.09Å; S246-A667 WeakPolarHBondContact CA-O 3.44Å; S246-A667 WeakPolarHBondContact CB-O 3.3Å; S246-W726 WeakPolarHBondContact OG-CB 3.39Å
247	L	98.7	Very high	96.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.8	175.6	-57.6	175.5	0	0	0	108.9	I224 R225 F245 I249 V631 T666 A667 L669 I683 L703	I224-L247 HydrophobicContact CG2-CB 4.28Å; I224-L247 HydrophobicContact CG2-CD2 4.17Å; R225-L247 CarbonylContact O-C 3.49Å; R225-L247 WeakPolarHBondContact O-CA 3.49Å; F245-L247 HydrophobicContact CE2-CD2 4.19Å; L247-I249 HydrophobicContact CB-CD1 4.36Å; L247-I249 HydrophobicContact CB-CG1 4.11Å; L247-V631 HydrophobicContact CD1-CG1 4.46Å; L247-T666 CarbonylContact O-C 3.48Å; L247-T666 VanDerWaalsContact O-CA 3.22Å; L247-T666 WeakPolarHBondContact O-CA 3.45Å; L247-A667 PolarHBondContact N-O 3.14Å; L247-A667 PolarHBondContact O-N 3.18Å; L247-L669 HydrophobicContact CB-CD1 4.31Å; L247-L669 HydrophobicContact CD1-CD1 3.76Å; L247-L669 HydrophobicContact CD1-CD2 3.92Å; L247-L669 HydrophobicContact CG-CD1 3.66Å; L247-L669 HydrophobicContact CG-CD2 4.36Å; L247-I683 HydrophobicContact CD1-CD1 3.75Å; L247-I683 HydrophobicContact CD1-CG1 4.2Å; L247-I683 HydrophobicContact CD1-CG2 3.7Å; L247-I683 HydrophobicContact CD2-CD1 3.95Å; L247-I683 HydrophobicContact CG-CD1 4.42Å; L247-L703 HydrophobicContact CD2-CD2 4.23Å
248	T	98.8	Very high	96.4	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118.9	166.1	-59.2	0	0	0	0	108.6	I224 R225 A664 T666 N725 V821	I224-T248 WeakPolarHBondContact CA-O 3.25Å; R225-T248 PolarHBondContact N-O 3.2Å; R225-T248 PolarHBondContact O-N 3.38Å; T248-A664 HydrophobicContact CG2-CB 4.05Å; T248-T666 PolarHBondContact OG1-OG1 3.4Å; T248-N725 WeakPolarHBondContact CG2-OD1 3.36Å; T248-N725 PolarHBondContact OG1-OD1 2.91Å; T248-V821 HydrophobicContact CG2-CG2 3.67Å
249	I	98.8	Very high	96.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.8	-168.2	-54.8	164.6	0	0	0	108.9	F223 I224 L247 P251 M629 V631 A664 I665 A667 V685	F223-I249 CarbonylContact O-C 3.55Å; F223-I249 WeakPolarHBondContact O-CA 3.46Å; I224-I249 HydrophobicContact CG1-CG1 4.47Å; I224-I249 HydrophobicContact CG1-CG2 4.34Å; I224-I249 HydrophobicContact CG2-CG1 4.46Å; L247-I249 HydrophobicContact CB-CD1 4.36Å; L247-I249 HydrophobicContact CB-CG1 4.11Å; I249-P251 WeakPolarHBondContact O-CD 3.3Å; I249-M629 HydrophobicContact CD1-CE 4.4Å; I249-M629 HydrophobicContact CG2-SD 3.84Å; I249-V631 HydrophobicContact CD1-CG2 3.64Å; I249-A664 CarbonylContact O-C 3.44Å; I249-A664 VanDerWaalsContact O-CA 3.3Å; I249-A664 WeakPolarHBondContact O-CA 3.42Å; I249-I665 WeakPolarHBondContact CB-O 3.27Å; I249-I665 PolarHBondContact N-O 3.21Å; I249-I665 PolarHBondContact O-N 3.4Å; I249-A667 HydrophobicContact CD1-CB 4.43Å; I249-V685 HydrophobicContact CD1-CG2 3.84Å; I249-V685 HydrophobicContact CG1-CG2 4.29Å; I249-V685 HydrophobicContact CG2-CG1 3.83Å; I249-V685 HydrophobicContact CG2-CG2 4.24Å
250	S	98.3	Very high	96	Very high	7 Å²	7	33.4 Å²	33.4	5%	0.049	19%	0.192	C	C	.	.			trans	-117.2	82	174.1	-70.1	0	0	0	0	109.2	F223 F252 A253 M663 A664	F223-S250 WeakPolarHBondContact CD1-O 3.49Å; F223-S250 PolarHBondContact O-N 3.19Å; S250-F252 PolarHBondContact O-N 2.92Å; S250-A253 WeakPolarHBondContact O-CB 3.46Å; S250-A253 PolarHBondContact O-N 3.05Å; S250-A253 VanDerWaalsContact O-N 3.07Å; S250-M663 WeakPolarHBondContact CA-O 3.22Å; S250-M663 WeakPolarHBondContact CB-O 3.43Å; S250-M663 PolarHBondContact OG-O 3.2Å; S250-M663 VanDerWaalsContact OG-O 3.08Å; S250-A664 WeakPolarHBondContact OG-CB 3.23Å
251	P	97.7	Very high	95.8	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.013	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.8	-164.8	22.5	-30.4	0	0	0	113.8	I249 V659 R699 H701	I249-P251 WeakPolarHBondContact O-CD 3.3Å; P251-V659 HydrophobicContact CG-CG1 4.25Å; P251-R699 WeakPolarHBondContact O-CD 3.45Å; P251-R699 PolarHBondContact O-NH1 2.85Å; P251-H701 PolarHBondContact O-NE2 3.48Å
252	F	97.1	Very high	95.8	Very high	7 Å²	7	35.2 Å²	35.2	3%	0.031	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	26.4	178.4	-64.8	-104.8	0	0	0	113.3	S250 V254 Q623 A624 V659 S661 Y689 R699	S250-F252 PolarHBondContact O-N 2.92Å; F252-V254 PolarHBondContact O-N 3.44Å; F252-Q623 HydrophobicContact CB-CB 4.04Å; F252-Q623 HydrophobicContact CB-CG 3.87Å; F252-Q623 HydrophobicContact CD1-CB 3.62Å; F252-Q623 HydrophobicContact CD1-CG 4.18Å; F252-Q623 HydrophobicContact CE1-CB 4.31Å; F252-Q623 HydrophobicContact CG-CB 3.95Å; F252-Q623 HydrophobicContact CG-CG 4.32Å; F252-A624 HydrophobicContact CE1-CB 4.33Å; F252-A624 HydrophobicContact CE2-CB 4.42Å; F252-A624 HydrophobicContact CZ-CB 4.03Å; F252-V659 HydrophobicContact CD2-CB 4.24Å; F252-V659 HydrophobicContact CD2-CG1 3.53Å; F252-V659 HydrophobicContact CE2-CB 4.42Å; F252-V659 HydrophobicContact CE2-CG1 4.08Å; F252-V659 HydrophobicContact CG-CG1 4.3Å; F252-S661 WeakPolarHBondContact O-CA 3.39Å; F252-S661 WeakPolarHBondContact O-CB 3.39Å; F252-Y689 HydrophobicContact CE1-CE1 4.21Å; F252-Y689 HydrophobicContact CE1-CE2 4.15Å; F252-Y689 AromaticContact CE1-CZ 3.91Å; F252-Y689 AromaticContact CZ-CD1 3.81Å; F252-Y689 HydrophobicContact CZ-CD1 3.81Å; F252-Y689 HydrophobicContact CZ-CD2 4.23Å; F252-Y689 AromaticContact CZ-CE1 3.69Å; F252-Y689 HydrophobicContact CZ-CE1 3.69Å; F252-Y689 HydrophobicContact CZ-CE2 4.1Å; F252-Y689 HydrophobicContact CZ-CG 4.08Å; F252-Y689 AromaticContact CZ-CZ 3.83Å; F252-R699 VanDerWaalsContact CD1-NH1 3.27Å; F252-R699 HydrophobicContact CZ-CB 4.16Å
253	A	96.3	Very high	95.7	Very high	12 Å²	12	36.2 Å²	36.2	10%	0.099	20%	0.199	C	C	.	.			trans	-45.9	138.9	176.1	0	0	0	0	0	112.5	C222 F223 S250 Q255 S661	C222-A253 HydrophobicContact CB-CB 4.19Å; C222-A253 WeakPolarHBondContact O-CB 3.41Å; F223-A253 HydrophobicContact CD1-CB 3.98Å; F223-A253 HydrophobicContact CE1-CB 4.25Å; S250-A253 WeakPolarHBondContact O-CB 3.46Å; S250-A253 PolarHBondContact O-N 3.05Å; S250-A253 VanDerWaalsContact O-N 3.07Å; A253-Q255 PolarHBondContact O-N 2.83Å; A253-S661 VanDerWaalsContact CA-O 3.28Å; A253-S661 WeakPolarHBondContact CA-O 3.28Å
254	V	93.1	Very high	95.6	Very high	109 Å²	109	39.3 Å²	39.3	66%	0.661	22%	0.215	S	C	*	.	P	Polyproline II helix	trans	-65.3	124.4	171.6	-176.8	0	0	0	0	108.1	F252	F252-V254 PolarHBondContact O-N 3.44Å
255	Q	92.6	Very high	95.6	Very high	31 Å²	31	39 Å²	39	15%	0.145	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-84.6	160.7	177.5	-63.9	177	-102.9	0	0	110.6	F223 A253 D259 M260	F223-Q255 HydrophobicContact CE1-CG 4.28Å; F223-Q255 HydrophobicContact CE2-CG 4.29Å; F223-Q255 HydrophobicContact CZ-CG 3.61Å; A253-Q255 PolarHBondContact O-N 2.83Å; Q255-D259 HydrophobicContact CB-CB 3.94Å; Q255-M260 PolarHBondContact NE2-O 3.43Å
256	H	92.9	Very high	95.3	Very high	47 Å²	47	43.8 Å²	43.8	22%	0.218	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-61.4	148	169.3	-173.8	-91.1	0	0	0	109.3	D210 E258 D259	D210-H256 IonicContact OD1-CD2 2.85Å; D210-H256 PolarHBondContact OD1-CD2 2.98Å; D210-H256 IonicContact OD1-NE2 3.43Å; H256-E258 PolarHBondContact ND1-N 3.39Å; H256-E258 VanDerWaalsContact ND1-N 3.13Å; H256-E258 PolarHBondContact O-N 3.44Å; H256-E258 VanDerWaalsContact O-N 3.13Å; H256-D259 PolarHBondContact N-OD2 3.26Å; H256-D259 VanDerWaalsContact O-CB 3.29Å; H256-D259 WeakPolarHBondContact O-CB 3.39Å; H256-D259 PolarHBondContact O-N 3.02Å
257	T	91	Very high	95.1	Very high	136 Å²	136	44.3 Å²	44.3	83%	0.834	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.7	-175.4	44.7	0	0	0	0	113.6
258	E	94.2	Very high	94.7	Very high	110 Å²	110	45.5 Å²	45.5	51%	0.514	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-2.3	175.7	-59.2	-175.3	-165.7	0	0	114	I212 R214 H256	I212-E258 HydrophobicContact CD1-CB 4.36Å; I212-E258 WeakPolarHBondContact CD1-OE2 3.37Å; I212-E258 HydrophobicContact CG1-CB 4.3Å; I212-E258 HydrophobicContact CG2-CB 4.17Å; R214-E258 PolarHBondContact NH1-O 2.93Å; H256-E258 PolarHBondContact ND1-N 3.39Å; H256-E258 VanDerWaalsContact ND1-N 3.13Å; H256-E258 PolarHBondContact O-N 3.44Å; H256-E258 VanDerWaalsContact O-N 3.13Å
259	D	93.8	Very high	94.3	Very high	16 Å²	16	51.4 Å²	51.4	9%	0.086	29%	0.292	C	S	.	.	S	Bend	trans	-68.7	152.3	173.4	-70.7	-13.6	0	0	0	110.2	I212 S213 Q255 H256 N261	I212-D259 WeakPolarHBondContact CG2-OD1 3.24Å; S213-D259 PolarHBondContact N-OD1 3.46Å; Q255-D259 HydrophobicContact CB-CB 3.94Å; H256-D259 PolarHBondContact N-OD2 3.26Å; H256-D259 VanDerWaalsContact O-CB 3.29Å; H256-D259 WeakPolarHBondContact O-CB 3.39Å; H256-D259 PolarHBondContact O-N 3.02Å; D259-N261 PolarHBondContact O-N 2.85Å
260	M	91.9	Very high	94	Very high	102 Å²	102	54.7 Å²	54.7	50%	0.502	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-65.2	129.1	170.4	-178.1	173.4	171.5	0	0	109.8	Q255 V263 L331	Q255-M260 PolarHBondContact NE2-O 3.43Å; M260-V263 HydrophobicContact CE-CG2 3.44Å; M260-V263 VanDerWaalsContact CE-CG2 3.44Å; M260-L331 HydrophobicContact CE-CD1 3.7Å; M260-L331 HydrophobicContact SD-CD1 4.29Å; M260-L331 HydrophobicContact SD-CD2 4.27Å
261	N	93	Very high	93.7	Very high	84 Å²	84	54.4 Å²	54.4	45%	0.449	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-62.1	144.9	172.9	-75.5	-47.9	0	0	0	111	D259 V263 F390	D259-N261 PolarHBondContact O-N 2.85Å; N261-V263 PolarHBondContact O-N 3.23Å; N261-F390 HydrophobicContact CB-CZ 4.3Å
262	I	95.5	Very high	93.7	Very high	21 Å²	21	54.8 Å²	54.8	11%	0.108	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-56.5	126	171.2	-61.9	-58.2	0	0	0	110.1	F223 E335	F223-I262 HydrophobicContact CE2-CD1 3.93Å; F223-I262 HydrophobicContact CZ-CD1 3.82Å; F223-I262 HydrophobicContact CZ-CG1 4.18Å; I262-E335 HydrophobicContact CG2-CB 4.19Å; I262-E335 HydrophobicContact CG2-CG 3.79Å
263	V	95.6	Very high	93.7	Very high	52 Å²	52	55.6 Å²	55.6	32%	0.315	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-94.8	135.8	179.6	-177.5	0	0	0	0	109.8	M260 N261 P327 L331 E335	M260-V263 HydrophobicContact CE-CG2 3.44Å; M260-V263 VanDerWaalsContact CE-CG2 3.44Å; N261-V263 PolarHBondContact O-N 3.23Å; V263-P327 HydrophobicContact CB-CB 4.12Å; V263-P327 HydrophobicContact CB-CG 4.38Å; V263-P327 HydrophobicContact CG1-CB 4.21Å; V263-P327 HydrophobicContact CG1-CG 3.99Å; V263-L331 HydrophobicContact CG2-CD1 4.43Å; V263-E335 PolarHBondContact O-N 2.89Å
264	I	95.3	Very high	93.8	Very high	65 Å²	65	58.1 Å²	58.1	33%	0.333	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.6	172.8	-56.3	171.4	0	0	0	108.3	E335 L337	I264-E335 CarbonylContact C-O 3.6Å; I264-E335 HydrophobicContact CB-CB 4.39Å; I264-E335 HydrophobicContact CG1-CB 3.94Å; I264-L337 HydrophobicContact CG2-CD2 3.84Å; I264-L337 HydrophobicContact CG2-CG 3.82Å
265	S	95.1	Very high	94	Very high	11 Å²	11	52.9 Å²	52.9	8%	0.077	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.4	172.5	-163	0	0	0	0	110.1	E328 E335 L336 L337	S265-E328 WeakPolarHBondContact CB-OE2 3.36Å; S265-E328 PolarHBondContact OG-OE2 3.29Å; S265-E335 PolarHBondContact N-O 2.9Å; S265-L336 WeakPolarHBondContact O-CA 3.44Å; S265-L337 PolarHBondContact O-N 2.89Å; S265-L337 VanDerWaalsContact O-N 3.13Å
266	D	93.8	Very high	94.3	Very high	103 Å²	103	55.7 Å²	55.7	55%	0.551	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-101.5	118.4	169.1	-170.5	-4.3	0	0	0	109	G268 L337	D266-G268 VanDerWaalsContact C-N 3.33Å; D266-G268 PolarHBondContact OD1-N 3.18Å; D266-L337 HydrophobicContact CB-CD1 3.92Å
267	M	93.8	Very high	94.5	Very high	10 Å²	10	61.5 Å²	61.5	5%	0.049	33%	0.328	C	S	.	.			trans	-94.8	7.9	177.9	-66.3	-179	175.3	0	0	112.4	Q270 G271 V273 M282 Y310 E328 L336	M267-Q270 PolarHBondContact O-NE2 3.12Å; M267-G271 WeakPolarHBondContact CB-O 3.39Å; M267-V273 HydrophobicContact SD-CB 4.23Å; M267-V273 HydrophobicContact SD-CG2 4.09Å; M267-V273 PolarHBondContact SD-N 3.17Å; M267-M282 HydrophobicContact CE-CB 4.3Å; M267-Y310 HydrophobicContact CE-CE2 4.31Å; M267-Y310 HydrophobicContact CG-CE2 4.39Å; M267-Y310 HydrophobicContact SD-CE2 4.39Å; M267-E328 HydrophobicContact CE-CB 3.81Å; M267-E328 VanDerWaalsContact CE-CD 3.43Å; M267-E328 HydrophobicContact CE-CG 3.35Å; M267-E328 WeakPolarHBondContact CE-OE1 3.47Å; M267-L336 HydrophobicContact CE-CD1 4.38Å; M267-L336 HydrophobicContact CE-CD2 3.55Å; M267-L336 HydrophobicContact SD-CD2 4.29Å
268	G	90.8	Very high	94.8	Very high	26 Å²	26	57 Å²	57	27%	0.268	30%	0.302	S	S	.	.			trans	80.2	-166.4	177.4	0	0	0	0	0	113.8	D266 Q270 G271	D266-G268 VanDerWaalsContact C-N 3.33Å; D266-G268 PolarHBondContact OD1-N 3.18Å; G268-Q270 PolarHBondContact O-N 2.82Å; G268-Q270 VanDerWaalsContact O-N 3.15Å; G268-G271 PolarHBondContact O-N 3.21Å
269	P	89.5	Confident	95	Very high	129 Å²	129	56.8 Å²	56.8	84%	0.838	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.7	-171	-24.8	34.5	0	0	0	115.1	G271	P269-G271 PolarHBondContact O-N 2.83Å
270	Q	91.6	Very high	95.2	Very high	68 Å²	68	56 Å²	56	32%	0.318	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.9	175.4	70.7	-116.8	23.8	0	0	113.5	M267 G268	M267-Q270 PolarHBondContact O-NE2 3.12Å; G268-Q270 PolarHBondContact O-N 2.82Å; G268-Q270 VanDerWaalsContact O-N 3.15Å
271	G	93.7	Very high	95.5	Very high	2 Å²	2	51.6 Å²	51.6	2%	0.021	27%	0.273	C	S	.	.			trans	69.9	-166.4	-173.7	0	0	0	0	0	114.2	M267 G268 P269 V273	M267-G271 WeakPolarHBondContact CB-O 3.39Å; G268-G271 PolarHBondContact O-N 3.21Å; P269-G271 PolarHBondContact O-N 2.83Å; G271-V273 PolarHBondContact O-N 3.07Å
272	P	97	Very high	95.7	Very high	10 Å²	10	47.6 Å²	47.6	7%	0.065	25%	0.251	C	S	.	.	S	Bend	trans	-57.4	124.6	-176.9	-28	35.8	0	0	0	114.2	Y281 L336 Y342 L698	P272-Y281 HydrophobicContact CB-CD1 3.84Å; P272-Y281 HydrophobicContact CB-CE1 3.96Å; P272-L336 HydrophobicContact CB-CD1 3.86Å; P272-L336 HydrophobicContact CG-CB 4.25Å; P272-L336 HydrophobicContact CG-CD1 4.29Å; P272-Y342 HydrophobicContact CG-CE2 4.25Å; P272-L698 HydrophobicContact CB-CD1 4.32Å; P272-L698 HydrophobicContact CG-CD1 3.68Å
273	V	97.3	Very high	95.8	Very high	23 Å²	23	46.7 Å²	46.7	14%	0.139	25%	0.247	C	C	.	.			trans	-69.9	131.9	173.2	-179.3	0	0	0	0	110.4	M267 G271 M282 F295 Y310	M267-V273 HydrophobicContact SD-CB 4.23Å; M267-V273 HydrophobicContact SD-CG2 4.09Å; M267-V273 PolarHBondContact SD-N 3.17Å; G271-V273 PolarHBondContact O-N 3.07Å; V273-M282 HydrophobicContact CB-CB 4.3Å; V273-M282 HydrophobicContact CB-CE 4.34Å; V273-M282 HydrophobicContact CG1-CE 3.62Å; V273-M282 PolarHBondContact O-N 3.45Å; V273-F295 HydrophobicContact CG1-CE1 4.1Å; V273-F295 HydrophobicContact CG1-CZ 4.3Å; V273-Y310 HydrophobicContact CG1-CD1 4.46Å; V273-Y310 HydrophobicContact CG2-CD1 3.99Å; V273-Y310 HydrophobicContact CG2-CD2 3.74Å; V273-Y310 HydrophobicContact CG2-CE1 4.33Å; V273-Y310 HydrophobicContact CG2-CE2 4.06Å; V273-Y310 HydrophobicContact CG2-CG 3.72Å
274	R	97.7	Very high	95.9	Very high	65 Å²	65	45.8 Å²	45.8	25%	0.245	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-138.2	152.2	-174.6	-63.3	170.8	77.8	175.4	10.7	112.3	V276 K279 A280 Y281 Y342	R274-V276 PolarHBondContact O-N 2.63Å; R274-K279 PolarHBondContact NE-O 2.94Å; R274-K279 PolarHBondContact NH2-O 2.95Å; R274-A280 CarbonylContact C-O 3.57Å; R274-A280 WeakPolarHBondContact CA-O 3.45Å; R274-A280 WeakPolarHBondContact CB-O 3.34Å; R274-Y281 HydrophobicContact CG-CD1 3.63Å; R274-Y281 HydrophobicContact CG-CE1 3.93Å; R274-Y281 HydrophobicContact CG-CG 4.35Å; R274-Y342 WeakPolarHBondContact CD-OH 3.29Å; R274-Y342 PolarHBondContact NH1-OH 3.17Å
275	C	98.4	Very high	96	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.			trans	-59.4	130.3	167	174.9	0	0	0	0	110.2	R277 C278 K279 A280 F295 C297	C275-R277 PolarHBondContact O-N 3.03Å; C275-R277 PolarHBondContact SG-N 2.98Å; C275-C278 VanDerWaalsContact SG-SG 3.68Å; C275-K279 WeakPolarHBondContact O-CA 3.4Å; C275-K279 PolarHBondContact O-N 3.26Å; C275-K279 VanDerWaalsContact O-N 3.08Å; C275-A280 HydrophobicContact CB-CB 4.48Å; C275-A280 PolarHBondContact N-O 3.32Å; C275-F295 HydrophobicContact CB-CE2 4.44Å; C275-C297 HydrophobicContact CB-CB 3.84Å; C275-C297 VanDerWaalsContact SG-CB 3.52Å
276	V	97.5	Very high	96.1	Very high	90 Å²	90	44.5 Å²	44.5	55%	0.545	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-26.8	-178.6	-69	0	0	0	0	113.3	R274 K279 T304	R274-V276 PolarHBondContact O-N 2.63Å; V276-K279 PolarHBondContact O-NZ 2.59Å; V276-T304 HydrophobicContact CG1-CG2 3.67Å; V276-T304 HydrophobicContact CG2-CG2 4.44Å; V276-T304 PolarHBondContact N-OG1 2.9Å
277	R	97.6	Very high	96.2	Very high	169 Å²	169	43.5 Å²	43.5	64%	0.638	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-70	-176.5	-171	-177.7	-63.4	172.4	-2.7	112.7	C275 C300	C275-R277 PolarHBondContact O-N 3.03Å; C275-R277 PolarHBondContact SG-N 2.98Å; R277-C300 PolarHBondContact NH1-O 3.24Å
278	C	97.6	Very high	96.4	Very high	40 Å²	40	43.8 Å²	43.8	27%	0.27	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.4	-175.1	69.4	0	0	0	0	114.3	C275 A280 C300	C275-C278 VanDerWaalsContact SG-SG 3.68Å; C278-A280 PolarHBondContact O-N 3.35Å; C278-A280 VanDerWaalsContact O-N 3.16Å; C278-A280 VanDerWaalsContact SG-CB 3.56Å; C278-C300 HydrophobicContact CB-CB 3.81Å
279	K	97.6	Very high	96.7	Very high	106 Å²	106	44.8 Å²	44.8	46%	0.461	23%	0.227	S	C	.	.			trans	60.7	21	-179.9	-51.1	-64.2	-173.3	-176	0	114.7	R274 C275 V276	R274-K279 PolarHBondContact NE-O 2.94Å; R274-K279 PolarHBondContact NH2-O 2.95Å; C275-K279 WeakPolarHBondContact O-CA 3.4Å; C275-K279 PolarHBondContact O-N 3.26Å; C275-K279 VanDerWaalsContact O-N 3.08Å; V276-K279 PolarHBondContact O-NZ 2.59Å
280	A	98.4	Very high	97	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-61.6	139.6	167.9	0	0	0	0	0	110.3	R274 C275 C278 M286 L299	R274-A280 CarbonylContact C-O 3.57Å; R274-A280 WeakPolarHBondContact CA-O 3.45Å; R274-A280 WeakPolarHBondContact CB-O 3.34Å; C275-A280 HydrophobicContact CB-CB 4.48Å; C275-A280 PolarHBondContact N-O 3.32Å; C278-A280 PolarHBondContact O-N 3.35Å; C278-A280 VanDerWaalsContact O-N 3.16Å; C278-A280 VanDerWaalsContact SG-CB 3.56Å; A280-M286 HydrophobicContact CB-CE 4.39Å; A280-L299 HydrophobicContact CB-CD2 3.94Å
281	Y	98.4	Very high	97.2	Very high	10 Å²	10	41.3 Å²	41.3	4%	0.039	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-72.7	149.4	174.9	-61.3	-81.4	0	0	0	110.2	P272 R274 N283 M286 L336 Y342 Q684 A686 L698 I700	P272-Y281 HydrophobicContact CB-CD1 3.84Å; P272-Y281 HydrophobicContact CB-CE1 3.96Å; R274-Y281 HydrophobicContact CG-CD1 3.63Å; R274-Y281 HydrophobicContact CG-CE1 3.93Å; R274-Y281 HydrophobicContact CG-CG 4.35Å; Y281-N283 PolarHBondContact O-N 2.91Å; Y281-N283 PolarHBondContact O-ND2 3.45Å; Y281-M286 VanDerWaalsContact O-CE 3.23Å; Y281-M286 WeakPolarHBondContact O-CE 3.37Å; Y281-L336 HydrophobicContact CD1-CD1 4.09Å; Y281-L336 HydrophobicContact CG-CD1 4.49Å; Y281-Y342 HydrophobicContact CE1-CE1 4.46Å; Y281-Q684 PolarHBondContact O-NE2 3.14Å; Y281-A686 HydrophobicContact CD2-CB 3.75Å; Y281-A686 HydrophobicContact CE2-CB 3.43Å; Y281-A686 VanDerWaalsContact CE2-CB 3.43Å; Y281-L698 HydrophobicContact CD1-CD1 4.29Å; Y281-L698 HydrophobicContact CE1-CD1 3.48Å; Y281-L698 VanDerWaalsContact CE1-CD1 3.48Å; Y281-L698 HydrophobicContact CE1-CD2 4.25Å; Y281-L698 HydrophobicContact CE1-CG 4.48Å; Y281-L698 HydrophobicContact CE2-CD2 4.13Å; Y281-L698 WeakPolarHBondContact OH-CD2 3.16Å; Y281-I700 HydrophobicContact CD2-CD1 3.54Å; Y281-I700 HydrophobicContact CE2-CD1 4.01Å; Y281-I700 HydrophobicContact CG-CD1 3.84Å
282	M	98.2	Very high	97.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-46.7	134.4	169.3	-174.5	57.5	57.7	0	0	110	M267 V273 M286 F288 F295 Y310 E328 L329 Y334	M267-M282 HydrophobicContact CE-CB 4.3Å; V273-M282 HydrophobicContact CB-CB 4.3Å; V273-M282 HydrophobicContact CB-CE 4.34Å; V273-M282 HydrophobicContact CG1-CE 3.62Å; V273-M282 PolarHBondContact O-N 3.45Å; M282-M286 HydrophobicContact CE-CG 4.41Å; M282-M286 HydrophobicContact SD-CB 3.77Å; M282-M286 HydrophobicContact SD-CG 3.58Å; M282-M286 VanDerWaalsContact SD-CG 3.58Å; M282-F288 HydrophobicContact CE-CE1 4.46Å; M282-F288 HydrophobicContact CE-CZ 3.84Å; M282-F288 HydrophobicContact SD-CE2 4.08Å; M282-F288 HydrophobicContact SD-CZ 3.71Å; M282-F295 HydrophobicContact CE-CD1 3.95Å; M282-F295 HydrophobicContact CE-CD2 4.32Å; M282-F295 HydrophobicContact CE-CE1 3.79Å; M282-F295 HydrophobicContact CE-CE2 4.19Å; M282-F295 HydrophobicContact CE-CG 4.2Å; M282-F295 HydrophobicContact CE-CZ 3.91Å; M282-Y310 HydrophobicContact CE-CE1 4Å; M282-Y310 HydrophobicContact CG-CE1 4.39Å; M282-Y310 WeakPolarHBondContact CG-OH 3.4Å; M282-E328 HydrophobicContact CG-CG 4.03Å; M282-L329 HydrophobicContact CG-CD2 3.7Å; M282-L329 HydrophobicContact SD-CD2 3.64Å; M282-Y334 PolarHBondContact O-OH 2.85Å
283	N	97.5	Very high	97.4	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.239	C	C	.	.			trans	-152.6	168.7	-176.5	67.1	52.4	0	0	0	110.5	Y281 F285 M286 E328 Y334 Q684 N702	Y281-N283 PolarHBondContact O-N 2.91Å; Y281-N283 PolarHBondContact O-ND2 3.45Å; N283-F285 PolarHBondContact O-N 2.96Å; N283-F285 WeakPolarHBondContact OD1-CA 3.32Å; N283-F285 VanDerWaalsContact OD1-CB 3.31Å; N283-F285 WeakPolarHBondContact OD1-CB 3.32Å; N283-F285 PolarHBondContact OD1-N 3.05Å; N283-M286 WeakPolarHBondContact O-CB 3.3Å; N283-M286 WeakPolarHBondContact O-CG 3.32Å; N283-M286 PolarHBondContact O-N 2.96Å; N283-M286 VanDerWaalsContact O-N 3.16Å; N283-M286 PolarHBondContact OD1-N 2.89Å; N283-E328 CarbonylContact C-O 3.57Å; N283-E328 WeakPolarHBondContact CA-O 3.45Å; N283-Y334 WeakPolarHBondContact CA-OH 3.47Å; N283-Y334 WeakPolarHBondContact CB-OH 3.5Å; N283-Q684 PolarHBondContact ND2-NE2 3.08Å; N283-Q684 VanDerWaalsContact ND2-NE2 3.18Å; N283-N702 WeakPolarHBondContact CB-OD1 3.48Å
284	P	97	Very high	97.4	Very high	33 Å²	33	52.9 Å²	52.9	21%	0.214	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-14.9	-176.9	-25.5	35	0	0	0	115.6	E328 L329 L331	P284-E328 WeakPolarHBondContact CD-O 3.19Å; P284-L329 WeakPolarHBondContact CA-O 3.48Å; P284-L331 WeakPolarHBondContact CD-O 3.48Å; P284-L331 WeakPolarHBondContact CG-O 3.26Å
285	F	96.5	Very high	97.4	Very high	38 Å²	38	49.8 Å²	49.8	17%	0.167	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-1.6	-177	-48.6	-50.3	0	0	0	113.1	G217 N283 N287 P298 F682 N702	G217-F285 VanDerWaalsContact O-CZ 3.23Å; G217-F285 WeakPolarHBondContact O-CZ 3.23Å; N283-F285 PolarHBondContact O-N 2.96Å; N283-F285 WeakPolarHBondContact OD1-CA 3.32Å; N283-F285 VanDerWaalsContact OD1-CB 3.31Å; N283-F285 WeakPolarHBondContact OD1-CB 3.32Å; N283-F285 PolarHBondContact OD1-N 3.05Å; F285-N287 PolarHBondContact O-N 2.96Å; F285-P298 HydrophobicContact CB-CB 4.25Å; F285-P298 HydrophobicContact CB-CG 3.7Å; F285-P298 WeakPolarHBondContact O-CG 3.11Å; F285-F682 HydrophobicContact CB-CD1 3.96Å; F285-F682 HydrophobicContact CB-CE1 3.67Å; F285-F682 HydrophobicContact CB-CZ 4.47Å; F285-F682 HydrophobicContact CD1-CD1 4.43Å; F285-F682 AromaticContact CD1-CE1 3.98Å; F285-F682 HydrophobicContact CD1-CE1 3.98Å; F285-F682 AromaticContact CD2-CD1 3.5Å; F285-F682 HydrophobicContact CD2-CD1 3.5Å; F285-F682 AromaticContact CD2-CE1 3.88Å; F285-F682 HydrophobicContact CD2-CE1 3.88Å; F285-F682 HydrophobicContact CE2-CD1 4.05Å; F285-F682 HydrophobicContact CE2-CE1 4.5Å; F285-F682 AromaticContact CG-CD1 3.71Å; F285-F682 HydrophobicContact CG-CD1 3.71Å; F285-F682 AromaticContact CG-CE1 3.57Å; F285-F682 HydrophobicContact CG-CE1 3.57Å; F285-N702 HydrophobicContact CD2-CB 4.41Å; F285-N702 HydrophobicContact CE2-CB 3.82Å
286	M	97.5	Very high	97.4	Very high	12 Å²	12	53 Å²	53	6%	0.059	26%	0.255	C	S	.	.			trans	-67.6	123.3	176.8	-65.6	-71	-172.6	0	0	110.6	A280 Y281 M282 N283 F288 F295 C297 P298	A280-M286 HydrophobicContact CB-CE 4.39Å; Y281-M286 VanDerWaalsContact O-CE 3.23Å; Y281-M286 WeakPolarHBondContact O-CE 3.37Å; M282-M286 HydrophobicContact CE-CG 4.41Å; M282-M286 HydrophobicContact SD-CB 3.77Å; M282-M286 HydrophobicContact SD-CG 3.58Å; M282-M286 VanDerWaalsContact SD-CG 3.58Å; N283-M286 WeakPolarHBondContact O-CB 3.3Å; N283-M286 WeakPolarHBondContact O-CG 3.32Å; N283-M286 PolarHBondContact O-N 2.96Å; N283-M286 VanDerWaalsContact O-N 3.16Å; N283-M286 PolarHBondContact OD1-N 2.89Å; M286-F288 HydrophobicContact CB-CE2 4.22Å; M286-F295 HydrophobicContact CB-CD2 4.35Å; M286-F295 HydrophobicContact CE-CE2 4.21Å; M286-F295 HydrophobicContact CG-CD2 4.32Å; M286-F295 HydrophobicContact SD-CD2 3.61Å; M286-F295 HydrophobicContact SD-CE2 3.73Å; M286-C297 HydrophobicContact SD-CB 4.1Å; M286-P298 WeakPolarHBondContact SD-CD 3.24Å
287	N	96.9	Very high	97.5	Very high	82 Å²	82	48.7 Å²	48.7	44%	0.439	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	107.8	-178.7	-177.9	30.5	0	0	0	110.4	F285 F295 Q296	F285-N287 PolarHBondContact O-N 2.96Å; N287-F295 CarbonylContact O-C 3.46Å; N287-F295 VanDerWaalsContact O-CA 3.27Å; N287-F295 WeakPolarHBondContact O-CA 3.36Å; N287-Q296 HydrophobicContact CB-CB 4.33Å; N287-Q296 PolarHBondContact N-O 3.35Å; N287-Q296 VanDerWaalsContact N-O 3.14Å; N287-Q296 PolarHBondContact O-N 3.25Å
288	F	97.8	Very high	97.4	Very high	16 Å²	16	41.5 Å²	41.5	7%	0.07	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	136.2	178.2	-70.9	-94	0	0	0	111.4	M282 M286 R294 F295 V306 Y310 L314 R320 L329	M282-F288 HydrophobicContact CE-CE1 4.46Å; M282-F288 HydrophobicContact CE-CZ 3.84Å; M282-F288 HydrophobicContact SD-CE2 4.08Å; M282-F288 HydrophobicContact SD-CZ 3.71Å; M286-F288 HydrophobicContact CB-CE2 4.22Å; F288-R294 CarbonylContact C-O 3.43Å; F288-R294 WeakPolarHBondContact CA-O 3.42Å; F288-F295 HydrophobicContact CD1-CB 3.83Å; F288-F295 HydrophobicContact CE1-CB 3.92Å; F288-F295 HydrophobicContact CE1-CD1 4.34Å; F288-F295 HydrophobicContact CE1-CG 4.46Å; F288-F295 HydrophobicContact CG-CB 4.17Å; F288-F295 HydrophobicContact CZ-CB 4.35Å; F288-V306 HydrophobicContact CD1-CG2 4.13Å; F288-V306 HydrophobicContact CE1-CG2 3.86Å; F288-Y310 HydrophobicContact CZ-CE1 4.4Å; F288-L314 HydrophobicContact CB-CD2 3.61Å; F288-R320 HydrophobicContact CB-CG 4.28Å; F288-R320 HydrophobicContact CD1-CG 4.16Å; F288-R320 HydrophobicContact CD2-CG 3.93Å; F288-R320 VanDerWaalsContact CE1-CD 3.49Å; F288-R320 VanDerWaalsContact CE2-CD 3.45Å; F288-R320 HydrophobicContact CE2-CG 4.29Å; F288-R320 HydrophobicContact CG-CG 3.86Å; F288-R320 VanDerWaalsContact CZ-CD 3.4Å; F288-L329 HydrophobicContact CE2-CD2 3.94Å; F288-L329 HydrophobicContact CZ-CD2 4.21Å
289	I	96.9	Very high	97.4	Very high	46 Å²	46	39.8 Å²	39.8	24%	0.236	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	-179.9	-176.6	66.4	173.2	0	0	0	110.4	G291 G292 R293 R294 L303	I289-G291 PolarHBondContact O-N 2.88Å; I289-G292 WeakPolarHBondContact O-CA 3.41Å; I289-G292 PolarHBondContact O-N 2.84Å; I289-R293 PolarHBondContact O-N 3.31Å; I289-R294 HydrophobicContact CD1-CB 4.47Å; I289-R294 HydrophobicContact CG1-CB 3.9Å; I289-R294 PolarHBondContact N-O 3.34Å; I289-R294 PolarHBondContact O-N 2.79Å; I289-L303 HydrophobicContact CD1-CD2 3.61Å
290	D	95.9	Very high	97.4	Very high	87 Å²	87	35.8 Å²	35.8	47%	0.465	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	52.5	41.6	178.2	-62.7	-17.1	0	0	0	112.6	G292 R293 R294	D290-G292 PolarHBondContact O-N 2.88Å; D290-R293 HydrophobicContact CB-CB 4.36Å; D290-R293 WeakPolarHBondContact O-CB 3.01Å; D290-R293 WeakPolarHBondContact O-CG 3.44Å; D290-R293 PolarHBondContact O-N 2.88Å; D290-R294 WeakPolarHBondContact OD2-CD 3.26Å; D290-R294 IonicContact OD2-CZ 2.65Å; D290-R294 IonicContact OD2-NE 3.57Å; D290-R294 IonicContact OD2-NH1 3.96Å; D290-R294 PolarHBondContact OD2-NH1 2.85Å
291	G	95.6	Very high	97.3	Very high	37 Å²	37	40.5 Å²	40.5	38%	0.381	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	68.9	17.6	-178.1	0	0	0	0	0	114.8	I289	I289-G291 PolarHBondContact O-N 2.88Å
292	G	97	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	101.8	0.4	-179.9	0	0	0	0	0	113.6	I289 D290 R294 V306 F311	I289-G292 WeakPolarHBondContact O-CA 3.41Å; I289-G292 PolarHBondContact O-N 2.84Å; D290-G292 PolarHBondContact O-N 2.88Å; G292-R294 VanDerWaalsContact C-N 3.33Å; G292-V306 WeakPolarHBondContact O-CG2 3.49Å; G292-F311 WeakPolarHBondContact O-CD2 3.4Å
293	R	97.6	Very high	97.2	Very high	170 Å²	170	44.4 Å²	44.4	64%	0.642	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-18.3	-177.4	-65	176.1	-179.9	170	0.2	113.4	I289 D290 V306 F311	I289-R293 PolarHBondContact O-N 3.31Å; D290-R293 HydrophobicContact CB-CB 4.36Å; D290-R293 WeakPolarHBondContact O-CB 3.01Å; D290-R293 WeakPolarHBondContact O-CG 3.44Å; D290-R293 PolarHBondContact O-N 2.88Å; R293-V306 PolarHBondContact O-N 2.95Å; R293-F311 HydrophobicContact CG-CD2 4.32Å; R293-F311 HydrophobicContact CG-CE2 3.74Å
294	R	98	Very high	97.3	Very high	108 Å²	108	44.7 Å²	44.7	41%	0.408	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	156.9	177	-62.2	-172.9	179.7	143.7	-9.6	110.2	F288 I289 D290 G292 T304	F288-R294 CarbonylContact C-O 3.43Å; F288-R294 WeakPolarHBondContact CA-O 3.42Å; I289-R294 HydrophobicContact CD1-CB 4.47Å; I289-R294 HydrophobicContact CG1-CB 3.9Å; I289-R294 PolarHBondContact N-O 3.34Å; I289-R294 PolarHBondContact O-N 2.79Å; D290-R294 WeakPolarHBondContact OD2-CD 3.26Å; D290-R294 IonicContact OD2-CZ 2.65Å; D290-R294 IonicContact OD2-NE 3.57Å; D290-R294 IonicContact OD2-NH1 3.96Å; D290-R294 PolarHBondContact OD2-NH1 2.85Å; G292-R294 VanDerWaalsContact C-N 3.33Å; R294-T304 CarbonylContact C-O 3.51Å; R294-T304 WeakPolarHBondContact CA-O 3.49Å; R294-T304 WeakPolarHBondContact CB-O 3.49Å
295	F	97.9	Very high	97.3	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	146.5	166.3	68.1	-88.4	0	0	0	111.3	V273 C275 M282 M286 N287 F288 L303 T304 V306	V273-F295 HydrophobicContact CG1-CE1 4.1Å; V273-F295 HydrophobicContact CG1-CZ 4.3Å; C275-F295 HydrophobicContact CB-CE2 4.44Å; M282-F295 HydrophobicContact CE-CD1 3.95Å; M282-F295 HydrophobicContact CE-CD2 4.32Å; M282-F295 HydrophobicContact CE-CE1 3.79Å; M282-F295 HydrophobicContact CE-CE2 4.19Å; M282-F295 HydrophobicContact CE-CG 4.2Å; M282-F295 HydrophobicContact CE-CZ 3.91Å; M286-F295 HydrophobicContact CB-CD2 4.35Å; M286-F295 HydrophobicContact CE-CE2 4.21Å; M286-F295 HydrophobicContact CG-CD2 4.32Å; M286-F295 HydrophobicContact SD-CD2 3.61Å; M286-F295 HydrophobicContact SD-CE2 3.73Å; N287-F295 CarbonylContact O-C 3.46Å; N287-F295 VanDerWaalsContact O-CA 3.27Å; N287-F295 WeakPolarHBondContact O-CA 3.36Å; F288-F295 HydrophobicContact CD1-CB 3.83Å; F288-F295 HydrophobicContact CE1-CB 3.92Å; F288-F295 HydrophobicContact CE1-CD1 4.34Å; F288-F295 HydrophobicContact CE1-CG 4.46Å; F288-F295 HydrophobicContact CG-CB 4.17Å; F288-F295 HydrophobicContact CZ-CB 4.35Å; F295-L303 WeakPolarHBondContact O-CA 3.5Å; F295-T304 HydrophobicContact CD1-CG2 4.33Å; F295-T304 VanDerWaalsContact CE1-CB 3.46Å; F295-T304 HydrophobicContact CE1-CG2 3.43Å; F295-T304 VanDerWaalsContact CE1-CG2 3.43Å; F295-T304 HydrophobicContact CE2-CG2 4.38Å; F295-T304 HydrophobicContact CZ-CG2 3.47Å; F295-T304 VanDerWaalsContact CZ-CG2 3.47Å; F295-T304 PolarHBondContact N-O 3.36Å; F295-T304 PolarHBondContact O-N 3.47Å; F295-V306 HydrophobicContact CD1-CG2 3.8Å
296	Q	98.2	Very high	97.4	Very high	66 Å²	66	49.3 Å²	49.3	31%	0.308	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.3	171.1	-170.8	178	26.9	0	0	109.2	N287 L303	N287-Q296 HydrophobicContact CB-CB 4.33Å; N287-Q296 PolarHBondContact N-O 3.35Å; N287-Q296 VanDerWaalsContact N-O 3.14Å; N287-Q296 PolarHBondContact O-N 3.25Å; Q296-L303 HydrophobicContact CB-CD2 3.75Å; Q296-L303 HydrophobicContact CG-CD2 4.01Å
297	C	98.5	Very high	97.3	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.			trans	-79.2	124.8	-179.8	-178.8	0	0	0	0	111.4	C275 M286 L299 C300 N301 G302	C275-C297 HydrophobicContact CB-CB 3.84Å; C275-C297 VanDerWaalsContact SG-CB 3.52Å; M286-C297 HydrophobicContact SD-CB 4.1Å; C297-L299 PolarHBondContact O-N 3.02Å; C297-C300 PolarHBondContact O-N 3.06Å; C297-N301 WeakPolarHBondContact O-CA 3.48Å; C297-N301 PolarHBondContact O-N 3.12Å; C297-G302 PolarHBondContact N-O 3.24Å
298	P	97	Very high	97.2	Very high	19 Å²	19	51.1 Å²	51.1	12%	0.123	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-18	-178.2	28.4	-34.7	0	0	0	113.1	F285 M286 F682	F285-P298 HydrophobicContact CB-CB 4.25Å; F285-P298 HydrophobicContact CB-CG 3.7Å; F285-P298 WeakPolarHBondContact O-CG 3.11Å; M286-P298 WeakPolarHBondContact SD-CD 3.24Å; P298-F682 HydrophobicContact CB-CD1 4.35Å; P298-F682 HydrophobicContact CB-CD2 3.75Å; P298-F682 HydrophobicContact CB-CE1 4.28Å; P298-F682 HydrophobicContact CB-CE2 3.66Å; P298-F682 HydrophobicContact CB-CG 4.08Å; P298-F682 HydrophobicContact CB-CZ 3.93Å
299	L	97.5	Very high	96.9	Very high	4 Å²	4	57 Å²	57	2%	0.021	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-36.1	179.1	-80.5	71.2	0	0	0	112.3	A280 C297 R632 S634 T635 F682 Q684	A280-L299 HydrophobicContact CB-CD2 3.94Å; C297-L299 PolarHBondContact O-N 3.02Å; L299-R632 HydrophobicContact CD2-CB 3.68Å; L299-S634 CarbonylContact O-C 3.55Å; L299-S634 VanDerWaalsContact O-CA 3.23Å; L299-S634 WeakPolarHBondContact O-CA 3.32Å; L299-T635 PolarHBondContact O-N 3.5Å; L299-T635 PolarHBondContact O-OG1 2.83Å; L299-T635 VanDerWaalsContact O-OG1 3.13Å; L299-F682 HydrophobicContact CD1-CB 3.87Å; L299-F682 HydrophobicContact CG-CB 4.31Å; L299-Q684 HydrophobicContact CD2-CB 4.33Å
300	C	96.7	Very high	96.9	Very high	21 Å²	21	54.9 Å²	54.9	14%	0.142	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	6.7	-171.8	78.1	0	0	0	0	114.8	R277 C278 C297 G302	R277-C300 PolarHBondContact NH1-O 3.24Å; C278-C300 HydrophobicContact CB-CB 3.81Å; C297-C300 PolarHBondContact O-N 3.06Å; C300-G302 PolarHBondContact O-N 3.43Å; C300-G302 PolarHBondContact SG-N 2.92Å
301	N	96.3	Very high	96.9	Very high	99 Å²	99	54 Å²	54	53%	0.529	28%	0.283	S	S	.	.			trans	54	19.3	-175.5	-63.1	-34.1	0	0	0	114.9	C297	C297-N301 WeakPolarHBondContact O-CA 3.48Å; C297-N301 PolarHBondContact O-N 3.12Å
302	G	97.4	Very high	97	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.01	27%	0.27	C	S	.	.			trans	-76.7	135.2	179.4	0	0	0	0	0	111.3	C297 C300	C297-G302 PolarHBondContact N-O 3.24Å; C300-G302 PolarHBondContact O-N 3.43Å; C300-G302 PolarHBondContact SG-N 2.92Å
303	L	98.2	Very high	97	Very high	91 Å²	91	58.6 Å²	58.6	48%	0.476	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	132.7	172.2	-64.8	176.6	0	0	0	110.1	I289 F295 Q296	I289-L303 HydrophobicContact CD1-CD2 3.61Å; F295-L303 WeakPolarHBondContact O-CA 3.5Å; Q296-L303 HydrophobicContact CB-CD2 3.75Å; Q296-L303 HydrophobicContact CG-CD2 4.01Å
304	T	98.5	Very high	97	Very high	8 Å²	8	52.5 Å²	52.5	5%	0.049	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.9	176.8	-56.5	0	0	0	0	109.2	V276 R294 F295	V276-T304 HydrophobicContact CG1-CG2 3.67Å; V276-T304 HydrophobicContact CG2-CG2 4.44Å; V276-T304 PolarHBondContact N-OG1 2.9Å; R294-T304 CarbonylContact C-O 3.51Å; R294-T304 WeakPolarHBondContact CA-O 3.49Å; R294-T304 WeakPolarHBondContact CB-O 3.49Å; F295-T304 HydrophobicContact CD1-CG2 4.33Å; F295-T304 VanDerWaalsContact CE1-CB 3.46Å; F295-T304 HydrophobicContact CE1-CG2 3.43Å; F295-T304 VanDerWaalsContact CE1-CG2 3.43Å; F295-T304 HydrophobicContact CE2-CG2 4.38Å; F295-T304 HydrophobicContact CZ-CG2 3.47Å; F295-T304 VanDerWaalsContact CZ-CG2 3.47Å; F295-T304 PolarHBondContact N-O 3.36Å; F295-T304 PolarHBondContact O-N 3.47Å
305	E	98.2	Very high	96.8	Very high	152 Å²	152	50 Å²	50	71%	0.71	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	138.4	172.9	-170.2	166.6	-171	0	0	110.7
306	V	97.4	Very high	96.6	Very high	16 Å²	16	58.6 Å²	58.6	10%	0.097	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-86.1	123.8	-179.5	177.8	0	0	0	0	108.9	F288 G292 R293 F295 Y310 F311	F288-V306 HydrophobicContact CD1-CG2 4.13Å; F288-V306 HydrophobicContact CE1-CG2 3.86Å; G292-V306 WeakPolarHBondContact O-CG2 3.49Å; R293-V306 PolarHBondContact O-N 2.95Å; F295-V306 HydrophobicContact CD1-CG2 3.8Å; V306-Y310 HydrophobicContact CG1-CD1 4.11Å; V306-F311 HydrophobicContact CG1-CB 4.14Å
307	A	95.5	Very high	96.3	Very high	46 Å²	46	59.6 Å²	59.6	38%	0.38	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-59	148.1	175	0	0	0	0	0	111.3	E309 Y310 F311	A307-E309 PolarHBondContact O-N 3.44Å; A307-Y310 PolarHBondContact O-N 3.49Å; A307-F311 PolarHBondContact O-N 3.33Å
308	A	94.4	Very high	95.9	Very high	85 Å²	85	61.4 Å²	61.4	70%	0.702	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-58	-36.9	-175	0	0	0	0	0	112.2	Y310 F311	A308-Y310 VanDerWaalsContact C-N 3.28Å; A308-Y310 PolarHBondContact O-N 3.38Å; A308-F311 PolarHBondContact O-N 3.49Å
309	E	93.1	Very high	95.7	Very high	140 Å²	140	69.1 Å²	69.1	65%	0.654	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-70.6	-22.5	-179.5	-56.8	76.4	-165.1	0	0	112.9	A307	A307-E309 PolarHBondContact O-N 3.44Å
310	Y	95.9	Very high	95.5	Very high	2 Å²	2	69.3 Å²	69.3	1%	0.008	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-105.7	-4.8	-179.5	-165.5	-101.2	0	0	0	113.1	M267 V273 M282 F288 V306 A307 A308 R320 R326 E328	M267-Y310 HydrophobicContact CE-CE2 4.31Å; M267-Y310 HydrophobicContact CG-CE2 4.39Å; M267-Y310 HydrophobicContact SD-CE2 4.39Å; V273-Y310 HydrophobicContact CG1-CD1 4.46Å; V273-Y310 HydrophobicContact CG2-CD1 3.99Å; V273-Y310 HydrophobicContact CG2-CD2 3.74Å; V273-Y310 HydrophobicContact CG2-CE1 4.33Å; V273-Y310 HydrophobicContact CG2-CE2 4.06Å; V273-Y310 HydrophobicContact CG2-CG 3.72Å; M282-Y310 HydrophobicContact CE-CE1 4Å; M282-Y310 HydrophobicContact CG-CE1 4.39Å; M282-Y310 WeakPolarHBondContact CG-OH 3.4Å; F288-Y310 HydrophobicContact CZ-CE1 4.4Å; V306-Y310 HydrophobicContact CG1-CD1 4.11Å; A307-Y310 PolarHBondContact O-N 3.49Å; A308-Y310 VanDerWaalsContact C-N 3.28Å; A308-Y310 PolarHBondContact O-N 3.38Å; Y310-R320 VanDerWaalsContact CD1-NH1 3.31Å; Y310-R320 PolarHBondContact O-NH1 3.35Å; Y310-R320 PolarHBondContact O-NH2 3.04Å; Y310-R326 VanDerWaalsContact CD2-NH1 3.29Å; Y310-E328 WeakPolarHBondContact OH-CG 3.43Å; Y310-E328 PolarHBondContact OH-OE1 3.35Å
311	F	96.4	Very high	95.5	Very high	69 Å²	69	72.6 Å²	72.6	30%	0.303	39%	0.386	S	S	.	.			trans	-66.6	138.6	-175.7	172.5	-100.1	0	0	0	112.3	G292 R293 V306 A307 A308 H313	G292-F311 WeakPolarHBondContact O-CD2 3.4Å; R293-F311 HydrophobicContact CG-CD2 4.32Å; R293-F311 HydrophobicContact CG-CE2 3.74Å; V306-F311 HydrophobicContact CG1-CB 4.14Å; A307-F311 PolarHBondContact O-N 3.33Å; A308-F311 PolarHBondContact O-N 3.49Å; F311-H313 AromaticContact CE1-CE1 3.77Å; F311-H313 AromaticContact CE1-NE2 3.76Å; F311-H313 AromaticContact CZ-CE1 3.7Å; F311-H313 AromaticContact CZ-ND1 3.68Å
312	A	96.8	Very high	95.5	Very high	12 Å²	12	69.1 Å²	69.1	10%	0.099	37%	0.368	C	S	.	.			trans	-146.1	153.6	164.5	0	0	0	0	0	109.5	R320 V321 D322	A312-R320 VanDerWaalsContact CB-NH2 3.33Å; A312-V321 HydrophobicContact CB-CG2 4.19Å; A312-D322 WeakPolarHBondContact CB-OD1 3.17Å
313	H	97.5	Very high	95.4	Very high	121 Å²	121	70 Å²	70	56%	0.56	38%	0.376	S	S	*	.			trans	-69.6	154.7	179.1	-70.2	-74.8	0	0	0	112.3	F311 R320 V321	F311-H313 AromaticContact CE1-CE1 3.77Å; F311-H313 AromaticContact CE1-NE2 3.76Å; F311-H313 AromaticContact CZ-CE1 3.7Å; F311-H313 AromaticContact CZ-ND1 3.68Å; H313-R320 WeakPolarHBondContact O-CA 3.36Å; H313-V321 WeakPolarHBondContact O-CG1 2.95Å; H313-V321 WeakPolarHBondContact O-CG2 3.35Å; H313-V321 PolarHBondContact O-N 3.14Å
314	L	97.5	Very high	95.2	Very high	42 Å²	42	69 Å²	69	22%	0.22	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-81.6	145.2	164.7	-55.1	-179.9	0	0	0	110.5	F288 R319 R320	F288-L314 HydrophobicContact CB-CD2 3.61Å; L314-R319 CarbonylContact C-O 3.54Å; L314-R319 VanDerWaalsContact CA-O 3.28Å; L314-R319 WeakPolarHBondContact CA-O 3.33Å; L314-R320 HydrophobicContact CD2-CB 4.49Å; L314-R320 HydrophobicContact CD2-CG 3.77Å
315	D	94.4	Very high	94.9	Very high	55 Å²	55	76.8 Å²	76.8	29%	0.294	42%	0.423	S	S	.	.			trans	-81.1	-177.7	167.8	70.6	19.2	0	0	0	111.5	T317 G318 R319 V321	D315-T317 PolarHBondContact O-N 3.04Å; D315-T317 VanDerWaalsContact OD1-CA 3.27Å; D315-T317 WeakPolarHBondContact OD1-CA 3.26Å; D315-T317 WeakPolarHBondContact OD1-CB 3.44Å; D315-T317 PolarHBondContact OD1-N 3.01Å; D315-T317 PolarHBondContact OD1-OG1 3.5Å; D315-T317 PolarHBondContact OD2-OG1 2.76Å; D315-G318 PolarHBondContact O-N 3.21Å; D315-G318 VanDerWaalsContact O-N 3.12Å; D315-G318 PolarHBondContact OD1-N 3.03Å; D315-G318 VanDerWaalsContact OD1-N 3.12Å; D315-R319 VanDerWaalsContact CG-O 3.23Å; D315-R319 PolarHBondContact N-O 2.83Å; D315-R319 PolarHBondContact OD1-N 3.07Å; D315-V321 HydrophobicContact CB-CG1 4.18Å
316	H	92.4	Very high	94.8	Very high	181 Å²	181	71.9 Å²	71.9	84%	0.838	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-12.8	179.7	62.7	-80.8	0	0	0	114
317	T	92.2	Very high	94.8	Very high	87 Å²	87	72 Å²	72	53%	0.534	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-1	176	75	0	0	0	0	113	D315 R319	D315-T317 PolarHBondContact O-N 3.04Å; D315-T317 VanDerWaalsContact OD1-CA 3.27Å; D315-T317 WeakPolarHBondContact OD1-CA 3.26Å; D315-T317 WeakPolarHBondContact OD1-CB 3.44Å; D315-T317 PolarHBondContact OD1-N 3.01Å; D315-T317 PolarHBondContact OD1-OG1 3.5Å; D315-T317 PolarHBondContact OD2-OG1 2.76Å; T317-R319 VanDerWaalsContact C-N 3.29Å
318	G	90.2	Very high	94.9	Very high	38 Å²	38	69.8 Å²	69.8	39%	0.392	38%	0.381	S	S	.	.	S	Bend	trans	79.5	8.7	-175.9	0	0	0	0	0	113.9	D315	D315-G318 PolarHBondContact O-N 3.21Å; D315-G318 VanDerWaalsContact O-N 3.12Å; D315-G318 PolarHBondContact OD1-N 3.03Å; D315-G318 VanDerWaalsContact OD1-N 3.12Å
319	R	92.7	Very high	95	Very high	181 Å²	181	66.7 Å²	66.7	68%	0.683	35%	0.352	S	S	*	.	S	Bend	trans	-91.7	151.7	172.1	-70.5	-171.6	175	-164.5	-0.9	110.1	L314 D315 T317	L314-R319 CarbonylContact C-O 3.54Å; L314-R319 VanDerWaalsContact CA-O 3.28Å; L314-R319 WeakPolarHBondContact CA-O 3.33Å; D315-R319 VanDerWaalsContact CG-O 3.23Å; D315-R319 PolarHBondContact N-O 2.83Å; D315-R319 PolarHBondContact OD1-N 3.07Å; T317-R319 VanDerWaalsContact C-N 3.29Å
320	R	94.6	Very high	95.2	Very high	8 Å²	8	62.2 Å²	62.2	3%	0.03	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-64.5	139.2	171.4	-81.5	-179.6	58.2	147	3.5	111	F288 Y310 A312 H313 L314 D322 A323	F288-R320 HydrophobicContact CB-CG 4.28Å; F288-R320 HydrophobicContact CD1-CG 4.16Å; F288-R320 HydrophobicContact CD2-CG 3.93Å; F288-R320 VanDerWaalsContact CE1-CD 3.49Å; F288-R320 VanDerWaalsContact CE2-CD 3.45Å; F288-R320 HydrophobicContact CE2-CG 4.29Å; F288-R320 HydrophobicContact CG-CG 3.86Å; F288-R320 VanDerWaalsContact CZ-CD 3.4Å; Y310-R320 VanDerWaalsContact CD1-NH1 3.31Å; Y310-R320 PolarHBondContact O-NH1 3.35Å; Y310-R320 PolarHBondContact O-NH2 3.04Å; A312-R320 VanDerWaalsContact CB-NH2 3.33Å; H313-R320 WeakPolarHBondContact O-CA 3.36Å; L314-R320 HydrophobicContact CD2-CB 4.49Å; L314-R320 HydrophobicContact CD2-CG 3.77Å; R320-D322 WeakPolarHBondContact CB-OD1 3.29Å; R320-D322 IonicContact CZ-OD1 2.75Å; R320-D322 IonicContact CZ-OD2 3.59Å; R320-D322 IonicContact NE-OD1 2.66Å; R320-D322 PolarHBondContact NE-OD1 3.42Å; R320-D322 IonicContact NE-OD2 2.71Å; R320-D322 IonicContact NH2-OD1 3.16Å; R320-D322 PolarHBondContact NH2-OD1 2.76Å; R320-D322 IonicContact NH2-OD2 3.61Å; R320-D322 PolarHBondContact NH2-OD2 3.18Å; R320-D322 PolarHBondContact O-N 3.29Å; R320-A323 HydrophobicContact CB-CB 4.35Å; R320-A323 VanDerWaalsContact O-CB 3.29Å; R320-A323 WeakPolarHBondContact O-CB 3.4Å; R320-A323 PolarHBondContact O-N 3.1Å; R320-A323 VanDerWaalsContact O-N 3.12Å
321	V	96.6	Very high	95.3	Very high	90 Å²	90	63 Å²	63	55%	0.545	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.8	-179.4	-66.2	0	0	0	0	113.8	A312 H313 D315	A312-V321 HydrophobicContact CB-CG2 4.19Å; H313-V321 WeakPolarHBondContact O-CG1 2.95Å; H313-V321 WeakPolarHBondContact O-CG2 3.35Å; H313-V321 PolarHBondContact O-N 3.14Å; D315-V321 HydrophobicContact CB-CG1 4.18Å
322	D	96	Very high	95.3	Very high	26 Å²	26	59.7 Å²	59.7	14%	0.139	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	3.7	-178.3	63.3	-22.5	0	0	0	113.4	A312 R320 G324 Q325 R326	A312-D322 WeakPolarHBondContact CB-OD1 3.17Å; R320-D322 WeakPolarHBondContact CB-OD1 3.29Å; R320-D322 IonicContact CZ-OD1 2.75Å; R320-D322 IonicContact CZ-OD2 3.59Å; R320-D322 IonicContact NE-OD1 2.66Å; R320-D322 PolarHBondContact NE-OD1 3.42Å; R320-D322 IonicContact NE-OD2 2.71Å; R320-D322 IonicContact NH2-OD1 3.16Å; R320-D322 PolarHBondContact NH2-OD1 2.76Å; R320-D322 IonicContact NH2-OD2 3.61Å; R320-D322 PolarHBondContact NH2-OD2 3.18Å; R320-D322 PolarHBondContact O-N 3.29Å; D322-G324 VanDerWaalsContact C-N 3.25Å; D322-G324 PolarHBondContact O-N 3.01Å; D322-G324 VanDerWaalsContact O-N 3.15Å; D322-Q325 PolarHBondContact O-N 3.17Å; D322-R326 PolarHBondContact O-N 3.12Å; D322-R326 VanDerWaalsContact OD2-CD 3.32Å; D322-R326 WeakPolarHBondContact OD2-CD 3.43Å; D322-R326 IonicContact OD2-NH1 3.38Å
323	A	94.8	Very high	95.4	Very high	21 Å²	21	59.3 Å²	59.3	17%	0.174	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-56.9	-36.2	-173	0	0	0	0	0	113.5	R320 Q325 L329 C330	R320-A323 HydrophobicContact CB-CB 4.35Å; R320-A323 VanDerWaalsContact O-CB 3.29Å; R320-A323 WeakPolarHBondContact O-CB 3.4Å; R320-A323 PolarHBondContact O-N 3.1Å; R320-A323 VanDerWaalsContact O-N 3.12Å; A323-Q325 VanDerWaalsContact C-N 3.28Å; A323-Q325 PolarHBondContact O-N 3.36Å; A323-L329 HydrophobicContact CB-CB 4.25Å; A323-L329 HydrophobicContact CB-CD1 4.49Å; A323-C330 WeakPolarHBondContact O-CB 3.47Å
324	G	93.2	Very high	95.4	Very high	70 Å²	70	53.5 Å²	53.5	72%	0.722	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-74.1	-13.8	177.9	0	0	0	0	0	114.8	D322	D322-G324 VanDerWaalsContact C-N 3.25Å; D322-G324 PolarHBondContact O-N 3.01Å; D322-G324 VanDerWaalsContact O-N 3.15Å
325	Q	94.2	Very high	95.5	Very high	171 Å²	171	51.9 Å²	51.9	80%	0.799	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-99.6	-12.4	-178.1	-60.4	177	9.2	0	0	112.6	D322 A323	D322-Q325 PolarHBondContact O-N 3.17Å; A323-Q325 VanDerWaalsContact C-N 3.28Å; A323-Q325 PolarHBondContact O-N 3.36Å
326	R	95.9	Very high	95.6	Very high	48 Å²	48	49.3 Å²	49.3	18%	0.181	27%	0.273	C	S	.	.			trans	-111.8	113.5	-176	-60.8	-164.7	80.7	142.1	15.7	110.2	Y310 D322 E328 L329 C330	Y310-R326 VanDerWaalsContact CD2-NH1 3.29Å; D322-R326 PolarHBondContact O-N 3.12Å; D322-R326 VanDerWaalsContact OD2-CD 3.32Å; D322-R326 WeakPolarHBondContact OD2-CD 3.43Å; D322-R326 IonicContact OD2-NH1 3.38Å; R326-E328 HydrophobicContact CB-CG 4.5Å; R326-E328 IonicContact CZ-OE1 2.58Å; R326-E328 IonicContact NE-OE1 3.44Å; R326-E328 PolarHBondContact NE-OE1 3.01Å; R326-E328 IonicContact NH2-OE1 3.43Å; R326-E328 PolarHBondContact NH2-OE1 3.21Å; R326-E328 PolarHBondContact O-N 2.93Å; R326-L329 HydrophobicContact CB-CB 4.24Å; R326-L329 HydrophobicContact CB-CD1 4.08Å; R326-L329 HydrophobicContact CB-CG 4.05Å; R326-L329 HydrophobicContact CG-CD1 4.47Å; R326-L329 PolarHBondContact O-N 2.58Å; R326-C330 PolarHBondContact O-N 3.45Å; R326-C330 PolarHBondContact O-SG 3.39Å
327	P	96.6	Very high	95.8	Very high	19 Å²	19	43.1 Å²	43.1	12%	0.123	25%	0.246	C	C	.	.	H	α-helix	trans	-58.2	-35.1	-175.4	26.1	-36.6	0	0	0	112.3	V263 L329 C330 L331	V263-P327 HydrophobicContact CB-CB 4.12Å; V263-P327 HydrophobicContact CB-CG 4.38Å; V263-P327 HydrophobicContact CG1-CB 4.21Å; V263-P327 HydrophobicContact CG1-CG 3.99Å; P327-L329 PolarHBondContact O-N 3.15Å; P327-L329 VanDerWaalsContact O-N 3.16Å; P327-C330 PolarHBondContact O-N 3.34Å; P327-L331 HydrophobicContact CB-CD1 3.74Å; P327-L331 HydrophobicContact CB-CG 4.3Å; P327-L331 WeakPolarHBondContact O-CB 3.14Å; P327-L331 PolarHBondContact O-N 3Å
328	E	97.4	Very high	96	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.5	-13.5	177	69.2	-90	-158.4	0	0	114.7	S265 M267 M282 N283 P284 Y310 R326 Y334 L336	S265-E328 WeakPolarHBondContact CB-OE2 3.36Å; S265-E328 PolarHBondContact OG-OE2 3.29Å; M267-E328 HydrophobicContact CE-CB 3.81Å; M267-E328 VanDerWaalsContact CE-CD 3.43Å; M267-E328 HydrophobicContact CE-CG 3.35Å; M267-E328 WeakPolarHBondContact CE-OE1 3.47Å; M282-E328 HydrophobicContact CG-CG 4.03Å; N283-E328 CarbonylContact C-O 3.57Å; N283-E328 WeakPolarHBondContact CA-O 3.45Å; P284-E328 WeakPolarHBondContact CD-O 3.19Å; Y310-E328 WeakPolarHBondContact OH-CG 3.43Å; Y310-E328 PolarHBondContact OH-OE1 3.35Å; R326-E328 HydrophobicContact CB-CG 4.5Å; R326-E328 IonicContact CZ-OE1 2.58Å; R326-E328 IonicContact NE-OE1 3.44Å; R326-E328 PolarHBondContact NE-OE1 3.01Å; R326-E328 IonicContact NH2-OE1 3.43Å; R326-E328 PolarHBondContact NH2-OE1 3.21Å; R326-E328 PolarHBondContact O-N 2.93Å; E328-Y334 HydrophobicContact CB-CD2 3.96Å; E328-Y334 HydrophobicContact CB-CE1 4.38Å; E328-Y334 HydrophobicContact CB-CE2 3.61Å; E328-Y334 HydrophobicContact CB-CG 4.48Å; E328-L336 HydrophobicContact CB-CD2 4.49Å
329	L	97.1	Very high	96.2	Very high	19 Å²	19	39.2 Å²	39.2	10%	0.099	22%	0.215	C	C	.	.	H	α-helix	trans	-106.2	-11.2	179.6	-62.6	-175.1	0	0	0	112.8	M282 P284 F288 A323 R326 P327	M282-L329 HydrophobicContact CG-CD2 3.7Å; M282-L329 HydrophobicContact SD-CD2 3.64Å; P284-L329 WeakPolarHBondContact CA-O 3.48Å; F288-L329 HydrophobicContact CE2-CD2 3.94Å; F288-L329 HydrophobicContact CZ-CD2 4.21Å; A323-L329 HydrophobicContact CB-CB 4.25Å; A323-L329 HydrophobicContact CB-CD1 4.49Å; R326-L329 HydrophobicContact CB-CB 4.24Å; R326-L329 HydrophobicContact CB-CD1 4.08Å; R326-L329 HydrophobicContact CB-CG 4.05Å; R326-L329 HydrophobicContact CG-CD1 4.47Å; R326-L329 PolarHBondContact O-N 2.58Å; P327-L329 PolarHBondContact O-N 3.15Å; P327-L329 VanDerWaalsContact O-N 3.16Å
330	C	96.1	Very high	96.2	Very high	46 Å²	46	32.4 Å²	32.4	31%	0.311	20%	0.198	S	C	.	.	H	α-helix	trans	-131.8	-18.3	-176.1	64.9	0	0	0	0	115.6	G217 A323 R326 P327	G217-C330 WeakPolarHBondContact CA-O 3.19Å; G217-C330 PolarHBondContact N-O 2.96Å; A323-C330 WeakPolarHBondContact O-CB 3.47Å; R326-C330 PolarHBondContact O-N 3.45Å; R326-C330 PolarHBondContact O-SG 3.39Å; P327-C330 PolarHBondContact O-N 3.34Å
331	L	97.8	Very high	96.2	Very high	19 Å²	19	38 Å²	38	10%	0.099	22%	0.224	C	C	.	.			trans	-108.2	142.9	179.5	-55.4	179.3	0	0	0	111.3	D215 M260 V263 P284 P327 Y334	D215-L331 HydrophobicContact CB-CD2 4.24Å; M260-L331 HydrophobicContact CE-CD1 3.7Å; M260-L331 HydrophobicContact SD-CD1 4.29Å; M260-L331 HydrophobicContact SD-CD2 4.27Å; V263-L331 HydrophobicContact CG2-CD1 4.43Å; P284-L331 WeakPolarHBondContact CD-O 3.48Å; P284-L331 WeakPolarHBondContact CG-O 3.26Å; P327-L331 HydrophobicContact CB-CD1 3.74Å; P327-L331 HydrophobicContact CB-CG 4.3Å; P327-L331 WeakPolarHBondContact O-CB 3.14Å; P327-L331 PolarHBondContact O-N 3Å; L331-Y334 HydrophobicContact CB-CD1 4.4Å; L331-Y334 VanDerWaalsContact O-CD1 3.31Å; L331-Y334 WeakPolarHBondContact O-CD1 3.37Å; L331-Y334 VanDerWaalsContact O-CE1 3.22Å; L331-Y334 WeakPolarHBondContact O-CE1 3.45Å
332	G	97.7	Very high	96	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-73.9	-29.6	172.8	0	0	0	0	0	112.6	D215 G217 H701 N702	D215-G332 VanDerWaalsContact CG-N 3.25Å; D215-G332 PolarHBondContact OD1-N 2.68Å; D215-G332 PolarHBondContact OD2-N 3.44Å; G217-G332 WeakPolarHBondContact O-CA 3.48Å; G332-H701 CarbonylContact O-C 3.52Å; G332-H701 WeakPolarHBondContact O-CA 3.17Å; G332-N702 PolarHBondContact O-N 2.75Å; G332-N702 PolarHBondContact O-ND2 2.84Å
333	S	98.6	Very high	95.9	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.1	175.5	-60.8	0	0	0	0	113	D215 C219 F223 I700 H701	D215-S333 PolarHBondContact OD2-N 3.13Å; C219-S333 WeakPolarHBondContact CB-OG 3.43Å; F223-S333 WeakPolarHBondContact CD2-OG 3.26Å; S333-I700 VanDerWaalsContact CA-O 3.29Å; S333-I700 WeakPolarHBondContact CA-O 3.48Å; S333-H701 WeakPolarHBondContact CB-ND1 3.41Å; S333-H701 PolarHBondContact OG-ND1 3.04Å
334	Y	98.3	Very high	95.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	168.4	177	49.4	-86.3	0	0	0	110.8	M282 N283 E328 L331 L336 I700 N702	M282-Y334 PolarHBondContact O-OH 2.85Å; N283-Y334 WeakPolarHBondContact CA-OH 3.47Å; N283-Y334 WeakPolarHBondContact CB-OH 3.5Å; E328-Y334 HydrophobicContact CB-CD2 3.96Å; E328-Y334 HydrophobicContact CB-CE1 4.38Å; E328-Y334 HydrophobicContact CB-CE2 3.61Å; E328-Y334 HydrophobicContact CB-CG 4.48Å; L331-Y334 HydrophobicContact CB-CD1 4.4Å; L331-Y334 VanDerWaalsContact O-CD1 3.31Å; L331-Y334 WeakPolarHBondContact O-CD1 3.37Å; L331-Y334 VanDerWaalsContact O-CE1 3.22Å; L331-Y334 WeakPolarHBondContact O-CE1 3.45Å; Y334-L336 HydrophobicContact CD2-CD2 3.77Å; Y334-L336 HydrophobicContact CD2-CG 4.13Å; Y334-L336 HydrophobicContact CE2-CD1 4.31Å; Y334-L336 HydrophobicContact CE2-CD2 3.9Å; Y334-L336 HydrophobicContact CE2-CG 4.13Å; Y334-I700 HydrophobicContact CD2-CB 4.21Å; Y334-I700 HydrophobicContact CD2-CG1 4.31Å; Y334-I700 HydrophobicContact CE1-CB 4.47Å; Y334-I700 HydrophobicContact CE1-CG2 4.44Å; Y334-I700 HydrophobicContact CE2-CB 3.75Å; Y334-I700 HydrophobicContact CE2-CG1 3.82Å; Y334-I700 HydrophobicContact CE2-CG2 4.14Å; Y334-I700 PolarHBondContact N-O 3.46Å; Y334-I700 VanDerWaalsContact N-O 3.14Å; Y334-I700 PolarHBondContact O-N 2.87Å; Y334-I700 WeakPolarHBondContact OH-CG2 3.48Å; Y334-N702 VanDerWaalsContact CE1-ND2 3.28Å; Y334-N702 WeakPolarHBondContact CE1-ND2 3.5Å; Y334-N702 PolarHBondContact OH-ND2 2.62Å; Y334-N702 VanDerWaalsContact OH-ND2 3.13Å
335	E	98.1	Very high	95.3	Very high	8 Å²	8	43.2 Å²	43.2	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	148.4	171.2	-84.4	175.6	-167.4	0	0	111.4	I262 V263 I264 S265 Y689 R697 L698 R699	I262-E335 HydrophobicContact CG2-CB 4.19Å; I262-E335 HydrophobicContact CG2-CG 3.79Å; V263-E335 PolarHBondContact O-N 2.89Å; I264-E335 CarbonylContact C-O 3.6Å; I264-E335 HydrophobicContact CB-CB 4.39Å; I264-E335 HydrophobicContact CG1-CB 3.94Å; S265-E335 PolarHBondContact N-O 2.9Å; E335-Y689 PolarHBondContact OE1-OH 3.4Å; E335-Y689 PolarHBondContact OE2-OH 2.72Å; E335-R697 IonicContact OE2-NH1 2.98Å; E335-L698 CarbonylContact C-O 3.57Å; E335-L698 WeakPolarHBondContact CA-O 3.23Å; E335-R699 HydrophobicContact CG-CB 4.05Å; E335-R699 HydrophobicContact CG-CG 4.33Å; E335-R699 IonicContact OE1-CZ 3.59Å; E335-R699 IonicContact OE1-NE 3.47Å; E335-R699 PolarHBondContact OE1-NE 2.77Å; E335-R699 IonicContact OE1-NH2 2.74Å; E335-R699 PolarHBondContact OE1-NH2 2.84Å
336	L	97.6	Very high	95.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137.9	171.8	-52.1	175.7	0	0	0	109.3	S265 M267 P272 Y281 E328 Y334 A338 R697 L698 I700	S265-L336 WeakPolarHBondContact O-CA 3.44Å; M267-L336 HydrophobicContact CE-CD1 4.38Å; M267-L336 HydrophobicContact CE-CD2 3.55Å; M267-L336 HydrophobicContact SD-CD2 4.29Å; P272-L336 HydrophobicContact CB-CD1 3.86Å; P272-L336 HydrophobicContact CG-CB 4.25Å; P272-L336 HydrophobicContact CG-CD1 4.29Å; Y281-L336 HydrophobicContact CD1-CD1 4.09Å; Y281-L336 HydrophobicContact CG-CD1 4.49Å; E328-L336 HydrophobicContact CB-CD2 4.49Å; Y334-L336 HydrophobicContact CD2-CD2 3.77Å; Y334-L336 HydrophobicContact CD2-CG 4.13Å; Y334-L336 HydrophobicContact CE2-CD1 4.31Å; Y334-L336 HydrophobicContact CE2-CD2 3.9Å; Y334-L336 HydrophobicContact CE2-CG 4.13Å; L336-A338 PolarHBondContact O-N 2.89Å; L336-R697 CarbonylContact O-C 3.55Å; L336-R697 WeakPolarHBondContact O-CA 3.33Å; L336-L698 HydrophobicContact CB-CB 4.11Å; L336-L698 PolarHBondContact N-O 2.86Å; L336-L698 PolarHBondContact O-N 3.25Å; L336-I700 HydrophobicContact CD1-CG1 4.15Å; L336-I700 HydrophobicContact CG-CG1 4.33Å
337	L	95.9	Very high	95	Very high	51 Å²	51	43.9 Å²	43.9	27%	0.267	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	127.6	166.2	-68.8	-176.6	0	0	0	109.6	I264 S265 D266 R697	I264-L337 HydrophobicContact CG2-CD2 3.84Å; I264-L337 HydrophobicContact CG2-CG 3.82Å; S265-L337 PolarHBondContact O-N 2.89Å; S265-L337 VanDerWaalsContact O-N 3.13Å; D266-L337 HydrophobicContact CB-CD1 3.92Å; L337-R697 HydrophobicContact CD2-CG 4.1Å
338	A	95.8	Very high	94.9	Very high	12 Å²	12	48.6 Å²	48.6	10%	0.099	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-93.9	137.8	177.3	0	0	0	0	0	110.1	L336 Y342 L688 R696 L698	L336-A338 PolarHBondContact O-N 2.89Å; A338-Y342 HydrophobicContact CB-CD2 4.12Å; A338-Y342 HydrophobicContact CB-CG 3.96Å; A338-L688 HydrophobicContact CB-CD1 4.09Å; A338-R696 HydrophobicContact CB-CB 4.08Å; A338-R696 HydrophobicContact CB-CG 3.88Å; A338-R696 WeakPolarHBondContact CB-O 3.4Å; A338-R696 PolarHBondContact N-O 3.19Å; A338-L698 HydrophobicContact CB-CD1 4.42Å
339	T	94.5	Very high	94.8	Very high	30 Å²	30	50.1 Å²	50.1	18%	0.184	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-75.3	167.6	174.6	42.1	0	0	0	0	111.4	E341 Y342	T339-E341 PolarHBondContact O-N 2.81Å; T339-E341 VanDerWaalsContact O-N 3.12Å; T339-E341 WeakPolarHBondContact OG1-CG 3.44Å; T339-E341 PolarHBondContact OG1-OE1 3.3Å; T339-Y342 WeakPolarHBondContact O-CB 3.47Å; T339-Y342 PolarHBondContact O-N 3.06Å; T339-Y342 WeakPolarHBondContact OG1-CD2 3.34Å
340	A	93.8	Very high	94.8	Very high	39 Å²	39	52.7 Å²	52.7	32%	0.322	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-58.7	-25.4	-179.4	0	0	0	0	0	113.5	Y342 C343 N346 L348	A340-Y342 PolarHBondContact O-N 3.36Å; A340-C343 VanDerWaalsContact O-CB 3.29Å; A340-C343 WeakPolarHBondContact O-CB 3.2Å; A340-C343 PolarHBondContact O-N 3.09Å; A340-N346 WeakPolarHBondContact O-CA 3.44Å; A340-L348 HydrophobicContact CB-CD2 4.43Å
341	E	93.5	Very high	94.8	Very high	124 Å²	124	51.8 Å²	51.8	58%	0.579	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-62.3	-19.6	175.2	75.8	-168.9	143	0	0	113.7	T339 C343	T339-E341 PolarHBondContact O-N 2.81Å; T339-E341 VanDerWaalsContact O-N 3.12Å; T339-E341 WeakPolarHBondContact OG1-CG 3.44Å; T339-E341 PolarHBondContact OG1-OE1 3.3Å; E341-C343 VanDerWaalsContact C-N 3.26Å
342	Y	93.4	Very high	94.8	Very high	35 Å²	35	50.9 Å²	50.9	14%	0.137	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-87.1	4	174.3	-71	-95.6	0	0	0	112.9	P272 R274 Y281 A338 T339 A340 L688 L698	P272-Y342 HydrophobicContact CG-CE2 4.25Å; R274-Y342 WeakPolarHBondContact CD-OH 3.29Å; R274-Y342 PolarHBondContact NH1-OH 3.17Å; Y281-Y342 HydrophobicContact CE1-CE1 4.46Å; A338-Y342 HydrophobicContact CB-CD2 4.12Å; A338-Y342 HydrophobicContact CB-CG 3.96Å; T339-Y342 WeakPolarHBondContact O-CB 3.47Å; T339-Y342 PolarHBondContact O-N 3.06Å; T339-Y342 WeakPolarHBondContact OG1-CD2 3.34Å; A340-Y342 PolarHBondContact O-N 3.36Å; Y342-L688 HydrophobicContact CD1-CD1 3.97Å; Y342-L688 HydrophobicContact CD1-CD2 4.22Å; Y342-L688 HydrophobicContact CG-CD1 4.36Å; Y342-L698 HydrophobicContact CD1-CD1 4.38Å; Y342-L698 HydrophobicContact CE1-CD1 4.01Å
343	C	92.9	Very high	94.8	Very high	15 Å²	15	50.9 Å²	50.9	10%	0.101	27%	0.267	C	S	.	.	S	Bend	trans	-113.6	150.2	-175.4	-52.2	0	0	0	0	111.1	A340 E341 N345 N346 Q347	A340-C343 VanDerWaalsContact O-CB 3.29Å; A340-C343 WeakPolarHBondContact O-CB 3.2Å; A340-C343 PolarHBondContact O-N 3.09Å; E341-C343 VanDerWaalsContact C-N 3.26Å; C343-N345 PolarHBondContact O-N 2.89Å; C343-N346 PolarHBondContact O-N 3.01Å; C343-Q347 WeakPolarHBondContact CB-O 3.33Å
344	K	85.5	Confident	94.8	Very high	124 Å²	124	50.8 Å²	50.8	54%	0.539	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-57.2	134.3	174.9	-69.2	-177.4	178.7	177.8	0	109	N346 Q347 E565	K344-N346 PolarHBondContact O-N 3.24Å; K344-N346 VanDerWaalsContact O-N 3.1Å; K344-Q347 PolarHBondContact O-N 3.34Å; K344-E565 PolarHBondContact NZ-O 3.42Å
345	N	90	Very high	94.8	Very high	143 Å²	143	50.8 Å²	50.8	77%	0.765	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	56	23.2	179.8	-53.2	-29	0	0	0	115	C343 Q347	C343-N345 PolarHBondContact O-N 2.89Å; N345-Q347 PolarHBondContact O-N 3.35Å
346	N	92.2	Very high	94.8	Very high	114 Å²	114	50.5 Å²	50.5	61%	0.61	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	55.5	28.8	-175.1	-67.9	-20.6	0	0	0	114.3	A340 C343 K344	A340-N346 WeakPolarHBondContact O-CA 3.44Å; C343-N346 PolarHBondContact O-N 3.01Å; K344-N346 PolarHBondContact O-N 3.24Å; K344-N346 VanDerWaalsContact O-N 3.1Å
347	Q	93.1	Very high	94.9	Very high	120 Å²	120	50.4 Å²	50.4	56%	0.561	27%	0.265	S	S	*	.			trans	-113.9	130.4	177.2	-70.7	-177.7	-14.8	0	0	110.2	C343 K344 N345	C343-Q347 WeakPolarHBondContact CB-O 3.33Å; K344-Q347 PolarHBondContact O-N 3.34Å; N345-Q347 PolarHBondContact O-N 3.35Å
348	L	93.6	Very high	95	Very high	117 Å²	117	48.1 Å²	48.1	61%	0.613	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-60.1	139.2	175.6	-68.6	175	0	0	0	110.2	A340	A340-L348 HydrophobicContact CB-CD2 4.43Å
349	P	95.8	Very high	95	Very high	33 Å²	33	47.6 Å²	47.6	21%	0.214	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-68.6	150.1	-175.7	27.6	-32.7	0	0	0	111.5	T690 R696	P349-T690 HydrophobicContact CB-CG2 3.75Å; P349-T690 HydrophobicContact CG-CG2 3.7Å; P349-R696 HydrophobicContact CG-CB 4.22Å
350	L	95.6	Very high	95.1	Very high	72 Å²	72	46.4 Å²	46.4	38%	0.377	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-77.2	157.7	167.9	-67.1	175.6	0	0	0	110.5	R511	L350-R511 HydrophobicContact CB-CG 3.78Å; L350-R511 HydrophobicContact CD1-CG 4.06Å
351	P	96.2	Very high	95	Very high	28 Å²	28	44.6 Å²	44.6	18%	0.182	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-54.5	144.4	169.1	-23.8	31.8	0	0	0	111.7	P398 R511	P351-P398 HydrophobicContact CB-CB 3.91Å; P351-P398 WeakPolarHBondContact CB-O 3.48Å; P351-P398 HydrophobicContact CG-CB 3.98Å; P351-R511 PolarHBondContact O-NH1 3.25Å
352	P	97.7	Very high	94.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-69	166.3	-176.6	28.7	-33.9	0	0	0	112.6	I399 R400 S512 F625 V692	P352-I399 HydrophobicContact CG-CG1 4.31Å; P352-I399 WeakPolarHBondContact O-CA 3.25Å; P352-R400 PolarHBondContact O-N 3.4Å; P352-S512 CarbonylContact C-O 3.58Å; P352-S512 WeakPolarHBondContact CA-O 3.43Å; P352-S512 WeakPolarHBondContact CB-O 3.47Å; P352-F625 HydrophobicContact CB-CD1 3.92Å; P352-F625 HydrophobicContact CB-CD2 3.67Å; P352-F625 HydrophobicContact CB-CE1 3.87Å; P352-F625 HydrophobicContact CB-CE2 3.66Å; P352-F625 HydrophobicContact CB-CG 3.79Å; P352-F625 HydrophobicContact CB-CZ 3.72Å; P352-F625 HydrophobicContact CG-CD2 3.51Å; P352-F625 HydrophobicContact CG-CE1 4.47Å; P352-F625 HydrophobicContact CG-CE2 3.35Å; P352-F625 HydrophobicContact CG-CG 4.16Å; P352-F625 HydrophobicContact CG-CZ 3.85Å; P352-V692 WeakPolarHBondContact CD-O 3.46Å
353	A	98.1	Very high	94.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	152.4	172.2	0	0	0	0	0	112.1	R400 L461 L506 S512 G513 K514	A353-R400 CarbonylContact C-O 3.55Å; A353-R400 WeakPolarHBondContact CA-O 3.48Å; A353-R400 HydrophobicContact CB-CB 4.13Å; A353-L461 HydrophobicContact CB-CD1 3.9Å; A353-L461 HydrophobicContact CB-CD2 4Å; A353-L506 HydrophobicContact CB-CD2 3.74Å; A353-S512 PolarHBondContact N-O 3.41Å; A353-G513 CarbonylContact O-C 3.57Å; A353-G513 WeakPolarHBondContact O-CA 3.49Å; A353-K514 PolarHBondContact O-N 3.23Å
354	I	98.6	Very high	94.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123	177.4	-61.9	180	0	0	0	108.2	F356 L385 P386 I399 R400 L401 G402 K514 F516 L619 L622	I354-F356 HydrophobicContact CG2-CD2 4.39Å; I354-F356 HydrophobicContact CG2-CE2 3.71Å; I354-F356 HydrophobicContact CG2-CZ 3.8Å; I354-L385 HydrophobicContact CD1-CD2 4.08Å; I354-P386 HydrophobicContact CD1-CG 4.38Å; I354-I399 HydrophobicContact CB-CG2 4.45Å; I354-I399 HydrophobicContact CD1-CD1 4.47Å; I354-I399 HydrophobicContact CD1-CG2 4.03Å; I354-I399 HydrophobicContact CG1-CG2 3.9Å; I354-R400 PolarHBondContact N-O 2.9Å; I354-L401 HydrophobicContact CB-CD2 3.86Å; I354-L401 HydrophobicContact CG2-CD2 4.46Å; I354-L401 CarbonylContact O-C 3.55Å; I354-L401 VanDerWaalsContact O-CA 3.27Å; I354-L401 WeakPolarHBondContact O-CA 3.22Å; I354-G402 PolarHBondContact O-N 3.26Å; I354-K514 WeakPolarHBondContact CA-O 3.24Å; I354-F516 HydrophobicContact CG2-CD2 3.47Å; I354-F516 VanDerWaalsContact CG2-CD2 3.47Å; I354-F516 HydrophobicContact CG2-CE2 3.56Å; I354-L619 HydrophobicContact CD1-CD2 3.64Å; I354-L619 HydrophobicContact CG2-CD2 4.42Å; I354-L622 HydrophobicContact CD1-CD2 4.39Å
355	I	98.7	Very high	95.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.3	-179.4	-58.1	171.3	0	0	0	108.6	L357 G402 I404 F460 L461 G502 A505 L506 K514 L515 F516	I355-L357 HydrophobicContact CB-CD1 4.41Å; I355-L357 HydrophobicContact CG2-CD1 3.88Å; I355-L357 HydrophobicContact CG2-CG 4.38Å; I355-G402 CarbonylContact C-O 3.52Å; I355-G402 WeakPolarHBondContact CA-O 3.44Å; I355-I404 HydrophobicContact CG2-CD1 4.03Å; I355-I404 HydrophobicContact CG2-CG1 4.16Å; I355-F460 HydrophobicContact CD1-CE1 3.88Å; I355-F460 HydrophobicContact CD1-CZ 4.31Å; I355-F460 HydrophobicContact CG1-CE1 4.28Å; I355-F460 HydrophobicContact CG1-CZ 4.45Å; I355-F460 HydrophobicContact CG2-CZ 4.06Å; I355-L461 HydrophobicContact CD1-CD2 4.24Å; I355-L461 HydrophobicContact CG1-CD2 4.02Å; I355-G502 WeakPolarHBondContact CD1-O 3.34Å; I355-A505 HydrophobicContact CD1-CB 4Å; I355-L506 HydrophobicContact CD1-CD2 4.01Å; I355-L506 HydrophobicContact CD1-CG 3.85Å; I355-K514 PolarHBondContact N-O 2.94Å; I355-L515 HydrophobicContact CB-CD2 3.75Å; I355-L515 HydrophobicContact CD1-CD2 3.99Å; I355-L515 HydrophobicContact CG1-CD2 4.29Å; I355-L515 HydrophobicContact CG2-CD2 4.4Å; I355-L515 CarbonylContact O-C 3.55Å; I355-L515 WeakPolarHBondContact O-CA 3.08Å; I355-F516 PolarHBondContact O-N 2.66Å
356	F	98.8	Very high	95.2	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.4	174.2	-64.1	-88.8	0	0	0	109.3	I354 F373 F377 I381 L401 G402 F403 I404 F516 L615 L619	I354-F356 HydrophobicContact CG2-CD2 4.39Å; I354-F356 HydrophobicContact CG2-CE2 3.71Å; I354-F356 HydrophobicContact CG2-CZ 3.8Å; F356-F373 HydrophobicContact CB-CZ 3.91Å; F356-F373 AromaticContact CD1-CE2 3.88Å; F356-F373 HydrophobicContact CD1-CE2 3.88Å; F356-F373 AromaticContact CD1-CZ 3.71Å; F356-F373 HydrophobicContact CD1-CZ 3.71Å; F356-F373 HydrophobicContact CE1-CE2 4.41Å; F356-F373 HydrophobicContact CE1-CZ 4.48Å; F356-F373 HydrophobicContact CG-CE2 4.49Å; F356-F373 AromaticContact CG-CZ 3.87Å; F356-F373 HydrophobicContact CG-CZ 3.87Å; F356-F377 HydrophobicContact CD1-CE2 4.1Å; F356-F377 AromaticContact CD2-CE2 3.84Å; F356-F377 HydrophobicContact CD2-CE2 3.84Å; F356-F377 AromaticContact CD2-CZ 3.97Å; F356-F377 HydrophobicContact CD2-CZ 3.97Å; F356-F377 AromaticContact CE1-CE2 3.81Å; F356-F377 HydrophobicContact CE1-CE2 3.81Å; F356-F377 AromaticContact CE2-CE2 3.53Å; F356-F377 HydrophobicContact CE2-CE2 3.53Å; F356-F377 AromaticContact CE2-CZ 3.46Å; F356-F377 HydrophobicContact CE2-CZ 3.46Å; F356-F377 VanDerWaalsContact CE2-CZ 3.46Å; F356-F377 HydrophobicContact CG-CE2 4.12Å; F356-F377 AromaticContact CZ-CE2 3.52Å; F356-F377 HydrophobicContact CZ-CE2 3.52Å; F356-F377 AromaticContact CZ-CZ 3.78Å; F356-F377 HydrophobicContact CZ-CZ 3.78Å; F356-I381 HydrophobicContact CE1-CG2 4.47Å; F356-I381 HydrophobicContact CZ-CG2 4.32Å; F356-L401 HydrophobicContact CE2-CD2 4.29Å; F356-G402 PolarHBondContact N-O 3.31Å; F356-F403 HydrophobicContact CB-CD1 4.05Å; F356-F403 HydrophobicContact CB-CE1 4.37Å; F356-F403 HydrophobicContact CD2-CD1 4.26Å; F356-F403 AromaticContact CD2-CE1 3.84Å; F356-F403 HydrophobicContact CD2-CE1 3.84Å; F356-F403 HydrophobicContact CD2-CZ 4.41Å; F356-F403 HydrophobicContact CG-CE1 4.34Å; F356-I404 PolarHBondContact O-N 3.46Å; F356-F516 HydrophobicContact CD1-CB 3.56Å; F356-F516 HydrophobicContact CD1-CG 4.14Å; F356-F516 HydrophobicContact CE1-CB 3.8Å; F356-F516 HydrophobicContact CE1-CD1 4.41Å; F356-F516 HydrophobicContact CE1-CD2 4.1Å; F356-F516 AromaticContact CE1-CG 3.84Å; F356-F516 HydrophobicContact CE1-CG 3.84Å; F356-F516 HydrophobicContact CG-CB 4.4Å; F356-F516 HydrophobicContact CZ-CD2 4.42Å; F356-L615 HydrophobicContact CE1-CD1 4.3Å; F356-L619 HydrophobicContact CZ-CD1 4.49Å
357	L	98.8	Very high	95.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	111.3	176.6	-63.5	89.7	0	0	0	108.4	I355 I404 Y406 A498 L515 F516 V517 I518	I355-L357 HydrophobicContact CB-CD1 4.41Å; I355-L357 HydrophobicContact CG2-CD1 3.88Å; I355-L357 HydrophobicContact CG2-CG 4.38Å; L357-I404 CarbonylContact C-O 3.5Å; L357-I404 VanDerWaalsContact CA-O 3.29Å; L357-I404 WeakPolarHBondContact CA-O 3.23Å; L357-I404 HydrophobicContact CG-CB 4.32Å; L357-Y406 HydrophobicContact CB-CD1 4.3Å; L357-Y406 HydrophobicContact CB-CE1 3.93Å; L357-A498 VanDerWaalsContact CD2-C 3.41Å; L357-A498 HydrophobicContact CD2-CB 4.09Å; L357-A498 WeakPolarHBondContact CD2-O 3.37Å; L357-L515 HydrophobicContact CD1-CB 3.71Å; L357-L515 HydrophobicContact CD1-CD1 4.21Å; L357-L515 HydrophobicContact CD1-CD2 4.06Å; L357-L515 HydrophobicContact CD1-CG 4.18Å; L357-F516 PolarHBondContact N-O 3.44Å; L357-V517 HydrophobicContact CB-CG1 4.48Å; L357-V517 HydrophobicContact CB-CG2 4.35Å; L357-V517 HydrophobicContact CD1-CG2 4.13Å; L357-I518 PolarHBondContact O-N 2.76Å
358	L	98.2	Very high	95.5	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.8	-173.8	-178.7	62.8	0	0	0	111.1	V360 V370 F373 I404 T405 Y406 I476 I518	L358-V360 HydrophobicContact CG-CG1 4.34Å; L358-V360 PolarHBondContact O-N 2.77Å; L358-V370 HydrophobicContact CD1-CG2 4.41Å; L358-V370 HydrophobicContact CD2-CB 4.46Å; L358-V370 HydrophobicContact CD2-CG1 4.01Å; L358-V370 HydrophobicContact CD2-CG2 4.39Å; L358-V370 HydrophobicContact CG-CG2 4.37Å; L358-F373 HydrophobicContact CD2-CD1 3.86Å; L358-F373 HydrophobicContact CD2-CE1 4.41Å; L358-I404 PolarHBondContact N-O 3.02Å; L358-T405 HydrophobicContact CB-CG2 4.13Å; L358-T405 HydrophobicContact CD2-CG2 4.42Å; L358-T405 CarbonylContact O-C 3.55Å; L358-T405 VanDerWaalsContact O-CA 3.24Å; L358-T405 WeakPolarHBondContact O-CA 3.31Å; L358-Y406 PolarHBondContact O-N 2.87Å; L358-I476 HydrophobicContact CD2-CG2 4.36Å; L358-I518 HydrophobicContact CD1-CB 3.89Å; L358-I518 HydrophobicContact CD1-CD1 3.96Å; L358-I518 HydrophobicContact CD1-CG2 3.58Å
359	D	96.6	Very high	95.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	120.6	167.9	-176.6	-14	0	0	0	109.3	S361 A364 Y406 I518 H519 A520	D359-S361 WeakPolarHBondContact OD1-CA 3.48Å; D359-S361 WeakPolarHBondContact OD1-CB 3.36Å; D359-S361 PolarHBondContact OD1-N 2.92Å; D359-S361 PolarHBondContact OD1-OG 2.89Å; D359-S361 PolarHBondContact OD2-OG 2.87Å; D359-A364 HydrophobicContact CB-CB 4.43Å; D359-A364 WeakPolarHBondContact O-CB 3.38Å; D359-Y406 WeakPolarHBondContact CA-O 3.26Å; D359-Y406 HydrophobicContact CB-CE1 4.29Å; D359-Y406 HydrophobicContact CB-CE2 4.23Å; D359-I518 WeakPolarHBondContact CB-O 3.45Å; D359-I518 PolarHBondContact N-O 3.02Å; D359-H519 IonicContact OD2-CE1 2.73Å; D359-H519 IonicContact OD2-ND1 3.89Å; D359-H519 PolarHBondContact OD2-ND1 2.99Å; D359-A520 PolarHBondContact OD2-N 2.84Å
360	V	95.8	Very high	95.7	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.03	9%	0.094	C	C	.	.			trans	-112.3	25.6	176.6	-66.1	0	0	0	0	111.7	L358 I365 V370 T405 Y406 D407 I476 F480	L358-V360 HydrophobicContact CG-CG1 4.34Å; L358-V360 PolarHBondContact O-N 2.77Å; V360-I365 WeakPolarHBondContact O-CD1 3.42Å; V360-V370 HydrophobicContact CG1-CG1 4.31Å; V360-V370 HydrophobicContact CG1-CG2 4.18Å; V360-T405 HydrophobicContact CG1-CG2 3.82Å; V360-Y406 WeakPolarHBondContact CG2-O 3.43Å; V360-Y406 PolarHBondContact N-O 2.76Å; V360-D407 HydrophobicContact CG2-CB 4.3Å; V360-I476 HydrophobicContact CG1-CG2 4.28Å; V360-F480 HydrophobicContact CB-CB 4.31Å; V360-F480 HydrophobicContact CB-CD1 4.13Å; V360-F480 HydrophobicContact CB-CD2 4.4Å; V360-F480 HydrophobicContact CB-CG 4.02Å; V360-F480 HydrophobicContact CG1-CD2 4.25Å; V360-F480 HydrophobicContact CG1-CG 4.3Å; V360-F480 HydrophobicContact CG2-CD1 3.84Å; V360-F480 HydrophobicContact CG2-CD2 4.39Å; V360-F480 HydrophobicContact CG2-CE1 3.85Å; V360-F480 HydrophobicContact CG2-CE2 4.44Å; V360-F480 HydrophobicContact CG2-CG 4.12Å; V360-F480 HydrophobicContact CG2-CZ 4.17Å
361	S	91.9	Very high	95.7	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.014	10%	0.098	C	C	.	.	S	Bend	trans	-62.1	160.5	167.5	66.7	0	0	0	0	111.6	D359 S363 A364 I365 N521	D359-S361 WeakPolarHBondContact OD1-CA 3.48Å; D359-S361 WeakPolarHBondContact OD1-CB 3.36Å; D359-S361 PolarHBondContact OD1-N 2.92Å; D359-S361 PolarHBondContact OD1-OG 2.89Å; D359-S361 PolarHBondContact OD2-OG 2.87Å; S361-S363 PolarHBondContact O-N 3.02Å; S361-S363 VanDerWaalsContact O-N 3.12Å; S361-A364 PolarHBondContact O-N 3.5Å; S361-I365 WeakPolarHBondContact O-CG1 3.41Å; S361-I365 PolarHBondContact O-N 2.86Å; S361-N521 PolarHBondContact OG-ND2 2.93Å
362	Q	90.5	Very high	95.8	Very high	20 Å²	20	19.4 Å²	19.4	9%	0.093	10%	0.096	C	C	.	.	H	α-helix	trans	-54.8	-35.3	-179.6	-69.3	-66.5	-2.8	0	0	113.5	I365 R366 A485 R488 P490	Q362-I365 PolarHBondContact O-N 3.42Å; Q362-R366 VanDerWaalsContact O-CB 3.26Å; Q362-R366 WeakPolarHBondContact O-CB 3.43Å; Q362-R366 WeakPolarHBondContact O-CG 3.4Å; Q362-R366 PolarHBondContact O-N 2.93Å; Q362-A485 PolarHBondContact NE2-O 2.82Å; Q362-R488 PolarHBondContact NE2-O 3.27Å; Q362-P490 HydrophobicContact CG-CB 4.33Å
363	S	90.3	Very high	95.9	Very high	26 Å²	26	19.5 Å²	19.5	18%	0.182	10%	0.096	C	C	.	.	H	α-helix	trans	-64	-46.5	178.3	-166.6	0	0	0	0	111.3	S361 S367 N521 N577	S361-S363 PolarHBondContact O-N 3.02Å; S361-S363 VanDerWaalsContact O-N 3.12Å; S363-S367 WeakPolarHBondContact O-CB 3.3Å; S363-S367 PolarHBondContact O-N 2.85Å; S363-S367 VanDerWaalsContact O-N 3.14Å; S363-S367 PolarHBondContact O-OG 3.19Å; S363-N521 WeakPolarHBondContact CB-ND2 3.46Å; S363-N521 VanDerWaalsContact CB-OD1 3.31Å; S363-N521 WeakPolarHBondContact CB-OD1 3.45Å; S363-N521 PolarHBondContact OG-OD1 2.66Å; S363-N577 PolarHBondContact OG-ND2 2.85Å; S363-N577 VanDerWaalsContact OG-ND2 3.11Å
364	A	93.6	Very high	95.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.8	-35.8	178.5	0	0	0	0	0	112.6	D359 S361 S367 L369 V370 A520	D359-A364 HydrophobicContact CB-CB 4.43Å; D359-A364 WeakPolarHBondContact O-CB 3.38Å; S361-A364 PolarHBondContact O-N 3.5Å; A364-S367 PolarHBondContact O-OG 3.18Å; A364-L369 HydrophobicContact CB-CD2 4.45Å; A364-L369 WeakPolarHBondContact O-CB 3.45Å; A364-L369 PolarHBondContact O-N 3.43Å; A364-V370 HydrophobicContact CB-CG2 4.17Å; A364-A520 HydrophobicContact CB-CB 4.14Å
365	I	94	Very high	95.8	Very high	19 Å²	19	23.1 Å²	23.1	10%	0.097	12%	0.122	C	C	.	.	H	α-helix	trans	-69	-49.8	175.8	-64.4	160.9	0	0	0	110.5	V360 S361 Q362 S367 G368 V370 F480 C481 L486	V360-I365 WeakPolarHBondContact O-CD1 3.42Å; S361-I365 WeakPolarHBondContact O-CG1 3.41Å; S361-I365 PolarHBondContact O-N 2.86Å; Q362-I365 PolarHBondContact O-N 3.42Å; I365-S367 VanDerWaalsContact C-N 3.29Å; I365-S367 PolarHBondContact O-N 2.87Å; I365-G368 PolarHBondContact O-N 2.79Å; I365-V370 HydrophobicContact CG1-CG2 4.14Å; I365-F480 HydrophobicContact CD1-CB 4.08Å; I365-F480 WeakPolarHBondContact CD1-O 3.36Å; I365-C481 HydrophobicContact CG2-CB 4.19Å; I365-L486 HydrophobicContact CG2-CD2 3.83Å; I365-L486 HydrophobicContact CG2-CG 4.17Å
366	R	92	Very high	95.8	Very high	167 Å²	167	25.1 Å²	25.1	63%	0.63	13%	0.131	S	C	*	.	H	α-helix	trans	-66.4	-27.8	-175.2	-73.2	175.7	-176.8	-171.6	0.1	113.6	Q362 G368 L486	Q362-R366 VanDerWaalsContact O-CB 3.26Å; Q362-R366 WeakPolarHBondContact O-CB 3.43Å; Q362-R366 WeakPolarHBondContact O-CG 3.4Å; Q362-R366 PolarHBondContact O-N 2.93Å; R366-G368 PolarHBondContact O-N 2.83Å; R366-L486 HydrophobicContact CG-CD2 3.68Å; R366-L486 PolarHBondContact NH2-O 3.41Å
367	S	94	Very high	95.8	Very high	21 Å²	21	25 Å²	25	15%	0.147	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-9	174.7	68.9	0	0	0	0	113.6	S363 A364 I365 L369 F602 A604	S363-S367 WeakPolarHBondContact O-CB 3.3Å; S363-S367 PolarHBondContact O-N 2.85Å; S363-S367 VanDerWaalsContact O-N 3.14Å; S363-S367 PolarHBondContact O-OG 3.19Å; A364-S367 PolarHBondContact O-OG 3.18Å; I365-S367 VanDerWaalsContact C-N 3.29Å; I365-S367 PolarHBondContact O-N 2.87Å; S367-L369 VanDerWaalsContact C-N 3.26Å; S367-L369 PolarHBondContact O-N 2.99Å; S367-L369 WeakPolarHBondContact OG-CB 3.47Å; S367-L369 PolarHBondContact OG-N 3.46Å; S367-F602 WeakPolarHBondContact CB-O 3.41Å; S367-A604 WeakPolarHBondContact O-CB 3.27Å; S367-A604 PolarHBondContact O-N 2.84Å; S367-A604 VanDerWaalsContact O-N 3.07Å
368	G	95.9	Very high	95.7	Very high	20 Å²	20	26.8 Å²	26.8	21%	0.206	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	2.3	-174.8	0	0	0	0	0	114	I365 R366 V370 Q371 L372	I365-G368 PolarHBondContact O-N 2.79Å; R366-G368 PolarHBondContact O-N 2.83Å; G368-V370 PolarHBondContact O-N 3.28Å; G368-Q371 PolarHBondContact O-N 2.68Å; G368-L372 VanDerWaalsContact O-CB 3.26Å; G368-L372 WeakPolarHBondContact O-CB 2.94Å; G368-L372 PolarHBondContact O-N 2.91Å
369	L	97.1	Very high	95.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-48	-176	175.6	61.7	0	0	0	112.7	A364 S367 L372 F373 I518 F575 F602 F611	A364-L369 HydrophobicContact CB-CD2 4.45Å; A364-L369 WeakPolarHBondContact O-CB 3.45Å; A364-L369 PolarHBondContact O-N 3.43Å; S367-L369 VanDerWaalsContact C-N 3.26Å; S367-L369 PolarHBondContact O-N 2.99Å; S367-L369 WeakPolarHBondContact OG-CB 3.47Å; S367-L369 PolarHBondContact OG-N 3.46Å; L369-L372 PolarHBondContact O-N 2.93Å; L369-F373 WeakPolarHBondContact O-CB 3.36Å; L369-F373 PolarHBondContact O-N 2.97Å; L369-I518 HydrophobicContact CD1-CG2 4.22Å; L369-I518 HydrophobicContact CD2-CG2 3.6Å; L369-I518 HydrophobicContact CG-CG2 4.03Å; L369-F575 HydrophobicContact CD1-CD1 4.1Å; L369-F575 HydrophobicContact CD1-CE1 3.54Å; L369-F575 HydrophobicContact CD1-CE2 4.1Å; L369-F575 HydrophobicContact CD1-CZ 3.54Å; L369-F575 HydrophobicContact CD2-CB 4.21Å; L369-F575 HydrophobicContact CD2-CD1 3.86Å; L369-F575 HydrophobicContact CD2-CD2 3.45Å; L369-F575 VanDerWaalsContact CD2-CD2 3.45Å; L369-F575 HydrophobicContact CD2-CE1 4.06Å; L369-F575 HydrophobicContact CD2-CE2 3.71Å; L369-F575 HydrophobicContact CD2-CG 3.55Å; L369-F575 HydrophobicContact CD2-CZ 3.98Å; L369-F575 HydrophobicContact CG-CE1 4.42Å; L369-F575 HydrophobicContact CG-CZ 4.41Å; L369-F602 HydrophobicContact CB-CD1 4.24Å; L369-F602 HydrophobicContact CB-CE1 3.91Å; L369-F602 HydrophobicContact CD1-CE1 4Å; L369-F602 HydrophobicContact CD1-CZ 4.19Å; L369-F611 HydrophobicContact CD1-CD1 3.93Å; L369-F611 HydrophobicContact CD1-CE1 3.7Å; L369-F611 HydrophobicContact CD1-CZ 4.18Å
370	V	97.2	Very high	95.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-48.4	-179.3	175.2	0	0	0	0	110.8	L358 V360 A364 I365 G368 F373 C374 I476	L358-V370 HydrophobicContact CD1-CG2 4.41Å; L358-V370 HydrophobicContact CD2-CB 4.46Å; L358-V370 HydrophobicContact CD2-CG1 4.01Å; L358-V370 HydrophobicContact CD2-CG2 4.39Å; L358-V370 HydrophobicContact CG-CG2 4.37Å; V360-V370 HydrophobicContact CG1-CG1 4.31Å; V360-V370 HydrophobicContact CG1-CG2 4.18Å; A364-V370 HydrophobicContact CB-CG2 4.17Å; I365-V370 HydrophobicContact CG1-CG2 4.14Å; G368-V370 PolarHBondContact O-N 3.28Å; V370-F373 PolarHBondContact O-N 3.45Å; V370-C374 PolarHBondContact O-N 3.14Å; V370-C374 VanDerWaalsContact O-N 3.07Å; V370-C374 PolarHBondContact O-SG 2.69Å; V370-I476 HydrophobicContact CG1-CG2 3.85Å
371	Q	96.8	Very high	95.8	Very high	95 Å²	95	36.7 Å²	36.7	44%	0.444	18%	0.183	S	C	.	.	H	α-helix	trans	-63	-44.2	178.6	-179.1	62.7	34.9	0	0	111.6	G368 S375	G368-Q371 PolarHBondContact O-N 2.68Å; Q371-S375 VanDerWaalsContact O-CB 3.27Å; Q371-S375 WeakPolarHBondContact O-CB 3.38Å; Q371-S375 PolarHBondContact O-N 3.44Å; Q371-S375 PolarHBondContact O-OG 3.36Å
372	L	98.1	Very high	96.1	Very high	28 Å²	28	37.4 Å²	37.4	15%	0.147	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-50.7	178.2	177.7	71.1	0	0	0	111.1	G368 L369 S375 Q376 F602 A604 F611 L612	G368-L372 VanDerWaalsContact O-CB 3.26Å; G368-L372 WeakPolarHBondContact O-CB 2.94Å; G368-L372 PolarHBondContact O-N 2.91Å; L369-L372 PolarHBondContact O-N 2.93Å; L372-S375 PolarHBondContact O-OG 3.34Å; L372-Q376 HydrophobicContact CD1-CG 4.05Å; L372-Q376 WeakPolarHBondContact O-CB 3.46Å; L372-Q376 PolarHBondContact O-N 3.38Å; L372-Q376 VanDerWaalsContact O-N 3.08Å; L372-F602 HydrophobicContact CD2-CZ 3.96Å; L372-A604 HydrophobicContact CB-CB 4.22Å; L372-A604 HydrophobicContact CD2-CB 4.18Å; L372-F611 HydrophobicContact CD2-CD1 4.12Å; L372-L612 HydrophobicContact CD1-CD1 3.95Å; L372-L612 HydrophobicContact CD2-CD1 4.44Å; L372-L612 HydrophobicContact CD2-CG 4.47Å; L372-L612 HydrophobicContact CG-CD1 4.2Å
373	F	98.3	Very high	96.3	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	21%	0.209	C	C	.	.	H	α-helix	trans	-56.7	-54.1	179.5	175.7	-93.7	0	0	0	110.9	F356 L358 L369 V370 S375 Q376 F377 L473 I518 F611 L615	F356-F373 HydrophobicContact CB-CZ 3.91Å; F356-F373 AromaticContact CD1-CE2 3.88Å; F356-F373 HydrophobicContact CD1-CE2 3.88Å; F356-F373 AromaticContact CD1-CZ 3.71Å; F356-F373 HydrophobicContact CD1-CZ 3.71Å; F356-F373 HydrophobicContact CE1-CE2 4.41Å; F356-F373 HydrophobicContact CE1-CZ 4.48Å; F356-F373 HydrophobicContact CG-CE2 4.49Å; F356-F373 AromaticContact CG-CZ 3.87Å; F356-F373 HydrophobicContact CG-CZ 3.87Å; L358-F373 HydrophobicContact CD2-CD1 3.86Å; L358-F373 HydrophobicContact CD2-CE1 4.41Å; L369-F373 WeakPolarHBondContact O-CB 3.36Å; L369-F373 PolarHBondContact O-N 2.97Å; V370-F373 PolarHBondContact O-N 3.45Å; F373-S375 PolarHBondContact O-N 2.91Å; F373-Q376 PolarHBondContact O-N 2.97Å; F373-F377 HydrophobicContact CE1-CD2 4.03Å; F373-F377 AromaticContact CE2-CD2 3.77Å; F373-F377 HydrophobicContact CE2-CD2 3.77Å; F373-F377 HydrophobicContact CE2-CE2 4.15Å; F373-F377 AromaticContact CZ-CD2 3.46Å; F373-F377 HydrophobicContact CZ-CD2 3.46Å; F373-F377 VanDerWaalsContact CZ-CD2 3.46Å; F373-F377 AromaticContact CZ-CE2 3.73Å; F373-F377 HydrophobicContact CZ-CE2 3.73Å; F373-F377 WeakPolarHBondContact O-CB 3.4Å; F373-F377 PolarHBondContact O-N 3.11Å; F373-L473 HydrophobicContact CE1-CD2 4.15Å; F373-I518 HydrophobicContact CD2-CD1 3.51Å; F373-I518 HydrophobicContact CE2-CD1 3.55Å; F373-I518 HydrophobicContact CG-CD1 4.16Å; F373-I518 HydrophobicContact CZ-CD1 4.23Å; F373-F611 HydrophobicContact CB-CE1 4.49Å; F373-F611 HydrophobicContact CD2-CE1 4.4Å; F373-F611 HydrophobicContact CD2-CZ 4.17Å; F373-L615 HydrophobicContact CD2-CD2 4.17Å; F373-L615 HydrophobicContact CE2-CD2 3.91Å
374	C	98.4	Very high	96.5	Very high	11 Å²	11	41.6 Å²	41.6	7%	0.074	21%	0.213	C	C	.	.	H	α-helix	trans	-63.5	-43.9	-175.6	-61.9	0	0	0	0	112.2	V370 Q376 L473 P477	V370-C374 PolarHBondContact O-N 3.14Å; V370-C374 VanDerWaalsContact O-N 3.07Å; V370-C374 PolarHBondContact O-SG 2.69Å; C374-Q376 PolarHBondContact O-N 3.18Å; C374-L473 HydrophobicContact CB-CB 4.18Å; C374-L473 WeakPolarHBondContact CB-O 3.46Å; C374-P477 HydrophobicContact CB-CG 3.88Å
375	S	97.5	Very high	96.6	Very high	65 Å²	65	42 Å²	42	46%	0.455	22%	0.215	S	C	.	.	H	α-helix	trans	-75.5	-19.4	-176.6	62.9	0	0	0	0	114.8	Q371 L372 F373	Q371-S375 VanDerWaalsContact O-CB 3.27Å; Q371-S375 WeakPolarHBondContact O-CB 3.38Å; Q371-S375 PolarHBondContact O-N 3.44Å; Q371-S375 PolarHBondContact O-OG 3.36Å; L372-S375 PolarHBondContact O-OG 3.34Å; F373-S375 PolarHBondContact O-N 2.91Å
376	Q	97.9	Very high	96.6	Very high	42 Å²	42	41.5 Å²	41.5	20%	0.196	21%	0.213	C	C	.	.	H	α-helix	trans	-109.7	-9.1	-178.4	-66.7	-68.5	-76.3	0	0	113.4	L372 F373 C374 V378 E379 R380 L612	L372-Q376 HydrophobicContact CD1-CG 4.05Å; L372-Q376 WeakPolarHBondContact O-CB 3.46Å; L372-Q376 PolarHBondContact O-N 3.38Å; L372-Q376 VanDerWaalsContact O-N 3.08Å; F373-Q376 PolarHBondContact O-N 2.97Å; C374-Q376 PolarHBondContact O-N 3.18Å; Q376-V378 PolarHBondContact O-N 3.48Å; Q376-E379 PolarHBondContact O-N 2.96Å; Q376-R380 HydrophobicContact CB-CG 4.47Å; Q376-R380 VanDerWaalsContact O-CB 3.3Å; Q376-R380 WeakPolarHBondContact O-CB 3.39Å; Q376-R380 PolarHBondContact O-N 2.9Å; Q376-R380 VanDerWaalsContact OE1-NE 3.1Å; Q376-L612 HydrophobicContact CB-CD1 3.84Å; Q376-L612 HydrophobicContact CB-CD2 4.15Å; Q376-L612 HydrophobicContact CG-CD1 3.96Å
377	F	98.5	Very high	96.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	I	π-helix	trans	-56.4	-50.3	-174.7	-172.3	-87.8	0	0	0	113.2	F356 F373 I381 L382 L401 F403 I469 L473	F356-F377 HydrophobicContact CD1-CE2 4.1Å; F356-F377 AromaticContact CD2-CE2 3.84Å; F356-F377 HydrophobicContact CD2-CE2 3.84Å; F356-F377 AromaticContact CD2-CZ 3.97Å; F356-F377 HydrophobicContact CD2-CZ 3.97Å; F356-F377 AromaticContact CE1-CE2 3.81Å; F356-F377 HydrophobicContact CE1-CE2 3.81Å; F356-F377 AromaticContact CE2-CE2 3.53Å; F356-F377 HydrophobicContact CE2-CE2 3.53Å; F356-F377 AromaticContact CE2-CZ 3.46Å; F356-F377 HydrophobicContact CE2-CZ 3.46Å; F356-F377 VanDerWaalsContact CE2-CZ 3.46Å; F356-F377 HydrophobicContact CG-CE2 4.12Å; F356-F377 AromaticContact CZ-CE2 3.52Å; F356-F377 HydrophobicContact CZ-CE2 3.52Å; F356-F377 AromaticContact CZ-CZ 3.78Å; F356-F377 HydrophobicContact CZ-CZ 3.78Å; F373-F377 HydrophobicContact CE1-CD2 4.03Å; F373-F377 AromaticContact CE2-CD2 3.77Å; F373-F377 HydrophobicContact CE2-CD2 3.77Å; F373-F377 HydrophobicContact CE2-CE2 4.15Å; F373-F377 AromaticContact CZ-CD2 3.46Å; F373-F377 HydrophobicContact CZ-CD2 3.46Å; F373-F377 VanDerWaalsContact CZ-CD2 3.46Å; F373-F377 AromaticContact CZ-CE2 3.73Å; F373-F377 HydrophobicContact CZ-CE2 3.73Å; F373-F377 WeakPolarHBondContact O-CB 3.4Å; F373-F377 PolarHBondContact O-N 3.11Å; F377-I381 HydrophobicContact CD2-CB 3.85Å; F377-I381 HydrophobicContact CD2-CG1 4.2Å; F377-I381 HydrophobicContact CD2-CG2 3.94Å; F377-I381 HydrophobicContact CE2-CB 4.1Å; F377-I381 HydrophobicContact CE2-CG2 3.7Å; F377-I381 HydrophobicContact CG-CB 4.16Å; F377-I381 HydrophobicContact CZ-CG2 4.2Å; F377-I381 CarbonylContact O-C 3.5Å; F377-I381 WeakPolarHBondContact O-CA 3.28Å; F377-I381 VanDerWaalsContact O-CB 3.32Å; F377-I381 WeakPolarHBondContact O-CB 3.35Å; F377-I381 PolarHBondContact O-N 2.96Å; F377-L382 HydrophobicContact CD1-CB 4.31Å; F377-L382 HydrophobicContact CE1-CB 4.15Å; F377-L382 HydrophobicContact CE1-CD1 4.23Å; F377-L382 PolarHBondContact O-N 2.94Å; F377-L401 HydrophobicContact CE1-CD1 4.28Å; F377-L401 HydrophobicContact CZ-CD1 4.27Å; F377-F403 HydrophobicContact CD2-CE1 4.47Å; F377-F403 HydrophobicContact CE1-CE1 4.17Å; F377-F403 AromaticContact CE1-CZ 3.86Å; F377-F403 HydrophobicContact CE1-CZ 3.86Å; F377-F403 AromaticContact CE2-CE1 3.98Å; F377-F403 HydrophobicContact CE2-CE1 3.98Å; F377-F403 HydrophobicContact CE2-CZ 4.42Å; F377-F403 AromaticContact CZ-CE1 3.81Å; F377-F403 HydrophobicContact CZ-CE1 3.81Å; F377-F403 AromaticContact CZ-CZ 3.8Å; F377-F403 HydrophobicContact CZ-CZ 3.8Å; F377-I469 HydrophobicContact CD1-CG2 3.69Å; F377-I469 HydrophobicContact CE1-CG2 3.77Å; F377-L473 HydrophobicContact CB-CD1 3.32Å; F377-L473 HydrophobicContact CD1-CD1 3.6Å; F377-L473 HydrophobicContact CD2-CD1 4.38Å; F377-L473 HydrophobicContact CG-CD1 3.52Å
378	V	98.1	Very high	96.3	Very high	37 Å²	37	39.6 Å²	39.6	22%	0.224	20%	0.204	C	C	.	.	I	π-helix	trans	-69.7	-37.9	-174.3	173.7	0	0	0	0	112	Q376 L382 P383 P466 I469 S470	Q376-V378 PolarHBondContact O-N 3.48Å; V378-L382 HydrophobicContact CG1-CD2 4.26Å; V378-L382 HydrophobicContact CG2-CD2 4.47Å; V378-P383 WeakPolarHBondContact O-CD 3.5Å; V378-P466 HydrophobicContact CG1-CB 3.83Å; V378-I469 HydrophobicContact CG2-CB 4.43Å; V378-I469 HydrophobicContact CG2-CG2 3.86Å; V378-S470 WeakPolarHBondContact CG2-OG 3.33Å
379	E	97.2	Very high	95.5	Very high	130 Å²	130	44.7 Å²	44.7	61%	0.607	22%	0.22	S	C	*	.	I	π-helix	trans	-76	-40.3	179.5	-172	-172.1	164.6	0	0	112	Q376 P383	Q376-E379 PolarHBondContact O-N 2.96Å; E379-P383 WeakPolarHBondContact O-CG 3.4Å
380	R	96.9	Very high	94.5	Very high	85 Å²	85	52 Å²	52	32%	0.321	25%	0.252	S	S	.	.	I	π-helix	trans	-109.2	-34.5	-168.1	-64	-146.8	-178.3	-132.8	-6.1	114.1	Q376 N384 Q616	Q376-R380 HydrophobicContact CB-CG 4.47Å; Q376-R380 VanDerWaalsContact O-CB 3.3Å; Q376-R380 WeakPolarHBondContact O-CB 3.39Å; Q376-R380 PolarHBondContact O-N 2.9Å; Q376-R380 VanDerWaalsContact OE1-NE 3.1Å; R380-N384 PolarHBondContact O-ND2 3.35Å; R380-Q616 VanDerWaalsContact O-CG 3.23Å; R380-Q616 WeakPolarHBondContact O-CG 3.29Å; R380-Q616 PolarHBondContact O-NE2 2.94Å
381	I	97.8	Very high	93.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.271	C	S	.	.	I	π-helix	trans	-98.6	-49.7	-171.5	-53.2	-51.4	0	0	0	111.2	F356 F377 P383 N384 L612 L615 Q616 L619	F356-I381 HydrophobicContact CE1-CG2 4.47Å; F356-I381 HydrophobicContact CZ-CG2 4.32Å; F377-I381 HydrophobicContact CD2-CB 3.85Å; F377-I381 HydrophobicContact CD2-CG1 4.2Å; F377-I381 HydrophobicContact CD2-CG2 3.94Å; F377-I381 HydrophobicContact CE2-CB 4.1Å; F377-I381 HydrophobicContact CE2-CG2 3.7Å; F377-I381 HydrophobicContact CG-CB 4.16Å; F377-I381 HydrophobicContact CZ-CG2 4.2Å; F377-I381 CarbonylContact O-C 3.5Å; F377-I381 WeakPolarHBondContact O-CA 3.28Å; F377-I381 VanDerWaalsContact O-CB 3.32Å; F377-I381 WeakPolarHBondContact O-CB 3.35Å; F377-I381 PolarHBondContact O-N 2.96Å; I381-P383 VanDerWaalsContact C-CD 3.43Å; I381-N384 WeakPolarHBondContact O-CB 3.45Å; I381-N384 PolarHBondContact O-N 3.43Å; I381-L612 HydrophobicContact CD1-CD2 4.03Å; I381-L612 HydrophobicContact CG1-CD2 4.39Å; I381-L615 HydrophobicContact CD1-CB 4.09Å; I381-L615 HydrophobicContact CD1-CD2 3.71Å; I381-L615 HydrophobicContact CD1-CG 3.92Å; I381-L615 HydrophobicContact CG1-CD2 3.88Å; I381-L615 HydrophobicContact CG1-CG 4.47Å; I381-L615 HydrophobicContact CG2-CD2 4.12Å; I381-L615 HydrophobicContact CG2-CG 4.25Å; I381-Q616 HydrophobicContact CD1-CG 3.74Å; I381-L619 HydrophobicContact CG2-CD1 3.39Å
382	L	97	Very high	92.7	Very high	17 Å²	17	52.5 Å²	52.5	9%	0.089	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-54.9	-39.2	-177.4	-172.2	62.6	0	0	0	114.4	F377 V378 N384 L385 L401 P464 P466 I469	F377-L382 HydrophobicContact CD1-CB 4.31Å; F377-L382 HydrophobicContact CE1-CB 4.15Å; F377-L382 HydrophobicContact CE1-CD1 4.23Å; F377-L382 PolarHBondContact O-N 2.94Å; V378-L382 HydrophobicContact CG1-CD2 4.26Å; V378-L382 HydrophobicContact CG2-CD2 4.47Å; L382-N384 PolarHBondContact O-N 3.34Å; L382-L385 HydrophobicContact CD1-CD1 3.77Å; L382-L385 HydrophobicContact CD1-CG 4.39Å; L382-L385 WeakPolarHBondContact O-CG 3.27Å; L382-L385 PolarHBondContact O-N 3.37Å; L382-L401 HydrophobicContact CD1-CD1 3.62Å; L382-P464 HydrophobicContact CD1-CB 3.68Å; L382-P466 HydrophobicContact CD2-CB 4.14Å; L382-P466 HydrophobicContact CD2-CG 3.92Å; L382-I469 HydrophobicContact CD1-CD1 3.7Å; L382-I469 HydrophobicContact CD2-CD1 4.06Å
383	P	95.1	Very high	91.7	Very high	86 Å²	86	55.6 Å²	55.6	56%	0.558	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-67	-19.4	178.9	-22.5	36.1	0	0	0	113.8	V378 E379 I381	V378-P383 WeakPolarHBondContact O-CD 3.5Å; E379-P383 WeakPolarHBondContact O-CG 3.4Å; I381-P383 VanDerWaalsContact C-CD 3.43Å
384	N	95	Very high	90.7	Very high	49 Å²	49	62.5 Å²	62.5	26%	0.262	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-94.9	9.7	-174.9	-69.6	-67.2	0	0	0	113.5	R380 I381 L382 T620	R380-N384 PolarHBondContact O-ND2 3.35Å; I381-N384 WeakPolarHBondContact O-CB 3.45Å; I381-N384 PolarHBondContact O-N 3.43Å; L382-N384 PolarHBondContact O-N 3.34Å; N384-T620 HydrophobicContact CB-CG2 3.82Å
385	L	95.8	Very high	89.9	Confident	9 Å²	9	67.8 Å²	67.8	5%	0.047	36%	0.356	C	S	.	.			trans	-58.3	137.9	175	-72.9	-179.5	0	0	0	111.2	I354 L382 N397 L401 P464 L619	I354-L385 HydrophobicContact CD1-CD2 4.08Å; L382-L385 HydrophobicContact CD1-CD1 3.77Å; L382-L385 HydrophobicContact CD1-CG 4.39Å; L382-L385 WeakPolarHBondContact O-CG 3.27Å; L382-L385 PolarHBondContact O-N 3.37Å; L385-N397 WeakPolarHBondContact CB-ND2 3.15Å; L385-L401 HydrophobicContact CD1-CD1 4.02Å; L385-L401 HydrophobicContact CD1-CD2 4.14Å; L385-L401 HydrophobicContact CD1-CG 4.35Å; L385-L401 HydrophobicContact CD2-CD2 3.85Å; L385-P464 HydrophobicContact CD1-CB 3.5Å; L385-P464 HydrophobicContact CD1-CG 4.11Å; L385-L619 HydrophobicContact CD2-CD2 4.29Å
386	P	94.6	Very high	89.4	Confident	8 Å²	8	69.1 Å²	69.1	5%	0.052	37%	0.371	C	S	.	.			trans	-65.2	143.6	-175.7	19.9	-24.3	0	0	0	111.3	I354 N397 I399 L622 V692	I354-P386 HydrophobicContact CD1-CG 4.38Å; P386-N397 PolarHBondContact O-ND2 3.26Å; P386-I399 HydrophobicContact CB-CD1 4.32Å; P386-I399 HydrophobicContact CG-CD1 3.52Å; P386-I399 WeakPolarHBondContact O-CD1 3.31Å; P386-L622 HydrophobicContact CB-CB 4.47Å; P386-L622 HydrophobicContact CG-CB 4.19Å; P386-L622 HydrophobicContact CG-CD2 4.19Å; P386-L622 HydrophobicContact CG-CG 4.5Å; P386-V692 HydrophobicContact CB-CG1 4.03Å; P386-V692 HydrophobicContact CG-CG1 4.44Å
387	R	91.2	Very high	89.1	Confident	106 Å²	106	67.4 Å²	67.4	40%	0.4	36%	0.363	S	S	.	.			trans	-137.4	155.8	-179	-69.5	174.6	177.2	-97.4	6.2	109.1	M395 N397	R387-M395 PolarHBondContact NH1-O 3.05Å; R387-N397 WeakPolarHBondContact CG-ND2 3.47Å
388	E	88.2	Confident	88.9	Confident	42 Å²	42	69.4 Å²	69.4	20%	0.196	38%	0.376	C	S	.	.			trans	-61.4	138.4	169.7	-68	-77.3	167.1	0	0	109.4	F390 A391 S691 V692 S693 R697	E388-F390 PolarHBondContact O-N 3.28Å; E388-A391 HydrophobicContact CB-CB 4.06Å; E388-A391 WeakPolarHBondContact O-CB 3.38Å; E388-A391 PolarHBondContact O-N 2.9Å; E388-S691 WeakPolarHBondContact OE1-CB 3.22Å; E388-S691 PolarHBondContact OE1-OG 3.02Å; E388-V692 HydrophobicContact CG-CG2 3.99Å; E388-S693 WeakPolarHBondContact OE1-CB 3.36Å; E388-S693 PolarHBondContact OE1-N 2.98Å; E388-S693 PolarHBondContact OE1-OG 3.39Å; E388-R697 VanDerWaalsContact CD-NH2 3.31Å; E388-R697 IonicContact OE1-CZ 3.79Å; E388-R697 IonicContact OE1-NH1 3.61Å; E388-R697 IonicContact OE1-NH2 3.78Å; E388-R697 PolarHBondContact OE1-NH2 3.34Å; E388-R697 IonicContact OE2-CZ 2.92Å; E388-R697 IonicContact OE2-NH1 3.24Å; E388-R697 PolarHBondContact OE2-NH1 2.84Å; E388-R697 IonicContact OE2-NH2 3.43Å; E388-R697 PolarHBondContact OE2-NH2 2.75Å
389	K	78.1	Confident	88.8	Confident	126 Å²	126	67.7 Å²	67.7	55%	0.548	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.3	-174.7	-71.9	-174.5	176.5	-174.2	0	114.4
390	F	76.3	Confident	88.7	Confident	153 Å²	153	65 Å²	65	67%	0.671	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	5.5	-177.7	-52.4	-69.8	0	0	0	113.4	N261 E388	N261-F390 HydrophobicContact CB-CZ 4.3Å; E388-F390 PolarHBondContact O-N 3.28Å
391	A	79.2	Confident	88.8	Confident	46 Å²	46	61 Å²	61	38%	0.38	33%	0.334	S	S	.	.	S	Bend	trans	-72.7	133	172.6	0	0	0	0	0	109.3	E388	E388-A391 HydrophobicContact CB-CB 4.06Å; E388-A391 WeakPolarHBondContact O-CB 3.38Å; E388-A391 PolarHBondContact O-N 2.9Å
392	S	78.2	Confident	88.8	Confident	61 Å²	61	61 Å²	61	43%	0.427	33%	0.334	S	S	.	.			trans	-62.6	150.1	170.5	59.9	0	0	0	0	110.4	D394 M395	S392-D394 PolarHBondContact O-N 3.46Å; S392-M395 PolarHBondContact O-N 3.44Å; S392-M395 VanDerWaalsContact OG-CG 3.25Å; S392-M395 WeakPolarHBondContact OG-CG 2.85Å
393	S	76	Confident	88.8	Confident	92 Å²	92	60.4 Å²	60.4	64%	0.643	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-33	175.1	46	0	0	0	0	112.7	M395	S393-M395 VanDerWaalsContact C-N 3.3Å; S393-M395 PolarHBondContact O-N 3.11Å
394	D	78.1	Confident	89	Confident	147 Å²	147	56.3 Å²	56.3	79%	0.786	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-16.5	-171.6	-52.3	-14.8	0	0	0	112.4	S392	S392-D394 PolarHBondContact O-N 3.46Å
395	M	81.8	Confident	89.1	Confident	123 Å²	123	54 Å²	54	61%	0.606	29%	0.292	S	S	*	.	S	Bend	trans	-70.7	135.7	175	-71.9	-72.7	-93.8	0	0	110.2	R387 S392 S393 N397	R387-M395 PolarHBondContact NH1-O 3.05Å; S392-M395 PolarHBondContact O-N 3.44Å; S392-M395 VanDerWaalsContact OG-CG 3.25Å; S392-M395 WeakPolarHBondContact OG-CG 2.85Å; S393-M395 VanDerWaalsContact C-N 3.3Å; S393-M395 PolarHBondContact O-N 3.11Å; M395-N397 PolarHBondContact O-N 3.11Å
396	A	86.8	Confident	89.2	Confident	93 Å²	93	53.6 Å²	53.6	77%	0.769	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-57.7	132.9	175	0	0	0	0	0	110.2	P398	A396-P398 WeakPolarHBondContact O-CD 2.96Å
397	N	91.5	Very high	89.1	Confident	6 Å²	6	54 Å²	54	3%	0.032	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-68.8	124.8	177.1	-171.2	-39.1	0	0	0	109.1	L385 P386 R387 M395 I399 P464	L385-N397 WeakPolarHBondContact CB-ND2 3.15Å; P386-N397 PolarHBondContact O-ND2 3.26Å; R387-N397 WeakPolarHBondContact CG-ND2 3.47Å; M395-N397 PolarHBondContact O-N 3.11Å; N397-I399 VanDerWaalsContact C-N 3.26Å; N397-I399 PolarHBondContact O-N 2.85Å; N397-I399 VanDerWaalsContact OD1-CB 3.28Å; N397-I399 WeakPolarHBondContact OD1-CB 3.03Å; N397-I399 WeakPolarHBondContact OD1-CG1 3.44Å; N397-I399 PolarHBondContact OD1-N 3.47Å; N397-P464 HydrophobicContact CB-CG 3.89Å
398	P	93.6	Very high	89.2	Confident	42 Å²	42	52.5 Å²	52.5	27%	0.273	29%	0.289	S	S	.	.			trans	-73.4	-16.5	-176.1	30.3	-36.8	0	0	0	113.5	P351 A396 R400	P351-P398 HydrophobicContact CB-CB 3.91Å; P351-P398 WeakPolarHBondContact CB-O 3.48Å; P351-P398 HydrophobicContact CG-CB 3.98Å; A396-P398 WeakPolarHBondContact O-CD 2.96Å; P398-R400 PolarHBondContact O-NH1 2.59Å; P398-R400 VanDerWaalsContact O-NH1 3.09Å
399	I	95.7	Very high	89.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.292	C	S	.	.			trans	-65.7	142.6	179.6	-63.2	179.4	0	0	0	110.3	P352 I354 P386 N397 L401 P464 V692	P352-I399 HydrophobicContact CG-CG1 4.31Å; P352-I399 WeakPolarHBondContact O-CA 3.25Å; I354-I399 HydrophobicContact CB-CG2 4.45Å; I354-I399 HydrophobicContact CD1-CD1 4.47Å; I354-I399 HydrophobicContact CD1-CG2 4.03Å; I354-I399 HydrophobicContact CG1-CG2 3.9Å; P386-I399 HydrophobicContact CB-CD1 4.32Å; P386-I399 HydrophobicContact CG-CD1 3.52Å; P386-I399 WeakPolarHBondContact O-CD1 3.31Å; N397-I399 VanDerWaalsContact C-N 3.26Å; N397-I399 PolarHBondContact O-N 2.85Å; N397-I399 VanDerWaalsContact OD1-CB 3.28Å; N397-I399 WeakPolarHBondContact OD1-CB 3.03Å; N397-I399 WeakPolarHBondContact OD1-CG1 3.44Å; N397-I399 PolarHBondContact OD1-N 3.47Å; I399-L401 HydrophobicContact CG2-CD2 4.32Å; I399-P464 WeakPolarHBondContact O-CD 3.23Å; I399-V692 HydrophobicContact CD1-CB 4.37Å
400	R	96	Very high	90.4	Very high	75 Å²	75	47.1 Å²	47.1	28%	0.283	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	148.6	172.4	-61.2	-66.9	178.7	-98.5	3.9	110.9	P352 A353 I354 P398 L461 I462	P352-R400 PolarHBondContact O-N 3.4Å; A353-R400 CarbonylContact C-O 3.55Å; A353-R400 WeakPolarHBondContact CA-O 3.48Å; A353-R400 HydrophobicContact CB-CB 4.13Å; I354-R400 PolarHBondContact N-O 2.9Å; P398-R400 PolarHBondContact O-NH1 2.59Å; P398-R400 VanDerWaalsContact O-NH1 3.09Å; R400-L461 HydrophobicContact CB-CB 3.96Å; R400-I462 CarbonylContact C-O 3.59Å; R400-I462 VanDerWaalsContact CA-O 3.31Å; R400-I462 WeakPolarHBondContact CA-O 3.49Å; R400-I462 WeakPolarHBondContact CD-O 3.29Å
401	L	97.9	Very high	91.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142.1	179.7	-59	-173.6	0	0	0	111.2	I354 F356 F377 L382 L385 I399 F403 L461 I462 P464 I469	I354-L401 HydrophobicContact CB-CD2 3.86Å; I354-L401 HydrophobicContact CG2-CD2 4.46Å; I354-L401 CarbonylContact O-C 3.55Å; I354-L401 VanDerWaalsContact O-CA 3.27Å; I354-L401 WeakPolarHBondContact O-CA 3.22Å; F356-L401 HydrophobicContact CE2-CD2 4.29Å; F377-L401 HydrophobicContact CE1-CD1 4.28Å; F377-L401 HydrophobicContact CZ-CD1 4.27Å; L382-L401 HydrophobicContact CD1-CD1 3.62Å; L385-L401 HydrophobicContact CD1-CD1 4.02Å; L385-L401 HydrophobicContact CD1-CD2 4.14Å; L385-L401 HydrophobicContact CD1-CG 4.35Å; L385-L401 HydrophobicContact CD2-CD2 3.85Å; I399-L401 HydrophobicContact CG2-CD2 4.32Å; L401-F403 HydrophobicContact CB-CE2 4.23Å; L401-L461 CarbonylContact O-C 3.49Å; L401-L461 WeakPolarHBondContact O-CA 3.49Å; L401-I462 PolarHBondContact N-O 2.87Å; L401-I462 WeakPolarHBondContact O-CG1 3.46Å; L401-I462 PolarHBondContact O-N 2.74Å; L401-P464 HydrophobicContact CD1-CB 4.13Å; L401-P464 HydrophobicContact CG-CB 4.48Å; L401-I469 HydrophobicContact CD1-CD1 3.53Å
402	G	97.9	Very high	92.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.5	170.6	0	0	0	0	0	111.1	I354 I355 F356	I354-G402 PolarHBondContact O-N 3.26Å; I355-G402 CarbonylContact C-O 3.52Å; I355-G402 WeakPolarHBondContact CA-O 3.44Å; F356-G402 PolarHBondContact N-O 3.31Å
403	F	98.4	Very high	93.2	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.022	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128.9	179.9	-60.1	-88.6	0	0	0	109.8	F356 F377 L401 Y413 F460 I469 I472 L473	F356-F403 HydrophobicContact CB-CD1 4.05Å; F356-F403 HydrophobicContact CB-CE1 4.37Å; F356-F403 HydrophobicContact CD2-CD1 4.26Å; F356-F403 AromaticContact CD2-CE1 3.84Å; F356-F403 HydrophobicContact CD2-CE1 3.84Å; F356-F403 HydrophobicContact CD2-CZ 4.41Å; F356-F403 HydrophobicContact CG-CE1 4.34Å; F377-F403 HydrophobicContact CD2-CE1 4.47Å; F377-F403 HydrophobicContact CE1-CE1 4.17Å; F377-F403 AromaticContact CE1-CZ 3.86Å; F377-F403 HydrophobicContact CE1-CZ 3.86Å; F377-F403 AromaticContact CE2-CE1 3.98Å; F377-F403 HydrophobicContact CE2-CE1 3.98Å; F377-F403 HydrophobicContact CE2-CZ 4.42Å; F377-F403 AromaticContact CZ-CE1 3.81Å; F377-F403 HydrophobicContact CZ-CE1 3.81Å; F377-F403 AromaticContact CZ-CZ 3.8Å; F377-F403 HydrophobicContact CZ-CZ 3.8Å; L401-F403 HydrophobicContact CB-CE2 4.23Å; F403-Y413 HydrophobicContact CB-CD2 4.19Å; F403-Y413 WeakPolarHBondContact O-CD2 3.41Å; F403-Y413 PolarHBondContact O-N 2.85Å; F403-F460 WeakPolarHBondContact O-CE2 3.5Å; F403-I469 HydrophobicContact CE2-CG1 4.17Å; F403-I469 HydrophobicContact CE2-CG2 4.26Å; F403-I469 HydrophobicContact CZ-CG1 4.39Å; F403-I469 HydrophobicContact CZ-CG2 3.82Å; F403-I472 HydrophobicContact CB-CG2 4.29Å; F403-I472 HydrophobicContact CD2-CD1 4.25Å; F403-I472 HydrophobicContact CD2-CG2 4.26Å; F403-I472 HydrophobicContact CG-CG2 4.33Å; F403-L473 HydrophobicContact CD1-CD2 3.84Å; F403-L473 HydrophobicContact CE1-CD1 4.48Å; F403-L473 HydrophobicContact CE1-CD2 3.81Å; F403-L473 HydrophobicContact CE1-CG 4.44Å
404	I	98.4	Very high	94.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.1	174	-56.6	176.5	0	0	0	107	I355 F356 L357 L358 H411 F412 F460	I355-I404 HydrophobicContact CG2-CD1 4.03Å; I355-I404 HydrophobicContact CG2-CG1 4.16Å; F356-I404 PolarHBondContact O-N 3.46Å; L357-I404 CarbonylContact C-O 3.5Å; L357-I404 VanDerWaalsContact CA-O 3.29Å; L357-I404 WeakPolarHBondContact CA-O 3.23Å; L357-I404 HydrophobicContact CG-CB 4.32Å; L358-I404 PolarHBondContact N-O 3.02Å; I404-H411 CarbonylContact C-O 3.6Å; I404-H411 VanDerWaalsContact CA-O 3.3Å; I404-H411 WeakPolarHBondContact CA-O 3.3Å; I404-F412 HydrophobicContact CD1-CD1 3.93Å; I404-F412 HydrophobicContact CD1-CE1 3.53Å; I404-F412 HydrophobicContact CD1-CZ 4.01Å; I404-F412 HydrophobicContact CG1-CD1 3.96Å; I404-F412 HydrophobicContact CG1-CE1 4.1Å; I404-F412 HydrophobicContact CG1-CG 4.46Å; I404-F460 HydrophobicContact CD1-CE2 4.37Å; I404-F460 HydrophobicContact CD1-CZ 3.83Å; I404-F460 HydrophobicContact CG1-CE2 3.82Å; I404-F460 HydrophobicContact CG1-CZ 3.69Å
405	T	98.1	Very high	94.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	149.7	165.7	58.7	0	0	0	0	109.3	L358 V360 H411 Y413 I476	L358-T405 HydrophobicContact CB-CG2 4.13Å; L358-T405 HydrophobicContact CD2-CG2 4.42Å; L358-T405 CarbonylContact O-C 3.55Å; L358-T405 VanDerWaalsContact O-CA 3.24Å; L358-T405 WeakPolarHBondContact O-CA 3.31Å; V360-T405 HydrophobicContact CG1-CG2 3.82Å; T405-H411 PolarHBondContact N-O 3.38Å; T405-H411 PolarHBondContact O-N 2.89Å; T405-H411 PolarHBondContact O-ND1 3.39Å; T405-H411 WeakPolarHBondContact OG1-CB 3.42Å; T405-H411 PolarHBondContact OG1-ND1 3.02Å; T405-Y413 HydrophobicContact CG2-CE2 3.66Å; T405-Y413 WeakPolarHBondContact OG1-CE2 3.42Å; T405-Y413 PolarHBondContact OG1-OH 3.42Å; T405-I476 HydrophobicContact CG2-CD1 3.81Å; T405-I476 HydrophobicContact CG2-CG1 4.04Å; T405-I476 HydrophobicContact CG2-CG2 3.84Å
406	Y	97	Very high	94.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	150.1	-179.9	66.6	-79.1	0	0	0	112.7	L357 L358 D359 V360 Q409 S493 A498 I518 H519	L357-Y406 HydrophobicContact CB-CD1 4.3Å; L357-Y406 HydrophobicContact CB-CE1 3.93Å; L358-Y406 PolarHBondContact O-N 2.87Å; D359-Y406 WeakPolarHBondContact CA-O 3.26Å; D359-Y406 HydrophobicContact CB-CE1 4.29Å; D359-Y406 HydrophobicContact CB-CE2 4.23Å; V360-Y406 WeakPolarHBondContact CG2-O 3.43Å; V360-Y406 PolarHBondContact N-O 2.76Å; Y406-Q409 VanDerWaalsContact CA-O 3.26Å; Y406-Q409 WeakPolarHBondContact CA-O 3.37Å; Y406-S493 WeakPolarHBondContact CE2-OG 3.17Å; Y406-A498 HydrophobicContact CD1-CB 3.8Å; Y406-A498 HydrophobicContact CD2-CB 3.67Å; Y406-A498 HydrophobicContact CE1-CB 4.05Å; Y406-A498 HydrophobicContact CE2-CB 3.9Å; Y406-A498 HydrophobicContact CG-CB 3.62Å; Y406-I518 PolarHBondContact OH-O 3.47Å; Y406-H519 AromaticContact CE2-CE1 3.98Å; Y406-H519 AromaticContact CE2-ND1 3.58Å; Y406-H519 AromaticContact CZ-ND1 3.63Å; Y406-H519 WeakPolarHBondContact OH-CB 3.38Å; Y406-H519 PolarHBondContact OH-ND1 2.97Å
407	D	93.3	Very high	94.3	Very high	15 Å²	15	19.4 Å²	19.4	8%	0.08	10%	0.096	C	C	.	.	S	Bend	trans	-136.9	-105.6	166.9	66.9	-17.4	0	0	0	107.9	V360 Q409 H411 T491 S493 V494	V360-D407 HydrophobicContact CG2-CB 4.3Å; D407-Q409 PolarHBondContact N-O 3.02Å; D407-Q409 VanDerWaalsContact N-O 3.08Å; D407-Q409 PolarHBondContact OD1-N 3.41Å; D407-H411 IonicContact OD1-CE1 3.5Å; D407-T491 PolarHBondContact OD2-OG1 2.97Å; D407-S493 CarbonylContact O-C 3.58Å; D407-S493 VanDerWaalsContact O-CA 3.31Å; D407-S493 WeakPolarHBondContact O-CA 3.19Å; D407-V494 VanDerWaalsContact O-CG2 3.27Å; D407-V494 WeakPolarHBondContact O-CG2 3.05Å; D407-V494 PolarHBondContact O-N 2.72Å
408	H	92.6	Very high	92.8	Very high	76 Å²	76	24.4 Å²	24.4	35%	0.352	12%	0.119	S	C	.	.	S	Bend	trans	-84.7	-11.1	165.6	72.1	-60.4	0	0	0	112.8	T491	H408-T491 WeakPolarHBondContact ND1-CG2 2.95Å
409	Q	94.3	Very high	90.8	Very high	54 Å²	54	26.4 Å²	26.4	25%	0.252	13%	0.134	S	C	.	.	S	Bend	trans	-131.7	164.9	174	-60.7	-179	8.9	0	0	110.5	Y406 D407 H411 I445 A447	Y406-Q409 VanDerWaalsContact CA-O 3.26Å; Y406-Q409 WeakPolarHBondContact CA-O 3.37Å; D407-Q409 PolarHBondContact N-O 3.02Å; D407-Q409 VanDerWaalsContact N-O 3.08Å; D407-Q409 PolarHBondContact OD1-N 3.41Å; Q409-H411 PolarHBondContact O-CE1 3.27Å; Q409-I445 HydrophobicContact CB-CG2 4.3Å; Q409-A447 HydrophobicContact CG-CB 4.17Å
410	L	97.2	Very high	88.4	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.6	178	-55.1	171	0	0	0	110.6	F412 I445 V446 V452 A498	L410-F412 HydrophobicContact CB-CE2 4.24Å; L410-I445 CarbonylContact O-C 3.59Å; L410-I445 WeakPolarHBondContact O-CA 3.5Å; L410-V446 HydrophobicContact CB-CB 4.2Å; L410-V446 PolarHBondContact N-O 3.19Å; L410-V446 PolarHBondContact O-N 3.21Å; L410-V452 HydrophobicContact CD1-CG1 3.73Å; L410-V452 HydrophobicContact CD1-CG2 4.16Å; L410-A498 HydrophobicContact CD2-CB 3.99Å
411	H	97.3	Very high	85.5	Confident	12 Å²	12	33 Å²	33	6%	0.056	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	111.2	179.1	-40.7	87.2	0	0	0	110	I404 T405 D407 Q409 Y413 M443 Y444 F480	I404-H411 CarbonylContact C-O 3.6Å; I404-H411 VanDerWaalsContact CA-O 3.3Å; I404-H411 WeakPolarHBondContact CA-O 3.3Å; T405-H411 PolarHBondContact N-O 3.38Å; T405-H411 PolarHBondContact O-N 2.89Å; T405-H411 PolarHBondContact O-ND1 3.39Å; T405-H411 WeakPolarHBondContact OG1-CB 3.42Å; T405-H411 PolarHBondContact OG1-ND1 3.02Å; D407-H411 IonicContact OD1-CE1 3.5Å; Q409-H411 PolarHBondContact O-CE1 3.27Å; H411-Y413 HydrophobicContact CB-CE2 4.4Å; H411-M443 HydrophobicContact CB-CG 4.03Å; H411-M443 HydrophobicContact CB-SD 3.96Å; H411-Y444 CarbonylContact C-O 3.54Å; H411-Y444 WeakPolarHBondContact CA-O 3.26Å; H411-F480 AromaticContact CE1-CE1 4Å; H411-F480 AromaticContact CE1-CZ 3.85Å; H411-F480 AromaticContact ND1-CZ 3.94Å; H411-F480 AromaticContact NE2-CZ 3.88Å
412	F	97.8	Very high	82.4	Confident	1 Å²	1	39 Å²	39	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.3	178.4	-72.4	-104.3	0	0	0	110.7	I404 L410 M443 Y444 V446 V454 P455 F460	I404-F412 HydrophobicContact CD1-CD1 3.93Å; I404-F412 HydrophobicContact CD1-CE1 3.53Å; I404-F412 HydrophobicContact CD1-CZ 4.01Å; I404-F412 HydrophobicContact CG1-CD1 3.96Å; I404-F412 HydrophobicContact CG1-CE1 4.1Å; I404-F412 HydrophobicContact CG1-CG 4.46Å; L410-F412 HydrophobicContact CB-CE2 4.24Å; F412-M443 CarbonylContact O-C 3.51Å; F412-M443 VanDerWaalsContact O-CA 3.32Å; F412-M443 WeakPolarHBondContact O-CA 3.23Å; F412-Y444 PolarHBondContact N-O 3.3Å; F412-Y444 PolarHBondContact O-N 2.81Å; F412-V446 HydrophobicContact CD2-CG2 4.03Å; F412-V446 HydrophobicContact CE2-CB 4.48Å; F412-V446 HydrophobicContact CE2-CG2 3.88Å; F412-V454 HydrophobicContact CE1-CG1 4.13Å; F412-P455 HydrophobicContact CB-CG 3.9Å; F412-P455 HydrophobicContact CD1-CG 4.29Å; F412-P455 HydrophobicContact CD2-CG 3.82Å; F412-P455 HydrophobicContact CE2-CG 4.37Å; F412-P455 HydrophobicContact CG-CG 3.76Å; F412-F460 AromaticContact CD1-CD2 3.99Å; F412-F460 HydrophobicContact CD1-CD2 3.99Å; F412-F460 AromaticContact CD1-CE2 3.69Å; F412-F460 HydrophobicContact CD1-CE2 3.69Å; F412-F460 HydrophobicContact CD1-CZ 4.07Å; F412-F460 HydrophobicContact CE1-CE2 4.44Å; F412-F460 HydrophobicContact CE1-CZ 4.37Å
413	Y	97.4	Very high	79.4	Confident	1 Å²	1	43.6 Å²	43.6	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.2	175.8	-59.6	-92.6	0	0	0	110.4	F403 T405 H411 Q442 M443 F460 I472 M475 I476 F480	F403-Y413 HydrophobicContact CB-CD2 4.19Å; F403-Y413 WeakPolarHBondContact O-CD2 3.41Å; F403-Y413 PolarHBondContact O-N 2.85Å; T405-Y413 HydrophobicContact CG2-CE2 3.66Å; T405-Y413 WeakPolarHBondContact OG1-CE2 3.42Å; T405-Y413 PolarHBondContact OG1-OH 3.42Å; H411-Y413 HydrophobicContact CB-CE2 4.4Å; Y413-Q442 WeakPolarHBondContact CA-O 3.46Å; Y413-M443 HydrophobicContact CD1-CB 4.37Å; Y413-M443 HydrophobicContact CE1-CB 4.25Å; Y413-M443 HydrophobicContact CE1-CG 4.12Å; Y413-M443 HydrophobicContact CE1-SD 4.28Å; Y413-F460 WeakPolarHBondContact O-CD2 3.4Å; Y413-I472 HydrophobicContact CD1-CG2 4Å; Y413-I472 HydrophobicContact CG-CG2 3.79Å; Y413-M475 HydrophobicContact CD1-SD 4.25Å; Y413-M475 HydrophobicContact CE1-CG 4.48Å; Y413-M475 HydrophobicContact CE1-SD 4.12Å; Y413-I476 HydrophobicContact CE1-CG1 3.93Å; Y413-I476 HydrophobicContact CE2-CD1 4.29Å; Y413-I476 HydrophobicContact CE2-CG1 4.15Å; Y413-F480 WeakPolarHBondContact OH-CE2 3.42Å
414	T	95.3	Very high	76.3	Confident	4 Å²	4	52.7 Å²	52.7	3%	0.025	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	156	-174.4	65.3	0	0	0	0	110.6	P441 Q442 Y444 T456 G459 F460	T414-P441 CarbonylContact O-C 3.53Å; T414-P441 WeakPolarHBondContact O-CA 3.34Å; T414-Q442 PolarHBondContact N-O 3.06Å; T414-Q442 PolarHBondContact O-N 3.47Å; T414-Q442 PolarHBondContact OG1-O 3.38Å; T414-Y444 HydrophobicContact CG2-CD2 4Å; T414-Y444 HydrophobicContact CG2-CE2 4.28Å; T414-Y444 WeakPolarHBondContact OG1-CE2 3.37Å; T414-T456 HydrophobicContact CG2-CG2 3.62Å; T414-G459 CarbonylContact C-O 3.59Å; T414-G459 VanDerWaalsContact CA-O 3.27Å; T414-G459 WeakPolarHBondContact CA-O 3.47Å; T414-F460 HydrophobicContact CG2-CB 4.14Å; T414-F460 HydrophobicContact CG2-CD2 4.46Å
415	V	92.2	Very high	73	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.006	36%	0.357	C	S	.	.			trans	-131.6	111.9	-179.8	-172.9	0	0	0	0	109	Y438 G439 P441 G459 I462 V468 I472	V415-Y438 HydrophobicContact CG1-CD1 3.86Å; V415-Y438 HydrophobicContact CG1-CG 4.16Å; V415-G439 WeakPolarHBondContact CG1-O 3.32Å; V415-P441 HydrophobicContact CG2-CB 4.45Å; V415-P441 HydrophobicContact CG2-CG 4.47Å; V415-G459 PolarHBondContact N-O 3.11Å; V415-G459 VanDerWaalsContact O-CA 3.22Å; V415-G459 WeakPolarHBondContact O-CA 3.12Å; V415-I462 HydrophobicContact CB-CG2 4.31Å; V415-I462 HydrophobicContact CG2-CG2 4.39Å; V415-V468 HydrophobicContact CB-CG1 4.26Å; V415-V468 HydrophobicContact CG1-CG1 4.02Å; V415-V468 HydrophobicContact CG2-CG1 3.69Å; V415-I472 HydrophobicContact CG2-CD1 3.74Å; V415-I472 HydrophobicContact CG2-CG1 4.1Å
416	P	84.4	Confident	70	Confident	50 Å²	50	68.3 Å²	68.3	33%	0.325	40%	0.397	S	S	.	.			trans	-70.3	142.2	178.6	26.5	-30.9	0	0	0	111.3	G439	P416-G439 PolarHBondContact O-N 3.29Å
417	H	73.7	Confident	66.9	Low	64 Å²	64	73.5 Å²	73.5	30%	0.296	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-78	127.9	170.4	-81	-75.8	0	0	0	110.2	S419 Y438	H417-S419 PolarHBondContact O-N 3.4Å; H417-S419 VanDerWaalsContact O-N 3.16Å; H417-Y438 AromaticContact CE1-CE1 3.67Å
418	E	60.8	Low	63.8	Low	112 Å²	112	81.5 Å²	81.5	52%	0.523	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	4.9	-177.8	-66.5	-169.9	151.5	0	0	114.8	S437	E418-S437 WeakPolarHBondContact CB-O 3.4Å; E418-S437 WeakPolarHBondContact CG-O 3.47Å; E418-S437 WeakPolarHBondContact OE2-CB 3.42Å; E418-S437 PolarHBondContact OE2-OG 2.98Å
419	S	50.9	Low	60.8	Low	83 Å²	83	83.3 Å²	83.3	58%	0.58	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	8.3	-175.5	53.5	0	0	0	0	116.4	H417 S421	H417-S419 PolarHBondContact O-N 3.4Å; H417-S419 VanDerWaalsContact O-N 3.16Å; S419-S421 VanDerWaalsContact C-N 3.28Å; S419-S421 PolarHBondContact O-N 3.44Å
420	S	45.5	Very low	57.8	Low	120 Å²	120	85.9 Å²	85.9	84%	0.839	52%	0.522	S	S	*	.	S	Bend	trans	-85	10	177.5	54.8	0	0	0	0	114.9
421	S	35.3	Very low	54.8	Low	94 Å²	94	91.9 Å²	91.9	66%	0.657	55%	0.554	S	S	*	*	S	Bend	trans	-115.9	107.7	164.7	59.1	0	0	0	0	110.8	S419	S419-S421 VanDerWaalsContact C-N 3.28Å; S419-S421 PolarHBondContact O-N 3.44Å
422	S	31.9	Very low	51.6	Low	125 Å²	125	99.4 Å²	99.4	87%	0.874	59%	0.589	S	S	*	*	S	Bend	trans	67.2	85	171.7	65.4	0	0	0	0	118.5
423	A	35.5	Very low	48.7	Very low	97 Å²	97	106.2 Å²	106.2	80%	0.802	63%	0.626	S	S	*	*			trans	-150.6	107.9	145.2	0	0	0	0	0	110.2
424	Q	33.3	Very low	46	Very low	196 Å²	196	112 Å²	112	92%	0.916	66%	0.661	S	S	*	*			trans	-66.2	142.4	170	-126.1	165.4	-1	0	0	109.6	T426	Q424-T426 PolarHBondContact O-N 3.48Å
425	Q	29.4	Very low	43.5	Very low	192 Å²	192	122 Å²	122	90%	0.897	70%	0.7	S	S	*	*			trans	-47.6	123.1	178.5	-68.1	164.9	-12	0	0	113.3
426	T	34.4	Very low	41.7	Very low	137 Å²	137	125.1 Å²	125.1	84%	0.84	72%	0.716	S	S	*	*			trans	-138.6	112.3	140.7	49.6	0	0	0	0	108.5	Q424 E428	Q424-T426 PolarHBondContact O-N 3.48Å; T426-E428 PolarHBondContact O-N 2.94Å
427	S	32	Very low	40.6	Very low	110 Å²	110	126.3 Å²	126.3	77%	0.769	73%	0.726	S	S	*	*			trans	-68.8	117.7	168.3	49.1	0	0	0	0	109.6
428	E	29.6	Very low	40.5	Very low	183 Å²	183	125.7 Å²	125.7	86%	0.855	72%	0.721	S	S	*	*			trans	176.8	137.1	144.2	-97.9	162	-160.8	0	0	109.9	T426	T426-E428 PolarHBondContact O-N 2.94Å
429	S	29.4	Very low	41.3	Very low	113 Å²	113	120.9 Å²	120.9	79%	0.79	70%	0.701	S	S	*	*			trans	66.9	89.3	179.4	59.4	0	0	0	0	118.1	D431	S429-D431 VanDerWaalsContact C-N 3.35Å; S429-D431 PolarHBondContact O-N 2.86Å
430	A	31.5	Very low	43.1	Very low	108 Å²	108	125.1 Å²	125.1	89%	0.893	71%	0.709	S	S	*	*			trans	-81.1	81	159.3	0	0	0	0	0	109.4
431	D	32.4	Very low	45.3	Very low	127 Å²	127	120.1 Å²	120.1	68%	0.679	67%	0.674	S	S	*	*			trans	-135.2	116.2	167.6	-98.4	-38.6	0	0	0	110.7	S429	S429-D431 VanDerWaalsContact C-N 3.35Å; S429-D431 PolarHBondContact O-N 2.86Å
432	Q	32	Very low	48.1	Very low	169 Å²	169	119.5 Å²	119.5	79%	0.79	66%	0.661	S	S	*	*	S	Bend	trans	63.3	117.5	144.1	-61.1	173.1	23.5	0	0	120.3
433	N	35.1	Very low	51.1	Low	145 Å²	145	116.3 Å²	116.3	78%	0.775	63%	0.633	S	S	*	*			trans	74.2	53	160.5	-71.9	-10.5	0	0	0	119.3	Y435	N433-Y435 PolarHBondContact O-N 2.97Å
434	T	41	Very low	54	Low	121 Å²	121	116.2 Å²	116.2	74%	0.742	61%	0.612	S	S	*	*			trans	-79.6	101.3	153.8	-39.3	0	0	0	0	109	N436	T434-N436 PolarHBondContact O-N 3.27Å
435	Y	44.1	Very low	57.1	Low	215 Å²	215	111.2 Å²	111.2	84%	0.843	59%	0.591	S	S	*	*			trans	-62.5	93	161.5	-82.2	-87.2	0	0	0	107.3	N433 S437	N433-Y435 PolarHBondContact O-N 2.97Å; Y435-S437 PolarHBondContact O-N 3.26Å; Y435-S437 VanDerWaalsContact O-N 3.07Å
436	N	52.8	Low	60.3	Low	66 Å²	66	102.2 Å²	102.2	35%	0.353	55%	0.549	S	S	.	.			trans	-63	110.6	172	-79.8	-25.1	0	0	0	107.5	T434 Y438	T434-N436 PolarHBondContact O-N 3.27Å; N436-Y438 HydrophobicContact CB-CE2 4.14Å; N436-Y438 WeakPolarHBondContact O-CD2 3.48Å; N436-Y438 WeakPolarHBondContact O-CE2 3.35Å; N436-Y438 PolarHBondContact O-N 3.4Å
437	S	62.6	Low	63	Low	75 Å²	75	98.5 Å²	98.5	52%	0.524	53%	0.533	S	S	.	.			trans	-63.6	108.6	165.7	-170.6	0	0	0	0	106.9	E418 Y435	E418-S437 WeakPolarHBondContact CB-O 3.4Å; E418-S437 WeakPolarHBondContact CG-O 3.47Å; E418-S437 WeakPolarHBondContact OE2-CB 3.42Å; E418-S437 PolarHBondContact OE2-OG 2.98Å; Y435-S437 PolarHBondContact O-N 3.26Å; Y435-S437 VanDerWaalsContact O-N 3.07Å
438	Y	70.6	Confident	66	Low	52 Å²	52	97.1 Å²	97.1	20%	0.204	52%	0.517	C	S	.	.	B	Isolated β-bridge	trans	-83.9	132.9	177.2	-71.2	-79.7	0	0	0	108.6	V415 H417 N436 P463 V468	V415-Y438 HydrophobicContact CG1-CD1 3.86Å; V415-Y438 HydrophobicContact CG1-CG 4.16Å; H417-Y438 AromaticContact CE1-CE1 3.67Å; N436-Y438 HydrophobicContact CB-CE2 4.14Å; N436-Y438 WeakPolarHBondContact O-CD2 3.48Å; N436-Y438 WeakPolarHBondContact O-CE2 3.35Å; N436-Y438 PolarHBondContact O-N 3.4Å; Y438-P463 WeakPolarHBondContact OH-CG 3.33Å; Y438-V468 HydrophobicContact CD1-CG2 4.23Å; Y438-V468 HydrophobicContact CD2-CG2 3.17Å; Y438-V468 HydrophobicContact CE2-CG2 3.65Å; Y438-V468 HydrophobicContact CG-CG2 3.5Å; Y438-V468 VanDerWaalsContact CG-CG2 3.5Å
439	G	78.9	Confident	69.1	Low	10 Å²	10	89.7 Å²	89.7	10%	0.103	48%	0.482	C	S	.	.			trans	-67	174.2	176.4	0	0	0	0	0	112.1	V415 P416	V415-G439 WeakPolarHBondContact CG1-O 3.32Å; P416-G439 PolarHBondContact O-N 3.29Å
440	K	87.4	Confident	72	Confident	172 Å²	172	91.8 Å²	91.8	75%	0.748	48%	0.48	S	S	*	.			trans	-61	134.2	174.9	-172.3	178	179.3	179.4	0	110.4
441	P	92.5	Very high	74.9	Confident	15 Å²	15	92.5 Å²	92.5	10%	0.097	47%	0.468	C	S	.	.			trans	-54.9	145	175.5	-25	32	0	0	0	112.8	T414 V415 S471 I472 M475	T414-P441 CarbonylContact O-C 3.53Å; T414-P441 WeakPolarHBondContact O-CA 3.34Å; V415-P441 HydrophobicContact CG2-CB 4.45Å; V415-P441 HydrophobicContact CG2-CG 4.47Å; P441-S471 WeakPolarHBondContact CG-OG 3.38Å; P441-I472 HydrophobicContact CB-CG1 3.94Å; P441-I472 HydrophobicContact CG-CG1 3.98Å; P441-M475 HydrophobicContact CB-CE 3.94Å; P441-M475 WeakPolarHBondContact O-CE 3.38Å
442	Q	94.1	Very high	77.7	Confident	82 Å²	82	87.2 Å²	87.2	38%	0.383	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141	178.9	-62.2	-179.3	-6.8	0	0	110.1	Y413 T414 Y444	Y413-Q442 WeakPolarHBondContact CA-O 3.46Å; T414-Q442 PolarHBondContact N-O 3.06Å; T414-Q442 PolarHBondContact O-N 3.47Å; T414-Q442 PolarHBondContact OG1-O 3.38Å; Q442-Y444 HydrophobicContact CB-CE2 3.93Å; Q442-Y444 PolarHBondContact OE1-OH 3.41Å
443	M	95.4	Very high	80.7	Confident	58 Å²	58	84.2 Å²	84.2	29%	0.286	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.2	174.8	-177.6	-174.8	66.1	0	0	109.8	H411 F412 Y413 I445 M475 Q479	H411-M443 HydrophobicContact CB-CG 4.03Å; H411-M443 HydrophobicContact CB-SD 3.96Å; F412-M443 CarbonylContact O-C 3.51Å; F412-M443 VanDerWaalsContact O-CA 3.32Å; F412-M443 WeakPolarHBondContact O-CA 3.23Å; Y413-M443 HydrophobicContact CD1-CB 4.37Å; Y413-M443 HydrophobicContact CE1-CB 4.25Å; Y413-M443 HydrophobicContact CE1-CG 4.12Å; Y413-M443 HydrophobicContact CE1-SD 4.28Å; M443-I445 HydrophobicContact CE-CD1 3.91Å; M443-I445 HydrophobicContact CE-CG1 4.03Å; M443-M475 HydrophobicContact CB-SD 4.33Å; M443-Q479 PolarHBondContact SD-OE1 3.01Å
444	Y	96.3	Very high	83.5	Confident	94 Å²	94	78.6 Å²	78.6	37%	0.369	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.1	173.7	-70.9	-92.1	0	0	0	109.7	H411 F412 T414 Q442 P455 T456	H411-Y444 CarbonylContact C-O 3.54Å; H411-Y444 WeakPolarHBondContact CA-O 3.26Å; F412-Y444 PolarHBondContact N-O 3.3Å; F412-Y444 PolarHBondContact O-N 2.81Å; T414-Y444 HydrophobicContact CG2-CD2 4Å; T414-Y444 HydrophobicContact CG2-CE2 4.28Å; T414-Y444 WeakPolarHBondContact OG1-CE2 3.37Å; Q442-Y444 HydrophobicContact CB-CE2 3.93Å; Q442-Y444 PolarHBondContact OE1-OH 3.41Å; Y444-P455 HydrophobicContact CD1-CB 4.35Å; Y444-P455 HydrophobicContact CG-CB 4.25Å; Y444-P455 HydrophobicContact CG-CG 4.34Å; Y444-T456 HydrophobicContact CE2-CG2 4.48Å
445	I	96.7	Very high	86	Confident	91 Å²	91	74.9 Å²	74.9	47%	0.467	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.4	-178.6	-48.5	-174.5	0	0	0	109.1	Q409 L410 M443	Q409-I445 HydrophobicContact CB-CG2 4.3Å; L410-I445 CarbonylContact O-C 3.59Å; L410-I445 WeakPolarHBondContact O-CA 3.5Å; M443-I445 HydrophobicContact CE-CD1 3.91Å; M443-I445 HydrophobicContact CE-CG1 4.03Å
446	V	96.6	Very high	88.2	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.024	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	104.7	172	-179.1	0	0	0	0	107.6	L410 F412 F453 P455	L410-V446 HydrophobicContact CB-CB 4.2Å; L410-V446 PolarHBondContact N-O 3.19Å; L410-V446 PolarHBondContact O-N 3.21Å; F412-V446 HydrophobicContact CD2-CG2 4.03Å; F412-V446 HydrophobicContact CE2-CB 4.48Å; F412-V446 HydrophobicContact CE2-CG2 3.88Å; V446-F453 HydrophobicContact CG1-CD1 4.13Å; V446-F453 HydrophobicContact CG1-CE1 3.78Å; V446-F453 HydrophobicContact CG1-CZ 4.11Å; V446-F453 HydrophobicContact CG2-CE2 4.33Å; V446-F453 HydrophobicContact CG2-CZ 4.28Å; V446-P455 HydrophobicContact CG2-CG 4.29Å
447	A	92.8	Very high	89.8	Confident	59 Å²	59	66.5 Å²	66.5	49%	0.488	35%	0.348	S	S	.	.			trans	-89.7	-16.1	179.8	0	0	0	0	0	113.1	Q409 I449	Q409-A447 HydrophobicContact CG-CB 4.17Å; A447-I449 PolarHBondContact O-N 3.4Å
448	D	94	Very high	90.9	Very high	81 Å²	81	69.9 Å²	69.9	43%	0.433	36%	0.355	S	S	.	.			trans	-79.3	104.5	172.1	-166.4	-14.8	0	0	0	109.5	E450 D451	D448-E450 PolarHBondContact OD1-N 3.23Å; D448-D451 PolarHBondContact OD1-N 3.25Å
449	I	93.9	Very high	91.9	Very high	26 Å²	26	67.9 Å²	67.9	13%	0.133	35%	0.351	C	S	.	.			trans	-102.9	-4.4	-177	57.6	177.6	0	0	0	112.3	A447 V494 P497 E526 A527 P528	A447-I449 PolarHBondContact O-N 3.4Å; I449-V494 HydrophobicContact CD1-CG1 4.08Å; I449-V494 HydrophobicContact CG2-CG2 4.17Å; I449-P497 HydrophobicContact CB-CB 4.26Å; I449-P497 HydrophobicContact CB-CG 4.17Å; I449-P497 WeakPolarHBondContact O-CG 3.49Å; I449-E526 WeakPolarHBondContact CD1-O 3.46Å; I449-A527 HydrophobicContact CD1-CB 3.89Å; I449-A527 HydrophobicContact CG1-CB 4.3Å; I449-P528 WeakPolarHBondContact O-CD 3.25Å
450	E	91.5	Very high	92.7	Very high	158 Å²	158	67.6 Å²	67.6	74%	0.738	35%	0.346	S	S	*	.	S	Bend	trans	-86	-39.7	174.1	-67.3	-169.6	173.1	0	0	110.9	D448	D448-E450 PolarHBondContact OD1-N 3.23Å
451	D	91.7	Very high	93.1	Very high	122 Å²	122	60.6 Å²	60.6	65%	0.652	32%	0.317	S	S	*	.	S	Bend	trans	-123.3	81.2	175.8	-166.6	18.1	0	0	0	110.9	D448 F453	D448-D451 PolarHBondContact OD1-N 3.25Å; D451-F453 PolarHBondContact O-N 3.05Å
452	V	92.6	Very high	93.3	Very high	17 Å²	17	60.2 Å²	60.2	10%	0.103	31%	0.314	C	S	.	.			trans	-67.4	129.6	-174.6	176.8	0	0	0	0	111.4	L410 P497 Q500 S501	L410-V452 HydrophobicContact CD1-CG1 3.73Å; L410-V452 HydrophobicContact CD1-CG2 4.16Å; V452-P497 HydrophobicContact CG2-CB 3.64Å; V452-Q500 HydrophobicContact CB-CB 4.5Å; V452-S501 VanDerWaalsContact CG1-CB 3.46Å
453	F	93.2	Very high	93.2	Very high	106 Å²	106	57.9 Å²	57.9	47%	0.465	31%	0.306	S	S	.	.			trans	-130.5	162.3	173.7	68	-87.1	0	0	0	112.6	V446 D451	V446-F453 HydrophobicContact CG1-CD1 4.13Å; V446-F453 HydrophobicContact CG1-CE1 3.78Å; V446-F453 HydrophobicContact CG1-CZ 4.11Å; V446-F453 HydrophobicContact CG2-CE2 4.33Å; V446-F453 HydrophobicContact CG2-CZ 4.28Å; D451-F453 PolarHBondContact O-N 3.05Å
454	V	94.7	Very high	93.2	Very high	26 Å²	26	56.5 Å²	56.5	16%	0.158	30%	0.302	C	S	.	.			trans	-96.1	119.4	177.6	-175.2	0	0	0	0	108.6	F412 T456 E504 A505	F412-V454 HydrophobicContact CE1-CG1 4.13Å; V454-T456 PolarHBondContact O-N 3.47Å; V454-E504 HydrophobicContact CG2-CB 3.74Å; V454-E504 HydrophobicContact CG2-CG 3.93Å; V454-A505 HydrophobicContact CG1-CB 4.21Å; V454-A505 HydrophobicContact CG2-CB 3.93Å; V454-A505 VanDerWaalsContact CG2-N 3.33Å
455	P	94	Very high	93	Very high	43 Å²	43	54.5 Å²	54.5	28%	0.279	30%	0.297	S	S	.	.	S	Bend	trans	-68	-34.6	-172.3	24.2	-32.6	0	0	0	113.3	F412 Y444 V446	F412-P455 HydrophobicContact CB-CG 3.9Å; F412-P455 HydrophobicContact CD1-CG 4.29Å; F412-P455 HydrophobicContact CD2-CG 3.82Å; F412-P455 HydrophobicContact CE2-CG 4.37Å; F412-P455 HydrophobicContact CG-CG 3.76Å; Y444-P455 HydrophobicContact CD1-CB 4.35Å; Y444-P455 HydrophobicContact CG-CB 4.25Å; Y444-P455 HydrophobicContact CG-CG 4.34Å; V446-P455 HydrophobicContact CG2-CG 4.29Å
456	T	90.7	Very high	92.9	Very high	44 Å²	44	53.3 Å²	53.3	27%	0.27	30%	0.295	S	S	.	.			trans	-156	142.1	172.1	175.6	0	0	0	0	110	T414 Y444 V454 E458	T414-T456 HydrophobicContact CG2-CG2 3.62Å; Y444-T456 HydrophobicContact CE2-CG2 4.48Å; V454-T456 PolarHBondContact O-N 3.47Å; T456-E458 PolarHBondContact OG1-N 3.02Å; T456-E458 PolarHBondContact OG1-O 2.87Å
457	V	85.2	Confident	92.8	Very high	62 Å²	62	58.5 Å²	58.5	38%	0.376	33%	0.327	S	S	.	.	S	Bend	trans	-85.7	-35.9	171.2	-177.2	0	0	0	0	110.4	F460 A508 A509	V457-F460 PolarHBondContact O-N 3.36Å; V457-A508 HydrophobicContact CG2-CB 3.6Å; V457-A509 HydrophobicContact CG1-CB 4.07Å
458	E	86.7	Confident	92.8	Very high	145 Å²	145	56.1 Å²	56.1	68%	0.678	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	132.6	179.7	-168.1	173.8	-177.4	0	0	110.2	T456 F460	T456-E458 PolarHBondContact OG1-N 3.02Å; T456-E458 PolarHBondContact OG1-O 2.87Å; E458-F460 PolarHBondContact O-N 2.97Å
459	G	91.4	Very high	92.9	Very high	11 Å²	11	52.3 Å²	52.3	11%	0.113	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	-7.6	-178	0	0	0	0	0	115.4	T414 V415 I462	T414-G459 CarbonylContact C-O 3.59Å; T414-G459 VanDerWaalsContact CA-O 3.27Å; T414-G459 WeakPolarHBondContact CA-O 3.47Å; V415-G459 PolarHBondContact N-O 3.11Å; V415-G459 VanDerWaalsContact O-CA 3.22Å; V415-G459 WeakPolarHBondContact O-CA 3.12Å; G459-I462 WeakPolarHBondContact O-CG2 3.32Å
460	F	96.4	Very high	93	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.013	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-52.9	176.1	176.5	-115.2	0	0	0	112.2	I355 F403 I404 F412 Y413 T414 V457 E458 I462 A505	I355-F460 HydrophobicContact CD1-CE1 3.88Å; I355-F460 HydrophobicContact CD1-CZ 4.31Å; I355-F460 HydrophobicContact CG1-CE1 4.28Å; I355-F460 HydrophobicContact CG1-CZ 4.45Å; I355-F460 HydrophobicContact CG2-CZ 4.06Å; F403-F460 WeakPolarHBondContact O-CE2 3.5Å; I404-F460 HydrophobicContact CD1-CE2 4.37Å; I404-F460 HydrophobicContact CD1-CZ 3.83Å; I404-F460 HydrophobicContact CG1-CE2 3.82Å; I404-F460 HydrophobicContact CG1-CZ 3.69Å; F412-F460 AromaticContact CD1-CD2 3.99Å; F412-F460 HydrophobicContact CD1-CD2 3.99Å; F412-F460 AromaticContact CD1-CE2 3.69Å; F412-F460 HydrophobicContact CD1-CE2 3.69Å; F412-F460 HydrophobicContact CD1-CZ 4.07Å; F412-F460 HydrophobicContact CE1-CE2 4.44Å; F412-F460 HydrophobicContact CE1-CZ 4.37Å; Y413-F460 WeakPolarHBondContact O-CD2 3.4Å; T414-F460 HydrophobicContact CG2-CB 4.14Å; T414-F460 HydrophobicContact CG2-CD2 4.46Å; V457-F460 PolarHBondContact O-N 3.36Å; E458-F460 PolarHBondContact O-N 2.97Å; F460-I462 PolarHBondContact O-N 3.26Å; F460-A505 HydrophobicContact CD1-CB 4.02Å; F460-A505 HydrophobicContact CE1-CB 3.52Å; F460-A505 HydrophobicContact CZ-CB 4.42Å
461	L	95.9	Very high	93.1	Very high	26 Å²	26	47.3 Å²	47.3	14%	0.136	27%	0.271	C	S	.	.	S	Bend	trans	-88.6	92.6	178.1	-66.4	-175.4	0	0	0	110.6	A353 I355 R400 L401 A509	A353-L461 HydrophobicContact CB-CD1 3.9Å; A353-L461 HydrophobicContact CB-CD2 4Å; I355-L461 HydrophobicContact CD1-CD2 4.24Å; I355-L461 HydrophobicContact CG1-CD2 4.02Å; R400-L461 HydrophobicContact CB-CB 3.96Å; L401-L461 CarbonylContact O-C 3.49Å; L401-L461 WeakPolarHBondContact O-CA 3.49Å; L461-A509 HydrophobicContact CD1-CB 3.44Å; L461-A509 VanDerWaalsContact CD1-CB 3.44Å
462	I	94.9	Very high	93.4	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.031	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-94.8	155.5	-173.5	58.2	167.6	0	0	0	112.6	R400 L401 V415 G459 F460 V468 I469 I472	R400-I462 CarbonylContact C-O 3.59Å; R400-I462 VanDerWaalsContact CA-O 3.31Å; R400-I462 WeakPolarHBondContact CA-O 3.49Å; R400-I462 WeakPolarHBondContact CD-O 3.29Å; L401-I462 PolarHBondContact N-O 2.87Å; L401-I462 WeakPolarHBondContact O-CG1 3.46Å; L401-I462 PolarHBondContact O-N 2.74Å; V415-I462 HydrophobicContact CB-CG2 4.31Å; V415-I462 HydrophobicContact CG2-CG2 4.39Å; G459-I462 WeakPolarHBondContact O-CG2 3.32Å; F460-I462 PolarHBondContact O-N 3.26Å; I462-V468 HydrophobicContact CD1-CG1 3.8Å; I462-I469 HydrophobicContact CD1-CG1 3.88Å; I462-I472 HydrophobicContact CD1-CD1 3.6Å
463	P	93.7	Very high	93.6	Very high	34 Å²	34	41 Å²	41	22%	0.221	24%	0.236	C	C	.	.			trans	-64.5	159.9	168.1	27.9	-33.5	0	0	0	111.3	Y438 D465	Y438-P463 WeakPolarHBondContact OH-CG 3.33Å; P463-D465 PolarHBondContact O-N 3.21Å
464	P	94.2	Very high	93.7	Very high	29 Å²	29	42.3 Å²	42.3	19%	0.188	24%	0.244	C	C	.	.			trans	-77.5	58.1	-176.9	30.3	-31.4	0	0	0	112.5	L382 L385 N397 I399 L401 P466	L382-P464 HydrophobicContact CD1-CB 3.68Å; L385-P464 HydrophobicContact CD1-CB 3.5Å; L385-P464 HydrophobicContact CD1-CG 4.11Å; N397-P464 HydrophobicContact CB-CG 3.89Å; I399-P464 WeakPolarHBondContact O-CD 3.23Å; L401-P464 HydrophobicContact CD1-CB 4.13Å; L401-P464 HydrophobicContact CG-CB 4.48Å; P464-P466 WeakPolarHBondContact O-CD 3.46Å
465	D	92.8	Very high	93.7	Very high	51 Å²	51	42.7 Å²	42.7	27%	0.273	24%	0.244	S	C	.	.			trans	-83.8	117.9	176.8	-173.5	-47.2	0	0	0	110.3	P463 V467 V468 I469	P463-D465 PolarHBondContact O-N 3.21Å; D465-V467 VanDerWaalsContact C-N 3.27Å; D465-V467 PolarHBondContact O-N 2.86Å; D465-V467 WeakPolarHBondContact OD1-CB 3.42Å; D465-V467 PolarHBondContact OD1-N 2.8Å; D465-V468 HydrophobicContact CB-CB 4.14Å; D465-V468 HydrophobicContact CB-CG2 3.93Å; D465-V468 PolarHBondContact O-N 2.9Å; D465-V468 PolarHBondContact OD1-N 3.16Å; D465-I469 WeakPolarHBondContact O-CB 3.43Å; D465-I469 WeakPolarHBondContact O-CD1 3.11Å; D465-I469 VanDerWaalsContact O-CG1 3.25Å; D465-I469 WeakPolarHBondContact O-CG1 3.31Å; D465-I469 PolarHBondContact O-N 3.09Å
466	P	94.6	Very high	93.8	Very high	66 Å²	66	40.7 Å²	40.7	43%	0.429	23%	0.232	S	C	.	.	H	α-helix	trans	-56.6	-36.2	-179.3	-25.9	34.8	0	0	0	114.2	V378 L382 P464 S470	V378-P466 HydrophobicContact CG1-CB 3.83Å; L382-P466 HydrophobicContact CD2-CB 4.14Å; L382-P466 HydrophobicContact CD2-CG 3.92Å; P464-P466 WeakPolarHBondContact O-CD 3.46Å; P466-S470 VanDerWaalsContact O-CB 3.28Å; P466-S470 WeakPolarHBondContact O-CB 3.49Å; P466-S470 PolarHBondContact O-N 2.94Å; P466-S470 PolarHBondContact O-OG 3.07Å
467	V	93.5	Very high	94	Very high	114 Å²	114	39.3 Å²	39.3	69%	0.691	22%	0.223	S	C	*	.	H	α-helix	trans	-72.2	-48.1	-175.6	-179.6	0	0	0	0	110	D465 S470 S471	D465-V467 VanDerWaalsContact C-N 3.27Å; D465-V467 PolarHBondContact O-N 2.86Å; D465-V467 WeakPolarHBondContact OD1-CB 3.42Å; D465-V467 PolarHBondContact OD1-N 2.8Å; V467-S470 PolarHBondContact O-N 3.35Å; V467-S471 PolarHBondContact O-N 2.86Å
468	V	92.5	Very high	94.4	Very high	9 Å²	9	41 Å²	41	6%	0.055	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-46	178.8	-177.8	0	0	0	0	110.4	V415 Y438 I462 D465 S471 I472	V415-V468 HydrophobicContact CB-CG1 4.26Å; V415-V468 HydrophobicContact CG1-CG1 4.02Å; V415-V468 HydrophobicContact CG2-CG1 3.69Å; Y438-V468 HydrophobicContact CD1-CG2 4.23Å; Y438-V468 HydrophobicContact CD2-CG2 3.17Å; Y438-V468 HydrophobicContact CE2-CG2 3.65Å; Y438-V468 HydrophobicContact CG-CG2 3.5Å; Y438-V468 VanDerWaalsContact CG-CG2 3.5Å; I462-V468 HydrophobicContact CD1-CG1 3.8Å; D465-V468 HydrophobicContact CB-CB 4.14Å; D465-V468 HydrophobicContact CB-CG2 3.93Å; D465-V468 PolarHBondContact O-N 2.9Å; D465-V468 PolarHBondContact OD1-N 3.16Å; V468-S471 PolarHBondContact O-N 2.82Å; V468-S471 PolarHBondContact O-OG 2.59Å; V468-I472 PolarHBondContact O-N 2.77Å; V468-I472 VanDerWaalsContact O-N 3.16Å
469	I	96.3	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-44.5	-179.9	-70.1	169.8	0	0	0	110.9	F377 V378 L382 L401 F403 I462 D465 S471 I472 L473	F377-I469 HydrophobicContact CD1-CG2 3.69Å; F377-I469 HydrophobicContact CE1-CG2 3.77Å; V378-I469 HydrophobicContact CG2-CB 4.43Å; V378-I469 HydrophobicContact CG2-CG2 3.86Å; L382-I469 HydrophobicContact CD1-CD1 3.7Å; L382-I469 HydrophobicContact CD2-CD1 4.06Å; L401-I469 HydrophobicContact CD1-CD1 3.53Å; F403-I469 HydrophobicContact CE2-CG1 4.17Å; F403-I469 HydrophobicContact CE2-CG2 4.26Å; F403-I469 HydrophobicContact CZ-CG1 4.39Å; F403-I469 HydrophobicContact CZ-CG2 3.82Å; I462-I469 HydrophobicContact CD1-CG1 3.88Å; D465-I469 WeakPolarHBondContact O-CB 3.43Å; D465-I469 WeakPolarHBondContact O-CD1 3.11Å; D465-I469 VanDerWaalsContact O-CG1 3.25Å; D465-I469 WeakPolarHBondContact O-CG1 3.31Å; D465-I469 PolarHBondContact O-N 3.09Å; I469-S471 VanDerWaalsContact C-N 3.27Å; I469-S471 PolarHBondContact O-N 2.91Å; I469-I472 PolarHBondContact O-N 3.12Å; I469-L473 HydrophobicContact CG2-CD1 3.62Å; I469-L473 HydrophobicContact CG2-CG 4.11Å; I469-L473 WeakPolarHBondContact O-CB 3.36Å; I469-L473 VanDerWaalsContact O-CG 3.32Å; I469-L473 WeakPolarHBondContact O-CG 3.48Å; I469-L473 PolarHBondContact O-N 3.18Å
470	S	96.1	Very high	94.7	Very high	39 Å²	39	37.8 Å²	37.8	27%	0.273	22%	0.215	S	C	.	.	H	α-helix	trans	-55.1	-44.4	173.6	-73	0	0	0	0	111.5	V378 P466 V467 I472 L473 E474	V378-S470 WeakPolarHBondContact CG2-OG 3.33Å; P466-S470 VanDerWaalsContact O-CB 3.28Å; P466-S470 WeakPolarHBondContact O-CB 3.49Å; P466-S470 PolarHBondContact O-N 2.94Å; P466-S470 PolarHBondContact O-OG 3.07Å; V467-S470 PolarHBondContact O-N 3.35Å; S470-I472 VanDerWaalsContact C-N 3.31Å; S470-I472 PolarHBondContact O-N 3.15Å; S470-L473 PolarHBondContact O-N 3.45Å; S470-E474 WeakPolarHBondContact O-CB 3.4Å; S470-E474 VanDerWaalsContact O-CG 3.29Å; S470-E474 WeakPolarHBondContact O-CG 3.35Å; S470-E474 PolarHBondContact O-N 3.32Å
471	S	94.5	Very high	94.4	Very high	41 Å²	41	39.3 Å²	39.3	29%	0.287	23%	0.226	S	C	.	.	H	α-helix	trans	-63.5	-33.6	-179.5	75.7	0	0	0	0	113.8	P441 V467 V468 I469	P441-S471 WeakPolarHBondContact CG-OG 3.38Å; V467-S471 PolarHBondContact O-N 2.86Å; V468-S471 PolarHBondContact O-N 2.82Å; V468-S471 PolarHBondContact O-OG 2.59Å; I469-S471 VanDerWaalsContact C-N 3.27Å; I469-S471 PolarHBondContact O-N 2.91Å
472	I	96.7	Very high	94	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-69.7	-49.7	172.2	-66.7	169	0	0	0	110	F403 Y413 V415 P441 I462 V468 I469 S470 E474 M475	F403-I472 HydrophobicContact CB-CG2 4.29Å; F403-I472 HydrophobicContact CD2-CD1 4.25Å; F403-I472 HydrophobicContact CD2-CG2 4.26Å; F403-I472 HydrophobicContact CG-CG2 4.33Å; Y413-I472 HydrophobicContact CD1-CG2 4Å; Y413-I472 HydrophobicContact CG-CG2 3.79Å; V415-I472 HydrophobicContact CG2-CD1 3.74Å; V415-I472 HydrophobicContact CG2-CG1 4.1Å; P441-I472 HydrophobicContact CB-CG1 3.94Å; P441-I472 HydrophobicContact CG-CG1 3.98Å; I462-I472 HydrophobicContact CD1-CD1 3.6Å; V468-I472 PolarHBondContact O-N 2.77Å; V468-I472 VanDerWaalsContact O-N 3.16Å; I469-I472 PolarHBondContact O-N 3.12Å; S470-I472 VanDerWaalsContact C-N 3.31Å; S470-I472 PolarHBondContact O-N 3.15Å; I472-E474 VanDerWaalsContact C-N 3.3Å; I472-E474 PolarHBondContact O-N 3.37Å; I472-M475 VanDerWaalsContact O-CB 3.25Å; I472-M475 WeakPolarHBondContact O-CB 3.46Å; I472-M475 PolarHBondContact O-N 2.92Å
473	L	97.4	Very high	93.3	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-70.5	-25.9	-173.2	-66.5	-179.5	0	0	0	113	F373 C374 F377 F403 I469 S470 M475 I476 P477	F373-L473 HydrophobicContact CE1-CD2 4.15Å; C374-L473 HydrophobicContact CB-CB 4.18Å; C374-L473 WeakPolarHBondContact CB-O 3.46Å; F377-L473 HydrophobicContact CB-CD1 3.32Å; F377-L473 HydrophobicContact CD1-CD1 3.6Å; F377-L473 HydrophobicContact CD2-CD1 4.38Å; F377-L473 HydrophobicContact CG-CD1 3.52Å; F403-L473 HydrophobicContact CD1-CD2 3.84Å; F403-L473 HydrophobicContact CE1-CD1 4.48Å; F403-L473 HydrophobicContact CE1-CD2 3.81Å; F403-L473 HydrophobicContact CE1-CG 4.44Å; I469-L473 HydrophobicContact CG2-CD1 3.62Å; I469-L473 HydrophobicContact CG2-CG 4.11Å; I469-L473 WeakPolarHBondContact O-CB 3.36Å; I469-L473 VanDerWaalsContact O-CG 3.32Å; I469-L473 WeakPolarHBondContact O-CG 3.48Å; I469-L473 PolarHBondContact O-N 3.18Å; S470-L473 PolarHBondContact O-N 3.45Å; L473-M475 VanDerWaalsContact C-N 3.31Å; L473-I476 HydrophobicContact CD2-CD1 3.9Å; L473-P477 WeakPolarHBondContact O-CD 3.43Å
474	E	95.8	Very high	92.7	Very high	135 Å²	135	52.3 Å²	52.3	63%	0.631	29%	0.29	S	S	*	.	H	α-helix	trans	-68.1	-31.2	170	-75.7	173.9	-171.4	0	0	112.1	S470 I472 I476 T478	S470-E474 WeakPolarHBondContact O-CB 3.4Å; S470-E474 VanDerWaalsContact O-CG 3.29Å; S470-E474 WeakPolarHBondContact O-CG 3.35Å; S470-E474 PolarHBondContact O-N 3.32Å; I472-E474 VanDerWaalsContact C-N 3.3Å; I472-E474 PolarHBondContact O-N 3.37Å; E474-I476 VanDerWaalsContact C-N 3.35Å; E474-I476 PolarHBondContact O-N 3.17Å; E474-T478 WeakPolarHBondContact O-CG2 3.49Å; E474-T478 PolarHBondContact O-OG1 2.84Å
475	M	94.9	Very high	91.9	Very high	33 Å²	33	51.2 Å²	51.2	16%	0.163	28%	0.284	C	S	.	.	H	α-helix	trans	-65.2	-38.7	178.8	-171.8	178.6	-66.6	0	0	111.8	Y413 P441 M443 I472 L473 T478 Q479	Y413-M475 HydrophobicContact CD1-SD 4.25Å; Y413-M475 HydrophobicContact CE1-CG 4.48Å; Y413-M475 HydrophobicContact CE1-SD 4.12Å; P441-M475 HydrophobicContact CB-CE 3.94Å; P441-M475 WeakPolarHBondContact O-CE 3.38Å; M443-M475 HydrophobicContact CB-SD 4.33Å; I472-M475 VanDerWaalsContact O-CB 3.25Å; I472-M475 WeakPolarHBondContact O-CB 3.46Å; I472-M475 PolarHBondContact O-N 2.92Å; L473-M475 VanDerWaalsContact C-N 3.31Å; M475-T478 PolarHBondContact O-N 3.39Å; M475-T478 PolarHBondContact O-OG1 2.92Å; M475-Q479 HydrophobicContact CG-CG 4.17Å; M475-Q479 WeakPolarHBondContact O-CG 3.5Å; M475-Q479 PolarHBondContact O-N 3.28Å; M475-Q479 VanDerWaalsContact O-N 3.11Å; M475-Q479 PolarHBondContact SD-NE2 2.93Å; M475-Q479 VanDerWaalsContact SD-NE2 3.41Å
476	I	96.6	Very high	91.2	Very high	2 Å²	2	51 Å²	51	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-56.3	-171.9	-60.4	169.7	0	0	0	111.6	L358 V360 V370 T405 Y413 L473 E474 T478 Q479 F480	L358-I476 HydrophobicContact CD2-CG2 4.36Å; V360-I476 HydrophobicContact CG1-CG2 4.28Å; V370-I476 HydrophobicContact CG1-CG2 3.85Å; T405-I476 HydrophobicContact CG2-CD1 3.81Å; T405-I476 HydrophobicContact CG2-CG1 4.04Å; T405-I476 HydrophobicContact CG2-CG2 3.84Å; Y413-I476 HydrophobicContact CE1-CG1 3.93Å; Y413-I476 HydrophobicContact CE2-CD1 4.29Å; Y413-I476 HydrophobicContact CE2-CG1 4.15Å; L473-I476 HydrophobicContact CD2-CD1 3.9Å; E474-I476 VanDerWaalsContact C-N 3.35Å; E474-I476 PolarHBondContact O-N 3.17Å; I476-T478 VanDerWaalsContact C-N 3.3Å; I476-T478 PolarHBondContact O-N 3.18Å; I476-Q479 PolarHBondContact O-N 2.79Å; I476-F480 HydrophobicContact CG2-CD2 4.19Å; I476-F480 WeakPolarHBondContact O-CD2 3.3Å; I476-F480 PolarHBondContact O-N 2.88Å
477	P	95	Very high	90.5	Very high	15 Å²	15	54.1 Å²	54.1	10%	0.097	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-34.3	178.7	-22.1	34.1	0	0	0	113.5	C374 L473 Q479 C481	C374-P477 HydrophobicContact CB-CG 3.88Å; L473-P477 WeakPolarHBondContact O-CD 3.43Å; P477-Q479 PolarHBondContact O-N 3.28Å; P477-C481 HydrophobicContact CB-CB 4.18Å; P477-C481 WeakPolarHBondContact O-CA 3.43Å; P477-C481 VanDerWaalsContact O-CB 3.25Å; P477-C481 WeakPolarHBondContact O-CB 3.38Å; P477-C481 PolarHBondContact O-N 2.87Å
478	T	93	Very high	89.8	Confident	97 Å²	97	56.4 Å²	56.4	60%	0.595	29%	0.292	S	S	*	.	H	α-helix	trans	-65.7	-23.4	179	66.6	0	0	0	0	113.1	E474 M475 I476 T482	E474-T478 WeakPolarHBondContact O-CG2 3.49Å; E474-T478 PolarHBondContact O-OG1 2.84Å; M475-T478 PolarHBondContact O-N 3.39Å; M475-T478 PolarHBondContact O-OG1 2.92Å; I476-T478 VanDerWaalsContact C-N 3.3Å; I476-T478 PolarHBondContact O-N 3.18Å; T478-T482 WeakPolarHBondContact O-CG2 3.18Å
479	Q	91	Very high	89.2	Confident	61 Å²	61	64.2 Å²	64.2	29%	0.285	33%	0.328	S	S	.	.	H	α-helix	trans	-89.5	-47.5	176.6	-72.5	177.1	-18.2	0	0	112.1	M443 M475 I476 P477	M443-Q479 PolarHBondContact SD-OE1 3.01Å; M475-Q479 HydrophobicContact CG-CG 4.17Å; M475-Q479 WeakPolarHBondContact O-CG 3.5Å; M475-Q479 PolarHBondContact O-N 3.28Å; M475-Q479 VanDerWaalsContact O-N 3.11Å; M475-Q479 PolarHBondContact SD-NE2 2.93Å; M475-Q479 VanDerWaalsContact SD-NE2 3.41Å; I476-Q479 PolarHBondContact O-N 2.79Å; P477-Q479 PolarHBondContact O-N 3.28Å
480	F	92.9	Very high	88.4	Confident	28 Å²	28	68.3 Å²	68.3	12%	0.123	36%	0.355	C	S	.	.	H	α-helix	trans	-101.6	-25.7	-167.7	-63.4	-77.5	0	0	0	114.1	V360 I365 H411 Y413 I476 A485	V360-F480 HydrophobicContact CB-CB 4.31Å; V360-F480 HydrophobicContact CB-CD1 4.13Å; V360-F480 HydrophobicContact CB-CD2 4.4Å; V360-F480 HydrophobicContact CB-CG 4.02Å; V360-F480 HydrophobicContact CG1-CD2 4.25Å; V360-F480 HydrophobicContact CG1-CG 4.3Å; V360-F480 HydrophobicContact CG2-CD1 3.84Å; V360-F480 HydrophobicContact CG2-CD2 4.39Å; V360-F480 HydrophobicContact CG2-CE1 3.85Å; V360-F480 HydrophobicContact CG2-CE2 4.44Å; V360-F480 HydrophobicContact CG2-CG 4.12Å; V360-F480 HydrophobicContact CG2-CZ 4.17Å; I365-F480 HydrophobicContact CD1-CB 4.08Å; I365-F480 WeakPolarHBondContact CD1-O 3.36Å; H411-F480 AromaticContact CE1-CE1 4Å; H411-F480 AromaticContact CE1-CZ 3.85Å; H411-F480 AromaticContact ND1-CZ 3.94Å; H411-F480 AromaticContact NE2-CZ 3.88Å; Y413-F480 WeakPolarHBondContact OH-CE2 3.42Å; I476-F480 HydrophobicContact CG2-CD2 4.19Å; I476-F480 WeakPolarHBondContact O-CD2 3.3Å; I476-F480 PolarHBondContact O-N 2.88Å; F480-A485 WeakPolarHBondContact O-CB 3.22Å
481	C	89.7	Confident	87.6	Confident	34 Å²	34	68.6 Å²	68.6	23%	0.23	36%	0.355	C	S	.	.	S	Bend	trans	-96.7	15.9	-175.7	-54	0	0	0	0	113.8	I365 P477	I365-C481 HydrophobicContact CG2-CB 4.19Å; P477-C481 HydrophobicContact CB-CB 4.18Å; P477-C481 WeakPolarHBondContact O-CA 3.43Å; P477-C481 VanDerWaalsContact O-CB 3.25Å; P477-C481 WeakPolarHBondContact O-CB 3.38Å; P477-C481 PolarHBondContact O-N 2.87Å
482	T	86.9	Confident	87.2	Confident	51 Å²	51	70.6 Å²	70.6	31%	0.313	36%	0.362	S	S	.	.	S	Bend	trans	-74.7	152.9	176.6	64.7	0	0	0	0	111.7	T478 N484 A485 L486	T478-T482 WeakPolarHBondContact O-CG2 3.18Å; T482-N484 PolarHBondContact O-N 3.04Å; T482-A485 WeakPolarHBondContact O-CA 3.5Å; T482-A485 WeakPolarHBondContact O-CB 3.45Å; T482-A485 PolarHBondContact O-N 3.08Å; T482-A485 WeakPolarHBondContact OG1-CB 3.19Å; T482-A485 PolarHBondContact OG1-N 3.29Å; T482-L486 PolarHBondContact O-N 2.94Å
483	E	82.2	Confident	86.8	Confident	160 Å²	160	70.7 Å²	70.7	75%	0.748	36%	0.363	S	S	*	.	H	α-helix	trans	-53.7	-40.3	175.5	-69.8	-172.8	166.8	0	0	112.1	A485 L486 N487	E483-A485 PolarHBondContact O-N 2.73Å; E483-L486 PolarHBondContact O-N 2.9Å; E483-N487 PolarHBondContact O-N 2.85Å; E483-N487 PolarHBondContact O-ND2 3.29Å
484	N	79.7	Confident	86.7	Confident	128 Å²	128	70.7 Å²	70.7	68%	0.684	36%	0.363	S	S	*	.	H	α-helix	trans	-63.8	-39.7	176.3	-72.6	-23.1	0	0	0	112.3	T482 R488	T482-N484 PolarHBondContact O-N 3.04Å; N484-R488 WeakPolarHBondContact O-CG 3.36Å
485	A	77.2	Confident	86.7	Confident	7 Å²	7	64.4 Å²	64.4	6%	0.058	33%	0.334	C	S	.	.	H	α-helix	trans	-68.7	-42.2	176.9	0	0	0	0	0	111.4	Q362 F480 T482 E483 N487 R488	Q362-A485 PolarHBondContact NE2-O 2.82Å; F480-A485 WeakPolarHBondContact O-CB 3.22Å; T482-A485 WeakPolarHBondContact O-CA 3.5Å; T482-A485 WeakPolarHBondContact O-CB 3.45Å; T482-A485 PolarHBondContact O-N 3.08Å; T482-A485 WeakPolarHBondContact OG1-CB 3.19Å; T482-A485 PolarHBondContact OG1-N 3.29Å; E483-A485 PolarHBondContact O-N 2.73Å; A485-N487 PolarHBondContact O-N 3.15Å; A485-R488 WeakPolarHBondContact O-CB 3.45Å; A485-R488 PolarHBondContact O-N 2.78Å; A485-R488 VanDerWaalsContact O-N 3.07Å
486	L	78.3	Confident	86.9	Confident	45 Å²	45	62.9 Å²	62.9	24%	0.236	33%	0.327	C	S	.	.	H	α-helix	trans	-61.9	-25.2	178.1	-85.1	151.2	0	0	0	114.5	I365 R366 T482 E483	I365-L486 HydrophobicContact CG2-CD2 3.83Å; I365-L486 HydrophobicContact CG2-CG 4.17Å; R366-L486 HydrophobicContact CG-CD2 3.68Å; R366-L486 PolarHBondContact NH2-O 3.41Å; T482-L486 PolarHBondContact O-N 2.94Å; E483-L486 PolarHBondContact O-N 2.9Å
487	N	80	Confident	86.9	Confident	133 Å²	133	62.8 Å²	62.8	71%	0.711	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-4.3	177.7	-71	-34.5	0	0	0	113.8	E483 A485	E483-N487 PolarHBondContact O-N 2.85Å; E483-N487 PolarHBondContact O-ND2 3.29Å; A485-N487 PolarHBondContact O-N 3.15Å
488	R	79.5	Confident	87.1	Confident	162 Å²	162	62.1 Å²	62.1	61%	0.611	32%	0.322	S	S	*	.	S	Bend	trans	-68.4	154.7	173.9	-65.2	-175.5	-163.1	169.3	6.8	110.8	Q362 N484 A485	Q362-R488 PolarHBondContact NE2-O 3.27Å; N484-R488 WeakPolarHBondContact O-CG 3.36Å; A485-R488 WeakPolarHBondContact O-CB 3.45Å; A485-R488 PolarHBondContact O-N 2.78Å; A485-R488 VanDerWaalsContact O-N 3.07Å
489	Q	79.7	Confident	87.3	Confident	172 Å²	172	57.6 Å²	57.6	80%	0.804	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-54.5	133.3	170.8	-171.3	170.5	-7.8	0	0	109.5	T491	Q489-T491 PolarHBondContact O-N 3.14Å
490	P	79.9	Confident	87.7	Confident	87 Å²	87	56.9 Å²	56.9	57%	0.565	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-56	131.9	176.8	-23.9	33.2	0	0	0	110.7	Q362	Q362-P490 HydrophobicContact CG-CB 4.33Å
491	T	79	Confident	87.9	Confident	45 Å²	45	55.6 Å²	55.6	28%	0.276	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-95.2	141.6	172.6	46.4	0	0	0	0	109.5	D407 H408 Q489	D407-T491 PolarHBondContact OD2-OG1 2.97Å; H408-T491 WeakPolarHBondContact ND1-CG2 2.95Å; Q489-T491 PolarHBondContact O-N 3.14Å
492	D	85	Confident	88.3	Confident	82 Å²	82	54 Å²	54	44%	0.439	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-81.8	128.6	177.4	-66.7	-33.2	0	0	0	109.9	I524	D492-I524 HydrophobicContact CB-CG1 3.85Å; D492-I524 WeakPolarHBondContact OD1-CD1 3.39Å
493	S	88.3	Confident	88.8	Confident	4 Å²	4	51.9 Å²	51.9	3%	0.028	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-77.3	143.7	-173.6	-169.8	0	0	0	0	112.8	Y406 D407 H519 P523	Y406-S493 WeakPolarHBondContact CE2-OG 3.17Å; D407-S493 CarbonylContact O-C 3.58Å; D407-S493 VanDerWaalsContact O-CA 3.31Å; D407-S493 WeakPolarHBondContact O-CA 3.19Å; S493-H519 PolarHBondContact OG-CE1 3Å; S493-H519 VanDerWaalsContact OG-CE1 3.28Å; S493-P523 WeakPolarHBondContact O-CA 3.38Å
494	V	95.3	Very high	89.6	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.024	24%	0.238	C	C	.	.			trans	-114.9	79.7	-178	-64	0	0	0	0	113.4	D407 I449 G496 P497 A498 A527	D407-V494 VanDerWaalsContact O-CG2 3.27Å; D407-V494 WeakPolarHBondContact O-CG2 3.05Å; D407-V494 PolarHBondContact O-N 2.72Å; I449-V494 HydrophobicContact CD1-CG1 4.08Å; I449-V494 HydrophobicContact CG2-CG2 4.17Å; V494-G496 PolarHBondContact O-N 2.71Å; V494-P497 HydrophobicContact CB-CG 4.12Å; V494-P497 HydrophobicContact CG2-CB 4.37Å; V494-P497 HydrophobicContact CG2-CG 4.41Å; V494-A498 PolarHBondContact O-N 2.89Å; V494-A527 HydrophobicContact CB-CB 4.03Å; V494-A527 HydrophobicContact CG1-CB 3.68Å
495	L	97.5	Very high	90.4	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-43.7	-174.7	-178.7	59.5	0	0	0	114.6	A498 I499 V517 H519 P523 Y556 L572 L585	L495-A498 WeakPolarHBondContact O-CB 2.87Å; L495-A498 PolarHBondContact O-N 3.23Å; L495-I499 HydrophobicContact CD1-CD1 3.94Å; L495-I499 HydrophobicContact CD1-CG1 4.14Å; L495-I499 HydrophobicContact CG-CD1 4.01Å; L495-I499 PolarHBondContact O-N 2.87Å; L495-V517 HydrophobicContact CD1-CG1 3.6Å; L495-H519 HydrophobicContact CD1-CB 4.36Å; L495-P523 HydrophobicContact CB-CB 3.83Å; L495-P523 HydrophobicContact CB-CG 4.15Å; L495-P523 HydrophobicContact CD2-CG 4.47Å; L495-Y556 HydrophobicContact CD2-CE1 4.39Å; L495-L572 HydrophobicContact CD1-CD1 4.45Å; L495-L585 HydrophobicContact CD2-CD1 4.17Å; L495-L585 HydrophobicContact CD2-CD2 3.63Å; L495-L585 HydrophobicContact CD2-CG 4.43Å
496	G	97.4	Very high	91.4	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-55.7	-57.4	-178.8	0	0	0	0	0	112.7	V494 A498 I499 Q500	V494-G496 PolarHBondContact O-N 2.71Å; G496-A498 VanDerWaalsContact C-N 3.28Å; G496-A498 PolarHBondContact O-N 2.9Å; G496-I499 PolarHBondContact O-N 2.88Å; G496-Q500 WeakPolarHBondContact O-CG 3.39Å; G496-Q500 PolarHBondContact O-N 3.31Å
497	P	97.7	Very high	92.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-56.5	-38	174.3	-29.9	37.6	0	0	0	113.7	I449 V452 V494 Q500 S501 A527 P528	I449-P497 HydrophobicContact CB-CB 4.26Å; I449-P497 HydrophobicContact CB-CG 4.17Å; I449-P497 WeakPolarHBondContact O-CG 3.49Å; V452-P497 HydrophobicContact CG2-CB 3.64Å; V494-P497 HydrophobicContact CB-CG 4.12Å; V494-P497 HydrophobicContact CG2-CB 4.37Å; V494-P497 HydrophobicContact CG2-CG 4.41Å; P497-Q500 PolarHBondContact O-N 3.48Å; P497-S501 WeakPolarHBondContact O-CB 3.22Å; P497-S501 PolarHBondContact O-N 3.19Å; P497-A527 HydrophobicContact CG-CB 3.68Å; P497-P528 WeakPolarHBondContact CD-O 3.43Å
498	A	98.1	Very high	93.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.9	-51.3	176.6	0	0	0	0	0	111.2	L357 Y406 L410 V494 L495 G496 Q500 S501 G502	L357-A498 VanDerWaalsContact CD2-C 3.41Å; L357-A498 HydrophobicContact CD2-CB 4.09Å; L357-A498 WeakPolarHBondContact CD2-O 3.37Å; Y406-A498 HydrophobicContact CD1-CB 3.8Å; Y406-A498 HydrophobicContact CD2-CB 3.67Å; Y406-A498 HydrophobicContact CE1-CB 4.05Å; Y406-A498 HydrophobicContact CE2-CB 3.9Å; Y406-A498 HydrophobicContact CG-CB 3.62Å; L410-A498 HydrophobicContact CD2-CB 3.99Å; V494-A498 PolarHBondContact O-N 2.89Å; L495-A498 WeakPolarHBondContact O-CB 2.87Å; L495-A498 PolarHBondContact O-N 3.23Å; G496-A498 VanDerWaalsContact C-N 3.28Å; G496-A498 PolarHBondContact O-N 2.9Å; A498-Q500 VanDerWaalsContact C-N 3.35Å; A498-Q500 PolarHBondContact O-N 3.17Å; A498-S501 WeakPolarHBondContact O-CB 3.18Å; A498-S501 PolarHBondContact O-N 2.97Å; A498-S501 PolarHBondContact O-OG 2.68Å; A498-G502 PolarHBondContact O-N 2.88Å
499	I	98.7	Very high	93.8	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.015	18%	0.175	C	C	.	.	H	α-helix	trans	-61.1	-43.5	177.4	-66.5	171.6	0	0	0	111.2	L495 G496 S501 G502 M503 L515 V517 L559 V570 V588	L495-I499 HydrophobicContact CD1-CD1 3.94Å; L495-I499 HydrophobicContact CD1-CG1 4.14Å; L495-I499 HydrophobicContact CG-CD1 4.01Å; L495-I499 PolarHBondContact O-N 2.87Å; G496-I499 PolarHBondContact O-N 2.88Å; I499-S501 VanDerWaalsContact C-N 3.28Å; I499-S501 PolarHBondContact O-N 3Å; I499-G502 PolarHBondContact O-N 2.83Å; I499-M503 PolarHBondContact O-N 2.99Å; I499-L515 HydrophobicContact CG2-CD1 4.2Å; I499-L515 WeakPolarHBondContact O-CD1 3.28Å; I499-V517 HydrophobicContact CG1-CG2 4.07Å; I499-L559 HydrophobicContact CB-CD2 3.96Å; I499-L559 HydrophobicContact CG2-CD1 4.26Å; I499-L559 HydrophobicContact CG2-CD2 3.77Å; I499-L559 HydrophobicContact CG2-CG 4.04Å; I499-V570 HydrophobicContact CD1-CG1 4.36Å; I499-V570 HydrophobicContact CG2-CG2 4.1Å; I499-V588 HydrophobicContact CG2-CG1 4.3Å
500	Q	98.2	Very high	94.6	Very high	46 Å²	46	29.6 Å²	29.6	22%	0.215	17%	0.165	C	C	.	.	H	α-helix	trans	-56.4	-42.7	175.7	-75.8	175.8	-24.4	0	0	111.8	V452 G496 P497 A498 G502 M503 E504 L559	V452-Q500 HydrophobicContact CB-CB 4.5Å; G496-Q500 WeakPolarHBondContact O-CG 3.39Å; G496-Q500 PolarHBondContact O-N 3.31Å; P497-Q500 PolarHBondContact O-N 3.48Å; A498-Q500 VanDerWaalsContact C-N 3.35Å; A498-Q500 PolarHBondContact O-N 3.17Å; Q500-G502 PolarHBondContact O-N 2.87Å; Q500-M503 PolarHBondContact O-N 2.69Å; Q500-E504 WeakPolarHBondContact O-CB 3.41Å; Q500-E504 PolarHBondContact O-N 2.84Å; Q500-L559 HydrophobicContact CG-CD1 3.44Å; Q500-L559 VanDerWaalsContact CG-CD1 3.44Å; Q500-L559 HydrophobicContact CG-CD2 4.34Å
501	S	97.8	Very high	95.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.7	-43.2	-179.4	81.3	0	0	0	0	113	V452 P497 A498 I499 E504 A505	V452-S501 VanDerWaalsContact CG1-CB 3.46Å; P497-S501 WeakPolarHBondContact O-CB 3.22Å; P497-S501 PolarHBondContact O-N 3.19Å; A498-S501 WeakPolarHBondContact O-CB 3.18Å; A498-S501 PolarHBondContact O-N 2.97Å; A498-S501 PolarHBondContact O-OG 2.68Å; I499-S501 VanDerWaalsContact C-N 3.28Å; I499-S501 PolarHBondContact O-N 3Å; S501-E504 PolarHBondContact O-N 3.47Å; S501-A505 WeakPolarHBondContact O-CB 3.32Å; S501-A505 PolarHBondContact O-N 2.95Å
502	G	98.1	Very high	96.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.9	-41	177.2	0	0	0	0	0	112	I355 A498 I499 Q500 A505 L506	I355-G502 WeakPolarHBondContact CD1-O 3.34Å; A498-G502 PolarHBondContact O-N 2.88Å; I499-G502 PolarHBondContact O-N 2.83Å; Q500-G502 PolarHBondContact O-N 2.87Å; G502-A505 PolarHBondContact O-N 3.13Å; G502-L506 WeakPolarHBondContact O-CG 3.4Å; G502-L506 PolarHBondContact O-N 3.48Å; G502-L506 VanDerWaalsContact O-N 3.17Å
503	M	98	Very high	96.8	Very high	8 Å²	8	22.2 Å²	22.2	4%	0.039	12%	0.116	C	C	.	.	H	α-helix	trans	-62	-44.7	174.5	177.6	-161.1	65.3	0	0	111.3	I499 Q500 A505 L506 R507 T562 C563 V566 C568	I499-M503 PolarHBondContact O-N 2.99Å; Q500-M503 PolarHBondContact O-N 2.69Å; M503-A505 VanDerWaalsContact C-N 3.3Å; M503-A505 PolarHBondContact O-N 3.13Å; M503-L506 WeakPolarHBondContact O-CB 3.07Å; M503-L506 PolarHBondContact O-N 2.63Å; M503-R507 PolarHBondContact O-N 3.08Å; M503-T562 HydrophobicContact CE-CG2 3.98Å; M503-T562 HydrophobicContact SD-CG2 3.66Å; M503-C563 HydrophobicContact SD-CB 4.45Å; M503-V566 HydrophobicContact CG-CB 4.21Å; M503-V566 HydrophobicContact CG-CG1 4.34Å; M503-V566 HydrophobicContact CG-CG2 4.04Å; M503-V566 HydrophobicContact SD-CG2 4.31Å; M503-C568 HydrophobicContact CG-CB 4.21Å
504	E	97.7	Very high	97.3	Very high	55 Å²	55	22 Å²	22	26%	0.257	11%	0.114	S	C	.	.	H	α-helix	trans	-65.2	-36.6	179.7	-157	61.7	-138.3	0	0	111.5	V454 Q500 S501 L506 R507 A508	V454-E504 HydrophobicContact CG2-CB 3.74Å; V454-E504 HydrophobicContact CG2-CG 3.93Å; Q500-E504 WeakPolarHBondContact O-CB 3.41Å; Q500-E504 PolarHBondContact O-N 2.84Å; S501-E504 PolarHBondContact O-N 3.47Å; E504-L506 VanDerWaalsContact C-N 3.34Å; E504-L506 PolarHBondContact O-N 2.94Å; E504-R507 PolarHBondContact O-N 3.32Å; E504-R507 WeakPolarHBondContact OE1-CD 3.45Å; E504-R507 IonicContact OE1-CZ 3.91Å; E504-R507 IonicContact OE1-NH1 3.54Å; E504-R507 PolarHBondContact OE1-NH1 2.76Å; E504-R507 IonicContact OE2-CZ 2.76Å; E504-R507 IonicContact OE2-NH1 3.88Å; E504-R507 PolarHBondContact OE2-NH1 2.7Å; E504-A508 VanDerWaalsContact O-CB 3.3Å; E504-A508 WeakPolarHBondContact O-CB 3.29Å; E504-A508 PolarHBondContact O-N 3.02Å
505	A	97.8	Very high	97.5	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.017	11%	0.113	C	C	.	.	H	α-helix	trans	-63.2	-39.7	175.1	0	0	0	0	0	112.3	I355 V454 F460 S501 G502 M503 A509	I355-A505 HydrophobicContact CD1-CB 4Å; V454-A505 HydrophobicContact CG1-CB 4.21Å; V454-A505 HydrophobicContact CG2-CB 3.93Å; V454-A505 VanDerWaalsContact CG2-N 3.33Å; F460-A505 HydrophobicContact CD1-CB 4.02Å; F460-A505 HydrophobicContact CE1-CB 3.52Å; F460-A505 HydrophobicContact CZ-CB 4.42Å; S501-A505 WeakPolarHBondContact O-CB 3.32Å; S501-A505 PolarHBondContact O-N 2.95Å; G502-A505 PolarHBondContact O-N 3.13Å; M503-A505 VanDerWaalsContact C-N 3.3Å; M503-A505 PolarHBondContact O-N 3.13Å; A505-A509 VanDerWaalsContact O-CB 3.29Å; A505-A509 WeakPolarHBondContact O-CB 2.99Å; A505-A509 PolarHBondContact O-N 2.75Å; A505-A509 VanDerWaalsContact O-N 3.07Å
506	L	97.9	Very high	97.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.4	-43.7	173.5	-70.7	175	0	0	0	111.9	A353 I355 G502 M503 E504 A509 N510 R511 L515 V566 C568	A353-L506 HydrophobicContact CB-CD2 3.74Å; I355-L506 HydrophobicContact CD1-CD2 4.01Å; I355-L506 HydrophobicContact CD1-CG 3.85Å; G502-L506 WeakPolarHBondContact O-CG 3.4Å; G502-L506 PolarHBondContact O-N 3.48Å; G502-L506 VanDerWaalsContact O-N 3.17Å; M503-L506 WeakPolarHBondContact O-CB 3.07Å; M503-L506 PolarHBondContact O-N 2.63Å; E504-L506 VanDerWaalsContact C-N 3.34Å; E504-L506 PolarHBondContact O-N 2.94Å; L506-A509 PolarHBondContact O-N 3.28Å; L506-N510 PolarHBondContact O-N 3.5Å; L506-R511 CarbonylContact C-O 3.59Å; L506-R511 WeakPolarHBondContact CB-O 3.39Å; L506-R511 PolarHBondContact O-N 2.94Å; L506-L515 HydrophobicContact CD1-CD2 4.01Å; L506-V566 HydrophobicContact CB-CG1 4.3Å; L506-C568 HydrophobicContact CD1-CB 3.81Å
507	R	96.6	Very high	97.6	Very high	101 Å²	101	21.7 Å²	21.7	38%	0.381	11%	0.112	S	C	.	.	H	α-helix	trans	-60.8	-49.9	177	-171.9	-175	-63.8	142.1	3.1	111.4	M503 E504 A509 N510 V566	M503-R507 PolarHBondContact O-N 3.08Å; E504-R507 PolarHBondContact O-N 3.32Å; E504-R507 WeakPolarHBondContact OE1-CD 3.45Å; E504-R507 IonicContact OE1-CZ 3.91Å; E504-R507 IonicContact OE1-NH1 3.54Å; E504-R507 PolarHBondContact OE1-NH1 2.76Å; E504-R507 IonicContact OE2-CZ 2.76Å; E504-R507 IonicContact OE2-NH1 3.88Å; E504-R507 PolarHBondContact OE2-NH1 2.7Å; R507-A509 PolarHBondContact O-N 2.87Å; R507-N510 PolarHBondContact O-N 3.07Å; R507-V566 HydrophobicContact CB-CG1 3.94Å; R507-V566 HydrophobicContact CB-CG2 4.29Å; R507-V566 HydrophobicContact CG-CG2 4.42Å; R507-V566 VanDerWaalsContact NE-CG2 3.27Å; R507-V566 VanDerWaalsContact NH2-CG2 3.27Å
508	A	96.3	Very high	97.7	Very high	54 Å²	54	21.7 Å²	21.7	45%	0.446	11%	0.112	S	C	.	.	H	α-helix	trans	-62.9	-31.9	180	0	0	0	0	0	112.2	V457 E504 N510	V457-A508 HydrophobicContact CG2-CB 3.6Å; E504-A508 VanDerWaalsContact O-CB 3.3Å; E504-A508 WeakPolarHBondContact O-CB 3.29Å; E504-A508 PolarHBondContact O-N 3.02Å; A508-N510 VanDerWaalsContact C-N 3.28Å; A508-N510 PolarHBondContact O-N 3.29Å
509	A	95.5	Very high	97.7	Very high	16 Å²	16	21.7 Å²	21.7	13%	0.132	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-1.3	174.3	0	0	0	0	0	114.5	V457 L461 A505 L506 R507 R511	V457-A509 HydrophobicContact CG1-CB 4.07Å; L461-A509 HydrophobicContact CD1-CB 3.44Å; L461-A509 VanDerWaalsContact CD1-CB 3.44Å; A505-A509 VanDerWaalsContact O-CB 3.29Å; A505-A509 WeakPolarHBondContact O-CB 2.99Å; A505-A509 PolarHBondContact O-N 2.75Å; A505-A509 VanDerWaalsContact O-N 3.07Å; L506-A509 PolarHBondContact O-N 3.28Å; R507-A509 PolarHBondContact O-N 2.87Å; A509-R511 VanDerWaalsContact C-N 3.26Å; A509-R511 HydrophobicContact CB-CB 4.48Å; A509-R511 HydrophobicContact CB-CG 4.47Å; A509-R511 WeakPolarHBondContact O-CG 3.34Å; A509-R511 PolarHBondContact O-N 3.2Å
510	N	94.9	Very high	97.5	Very high	111 Å²	111	21.6 Å²	21.6	59%	0.594	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	44.3	-173.1	-167.7	32.7	0	0	0	112.7	L506 R507 A508	L506-N510 PolarHBondContact O-N 3.5Å; R507-N510 PolarHBondContact O-N 3.07Å; A508-N510 VanDerWaalsContact C-N 3.28Å; A508-N510 PolarHBondContact O-N 3.29Å
511	R	96.1	Very high	97.3	Very high	49 Å²	49	21.4 Å²	21.4	19%	0.185	11%	0.112	C	C	.	.			trans	-128.8	139.8	-178.2	-74.9	172.1	-171.2	-97.2	1.5	110.5	L350 P351 L506 A509	L350-R511 HydrophobicContact CB-CG 3.78Å; L350-R511 HydrophobicContact CD1-CG 4.06Å; P351-R511 PolarHBondContact O-NH1 3.25Å; L506-R511 CarbonylContact C-O 3.59Å; L506-R511 WeakPolarHBondContact CB-O 3.39Å; L506-R511 PolarHBondContact O-N 2.94Å; A509-R511 VanDerWaalsContact C-N 3.26Å; A509-R511 HydrophobicContact CB-CB 4.48Å; A509-R511 HydrophobicContact CB-CG 4.47Å; A509-R511 WeakPolarHBondContact O-CG 3.34Å; A509-R511 PolarHBondContact O-N 3.2Å
512	S	97.5	Very high	97.2	Very high	10 Å²	10	22.3 Å²	22.3	7%	0.07	12%	0.117	C	C	.	.			trans	-70.9	159.8	159.4	54.3	0	0	0	0	109.8	P352 A353 G567	P352-S512 CarbonylContact C-O 3.58Å; P352-S512 WeakPolarHBondContact CA-O 3.43Å; P352-S512 WeakPolarHBondContact CB-O 3.47Å; A353-S512 PolarHBondContact N-O 3.41Å; S512-G567 CarbonylContact C-O 3.58Å; S512-G567 VanDerWaalsContact CA-O 3.32Å; S512-G567 WeakPolarHBondContact CA-O 3.5Å; S512-G567 VanDerWaalsContact CB-O 3.3Å; S512-G567 WeakPolarHBondContact CB-O 3.47Å
513	G	98.3	Very high	97.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	-172.2	-178.4	0	0	0	0	0	114.4	A353 G567 C568 S569	A353-G513 CarbonylContact O-C 3.57Å; A353-G513 WeakPolarHBondContact O-CA 3.49Å; G513-G567 PolarHBondContact N-O 3.36Å; G513-C568 WeakPolarHBondContact O-CA 3.43Å; G513-S569 PolarHBondContact O-N 3.39Å
514	K	98.8	Very high	97	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.4	-179	-172.6	159.5	-173.7	168.7	0	111.2	A353 I354 I355 F516 S569 D571 L622 F625	A353-K514 PolarHBondContact O-N 3.23Å; I354-K514 WeakPolarHBondContact CA-O 3.24Å; I355-K514 PolarHBondContact N-O 2.94Å; K514-F516 HydrophobicContact CB-CE2 4.41Å; K514-F516 HydrophobicContact CD-CE2 4.07Å; K514-F516 HydrophobicContact CD-CZ 4.28Å; K514-F516 HydrophobicContact CG-CD2 4.3Å; K514-F516 HydrophobicContact CG-CE2 3.91Å; K514-S569 CarbonylContact C-O 3.56Å; K514-S569 VanDerWaalsContact CA-O 3.28Å; K514-S569 WeakPolarHBondContact CA-O 3.15Å; K514-D571 WeakPolarHBondContact CE-OD1 3.35Å; K514-D571 WeakPolarHBondContact CE-OD2 3.08Å; K514-D571 IonicContact NZ-OD1 3.8Å; K514-D571 PolarHBondContact NZ-OD1 3.12Å; K514-D571 IonicContact NZ-OD2 3.01Å; K514-D571 PolarHBondContact NZ-OD2 2.75Å; K514-L622 HydrophobicContact CD-CD1 3.98Å; K514-L622 HydrophobicContact CD-CD2 3.87Å; K514-F625 HydrophobicContact CB-CE1 3.85Å
515	L	98.9	Very high	96.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.5	174.6	-52.2	-169.7	0	0	0	108.7	I355 L357 I499 L506 V517 C568 S569 V570 D571	I355-L515 HydrophobicContact CB-CD2 3.75Å; I355-L515 HydrophobicContact CD1-CD2 3.99Å; I355-L515 HydrophobicContact CG1-CD2 4.29Å; I355-L515 HydrophobicContact CG2-CD2 4.4Å; I355-L515 CarbonylContact O-C 3.55Å; I355-L515 WeakPolarHBondContact O-CA 3.08Å; L357-L515 HydrophobicContact CD1-CB 3.71Å; L357-L515 HydrophobicContact CD1-CD1 4.21Å; L357-L515 HydrophobicContact CD1-CD2 4.06Å; L357-L515 HydrophobicContact CD1-CG 4.18Å; I499-L515 HydrophobicContact CG2-CD1 4.2Å; I499-L515 WeakPolarHBondContact O-CD1 3.28Å; L506-L515 HydrophobicContact CD1-CD2 4.01Å; L515-V517 HydrophobicContact CB-CG2 4.11Å; L515-C568 VanDerWaalsContact CG-SG 3.55Å; L515-S569 PolarHBondContact N-O 2.8Å; L515-V570 HydrophobicContact CB-CG1 4.38Å; L515-V570 HydrophobicContact CB-CG2 4.27Å; L515-V570 HydrophobicContact CD1-CG2 4.06Å; L515-V570 HydrophobicContact CG-CG2 4.3Å; L515-D571 PolarHBondContact O-N 3.26Å
516	F	98.8	Very high	96.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	98.6	168	-76.6	-98.2	0	0	0	107.7	I354 I355 F356 L357 K514 F573 L615 T618 L619	I354-F516 HydrophobicContact CG2-CD2 3.47Å; I354-F516 VanDerWaalsContact CG2-CD2 3.47Å; I354-F516 HydrophobicContact CG2-CE2 3.56Å; I355-F516 PolarHBondContact O-N 2.66Å; F356-F516 HydrophobicContact CD1-CB 3.56Å; F356-F516 HydrophobicContact CD1-CG 4.14Å; F356-F516 HydrophobicContact CE1-CB 3.8Å; F356-F516 HydrophobicContact CE1-CD1 4.41Å; F356-F516 HydrophobicContact CE1-CD2 4.1Å; F356-F516 AromaticContact CE1-CG 3.84Å; F356-F516 HydrophobicContact CE1-CG 3.84Å; F356-F516 HydrophobicContact CG-CB 4.4Å; F356-F516 HydrophobicContact CZ-CD2 4.42Å; L357-F516 PolarHBondContact N-O 3.44Å; K514-F516 HydrophobicContact CB-CE2 4.41Å; K514-F516 HydrophobicContact CD-CE2 4.07Å; K514-F516 HydrophobicContact CD-CZ 4.28Å; K514-F516 HydrophobicContact CG-CD2 4.3Å; K514-F516 HydrophobicContact CG-CE2 3.91Å; F516-F573 AromaticContact CD1-CE2 3.6Å; F516-F573 HydrophobicContact CD1-CE2 3.6Å; F516-F573 HydrophobicContact CD1-CZ 4.1Å; F516-F573 HydrophobicContact CE1-CE2 4.18Å; F516-F573 HydrophobicContact CE1-CZ 4.32Å; F516-L615 HydrophobicContact CD1-CD1 3.25Å; F516-L615 HydrophobicContact CE1-CD1 3.64Å; F516-L615 HydrophobicContact CG-CD1 4.16Å; F516-T618 HydrophobicContact CE1-CG2 3.61Å; F516-T618 HydrophobicContact CZ-CG2 4.02Å; F516-L619 HydrophobicContact CE1-CD2 4.26Å; F516-L619 HydrophobicContact CE1-CG 4.24Å; F516-L619 HydrophobicContact CE2-CD2 3.59Å; F516-L619 HydrophobicContact CE2-CG 4.42Å; F516-L619 HydrophobicContact CZ-CD2 3.41Å; F516-L619 VanDerWaalsContact CZ-CD2 3.41Å; F516-L619 HydrophobicContact CZ-CG 3.81Å
517	V	98.9	Very high	96.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.8	-175.7	-173.3	0	0	0	0	109.1	L357 L495 I499 L515 H519 V570 D571 L572 F573	L357-V517 HydrophobicContact CB-CG1 4.48Å; L357-V517 HydrophobicContact CB-CG2 4.35Å; L357-V517 HydrophobicContact CD1-CG2 4.13Å; L495-V517 HydrophobicContact CD1-CG1 3.6Å; I499-V517 HydrophobicContact CG1-CG2 4.07Å; L515-V517 HydrophobicContact CB-CG2 4.11Å; V517-H519 HydrophobicContact CG1-CB 4.42Å; V517-V570 HydrophobicContact CG2-CG1 3.68Å; V517-D571 PolarHBondContact N-O 3.19Å; V517-L572 HydrophobicContact CB-CD1 3.82Å; V517-L572 HydrophobicContact CG1-CD1 3.67Å; V517-F573 PolarHBondContact O-N 2.92Å
518	I	98.6	Very high	96.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	111.3	178.5	-61.5	166	0	0	0	105.9	L357 L358 D359 L369 F373 Y406 F573 F575 F611	L357-I518 PolarHBondContact O-N 2.76Å; L358-I518 HydrophobicContact CD1-CB 3.89Å; L358-I518 HydrophobicContact CD1-CD1 3.96Å; L358-I518 HydrophobicContact CD1-CG2 3.58Å; D359-I518 WeakPolarHBondContact CB-O 3.45Å; D359-I518 PolarHBondContact N-O 3.02Å; L369-I518 HydrophobicContact CD1-CG2 4.22Å; L369-I518 HydrophobicContact CD2-CG2 3.6Å; L369-I518 HydrophobicContact CG-CG2 4.03Å; F373-I518 HydrophobicContact CD2-CD1 3.51Å; F373-I518 HydrophobicContact CE2-CD1 3.55Å; F373-I518 HydrophobicContact CG-CD1 4.16Å; F373-I518 HydrophobicContact CZ-CD1 4.23Å; Y406-I518 PolarHBondContact OH-O 3.47Å; I518-F573 HydrophobicContact CG1-CB 4.5Å; I518-F575 HydrophobicContact CB-CE2 4.48Å; I518-F575 HydrophobicContact CG2-CD2 4.15Å; I518-F575 HydrophobicContact CG2-CE2 3.57Å; I518-F575 HydrophobicContact CG2-CZ 4.28Å; I518-F611 HydrophobicContact CD1-CZ 3.98Å; I518-F611 HydrophobicContact CG1-CZ 4.35Å
519	H	98	Very high	96.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	138.3	-168.4	-165.6	66.8	0	0	0	112.6	D359 Y406 S493 L495 V517 N521 L572 F573 L574 F575	D359-H519 IonicContact OD2-CE1 2.73Å; D359-H519 IonicContact OD2-ND1 3.89Å; D359-H519 PolarHBondContact OD2-ND1 2.99Å; Y406-H519 AromaticContact CE2-CE1 3.98Å; Y406-H519 AromaticContact CE2-ND1 3.58Å; Y406-H519 AromaticContact CZ-ND1 3.63Å; Y406-H519 WeakPolarHBondContact OH-CB 3.38Å; Y406-H519 PolarHBondContact OH-ND1 2.97Å; S493-H519 PolarHBondContact OG-CE1 3Å; S493-H519 VanDerWaalsContact OG-CE1 3.28Å; L495-H519 HydrophobicContact CD1-CB 4.36Å; V517-H519 HydrophobicContact CG1-CB 4.42Å; H519-N521 PolarHBondContact CD2-O 3.46Å; H519-N521 VanDerWaalsContact CD2-O 3.23Å; H519-N521 PolarHBondContact NE2-O 2.79Å; H519-L572 HydrophobicContact CB-CD1 4.05Å; H519-F573 PolarHBondContact N-O 2.88Å; H519-L574 HydrophobicContact CB-CD2 4.16Å; H519-L574 CarbonylContact O-C 3.45Å; H519-L574 WeakPolarHBondContact O-CA 3.38Å; H519-F575 PolarHBondContact O-N 3.32Å
520	A	94.9	Very high	96.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.008	15%	0.147	C	C	.	.			trans	-102.3	-49.5	-171.9	0	0	0	0	0	114.9	D359 A364 F575 P576	D359-A520 PolarHBondContact OD2-N 2.84Å; A364-A520 HydrophobicContact CB-CB 4.14Å; A520-F575 CarbonylContact O-C 3.56Å; A520-P576 WeakPolarHBondContact O-CA 3.33Å
521	N	93.6	Very high	96.5	Very high	42 Å²	42	23 Å²	23	23%	0.225	12%	0.119	C	C	.	.	S	Bend	trans	-119.4	175.5	-163.9	-49.3	-61	0	0	0	112.7	S361 S363 H519	S361-N521 PolarHBondContact OG-ND2 2.93Å; S363-N521 WeakPolarHBondContact CB-ND2 3.46Å; S363-N521 VanDerWaalsContact CB-OD1 3.31Å; S363-N521 WeakPolarHBondContact CB-OD1 3.45Å; S363-N521 PolarHBondContact OG-OD1 2.66Å; H519-N521 PolarHBondContact CD2-O 3.46Å; H519-N521 VanDerWaalsContact CD2-O 3.23Å; H519-N521 PolarHBondContact NE2-O 2.79Å
522	L	96.6	Very high	96.4	Very high	19 Å²	19	27.7 Å²	27.7	10%	0.099	14%	0.141	C	C	.	.			trans	-62.1	126.8	168.1	-176	71.2	0	0	0	109.2	I524 L531 N533 V580 D581	L522-I524 HydrophobicContact CB-CG2 4.21Å; L522-I524 HydrophobicContact CD2-CG2 3.65Å; L522-I524 HydrophobicContact CG-CG2 3.78Å; L522-I524 PolarHBondContact O-N 3.31Å; L522-L531 HydrophobicContact CD1-CB 3.8Å; L522-L531 HydrophobicContact CD1-CD1 4.14Å; L522-L531 HydrophobicContact CG-CB 4.32Å; L522-N533 HydrophobicContact CD2-CB 4.12Å; L522-V580 VanDerWaalsContact CD1-C 3.5Å; L522-V580 VanDerWaalsContact CD1-O 3.32Å; L522-V580 WeakPolarHBondContact CD1-O 3.46Å; L522-D581 HydrophobicContact CD1-CB 3.87Å
523	P	96.2	Very high	96.3	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.019	17%	0.167	C	C	.	.			trans	-74.7	91.5	179.5	29.1	-34.6	0	0	0	110.7	S493 L495 L531 Y556 L585	S493-P523 WeakPolarHBondContact O-CA 3.38Å; L495-P523 HydrophobicContact CB-CB 3.83Å; L495-P523 HydrophobicContact CB-CG 4.15Å; L495-P523 HydrophobicContact CD2-CG 4.47Å; P523-L531 HydrophobicContact CG-CB 4.48Å; P523-L531 HydrophobicContact CG-CD1 3.97Å; P523-L531 HydrophobicContact CG-CG 4.18Å; P523-L531 PolarHBondContact O-N 3.31Å; P523-Y556 WeakPolarHBondContact CG-OH 3.46Å; P523-L585 HydrophobicContact CG-CD2 4.05Å
524	I	95.2	Very high	96.2	Very high	68 Å²	68	34.9 Å²	34.9	35%	0.349	18%	0.175	S	C	.	.			trans	-101	-4.5	-178.4	62.7	174.6	0	0	0	113.8	D492 L522 K530	D492-I524 HydrophobicContact CB-CG1 3.85Å; D492-I524 WeakPolarHBondContact OD1-CD1 3.39Å; L522-I524 HydrophobicContact CB-CG2 4.21Å; L522-I524 HydrophobicContact CD2-CG2 3.65Å; L522-I524 HydrophobicContact CG-CG2 3.78Å; L522-I524 PolarHBondContact O-N 3.31Å; I524-K530 WeakPolarHBondContact O-CE 3.41Å
525	G	93.2	Very high	95.9	Very high	6 Å²	6	37.3 Å²	37.3	6%	0.062	19%	0.188	C	C	.	.	S	Bend	trans	-58.6	147.8	178.2	0	0	0	0	0	111.7	A527 K530	G525-A527 VanDerWaalsContact C-N 3.31Å; G525-A527 PolarHBondContact O-N 2.65Å; G525-K530 WeakPolarHBondContact O-CB 3.45Å
526	E	94.1	Very high	95.5	Very high	145 Å²	145	39.2 Å²	39.2	68%	0.678	20%	0.198	S	C	*	.	S	Bend	trans	-70.6	87.2	178.6	-63.5	-63	169	0	0	110.4	I449 K530	I449-E526 WeakPolarHBondContact CD1-O 3.46Å; E526-K530 IonicContact OE1-NZ 2.75Å; E526-K530 PolarHBondContact OE1-NZ 3.44Å; E526-K530 WeakPolarHBondContact OE2-CD 3.36Å; E526-K530 IonicContact OE2-NZ 3.32Å; E526-K530 PolarHBondContact OE2-NZ 2.77Å
527	A	94.7	Very high	95	Very high	15 Å²	15	47.8 Å²	47.8	12%	0.124	23%	0.231	C	C	.	.	S	Bend	trans	-155.4	165.7	179.8	0	0	0	0	0	111.2	I449 V494 P497 G525 G529 K530	I449-A527 HydrophobicContact CD1-CB 3.89Å; I449-A527 HydrophobicContact CG1-CB 4.3Å; V494-A527 HydrophobicContact CB-CB 4.03Å; V494-A527 HydrophobicContact CG1-CB 3.68Å; P497-A527 HydrophobicContact CG-CB 3.68Å; G525-A527 VanDerWaalsContact C-N 3.31Å; G525-A527 PolarHBondContact O-N 2.65Å; A527-G529 PolarHBondContact O-N 3.13Å; A527-K530 WeakPolarHBondContact O-CB 3.4Å; A527-K530 PolarHBondContact O-N 2.75Å
528	P	95.2	Very high	94.6	Very high	42 Å²	42	57.1 Å²	57.1	27%	0.273	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	130.6	168.2	-25.2	34.9	0	0	0	111.6	I449 P497 F555	I449-P528 WeakPolarHBondContact O-CD 3.25Å; P497-P528 WeakPolarHBondContact CD-O 3.43Å; P528-F555 HydrophobicContact CB-CD2 4.15Å; P528-F555 HydrophobicContact CB-CE2 3.37Å; P528-F555 HydrophobicContact CB-CZ 3.77Å
529	G	95.9	Very high	94.2	Very high	9 Å²	9	58.9 Å²	58.9	9%	0.093	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	8.7	-176.3	0	0	0	0	0	115.7	A527 L531 F555 Y556	A527-G529 PolarHBondContact O-N 3.13Å; G529-L531 PolarHBondContact O-N 2.95Å; G529-F555 VanDerWaalsContact CA-CE1 3.5Å; G529-Y556 VanDerWaalsContact O-CE2 3.26Å; G529-Y556 WeakPolarHBondContact O-CE2 3.05Å; G529-Y556 PolarHBondContact O-OH 3.34Å
530	K	96.6	Very high	93.7	Very high	73 Å²	73	60.6 Å²	60.6	32%	0.317	28%	0.284	S	S	.	.			trans	-50.5	132.7	169	177.1	176.3	174	-179.1	0	111.4	I524 G525 E526 A527	I524-K530 WeakPolarHBondContact O-CE 3.41Å; G525-K530 WeakPolarHBondContact O-CB 3.45Å; E526-K530 IonicContact OE1-NZ 2.75Å; E526-K530 PolarHBondContact OE1-NZ 3.44Å; E526-K530 WeakPolarHBondContact OE2-CD 3.36Å; E526-K530 IonicContact OE2-NZ 3.32Å; E526-K530 PolarHBondContact OE2-NZ 2.77Å; A527-K530 WeakPolarHBondContact O-CB 3.4Å; A527-K530 PolarHBondContact O-N 2.75Å
531	L	96.8	Very high	93	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	31%	0.306	C	S	.	.			trans	-110.8	159.3	176.8	-63.8	-179.3	0	0	0	111.9	L522 P523 G529 D552 Y556 D581 L585	L522-L531 HydrophobicContact CD1-CB 3.8Å; L522-L531 HydrophobicContact CD1-CD1 4.14Å; L522-L531 HydrophobicContact CG-CB 4.32Å; P523-L531 HydrophobicContact CG-CB 4.48Å; P523-L531 HydrophobicContact CG-CD1 3.97Å; P523-L531 HydrophobicContact CG-CG 4.18Å; P523-L531 PolarHBondContact O-N 3.31Å; G529-L531 PolarHBondContact O-N 2.95Å; L531-D552 HydrophobicContact CD2-CB 4.1Å; L531-Y556 HydrophobicContact CD1-CE2 4.07Å; L531-Y556 HydrophobicContact CD2-CE2 3.96Å; L531-Y556 HydrophobicContact CG-CE2 4.03Å; L531-D581 HydrophobicContact CD1-CB 4.09Å; L531-L585 HydrophobicContact CD1-CD2 3.61Å; L531-L585 HydrophobicContact CD1-CG 4.18Å
532	K	94.8	Very high	92.8	Very high	148 Å²	148	63.6 Å²	63.6	64%	0.643	31%	0.313	S	S	*	.			trans	-111.9	150.9	174.6	-64.5	175.2	-174.3	168.8	0	109.5	R534	K532-R534 PolarHBondContact O-N 3.29Å
533	N	94.9	Very high	92.4	Very high	114 Å²	114	69.5 Å²	69.5	61%	0.61	34%	0.34	S	S	*	.			trans	-72.6	100.3	170.8	-169.7	-22.3	0	0	0	109.3	L522 D535 F579	L522-N533 HydrophobicContact CD2-CB 4.12Å; N533-D535 PolarHBondContact OD1-N 2.96Å; N533-F579 WeakPolarHBondContact OD1-CD1 3.42Å
534	R	95	Very high	92.1	Very high	47 Å²	47	75.9 Å²	75.9	18%	0.177	37%	0.367	C	S	.	.			trans	-109.2	18.8	179.3	65.5	-179.3	-178.6	137.1	8.3	112.9	K532 D536 T547 L548 L550 F579 D581 S584	K532-R534 PolarHBondContact O-N 3.29Å; R534-D536 PolarHBondContact O-N 3.41Å; R534-T547 PolarHBondContact NH1-O 3.01Å; R534-L548 VanDerWaalsContact O-CD2 3.28Å; R534-L548 WeakPolarHBondContact O-CD2 3.37Å; R534-L550 VanDerWaalsContact CZ-O 3.26Å; R534-L550 PolarHBondContact NH1-O 2.87Å; R534-L550 PolarHBondContact NH2-O 3.3Å; R534-F579 HydrophobicContact CG-CE1 4.33Å; R534-F579 HydrophobicContact CG-CZ 4.11Å; R534-D581 IonicContact CZ-OD1 3.92Å; R534-D581 IonicContact CZ-OD2 3.08Å; R534-D581 IonicContact NE-OD1 2.93Å; R534-D581 PolarHBondContact NE-OD1 3.24Å; R534-D581 IonicContact NE-OD2 2.82Å; R534-D581 PolarHBondContact NE-OD2 3.16Å; R534-D581 IonicContact NH2-OD1 3.62Å; R534-D581 PolarHBondContact NH2-OD1 3Å; R534-D581 IonicContact NH2-OD2 2.63Å; R534-D581 PolarHBondContact NH2-OD2 3.02Å; R534-S584 PolarHBondContact NH2-OG 3.29Å
535	D	92.7	Very high	91.9	Very high	50 Å²	50	73.1 Å²	73.1	27%	0.267	35%	0.353	S	S	.	.			trans	-65.1	101.6	175.8	-176	18.8	0	0	0	110.2	N533 R537 F579	N533-D535 PolarHBondContact OD1-N 2.96Å; D535-R537 IonicContact OD2-NE 2.89Å; D535-F579 HydrophobicContact CB-CB 4.14Å; D535-F579 HydrophobicContact CB-CD1 3.97Å; D535-F579 HydrophobicContact CB-CD2 3.87Å; D535-F579 HydrophobicContact CB-CE1 4.32Å; D535-F579 HydrophobicContact CB-CE2 4.23Å; D535-F579 HydrophobicContact CB-CG 3.71Å; D535-F579 HydrophobicContact CB-CZ 4.43Å
536	D	92	Very high	91.8	Very high	40 Å²	40	77 Å²	77	21%	0.214	37%	0.368	C	S	.	.			trans	-118.8	89.5	172.7	-167.6	-11.5	0	0	0	110.7	R534 R538 L539	R534-D536 PolarHBondContact O-N 3.41Å; D536-R538 PolarHBondContact O-N 3.26Å; D536-R538 VanDerWaalsContact OD1-CB 3.31Å; D536-R538 WeakPolarHBondContact OD1-CB 3.43Å; D536-R538 IonicContact OD1-CZ 3.65Å; D536-R538 PolarHBondContact OD1-N 2.79Å; D536-R538 VanDerWaalsContact OD1-N 3.13Å; D536-R538 IonicContact OD1-NE 2.78Å; D536-R538 PolarHBondContact OD1-NE 2.79Å; D536-R538 IonicContact OD1-NH2 2.92Å; D536-R538 PolarHBondContact OD1-NH2 3.08Å; D536-R538 IonicContact OD2-CZ 3.41Å; D536-R538 IonicContact OD2-NE 2.88Å; D536-R538 IonicContact OD2-NH2 3.7Å; D536-R538 PolarHBondContact OD2-NH2 2.81Å; D536-L539 HydrophobicContact CB-CD1 3.95Å; D536-L539 HydrophobicContact CB-CG 3.95Å; D536-L539 WeakPolarHBondContact O-CB 2.85Å; D536-L539 PolarHBondContact O-N 3.29Å
537	R	87.1	Confident	91.7	Very high	180 Å²	180	73.4 Å²	73.4	68%	0.679	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-20.8	179.2	-62.9	-176.9	-179.1	-170	-3.4	114.2	D535 L539 I540	D535-R537 IonicContact OD2-NE 2.89Å; R537-L539 PolarHBondContact O-N 2.87Å; R537-I540 PolarHBondContact O-N 2.96Å
538	R	90	Very high	91.7	Very high	196 Å²	196	73.2 Å²	73.2	74%	0.74	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-17.8	178.5	-56.6	169.4	-64.5	179.9	3.6	112.5	D536 T542	D536-R538 PolarHBondContact O-N 3.26Å; D536-R538 VanDerWaalsContact OD1-CB 3.31Å; D536-R538 WeakPolarHBondContact OD1-CB 3.43Å; D536-R538 IonicContact OD1-CZ 3.65Å; D536-R538 PolarHBondContact OD1-N 2.79Å; D536-R538 VanDerWaalsContact OD1-N 3.13Å; D536-R538 IonicContact OD1-NE 2.78Å; D536-R538 PolarHBondContact OD1-NE 2.79Å; D536-R538 IonicContact OD1-NH2 2.92Å; D536-R538 PolarHBondContact OD1-NH2 3.08Å; D536-R538 IonicContact OD2-CZ 3.41Å; D536-R538 IonicContact OD2-NE 2.88Å; D536-R538 IonicContact OD2-NH2 3.7Å; D536-R538 PolarHBondContact OD2-NH2 2.81Å; R538-T542 WeakPolarHBondContact O-CG2 3.38Å
539	L	91	Very high	91.7	Very high	37 Å²	37	71.8 Å²	71.8	19%	0.194	34%	0.343	C	S	.	.	S	Bend	trans	-87.2	-19.6	178.9	-54.5	-177.7	0	0	0	112.5	D536 R537 G541 T542 K544 E545 L548	D536-L539 HydrophobicContact CB-CD1 3.95Å; D536-L539 HydrophobicContact CB-CG 3.95Å; D536-L539 WeakPolarHBondContact O-CB 2.85Å; D536-L539 PolarHBondContact O-N 3.29Å; R537-L539 PolarHBondContact O-N 2.87Å; L539-G541 PolarHBondContact O-N 3.35Å; L539-T542 WeakPolarHBondContact O-CB 3.35Å; L539-T542 PolarHBondContact O-N 3.45Å; L539-T542 PolarHBondContact O-OG1 2.94Å; L539-K544 HydrophobicContact CD2-CB 4.11Å; L539-K544 HydrophobicContact CD2-CD 4.35Å; L539-E545 WeakPolarHBondContact O-CB 3.42Å; L539-E545 PolarHBondContact O-N 3.18Å; L539-L548 HydrophobicContact CB-CD1 3.87Å; L539-L548 HydrophobicContact CB-CG 4.43Å; L539-L548 HydrophobicContact CD1-CD1 4.35Å; L539-L548 HydrophobicContact CD1-CD2 4.25Å; L539-L548 HydrophobicContact CD1-CG 4.23Å
540	I	86.5	Confident	91.7	Very high	37 Å²	37	74.9 Å²	74.9	19%	0.19	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	130.8	178.5	-63.2	178.4	0	0	0	109.4	R537 T542 E545 L548 P800 I806	R537-I540 PolarHBondContact O-N 2.96Å; I540-T542 PolarHBondContact O-N 3.11Å; I540-E545 WeakPolarHBondContact CG2-OE1 3.49Å; I540-L548 HydrophobicContact CG1-CD1 4.39Å; I540-P800 HydrophobicContact CG2-CB 3.67Å; I540-I806 HydrophobicContact CD1-CB 4.43Å
541	G	81.7	Confident	91.7	Very high	45 Å²	45	73 Å²	73	46%	0.464	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	3.9	-175.2	0	0	0	0	0	116.1	L539 E545	L539-G541 PolarHBondContact O-N 3.35Å; G541-E545 PolarHBondContact N-OE1 2.84Å
542	T	88.5	Confident	91.6	Very high	61 Å²	61	76.2 Å²	76.2	37%	0.374	37%	0.369	S	S	.	.	S	Bend	trans	-99.6	169.6	173	77.8	0	0	0	0	111.6	R538 L539 I540 K544 E545	R538-T542 WeakPolarHBondContact O-CG2 3.38Å; L539-T542 WeakPolarHBondContact O-CB 3.35Å; L539-T542 PolarHBondContact O-N 3.45Å; L539-T542 PolarHBondContact O-OG1 2.94Å; I540-T542 PolarHBondContact O-N 3.11Å; T542-K544 PolarHBondContact O-N 3.15Å; T542-K544 VanDerWaalsContact O-N 3.09Å; T542-K544 PolarHBondContact OG1-N 2.9Å; T542-E545 VanDerWaalsContact O-CB 3.24Å; T542-E545 WeakPolarHBondContact O-CB 3.42Å; T542-E545 PolarHBondContact O-N 2.97Å
543	E	87.3	Confident	91.5	Very high	142 Å²	142	71.6 Å²	71.6	66%	0.664	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.1	174.2	-57.4	-166.8	152.2	0	0	114.2	T739	E543-T739 HydrophobicContact CB-CG2 4.09Å; E543-T739 HydrophobicContact CG-CG2 3.79Å
544	K	90.7	Very high	91.6	Very high	138 Å²	138	72.3 Å²	72.3	60%	0.6	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-5.5	178.6	-68.9	-174.4	178.9	-178.9	0	113.2	L539 T542 K546 T547	L539-K544 HydrophobicContact CD2-CB 4.11Å; L539-K544 HydrophobicContact CD2-CD 4.35Å; T542-K544 PolarHBondContact O-N 3.15Å; T542-K544 VanDerWaalsContact O-N 3.09Å; T542-K544 PolarHBondContact OG1-N 2.9Å; K544-K546 PolarHBondContact O-N 2.84Å; K544-K546 VanDerWaalsContact O-N 3.12Å; K544-T547 WeakPolarHBondContact O-CB 3.33Å; K544-T547 PolarHBondContact O-N 3.38Å; K544-T547 PolarHBondContact O-OG1 3.46Å
545	E	90.9	Very high	91.7	Very high	9 Å²	9	72.4 Å²	72.4	4%	0.042	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-36.9	177.7	179.3	167.3	-128	0	0	112.5	L539 I540 G541 T542 T547 L548 L549 R809	L539-E545 WeakPolarHBondContact O-CB 3.42Å; L539-E545 PolarHBondContact O-N 3.18Å; I540-E545 WeakPolarHBondContact CG2-OE1 3.49Å; G541-E545 PolarHBondContact N-OE1 2.84Å; T542-E545 VanDerWaalsContact O-CB 3.24Å; T542-E545 WeakPolarHBondContact O-CB 3.42Å; T542-E545 PolarHBondContact O-N 2.97Å; E545-T547 PolarHBondContact O-N 3.38Å; E545-L548 WeakPolarHBondContact O-CA 3.32Å; E545-L548 WeakPolarHBondContact O-CB 3.25Å; E545-L548 PolarHBondContact O-N 3.23Å; E545-L549 HydrophobicContact CG-CD1 4.21Å; E545-L549 HydrophobicContact CG-CG 4.26Å; E545-L549 PolarHBondContact O-N 2.88Å; E545-R809 IonicContact OE1-CZ 3.43Å; E545-R809 IonicContact OE1-NE 3.85Å; E545-R809 IonicContact OE1-NH1 2.96Å; E545-R809 PolarHBondContact OE1-NH1 3.47Å; E545-R809 IonicContact OE2-CZ 3.21Å; E545-R809 IonicContact OE2-NH1 3.73Å; E545-R809 PolarHBondContact OE2-NH1 2.92Å
546	K	90.8	Very high	92	Very high	87 Å²	87	70.1 Å²	70.1	38%	0.378	35%	0.345	S	S	.	.	H	α-helix	trans	-51.5	-29	176.1	64.8	-174.3	176.7	-175.6	0	114.2	K544 L548 L549 L550	K544-K546 PolarHBondContact O-N 2.84Å; K544-K546 VanDerWaalsContact O-N 3.12Å; K546-L548 VanDerWaalsContact C-N 3.25Å; K546-L548 PolarHBondContact O-N 3.38Å; K546-L549 PolarHBondContact O-N 2.94Å; K546-L550 WeakPolarHBondContact O-CG 3.36Å; K546-L550 PolarHBondContact O-N 3.38Å
547	T	93.2	Very high	92.3	Very high	71 Å²	71	69.5 Å²	69.5	44%	0.436	34%	0.343	S	S	.	.	H	α-helix	trans	-68.5	-25.7	177	63.4	0	0	0	0	112.9	R534 K544 E545	R534-T547 PolarHBondContact NH1-O 3.01Å; K544-T547 WeakPolarHBondContact O-CB 3.33Å; K544-T547 PolarHBondContact O-N 3.38Å; K544-T547 PolarHBondContact O-OG1 3.46Å; E545-T547 PolarHBondContact O-N 3.38Å
548	L	94.6	Very high	92.8	Very high	10 Å²	10	62.2 Å²	62.2	5%	0.052	32%	0.324	C	S	.	.	H	α-helix	trans	-88.8	-22.5	175.7	-56	179.5	0	0	0	112.8	R534 L539 I540 E545 K546 A583 I806	R534-L548 VanDerWaalsContact O-CD2 3.28Å; R534-L548 WeakPolarHBondContact O-CD2 3.37Å; L539-L548 HydrophobicContact CB-CD1 3.87Å; L539-L548 HydrophobicContact CB-CG 4.43Å; L539-L548 HydrophobicContact CD1-CD1 4.35Å; L539-L548 HydrophobicContact CD1-CD2 4.25Å; L539-L548 HydrophobicContact CD1-CG 4.23Å; I540-L548 HydrophobicContact CG1-CD1 4.39Å; E545-L548 WeakPolarHBondContact O-CA 3.32Å; E545-L548 WeakPolarHBondContact O-CB 3.25Å; E545-L548 PolarHBondContact O-N 3.23Å; K546-L548 VanDerWaalsContact C-N 3.25Å; K546-L548 PolarHBondContact O-N 3.38Å; L548-A583 WeakPolarHBondContact O-CB 3.31Å; L548-I806 HydrophobicContact CB-CD1 3.75Å; L548-I806 HydrophobicContact CB-CG1 3.74Å; L548-I806 HydrophobicContact CD1-CD1 4.34Å; L548-I806 HydrophobicContact CD1-CG1 4.44Å
549	L	95.1	Very high	93.2	Very high	13 Å²	13	53.3 Å²	53.3	7%	0.068	29%	0.291	C	S	.	.	H	α-helix	trans	-82.8	-18.5	177.3	-61.8	177.6	0	0	0	113.3	E545 K546 L736 I806 M813	E545-L549 HydrophobicContact CG-CD1 4.21Å; E545-L549 HydrophobicContact CG-CG 4.26Å; E545-L549 PolarHBondContact O-N 2.88Å; K546-L549 PolarHBondContact O-N 2.94Å; L549-L736 HydrophobicContact CB-CD2 3.89Å; L549-I806 HydrophobicContact CD2-CD1 3.58Å; L549-I806 HydrophobicContact CD2-CG1 4.5Å; L549-I806 HydrophobicContact CG-CD1 4.29Å; L549-M813 HydrophobicContact CD1-CE 4.46Å; L549-M813 HydrophobicContact CD1-SD 4.25Å; L549-M813 HydrophobicContact CD2-SD 3.85Å
550	L	95.9	Very high	93.6	Very high	74 Å²	74	51.5 Å²	51.5	39%	0.387	28%	0.281	S	S	.	.	S	Bend	trans	-92.1	149	176.9	-69.9	169.4	0	0	0	110.5	R534 K546 L736	R534-L550 VanDerWaalsContact CZ-O 3.26Å; R534-L550 PolarHBondContact NH1-O 2.87Å; R534-L550 PolarHBondContact NH2-O 3.3Å; K546-L550 WeakPolarHBondContact O-CG 3.36Å; K546-L550 PolarHBondContact O-N 3.38Å; L550-L736 HydrophobicContact CD2-CB 4.28Å; L550-L736 HydrophobicContact CD2-CD2 4.46Å
551	P	96.7	Very high	94.1	Very high	34 Å²	34	53 Å²	53	22%	0.221	29%	0.287	C	S	.	.			trans	-57.8	148.3	174.6	26.9	-36.2	0	0	0	111.3	N553 V557 E587	P551-N553 VanDerWaalsContact C-N 3.27Å; P551-N553 PolarHBondContact O-N 3.5Å; P551-V557 HydrophobicContact CG-CG2 4.46Å; P551-E587 HydrophobicContact CB-CG 4.13Å; P551-E587 HydrophobicContact CG-CG 4.2Å
552	D	94.6	Very high	94.9	Very high	67 Å²	67	53 Å²	53	36%	0.358	28%	0.279	S	S	.	.	S	Bend	trans	-62.6	-35.8	179.4	-178.8	65.9	0	0	0	112.1	L531 S584	L531-D552 HydrophobicContact CD2-CB 4.1Å; D552-S584 PolarHBondContact N-OG 3.23Å
553	N	92.4	Very high	95.4	Very high	51 Å²	51	50.1 Å²	50.1	27%	0.273	26%	0.261	S	S	.	.	S	Bend	trans	-155.6	171.3	-180	61.1	71.5	0	0	0	111.1	P551 F555	P551-N553 VanDerWaalsContact C-N 3.27Å; P551-N553 PolarHBondContact O-N 3.5Å; N553-F555 VanDerWaalsContact C-N 3.32Å; N553-F555 PolarHBondContact O-N 3.38Å; N553-F555 WeakPolarHBondContact OD1-CB 3.42Å; N553-F555 PolarHBondContact OD1-N 3.31Å; N553-F555 VanDerWaalsContact OD1-N 3.11Å
554	D	96.3	Very high	95.9	Very high	130 Å²	130	43.6 Å²	43.6	70%	0.695	23%	0.231	S	C	*	.	S	Bend	trans	-83.7	2.3	-173.8	-63.3	-36.1	0	0	0	114.5	Y556 V557 G558	D554-Y556 PolarHBondContact O-N 3.43Å; D554-V557 WeakPolarHBondContact O-CB 3.43Å; D554-V557 PolarHBondContact O-N 2.86Å; D554-G558 PolarHBondContact O-N 3.37Å
555	F	97.7	Very high	96.2	Very high	49 Å²	49	42.4 Å²	42.4	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-58.5	-51.5	-175.7	174.2	-93.4	0	0	0	112	P528 G529 N553 V557 G558 L559	P528-F555 HydrophobicContact CB-CD2 4.15Å; P528-F555 HydrophobicContact CB-CE2 3.37Å; P528-F555 HydrophobicContact CB-CZ 3.77Å; G529-F555 VanDerWaalsContact CA-CE1 3.5Å; N553-F555 VanDerWaalsContact C-N 3.32Å; N553-F555 PolarHBondContact O-N 3.38Å; N553-F555 WeakPolarHBondContact OD1-CB 3.42Å; N553-F555 PolarHBondContact OD1-N 3.31Å; N553-F555 VanDerWaalsContact OD1-N 3.11Å; F555-V557 VanDerWaalsContact C-N 3.26Å; F555-V557 PolarHBondContact O-N 2.9Å; F555-G558 PolarHBondContact O-N 3.41Å; F555-L559 HydrophobicContact CE1-CD2 3.91Å; F555-L559 HydrophobicContact CZ-CD2 4.29Å; F555-L559 WeakPolarHBondContact O-CB 3.33Å; F555-L559 PolarHBondContact O-N 2.87Å
556	Y	98.4	Very high	96.5	Very high	1 Å²	1	43 Å²	43	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-68.2	-26.9	-179	-71	-76.6	0	0	0	112.3	L495 P523 G529 L531 D554 G560 S584 L585 V588	L495-Y556 HydrophobicContact CD2-CE1 4.39Å; P523-Y556 WeakPolarHBondContact CG-OH 3.46Å; G529-Y556 VanDerWaalsContact O-CE2 3.26Å; G529-Y556 WeakPolarHBondContact O-CE2 3.05Å; G529-Y556 PolarHBondContact O-OH 3.34Å; L531-Y556 HydrophobicContact CD1-CE2 4.07Å; L531-Y556 HydrophobicContact CD2-CE2 3.96Å; L531-Y556 HydrophobicContact CG-CE2 4.03Å; D554-Y556 PolarHBondContact O-N 3.43Å; Y556-G560 PolarHBondContact O-N 2.98Å; Y556-S584 WeakPolarHBondContact CB-O 3.49Å; Y556-L585 HydrophobicContact CE1-CD2 4.07Å; Y556-L585 HydrophobicContact CE2-CD2 4.11Å; Y556-V588 HydrophobicContact CD1-CG2 3.76Å; Y556-V588 HydrophobicContact CG-CG2 4.38Å; Y556-V588 WeakPolarHBondContact O-CG2 3.18Å
557	V	98.3	Very high	96.8	Very high	28 Å²	28	38.9 Å²	38.9	17%	0.17	21%	0.214	C	C	.	.	H	α-helix	trans	-65.7	-52.5	172	-179.6	0	0	0	0	110.2	P551 D554 F555 L559 G560 Q561 E587 I591	P551-V557 HydrophobicContact CG-CG2 4.46Å; D554-V557 WeakPolarHBondContact O-CB 3.43Å; D554-V557 PolarHBondContact O-N 2.86Å; F555-V557 VanDerWaalsContact C-N 3.26Å; F555-V557 PolarHBondContact O-N 2.9Å; V557-L559 VanDerWaalsContact C-N 3.34Å; V557-L559 PolarHBondContact O-N 2.91Å; V557-G560 PolarHBondContact O-N 3.09Å; V557-Q561 WeakPolarHBondContact O-CG 3.36Å; V557-Q561 PolarHBondContact O-N 3.32Å; V557-Q561 VanDerWaalsContact O-N 3.08Å; V557-E587 HydrophobicContact CG2-CB 4.24Å; V557-E587 HydrophobicContact CG2-CG 4Å; V557-I591 HydrophobicContact CB-CD1 4.32Å; V557-I591 HydrophobicContact CG1-CD1 3.9Å
558	G	98.3	Very high	97.1	Very high	27 Å²	27	35.5 Å²	35.5	28%	0.278	19%	0.193	S	C	.	.	H	α-helix	trans	-63.8	-37.4	179	0	0	0	0	0	113.1	D554 F555 Q561 T562	D554-G558 PolarHBondContact O-N 3.37Å; F555-G558 PolarHBondContact O-N 3.41Å; G558-Q561 PolarHBondContact O-N 3.29Å; G558-T562 PolarHBondContact O-N 3.28Å; G558-T562 PolarHBondContact O-OG1 3.45Å
559	L	98.5	Very high	97.3	Very high	8 Å²	8	35 Å²	35	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-44.5	174	-179.5	55.1	0	0	0	111.6	I499 Q500 F555 V557 Q561 T562 C563 V588	I499-L559 HydrophobicContact CB-CD2 3.96Å; I499-L559 HydrophobicContact CG2-CD1 4.26Å; I499-L559 HydrophobicContact CG2-CD2 3.77Å; I499-L559 HydrophobicContact CG2-CG 4.04Å; Q500-L559 HydrophobicContact CG-CD1 3.44Å; Q500-L559 VanDerWaalsContact CG-CD1 3.44Å; Q500-L559 HydrophobicContact CG-CD2 4.34Å; F555-L559 HydrophobicContact CE1-CD2 3.91Å; F555-L559 HydrophobicContact CZ-CD2 4.29Å; F555-L559 WeakPolarHBondContact O-CB 3.33Å; F555-L559 PolarHBondContact O-N 2.87Å; V557-L559 VanDerWaalsContact C-N 3.34Å; V557-L559 PolarHBondContact O-N 2.91Å; L559-Q561 VanDerWaalsContact C-N 3.33Å; L559-Q561 PolarHBondContact O-N 2.91Å; L559-T562 PolarHBondContact O-N 2.9Å; L559-C563 WeakPolarHBondContact O-CB 3.28Å; L559-C563 PolarHBondContact O-N 3.4Å; L559-C563 PolarHBondContact O-SG 2.9Å; L559-V588 HydrophobicContact CB-CG2 4.42Å; L559-V588 HydrophobicContact CD2-CG2 4.28Å; L559-V588 HydrophobicContact CG-CG2 4.33Å
560	G	98.6	Very high	97.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.8	-41.5	175.4	0	0	0	0	0	112.9	Y556 V557 C563 V564 T592	Y556-G560 PolarHBondContact O-N 2.98Å; V557-G560 PolarHBondContact O-N 3.09Å; G560-C563 WeakPolarHBondContact O-CB 3.23Å; G560-C563 PolarHBondContact O-N 2.53Å; G560-V564 WeakPolarHBondContact O-CG2 3.36Å; G560-V564 PolarHBondContact O-N 3.33Å; G560-V564 VanDerWaalsContact O-N 3.09Å; G560-T592 WeakPolarHBondContact O-CG2 3.38Å
561	Q	98.5	Very high	97.6	Very high	67 Å²	67	31 Å²	31	31%	0.313	17%	0.169	S	C	.	.	H	α-helix	trans	-62.5	-48.9	176.8	-67.3	173.3	-6.2	0	0	111.5	V557 G558 L559 C563 V564 E565 I591 Y647	V557-Q561 WeakPolarHBondContact O-CG 3.36Å; V557-Q561 PolarHBondContact O-N 3.32Å; V557-Q561 VanDerWaalsContact O-N 3.08Å; G558-Q561 PolarHBondContact O-N 3.29Å; L559-Q561 VanDerWaalsContact C-N 3.33Å; L559-Q561 PolarHBondContact O-N 2.91Å; Q561-C563 VanDerWaalsContact C-N 3.26Å; Q561-C563 PolarHBondContact O-N 3.34Å; Q561-V564 PolarHBondContact O-N 2.97Å; Q561-V564 VanDerWaalsContact O-N 3.09Å; Q561-E565 WeakPolarHBondContact O-CG 3.43Å; Q561-E565 PolarHBondContact O-N 2.83Å; Q561-I591 HydrophobicContact CG-CG2 4.4Å; Q561-Y647 HydrophobicContact CB-CE2 4.46Å; Q561-Y647 HydrophobicContact CG-CD2 4.14Å; Q561-Y647 HydrophobicContact CG-CE2 3.59Å
562	T	98.2	Very high	97.7	Very high	47 Å²	47	29.4 Å²	29.4	29%	0.288	16%	0.159	S	C	.	.	H	α-helix	trans	-61.7	-36.5	178.4	-47.7	0	0	0	0	111.5	M503 G558 L559 E565 V566	M503-T562 HydrophobicContact CE-CG2 3.98Å; M503-T562 HydrophobicContact SD-CG2 3.66Å; G558-T562 PolarHBondContact O-N 3.28Å; G558-T562 PolarHBondContact O-OG1 3.45Å; L559-T562 PolarHBondContact O-N 2.9Å; T562-E565 PolarHBondContact O-N 2.81Å; T562-V566 WeakPolarHBondContact O-CG2 3.38Å; T562-V566 PolarHBondContact O-N 2.86Å
563	C	98.7	Very high	97.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.4	-45.6	173.9	-73.4	0	0	0	0	111.7	M503 L559 G560 Q561 E565 V566 G567 C568 T592	M503-C563 HydrophobicContact SD-CB 4.45Å; L559-C563 WeakPolarHBondContact O-CB 3.28Å; L559-C563 PolarHBondContact O-N 3.4Å; L559-C563 PolarHBondContact O-SG 2.9Å; G560-C563 WeakPolarHBondContact O-CB 3.23Å; G560-C563 PolarHBondContact O-N 2.53Å; Q561-C563 VanDerWaalsContact C-N 3.26Å; Q561-C563 PolarHBondContact O-N 3.34Å; C563-E565 PolarHBondContact O-N 3.04Å; C563-V566 PolarHBondContact O-N 3.27Å; C563-G567 PolarHBondContact O-N 3.25Å; C563-G567 VanDerWaalsContact O-N 3.09Å; C563-C568 CarbonylContact C-O 3.58Å; C563-C568 HydrophobicContact CB-CB 4.18Å; C563-C568 WeakPolarHBondContact CB-O 3.36Å; C563-C568 WeakPolarHBondContact O-CB 3.39Å; C563-C568 PolarHBondContact O-N 3.11Å; C563-T592 HydrophobicContact CB-CG2 3.44Å; C563-T592 VanDerWaalsContact CB-CG2 3.44Å
564	V	98.5	Very high	98.2	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.024	13%	0.129	C	C	.	.	H	α-helix	trans	-62	-42.3	177.3	176	0	0	0	0	111.6	G560 Q561 V566 G567 I591 T592 Y647 E655 A657	G560-V564 WeakPolarHBondContact O-CG2 3.36Å; G560-V564 PolarHBondContact O-N 3.33Å; G560-V564 VanDerWaalsContact O-N 3.09Å; Q561-V564 PolarHBondContact O-N 2.97Å; Q561-V564 VanDerWaalsContact O-N 3.09Å; V564-V566 PolarHBondContact O-N 3.08Å; V564-G567 PolarHBondContact O-N 3.03Å; V564-I591 HydrophobicContact CG2-CG2 4.05Å; V564-I591 WeakPolarHBondContact CG2-O 3.47Å; V564-T592 HydrophobicContact CG2-CG2 4.04Å; V564-Y647 HydrophobicContact CB-CD1 4.26Å; V564-Y647 HydrophobicContact CG1-CD1 3.92Å; V564-Y647 HydrophobicContact CG1-CG 4.45Å; V564-E655 HydrophobicContact CG1-CB 3.71Å; V564-E655 WeakPolarHBondContact CG1-OE2 3.36Å; V564-A657 HydrophobicContact CG2-CB 4.23Å
565	E	96.5	Very high	98.2	Very high	114 Å²	114	17.8 Å²	17.8	53%	0.533	10%	0.097	S	C	.	.	H	α-helix	trans	-57.9	-36.5	177.1	-69.7	175.2	-177.2	0	0	112.7	K344 Q561 T562 C563 G567	K344-E565 PolarHBondContact NZ-O 3.42Å; Q561-E565 WeakPolarHBondContact O-CG 3.43Å; Q561-E565 PolarHBondContact O-N 2.83Å; T562-E565 PolarHBondContact O-N 2.81Å; C563-E565 PolarHBondContact O-N 3.04Å; E565-G567 VanDerWaalsContact C-N 3.33Å
566	V	96.7	Very high	98.1	Very high	22 Å²	22	15.6 Å²	15.6	13%	0.133	9%	0.087	C	C	.	.	H	α-helix	trans	-76.6	-20.5	175.3	175.8	0	0	0	0	112.3	M503 L506 R507 T562 C563 V564 C568	M503-V566 HydrophobicContact CG-CB 4.21Å; M503-V566 HydrophobicContact CG-CG1 4.34Å; M503-V566 HydrophobicContact CG-CG2 4.04Å; M503-V566 HydrophobicContact SD-CG2 4.31Å; L506-V566 HydrophobicContact CB-CG1 4.3Å; R507-V566 HydrophobicContact CB-CG1 3.94Å; R507-V566 HydrophobicContact CB-CG2 4.29Å; R507-V566 HydrophobicContact CG-CG2 4.42Å; R507-V566 VanDerWaalsContact NE-CG2 3.27Å; R507-V566 VanDerWaalsContact NH2-CG2 3.27Å; T562-V566 WeakPolarHBondContact O-CG2 3.38Å; T562-V566 PolarHBondContact O-N 2.86Å; C563-V566 PolarHBondContact O-N 3.27Å; V564-V566 PolarHBondContact O-N 3.08Å; V566-C568 HydrophobicContact CB-CB 4.35Å; V566-C568 HydrophobicContact CG1-CB 4.29Å
567	G	97.5	Very high	97.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	33.3	-168.4	0	0	0	0	0	112.1	S512 G513 C563 V564 E565	S512-G567 CarbonylContact C-O 3.58Å; S512-G567 VanDerWaalsContact CA-O 3.32Å; S512-G567 WeakPolarHBondContact CA-O 3.5Å; S512-G567 VanDerWaalsContact CB-O 3.3Å; S512-G567 WeakPolarHBondContact CB-O 3.47Å; G513-G567 PolarHBondContact N-O 3.36Å; C563-G567 PolarHBondContact O-N 3.25Å; C563-G567 VanDerWaalsContact O-N 3.09Å; V564-G567 PolarHBondContact O-N 3.03Å; E565-G567 VanDerWaalsContact C-N 3.33Å
568	C	98.7	Very high	97.7	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.8	178.4	173.8	0	0	0	0	110	M503 L506 G513 L515 C563 V566 A657	M503-C568 HydrophobicContact CG-CB 4.21Å; L506-C568 HydrophobicContact CD1-CB 3.81Å; G513-C568 WeakPolarHBondContact O-CA 3.43Å; L515-C568 VanDerWaalsContact CG-SG 3.55Å; C563-C568 CarbonylContact C-O 3.58Å; C563-C568 HydrophobicContact CB-CB 4.18Å; C563-C568 WeakPolarHBondContact CB-O 3.36Å; C563-C568 WeakPolarHBondContact O-CB 3.39Å; C563-C568 PolarHBondContact O-N 3.11Å; V566-C568 HydrophobicContact CB-CB 4.35Å; V566-C568 HydrophobicContact CG1-CB 4.29Å; C568-A657 WeakPolarHBondContact O-CB 3.24Å
569	S	98.7	Very high	97.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	147.6	172.1	-169.8	0	0	0	0	110.9	G513 K514 L515 T592 S658	G513-S569 PolarHBondContact O-N 3.39Å; K514-S569 CarbonylContact C-O 3.56Å; K514-S569 VanDerWaalsContact CA-O 3.28Å; K514-S569 WeakPolarHBondContact CA-O 3.15Å; L515-S569 PolarHBondContact N-O 2.8Å; S569-T592 PolarHBondContact OG-O 3Å; S569-S658 VanDerWaalsContact CB-CB 3.44Å; S569-S658 WeakPolarHBondContact CB-OG 3.48Å; S569-S658 PolarHBondContact OG-OG 3.4Å
570	V	98.9	Very high	97.5	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119.9	180	-174.8	0	0	0	0	109.7	I499 L515 V517 V588 P589 T592 G594	I499-V570 HydrophobicContact CD1-CG1 4.36Å; I499-V570 HydrophobicContact CG2-CG2 4.1Å; L515-V570 HydrophobicContact CB-CG1 4.38Å; L515-V570 HydrophobicContact CB-CG2 4.27Å; L515-V570 HydrophobicContact CD1-CG2 4.06Å; L515-V570 HydrophobicContact CG-CG2 4.3Å; V517-V570 HydrophobicContact CG2-CG1 3.68Å; V570-V588 HydrophobicContact CB-CG1 3.78Å; V570-V588 HydrophobicContact CG1-CG1 4.13Å; V570-V588 HydrophobicContact CG2-CG1 3.64Å; V570-P589 WeakPolarHBondContact O-CA 3.17Å; V570-P589 VanDerWaalsContact O-CB 3.28Å; V570-P589 WeakPolarHBondContact O-CB 3.26Å; V570-T592 HydrophobicContact CG2-CG2 4.44Å; V570-T592 PolarHBondContact N-OG1 3.06Å; V570-T592 VanDerWaalsContact N-OG1 3.08Å; V570-G594 WeakPolarHBondContact O-CA 3.14Å
571	D	98.8	Very high	97.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.2	164.9	-73.3	3	0	0	0	109.5	K514 L515 V517 F573 G594 R595 T618	K514-D571 WeakPolarHBondContact CE-OD1 3.35Å; K514-D571 WeakPolarHBondContact CE-OD2 3.08Å; K514-D571 IonicContact NZ-OD1 3.8Å; K514-D571 PolarHBondContact NZ-OD1 3.12Å; K514-D571 IonicContact NZ-OD2 3.01Å; K514-D571 PolarHBondContact NZ-OD2 2.75Å; L515-D571 PolarHBondContact O-N 3.26Å; V517-D571 PolarHBondContact N-O 3.19Å; D571-F573 HydrophobicContact CB-CE2 3.93Å; D571-G594 VanDerWaalsContact OD1-C 3.32Å; D571-G594 WeakPolarHBondContact OD1-CA 3.41Å; D571-R595 WeakPolarHBondContact CA-O 3.48Å; D571-R595 HydrophobicContact CB-CB 4.34Å; D571-R595 PolarHBondContact OD1-N 3Å; D571-T618 WeakPolarHBondContact OD2-CG2 3.34Å
572	L	98.8	Very high	97.5	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.6	-176.6	-172.8	61.1	0	0	0	110.2	L495 V517 H519 L574 L585 P589 R595 L596 F597	L495-L572 HydrophobicContact CD1-CD1 4.45Å; V517-L572 HydrophobicContact CB-CD1 3.82Å; V517-L572 HydrophobicContact CG1-CD1 3.67Å; H519-L572 HydrophobicContact CB-CD1 4.05Å; L572-L574 HydrophobicContact CD1-CD2 3.95Å; L572-L574 HydrophobicContact CD2-CD1 4.28Å; L572-L574 HydrophobicContact CD2-CD2 3.75Å; L572-L574 HydrophobicContact CD2-CG 4.05Å; L572-L574 HydrophobicContact CG-CD2 3.67Å; L572-L574 HydrophobicContact CG-CG 3.88Å; L572-L585 HydrophobicContact CD2-CB 3.98Å; L572-P589 HydrophobicContact CB-CG 4.35Å; L572-R595 PolarHBondContact N-O 3.37Å; L572-L596 HydrophobicContact CB-CD1 3.91Å; L572-L596 HydrophobicContact CD2-CD1 3.91Å; L572-L596 HydrophobicContact CG-CD1 4.05Å; L572-L596 WeakPolarHBondContact O-CA 3.27Å; L572-F597 PolarHBondContact O-N 3.46Å
573	F	98.7	Very high	97.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	103.6	173.8	-64.6	-105.1	0	0	0	107.6	F516 V517 I518 H519 D571 F575 F597 Y599 F611 D614 L615	F516-F573 AromaticContact CD1-CE2 3.6Å; F516-F573 HydrophobicContact CD1-CE2 3.6Å; F516-F573 HydrophobicContact CD1-CZ 4.1Å; F516-F573 HydrophobicContact CE1-CE2 4.18Å; F516-F573 HydrophobicContact CE1-CZ 4.32Å; V517-F573 PolarHBondContact O-N 2.92Å; I518-F573 HydrophobicContact CG1-CB 4.5Å; H519-F573 PolarHBondContact N-O 2.88Å; D571-F573 HydrophobicContact CB-CE2 3.93Å; F573-F575 HydrophobicContact CB-CE2 3.68Å; F573-F575 HydrophobicContact CB-CZ 4.13Å; F573-F575 VanDerWaalsContact O-CD2 3.3Å; F573-F575 WeakPolarHBondContact O-CD2 3.45Å; F573-F575 WeakPolarHBondContact O-CE2 3.09Å; F573-F597 HydrophobicContact CD1-CB 3.84Å; F573-F597 AromaticContact CD1-CD2 3.67Å; F573-F597 HydrophobicContact CD1-CD2 3.67Å; F573-F597 HydrophobicContact CD1-CE2 4.45Å; F573-F597 AromaticContact CD1-CG 3.88Å; F573-F597 HydrophobicContact CD1-CG 3.88Å; F573-F597 HydrophobicContact CD2-CD2 4.33Å; F573-F597 HydrophobicContact CE1-CB 4.28Å; F573-F597 HydrophobicContact CE1-CD1 4.46Å; F573-F597 AromaticContact CE1-CD2 3.35Å; F573-F597 HydrophobicContact CE1-CD2 3.35Å; F573-F597 AromaticContact CE1-CE2 3.68Å; F573-F597 HydrophobicContact CE1-CE2 3.68Å; F573-F597 AromaticContact CE1-CG 3.8Å; F573-F597 HydrophobicContact CE1-CG 3.8Å; F573-F597 HydrophobicContact CE1-CZ 4.38Å; F573-F597 HydrophobicContact CE2-CD2 4.03Å; F573-F597 HydrophobicContact CE2-CE2 4.24Å; F573-F597 HydrophobicContact CG-CB 4.35Å; F573-F597 HydrophobicContact CG-CD2 4.15Å; F573-F597 AromaticContact CZ-CD2 3.54Å; F573-F597 HydrophobicContact CZ-CD2 3.54Å; F573-F597 AromaticContact CZ-CE2 3.55Å; F573-F597 HydrophobicContact CZ-CE2 3.55Å; F573-F597 HydrophobicContact CZ-CG 4.42Å; F573-F597 HydrophobicContact CZ-CZ 4.45Å; F573-Y599 HydrophobicContact CB-CE2 4.46Å; F573-Y599 HydrophobicContact CD1-CE2 4.05Å; F573-F611 HydrophobicContact CB-CE2 4.44Å; F573-F611 AromaticContact CD1-CD2 3.97Å; F573-F611 HydrophobicContact CD1-CD2 3.97Å; F573-F611 AromaticContact CD1-CE2 3.82Å; F573-F611 HydrophobicContact CD1-CE2 3.82Å; F573-F611 HydrophobicContact CE1-CE2 4.41Å; F573-F611 HydrophobicContact CG-CE2 4.25Å; F573-D614 HydrophobicContact CE1-CB 4.27Å; F573-L615 HydrophobicContact CE1-CB 4.33Å; F573-L615 HydrophobicContact CE1-CD1 4.3Å; F573-L615 HydrophobicContact CE2-CD1 4.08Å; F573-L615 HydrophobicContact CZ-CD1 3.78Å
574	L	98.5	Very high	97.4	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.3	-178.1	-64.9	179.4	0	0	0	111.3	H519 L572 P576 V580 I582 L585 L596 F597 K598 Y599	H519-L574 HydrophobicContact CB-CD2 4.16Å; H519-L574 CarbonylContact O-C 3.45Å; H519-L574 WeakPolarHBondContact O-CA 3.38Å; L572-L574 HydrophobicContact CD1-CD2 3.95Å; L572-L574 HydrophobicContact CD2-CD1 4.28Å; L572-L574 HydrophobicContact CD2-CD2 3.75Å; L572-L574 HydrophobicContact CD2-CG 4.05Å; L572-L574 HydrophobicContact CG-CD2 3.67Å; L572-L574 HydrophobicContact CG-CG 3.88Å; L574-P576 VanDerWaalsContact O-CD 3.24Å; L574-P576 WeakPolarHBondContact O-CD 3.29Å; L574-V580 HydrophobicContact CD1-CG2 4.18Å; L574-I582 HydrophobicContact CD1-CD1 3.98Å; L574-I582 HydrophobicContact CD1-CG1 3.85Å; L574-L585 HydrophobicContact CD2-CD1 4.19Å; L574-L596 HydrophobicContact CD1-CD1 3.75Å; L574-L596 HydrophobicContact CG-CD1 4.06Å; L574-F597 WeakPolarHBondContact CB-O 3.38Å; L574-F597 PolarHBondContact N-O 3.07Å; L574-K598 WeakPolarHBondContact O-CA 3.49Å; L574-Y599 WeakPolarHBondContact O-CD2 3.21Å; L574-Y599 PolarHBondContact O-N 3.08Å
575	F	97.8	Very high	97.4	Very high	3 Å²	3	16.4 Å²	16.4	1%	0.013	9%	0.091	C	C	.	.			trans	-119.4	56.7	177.4	-58.4	-94.8	0	0	0	111.6	L369 I518 H519 A520 F573 Y599 F602 F611	L369-F575 HydrophobicContact CD1-CD1 4.1Å; L369-F575 HydrophobicContact CD1-CE1 3.54Å; L369-F575 HydrophobicContact CD1-CE2 4.1Å; L369-F575 HydrophobicContact CD1-CZ 3.54Å; L369-F575 HydrophobicContact CD2-CB 4.21Å; L369-F575 HydrophobicContact CD2-CD1 3.86Å; L369-F575 HydrophobicContact CD2-CD2 3.45Å; L369-F575 VanDerWaalsContact CD2-CD2 3.45Å; L369-F575 HydrophobicContact CD2-CE1 4.06Å; L369-F575 HydrophobicContact CD2-CE2 3.71Å; L369-F575 HydrophobicContact CD2-CG 3.55Å; L369-F575 HydrophobicContact CD2-CZ 3.98Å; L369-F575 HydrophobicContact CG-CE1 4.42Å; L369-F575 HydrophobicContact CG-CZ 4.41Å; I518-F575 HydrophobicContact CB-CE2 4.48Å; I518-F575 HydrophobicContact CG2-CD2 4.15Å; I518-F575 HydrophobicContact CG2-CE2 3.57Å; I518-F575 HydrophobicContact CG2-CZ 4.28Å; H519-F575 PolarHBondContact O-N 3.32Å; A520-F575 CarbonylContact O-C 3.56Å; F573-F575 HydrophobicContact CB-CE2 3.68Å; F573-F575 HydrophobicContact CB-CZ 4.13Å; F573-F575 VanDerWaalsContact O-CD2 3.3Å; F573-F575 WeakPolarHBondContact O-CD2 3.45Å; F573-F575 WeakPolarHBondContact O-CE2 3.09Å; F575-Y599 AromaticContact CD1-CD2 3.81Å; F575-Y599 HydrophobicContact CD1-CD2 3.81Å; F575-Y599 HydrophobicContact CD1-CG 4.19Å; F575-Y599 AromaticContact CE1-CD2 3.42Å; F575-Y599 HydrophobicContact CE1-CD2 3.42Å; F575-Y599 VanDerWaalsContact CE1-CD2 3.42Å; F575-Y599 HydrophobicContact CE1-CE2 4.02Å; F575-Y599 AromaticContact CE1-CG 3.98Å; F575-Y599 HydrophobicContact CE1-CG 3.98Å; F575-Y599 HydrophobicContact CE2-CD2 4.32Å; F575-Y599 HydrophobicContact CG-CD2 4.44Å; F575-Y599 AromaticContact CZ-CD2 3.71Å; F575-Y599 HydrophobicContact CZ-CD2 3.71Å; F575-Y599 AromaticContact CZ-CE2 3.93Å; F575-Y599 HydrophobicContact CZ-CE2 3.93Å; F575-F602 HydrophobicContact CB-CB 4.3Å; F575-F602 HydrophobicContact CD1-CB 3.72Å; F575-F602 AromaticContact CD1-CD1 3.95Å; F575-F602 HydrophobicContact CD1-CD1 3.95Å; F575-F602 AromaticContact CD1-CD2 3.66Å; F575-F602 HydrophobicContact CD1-CD2 3.66Å; F575-F602 HydrophobicContact CD1-CE1 4.49Å; F575-F602 HydrophobicContact CD1-CE2 4.22Å; F575-F602 AromaticContact CD1-CG 3.5Å; F575-F602 HydrophobicContact CD1-CG 3.5Å; F575-F602 HydrophobicContact CE1-CD1 4.38Å; F575-F602 AromaticContact CE1-CD2 3.76Å; F575-F602 HydrophobicContact CE1-CD2 3.76Å; F575-F602 HydrophobicContact CE1-CE1 4.5Å; F575-F602 AromaticContact CE1-CE2 3.88Å; F575-F602 HydrophobicContact CE1-CE2 3.88Å; F575-F602 HydrophobicContact CE1-CG 4.03Å; F575-F602 HydrophobicContact CE1-CZ 4.26Å; F575-F611 HydrophobicContact CE1-CB 4.37Å; F575-F611 HydrophobicContact CE1-CD2 4.12Å; F575-F611 HydrophobicContact CE1-CG 4.1Å; F575-F611 HydrophobicContact CE2-CE2 4.49Å; F575-F611 HydrophobicContact CZ-CD1 4.45Å; F575-F611 AromaticContact CZ-CD2 3.54Å; F575-F611 HydrophobicContact CZ-CD2 3.54Å; F575-F611 AromaticContact CZ-CE2 3.69Å; F575-F611 HydrophobicContact CZ-CE2 3.69Å; F575-F611 AromaticContact CZ-CG 3.94Å; F575-F611 HydrophobicContact CZ-CG 3.94Å; F575-F611 HydrophobicContact CZ-CZ 4.21Å
576	P	95.8	Very high	97.5	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.013	7%	0.069	C	C	.	.			trans	-70.1	134.4	-171.9	30.4	-36	0	0	0	112.1	A520 L574 S578 V580 K598 N600 C601	A520-P576 WeakPolarHBondContact O-CA 3.33Å; L574-P576 VanDerWaalsContact O-CD 3.24Å; L574-P576 WeakPolarHBondContact O-CD 3.29Å; P576-S578 WeakPolarHBondContact CB-O 3.47Å; P576-V580 HydrophobicContact CB-CG1 3.66Å; P576-V580 HydrophobicContact CB-CG2 4.12Å; P576-K598 HydrophobicContact CG-CG 4.04Å; P576-N600 WeakPolarHBondContact CG-OD1 3.46Å; P576-C601 PolarHBondContact O-N 3.05Å
577	N	93.5	Very high	97.6	Very high	84 Å²	84	11.5 Å²	11.5	45%	0.449	7%	0.068	S	C	.	.	S	Bend	trans	-98.7	-8.1	164	-67.6	-36.9	0	0	0	112.2	S363 C601	S363-N577 PolarHBondContact OG-ND2 2.85Å; S363-N577 VanDerWaalsContact OG-ND2 3.11Å; N577-C601 WeakPolarHBondContact OD1-CA 3.18Å
578	S	94.3	Very high	97.6	Very high	80 Å²	80	11.5 Å²	11.5	56%	0.559	7%	0.068	S	C	*	.	S	Bend	trans	-158.9	-173.6	-179.8	61.8	0	0	0	0	109.6	P576 V580	P576-S578 WeakPolarHBondContact CB-O 3.47Å; S578-V580 PolarHBondContact O-N 3.12Å
579	F	96	Very high	97.7	Very high	22 Å²	22	11.6 Å²	11.6	10%	0.096	7%	0.069	C	C	.	.			trans	-55.4	133.4	177.2	173	-103	0	0	0	112.5	N533 R534 D535 D581 I806 D807	N533-F579 WeakPolarHBondContact OD1-CD1 3.42Å; R534-F579 HydrophobicContact CG-CE1 4.33Å; R534-F579 HydrophobicContact CG-CZ 4.11Å; D535-F579 HydrophobicContact CB-CB 4.14Å; D535-F579 HydrophobicContact CB-CD1 3.97Å; D535-F579 HydrophobicContact CB-CD2 3.87Å; D535-F579 HydrophobicContact CB-CE1 4.32Å; D535-F579 HydrophobicContact CB-CE2 4.23Å; D535-F579 HydrophobicContact CB-CG 3.71Å; D535-F579 HydrophobicContact CB-CZ 4.43Å; F579-D581 HydrophobicContact CE1-CB 3.72Å; F579-D581 HydrophobicContact CE2-CB 4.21Å; F579-D581 VanDerWaalsContact CZ-CA 3.43Å; F579-D581 HydrophobicContact CZ-CB 3.45Å; F579-D581 VanDerWaalsContact CZ-CB 3.45Å; F579-I806 HydrophobicContact CD2-CG2 3.96Å; F579-I806 HydrophobicContact CE2-CG2 3.54Å; F579-D807 WeakPolarHBondContact CA-OD2 3.45Å; F579-D807 WeakPolarHBondContact CD2-OD2 3.41Å; F579-D807 WeakPolarHBondContact CE2-OD1 3.28Å
580	V	96.8	Very high	97.6	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.006	8%	0.082	C	C	.	.			trans	-126.8	1.4	-179.1	-64.3	0	0	0	0	114.3	L522 L574 P576 S578 I582 L585 D807	L522-V580 VanDerWaalsContact CD1-C 3.5Å; L522-V580 VanDerWaalsContact CD1-O 3.32Å; L522-V580 WeakPolarHBondContact CD1-O 3.46Å; L574-V580 HydrophobicContact CD1-CG2 4.18Å; P576-V580 HydrophobicContact CB-CG1 3.66Å; P576-V580 HydrophobicContact CB-CG2 4.12Å; S578-V580 PolarHBondContact O-N 3.12Å; V580-I582 HydrophobicContact CG2-CD1 4.47Å; V580-I582 HydrophobicContact CG2-CG1 3.85Å; V580-L585 HydrophobicContact CB-CD1 4.39Å; V580-L585 VanDerWaalsContact O-CD1 3.29Å; V580-L585 WeakPolarHBondContact O-CD1 3.44Å; V580-D807 PolarHBondContact N-OD2 2.66Å
581	D	97.6	Very high	97.6	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.011	8%	0.083	C	C	.	.			trans	60.1	62.1	180	-166.5	12.8	0	0	0	113.7	L522 L531 R534 F579 A583 S584 L585 D807	L522-D581 HydrophobicContact CD1-CB 3.87Å; L531-D581 HydrophobicContact CD1-CB 4.09Å; R534-D581 IonicContact CZ-OD1 3.92Å; R534-D581 IonicContact CZ-OD2 3.08Å; R534-D581 IonicContact NE-OD1 2.93Å; R534-D581 PolarHBondContact NE-OD1 3.24Å; R534-D581 IonicContact NE-OD2 2.82Å; R534-D581 PolarHBondContact NE-OD2 3.16Å; R534-D581 IonicContact NH2-OD1 3.62Å; R534-D581 PolarHBondContact NH2-OD1 3Å; R534-D581 IonicContact NH2-OD2 2.63Å; R534-D581 PolarHBondContact NH2-OD2 3.02Å; F579-D581 HydrophobicContact CE1-CB 3.72Å; F579-D581 HydrophobicContact CE2-CB 4.21Å; F579-D581 VanDerWaalsContact CZ-CA 3.43Å; F579-D581 HydrophobicContact CZ-CB 3.45Å; F579-D581 VanDerWaalsContact CZ-CB 3.45Å; D581-A583 PolarHBondContact O-N 3.13Å; D581-A583 VanDerWaalsContact O-N 3.16Å; D581-S584 VanDerWaalsContact CG-OG 3.29Å; D581-S584 PolarHBondContact O-N 3.01Å; D581-S584 WeakPolarHBondContact OD2-CB 3.41Å; D581-S584 PolarHBondContact OD2-OG 2.93Å; D581-L585 PolarHBondContact O-N 3.4Å; D581-L585 VanDerWaalsContact O-N 3.09Å; D581-D807 WeakPolarHBondContact CA-OD1 3.22Å; D581-D807 PolarHBondContact N-OD1 2.77Å
582	I	98.2	Very high	97.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-57.9	-30.2	178.8	-68.9	-172.2	0	0	0	111.9	L574 V580 S584 L585 A586 L596 K598 D807 C810 W811	L574-I582 HydrophobicContact CD1-CD1 3.98Å; L574-I582 HydrophobicContact CD1-CG1 3.85Å; V580-I582 HydrophobicContact CG2-CD1 4.47Å; V580-I582 HydrophobicContact CG2-CG1 3.85Å; I582-S584 PolarHBondContact O-N 2.87Å; I582-L585 PolarHBondContact O-N 2.92Å; I582-A586 HydrophobicContact CG2-CB 4.08Å; I582-A586 WeakPolarHBondContact O-CB 3.33Å; I582-A586 PolarHBondContact O-N 2.96Å; I582-L596 HydrophobicContact CG2-CD2 3.75Å; I582-K598 HydrophobicContact CD1-CD 3.76Å; I582-K598 HydrophobicContact CD1-CG 4.46Å; I582-D807 HydrophobicContact CB-CB 4.37Å; I582-D807 HydrophobicContact CD1-CB 3.86Å; I582-D807 HydrophobicContact CG1-CB 3.97Å; I582-D807 PolarHBondContact N-OD1 3.16Å; I582-C810 HydrophobicContact CB-CB 4.07Å; I582-C810 HydrophobicContact CG2-CB 3.78Å; I582-W811 HydrophobicContact CD1-CB 4.05Å; I582-W811 HydrophobicContact CG2-CB 4.36Å
583	A	97.7	Very high	97.6	Very high	8 Å²	8	15.3 Å²	15.3	7%	0.066	8%	0.083	C	C	.	.	H	α-helix	trans	-56.8	-36	175.4	0	0	0	0	0	112.8	L548 D581	L548-A583 WeakPolarHBondContact O-CB 3.31Å; D581-A583 PolarHBondContact O-N 3.13Å; D581-A583 VanDerWaalsContact O-N 3.16Å
584	S	98.2	Very high	97.6	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.007	8%	0.083	C	C	.	.	H	α-helix	trans	-83.2	-47.6	175.6	-61	0	0	0	0	111.8	R534 D552 Y556 D581 I582 A586 E587	R534-S584 PolarHBondContact NH2-OG 3.29Å; D552-S584 PolarHBondContact N-OG 3.23Å; Y556-S584 WeakPolarHBondContact CB-O 3.49Å; D581-S584 VanDerWaalsContact CG-OG 3.29Å; D581-S584 PolarHBondContact O-N 3.01Å; D581-S584 WeakPolarHBondContact OD2-CB 3.41Å; D581-S584 PolarHBondContact OD2-OG 2.93Å; I582-S584 PolarHBondContact O-N 2.87Å; S584-A586 VanDerWaalsContact C-N 3.35Å; S584-A586 PolarHBondContact O-N 2.83Å; S584-E587 PolarHBondContact O-N 2.79Å
585	L	98.5	Very high	97.5	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-70.2	-29.6	-172.8	-60.5	-169.2	0	0	0	113.7	L495 P523 L531 Y556 L572 L574 V580 D581 I582 E587 P589	L495-L585 HydrophobicContact CD2-CD1 4.17Å; L495-L585 HydrophobicContact CD2-CD2 3.63Å; L495-L585 HydrophobicContact CD2-CG 4.43Å; P523-L585 HydrophobicContact CG-CD2 4.05Å; L531-L585 HydrophobicContact CD1-CD2 3.61Å; L531-L585 HydrophobicContact CD1-CG 4.18Å; Y556-L585 HydrophobicContact CE1-CD2 4.07Å; Y556-L585 HydrophobicContact CE2-CD2 4.11Å; L572-L585 HydrophobicContact CD2-CB 3.98Å; L574-L585 HydrophobicContact CD2-CD1 4.19Å; V580-L585 HydrophobicContact CB-CD1 4.39Å; V580-L585 VanDerWaalsContact O-CD1 3.29Å; V580-L585 WeakPolarHBondContact O-CD1 3.44Å; D581-L585 PolarHBondContact O-N 3.4Å; D581-L585 VanDerWaalsContact O-N 3.09Å; I582-L585 PolarHBondContact O-N 2.92Å; L585-E587 PolarHBondContact O-N 3.32Å; L585-P589 VanDerWaalsContact O-CD 3.29Å; L585-P589 WeakPolarHBondContact O-CD 3.41Å
586	A	98.3	Very high	97.5	Very high	7 Å²	7	15.4 Å²	15.4	6%	0.058	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.3	-178.6	0	0	0	0	0	113.5	I582 S584 V588 P589 R590 L596 F814	I582-A586 HydrophobicContact CG2-CB 4.08Å; I582-A586 WeakPolarHBondContact O-CB 3.33Å; I582-A586 PolarHBondContact O-N 2.96Å; S584-A586 VanDerWaalsContact C-N 3.35Å; S584-A586 PolarHBondContact O-N 2.83Å; A586-V588 PolarHBondContact O-N 3.36Å; A586-P589 VanDerWaalsContact O-CD 3.3Å; A586-P589 WeakPolarHBondContact O-CD 3.3Å; A586-P589 VanDerWaalsContact O-CG 3.31Å; A586-P589 WeakPolarHBondContact O-CG 3.28Å; A586-R590 WeakPolarHBondContact O-CB 3.37Å; A586-R590 PolarHBondContact O-N 3.43Å; A586-L596 HydrophobicContact CB-CD2 3.85Å; A586-F814 HydrophobicContact CB-CD2 3.84Å; A586-F814 HydrophobicContact CB-CE2 4.36Å
587	E	98.5	Very high	97.6	Very high	25 Å²	25	15.6 Å²	15.6	12%	0.117	8%	0.084	C	C	.	.	H	α-helix	trans	-63.1	-40.6	-177.4	-74	-62.2	102.3	0	0	112.6	P551 V557 S584 L585 R590 I591	P551-E587 HydrophobicContact CB-CG 4.13Å; P551-E587 HydrophobicContact CG-CG 4.2Å; V557-E587 HydrophobicContact CG2-CB 4.24Å; V557-E587 HydrophobicContact CG2-CG 4Å; S584-E587 PolarHBondContact O-N 2.79Å; L585-E587 PolarHBondContact O-N 3.32Å; E587-R590 PolarHBondContact O-N 3.33Å; E587-R590 IonicContact OE1-CZ 3.35Å; E587-R590 IonicContact OE1-NE 2.79Å; E587-R590 PolarHBondContact OE1-NE 3.09Å; E587-R590 IonicContact OE1-NH2 2.97Å; E587-R590 IonicContact OE2-CZ 3.89Å; E587-R590 IonicContact OE2-NE 3.68Å; E587-R590 PolarHBondContact OE2-NE 3.42Å; E587-R590 IonicContact OE2-NH2 3.65Å; E587-R590 PolarHBondContact OE2-NH2 2.74Å; E587-I591 WeakPolarHBondContact O-CB 3.11Å; E587-I591 VanDerWaalsContact O-CG1 3.24Å; E587-I591 WeakPolarHBondContact O-CG1 3.31Å; E587-I591 PolarHBondContact O-N 3.06Å
588	V	98.8	Very high	97.8	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.006	7%	0.067	C	C	.	.	H	α-helix	trans	-63.6	-56.1	177.8	-174.6	0	0	0	0	111.7	I499 Y556 L559 V570 A586 R590 I591 T592	I499-V588 HydrophobicContact CG2-CG1 4.3Å; Y556-V588 HydrophobicContact CD1-CG2 3.76Å; Y556-V588 HydrophobicContact CG-CG2 4.38Å; Y556-V588 WeakPolarHBondContact O-CG2 3.18Å; L559-V588 HydrophobicContact CB-CG2 4.42Å; L559-V588 HydrophobicContact CD2-CG2 4.28Å; L559-V588 HydrophobicContact CG-CG2 4.33Å; V570-V588 HydrophobicContact CB-CG1 3.78Å; V570-V588 HydrophobicContact CG1-CG1 4.13Å; V570-V588 HydrophobicContact CG2-CG1 3.64Å; A586-V588 PolarHBondContact O-N 3.36Å; V588-R590 PolarHBondContact O-N 3.42Å; V588-I591 PolarHBondContact O-N 3.24Å; V588-T592 HydrophobicContact CG1-CG2 4.17Å; V588-T592 VanDerWaalsContact O-CB 3.3Å; V588-T592 WeakPolarHBondContact O-CB 3.06Å; V588-T592 VanDerWaalsContact O-CG2 3.22Å; V588-T592 WeakPolarHBondContact O-CG2 3.44Å; V588-T592 PolarHBondContact O-N 2.87Å; V588-T592 PolarHBondContact O-OG1 3.06Å
589	P	98.7	Very high	97.9	Very high	1 Å²	1	9 Å²	9	1%	0.006	4%	0.041	C	C	.	.	H	α-helix	trans	-62.6	-31.2	176.4	23.3	-32.2	0	0	0	112.1	V570 L572 L585 A586 S593 G594 F814	V570-P589 WeakPolarHBondContact O-CA 3.17Å; V570-P589 VanDerWaalsContact O-CB 3.28Å; V570-P589 WeakPolarHBondContact O-CB 3.26Å; L572-P589 HydrophobicContact CB-CG 4.35Å; L585-P589 VanDerWaalsContact O-CD 3.29Å; L585-P589 WeakPolarHBondContact O-CD 3.41Å; A586-P589 VanDerWaalsContact O-CD 3.3Å; A586-P589 WeakPolarHBondContact O-CD 3.3Å; A586-P589 VanDerWaalsContact O-CG 3.31Å; A586-P589 WeakPolarHBondContact O-CG 3.28Å; P589-S593 PolarHBondContact O-N 3.24Å; P589-G594 PolarHBondContact O-N 2.89Å; P589-F814 HydrophobicContact CB-CE2 4.15Å; P589-F814 HydrophobicContact CB-CZ 4.03Å; P589-F814 HydrophobicContact CG-CE2 4.08Å; P589-F814 HydrophobicContact CG-CZ 4.35Å
590	R	98.4	Very high	97.7	Very high	75 Å²	75	11.4 Å²	11.4	28%	0.283	6%	0.055	S	C	.	.	H	α-helix	trans	-64.1	-50.8	177.7	-175.3	-177.4	73.1	75.1	1	111.1	A586 E587 V588 N645 C646 F814	A586-R590 WeakPolarHBondContact O-CB 3.37Å; A586-R590 PolarHBondContact O-N 3.43Å; E587-R590 PolarHBondContact O-N 3.33Å; E587-R590 IonicContact OE1-CZ 3.35Å; E587-R590 IonicContact OE1-NE 2.79Å; E587-R590 PolarHBondContact OE1-NE 3.09Å; E587-R590 IonicContact OE1-NH2 2.97Å; E587-R590 IonicContact OE2-CZ 3.89Å; E587-R590 IonicContact OE2-NE 3.68Å; E587-R590 PolarHBondContact OE2-NE 3.42Å; E587-R590 IonicContact OE2-NH2 3.65Å; E587-R590 PolarHBondContact OE2-NH2 2.74Å; V588-R590 PolarHBondContact O-N 3.42Å; R590-N645 CarbonylContact O-C 3.59Å; R590-N645 WeakPolarHBondContact O-CA 3.29Å; R590-N645 WeakPolarHBondContact O-CB 3.37Å; R590-C646 PolarHBondContact O-N 3.35Å; R590-F814 HydrophobicContact CB-CD2 4.18Å; R590-F814 HydrophobicContact CB-CE2 3.81Å
591	I	98.6	Very high	97.6	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.021	8%	0.078	C	C	.	.	H	α-helix	trans	-71.1	-39	-177.3	-67.2	167.9	0	0	0	110.5	V557 Q561 V564 E587 V588 S593 C646 Y647	V557-I591 HydrophobicContact CB-CD1 4.32Å; V557-I591 HydrophobicContact CG1-CD1 3.9Å; Q561-I591 HydrophobicContact CG-CG2 4.4Å; V564-I591 HydrophobicContact CG2-CG2 4.05Å; V564-I591 WeakPolarHBondContact CG2-O 3.47Å; E587-I591 WeakPolarHBondContact O-CB 3.11Å; E587-I591 VanDerWaalsContact O-CG1 3.24Å; E587-I591 WeakPolarHBondContact O-CG1 3.31Å; E587-I591 PolarHBondContact O-N 3.06Å; V588-I591 PolarHBondContact O-N 3.24Å; I591-S593 PolarHBondContact O-N 2.87Å; I591-C646 CarbonylContact O-C 3.59Å; I591-Y647 HydrophobicContact CG2-CD2 3.89Å; I591-Y647 HydrophobicContact CG2-CG 4.08Å; I591-Y647 PolarHBondContact O-N 3.45Å
592	T	98.7	Very high	97.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	14.4	-177.5	68.8	0	0	0	0	114.2	G560 C563 V564 S569 V570 V588 G594	G560-T592 WeakPolarHBondContact O-CG2 3.38Å; C563-T592 HydrophobicContact CB-CG2 3.44Å; C563-T592 VanDerWaalsContact CB-CG2 3.44Å; V564-T592 HydrophobicContact CG2-CG2 4.04Å; S569-T592 PolarHBondContact OG-O 3Å; V570-T592 HydrophobicContact CG2-CG2 4.44Å; V570-T592 PolarHBondContact N-OG1 3.06Å; V570-T592 VanDerWaalsContact N-OG1 3.08Å; V588-T592 HydrophobicContact CG1-CG2 4.17Å; V588-T592 VanDerWaalsContact O-CB 3.3Å; V588-T592 WeakPolarHBondContact O-CB 3.06Å; V588-T592 VanDerWaalsContact O-CG2 3.22Å; V588-T592 WeakPolarHBondContact O-CG2 3.44Å; V588-T592 PolarHBondContact O-N 2.87Å; V588-T592 PolarHBondContact O-OG1 3.06Å; T592-G594 PolarHBondContact O-N 2.79Å; T592-G594 VanDerWaalsContact O-N 3.15Å
593	S	98.2	Very high	97.3	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.021	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	28.5	179.9	49.8	0	0	0	0	114.5	P589 I591 N645 L656 A657 S658	P589-S593 PolarHBondContact O-N 3.24Å; I591-S593 PolarHBondContact O-N 2.87Å; S593-N645 WeakPolarHBondContact CA-O 3.27Å; S593-N645 WeakPolarHBondContact CB-O 3.38Å; S593-L656 WeakPolarHBondContact OG-CA 3.29Å; S593-A657 PolarHBondContact OG-N 3.48Å; S593-S658 WeakPolarHBondContact CB-O 3.42Å; S593-S658 PolarHBondContact OG-N 2.78Å; S593-S658 PolarHBondContact OG-O 2.87Å
594	G	97.9	Very high	97.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.			trans	-87.1	-165.5	177.9	0	0	0	0	0	114.2	V570 D571 P589 T592 Q818	V570-G594 WeakPolarHBondContact O-CA 3.14Å; D571-G594 VanDerWaalsContact OD1-C 3.32Å; D571-G594 WeakPolarHBondContact OD1-CA 3.41Å; P589-G594 PolarHBondContact O-N 2.89Å; T592-G594 PolarHBondContact O-N 2.79Å; T592-G594 VanDerWaalsContact O-N 3.15Å; G594-Q818 PolarHBondContact O-NE2 2.91Å
595	R	97.4	Very high	97	Very high	6 Å²	6	26.6 Å²	26.6	2%	0.023	14%	0.14	C	C	.	.			trans	-120.9	152.4	-176.3	-59.8	-72.6	169.7	175.6	-7.1	110.9	D571 L572 F597 T618 D662 Q818	D571-R595 WeakPolarHBondContact CA-O 3.48Å; D571-R595 HydrophobicContact CB-CB 4.34Å; D571-R595 PolarHBondContact OD1-N 3Å; L572-R595 PolarHBondContact N-O 3.37Å; R595-F597 HydrophobicContact CB-CD2 4.19Å; R595-F597 HydrophobicContact CB-CE2 3.5Å; R595-F597 HydrophobicContact CB-CZ 4.17Å; R595-F597 HydrophobicContact CG-CE2 4.29Å; R595-T618 HydrophobicContact CG-CG2 4.42Å; R595-D662 IonicContact CZ-OD1 3.81Å; R595-D662 IonicContact CZ-OD2 2.75Å; R595-D662 IonicContact NE-OD1 3.52Å; R595-D662 IonicContact NE-OD2 2.76Å; R595-D662 IonicContact NH1-OD2 3.55Å; R595-D662 PolarHBondContact NH1-OD2 3.26Å; R595-D662 PolarHBondContact NH2-O 3.16Å; R595-D662 VanDerWaalsContact NH2-O 3.1Å; R595-D662 IonicContact NH2-OD1 3.57Å; R595-D662 PolarHBondContact NH2-OD1 2.85Å; R595-D662 IonicContact NH2-OD2 3.43Å; R595-D662 PolarHBondContact NH2-OD2 3.22Å; R595-Q818 VanDerWaalsContact NE-NE2 3.13Å
596	L	98.2	Very high	96.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	113.1	176.8	-179	65	0	0	0	109.7	L572 L574 I582 A586 W811 F814	L572-L596 HydrophobicContact CB-CD1 3.91Å; L572-L596 HydrophobicContact CD2-CD1 3.91Å; L572-L596 HydrophobicContact CG-CD1 4.05Å; L572-L596 WeakPolarHBondContact O-CA 3.27Å; L574-L596 HydrophobicContact CD1-CD1 3.75Å; L574-L596 HydrophobicContact CG-CD1 4.06Å; I582-L596 HydrophobicContact CG2-CD2 3.75Å; A586-L596 HydrophobicContact CB-CD2 3.85Å; L596-W811 PolarHBondContact O-NE1 2.99Å; L596-W811 VanDerWaalsContact O-NE1 3.12Å; L596-F814 HydrophobicContact CB-CD1 3.73Å; L596-F814 HydrophobicContact CB-CE1 3.48Å; L596-F814 VanDerWaalsContact CB-CE1 3.48Å; L596-F814 HydrophobicContact CB-CE2 4.28Å; L596-F814 HydrophobicContact CB-CG 4.27Å; L596-F814 HydrophobicContact CB-CZ 3.77Å; L596-F814 HydrophobicContact CD2-CB 4.35Å; L596-F814 HydrophobicContact CD2-CD1 4.27Å; L596-F814 HydrophobicContact CD2-CD2 4.31Å; L596-F814 HydrophobicContact CD2-CG 4.06Å
597	F	98	Very high	96.5	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.022	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	145.2	175.6	-61.2	-91.2	0	0	0	109.8	L572 F573 L574 R595 Y599 D614 T618 W930 H931	L572-F597 PolarHBondContact O-N 3.46Å; F573-F597 HydrophobicContact CD1-CB 3.84Å; F573-F597 AromaticContact CD1-CD2 3.67Å; F573-F597 HydrophobicContact CD1-CD2 3.67Å; F573-F597 HydrophobicContact CD1-CE2 4.45Å; F573-F597 AromaticContact CD1-CG 3.88Å; F573-F597 HydrophobicContact CD1-CG 3.88Å; F573-F597 HydrophobicContact CD2-CD2 4.33Å; F573-F597 HydrophobicContact CE1-CB 4.28Å; F573-F597 HydrophobicContact CE1-CD1 4.46Å; F573-F597 AromaticContact CE1-CD2 3.35Å; F573-F597 HydrophobicContact CE1-CD2 3.35Å; F573-F597 AromaticContact CE1-CE2 3.68Å; F573-F597 HydrophobicContact CE1-CE2 3.68Å; F573-F597 AromaticContact CE1-CG 3.8Å; F573-F597 HydrophobicContact CE1-CG 3.8Å; F573-F597 HydrophobicContact CE1-CZ 4.38Å; F573-F597 HydrophobicContact CE2-CD2 4.03Å; F573-F597 HydrophobicContact CE2-CE2 4.24Å; F573-F597 HydrophobicContact CG-CB 4.35Å; F573-F597 HydrophobicContact CG-CD2 4.15Å; F573-F597 AromaticContact CZ-CD2 3.54Å; F573-F597 HydrophobicContact CZ-CD2 3.54Å; F573-F597 AromaticContact CZ-CE2 3.55Å; F573-F597 HydrophobicContact CZ-CE2 3.55Å; F573-F597 HydrophobicContact CZ-CG 4.42Å; F573-F597 HydrophobicContact CZ-CZ 4.45Å; L574-F597 WeakPolarHBondContact CB-O 3.38Å; L574-F597 PolarHBondContact N-O 3.07Å; R595-F597 HydrophobicContact CB-CD2 4.19Å; R595-F597 HydrophobicContact CB-CE2 3.5Å; R595-F597 HydrophobicContact CB-CZ 4.17Å; R595-F597 HydrophobicContact CG-CE2 4.29Å; F597-Y599 HydrophobicContact CB-CE2 3.69Å; F597-D614 HydrophobicContact CD1-CB 3.96Å; F597-D614 HydrophobicContact CE1-CB 3.8Å; F597-D614 HydrophobicContact CZ-CB 4.4Å; F597-T618 WeakPolarHBondContact CE2-OG1 2.91Å; F597-T618 VanDerWaalsContact CZ-OG1 3.23Å; F597-T618 WeakPolarHBondContact CZ-OG1 3.47Å; F597-W930 HydrophobicContact CD1-CZ3 4.34Å; F597-W930 HydrophobicContact CE1-CE3 4.4Å; F597-W930 HydrophobicContact CE1-CH2 4.25Å; F597-W930 AromaticContact CE1-CZ3 3.61Å; F597-W930 HydrophobicContact CE1-CZ3 3.61Å; F597-W930 AromaticContact CZ-CZ3 3.89Å; F597-W930 HydrophobicContact CZ-CZ3 3.89Å; F597-H931 HydrophobicContact CE1-CB 4.02Å
598	K	96.6	Very high	96.4	Very high	22 Å²	22	27.7 Å²	27.7	10%	0.096	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	121.3	-177.9	-177	-176.7	175.8	177.5	0	110.1	L574 P576 I582 N600 D808 W811	L574-K598 WeakPolarHBondContact O-CA 3.49Å; P576-K598 HydrophobicContact CG-CG 4.04Å; I582-K598 HydrophobicContact CD1-CD 3.76Å; I582-K598 HydrophobicContact CD1-CG 4.46Å; K598-N600 WeakPolarHBondContact CE-OD1 3.48Å; K598-D808 IonicContact NZ-OD1 3.83Å; K598-D808 PolarHBondContact NZ-OD1 2.89Å; K598-W811 HydrophobicContact CB-CD2 4.31Å; K598-W811 HydrophobicContact CB-CG 4.39Å; K598-W811 HydrophobicContact CD-CB 4.45Å; K598-W811 HydrophobicContact CD-CD2 4.4Å; K598-W811 HydrophobicContact CD-CG 4.31Å
599	Y	96	Very high	96.2	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.012	17%	0.165	C	C	.	.			trans	-122	90.5	178.2	-49.9	-82.5	0	0	0	109.9	F573 L574 F575 F597 C601 F602 Q610 F611 D614	F573-Y599 HydrophobicContact CB-CE2 4.46Å; F573-Y599 HydrophobicContact CD1-CE2 4.05Å; L574-Y599 WeakPolarHBondContact O-CD2 3.21Å; L574-Y599 PolarHBondContact O-N 3.08Å; F575-Y599 AromaticContact CD1-CD2 3.81Å; F575-Y599 HydrophobicContact CD1-CD2 3.81Å; F575-Y599 HydrophobicContact CD1-CG 4.19Å; F575-Y599 AromaticContact CE1-CD2 3.42Å; F575-Y599 HydrophobicContact CE1-CD2 3.42Å; F575-Y599 VanDerWaalsContact CE1-CD2 3.42Å; F575-Y599 HydrophobicContact CE1-CE2 4.02Å; F575-Y599 AromaticContact CE1-CG 3.98Å; F575-Y599 HydrophobicContact CE1-CG 3.98Å; F575-Y599 HydrophobicContact CE2-CD2 4.32Å; F575-Y599 HydrophobicContact CG-CD2 4.44Å; F575-Y599 AromaticContact CZ-CD2 3.71Å; F575-Y599 HydrophobicContact CZ-CD2 3.71Å; F575-Y599 AromaticContact CZ-CE2 3.93Å; F575-Y599 HydrophobicContact CZ-CE2 3.93Å; F597-Y599 HydrophobicContact CB-CE2 3.69Å; Y599-C601 PolarHBondContact O-N 3.1Å; Y599-F602 HydrophobicContact CG-CD2 4.47Å; Y599-Q610 HydrophobicContact CD1-CG 4.41Å; Y599-Q610 HydrophobicContact CE1-CG 3.89Å; Y599-F611 HydrophobicContact CE1-CB 4.46Å; Y599-F611 HydrophobicContact CE2-CD2 4.18Å; Y599-D614 WeakPolarHBondContact CE1-OD2 3.4Å; Y599-D614 WeakPolarHBondContact OH-CB 3.06Å; Y599-D614 VanDerWaalsContact OH-CG 3.27Å; Y599-D614 PolarHBondContact OH-OD2 2.92Å
600	N	92.8	Very high	96	Very high	74 Å²	74	33 Å²	33	40%	0.396	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	134	179.1	-71.6	-27.9	0	0	0	111.3	P576 K598 F602	P576-N600 WeakPolarHBondContact CG-OD1 3.46Å; K598-N600 WeakPolarHBondContact CE-OD1 3.48Å; N600-F602 VanDerWaalsContact C-N 3.27Å; N600-F602 PolarHBondContact O-N 3.12Å
601	C	93.7	Very high	96	Very high	73 Å²	73	29.4 Å²	29.4	49%	0.493	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	43.6	173.9	-59.3	0	0	0	0	113.4	P576 N577 Y599 Q603	P576-C601 PolarHBondContact O-N 3.05Å; N577-C601 WeakPolarHBondContact OD1-CA 3.18Å; Y599-C601 PolarHBondContact O-N 3.1Å; C601-Q603 PolarHBondContact O-N 3.47Å
602	F	95.7	Very high	96	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.022	16%	0.157	C	C	.	.			trans	-56.2	134.1	-170.9	-179.8	-94.6	0	0	0	113.6	S367 L369 L372 F575 Y599 N600 A604 Q607 F611	S367-F602 WeakPolarHBondContact CB-O 3.41Å; L369-F602 HydrophobicContact CB-CD1 4.24Å; L369-F602 HydrophobicContact CB-CE1 3.91Å; L369-F602 HydrophobicContact CD1-CE1 4Å; L369-F602 HydrophobicContact CD1-CZ 4.19Å; L372-F602 HydrophobicContact CD2-CZ 3.96Å; F575-F602 HydrophobicContact CB-CB 4.3Å; F575-F602 HydrophobicContact CD1-CB 3.72Å; F575-F602 AromaticContact CD1-CD1 3.95Å; F575-F602 HydrophobicContact CD1-CD1 3.95Å; F575-F602 AromaticContact CD1-CD2 3.66Å; F575-F602 HydrophobicContact CD1-CD2 3.66Å; F575-F602 HydrophobicContact CD1-CE1 4.49Å; F575-F602 HydrophobicContact CD1-CE2 4.22Å; F575-F602 AromaticContact CD1-CG 3.5Å; F575-F602 HydrophobicContact CD1-CG 3.5Å; F575-F602 HydrophobicContact CE1-CD1 4.38Å; F575-F602 AromaticContact CE1-CD2 3.76Å; F575-F602 HydrophobicContact CE1-CD2 3.76Å; F575-F602 HydrophobicContact CE1-CE1 4.5Å; F575-F602 AromaticContact CE1-CE2 3.88Å; F575-F602 HydrophobicContact CE1-CE2 3.88Å; F575-F602 HydrophobicContact CE1-CG 4.03Å; F575-F602 HydrophobicContact CE1-CZ 4.26Å; Y599-F602 HydrophobicContact CG-CD2 4.47Å; N600-F602 VanDerWaalsContact C-N 3.27Å; N600-F602 PolarHBondContact O-N 3.12Å; F602-A604 HydrophobicContact CE1-CB 4.02Å; F602-A604 HydrophobicContact CZ-CB 4.38Å; F602-Q607 HydrophobicContact CD2-CB 3.49Å; F602-Q607 VanDerWaalsContact CD2-CB 3.49Å; F602-Q607 HydrophobicContact CD2-CG 4.46Å; F602-Q607 HydrophobicContact CE2-CB 3.48Å; F602-Q607 VanDerWaalsContact CE2-CB 3.48Å; F602-Q607 HydrophobicContact CZ-CB 4.5Å; F602-F611 HydrophobicContact CE2-CB 4Å; F602-F611 HydrophobicContact CZ-CB 4.46Å
603	Q	94.1	Very high	95.8	Very high	99 Å²	99	29.9 Å²	29.9	46%	0.463	16%	0.161	S	C	.	.			trans	-130.8	125.9	168.7	-61.7	178.2	29.5	0	0	108.9	C601 D605 L606 Q607	C601-Q603 PolarHBondContact O-N 3.47Å; Q603-D605 VanDerWaalsContact C-N 3.28Å; Q603-D605 WeakPolarHBondContact CB-OD1 3.28Å; Q603-D605 PolarHBondContact O-N 2.86Å; Q603-L606 HydrophobicContact CB-CB 4.38Å; Q603-L606 HydrophobicContact CB-CD1 4.26Å; Q603-L606 HydrophobicContact CB-CG 4.33Å; Q603-L606 PolarHBondContact O-N 3.1Å; Q603-L606 VanDerWaalsContact O-N 3.11Å; Q603-Q607 PolarHBondContact O-N 2.75Å
604	A	95.9	Very high	95.8	Very high	23 Å²	23	29.8 Å²	29.8	19%	0.19	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-33	-171.8	0	0	0	0	0	114.2	S367 L372 F602 G608	S367-A604 WeakPolarHBondContact O-CB 3.27Å; S367-A604 PolarHBondContact O-N 2.84Å; S367-A604 VanDerWaalsContact O-N 3.07Å; L372-A604 HydrophobicContact CB-CB 4.22Å; L372-A604 HydrophobicContact CD2-CB 4.18Å; F602-A604 HydrophobicContact CE1-CB 4.02Å; F602-A604 HydrophobicContact CZ-CB 4.38Å; A604-G608 WeakPolarHBondContact O-CA 3.29Å; A604-G608 PolarHBondContact O-N 2.77Å
605	D	94.1	Very high	95.8	Very high	131 Å²	131	29.8 Å²	29.8	70%	0.701	16%	0.16	S	C	*	.	H	α-helix	trans	-72	-27.9	178	60.7	-48.3	0	0	0	113.2	Q603	Q603-D605 VanDerWaalsContact C-N 3.28Å; Q603-D605 WeakPolarHBondContact CB-OD1 3.28Å; Q603-D605 PolarHBondContact O-N 2.86Å
606	L	91.8	Very high	95.8	Very high	48 Å²	48	31.5 Å²	31.5	25%	0.251	17%	0.168	S	C	.	.	H	α-helix	trans	-95.8	-44.4	-179.2	-60.7	-179.5	0	0	0	112.8	Q603 Y905	Q603-L606 HydrophobicContact CB-CB 4.38Å; Q603-L606 HydrophobicContact CB-CD1 4.26Å; Q603-L606 HydrophobicContact CB-CG 4.33Å; Q603-L606 PolarHBondContact O-N 3.1Å; Q603-L606 VanDerWaalsContact O-N 3.11Å; L606-Y905 HydrophobicContact CB-CD2 3.77Å; L606-Y905 HydrophobicContact CB-CE2 3.64Å; L606-Y905 HydrophobicContact CB-CG 4.41Å; L606-Y905 HydrophobicContact CD1-CE2 3.93Å; L606-Y905 HydrophobicContact CD2-CD2 4.48Å; L606-Y905 HydrophobicContact CG-CE2 4.25Å; L606-Y905 WeakPolarHBondContact O-CB 3.12Å
607	Q	94.2	Very high	95.6	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.019	18%	0.177	C	C	.	.	H	α-helix	trans	-110.6	-4	-170.6	-73.8	174.5	-89.3	0	0	113.8	F602 Q603 H609 Q610 F611 Y905	F602-Q607 HydrophobicContact CD2-CB 3.49Å; F602-Q607 VanDerWaalsContact CD2-CB 3.49Å; F602-Q607 HydrophobicContact CD2-CG 4.46Å; F602-Q607 HydrophobicContact CE2-CB 3.48Å; F602-Q607 VanDerWaalsContact CE2-CB 3.48Å; F602-Q607 HydrophobicContact CZ-CB 4.5Å; Q603-Q607 PolarHBondContact O-N 2.75Å; Q607-H609 VanDerWaalsContact C-N 3.25Å; Q607-H609 PolarHBondContact O-N 3.4Å; Q607-Q610 WeakPolarHBondContact O-CB 3.32Å; Q607-Q610 PolarHBondContact O-N 3.09Å; Q607-F611 PolarHBondContact O-N 2.77Å; Q607-F611 VanDerWaalsContact O-N 3.11Å; Q607-Y905 HydrophobicContact CB-CE1 4.45Å; Q607-Y905 VanDerWaalsContact CD-CE1 3.4Å; Q607-Y905 HydrophobicContact CG-CD1 3.44Å; Q607-Y905 VanDerWaalsContact CG-CD1 3.44Å; Q607-Y905 HydrophobicContact CG-CE1 3.02Å; Q607-Y905 HydrophobicContact CG-CG 4.37Å
608	G	96.3	Very high	95.5	Very high	4 Å²	4	33.8 Å²	33.8	4%	0.041	18%	0.177	C	C	.	.	H	α-helix	trans	-57.7	-38.2	-174.8	0	0	0	0	0	113.3	A604 F611 L612	A604-G608 WeakPolarHBondContact O-CA 3.29Å; A604-G608 PolarHBondContact O-N 2.77Å; G608-F611 PolarHBondContact O-N 2.92Å; G608-L612 WeakPolarHBondContact O-CB 3.43Å; G608-L612 VanDerWaalsContact O-CG 3.23Å; G608-L612 WeakPolarHBondContact O-CG 3.48Å; G608-L612 PolarHBondContact O-N 3Å
609	H	94.8	Very high	95.5	Very high	88 Å²	88	32.7 Å²	32.7	41%	0.407	17%	0.173	S	C	.	.	H	α-helix	trans	-64.6	-42.4	176.5	-173.6	59.7	0	0	0	112.6	Q607 L612 A613 Y932	Q607-H609 VanDerWaalsContact C-N 3.25Å; Q607-H609 PolarHBondContact O-N 3.4Å; H609-L612 PolarHBondContact O-N 3.32Å; H609-A613 VanDerWaalsContact O-CB 3.23Å; H609-A613 WeakPolarHBondContact O-CB 3.4Å; H609-A613 PolarHBondContact O-N 3.19Å; H609-Y932 AromaticContact CD2-CE2 3.96Å; H609-Y932 AromaticContact CD2-CZ 3.55Å; H609-Y932 PolarHBondContact CD2-OH 3.15Å; H609-Y932 VanDerWaalsContact CD2-OH 3.31Å; H609-Y932 AromaticContact NE2-CE2 3.69Å; H609-Y932 AromaticContact NE2-CZ 3.7Å; H609-Y932 PolarHBondContact NE2-OH 3.48Å
610	Q	95.4	Very high	95.4	Very high	25 Å²	25	35.5 Å²	35.5	12%	0.117	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-52.3	177.4	-177.9	-170.3	1.7	0	0	110.5	Y599 Q607 L612 A613 D614 Y932	Y599-Q610 HydrophobicContact CD1-CG 4.41Å; Y599-Q610 HydrophobicContact CE1-CG 3.89Å; Q607-Q610 WeakPolarHBondContact O-CB 3.32Å; Q607-Q610 PolarHBondContact O-N 3.09Å; Q610-L612 PolarHBondContact O-N 2.63Å; Q610-A613 PolarHBondContact O-N 3.25Å; Q610-D614 PolarHBondContact O-N 2.78Å; Q610-Y932 HydrophobicContact CB-CD1 4.05Å; Q610-Y932 HydrophobicContact CG-CD1 3.9Å; Q610-Y932 HydrophobicContact CG-CG 4.46Å; Q610-Y932 PolarHBondContact NE2-O 3.17Å
611	F	97.5	Very high	95.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.8	-49.3	179.1	162.6	-122.4	0	0	0	112	L369 L372 F373 I518 F573 F575 Y599 F602 Q607 G608 A613 D614 L615	L369-F611 HydrophobicContact CD1-CD1 3.93Å; L369-F611 HydrophobicContact CD1-CE1 3.7Å; L369-F611 HydrophobicContact CD1-CZ 4.18Å; L372-F611 HydrophobicContact CD2-CD1 4.12Å; F373-F611 HydrophobicContact CB-CE1 4.49Å; F373-F611 HydrophobicContact CD2-CE1 4.4Å; F373-F611 HydrophobicContact CD2-CZ 4.17Å; I518-F611 HydrophobicContact CD1-CZ 3.98Å; I518-F611 HydrophobicContact CG1-CZ 4.35Å; F573-F611 HydrophobicContact CB-CE2 4.44Å; F573-F611 AromaticContact CD1-CD2 3.97Å; F573-F611 HydrophobicContact CD1-CD2 3.97Å; F573-F611 AromaticContact CD1-CE2 3.82Å; F573-F611 HydrophobicContact CD1-CE2 3.82Å; F573-F611 HydrophobicContact CE1-CE2 4.41Å; F573-F611 HydrophobicContact CG-CE2 4.25Å; F575-F611 HydrophobicContact CE1-CB 4.37Å; F575-F611 HydrophobicContact CE1-CD2 4.12Å; F575-F611 HydrophobicContact CE1-CG 4.1Å; F575-F611 HydrophobicContact CE2-CE2 4.49Å; F575-F611 HydrophobicContact CZ-CD1 4.45Å; F575-F611 AromaticContact CZ-CD2 3.54Å; F575-F611 HydrophobicContact CZ-CD2 3.54Å; F575-F611 AromaticContact CZ-CE2 3.69Å; F575-F611 HydrophobicContact CZ-CE2 3.69Å; F575-F611 AromaticContact CZ-CG 3.94Å; F575-F611 HydrophobicContact CZ-CG 3.94Å; F575-F611 HydrophobicContact CZ-CZ 4.21Å; Y599-F611 HydrophobicContact CE1-CB 4.46Å; Y599-F611 HydrophobicContact CE2-CD2 4.18Å; F602-F611 HydrophobicContact CE2-CB 4Å; F602-F611 HydrophobicContact CZ-CB 4.46Å; Q607-F611 PolarHBondContact O-N 2.77Å; Q607-F611 VanDerWaalsContact O-N 3.11Å; G608-F611 PolarHBondContact O-N 2.92Å; F611-A613 VanDerWaalsContact C-N 3.33Å; F611-A613 PolarHBondContact O-N 3.08Å; F611-D614 PolarHBondContact O-N 2.8Å; F611-L615 HydrophobicContact CE2-CB 4.38Å; F611-L615 HydrophobicContact CE2-CD2 4.31Å; F611-L615 HydrophobicContact CZ-CD2 4.02Å; F611-L615 WeakPolarHBondContact O-CB 3.37Å; F611-L615 PolarHBondContact O-N 3.21Å
612	L	97.9	Very high	95.6	Very high	5 Å²	5	30 Å²	30	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-39.9	-179.4	-68	171.6	0	0	0	111.4	L372 Q376 I381 G608 H609 Q610 L615 Q616	L372-L612 HydrophobicContact CD1-CD1 3.95Å; L372-L612 HydrophobicContact CD2-CD1 4.44Å; L372-L612 HydrophobicContact CD2-CG 4.47Å; L372-L612 HydrophobicContact CG-CD1 4.2Å; Q376-L612 HydrophobicContact CB-CD1 3.84Å; Q376-L612 HydrophobicContact CB-CD2 4.15Å; Q376-L612 HydrophobicContact CG-CD1 3.96Å; I381-L612 HydrophobicContact CD1-CD2 4.03Å; I381-L612 HydrophobicContact CG1-CD2 4.39Å; G608-L612 WeakPolarHBondContact O-CB 3.43Å; G608-L612 VanDerWaalsContact O-CG 3.23Å; G608-L612 WeakPolarHBondContact O-CG 3.48Å; G608-L612 PolarHBondContact O-N 3Å; H609-L612 PolarHBondContact O-N 3.32Å; Q610-L612 PolarHBondContact O-N 2.63Å; L612-L615 PolarHBondContact O-N 3.16Å; L612-Q616 WeakPolarHBondContact O-CB 3.36Å; L612-Q616 WeakPolarHBondContact O-CG 3.38Å; L612-Q616 PolarHBondContact O-N 2.83Å
613	A	96.4	Very high	95.6	Very high	9 Å²	9	32.1 Å²	32.1	7%	0.074	17%	0.166	C	C	.	.	H	α-helix	trans	-67	-38.9	178.2	0	0	0	0	0	112.7	H609 Q610 F611 R617 Y932	H609-A613 VanDerWaalsContact O-CB 3.23Å; H609-A613 WeakPolarHBondContact O-CB 3.4Å; H609-A613 PolarHBondContact O-N 3.19Å; Q610-A613 PolarHBondContact O-N 3.25Å; F611-A613 VanDerWaalsContact C-N 3.33Å; F611-A613 PolarHBondContact O-N 3.08Å; A613-R617 VanDerWaalsContact O-CB 3.26Å; A613-R617 WeakPolarHBondContact O-CB 3.45Å; A613-R617 PolarHBondContact O-N 2.89Å; A613-Y932 HydrophobicContact CB-CD2 3.37Å; A613-Y932 HydrophobicContact CB-CE2 4.02Å; A613-Y932 HydrophobicContact CB-CG 3.85Å
614	D	97.4	Very high	95.8	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.011	14%	0.144	C	C	.	.	H	α-helix	trans	-63.1	-45.4	172.8	-79.1	-34.3	0	0	0	111.5	F573 F597 Y599 Q610 F611 R617 T618 H931 Y932	F573-D614 HydrophobicContact CE1-CB 4.27Å; F597-D614 HydrophobicContact CD1-CB 3.96Å; F597-D614 HydrophobicContact CE1-CB 3.8Å; F597-D614 HydrophobicContact CZ-CB 4.4Å; Y599-D614 WeakPolarHBondContact CE1-OD2 3.4Å; Y599-D614 WeakPolarHBondContact OH-CB 3.06Å; Y599-D614 VanDerWaalsContact OH-CG 3.27Å; Y599-D614 PolarHBondContact OH-OD2 2.92Å; Q610-D614 PolarHBondContact O-N 2.78Å; F611-D614 PolarHBondContact O-N 2.8Å; D614-R617 PolarHBondContact O-N 3.14Å; D614-T618 VanDerWaalsContact O-CB 3.29Å; D614-T618 WeakPolarHBondContact O-CB 3.4Å; D614-T618 PolarHBondContact O-N 3.11Å; D614-T618 PolarHBondContact O-OG1 3.25Å; D614-H931 WeakPolarHBondContact OD1-CA 3.43Å; D614-H931 WeakPolarHBondContact OD1-CB 3.45Å; D614-Y932 WeakPolarHBondContact OD1-CB 3.28Å; D614-Y932 PolarHBondContact OD1-N 3.19Å
615	L	97.4	Very high	95.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62	-45.9	178.1	-175.1	60	0	0	0	111.6	F356 F373 I381 F516 F573 F611 L612 T618 L619	F356-L615 HydrophobicContact CE1-CD1 4.3Å; F373-L615 HydrophobicContact CD2-CD2 4.17Å; F373-L615 HydrophobicContact CE2-CD2 3.91Å; I381-L615 HydrophobicContact CD1-CB 4.09Å; I381-L615 HydrophobicContact CD1-CD2 3.71Å; I381-L615 HydrophobicContact CD1-CG 3.92Å; I381-L615 HydrophobicContact CG1-CD2 3.88Å; I381-L615 HydrophobicContact CG1-CG 4.47Å; I381-L615 HydrophobicContact CG2-CD2 4.12Å; I381-L615 HydrophobicContact CG2-CG 4.25Å; F516-L615 HydrophobicContact CD1-CD1 3.25Å; F516-L615 HydrophobicContact CE1-CD1 3.64Å; F516-L615 HydrophobicContact CG-CD1 4.16Å; F573-L615 HydrophobicContact CE1-CB 4.33Å; F573-L615 HydrophobicContact CE1-CD1 4.3Å; F573-L615 HydrophobicContact CE2-CD1 4.08Å; F573-L615 HydrophobicContact CZ-CD1 3.78Å; F611-L615 HydrophobicContact CE2-CB 4.38Å; F611-L615 HydrophobicContact CE2-CD2 4.31Å; F611-L615 HydrophobicContact CZ-CD2 4.02Å; F611-L615 WeakPolarHBondContact O-CB 3.37Å; F611-L615 PolarHBondContact O-N 3.21Å; L612-L615 PolarHBondContact O-N 3.16Å; L615-T618 PolarHBondContact O-N 3.43Å; L615-L619 PolarHBondContact O-N 3.23Å
616	Q	96.7	Very high	96.1	Very high	42 Å²	42	21.6 Å²	21.6	20%	0.196	11%	0.11	C	C	.	.	H	α-helix	trans	-55.6	-53.6	173.5	-75.5	174	-26.7	0	0	111.4	R380 I381 L612 T618 L619 T620	R380-Q616 VanDerWaalsContact O-CG 3.23Å; R380-Q616 WeakPolarHBondContact O-CG 3.29Å; R380-Q616 PolarHBondContact O-NE2 2.94Å; I381-Q616 HydrophobicContact CD1-CG 3.74Å; L612-Q616 WeakPolarHBondContact O-CB 3.36Å; L612-Q616 WeakPolarHBondContact O-CG 3.38Å; L612-Q616 PolarHBondContact O-N 2.83Å; Q616-T618 VanDerWaalsContact C-N 3.28Å; Q616-T618 PolarHBondContact O-N 3.12Å; Q616-L619 WeakPolarHBondContact O-CB 3.36Å; Q616-L619 PolarHBondContact O-N 2.96Å; Q616-L619 VanDerWaalsContact O-N 3.14Å; Q616-T620 WeakPolarHBondContact O-CG2 3.43Å; Q616-T620 PolarHBondContact O-N 3.4Å; Q616-T620 PolarHBondContact O-OG1 2.7Å
617	R	95.3	Very high	96.4	Very high	46 Å²	46	19.4 Å²	19.4	17%	0.174	10%	0.099	C	C	.	.	H	α-helix	trans	-62.4	-38.6	-176.3	-175.5	171.7	-64.6	-171.4	2.7	112.3	A613 D614 L619 T620 N621 R926 R929 W930 H931	A613-R617 VanDerWaalsContact O-CB 3.26Å; A613-R617 WeakPolarHBondContact O-CB 3.45Å; A613-R617 PolarHBondContact O-N 2.89Å; D614-R617 PolarHBondContact O-N 3.14Å; R617-L619 VanDerWaalsContact C-N 3.3Å; R617-L619 PolarHBondContact O-N 2.92Å; R617-T620 WeakPolarHBondContact CA-OG1 3.48Å; R617-T620 PolarHBondContact O-N 3.24Å; R617-T620 PolarHBondContact O-OG1 3.48Å; R617-N621 VanDerWaalsContact O-CB 3.25Å; R617-N621 WeakPolarHBondContact O-CB 3.3Å; R617-N621 PolarHBondContact O-N 3.08Å; R617-N621 PolarHBondContact O-OD1 2.85Å; R617-R926 VanDerWaalsContact CZ-O 3.3Å; R617-R926 PolarHBondContact NH1-O 3.06Å; R617-R926 PolarHBondContact NH2-O 3.14Å; R617-R929 PolarHBondContact NH1-O 2.87Å; R617-W930 WeakPolarHBondContact CD-O 3.36Å; R617-H931 VanDerWaalsContact NH1-C 3.34Å; R617-H931 PolarHBondContact NH1-O 3.23Å
618	T	95.8	Very high	96.6	Very high	6 Å²	6	21 Å²	21	4%	0.037	11%	0.108	C	C	.	.	H	α-helix	trans	-63.4	-38.1	177.8	-59.2	0	0	0	0	111.5	F516 D571 R595 F597 D614 L615 Q616	F516-T618 HydrophobicContact CE1-CG2 3.61Å; F516-T618 HydrophobicContact CZ-CG2 4.02Å; D571-T618 WeakPolarHBondContact OD2-CG2 3.34Å; R595-T618 HydrophobicContact CG-CG2 4.42Å; F597-T618 WeakPolarHBondContact CE2-OG1 2.91Å; F597-T618 VanDerWaalsContact CZ-OG1 3.23Å; F597-T618 WeakPolarHBondContact CZ-OG1 3.47Å; D614-T618 VanDerWaalsContact O-CB 3.29Å; D614-T618 WeakPolarHBondContact O-CB 3.4Å; D614-T618 PolarHBondContact O-N 3.11Å; D614-T618 PolarHBondContact O-OG1 3.25Å; L615-T618 PolarHBondContact O-N 3.43Å; Q616-T618 VanDerWaalsContact C-N 3.28Å; Q616-T618 PolarHBondContact O-N 3.12Å
619	L	96	Very high	96.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.8	-46.6	173.2	-73.3	168.1	0	0	0	112.3	I354 F356 I381 L385 F516 L615 Q616 R617 N621 L622	I354-L619 HydrophobicContact CD1-CD2 3.64Å; I354-L619 HydrophobicContact CG2-CD2 4.42Å; F356-L619 HydrophobicContact CZ-CD1 4.49Å; I381-L619 HydrophobicContact CG2-CD1 3.39Å; L385-L619 HydrophobicContact CD2-CD2 4.29Å; F516-L619 HydrophobicContact CE1-CD2 4.26Å; F516-L619 HydrophobicContact CE1-CG 4.24Å; F516-L619 HydrophobicContact CE2-CD2 3.59Å; F516-L619 HydrophobicContact CE2-CG 4.42Å; F516-L619 HydrophobicContact CZ-CD2 3.41Å; F516-L619 VanDerWaalsContact CZ-CD2 3.41Å; F516-L619 HydrophobicContact CZ-CG 3.81Å; L615-L619 PolarHBondContact O-N 3.23Å; Q616-L619 WeakPolarHBondContact O-CB 3.36Å; Q616-L619 PolarHBondContact O-N 2.96Å; Q616-L619 VanDerWaalsContact O-N 3.14Å; R617-L619 VanDerWaalsContact C-N 3.3Å; R617-L619 PolarHBondContact O-N 2.92Å; L619-N621 VanDerWaalsContact C-N 3.27Å; L619-N621 PolarHBondContact O-N 2.89Å; L619-L622 WeakPolarHBondContact O-CB 3.37Å; L619-L622 PolarHBondContact O-N 3.21Å
620	T	93.9	Very high	96.8	Very high	61 Å²	61	20.6 Å²	20.6	37%	0.374	10%	0.102	S	C	.	.	H	α-helix	trans	-65.5	-31.6	-178.8	57.4	0	0	0	0	112.8	N384 Q616 R617 L622	N384-T620 HydrophobicContact CB-CG2 3.82Å; Q616-T620 WeakPolarHBondContact O-CG2 3.43Å; Q616-T620 PolarHBondContact O-N 3.4Å; Q616-T620 PolarHBondContact O-OG1 2.7Å; R617-T620 WeakPolarHBondContact CA-OG1 3.48Å; R617-T620 PolarHBondContact O-N 3.24Å; R617-T620 PolarHBondContact O-OG1 3.48Å; T620-L622 VanDerWaalsContact C-N 3.31Å
621	N	94.5	Very high	97	Very high	30 Å²	30	19.8 Å²	19.8	16%	0.16	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-9.3	-178.9	-71.7	-1.4	0	0	0	113.2	R617 L619 Q623 S660 S661	R617-N621 VanDerWaalsContact O-CB 3.25Å; R617-N621 WeakPolarHBondContact O-CB 3.3Å; R617-N621 PolarHBondContact O-N 3.08Å; R617-N621 PolarHBondContact O-OD1 2.85Å; L619-N621 VanDerWaalsContact C-N 3.27Å; L619-N621 PolarHBondContact O-N 2.89Å; N621-Q623 WeakPolarHBondContact O-CG 3.34Å; N621-Q623 PolarHBondContact O-N 2.78Å; N621-S660 CarbonylContact O-C 3.59Å; N621-S660 WeakPolarHBondContact O-CA 3.31Å; N621-S660 WeakPolarHBondContact O-CB 3.08Å; N621-S661 PolarHBondContact O-N 3.2Å
622	L	96.4	Very high	97	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	121.2	-178.5	-170.8	59	0	0	0	110.9	I354 P386 K514 L619 T620 F625	I354-L622 HydrophobicContact CD1-CD2 4.39Å; P386-L622 HydrophobicContact CB-CB 4.47Å; P386-L622 HydrophobicContact CG-CB 4.19Å; P386-L622 HydrophobicContact CG-CD2 4.19Å; P386-L622 HydrophobicContact CG-CG 4.5Å; K514-L622 HydrophobicContact CD-CD1 3.98Å; K514-L622 HydrophobicContact CD-CD2 3.87Å; L619-L622 WeakPolarHBondContact O-CB 3.37Å; L619-L622 PolarHBondContact O-N 3.21Å; T620-L622 VanDerWaalsContact C-N 3.31Å; L622-F625 HydrophobicContact CD1-CZ 4.41Å; L622-F625 HydrophobicContact CD2-CE1 4.05Å; L622-F625 HydrophobicContact CD2-CE2 3.97Å; L622-F625 HydrophobicContact CD2-CZ 3.34Å; L622-F625 HydrophobicContact CG-CE2 4.1Å; L622-F625 HydrophobicContact CG-CZ 3.93Å
623	Q	96.1	Very high	97	Very high	49 Å²	49	22.1 Å²	22.1	23%	0.229	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-35.5	-171.8	-61.1	-65.4	-56.1	0	0	113.3	F252 N621 V659	F252-Q623 HydrophobicContact CB-CB 4.04Å; F252-Q623 HydrophobicContact CB-CG 3.87Å; F252-Q623 HydrophobicContact CD1-CB 3.62Å; F252-Q623 HydrophobicContact CD1-CG 4.18Å; F252-Q623 HydrophobicContact CE1-CB 4.31Å; F252-Q623 HydrophobicContact CG-CB 3.95Å; F252-Q623 HydrophobicContact CG-CG 4.32Å; N621-Q623 WeakPolarHBondContact O-CG 3.34Å; N621-Q623 PolarHBondContact O-N 2.78Å; Q623-V659 PolarHBondContact N-O 3.16Å
624	A	97.5	Very high	97.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	160.7	-169.1	0	0	0	0	0	112.9	F252 S658 V659 Y689	F252-A624 HydrophobicContact CE1-CB 4.33Å; F252-A624 HydrophobicContact CE2-CB 4.42Å; F252-A624 HydrophobicContact CZ-CB 4.03Å; A624-S658 CarbonylContact O-C 3.58Å; A624-S658 VanDerWaalsContact O-CA 3.29Å; A624-S658 WeakPolarHBondContact O-CA 3.35Å; A624-V659 HydrophobicContact CB-CB 4.08Å; A624-V659 HydrophobicContact CB-CG2 4.23Å; A624-V659 PolarHBondContact N-O 2.78Å; A624-V659 PolarHBondContact O-N 3.34Å; A624-Y689 HydrophobicContact CB-CD2 3.2Å; A624-Y689 HydrophobicContact CB-CE2 3.86Å; A624-Y689 HydrophobicContact CB-CG 3.75Å
625	F	98.4	Very high	97	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.7	179.8	-66.2	-99	0	0	0	111.6	P352 K514 L622 A627 A657 T690 V692	P352-F625 HydrophobicContact CB-CD1 3.92Å; P352-F625 HydrophobicContact CB-CD2 3.67Å; P352-F625 HydrophobicContact CB-CE1 3.87Å; P352-F625 HydrophobicContact CB-CE2 3.66Å; P352-F625 HydrophobicContact CB-CG 3.79Å; P352-F625 HydrophobicContact CB-CZ 3.72Å; P352-F625 HydrophobicContact CG-CD2 3.51Å; P352-F625 HydrophobicContact CG-CE1 4.47Å; P352-F625 HydrophobicContact CG-CE2 3.35Å; P352-F625 HydrophobicContact CG-CG 4.16Å; P352-F625 HydrophobicContact CG-CZ 3.85Å; K514-F625 HydrophobicContact CB-CE1 3.85Å; L622-F625 HydrophobicContact CD1-CZ 4.41Å; L622-F625 HydrophobicContact CD2-CE1 4.05Å; L622-F625 HydrophobicContact CD2-CE2 3.97Å; L622-F625 HydrophobicContact CD2-CZ 3.34Å; L622-F625 HydrophobicContact CG-CE2 4.1Å; L622-F625 HydrophobicContact CG-CZ 3.93Å; F625-A627 VanDerWaalsContact C-N 3.29Å; F625-A627 PolarHBondContact O-N 2.96Å; F625-A657 WeakPolarHBondContact CA-O 3.47Å; F625-T690 PolarHBondContact N-O 3.45Å; F625-T690 PolarHBondContact O-N 2.93Å; F625-V692 HydrophobicContact CE2-CG1 4.15Å
626	N	97.6	Very high	97	Very high	33 Å²	33	26.2 Å²	26.2	18%	0.176	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	45.8	54.2	174	-174.3	25	0	0	0	111.9	A657 R696	N626-A657 PolarHBondContact N-O 2.85Å; N626-R696 PolarHBondContact O-NH1 3.08Å; N626-R696 PolarHBondContact O-NH2 3.48Å; N626-R696 VanDerWaalsContact O-NH2 3.16Å
627	A	98.2	Very high	97	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.017	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	146.9	-171.6	0	0	0	0	0	112	F625 L656 V659 L688	F625-A627 VanDerWaalsContact C-N 3.29Å; F625-A627 PolarHBondContact O-N 2.96Å; A627-L656 WeakPolarHBondContact CA-O 3.46Å; A627-L656 HydrophobicContact CB-CB 4.16Å; A627-L656 PolarHBondContact N-O 2.86Å; A627-L656 PolarHBondContact O-N 2.8Å; A627-V659 HydrophobicContact CB-CG2 3.6Å; A627-L688 CarbonylContact C-O 3.58Å; A627-L688 WeakPolarHBondContact CA-O 3.39Å
628	V	98.3	Very high	97.1	Very high	37 Å²	37	28.9 Å²	28.9	22%	0.224	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	115.2	172.9	-174.8	0	0	0	0	107.8	D653 V654 E655 C687 L688	V628-D653 HydrophobicContact CG1-CB 3.91Å; V628-V654 CarbonylContact C-O 3.56Å; V628-V654 WeakPolarHBondContact CA-O 3.46Å; V628-E655 HydrophobicContact CG2-CG 4.26Å; V628-C687 WeakPolarHBondContact O-CA 3.35Å; V628-L688 PolarHBondContact N-O 2.81Å; V628-L688 PolarHBondContact O-N 3.31Å
629	M	98.6	Very high	97.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	135.3	176.4	-175.3	-172.9	72	0	0	110.2	I249 V654 L656 I665 V685 A686 C687	I249-M629 HydrophobicContact CD1-CE 4.4Å; I249-M629 HydrophobicContact CG2-SD 3.84Å; M629-V654 HydrophobicContact CB-CB 4.23Å; M629-V654 HydrophobicContact CE-CB 4.06Å; M629-V654 HydrophobicContact CE-CG1 4.25Å; M629-V654 HydrophobicContact CE-CG2 3.91Å; M629-V654 PolarHBondContact N-O 3.34Å; M629-V654 PolarHBondContact O-N 3.26Å; M629-L656 HydrophobicContact CB-CD1 4.47Å; M629-I665 HydrophobicContact CE-CB 3.72Å; M629-I665 HydrophobicContact CE-CG1 4.02Å; M629-I665 HydrophobicContact CE-CG2 3.66Å; M629-V685 HydrophobicContact CG-CG1 3.74Å; M629-V685 HydrophobicContact SD-CG1 3.8Å; M629-A686 CarbonylContact C-O 3.46Å; M629-A686 WeakPolarHBondContact CA-O 3.48Å; M629-C687 HydrophobicContact CB-CB 4.5Å
630	R	98.2	Very high	97.2	Very high	83 Å²	83	32 Å²	32	31%	0.313	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	130.9	175.1	-172.2	168.9	-176.5	130.6	0.2	111	T652 D653 A686	R630-T652 PolarHBondContact NH1-OG1 3.21Å; R630-D653 WeakPolarHBondContact CD-OD1 3.5Å; R630-D653 IonicContact CZ-OD1 2.83Å; R630-D653 IonicContact NE-OD1 2.77Å; R630-D653 IonicContact NH1-OD1 3.23Å; R630-D653 PolarHBondContact NH1-OD1 3.46Å; R630-D653 IonicContact NH1-OD2 3.48Å; R630-A686 PolarHBondContact N-O 3.49Å; R630-A686 PolarHBondContact O-N 3.31Å
631	V	98.6	Very high	97.3	Very high	8 Å²	8	31.4 Å²	31.4	5%	0.048	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	117.7	175.1	-174	0	0	0	0	108.8	L247 I249 P639 F642 I683 V685	L247-V631 HydrophobicContact CD1-CG1 4.46Å; I249-V631 HydrophobicContact CD1-CG2 3.64Å; V631-P639 HydrophobicContact CB-CG 4.32Å; V631-F642 HydrophobicContact CB-CE1 4.46Å; V631-F642 HydrophobicContact CB-CZ 4.47Å; V631-F642 HydrophobicContact CG2-CE1 3.79Å; V631-F642 HydrophobicContact CG2-CZ 4.25Å; V631-I683 HydrophobicContact CG1-CG2 4.05Å; V631-V685 HydrophobicContact CG1-CG2 4.47Å; V631-V685 HydrophobicContact CG2-CG2 4.23Å
632	R	98.3	Very high	97.5	Very high	31 Å²	31	30.4 Å²	30.4	12%	0.117	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	144.7	173.4	-64.6	-178.7	177.9	74	2.6	109.4	L299 I683 Q684	L299-R632 HydrophobicContact CD2-CB 3.68Å; R632-I683 CarbonylContact O-C 3.51Å; R632-I683 WeakPolarHBondContact O-CA 3.34Å; R632-Q684 HydrophobicContact CB-CB 4.48Å; R632-Q684 PolarHBondContact N-O 3.45Å; R632-Q684 PolarHBondContact O-N 3.14Å
633	T	98.3	Very high	97.6	Very high	24 Å²	24	30.6 Å²	30.6	15%	0.147	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	161.2	-175.8	46.9	0	0	0	0	110.4	I637 L669 F682 I683	T633-I637 WeakPolarHBondContact CB-O 3.47Å; T633-I637 HydrophobicContact CG2-CG2 4.23Å; T633-I637 PolarHBondContact OG1-O 2.87Å; T633-L669 HydrophobicContact CG2-CD2 3.81Å; T633-F682 CarbonylContact C-O 3.59Å; T633-F682 VanDerWaalsContact CA-O 3.24Å; T633-F682 WeakPolarHBondContact CA-O 3.34Å; T633-I683 HydrophobicContact CG2-CG1 4.23Å
634	S	97.7	Very high	97.7	Very high	8 Å²	8	28.5 Å²	28.5	6%	0.056	14%	0.142	C	C	.	.			trans	-68	159.5	166.2	56.6	0	0	0	0	111.6	L299 I637 V681 F682	L299-S634 CarbonylContact O-C 3.55Å; L299-S634 VanDerWaalsContact O-CA 3.23Å; L299-S634 WeakPolarHBondContact O-CA 3.32Å; S634-I637 PolarHBondContact O-N 3.18Å; S634-V681 WeakPolarHBondContact OG-CA 3.47Å; S634-F682 PolarHBondContact N-O 3.37Å; S634-F682 PolarHBondContact OG-N 2.91Å
635	T	96.2	Very high	97.7	Very high	87 Å²	87	28.6 Å²	28.6	53%	0.534	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	139	176.8	-55.4	0	0	0	0	110.3	L299	L299-T635 PolarHBondContact O-N 3.5Å; L299-T635 PolarHBondContact O-OG1 2.83Å; L299-T635 VanDerWaalsContact O-OG1 3.13Å
636	G	96.2	Very high	97.6	Very high	1 Å²	1	29 Å²	29	1%	0.01	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.8	-14.8	-178.5	0	0	0	0	0	114.1	H671 D672 D673	G636-H671 VanDerWaalsContact O-CA 3.25Å; G636-H671 WeakPolarHBondContact O-CA 3.21Å; G636-D672 WeakPolarHBondContact CA-OD1 3.43Å; G636-D672 PolarHBondContact N-OD1 2.93Å; G636-D672 PolarHBondContact O-N 3.34Å; G636-D672 VanDerWaalsContact O-OD1 3.13Å; G636-D673 PolarHBondContact O-N 3.45Å
637	I	97.3	Very high	97.7	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.1	175.3	-66.1	-72	0	0	0	110.3	V231 F245 T633 S634 L669 R670 H671 D672 L675 V681	V231-I637 HydrophobicContact CG1-CD1 4.33Å; F245-I637 HydrophobicContact CD1-CD1 4.25Å; F245-I637 HydrophobicContact CD1-CG2 4.31Å; F245-I637 HydrophobicContact CE1-CD1 4.43Å; F245-I637 HydrophobicContact CE1-CG1 4.5Å; F245-I637 HydrophobicContact CE1-CG2 4.04Å; T633-I637 WeakPolarHBondContact CB-O 3.47Å; T633-I637 HydrophobicContact CG2-CG2 4.23Å; T633-I637 PolarHBondContact OG1-O 2.87Å; S634-I637 PolarHBondContact O-N 3.18Å; I637-L669 HydrophobicContact CG2-CB 3.83Å; I637-L669 HydrophobicContact CG2-CD2 3.77Å; I637-L669 HydrophobicContact CG2-CG 4.26Å; I637-R670 WeakPolarHBondContact CA-O 3.4Å; I637-H671 HydrophobicContact CD1-CB 4.39Å; I637-D672 PolarHBondContact N-OD1 3.32Å; I637-D672 VanDerWaalsContact N-OD1 3.14Å; I637-L675 HydrophobicContact CD1-CD1 4.04Å; I637-L675 HydrophobicContact CG1-CD1 3.84Å; I637-L675 HydrophobicContact CG1-CD2 4.14Å; I637-L675 HydrophobicContact CG1-CG 4.43Å; I637-V681 HydrophobicContact CG1-CG1 4.42Å; I637-V681 HydrophobicContact CG1-CG2 4.26Å
638	R	97.3	Very high	97.6	Very high	142 Å²	142	32.6 Å²	32.6	54%	0.536	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	151.1	168.8	66.5	-176.9	-177.1	177.5	0	113.2	V640 L669 R670	R638-V640 HydrophobicContact CG-CG1 4.12Å; R638-L669 WeakPolarHBondContact O-CA 3.5Å; R638-R670 PolarHBondContact N-O 3.41Å; R638-R670 PolarHBondContact O-N 3.45Å
639	P	97.7	Very high	97.4	Very high	23 Å²	23	33.4 Å²	33.4	15%	0.149	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	140.7	165.6	29.8	-34.2	0	0	0	110.1	V631 F642 E668	V631-P639 HydrophobicContact CB-CG 4.32Å; P639-F642 HydrophobicContact CB-CE2 4.19Å; P639-F642 HydrophobicContact CB-CZ 3.78Å; P639-F642 HydrophobicContact CG-CZ 4.26Å; P639-E668 CarbonylContact C-O 3.09Å; P639-E668 WeakPolarHBondContact CA-O 3.22Å
640	V	96.8	Very high	97.3	Very high	48 Å²	48	36.5 Å²	36.5	29%	0.291	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	-25.9	-178.3	-65.1	0	0	0	0	113.7	R638 E668 R670	R638-V640 HydrophobicContact CG-CG1 4.12Å; V640-E668 HydrophobicContact CG2-CB 4.23Å; V640-E668 HydrophobicContact CG2-CG 4.17Å; V640-E668 WeakPolarHBondContact CG2-O 3.46Å; V640-E668 PolarHBondContact N-O 2.93Å; V640-R670 HydrophobicContact CG1-CB 3.95Å; V640-R670 HydrophobicContact CG1-CG 4.14Å; V640-R670 HydrophobicContact CG2-CB 4.37Å; V640-R670 HydrophobicContact CG2-CG 3.7Å
641	E	96.2	Very high	97	Very high	49 Å²	49	38.1 Å²	38.1	23%	0.229	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	146.1	-177.9	-165.7	166.5	-176.3	0	0	109.7	F643 A667 E668 R733	E641-F643 HydrophobicContact CB-CE2 4.18Å; E641-F643 HydrophobicContact CB-CZ 4.36Å; E641-F643 HydrophobicContact CG-CE1 4.25Å; E641-F643 HydrophobicContact CG-CE2 3.81Å; E641-F643 HydrophobicContact CG-CZ 3.62Å; E641-F643 WeakPolarHBondContact OE1-CZ 3.4Å; E641-A667 CarbonylContact O-C 3.56Å; E641-A667 WeakPolarHBondContact O-CA 3.39Å; E641-E668 HydrophobicContact CB-CB 4.28Å; E641-E668 PolarHBondContact O-N 3.5Å; E641-R733 IonicContact OE1-CZ 3.75Å; E641-R733 IonicContact OE1-NH1 2.93Å; E641-R733 PolarHBondContact OE1-NH1 2.86Å
642	F	98	Very high	96.8	Very high	10 Å²	10	40 Å²	40	4%	0.044	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.5	178	-65.8	-89.9	0	0	0	109.6	V631 P639 L648 V654 I665 T666 A667	V631-F642 HydrophobicContact CB-CE1 4.46Å; V631-F642 HydrophobicContact CB-CZ 4.47Å; V631-F642 HydrophobicContact CG2-CE1 3.79Å; V631-F642 HydrophobicContact CG2-CZ 4.25Å; P639-F642 HydrophobicContact CB-CE2 4.19Å; P639-F642 HydrophobicContact CB-CZ 3.78Å; P639-F642 HydrophobicContact CG-CZ 4.26Å; F642-L648 HydrophobicContact CB-CD1 3.98Å; F642-L648 HydrophobicContact CB-CD2 4.08Å; F642-L648 HydrophobicContact CD2-CD2 4.3Å; F642-L648 HydrophobicContact CG-CD2 4.33Å; F642-V654 HydrophobicContact CD1-CG2 3.64Å; F642-V654 HydrophobicContact CD2-CG2 4.28Å; F642-V654 HydrophobicContact CE1-CG2 3.77Å; F642-V654 HydrophobicContact CE2-CG2 4.39Å; F642-V654 HydrophobicContact CG-CG2 3.9Å; F642-V654 HydrophobicContact CZ-CG2 4.15Å; F642-I665 HydrophobicContact CB-CG2 4.4Å; F642-I665 HydrophobicContact CD1-CG2 3.96Å; F642-T666 CarbonylContact C-O 3.54Å; F642-T666 WeakPolarHBondContact CA-O 3.21Å; F642-A667 HydrophobicContact CD1-CB 3.74Å; F642-A667 HydrophobicContact CE1-CB 3.65Å; F642-A667 HydrophobicContact CZ-CB 4.49Å
643	F	97.9	Very high	96.8	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.022	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.8	178.1	-54	-91	0	0	0	109.3	E641 I665 T666 E668 W726 K729 Y730	E641-F643 HydrophobicContact CB-CE2 4.18Å; E641-F643 HydrophobicContact CB-CZ 4.36Å; E641-F643 HydrophobicContact CG-CE1 4.25Å; E641-F643 HydrophobicContact CG-CE2 3.81Å; E641-F643 HydrophobicContact CG-CZ 3.62Å; E641-F643 WeakPolarHBondContact OE1-CZ 3.4Å; F643-I665 CarbonylContact O-C 3.51Å; F643-I665 WeakPolarHBondContact O-CA 3.4Å; F643-T666 PolarHBondContact N-O 2.85Å; F643-T666 PolarHBondContact O-N 2.62Å; F643-E668 HydrophobicContact CE2-CB 4.48Å; F643-W726 AromaticContact CE2-CD1 3.95Å; F643-W726 AromaticContact CE2-NE1 3.8Å; F643-K729 HydrophobicContact CB-CB 3.78Å; F643-K729 HydrophobicContact CB-CD 3.7Å; F643-K729 HydrophobicContact CB-CG 4.34Å; F643-K729 HydrophobicContact CD1-CB 4.12Å; F643-K729 HydrophobicContact CG-CB 4.04Å; F643-Y730 HydrophobicContact CE1-CD2 4.41Å; F643-Y730 AromaticContact CZ-CD2 4Å; F643-Y730 HydrophobicContact CZ-CD2 4Å
644	G	97.5	Very high	96.8	Very high	5 Å²	5	39 Å²	39	5%	0.052	21%	0.21	C	C	.	.	S	Bend	trans	150.2	167.7	-172.9	0	0	0	0	0	112.6	C646 N817	G644-C646 PolarHBondContact O-N 2.71Å; G644-N817 WeakPolarHBondContact CA-O 3.35Å; G644-N817 PolarHBondContact N-OD1 3.2Å; G644-N817 PolarHBondContact O-ND2 2.96Å
645	N	98	Very high	96.8	Very high	2 Å²	2	41 Å²	41	1%	0.011	22%	0.219	C	C	.	.	S	Bend	trans	-81.3	93.8	169.1	-67.2	-7.9	0	0	0	107.9	R590 S593 M663 F814 N817	R590-N645 CarbonylContact O-C 3.59Å; R590-N645 WeakPolarHBondContact O-CA 3.29Å; R590-N645 WeakPolarHBondContact O-CB 3.37Å; S593-N645 WeakPolarHBondContact CA-O 3.27Å; S593-N645 WeakPolarHBondContact CB-O 3.38Å; N645-M663 VanDerWaalsContact O-CE 3.28Å; N645-M663 WeakPolarHBondContact O-CE 3.42Å; N645-F814 VanDerWaalsContact ND2-CE1 3.27Å; N645-F814 WeakPolarHBondContact ND2-CE1 3.39Å; N645-F814 WeakPolarHBondContact ND2-CZ 3.44Å; N645-N817 PolarHBondContact OD1-ND2 3.39Å
646	C	97.7	Very high	96.9	Very high	9 Å²	9	37 Å²	37	6%	0.061	19%	0.194	C	C	.	.	S	Bend	trans	-158.9	168.4	-177.4	57.9	0	0	0	0	110.9	R590 I591 G644 V654 L656 I665	R590-C646 PolarHBondContact O-N 3.35Å; I591-C646 CarbonylContact O-C 3.59Å; G644-C646 PolarHBondContact O-N 2.71Å; C646-V654 HydrophobicContact CB-CG1 3.59Å; C646-L656 HydrophobicContact CB-CD2 3.44Å; C646-L656 VanDerWaalsContact CB-CD2 3.44Å; C646-I665 HydrophobicContact CB-CD1 3.84Å
647	Y	98.1	Very high	97	Very high	45 Å²	45	37 Å²	37	18%	0.176	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-103.6	138.6	168.5	-176.3	-127.5	0	0	0	110.7	Q561 V564 I591 P649 E655	Q561-Y647 HydrophobicContact CB-CE2 4.46Å; Q561-Y647 HydrophobicContact CG-CD2 4.14Å; Q561-Y647 HydrophobicContact CG-CE2 3.59Å; V564-Y647 HydrophobicContact CB-CD1 4.26Å; V564-Y647 HydrophobicContact CG1-CD1 3.92Å; V564-Y647 HydrophobicContact CG1-CG 4.45Å; I591-Y647 HydrophobicContact CG2-CD2 3.89Å; I591-Y647 HydrophobicContact CG2-CG 4.08Å; I591-Y647 PolarHBondContact O-N 3.45Å; Y647-P649 HydrophobicContact CD1-CB 4.3Å; Y647-P649 HydrophobicContact CD1-CG 4.36Å; Y647-P649 HydrophobicContact CE1-CB 3.66Å; Y647-P649 HydrophobicContact CE1-CG 4.19Å; Y647-E655 HydrophobicContact CD1-CB 4.3Å; Y647-E655 PolarHBondContact N-O 2.8Å; Y647-E655 PolarHBondContact O-N 3Å
648	L	96.8	Very high	97	Very high	65 Å²	65	36.9 Å²	36.9	34%	0.34	19%	0.193	S	C	.	.			trans	-123.4	84.2	179.3	-61.8	173.3	0	0	0	107.9	F642 N650 V654	F642-L648 HydrophobicContact CB-CD1 3.98Å; F642-L648 HydrophobicContact CB-CD2 4.08Å; F642-L648 HydrophobicContact CD2-CD2 4.3Å; F642-L648 HydrophobicContact CG-CD2 4.33Å; L648-N650 PolarHBondContact O-N 2.81Å; L648-V654 HydrophobicContact CD2-CB 4.1Å; L648-V654 HydrophobicContact CD2-CG1 4.08Å; L648-V654 HydrophobicContact CD2-CG2 3.72Å
649	P	95	Very high	97.1	Very high	55 Å²	55	30.1 Å²	30.1	36%	0.357	17%	0.168	S	C	.	.	S	Bend	trans	-66.1	-23.6	177.8	27.6	-35.7	0	0	0	112	Y647 E655	Y647-P649 HydrophobicContact CD1-CB 4.3Å; Y647-P649 HydrophobicContact CD1-CG 4.36Å; Y647-P649 HydrophobicContact CE1-CB 3.66Å; Y647-P649 HydrophobicContact CE1-CG 4.19Å; P649-E655 HydrophobicContact CG-CG 3.88Å
650	N	94.9	Very high	97	Very high	65 Å²	65	29.1 Å²	29.1	35%	0.348	16%	0.161	S	C	.	.	S	Bend	trans	-144.2	-175.6	177.9	66.7	63.9	0	0	0	110	L648 T652 D653	L648-N650 PolarHBondContact O-N 2.81Å; N650-T652 VanDerWaalsContact C-N 3.32Å; N650-T652 PolarHBondContact O-N 3Å; N650-T652 WeakPolarHBondContact OD1-CA 3.44Å; N650-T652 PolarHBondContact OD1-N 3.26Å; N650-T652 PolarHBondContact OD1-OG1 2.68Å; N650-D653 PolarHBondContact ND2-OD2 2.94Å; N650-D653 PolarHBondContact OD1-N 2.94Å
651	T	92.3	Very high	96.9	Very high	116 Å²	116	27.3 Å²	27.3	71%	0.712	15%	0.151	S	C	*	.	S	Bend	trans	-83.7	-0.7	-176.3	54.5	0	0	0	0	114.6
652	T	95	Very high	96.7	Very high	48 Å²	48	25.6 Å²	25.6	29%	0.294	14%	0.143	S	C	.	.	S	Bend	trans	-124.4	-34.3	-170.9	63.7	0	0	0	0	115.1	R630 N650	R630-T652 PolarHBondContact NH1-OG1 3.21Å; N650-T652 VanDerWaalsContact C-N 3.32Å; N650-T652 PolarHBondContact O-N 3Å; N650-T652 WeakPolarHBondContact OD1-CA 3.44Å; N650-T652 PolarHBondContact OD1-N 3.26Å; N650-T652 PolarHBondContact OD1-OG1 2.68Å
653	D	97	Very high	96.6	Very high	34 Å²	34	25.4 Å²	25.4	18%	0.182	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129	-175.1	-57.3	-45.3	0	0	0	109.5	V628 R630 N650	V628-D653 HydrophobicContact CG1-CB 3.91Å; R630-D653 WeakPolarHBondContact CD-OD1 3.5Å; R630-D653 IonicContact CZ-OD1 2.83Å; R630-D653 IonicContact NE-OD1 2.77Å; R630-D653 IonicContact NH1-OD1 3.23Å; R630-D653 PolarHBondContact NH1-OD1 3.46Å; R630-D653 IonicContact NH1-OD2 3.48Å; N650-D653 PolarHBondContact ND2-OD2 2.94Å; N650-D653 PolarHBondContact OD1-N 2.94Å
654	V	98.5	Very high	96.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	107.9	175.7	-173.4	0	0	0	0	108	V628 M629 F642 C646 L648 L656 I665	V628-V654 CarbonylContact C-O 3.56Å; V628-V654 WeakPolarHBondContact CA-O 3.46Å; M629-V654 HydrophobicContact CB-CB 4.23Å; M629-V654 HydrophobicContact CE-CB 4.06Å; M629-V654 HydrophobicContact CE-CG1 4.25Å; M629-V654 HydrophobicContact CE-CG2 3.91Å; M629-V654 PolarHBondContact N-O 3.34Å; M629-V654 PolarHBondContact O-N 3.26Å; F642-V654 HydrophobicContact CD1-CG2 3.64Å; F642-V654 HydrophobicContact CD2-CG2 4.28Å; F642-V654 HydrophobicContact CE1-CG2 3.77Å; F642-V654 HydrophobicContact CE2-CG2 4.39Å; F642-V654 HydrophobicContact CG-CG2 3.9Å; F642-V654 HydrophobicContact CZ-CG2 4.15Å; C646-V654 HydrophobicContact CB-CG1 3.59Å; L648-V654 HydrophobicContact CD2-CB 4.1Å; L648-V654 HydrophobicContact CD2-CG1 4.08Å; L648-V654 HydrophobicContact CD2-CG2 3.72Å; V654-L656 HydrophobicContact CG1-CD2 3.79Å; V654-L656 HydrophobicContact CG1-CG 4.44Å; V654-I665 HydrophobicContact CG1-CG1 4.36Å; V654-I665 HydrophobicContact CG1-CG2 4.42Å
655	E	98.4	Very high	96.7	Very high	51 Å²	51	25 Å²	25	24%	0.238	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.6	-178.9	-63.2	-165.4	173.3	0	0	111.1	V564 V628 Y647 P649	V564-E655 HydrophobicContact CG1-CB 3.71Å; V564-E655 WeakPolarHBondContact CG1-OE2 3.36Å; V628-E655 HydrophobicContact CG2-CG 4.26Å; Y647-E655 HydrophobicContact CD1-CB 4.3Å; Y647-E655 PolarHBondContact N-O 2.8Å; Y647-E655 PolarHBondContact O-N 3Å; P649-E655 HydrophobicContact CG-CG 3.88Å
656	L	98.3	Very high	96.7	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	106.4	-174.4	-49	179.7	0	0	0	108.1	S593 A627 M629 C646 V654 S658 V659 M663 I665	S593-L656 WeakPolarHBondContact OG-CA 3.29Å; A627-L656 WeakPolarHBondContact CA-O 3.46Å; A627-L656 HydrophobicContact CB-CB 4.16Å; A627-L656 PolarHBondContact N-O 2.86Å; A627-L656 PolarHBondContact O-N 2.8Å; M629-L656 HydrophobicContact CB-CD1 4.47Å; C646-L656 HydrophobicContact CB-CD2 3.44Å; C646-L656 VanDerWaalsContact CB-CD2 3.44Å; V654-L656 HydrophobicContact CG1-CD2 3.79Å; V654-L656 HydrophobicContact CG1-CG 4.44Å; L656-S658 PolarHBondContact O-N 2.79Å; L656-V659 HydrophobicContact CB-CG2 3.98Å; L656-V659 HydrophobicContact CD1-CG2 3.81Å; L656-M663 HydrophobicContact CD1-CE 3.86Å; L656-M663 HydrophobicContact CD1-SD 4.09Å; L656-M663 HydrophobicContact CD2-CE 3.29Å; L656-M663 HydrophobicContact CD2-SD 4.42Å; L656-M663 HydrophobicContact CG-CE 4.1Å; L656-I665 HydrophobicContact CD2-CD1 4.42Å
657	A	98.4	Very high	96.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	-31.1	179.8	0	0	0	0	0	112.2	V564 C568 S593 F625 N626	V564-A657 HydrophobicContact CG2-CB 4.23Å; C568-A657 WeakPolarHBondContact O-CB 3.24Å; S593-A657 PolarHBondContact OG-N 3.48Å; F625-A657 WeakPolarHBondContact CA-O 3.47Å; N626-A657 PolarHBondContact N-O 2.85Å
658	S	97.9	Very high	96.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	161.1	165.3	75.7	0	0	0	0	111.6	S569 S593 A624 L656	S569-S658 VanDerWaalsContact CB-CB 3.44Å; S569-S658 WeakPolarHBondContact CB-OG 3.48Å; S569-S658 PolarHBondContact OG-OG 3.4Å; S593-S658 WeakPolarHBondContact CB-O 3.42Å; S593-S658 PolarHBondContact OG-N 2.78Å; S593-S658 PolarHBondContact OG-O 2.87Å; A624-S658 CarbonylContact O-C 3.58Å; A624-S658 VanDerWaalsContact O-CA 3.29Å; A624-S658 WeakPolarHBondContact O-CA 3.35Å; L656-S658 PolarHBondContact O-N 2.79Å
659	V	97.9	Very high	96.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	124.8	176.5	-166.7	0	0	0	0	108.9	P251 F252 Q623 A624 A627 L656 M663	P251-V659 HydrophobicContact CG-CG1 4.25Å; F252-V659 HydrophobicContact CD2-CB 4.24Å; F252-V659 HydrophobicContact CD2-CG1 3.53Å; F252-V659 HydrophobicContact CE2-CB 4.42Å; F252-V659 HydrophobicContact CE2-CG1 4.08Å; F252-V659 HydrophobicContact CG-CG1 4.3Å; Q623-V659 PolarHBondContact N-O 3.16Å; A624-V659 HydrophobicContact CB-CB 4.08Å; A624-V659 HydrophobicContact CB-CG2 4.23Å; A624-V659 PolarHBondContact N-O 2.78Å; A624-V659 PolarHBondContact O-N 3.34Å; A627-V659 HydrophobicContact CB-CG2 3.6Å; L656-V659 HydrophobicContact CB-CG2 3.98Å; L656-V659 HydrophobicContact CD1-CG2 3.81Å; V659-M663 HydrophobicContact CG1-SD 4.05Å
660	S	95.8	Very high	97	Very high	3 Å²	3	23 Å²	23	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	158.9	171.8	-60.7	0	0	0	0	110.9	N621 D662 M663	N621-S660 CarbonylContact O-C 3.59Å; N621-S660 WeakPolarHBondContact O-CA 3.31Å; N621-S660 WeakPolarHBondContact O-CB 3.08Å; S660-D662 WeakPolarHBondContact CB-OD1 3.4Å; S660-D662 PolarHBondContact O-N 2.83Å; S660-M663 VanDerWaalsContact O-CB 3.28Å; S660-M663 WeakPolarHBondContact O-CB 3.38Å; S660-M663 PolarHBondContact O-N 3.16Å
661	S	94.9	Very high	97.1	Very high	10 Å²	10	21 Å²	21	7%	0.07	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.2	-176.4	57.7	0	0	0	0	114.9	F252 A253 N621	F252-S661 WeakPolarHBondContact O-CA 3.39Å; F252-S661 WeakPolarHBondContact O-CB 3.39Å; A253-S661 VanDerWaalsContact CA-O 3.28Å; A253-S661 WeakPolarHBondContact CA-O 3.28Å; N621-S661 PolarHBondContact O-N 3.2Å
662	D	93.5	Very high	97.2	Very high	13 Å²	13	19.7 Å²	19.7	7%	0.07	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	15.8	-178.2	62.2	-32.7	0	0	0	112	R595 S660 W930	R595-D662 IonicContact CZ-OD1 3.81Å; R595-D662 IonicContact CZ-OD2 2.75Å; R595-D662 IonicContact NE-OD1 3.52Å; R595-D662 IonicContact NE-OD2 2.76Å; R595-D662 IonicContact NH1-OD2 3.55Å; R595-D662 PolarHBondContact NH1-OD2 3.26Å; R595-D662 PolarHBondContact NH2-O 3.16Å; R595-D662 VanDerWaalsContact NH2-O 3.1Å; R595-D662 IonicContact NH2-OD1 3.57Å; R595-D662 PolarHBondContact NH2-OD1 2.85Å; R595-D662 IonicContact NH2-OD2 3.43Å; R595-D662 PolarHBondContact NH2-OD2 3.22Å; S660-D662 WeakPolarHBondContact CB-OD1 3.4Å; S660-D662 PolarHBondContact O-N 2.83Å; D662-W930 HydrophobicContact CB-CB 4.16Å; D662-W930 WeakPolarHBondContact OD2-CB 3.38Å
663	M	95.5	Very high	97.2	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.025	11%	0.109	C	C	.	.			trans	-84.8	142.3	175.1	-180	175.4	-176	0	0	110.8	S250 N645 L656 V659 S660 I665	S250-M663 WeakPolarHBondContact CA-O 3.22Å; S250-M663 WeakPolarHBondContact CB-O 3.43Å; S250-M663 PolarHBondContact OG-O 3.2Å; S250-M663 VanDerWaalsContact OG-O 3.08Å; N645-M663 VanDerWaalsContact O-CE 3.28Å; N645-M663 WeakPolarHBondContact O-CE 3.42Å; L656-M663 HydrophobicContact CD1-CE 3.86Å; L656-M663 HydrophobicContact CD1-SD 4.09Å; L656-M663 HydrophobicContact CD2-CE 3.29Å; L656-M663 HydrophobicContact CD2-SD 4.42Å; L656-M663 HydrophobicContact CG-CE 4.1Å; V659-M663 HydrophobicContact CG1-SD 4.05Å; S660-M663 VanDerWaalsContact O-CB 3.28Å; S660-M663 WeakPolarHBondContact O-CB 3.38Å; S660-M663 PolarHBondContact O-N 3.16Å; M663-I665 HydrophobicContact CE-CD1 3.53Å; M663-I665 HydrophobicContact CE-CG1 3.93Å
664	A	98	Very high	97.2	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	13%	0.133	C	C	.	.			trans	-137.8	138.9	170.6	0	0	0	0	0	113	T248 I249 S250 D820	T248-A664 HydrophobicContact CG2-CB 4.05Å; I249-A664 CarbonylContact O-C 3.44Å; I249-A664 VanDerWaalsContact O-CA 3.3Å; I249-A664 WeakPolarHBondContact O-CA 3.42Å; S250-A664 WeakPolarHBondContact OG-CB 3.23Å; A664-D820 HydrophobicContact CB-CB 3.67Å
665	I	98.5	Very high	97.1	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.5	169.5	-58.3	-58.6	0	0	0	108.3	I249 M629 F642 F643 C646 V654 L656 M663	I249-I665 WeakPolarHBondContact CB-O 3.27Å; I249-I665 PolarHBondContact N-O 3.21Å; I249-I665 PolarHBondContact O-N 3.4Å; M629-I665 HydrophobicContact CE-CB 3.72Å; M629-I665 HydrophobicContact CE-CG1 4.02Å; M629-I665 HydrophobicContact CE-CG2 3.66Å; F642-I665 HydrophobicContact CB-CG2 4.4Å; F642-I665 HydrophobicContact CD1-CG2 3.96Å; F643-I665 CarbonylContact O-C 3.51Å; F643-I665 WeakPolarHBondContact O-CA 3.4Å; C646-I665 HydrophobicContact CB-CD1 3.84Å; V654-I665 HydrophobicContact CG1-CG1 4.36Å; V654-I665 HydrophobicContact CG1-CG2 4.42Å; L656-I665 HydrophobicContact CD2-CD1 4.42Å; M663-I665 HydrophobicContact CE-CD1 3.53Å; M663-I665 HydrophobicContact CE-CG1 3.93Å
666	T	98.7	Very high	96.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.9	178.1	-50	0	0	0	0	109.3	L247 T248 F642 F643 N725 W726 K729	L247-T666 CarbonylContact O-C 3.48Å; L247-T666 VanDerWaalsContact O-CA 3.22Å; L247-T666 WeakPolarHBondContact O-CA 3.45Å; T248-T666 PolarHBondContact OG1-OG1 3.4Å; F642-T666 CarbonylContact C-O 3.54Å; F642-T666 WeakPolarHBondContact CA-O 3.21Å; F643-T666 PolarHBondContact N-O 2.85Å; F643-T666 PolarHBondContact O-N 2.62Å; T666-N725 PolarHBondContact OG1-OD1 3.1Å; T666-W726 HydrophobicContact CG2-CB 4Å; T666-K729 WeakPolarHBondContact OG1-CE 3.39Å; T666-K729 PolarHBondContact OG1-NZ 2.99Å
667	A	98.5	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.1	176.8	0	0	0	0	0	110.4	S246 L247 I249 E641 F642 L669	S246-A667 CarbonylContact C-O 3.09Å; S246-A667 WeakPolarHBondContact CA-O 3.44Å; S246-A667 WeakPolarHBondContact CB-O 3.3Å; L247-A667 PolarHBondContact N-O 3.14Å; L247-A667 PolarHBondContact O-N 3.18Å; I249-A667 HydrophobicContact CD1-CB 4.43Å; E641-A667 CarbonylContact O-C 3.56Å; E641-A667 WeakPolarHBondContact O-CA 3.39Å; F642-A667 HydrophobicContact CD1-CB 3.74Å; F642-A667 HydrophobicContact CE1-CB 3.65Å; F642-A667 HydrophobicContact CZ-CB 4.49Å; A667-L669 HydrophobicContact CB-CD1 4.11Å; A667-L669 WeakPolarHBondContact O-CD1 3.35Å
668	E	98.3	Very high	96.1	Very high	13 Å²	13	40.1 Å²	40.1	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	133.5	165.4	-174.8	-179.6	138	0	0	109.6	P639 V640 E641 F643 R670 W726	P639-E668 CarbonylContact C-O 3.09Å; P639-E668 WeakPolarHBondContact CA-O 3.22Å; V640-E668 HydrophobicContact CG2-CB 4.23Å; V640-E668 HydrophobicContact CG2-CG 4.17Å; V640-E668 WeakPolarHBondContact CG2-O 3.46Å; V640-E668 PolarHBondContact N-O 2.93Å; E641-E668 HydrophobicContact CB-CB 4.28Å; E641-E668 PolarHBondContact O-N 3.5Å; F643-E668 HydrophobicContact CE2-CB 4.48Å; E668-R670 IonicContact OE1-CZ 3.89Å; E668-R670 VanDerWaalsContact OE1-CZ 3.23Å; E668-R670 IonicContact OE1-NE 3.5Å; E668-R670 PolarHBondContact OE1-NE 3.06Å; E668-R670 IonicContact OE1-NH2 3.57Å; E668-R670 PolarHBondContact OE1-NH2 2.94Å; E668-W726 PolarHBondContact OE2-NE1 3Å; E668-W726 VanDerWaalsContact OE2-NE1 3.14Å
669	L	98.4	Very high	95.9	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.6	179.8	-70.7	75.2	0	0	0	109.4	F245 L247 T633 I637 R638 A667 I683	F245-L669 HydrophobicContact CB-CB 4.45Å; F245-L669 HydrophobicContact CD1-CB 3.66Å; F245-L669 HydrophobicContact CD1-CD2 4.23Å; F245-L669 HydrophobicContact CE1-CB 4.12Å; F245-L669 HydrophobicContact CE1-CD2 3.81Å; F245-L669 HydrophobicContact CG-CB 4.1Å; F245-L669 HydrophobicContact CZ-CD2 4.1Å; F245-L669 PolarHBondContact O-N 3.37Å; L247-L669 HydrophobicContact CB-CD1 4.31Å; L247-L669 HydrophobicContact CD1-CD1 3.76Å; L247-L669 HydrophobicContact CD1-CD2 3.92Å; L247-L669 HydrophobicContact CG-CD1 3.66Å; L247-L669 HydrophobicContact CG-CD2 4.36Å; T633-L669 HydrophobicContact CG2-CD2 3.81Å; I637-L669 HydrophobicContact CG2-CB 3.83Å; I637-L669 HydrophobicContact CG2-CD2 3.77Å; I637-L669 HydrophobicContact CG2-CG 4.26Å; R638-L669 WeakPolarHBondContact O-CA 3.5Å; A667-L669 HydrophobicContact CB-CD1 4.11Å; A667-L669 WeakPolarHBondContact O-CD1 3.35Å; L669-I683 HydrophobicContact CD2-CD1 4.44Å; L669-I683 HydrophobicContact CD2-CG1 4.42Å
670	R	97.8	Very high	95.8	Very high	119 Å²	119	46.2 Å²	46.2	45%	0.449	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	155.4	176.8	-66.8	-174.7	-172.1	160.4	8.5	111.1	I637 R638 V640 E668	I637-R670 WeakPolarHBondContact CA-O 3.4Å; R638-R670 PolarHBondContact N-O 3.41Å; R638-R670 PolarHBondContact O-N 3.45Å; V640-R670 HydrophobicContact CG1-CB 3.95Å; V640-R670 HydrophobicContact CG1-CG 4.14Å; V640-R670 HydrophobicContact CG2-CB 4.37Å; V640-R670 HydrophobicContact CG2-CG 3.7Å; E668-R670 IonicContact OE1-CZ 3.89Å; E668-R670 VanDerWaalsContact OE1-CZ 3.23Å; E668-R670 IonicContact OE1-NE 3.5Å; E668-R670 PolarHBondContact OE1-NE 3.06Å; E668-R670 IonicContact OE1-NH2 3.57Å; E668-R670 PolarHBondContact OE1-NH2 2.94Å
671	H	98	Very high	95.9	Very high	25 Å²	25	46.1 Å²	46.1	12%	0.116	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	133.7	171.5	-61.7	76	0	0	0	111.8	P232 G636 I637	P232-H671 PolarHBondContact O-CE1 3.38Å; P232-H671 VanDerWaalsContact O-CE1 3.31Å; P232-H671 PolarHBondContact O-NE2 2.73Å; G636-H671 VanDerWaalsContact O-CA 3.25Å; G636-H671 WeakPolarHBondContact O-CA 3.21Å; I637-H671 HydrophobicContact CD1-CB 4.39Å
672	D	94.1	Very high	96	Very high	88 Å²	88	47.1 Å²	47.1	47%	0.471	24%	0.238	S	C	.	.	S	Bend	trans	-106.8	-17.7	162.8	62.8	0.2	0	0	0	112.4	G636 I637	G636-D672 WeakPolarHBondContact CA-OD1 3.43Å; G636-D672 PolarHBondContact N-OD1 2.93Å; G636-D672 PolarHBondContact O-N 3.34Å; G636-D672 VanDerWaalsContact O-OD1 3.13Å; I637-D672 PolarHBondContact N-OD1 3.32Å; I637-D672 VanDerWaalsContact N-OD1 3.14Å
673	D	95.6	Very high	96.2	Very high	105 Å²	105	46.6 Å²	46.6	56%	0.561	24%	0.235	S	C	*	.	S	Bend	trans	-148.1	174.6	171.3	-155	-10.8	0	0	0	110.8	G636	G636-D673 PolarHBondContact O-N 3.45Å
674	K	95.2	Very high	96.4	Very high	157 Å²	157	46.3 Å²	46.3	68%	0.683	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-72.2	135.6	169.9	-64.4	-168.3	175.8	-179.9	0	110.1	T234	T234-K674 HydrophobicContact CG2-CD 4.07Å; T234-K674 HydrophobicContact CG2-CG 4Å
675	L	97.1	Very high	96.4	Very high	18 Å²	18	46.3 Å²	46.3	9%	0.094	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-89.2	147.4	172.9	-57.2	172.7	0	0	0	109.9	V231 N233 I637 V681 V707	V231-L675 HydrophobicContact CG1-CD1 3.81Å; N233-L675 HydrophobicContact CB-CB 4.48Å; N233-L675 PolarHBondContact O-N 2.88Å; I637-L675 HydrophobicContact CD1-CD1 4.04Å; I637-L675 HydrophobicContact CG1-CD1 3.84Å; I637-L675 HydrophobicContact CG1-CD2 4.14Å; I637-L675 HydrophobicContact CG1-CG 4.43Å; L675-V681 HydrophobicContact CD1-CG2 3.69Å; L675-V681 HydrophobicContact CD2-CG2 4.38Å; L675-V707 HydrophobicContact CB-CG1 3.71Å; L675-V707 HydrophobicContact CB-CG2 4Å; L675-V707 HydrophobicContact CD1-CG1 4.35Å; L675-V707 HydrophobicContact CD1-CG2 3.93Å
676	Q	94.9	Very high	96.4	Very high	126 Å²	126	46.4 Å²	46.4	59%	0.589	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-82.7	138.3	176.9	-56.5	-171.4	18.1	0	0	110.6	G678 E679 V707	Q676-G678 PolarHBondContact O-N 3.24Å; Q676-E679 HydrophobicContact CB-CB 4.39Å; Q676-E679 HydrophobicContact CB-CG 3.83Å; Q676-E679 PolarHBondContact O-N 3.28Å; Q676-E679 PolarHBondContact OE1-OE1 3.45Å; Q676-V707 WeakPolarHBondContact O-CG1 3.04Å
677	E	93	Very high	96.4	Very high	91 Å²	91	46.4 Å²	46.4	43%	0.425	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	135.4	177.7	-167.6	70.5	173.5	0	0	110.9	E679 T708 S709	E677-E679 PolarHBondContact O-N 2.96Å; E677-T708 WeakPolarHBondContact OE1-CA 3.33Å; E677-T708 WeakPolarHBondContact OE2-CA 3.45Å; E677-S709 VanDerWaalsContact CD-OG 3.23Å; E677-S709 PolarHBondContact OE1-N 3.49Å; E677-S709 PolarHBondContact OE1-OG 3.2Å; E677-S709 WeakPolarHBondContact OE2-CB 3.49Å; E677-S709 PolarHBondContact OE2-N 3.05Å; E677-S709 PolarHBondContact OE2-OG 3.42Å
678	G	86.5	Confident	96.4	Very high	67 Å²	67	47.8 Å²	47.8	69%	0.691	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.9	-7.4	179.9	0	0	0	0	0	114.9	Q676	Q676-G678 PolarHBondContact O-N 3.24Å
679	E	93.2	Very high	96.4	Very high	98 Å²	98	47.3 Å²	47.3	46%	0.458	24%	0.24	S	C	.	.			trans	-76.1	174	167.2	-70.2	-165.9	155.3	0	0	111.7	Q676 E677 V707	Q676-E679 HydrophobicContact CB-CB 4.39Å; Q676-E679 HydrophobicContact CB-CG 3.83Å; Q676-E679 PolarHBondContact O-N 3.28Å; Q676-E679 PolarHBondContact OE1-OE1 3.45Å; E677-E679 PolarHBondContact O-N 2.96Å; E679-V707 WeakPolarHBondContact O-CG2 3.31Å; E679-V707 PolarHBondContact O-N 3.19Å
680	L	96	Very high	96.4	Very high	29 Å²	29	47.3 Å²	47.3	15%	0.152	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.3	176.4	-52.5	176.1	0	0	0	110.1	F682 I705 P706	L680-F682 HydrophobicContact CB-CD2 4.46Å; L680-F682 HydrophobicContact CB-CE1 4.28Å; L680-F682 HydrophobicContact CB-CE2 3.95Å; L680-F682 HydrophobicContact CB-CZ 3.87Å; L680-F682 HydrophobicContact CD1-CE1 3.95Å; L680-F682 HydrophobicContact CD1-CZ 3.77Å; L680-F682 HydrophobicContact CG-CZ 4.36Å; L680-I705 CarbonylContact C-O 3.56Å; L680-I705 WeakPolarHBondContact CA-O 3.46Å; L680-P706 HydrophobicContact CD2-CB 4.2Å
681	V	97.3	Very high	96.3	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	124	159.4	175.8	0	0	0	0	108.4	V231 F245 S634 I637 L675 I683 S704 I705 V707	V231-V681 HydrophobicContact CB-CG2 4.08Å; V231-V681 HydrophobicContact CG1-CG2 4.13Å; V231-V681 HydrophobicContact CG2-CB 4.19Å; V231-V681 HydrophobicContact CG2-CG2 3.99Å; F245-V681 HydrophobicContact CE1-CG1 4.35Å; F245-V681 HydrophobicContact CZ-CG1 4.49Å; S634-V681 WeakPolarHBondContact OG-CA 3.47Å; I637-V681 HydrophobicContact CG1-CG1 4.42Å; I637-V681 HydrophobicContact CG1-CG2 4.26Å; L675-V681 HydrophobicContact CD1-CG2 3.69Å; L675-V681 HydrophobicContact CD2-CG2 4.38Å; V681-I683 HydrophobicContact CG1-CD1 4.49Å; V681-I683 HydrophobicContact CG1-CG1 4.29Å; V681-S704 CarbonylContact O-C 3.59Å; V681-S704 WeakPolarHBondContact O-CA 3.24Å; V681-I705 PolarHBondContact N-O 3.21Å; V681-I705 PolarHBondContact O-N 3.01Å; V681-V707 HydrophobicContact CG2-CG2 3.78Å
682	F	97.9	Very high	96.2	Very high	31 Å²	31	40.9 Å²	40.9	14%	0.136	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.9	173.9	-60.7	-82.8	0	0	0	109.9	F285 P298 L299 T633 S634 L680	F285-F682 HydrophobicContact CB-CD1 3.96Å; F285-F682 HydrophobicContact CB-CE1 3.67Å; F285-F682 HydrophobicContact CB-CZ 4.47Å; F285-F682 HydrophobicContact CD1-CD1 4.43Å; F285-F682 AromaticContact CD1-CE1 3.98Å; F285-F682 HydrophobicContact CD1-CE1 3.98Å; F285-F682 AromaticContact CD2-CD1 3.5Å; F285-F682 HydrophobicContact CD2-CD1 3.5Å; F285-F682 AromaticContact CD2-CE1 3.88Å; F285-F682 HydrophobicContact CD2-CE1 3.88Å; F285-F682 HydrophobicContact CE2-CD1 4.05Å; F285-F682 HydrophobicContact CE2-CE1 4.5Å; F285-F682 AromaticContact CG-CD1 3.71Å; F285-F682 HydrophobicContact CG-CD1 3.71Å; F285-F682 AromaticContact CG-CE1 3.57Å; F285-F682 HydrophobicContact CG-CE1 3.57Å; P298-F682 HydrophobicContact CB-CD1 4.35Å; P298-F682 HydrophobicContact CB-CD2 3.75Å; P298-F682 HydrophobicContact CB-CE1 4.28Å; P298-F682 HydrophobicContact CB-CE2 3.66Å; P298-F682 HydrophobicContact CB-CG 4.08Å; P298-F682 HydrophobicContact CB-CZ 3.93Å; L299-F682 HydrophobicContact CD1-CB 3.87Å; L299-F682 HydrophobicContact CG-CB 4.31Å; T633-F682 CarbonylContact C-O 3.59Å; T633-F682 VanDerWaalsContact CA-O 3.24Å; T633-F682 WeakPolarHBondContact CA-O 3.34Å; S634-F682 PolarHBondContact N-O 3.37Å; S634-F682 PolarHBondContact OG-N 2.91Å; L680-F682 HydrophobicContact CB-CD2 4.46Å; L680-F682 HydrophobicContact CB-CE1 4.28Å; L680-F682 HydrophobicContact CB-CE2 3.95Å; L680-F682 HydrophobicContact CB-CZ 3.87Å; L680-F682 HydrophobicContact CD1-CE1 3.95Å; L680-F682 HydrophobicContact CD1-CZ 3.77Å; L680-F682 HydrophobicContact CG-CZ 4.36Å
683	I	98.5	Very high	96.2	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.1	175.4	-63.6	148.1	0	0	0	107.7	F245 L247 V631 R632 T633 L669 V681 V685 N702 L703 I705	F245-I683 HydrophobicContact CZ-CD1 4.01Å; L247-I683 HydrophobicContact CD1-CD1 3.75Å; L247-I683 HydrophobicContact CD1-CG1 4.2Å; L247-I683 HydrophobicContact CD1-CG2 3.7Å; L247-I683 HydrophobicContact CD2-CD1 3.95Å; L247-I683 HydrophobicContact CG-CD1 4.42Å; V631-I683 HydrophobicContact CG1-CG2 4.05Å; R632-I683 CarbonylContact O-C 3.51Å; R632-I683 WeakPolarHBondContact O-CA 3.34Å; T633-I683 HydrophobicContact CG2-CG1 4.23Å; L669-I683 HydrophobicContact CD2-CD1 4.44Å; L669-I683 HydrophobicContact CD2-CG1 4.42Å; V681-I683 HydrophobicContact CG1-CD1 4.49Å; V681-I683 HydrophobicContact CG1-CG1 4.29Å; I683-V685 HydrophobicContact CG2-CG2 4.34Å; I683-N702 CarbonylContact O-C 3.48Å; I683-N702 WeakPolarHBondContact O-CA 3.11Å; I683-L703 HydrophobicContact CB-CB 4.29Å; I683-L703 HydrophobicContact CD1-CD2 4.11Å; I683-L703 HydrophobicContact CD1-CG 4.45Å; I683-L703 PolarHBondContact N-O 3.38Å; I683-L703 PolarHBondContact O-N 2.92Å; I683-I705 HydrophobicContact CD1-CD1 4.08Å
684	Q	98.8	Very high	96.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	112.5	170.9	-179.2	177.7	86	0	0	109.4	Y281 N283 L299 R632 I700 H701 N702	Y281-Q684 PolarHBondContact O-NE2 3.14Å; N283-Q684 PolarHBondContact ND2-NE2 3.08Å; N283-Q684 VanDerWaalsContact ND2-NE2 3.18Å; L299-Q684 HydrophobicContact CD2-CB 4.33Å; R632-Q684 HydrophobicContact CB-CB 4.48Å; R632-Q684 PolarHBondContact N-O 3.45Å; R632-Q684 PolarHBondContact O-N 3.14Å; Q684-I700 HydrophobicContact CG-CG2 3.86Å; Q684-H701 CarbonylContact C-O 3.43Å; Q684-H701 WeakPolarHBondContact CA-O 3.45Å; Q684-N702 WeakPolarHBondContact CG-OD1 3.48Å; Q684-N702 PolarHBondContact NE2-OD1 3.42Å
685	V	98.8	Very high	96.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.8	168.2	-178.2	0	0	0	0	107.7	I224 I249 M629 V631 I683 I700 H701	I224-V685 HydrophobicContact CD1-CB 4.12Å; I224-V685 HydrophobicContact CD1-CG2 3.44Å; I224-V685 VanDerWaalsContact CD1-CG2 3.44Å; I224-V685 HydrophobicContact CG1-CG2 4.45Å; I249-V685 HydrophobicContact CD1-CG2 3.84Å; I249-V685 HydrophobicContact CG1-CG2 4.29Å; I249-V685 HydrophobicContact CG2-CG1 3.83Å; I249-V685 HydrophobicContact CG2-CG2 4.24Å; M629-V685 HydrophobicContact CG-CG1 3.74Å; M629-V685 HydrophobicContact SD-CG1 3.8Å; V631-V685 HydrophobicContact CG1-CG2 4.47Å; V631-V685 HydrophobicContact CG2-CG2 4.23Å; I683-V685 HydrophobicContact CG2-CG2 4.34Å; V685-I700 WeakPolarHBondContact O-CA 3.4Å; V685-H701 HydrophobicContact CB-CB 4.31Å; V685-H701 PolarHBondContact N-O 3.03Å; V685-H701 PolarHBondContact O-N 3.08Å
686	A	98.7	Very high	96.2	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.033	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.6	174.6	0	0	0	0	0	109.7	Y281 M629 R630 R699 I700	Y281-A686 HydrophobicContact CD2-CB 3.75Å; Y281-A686 HydrophobicContact CE2-CB 3.43Å; Y281-A686 VanDerWaalsContact CE2-CB 3.43Å; M629-A686 CarbonylContact C-O 3.46Å; M629-A686 WeakPolarHBondContact CA-O 3.48Å; R630-A686 PolarHBondContact N-O 3.49Å; R630-A686 PolarHBondContact O-N 3.31Å; A686-R699 CarbonylContact C-O 3.56Å; A686-R699 WeakPolarHBondContact CA-O 3.38Å; A686-I700 HydrophobicContact CB-CD1 3.59Å
687	C	98.5	Very high	96.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	106.5	176	-169.3	0	0	0	0	109	V628 M629 Y689 L698 R699	V628-C687 WeakPolarHBondContact O-CA 3.35Å; M629-C687 HydrophobicContact CB-CB 4.5Å; C687-Y689 WeakPolarHBondContact O-CD1 3.38Å; C687-L698 CarbonylContact O-C 3.54Å; C687-L698 WeakPolarHBondContact O-CA 3.23Å; C687-R699 HydrophobicContact CB-CB 4.41Å; C687-R699 PolarHBondContact N-O 3.03Å; C687-R699 PolarHBondContact O-N 3.18Å
688	L	98.5	Very high	96.5	Very high	28 Å²	28	21.1 Å²	21.1	15%	0.147	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125.7	173.1	177.1	69.1	0	0	0	108.3	A338 Y342 A627 V628 R696 R697 L698	A338-L688 HydrophobicContact CB-CD1 4.09Å; Y342-L688 HydrophobicContact CD1-CD1 3.97Å; Y342-L688 HydrophobicContact CD1-CD2 4.22Å; Y342-L688 HydrophobicContact CG-CD1 4.36Å; A627-L688 CarbonylContact C-O 3.58Å; A627-L688 WeakPolarHBondContact CA-O 3.39Å; V628-L688 PolarHBondContact N-O 2.81Å; V628-L688 PolarHBondContact O-N 3.31Å; L688-R696 HydrophobicContact CD1-CG 4.02Å; L688-R697 WeakPolarHBondContact CA-O 3.26Å; L688-L698 HydrophobicContact CB-CD2 3.66Å; L688-L698 HydrophobicContact CB-CG 4.43Å; L688-L698 HydrophobicContact CD1-CD1 4.35Å; L688-L698 HydrophobicContact CD1-CD2 3.8Å; L688-L698 HydrophobicContact CD1-CG 3.68Å; L688-L698 HydrophobicContact CG-CD2 4.31Å
689	Y	98.4	Very high	97.1	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.016	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	167.8	-173.3	72.4	-79.4	0	0	0	113.3	F252 E335 A624 C687 R696 R697 R699	F252-Y689 HydrophobicContact CE1-CE1 4.21Å; F252-Y689 HydrophobicContact CE1-CE2 4.15Å; F252-Y689 AromaticContact CE1-CZ 3.91Å; F252-Y689 AromaticContact CZ-CD1 3.81Å; F252-Y689 HydrophobicContact CZ-CD1 3.81Å; F252-Y689 HydrophobicContact CZ-CD2 4.23Å; F252-Y689 AromaticContact CZ-CE1 3.69Å; F252-Y689 HydrophobicContact CZ-CE1 3.69Å; F252-Y689 HydrophobicContact CZ-CE2 4.1Å; F252-Y689 HydrophobicContact CZ-CG 4.08Å; F252-Y689 AromaticContact CZ-CZ 3.83Å; E335-Y689 PolarHBondContact OE1-OH 3.4Å; E335-Y689 PolarHBondContact OE2-OH 2.72Å; A624-Y689 HydrophobicContact CB-CD2 3.2Å; A624-Y689 HydrophobicContact CB-CE2 3.86Å; A624-Y689 HydrophobicContact CB-CG 3.75Å; C687-Y689 WeakPolarHBondContact O-CD1 3.38Å; Y689-R696 WeakPolarHBondContact O-CA 3.36Å; Y689-R696 WeakPolarHBondContact O-CD 3.21Å; Y689-R697 HydrophobicContact CD1-CB 4.23Å; Y689-R697 VanDerWaalsContact CD1-O 3.31Å; Y689-R697 WeakPolarHBondContact CD1-O 3.43Å; Y689-R697 HydrophobicContact CE1-CB 3.52Å; Y689-R697 HydrophobicContact CE2-CB 4.22Å; Y689-R697 PolarHBondContact N-O 3.32Å; Y689-R697 PolarHBondContact O-N 2.93Å; Y689-R697 WeakPolarHBondContact OH-CD 3.44Å; Y689-R699 HydrophobicContact CE1-CB 4.11Å
690	T	97.7	Very high	97.4	Very high	1 Å²	1	14 Å²	14	1%	0.006	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123	169.2	-61.1	0	0	0	0	108.7	P349 F625 Q695 R696	P349-T690 HydrophobicContact CB-CG2 3.75Å; P349-T690 HydrophobicContact CG-CG2 3.7Å; F625-T690 PolarHBondContact N-O 3.45Å; F625-T690 PolarHBondContact O-N 2.93Å; T690-Q695 CarbonylContact C-O 3.56Å; T690-Q695 WeakPolarHBondContact CA-O 3.32Å; T690-R696 VanDerWaalsContact N-NH1 3.1Å; T690-R696 PolarHBondContact OG1-NH1 3.3Å
691	S	96.6	Very high	97.5	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.007	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	167	178.4	79.2	0	0	0	0	111.9	E388 S693 G694 Q695	E388-S691 WeakPolarHBondContact OE1-CB 3.22Å; E388-S691 PolarHBondContact OE1-OG 3.02Å; S691-S693 PolarHBondContact O-N 3.45Å; S691-S693 VanDerWaalsContact O-N 3.14Å; S691-S693 PolarHBondContact OG-N 2.97Å; S691-S693 PolarHBondContact OG-OG 2.64Å; S691-G694 PolarHBondContact O-N 3.12Å; S691-Q695 PolarHBondContact N-O 2.62Å; S691-Q695 PolarHBondContact OG-N 3.14Å; S691-Q695 VanDerWaalsContact OG-N 3.12Å
692	V	95.6	Very high	97.6	Very high	7 Å²	7	12.6 Å²	12.6	4%	0.042	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.8	176.2	-61.8	0	0	0	0	113.1	P352 P386 E388 I399 F625	P352-V692 WeakPolarHBondContact CD-O 3.46Å; P386-V692 HydrophobicContact CB-CG1 4.03Å; P386-V692 HydrophobicContact CG-CG1 4.44Å; E388-V692 HydrophobicContact CG-CG2 3.99Å; I399-V692 HydrophobicContact CD1-CB 4.37Å; F625-V692 HydrophobicContact CE2-CG1 4.15Å
693	S	94.1	Very high	97.6	Very high	36 Å²	36	11.5 Å²	11.5	25%	0.252	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	0.4	173.3	60.9	0	0	0	0	114.6	E388 S691	E388-S693 WeakPolarHBondContact OE1-CB 3.36Å; E388-S693 PolarHBondContact OE1-N 2.98Å; E388-S693 PolarHBondContact OE1-OG 3.39Å; S691-S693 PolarHBondContact O-N 3.45Å; S691-S693 VanDerWaalsContact O-N 3.14Å; S691-S693 PolarHBondContact OG-N 2.97Å; S691-S693 PolarHBondContact OG-OG 2.64Å
694	G	94.6	Very high	97.5	Very high	10 Å²	10	12 Å²	12	10%	0.103	6%	0.064	C	C	.	.	S	Bend	trans	83.5	20.7	-178.2	0	0	0	0	0	114.2	S691	S691-G694 PolarHBondContact O-N 3.12Å
695	Q	94.7	Very high	97.4	Very high	86 Å²	86	12.1 Å²	12.1	40%	0.402	6%	0.064	S	C	.	.			trans	-91.5	136.1	172.9	-64.9	-174.2	-20.8	0	0	110.9	T690 S691 R697	T690-Q695 CarbonylContact C-O 3.56Å; T690-Q695 WeakPolarHBondContact CA-O 3.32Å; S691-Q695 PolarHBondContact N-O 2.62Å; S691-Q695 PolarHBondContact OG-N 3.14Å; S691-Q695 VanDerWaalsContact OG-N 3.12Å; Q695-R697 HydrophobicContact CB-CG 4.24Å; Q695-R697 VanDerWaalsContact OE1-CZ 3.27Å
696	R	97.2	Very high	97.3	Very high	19 Å²	19	13.4 Å²	13.4	7%	0.072	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	122	168.9	-159.6	74.8	179	153.2	0.7	109.1	A338 P349 N626 L688 Y689 T690	A338-R696 HydrophobicContact CB-CB 4.08Å; A338-R696 HydrophobicContact CB-CG 3.88Å; A338-R696 WeakPolarHBondContact CB-O 3.4Å; A338-R696 PolarHBondContact N-O 3.19Å; P349-R696 HydrophobicContact CG-CB 4.22Å; N626-R696 PolarHBondContact O-NH1 3.08Å; N626-R696 PolarHBondContact O-NH2 3.48Å; N626-R696 VanDerWaalsContact O-NH2 3.16Å; L688-R696 HydrophobicContact CD1-CG 4.02Å; Y689-R696 WeakPolarHBondContact O-CA 3.36Å; Y689-R696 WeakPolarHBondContact O-CD 3.21Å; T690-R696 VanDerWaalsContact N-NH1 3.1Å; T690-R696 PolarHBondContact OG1-NH1 3.3Å
697	R	97.4	Very high	97.2	Very high	19 Å²	19	13.6 Å²	13.6	7%	0.072	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	160.8	-176.4	-65.3	-171.8	-170.3	156.2	8.4	111.2	E335 L336 L337 E388 L688 Y689 Q695	E335-R697 IonicContact OE2-NH1 2.98Å; L336-R697 CarbonylContact O-C 3.55Å; L336-R697 WeakPolarHBondContact O-CA 3.33Å; L337-R697 HydrophobicContact CD2-CG 4.1Å; E388-R697 VanDerWaalsContact CD-NH2 3.31Å; E388-R697 IonicContact OE1-CZ 3.79Å; E388-R697 IonicContact OE1-NH1 3.61Å; E388-R697 IonicContact OE1-NH2 3.78Å; E388-R697 PolarHBondContact OE1-NH2 3.34Å; E388-R697 IonicContact OE2-CZ 2.92Å; E388-R697 IonicContact OE2-NH1 3.24Å; E388-R697 PolarHBondContact OE2-NH1 2.84Å; E388-R697 IonicContact OE2-NH2 3.43Å; E388-R697 PolarHBondContact OE2-NH2 2.75Å; L688-R697 WeakPolarHBondContact CA-O 3.26Å; Y689-R697 HydrophobicContact CD1-CB 4.23Å; Y689-R697 VanDerWaalsContact CD1-O 3.31Å; Y689-R697 WeakPolarHBondContact CD1-O 3.43Å; Y689-R697 HydrophobicContact CE1-CB 3.52Å; Y689-R697 HydrophobicContact CE2-CB 4.22Å; Y689-R697 PolarHBondContact N-O 3.32Å; Y689-R697 PolarHBondContact O-N 2.93Å; Y689-R697 WeakPolarHBondContact OH-CD 3.44Å; Q695-R697 HydrophobicContact CB-CG 4.24Å; Q695-R697 VanDerWaalsContact OE1-CZ 3.27Å
698	L	98.3	Very high	97.2	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116.8	174.5	-84	156.4	0	0	0	109.1	P272 Y281 E335 L336 A338 Y342 C687 L688 I700	P272-L698 HydrophobicContact CB-CD1 4.32Å; P272-L698 HydrophobicContact CG-CD1 3.68Å; Y281-L698 HydrophobicContact CD1-CD1 4.29Å; Y281-L698 HydrophobicContact CE1-CD1 3.48Å; Y281-L698 VanDerWaalsContact CE1-CD1 3.48Å; Y281-L698 HydrophobicContact CE1-CD2 4.25Å; Y281-L698 HydrophobicContact CE1-CG 4.48Å; Y281-L698 HydrophobicContact CE2-CD2 4.13Å; Y281-L698 WeakPolarHBondContact OH-CD2 3.16Å; E335-L698 CarbonylContact C-O 3.57Å; E335-L698 WeakPolarHBondContact CA-O 3.23Å; L336-L698 HydrophobicContact CB-CB 4.11Å; L336-L698 PolarHBondContact N-O 2.86Å; L336-L698 PolarHBondContact O-N 3.25Å; A338-L698 HydrophobicContact CB-CD1 4.42Å; Y342-L698 HydrophobicContact CD1-CD1 4.38Å; Y342-L698 HydrophobicContact CE1-CD1 4.01Å; C687-L698 CarbonylContact O-C 3.54Å; C687-L698 WeakPolarHBondContact O-CA 3.23Å; L688-L698 HydrophobicContact CB-CD2 3.66Å; L688-L698 HydrophobicContact CB-CG 4.43Å; L688-L698 HydrophobicContact CD1-CD1 4.35Å; L688-L698 HydrophobicContact CD1-CD2 3.8Å; L688-L698 HydrophobicContact CD1-CG 3.68Å; L688-L698 HydrophobicContact CG-CD2 4.31Å; L698-I700 HydrophobicContact CB-CD1 4.17Å; L698-I700 HydrophobicContact CD2-CD1 4.47Å
699	R	98.5	Very high	97.1	Very high	15 Å²	15	14.9 Å²	14.9	6%	0.057	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124.6	168.6	-178	167.4	-72.5	-156	-0.9	109.9	P251 F252 E335 A686 C687 Y689	P251-R699 WeakPolarHBondContact O-CD 3.45Å; P251-R699 PolarHBondContact O-NH1 2.85Å; F252-R699 VanDerWaalsContact CD1-NH1 3.27Å; F252-R699 HydrophobicContact CZ-CB 4.16Å; E335-R699 HydrophobicContact CG-CB 4.05Å; E335-R699 HydrophobicContact CG-CG 4.33Å; E335-R699 IonicContact OE1-CZ 3.59Å; E335-R699 IonicContact OE1-NE 3.47Å; E335-R699 PolarHBondContact OE1-NE 2.77Å; E335-R699 IonicContact OE1-NH2 2.74Å; E335-R699 PolarHBondContact OE1-NH2 2.84Å; A686-R699 CarbonylContact C-O 3.56Å; A686-R699 WeakPolarHBondContact CA-O 3.38Å; C687-R699 HydrophobicContact CB-CB 4.41Å; C687-R699 PolarHBondContact N-O 3.03Å; C687-R699 PolarHBondContact O-N 3.18Å; Y689-R699 HydrophobicContact CE1-CB 4.11Å
700	I	98.8	Very high	96.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.2	-176.2	-49.3	-59.2	0	0	0	109.3	Y281 S333 Y334 L336 Q684 V685 A686 L698	Y281-I700 HydrophobicContact CD2-CD1 3.54Å; Y281-I700 HydrophobicContact CE2-CD1 4.01Å; Y281-I700 HydrophobicContact CG-CD1 3.84Å; S333-I700 VanDerWaalsContact CA-O 3.29Å; S333-I700 WeakPolarHBondContact CA-O 3.48Å; Y334-I700 HydrophobicContact CD2-CB 4.21Å; Y334-I700 HydrophobicContact CD2-CG1 4.31Å; Y334-I700 HydrophobicContact CE1-CB 4.47Å; Y334-I700 HydrophobicContact CE1-CG2 4.44Å; Y334-I700 HydrophobicContact CE2-CB 3.75Å; Y334-I700 HydrophobicContact CE2-CG1 3.82Å; Y334-I700 HydrophobicContact CE2-CG2 4.14Å; Y334-I700 PolarHBondContact N-O 3.46Å; Y334-I700 VanDerWaalsContact N-O 3.14Å; Y334-I700 PolarHBondContact O-N 2.87Å; Y334-I700 WeakPolarHBondContact OH-CG2 3.48Å; L336-I700 HydrophobicContact CD1-CG1 4.15Å; L336-I700 HydrophobicContact CG-CG1 4.33Å; Q684-I700 HydrophobicContact CG-CG2 3.86Å; V685-I700 WeakPolarHBondContact O-CA 3.4Å; A686-I700 HydrophobicContact CB-CD1 3.59Å; L698-I700 HydrophobicContact CB-CD1 4.17Å; L698-I700 HydrophobicContact CD2-CD1 4.47Å
701	H	98.8	Very high	96.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.2	169.9	-57.1	-62.1	0	0	0	109.3	C219 F223 I224 P251 G332 S333 Q684 V685	C219-H701 HydrophobicContact CB-CB 3.96Å; F223-H701 AromaticContact CD1-CE1 3.6Å; F223-H701 AromaticContact CD1-NE2 3.99Å; F223-H701 AromaticContact CD2-CE1 3.78Å; F223-H701 AromaticContact CD2-ND1 3.83Å; F223-H701 AromaticContact CG-CE1 3.46Å; F223-H701 VanDerWaalsContact CG-CE1 3.46Å; F223-H701 WeakPolarHBondContact CG-CE1 3.39Å; F223-H701 AromaticContact CG-ND1 3.77Å; I224-H701 HydrophobicContact CD1-CB 3.7Å; I224-H701 HydrophobicContact CG1-CB 4.34Å; P251-H701 PolarHBondContact O-NE2 3.48Å; G332-H701 CarbonylContact O-C 3.52Å; G332-H701 WeakPolarHBondContact O-CA 3.17Å; S333-H701 WeakPolarHBondContact CB-ND1 3.41Å; S333-H701 PolarHBondContact OG-ND1 3.04Å; Q684-H701 CarbonylContact C-O 3.43Å; Q684-H701 WeakPolarHBondContact CA-O 3.45Å; V685-H701 HydrophobicContact CB-CB 4.31Å; V685-H701 PolarHBondContact N-O 3.03Å; V685-H701 PolarHBondContact O-N 3.08Å
702	N	98.7	Very high	96.7	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.2	-178.7	-53	-82.7	0	0	0	109.7	T218 C219 N283 F285 G332 Y334 I683 Q684	T218-N702 CarbonylContact C-O 3.55Å; T218-N702 WeakPolarHBondContact CA-O 3.38Å; C219-N702 PolarHBondContact N-O 3.45Å; C219-N702 PolarHBondContact SG-O 2.85Å; N283-N702 WeakPolarHBondContact CB-OD1 3.48Å; F285-N702 HydrophobicContact CD2-CB 4.41Å; F285-N702 HydrophobicContact CE2-CB 3.82Å; G332-N702 PolarHBondContact O-N 2.75Å; G332-N702 PolarHBondContact O-ND2 2.84Å; Y334-N702 VanDerWaalsContact CE1-ND2 3.28Å; Y334-N702 WeakPolarHBondContact CE1-ND2 3.5Å; Y334-N702 PolarHBondContact OH-ND2 2.62Å; Y334-N702 VanDerWaalsContact OH-ND2 3.13Å; I683-N702 CarbonylContact O-C 3.48Å; I683-N702 WeakPolarHBondContact O-CA 3.11Å; Q684-N702 WeakPolarHBondContact CG-OD1 3.48Å; Q684-N702 PolarHBondContact NE2-OD1 3.42Å
703	L	97.6	Very high	96.7	Very high	8 Å²	8	24.6 Å²	24.6	4%	0.042	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.3	179.3	175.9	62.5	0	0	0	109.5	T218 I224 L247 I683 I705	T218-L703 HydrophobicContact CG2-CD1 3.51Å; I224-L703 HydrophobicContact CG2-CD2 3.87Å; L247-L703 HydrophobicContact CD2-CD2 4.23Å; I683-L703 HydrophobicContact CB-CB 4.29Å; I683-L703 HydrophobicContact CD1-CD2 4.11Å; I683-L703 HydrophobicContact CD1-CG 4.45Å; I683-L703 PolarHBondContact N-O 3.38Å; I683-L703 PolarHBondContact O-N 2.92Å; L703-I705 HydrophobicContact CD1-CG1 4.31Å; L703-I705 HydrophobicContact CD2-CD1 3.89Å; L703-I705 HydrophobicContact CD2-CG1 4.2Å; L703-I705 HydrophobicContact CG-CD1 4.21Å; L703-I705 HydrophobicContact CG-CG1 3.94Å
704	S	96.5	Very high	96.8	Very high	12 Å²	12	23 Å²	23	8%	0.084	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.1	173.4	68.9	0	0	0	0	110.5	V681	V681-S704 CarbonylContact O-C 3.59Å; V681-S704 WeakPolarHBondContact O-CA 3.24Å
705	I	97.1	Very high	96.9	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.5	-177.5	-49.9	-176.6	0	0	0	109.3	Y229 V231 F245 L680 V681 I683 L703	Y229-I705 WeakPolarHBondContact O-CG2 3.37Å; V231-I705 HydrophobicContact CG2-CB 3.99Å; V231-I705 HydrophobicContact CG2-CG2 3.69Å; F245-I705 HydrophobicContact CE2-CD1 3.99Å; F245-I705 HydrophobicContact CZ-CD1 4.08Å; L680-I705 CarbonylContact C-O 3.56Å; L680-I705 WeakPolarHBondContact CA-O 3.46Å; V681-I705 PolarHBondContact N-O 3.21Å; V681-I705 PolarHBondContact O-N 3.01Å; I683-I705 HydrophobicContact CD1-CD1 4.08Å; L703-I705 HydrophobicContact CD1-CG1 4.31Å; L703-I705 HydrophobicContact CD2-CD1 3.89Å; L703-I705 HydrophobicContact CD2-CG1 4.2Å; L703-I705 HydrophobicContact CG-CD1 4.21Å; L703-I705 HydrophobicContact CG-CG1 3.94Å
706	P	96.9	Very high	97	Very high	27 Å²	27	25 Å²	25	18%	0.175	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	151.1	178.1	29	-35.6	0	0	0	112.5	Y229 S230 V231 L680	Y229-P706 WeakPolarHBondContact O-CD 3.35Å; S230-P706 CarbonylContact C-O 3.01Å; S230-P706 WeakPolarHBondContact CA-O 3.25Å; V231-P706 PolarHBondContact N-O 2.74Å; L680-P706 HydrophobicContact CD2-CB 4.2Å
707	V	97.7	Very high	97	Very high	9 Å²	9	25 Å²	25	6%	0.055	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	141.3	172.6	178.2	0	0	0	0	110.3	V231 N233 L675 Q676 E679 V681	V231-V707 CarbonylContact O-C 3.51Å; V231-V707 WeakPolarHBondContact O-CA 3.47Å; N233-V707 HydrophobicContact CB-CG1 3.55Å; L675-V707 HydrophobicContact CB-CG1 3.71Å; L675-V707 HydrophobicContact CB-CG2 4Å; L675-V707 HydrophobicContact CD1-CG1 4.35Å; L675-V707 HydrophobicContact CD1-CG2 3.93Å; Q676-V707 WeakPolarHBondContact O-CG1 3.04Å; E679-V707 WeakPolarHBondContact O-CG2 3.31Å; E679-V707 PolarHBondContact O-N 3.19Å; V681-V707 HydrophobicContact CG2-CG2 3.78Å
708	T	96.9	Very high	97	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.025	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	150.7	174.9	-170.8	0	0	0	0	112.8	S230 V231 P232 N233 E677 M710 D713 I714	S230-T708 WeakPolarHBondContact OG-CB 3.26Å; S230-T708 WeakPolarHBondContact OG-CG2 3.25Å; V231-T708 PolarHBondContact O-N 2.91Å; P232-T708 CarbonylContact C-O 3.52Å; P232-T708 WeakPolarHBondContact CA-O 3.47Å; N233-T708 PolarHBondContact N-O 3.23Å; E677-T708 WeakPolarHBondContact OE1-CA 3.33Å; E677-T708 WeakPolarHBondContact OE2-CA 3.45Å; T708-M710 PolarHBondContact OG1-N 2.88Å; T708-D713 HydrophobicContact CG2-CB 4.22Å; T708-D713 PolarHBondContact OG1-OD2 2.92Å; T708-I714 HydrophobicContact CG2-CD1 4.07Å; T708-I714 HydrophobicContact CG2-CG1 3.5Å; T708-I714 VanDerWaalsContact CG2-CG1 3.5Å
709	S	96.4	Very high	96.9	Very high	50 Å²	50	24.3 Å²	24.3	35%	0.35	13%	0.125	S	C	.	.	S	Bend	trans	-99.5	-8.4	168.9	59.4	0	0	0	0	112.2	N233 E677	N233-S709 WeakPolarHBondContact ND2-CB 3.32Å; E677-S709 VanDerWaalsContact CD-OG 3.23Å; E677-S709 PolarHBondContact OE1-N 3.49Å; E677-S709 PolarHBondContact OE1-OG 3.2Å; E677-S709 WeakPolarHBondContact OE2-CB 3.49Å; E677-S709 PolarHBondContact OE2-N 3.05Å; E677-S709 PolarHBondContact OE2-OG 3.42Å
710	M	95.2	Very high	96.9	Very high	103 Å²	103	24.1 Å²	24.1	51%	0.507	13%	0.126	S	C	.	.			trans	-97.3	112.1	-171.5	-62.5	-62.1	-70.8	0	0	111.3	T708 P712 D713 I714	T708-M710 PolarHBondContact OG1-N 2.88Å; M710-P712 VanDerWaalsContact C-CD 3.45Å; M710-P712 VanDerWaalsContact C-N 3.34Å; M710-D713 HydrophobicContact CB-CB 4.39Å; M710-D713 WeakPolarHBondContact O-CB 3.32Å; M710-D713 PolarHBondContact O-N 2.78Å; M710-I714 PolarHBondContact O-N 3.42Å
711	I	95.6	Very high	96.9	Very high	20 Å²	20	24.5 Å²	24.5	10%	0.103	13%	0.128	C	C	.	.	H	α-helix	trans	-52.3	-42.4	175.8	-61.7	178.1	0	0	0	113.3	L237 T240 V241 D713 I714 F715 H761	L237-I711 HydrophobicContact CD1-CD1 3.78Å; L237-I711 HydrophobicContact CD1-CG1 3.43Å; L237-I711 VanDerWaalsContact CD1-CG1 3.43Å; T240-I711 HydrophobicContact CG2-CD1 4.11Å; V241-I711 HydrophobicContact CG2-CG1 4.23Å; V241-I711 HydrophobicContact CG2-CG2 4.06Å; I711-D713 VanDerWaalsContact C-N 3.26Å; I711-D713 PolarHBondContact O-N 2.82Å; I711-I714 WeakPolarHBondContact O-CB 3.44Å; I711-I714 PolarHBondContact O-N 2.97Å; I711-I714 VanDerWaalsContact O-N 3.13Å; I711-F715 HydrophobicContact CG2-CD2 3.64Å; I711-F715 HydrophobicContact CG2-CE2 3.56Å; I711-F715 PolarHBondContact O-N 3.15Å; I711-H761 HydrophobicContact CB-CB 4.21Å; I711-H761 HydrophobicContact CD1-CB 3.72Å; I711-H761 HydrophobicContact CG2-CB 3.9Å
712	P	94.9	Very high	96.9	Very high	50 Å²	50	24.5 Å²	24.5	33%	0.325	13%	0.128	S	C	.	.	H	α-helix	trans	-58.8	-33	177.3	-26.6	35.6	0	0	0	114.5	M710 R716	M710-P712 VanDerWaalsContact C-CD 3.45Å; M710-P712 VanDerWaalsContact C-N 3.34Å; P712-R716 WeakPolarHBondContact O-CB 3.46Å; P712-R716 PolarHBondContact O-N 2.8Å; P712-R716 VanDerWaalsContact O-N 3.14Å
713	D	94.6	Very high	96.9	Very high	45 Å²	45	24.7 Å²	24.7	24%	0.241	13%	0.129	C	C	.	.	H	α-helix	trans	-69.9	-38.1	177.7	-67.8	-20.1	0	0	0	111.2	T708 M710 I711 R716 L717	T708-D713 HydrophobicContact CG2-CB 4.22Å; T708-D713 PolarHBondContact OG1-OD2 2.92Å; M710-D713 HydrophobicContact CB-CB 4.39Å; M710-D713 WeakPolarHBondContact O-CB 3.32Å; M710-D713 PolarHBondContact O-N 2.78Å; I711-D713 VanDerWaalsContact C-N 3.26Å; I711-D713 PolarHBondContact O-N 2.82Å; D713-R716 PolarHBondContact O-N 2.86Å; D713-R716 IonicContact OD1-CZ 3.06Å; D713-R716 IonicContact OD1-NH1 3.8Å; D713-R716 PolarHBondContact OD1-NH1 3.06Å; D713-R716 IonicContact OD1-NH2 3.86Å; D713-R716 PolarHBondContact OD1-NH2 3.35Å; D713-L717 WeakPolarHBondContact O-CB 3.49Å; D713-L717 PolarHBondContact O-N 2.9Å
714	I	96.8	Very high	96.9	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-61.9	-49	179	-59	165.3	0	0	0	110	L228 P232 L237 V241 T708 M710 I711 R716 L717 V718	L228-I714 HydrophobicContact CD2-CG2 3.79Å; P232-I714 HydrophobicContact CB-CD1 3.95Å; P232-I714 HydrophobicContact CG-CD1 3.67Å; P232-I714 HydrophobicContact CG-CG1 4.31Å; L237-I714 HydrophobicContact CD2-CD1 4Å; L237-I714 HydrophobicContact CG-CD1 4.11Å; V241-I714 HydrophobicContact CG1-CG2 3.93Å; V241-I714 HydrophobicContact CG2-CD1 3.99Å; V241-I714 HydrophobicContact CG2-CG2 4.4Å; T708-I714 HydrophobicContact CG2-CD1 4.07Å; T708-I714 HydrophobicContact CG2-CG1 3.5Å; T708-I714 VanDerWaalsContact CG2-CG1 3.5Å; M710-I714 PolarHBondContact O-N 3.42Å; I711-I714 WeakPolarHBondContact O-CB 3.44Å; I711-I714 PolarHBondContact O-N 2.97Å; I711-I714 VanDerWaalsContact O-N 3.13Å; I714-R716 VanDerWaalsContact C-N 3.31Å; I714-R716 PolarHBondContact O-N 2.82Å; I714-L717 CarbonylContact O-C 3.49Å; I714-L717 PolarHBondContact O-N 3.17Å; I714-V718 PolarHBondContact O-N 3.48Å
715	F	96.8	Very high	97	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.018	12%	0.123	C	C	.	.	H	α-helix	trans	-69.1	-25.3	178	-79.4	-73.4	0	0	0	114	V241 I243 I711 V718 T754 A757 Y758 P779 M782	V241-F715 HydrophobicContact CG1-CE1 4.39Å; V241-F715 HydrophobicContact CG1-CE2 4.01Å; V241-F715 HydrophobicContact CG1-CZ 3.86Å; V241-F715 HydrophobicContact CG2-CE2 4.43Å; I243-F715 HydrophobicContact CD1-CD1 4.09Å; I243-F715 HydrophobicContact CD1-CE1 3.79Å; I243-F715 HydrophobicContact CD1-CZ 4.47Å; I711-F715 HydrophobicContact CG2-CD2 3.64Å; I711-F715 HydrophobicContact CG2-CE2 3.56Å; I711-F715 PolarHBondContact O-N 3.15Å; F715-V718 WeakPolarHBondContact O-CG1 3.33Å; F715-T754 HydrophobicContact CE1-CG2 3.88Å; F715-T754 HydrophobicContact CZ-CG2 4.27Å; F715-T754 WeakPolarHBondContact CZ-O 3.4Å; F715-A757 HydrophobicContact CZ-CB 4.47Å; F715-Y758 HydrophobicContact CB-CD2 3.95Å; F715-Y758 HydrophobicContact CB-CE2 4.12Å; F715-Y758 AromaticContact CD1-CD2 3.96Å; F715-Y758 HydrophobicContact CD1-CD2 3.96Å; F715-Y758 HydrophobicContact CD1-CG 4.44Å; F715-Y758 AromaticContact CD2-CD2 3.7Å; F715-Y758 HydrophobicContact CD2-CD2 3.7Å; F715-Y758 HydrophobicContact CE1-CD2 4.38Å; F715-Y758 HydrophobicContact CE1-CG 4.49Å; F715-Y758 HydrophobicContact CE2-CD2 4.13Å; F715-Y758 AromaticContact CG-CD2 3.6Å; F715-Y758 HydrophobicContact CG-CD2 3.6Å; F715-Y758 HydrophobicContact CG-CE2 4.28Å; F715-Y758 HydrophobicContact CG-CG 4.46Å; F715-Y758 HydrophobicContact CZ-CD2 4.46Å; F715-P779 HydrophobicContact CB-CB 4.26Å; F715-P779 HydrophobicContact CD1-CB 4.04Å; F715-P779 HydrophobicContact CD1-CG 3.64Å; F715-P779 HydrophobicContact CE1-CG 4.11Å; F715-P779 HydrophobicContact CG-CB 4.5Å; F715-P779 HydrophobicContact CG-CG 4.43Å; F715-M782 HydrophobicContact CD1-SD 4.02Å; F715-M782 HydrophobicContact CE1-SD 4.11Å
716	R	95.9	Very high	97.1	Very high	136 Å²	136	24.1 Å²	24.1	51%	0.513	12%	0.124	S	C	.	.	H	α-helix	trans	-76	-25.9	174.1	-163	-168.7	-44.9	111.7	11.1	112.4	P712 D713 I714 N781	P712-R716 WeakPolarHBondContact O-CB 3.46Å; P712-R716 PolarHBondContact O-N 2.8Å; P712-R716 VanDerWaalsContact O-N 3.14Å; D713-R716 PolarHBondContact O-N 2.86Å; D713-R716 IonicContact OD1-CZ 3.06Å; D713-R716 IonicContact OD1-NH1 3.8Å; D713-R716 PolarHBondContact OD1-NH1 3.06Å; D713-R716 IonicContact OD1-NH2 3.86Å; D713-R716 PolarHBondContact OD1-NH2 3.35Å; I714-R716 VanDerWaalsContact C-N 3.31Å; I714-R716 PolarHBondContact O-N 2.82Å; R716-N781 PolarHBondContact O-ND2 3.02Å
717	L	96.8	Very high	97.2	Very high	19 Å²	19	22.8 Å²	22.8	10%	0.099	12%	0.116	C	C	.	.	S	Bend	trans	-116.5	18.5	-173.2	-61.6	177.4	0	0	0	113.6	G201 V203 Y229 D713 I714	G201-L717 WeakPolarHBondContact O-CD2 3.38Å; V203-L717 VanDerWaalsContact CG2-CA 3.49Å; V203-L717 HydrophobicContact CG2-CB 4.19Å; V203-L717 HydrophobicContact CG2-CD2 3.83Å; Y229-L717 PolarHBondContact N-O 3.42Å; D713-L717 WeakPolarHBondContact O-CB 3.49Å; D713-L717 PolarHBondContact O-N 2.9Å; I714-L717 CarbonylContact O-C 3.49Å; I714-L717 PolarHBondContact O-N 3.17Å
718	V	97.5	Very high	97.2	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-76.2	141.5	169.1	66	0	0	0	0	110.4	S227 L228 I243 I714 F715 N781 M782	S227-V718 WeakPolarHBondContact O-CA 3.32Å; S227-V718 WeakPolarHBondContact O-CG2 3.48Å; L228-V718 HydrophobicContact CD2-CB 4.46Å; L228-V718 HydrophobicContact CD2-CG2 4.34Å; I243-V718 HydrophobicContact CD1-CB 4.42Å; I243-V718 HydrophobicContact CD1-CG2 3.96Å; I243-V718 HydrophobicContact CG2-CG2 4.13Å; I714-V718 PolarHBondContact O-N 3.48Å; F715-V718 WeakPolarHBondContact O-CG1 3.33Å; V718-N781 HydrophobicContact CG1-CB 3.82Å; V718-N781 WeakPolarHBondContact O-CB 3.23Å; V718-N781 PolarHBondContact O-ND2 2.83Å; V718-M782 HydrophobicContact CG1-CG 3.5Å; V718-M782 HydrophobicContact CG1-SD 3.88Å; V718-M782 HydrophobicContact CG2-CG 4.46Å; V718-M782 HydrophobicContact CG2-SD 4.25Å
719	E	97.5	Very high	97.3	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.014	11%	0.113	C	C	.	.			trans	-106.7	104.9	168.5	-166.6	-172.7	147.7	0	0	109.4	V203 R225 S226 S227 Y229 D721 A722 H723	V203-E719 HydrophobicContact CG1-CB 4.1Å; V203-E719 HydrophobicContact CG1-CG 4.2Å; R225-E719 WeakPolarHBondContact CD-OE1 3.41Å; R225-E719 IonicContact CZ-OE1 3.02Å; R225-E719 IonicContact NE-OE1 2.65Å; R225-E719 VanDerWaalsContact NH1-CD 3.34Å; R225-E719 IonicContact NH1-OE1 3.16Å; R225-E719 PolarHBondContact NH1-OE1 3.22Å; R225-E719 IonicContact NH1-OE2 3.77Å; S226-E719 WeakPolarHBondContact O-CB 3.41Å; S227-E719 PolarHBondContact O-N 3.01Å; Y229-E719 HydrophobicContact CD2-CB 4.39Å; Y229-E719 HydrophobicContact CE2-CB 3.87Å; Y229-E719 HydrophobicContact CE2-CG 4.5Å; Y229-E719 WeakPolarHBondContact CE2-OE2 3.05Å; Y229-E719 PolarHBondContact OH-OE2 3.19Å; E719-D721 PolarHBondContact O-N 3.31Å; E719-A722 HydrophobicContact CB-CB 4.27Å; E719-A722 HydrophobicContact CG-CB 4.27Å; E719-A722 PolarHBondContact O-N 3.47Å; E719-H723 PolarHBondContact O-N 3.41Å; E719-H723 VanDerWaalsContact O-N 3.13Å
720	L	98.2	Very high	97.3	Very high	12 Å²	12	22.5 Å²	22.5	6%	0.063	11%	0.106	C	C	.	.	H	α-helix	trans	-61.9	-41	-173.6	175.9	62.1	0	0	0	112.8	A722 H723 M724 N781 M782 V784 F785 Y788	L720-A722 PolarHBondContact O-N 2.83Å; L720-H723 WeakPolarHBondContact O-CB 3.3Å; L720-H723 PolarHBondContact O-N 3.41Å; L720-M724 HydrophobicContact CD1-CG 3.95Å; L720-M724 HydrophobicContact CD1-SD 4.44Å; L720-M724 HydrophobicContact CG-CG 4.25Å; L720-M724 WeakPolarHBondContact O-CG 3.26Å; L720-M724 PolarHBondContact O-N 3.46Å; L720-N781 WeakPolarHBondContact CB-O 3.43Å; L720-M782 HydrophobicContact CD1-CE 4.2Å; L720-V784 HydrophobicContact CD2-CG2 3.55Å; L720-F785 HydrophobicContact CD1-CB 3.76Å; L720-F785 HydrophobicContact CD1-CD2 3.53Å; L720-F785 HydrophobicContact CD1-CE2 4.34Å; L720-F785 HydrophobicContact CD1-CG 3.91Å; L720-F785 HydrophobicContact CD2-CB 4.24Å; L720-Y788 HydrophobicContact CD2-CD2 3.68Å; L720-Y788 HydrophobicContact CD2-CE2 3.91Å; L720-Y788 HydrophobicContact CG-CD2 4.02Å; L720-Y788 HydrophobicContact CG-CE2 4.36Å
721	D	98.3	Very high	97.5	Very high	8 Å²	8	17.6 Å²	17.6	4%	0.043	8%	0.082	C	C	.	.	H	α-helix	trans	-63.7	-42.2	-177.3	-63	-38.7	0	0	0	111.5	V207 E719 M724 N725 V821 N825	V207-D721 HydrophobicContact CG2-CB 4.4Å; E719-D721 PolarHBondContact O-N 3.31Å; D721-M724 PolarHBondContact O-N 2.98Å; D721-N725 WeakPolarHBondContact O-CB 3.26Å; D721-N725 PolarHBondContact O-N 2.78Å; D721-V821 HydrophobicContact CB-CG1 3.41Å; D721-V821 VanDerWaalsContact CB-CG1 3.41Å; D721-N825 PolarHBondContact OD1-ND2 3.22Å
722	A	98.5	Very high	97.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.3	-39.2	175.3	0	0	0	0	0	111.8	R225 E719 L720 N725 W726 V821	R225-A722 HydrophobicContact CB-CB 4.22Å; E719-A722 HydrophobicContact CB-CB 4.27Å; E719-A722 HydrophobicContact CG-CB 4.27Å; E719-A722 PolarHBondContact O-N 3.47Å; L720-A722 PolarHBondContact O-N 2.83Å; A722-N725 PolarHBondContact O-N 3.41Å; A722-W726 PolarHBondContact O-N 2.8Å; A722-W726 VanDerWaalsContact O-N 3.11Å; A722-V821 HydrophobicContact CB-CG2 4.36Å
723	H	98.5	Very high	97.6	Very high	5 Å²	5	20.6 Å²	20.6	2%	0.023	9%	0.086	C	C	.	.	H	α-helix	trans	-62	-45	172.8	177.3	57.2	0	0	0	112.1	E719 L720 N725 W726 L727 F785	E719-H723 PolarHBondContact O-N 3.41Å; E719-H723 VanDerWaalsContact O-N 3.13Å; L720-H723 WeakPolarHBondContact O-CB 3.3Å; L720-H723 PolarHBondContact O-N 3.41Å; H723-N725 VanDerWaalsContact C-N 3.33Å; H723-N725 PolarHBondContact O-N 3.26Å; H723-W726 PolarHBondContact O-N 2.81Å; H723-L727 WeakPolarHBondContact O-CB 3.27Å; H723-L727 PolarHBondContact O-N 2.91Å; H723-F785 AromaticContact CD2-CE2 3.67Å; H723-F785 AromaticContact CD2-CZ 3.99Å; H723-F785 AromaticContact NE2-CE2 3.67Å; H723-F785 AromaticContact NE2-CZ 3.59Å
724	M	98.6	Very high	97.6	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.015	8%	0.079	C	C	.	.	H	α-helix	trans	-65.9	-33.9	177.6	-72.3	-54.6	-54.8	0	0	112.5	L720 D721 L727 S728 F785 Y788 I789 L792 I828	L720-M724 HydrophobicContact CD1-CG 3.95Å; L720-M724 HydrophobicContact CD1-SD 4.44Å; L720-M724 HydrophobicContact CG-CG 4.25Å; L720-M724 WeakPolarHBondContact O-CG 3.26Å; L720-M724 PolarHBondContact O-N 3.46Å; D721-M724 PolarHBondContact O-N 2.98Å; M724-L727 HydrophobicContact CE-CD2 4.49Å; M724-L727 PolarHBondContact O-N 2.71Å; M724-L727 HydrophobicContact SD-CD2 4.3Å; M724-S728 WeakPolarHBondContact O-CB 3.15Å; M724-S728 PolarHBondContact O-N 3.02Å; M724-S728 PolarHBondContact O-OG 2.73Å; M724-F785 HydrophobicContact SD-CD2 3.82Å; M724-F785 HydrophobicContact SD-CE2 3.75Å; M724-Y788 HydrophobicContact CG-CD2 3.98Å; M724-I789 HydrophobicContact CE-CD1 4.14Å; M724-I789 HydrophobicContact SD-CD1 4.07Å; M724-I789 HydrophobicContact SD-CG1 4.36Å; M724-L792 HydrophobicContact CE-CB 4.22Å; M724-L792 HydrophobicContact CE-CD2 3.98Å; M724-I828 HydrophobicContact CB-CD1 3.92Å; M724-I828 HydrophobicContact CE-CD1 4.04Å
725	N	98.8	Very high	97.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63	-44.2	172.6	-177.3	-94.4	0	0	0	112.1	T248 T666 D721 A722 H723 S728 K729 M819 D820 V821 S824	T248-N725 WeakPolarHBondContact CG2-OD1 3.36Å; T248-N725 PolarHBondContact OG1-OD1 2.91Å; T666-N725 PolarHBondContact OG1-OD1 3.1Å; D721-N725 WeakPolarHBondContact O-CB 3.26Å; D721-N725 PolarHBondContact O-N 2.78Å; A722-N725 PolarHBondContact O-N 3.41Å; H723-N725 VanDerWaalsContact C-N 3.33Å; H723-N725 PolarHBondContact O-N 3.26Å; N725-S728 PolarHBondContact O-OG 2.83Å; N725-K729 WeakPolarHBondContact O-CG 3.37Å; N725-K729 PolarHBondContact O-N 2.78Å; N725-M819 PolarHBondContact ND2-O 3.24Å; N725-D820 VanDerWaalsContact ND2-C 3.3Å; N725-D820 PolarHBondContact ND2-O 3.46Å; N725-V821 HydrophobicContact CB-CG2 4.28Å; N725-S824 WeakPolarHBondContact CB-OG 3.3Å; N725-S824 WeakPolarHBondContact ND2-CB 3.01Å; N725-S824 PolarHBondContact ND2-OG 2.81Å
726	W	98.6	Very high	97.3	Very high	6 Å²	6	21.7 Å²	21.7	2%	0.023	9%	0.093	C	C	.	.	H	α-helix	trans	-64.1	-46.5	173.3	167.2	88.4	0	0	0	111.1	P244 S246 F643 T666 E668 A722 H723 S728 K729 Y730	P244-W726 HydrophobicContact CB-CH2 4.34Å; P244-W726 HydrophobicContact CB-CZ2 4.15Å; P244-W726 HydrophobicContact CG-CD2 3.65Å; P244-W726 HydrophobicContact CG-CE3 3.42Å; P244-W726 VanDerWaalsContact CG-CE3 3.42Å; P244-W726 HydrophobicContact CG-CH2 3.6Å; P244-W726 HydrophobicContact CG-CZ2 3.76Å; P244-W726 HydrophobicContact CG-CZ3 3.4Å; P244-W726 VanDerWaalsContact CG-CZ3 3.4Å; S246-W726 WeakPolarHBondContact OG-CB 3.39Å; F643-W726 AromaticContact CE2-CD1 3.95Å; F643-W726 AromaticContact CE2-NE1 3.8Å; T666-W726 HydrophobicContact CG2-CB 4Å; E668-W726 PolarHBondContact OE2-NE1 3Å; E668-W726 VanDerWaalsContact OE2-NE1 3.14Å; A722-W726 PolarHBondContact O-N 2.8Å; A722-W726 VanDerWaalsContact O-N 3.11Å; H723-W726 PolarHBondContact O-N 2.81Å; W726-S728 VanDerWaalsContact C-N 3.33Å; W726-S728 PolarHBondContact O-N 2.77Å; W726-K729 PolarHBondContact O-N 3.23Å; W726-Y730 HydrophobicContact CH2-CD1 4.22Å; W726-Y730 HydrophobicContact CH2-CD2 4.32Å; W726-Y730 HydrophobicContact CH2-CG 4.02Å; W726-Y730 HydrophobicContact CZ2-CD1 4.43Å; W726-Y730 AromaticContact CZ2-CD2 3.74Å; W726-Y730 HydrophobicContact CZ2-CD2 3.74Å; W726-Y730 HydrophobicContact CZ2-CE2 4.35Å; W726-Y730 AromaticContact CZ2-CG 3.8Å; W726-Y730 HydrophobicContact CZ2-CG 3.8Å; W726-Y730 WeakPolarHBondContact O-CB 3.23Å; W726-Y730 PolarHBondContact O-N 2.9Å
727	L	98.4	Very high	97.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.7	-37.1	-174.5	-176	59.9	0	0	0	112	H723 M724 S731 L747 I789	H723-L727 WeakPolarHBondContact O-CB 3.27Å; H723-L727 PolarHBondContact O-N 2.91Å; M724-L727 HydrophobicContact CE-CD2 4.49Å; M724-L727 PolarHBondContact O-N 2.71Å; M724-L727 HydrophobicContact SD-CD2 4.3Å; L727-S731 WeakPolarHBondContact O-CB 3.45Å; L727-S731 PolarHBondContact O-N 2.8Å; L727-S731 PolarHBondContact O-OG 2.91Å; L727-S731 VanDerWaalsContact O-OG 3.07Å; L727-L747 HydrophobicContact CD1-CD2 3.79Å; L727-L747 HydrophobicContact CD2-CD2 3.77Å; L727-L747 HydrophobicContact CG-CD2 3.64Å; L727-I789 HydrophobicContact CD2-CD1 3.19Å
728	S	98.4	Very high	97.1	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-62.7	-45.3	174.8	67.2	0	0	0	0	111.3	M724 N725 W726 M732 F798	M724-S728 WeakPolarHBondContact O-CB 3.15Å; M724-S728 PolarHBondContact O-N 3.02Å; M724-S728 PolarHBondContact O-OG 2.73Å; N725-S728 PolarHBondContact O-OG 2.83Å; W726-S728 VanDerWaalsContact C-N 3.33Å; W726-S728 PolarHBondContact O-N 2.77Å; S728-M732 WeakPolarHBondContact O-CB 3.34Å; S728-M732 PolarHBondContact O-N 3.25Å; S728-F798 WeakPolarHBondContact O-CZ 3.42Å
729	K	98.4	Very high	96.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67	-44.7	178	-64.5	-176.7	-172.2	-171.8	0	112.5	F643 T666 N725 W726 R733 V816 N817 M819	F643-K729 HydrophobicContact CB-CB 3.78Å; F643-K729 HydrophobicContact CB-CD 3.7Å; F643-K729 HydrophobicContact CB-CG 4.34Å; F643-K729 HydrophobicContact CD1-CB 4.12Å; F643-K729 HydrophobicContact CG-CB 4.04Å; T666-K729 WeakPolarHBondContact OG1-CE 3.39Å; T666-K729 PolarHBondContact OG1-NZ 2.99Å; N725-K729 WeakPolarHBondContact O-CG 3.37Å; N725-K729 PolarHBondContact O-N 2.78Å; W726-K729 PolarHBondContact O-N 3.23Å; K729-R733 WeakPolarHBondContact O-CB 3.24Å; K729-R733 PolarHBondContact O-N 3.29Å; K729-V816 WeakPolarHBondContact CE-O 3.42Å; K729-N817 WeakPolarHBondContact CE-O 3.36Å; K729-N817 PolarHBondContact NZ-O 3.44Å; K729-N817 VanDerWaalsContact NZ-O 3.16Å; K729-M819 VanDerWaalsContact CE-O 3.22Å; K729-M819 WeakPolarHBondContact CE-O 3.24Å; K729-M819 PolarHBondContact NZ-O 2.85Å
730	Y	97.8	Very high	96.4	Very high	54 Å²	54	27.2 Å²	27.2	21%	0.212	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-49.9	178	176.2	-88.6	0	0	0	111.9	F643 W726 R733 S734 R750	F643-Y730 HydrophobicContact CE1-CD2 4.41Å; F643-Y730 AromaticContact CZ-CD2 4Å; F643-Y730 HydrophobicContact CZ-CD2 4Å; W726-Y730 HydrophobicContact CH2-CD1 4.22Å; W726-Y730 HydrophobicContact CH2-CD2 4.32Å; W726-Y730 HydrophobicContact CH2-CG 4.02Å; W726-Y730 HydrophobicContact CZ2-CD1 4.43Å; W726-Y730 AromaticContact CZ2-CD2 3.74Å; W726-Y730 HydrophobicContact CZ2-CD2 3.74Å; W726-Y730 HydrophobicContact CZ2-CE2 4.35Å; W726-Y730 AromaticContact CZ2-CG 3.8Å; W726-Y730 HydrophobicContact CZ2-CG 3.8Å; W726-Y730 WeakPolarHBondContact O-CB 3.23Å; W726-Y730 PolarHBondContact O-N 2.9Å; Y730-R733 PolarHBondContact O-N 3Å; Y730-S734 PolarHBondContact O-N 2.75Å; Y730-S734 PolarHBondContact O-OG 3.42Å; Y730-S734 VanDerWaalsContact O-OG 3.08Å; Y730-R750 PolarHBondContact OH-NH2 2.98Å
731	S	97.7	Very high	96	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-73.6	-34.6	-177.1	-61.8	0	0	0	0	112	L727 S734 L735 L747	L727-S731 WeakPolarHBondContact O-CB 3.45Å; L727-S731 PolarHBondContact O-N 2.8Å; L727-S731 PolarHBondContact O-OG 2.91Å; L727-S731 VanDerWaalsContact O-OG 3.07Å; S731-S734 WeakPolarHBondContact O-CB 3.37Å; S731-S734 PolarHBondContact O-N 2.88Å; S731-L735 PolarHBondContact O-N 2.91Å; S731-L747 VanDerWaalsContact OG-CD2 3.28Å; S731-L747 WeakPolarHBondContact OG-CD2 3.48Å
732	M	96.7	Very high	95.8	Very high	11 Å²	11	33.7 Å²	33.7	5%	0.054	16%	0.163	C	C	.	.	H	α-helix	trans	-61.9	-46.1	173.6	176.7	-80.9	-66.8	0	0	111	S728 S734 L735 F798 M813 V816 N817	S728-M732 WeakPolarHBondContact O-CB 3.34Å; S728-M732 PolarHBondContact O-N 3.25Å; M732-S734 PolarHBondContact O-N 3.02Å; M732-L735 VanDerWaalsContact O-CB 3.31Å; M732-L735 WeakPolarHBondContact O-CB 3.32Å; M732-L735 PolarHBondContact O-N 3.2Å; M732-F798 HydrophobicContact CB-CE1 4.48Å; M732-F798 HydrophobicContact CB-CE2 4.17Å; M732-F798 HydrophobicContact CB-CZ 3.79Å; M732-M813 HydrophobicContact CG-CB 4Å; M732-M813 HydrophobicContact CG-CE 3.92Å; M732-M813 HydrophobicContact CG-CG 3.86Å; M732-M813 HydrophobicContact SD-CB 3.92Å; M732-M813 HydrophobicContact SD-CE 3.63Å; M732-M813 HydrophobicContact SD-CG 4.27Å; M732-V816 HydrophobicContact CB-CG1 4.32Å; M732-N817 HydrophobicContact CE-CB 3.59Å
733	R	95.9	Very high	95.7	Very high	122 Å²	122	33.8 Å²	33.8	46%	0.46	16%	0.163	S	C	.	.	H	α-helix	trans	-59.6	-33.4	176.3	-171.7	179	-176.8	179.1	8.5	112.1	E641 K729 Y730 L735 L736	E641-R733 IonicContact OE1-CZ 3.75Å; E641-R733 IonicContact OE1-NH1 2.93Å; E641-R733 PolarHBondContact OE1-NH1 2.86Å; K729-R733 WeakPolarHBondContact O-CB 3.24Å; K729-R733 PolarHBondContact O-N 3.29Å; Y730-R733 PolarHBondContact O-N 3Å; R733-L735 VanDerWaalsContact C-N 3.26Å; R733-L735 PolarHBondContact O-N 3.36Å; R733-L736 WeakPolarHBondContact O-CB 3.35Å; R733-L736 PolarHBondContact O-N 3.1Å
734	S	95.7	Very high	95.5	Very high	13 Å²	13	34.5 Å²	34.5	9%	0.091	17%	0.167	C	C	.	.	H	α-helix	trans	-66.2	-23.7	176.8	-61.6	0	0	0	0	113.4	Y730 S731 M732 L736 N737 R738	Y730-S734 PolarHBondContact O-N 2.75Å; Y730-S734 PolarHBondContact O-OG 3.42Å; Y730-S734 VanDerWaalsContact O-OG 3.08Å; S731-S734 WeakPolarHBondContact O-CB 3.37Å; S731-S734 PolarHBondContact O-N 2.88Å; M732-S734 PolarHBondContact O-N 3.02Å; S734-L736 PolarHBondContact O-N 2.97Å; S734-N737 PolarHBondContact O-N 3.1Å; S734-N737 PolarHBondContact O-OD1 2.9Å; S734-R738 WeakPolarHBondContact O-CB 3.22Å; S734-R738 PolarHBondContact O-N 3.25Å
735	L	93.8	Very high	95.4	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.6	175.5	-65.7	167.3	0	0	0	112.9	S731 M732 R733 N737 V743 F798 M813	S731-L735 PolarHBondContact O-N 2.91Å; M732-L735 VanDerWaalsContact O-CB 3.31Å; M732-L735 WeakPolarHBondContact O-CB 3.32Å; M732-L735 PolarHBondContact O-N 3.2Å; R733-L735 VanDerWaalsContact C-N 3.26Å; R733-L735 PolarHBondContact O-N 3.36Å; L735-N737 VanDerWaalsContact C-N 3.27Å; L735-N737 PolarHBondContact O-N 2.92Å; L735-V743 HydrophobicContact CD2-CB 3.93Å; L735-V743 HydrophobicContact CD2-CG1 4.12Å; L735-V743 HydrophobicContact CD2-CG2 3.84Å; L735-V743 HydrophobicContact CG-CG1 4.38Å; L735-V743 HydrophobicContact CG-CG2 4.33Å; L735-F798 HydrophobicContact CD1-CD1 3.93Å; L735-F798 HydrophobicContact CD1-CE1 4.28Å; L735-F798 HydrophobicContact CD1-CG 4.34Å; L735-M813 HydrophobicContact CB-CE 4.3Å
736	L	93.9	Very high	95.3	Very high	54 Å²	54	40.1 Å²	40.1	28%	0.283	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.5	178.8	-59.4	178.2	0	0	0	113	L549 L550 R733 S734 M813	L549-L736 HydrophobicContact CB-CD2 3.89Å; L550-L736 HydrophobicContact CD2-CB 4.28Å; L550-L736 HydrophobicContact CD2-CD2 4.46Å; R733-L736 WeakPolarHBondContact O-CB 3.35Å; R733-L736 PolarHBondContact O-N 3.1Å; S734-L736 PolarHBondContact O-N 2.97Å; L736-M813 HydrophobicContact CD2-CE 3.72Å; L736-M813 HydrophobicContact CG-CE 4.25Å
737	N	94.1	Very high	95.3	Very high	110 Å²	110	39.9 Å²	39.9	59%	0.588	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.2	-13.9	-176.4	60.9	20.7	0	0	0	115.1	S734 L735	S734-N737 PolarHBondContact O-N 3.1Å; S734-N737 PolarHBondContact O-OD1 2.9Å; L735-N737 VanDerWaalsContact C-N 3.27Å; L735-N737 PolarHBondContact O-N 2.92Å
738	R	93	Very high	95.2	Very high	82 Å²	82	40.5 Å²	40.5	31%	0.309	20%	0.2	S	C	.	.	S	Bend	trans	-115.5	163.8	176.5	-64.7	172.7	70.1	-169.5	-0.2	111.2	S734 Q742 V743 D746	S734-R738 WeakPolarHBondContact O-CB 3.22Å; S734-R738 PolarHBondContact O-N 3.25Å; R738-Q742 HydrophobicContact CB-CB 4.48Å; R738-Q742 PolarHBondContact NH2-O 3.5Å; R738-V743 HydrophobicContact CB-CG2 4.09Å; R738-D746 IonicContact NH1-OD2 3.74Å
739	T	90.3	Very high	95.2	Very high	28 Å²	28	43.4 Å²	43.4	17%	0.172	22%	0.218	C	C	.	.			trans	-76.6	154.5	177.1	71.3	0	0	0	0	110.9	E543 S741 Q742 V743	E543-T739 HydrophobicContact CB-CG2 4.09Å; E543-T739 HydrophobicContact CG-CG2 3.79Å; T739-S741 VanDerWaalsContact C-N 3.32Å; T739-S741 PolarHBondContact O-N 2.71Å; T739-Q742 VanDerWaalsContact N-OE1 3.11Å; T739-Q742 WeakPolarHBondContact O-CB 3.48Å; T739-Q742 PolarHBondContact O-N 2.97Å; T739-Q742 VanDerWaalsContact O-N 3.16Å; T739-Q742 VanDerWaalsContact OG1-CG 3.25Å; T739-Q742 WeakPolarHBondContact OG1-CG 3.28Å; T739-Q742 PolarHBondContact OG1-N 2.97Å; T739-Q742 PolarHBondContact OG1-OE1 3.36Å; T739-V743 PolarHBondContact O-N 2.93Å
740	H	90.4	Very high	95.1	Very high	54 Å²	54	47 Å²	47	25%	0.25	23%	0.231	C	C	.	.	H	α-helix	trans	-50.5	-49.8	175.9	168.9	-102	0	0	0	112.5	Q742 V743 M744 F798	H740-Q742 VanDerWaalsContact C-N 3.33Å; H740-Q742 PolarHBondContact O-N 2.92Å; H740-V743 PolarHBondContact O-N 2.66Å; H740-V743 VanDerWaalsContact O-N 3.1Å; H740-M744 WeakPolarHBondContact NE2-CG 3.49Å; H740-M744 WeakPolarHBondContact O-CG 3.34Å; H740-M744 PolarHBondContact O-N 2.63Å; H740-F798 PolarHBondContact CD2-O 3.44Å; H740-F798 PolarHBondContact NE2-O 2.95Å
741	S	90.8	Very high	95.1	Very high	69 Å²	69	44.4 Å²	44.4	48%	0.483	22%	0.221	S	C	.	.	H	α-helix	trans	-56.1	-46.8	179.5	-165.4	0	0	0	0	111.7	T739 V743 M744 D745	T739-S741 VanDerWaalsContact C-N 3.32Å; T739-S741 PolarHBondContact O-N 2.71Å; S741-V743 PolarHBondContact O-N 3.43Å; S741-M744 PolarHBondContact O-N 3.24Å; S741-D745 WeakPolarHBondContact O-CB 3.42Å; S741-D745 PolarHBondContact O-N 3.08Å
742	Q	94.3	Very high	95.1	Very high	88 Å²	88	44.4 Å²	44.4	41%	0.411	22%	0.222	S	C	.	.	H	α-helix	trans	-61.5	-33.4	179.9	-73.1	172.1	-21.2	0	0	113	R738 T739 H740 D746	R738-Q742 HydrophobicContact CB-CB 4.48Å; R738-Q742 PolarHBondContact NH2-O 3.5Å; T739-Q742 VanDerWaalsContact N-OE1 3.11Å; T739-Q742 WeakPolarHBondContact O-CB 3.48Å; T739-Q742 PolarHBondContact O-N 2.97Å; T739-Q742 VanDerWaalsContact O-N 3.16Å; T739-Q742 VanDerWaalsContact OG1-CG 3.25Å; T739-Q742 WeakPolarHBondContact OG1-CG 3.28Å; T739-Q742 PolarHBondContact OG1-N 2.97Å; T739-Q742 PolarHBondContact OG1-OE1 3.36Å; H740-Q742 VanDerWaalsContact C-N 3.33Å; H740-Q742 PolarHBondContact O-N 2.92Å; Q742-D746 WeakPolarHBondContact O-CB 3.23Å; Q742-D746 PolarHBondContact O-N 3.01Å; Q742-D746 VanDerWaalsContact O-N 3.1Å
743	V	95.4	Very high	95.1	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-75.2	-40.9	177.4	177.8	0	0	0	0	110.9	L735 R738 T739 H740 S741 D745 D746 L747 F798	L735-V743 HydrophobicContact CD2-CB 3.93Å; L735-V743 HydrophobicContact CD2-CG1 4.12Å; L735-V743 HydrophobicContact CD2-CG2 3.84Å; L735-V743 HydrophobicContact CG-CG1 4.38Å; L735-V743 HydrophobicContact CG-CG2 4.33Å; R738-V743 HydrophobicContact CB-CG2 4.09Å; T739-V743 PolarHBondContact O-N 2.93Å; H740-V743 PolarHBondContact O-N 2.66Å; H740-V743 VanDerWaalsContact O-N 3.1Å; S741-V743 PolarHBondContact O-N 3.43Å; V743-D745 VanDerWaalsContact C-N 3.35Å; V743-D746 PolarHBondContact O-N 3.4Å; V743-L747 HydrophobicContact CG1-CD1 4.5Å; V743-L747 WeakPolarHBondContact O-CG 3.48Å; V743-L747 PolarHBondContact O-N 3.43Å; V743-F798 HydrophobicContact CG1-CD1 4.47Å; V743-F798 HydrophobicContact CG1-CE1 4.33Å
744	M	94.5	Very high	95.2	Very high	21 Å²	21	41.6 Å²	41.6	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-41.6	175	-61	-50.2	104.8	0	0	111.9	H740 S741 L747 T748 M793 F798	H740-M744 WeakPolarHBondContact NE2-CG 3.49Å; H740-M744 WeakPolarHBondContact O-CG 3.34Å; H740-M744 PolarHBondContact O-N 2.63Å; S741-M744 PolarHBondContact O-N 3.24Å; M744-L747 HydrophobicContact CE-CD1 4.24Å; M744-L747 PolarHBondContact O-N 2.95Å; M744-L747 HydrophobicContact SD-CD1 4.44Å; M744-T748 PolarHBondContact O-N 2.84Å; M744-T748 PolarHBondContact O-OG1 3.36Å; M744-M793 HydrophobicContact CB-SD 4.12Å; M744-M793 HydrophobicContact SD-CB 3.58Å; M744-M793 VanDerWaalsContact SD-CB 3.58Å; M744-M793 HydrophobicContact SD-CG 3.45Å; M744-M793 WeakPolarHBondContact SD-CG 3.5Å; M744-M793 HydrophobicContact SD-SD 3.95Å; M744-F798 HydrophobicContact CE-CB 4.05Å; M744-F798 HydrophobicContact CE-CD1 3.68Å; M744-F798 HydrophobicContact CE-CG 4.35Å
745	D	96.1	Very high	95.2	Very high	92 Å²	92	41 Å²	41	49%	0.492	21%	0.212	S	C	.	.	H	α-helix	trans	-64.7	-41.2	176.6	-64.2	-25.7	0	0	0	110.8	S741 V743 T748 T749	S741-D745 WeakPolarHBondContact O-CB 3.42Å; S741-D745 PolarHBondContact O-N 3.08Å; V743-D745 VanDerWaalsContact C-N 3.35Å; D745-T748 PolarHBondContact O-N 3.09Å; D745-T749 VanDerWaalsContact O-CB 3.24Å; D745-T749 WeakPolarHBondContact O-CB 3.5Å; D745-T749 PolarHBondContact O-N 3.06Å; D745-T749 PolarHBondContact O-OG1 2.81Å
746	D	97.5	Very high	95.2	Very high	29 Å²	29	40.8 Å²	40.8	16%	0.155	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-41.3	176.4	-170.1	48.8	0	0	0	112	R738 Q742 V743 T749 R750	R738-D746 IonicContact NH1-OD2 3.74Å; Q742-D746 WeakPolarHBondContact O-CB 3.23Å; Q742-D746 PolarHBondContact O-N 3.01Å; Q742-D746 VanDerWaalsContact O-N 3.1Å; V743-D746 PolarHBondContact O-N 3.4Å; D746-T749 PolarHBondContact O-N 2.79Å; D746-R750 VanDerWaalsContact CG-NE 3.34Å; D746-R750 WeakPolarHBondContact O-CB 3.43Å; D746-R750 VanDerWaalsContact O-CG 3.24Å; D746-R750 WeakPolarHBondContact O-CG 3.48Å; D746-R750 PolarHBondContact O-N 3.35Å; D746-R750 IonicContact OD1-CZ 2.81Å; D746-R750 IonicContact OD1-NE 3.34Å; D746-R750 PolarHBondContact OD1-NE 3.06Å; D746-R750 IonicContact OD1-NH2 3.48Å; D746-R750 PolarHBondContact OD1-NH2 3.31Å; D746-R750 IonicContact OD2-CZ 3.45Å; D746-R750 IonicContact OD2-NE 3.26Å; D746-R750 PolarHBondContact OD2-NE 3.03Å; D746-R750 IonicContact OD2-NH2 2.94Å; D746-R750 PolarHBondContact OD2-NH2 3.17Å
747	L	97.7	Very high	95.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.9	-49.3	174.6	-78.7	170.2	0	0	0	111.5	L727 S731 V743 M744 R750 A751 I789 L792 M793 F798	L727-L747 HydrophobicContact CD1-CD2 3.79Å; L727-L747 HydrophobicContact CD2-CD2 3.77Å; L727-L747 HydrophobicContact CG-CD2 3.64Å; S731-L747 VanDerWaalsContact OG-CD2 3.28Å; S731-L747 WeakPolarHBondContact OG-CD2 3.48Å; V743-L747 HydrophobicContact CG1-CD1 4.5Å; V743-L747 WeakPolarHBondContact O-CG 3.48Å; V743-L747 PolarHBondContact O-N 3.43Å; M744-L747 HydrophobicContact CE-CD1 4.24Å; M744-L747 PolarHBondContact O-N 2.95Å; M744-L747 HydrophobicContact SD-CD1 4.44Å; L747-R750 PolarHBondContact O-N 2.71Å; L747-A751 PolarHBondContact O-N 3.25Å; L747-A751 VanDerWaalsContact O-N 3.09Å; L747-I789 HydrophobicContact CB-CG2 4.21Å; L747-I789 HydrophobicContact CD2-CD1 4.32Å; L747-L792 HydrophobicContact CD1-CD2 4.41Å; L747-L792 HydrophobicContact CD2-CD2 4.05Å; L747-M793 HydrophobicContact CB-CG 4.46Å; L747-M793 HydrophobicContact CB-SD 4.25Å; L747-M793 HydrophobicContact CD1-CG 3.64Å; L747-M793 HydrophobicContact CD1-SD 4.41Å; L747-F798 HydrophobicContact CD1-CD1 4.38Å; L747-F798 HydrophobicContact CD1-CE1 4.3Å
748	T	97.3	Very high	95.3	Very high	13 Å²	13	35.2 Å²	35.2	8%	0.08	18%	0.179	C	C	.	.	H	α-helix	trans	-64.7	-42.6	178.5	-61.4	0	0	0	0	111.6	M744 D745 R750 A751 A752 Y967 I971	M744-T748 PolarHBondContact O-N 2.84Å; M744-T748 PolarHBondContact O-OG1 3.36Å; D745-T748 PolarHBondContact O-N 3.09Å; T748-R750 PolarHBondContact O-N 3.34Å; T748-A751 PolarHBondContact O-N 2.94Å; T748-A752 WeakPolarHBondContact O-CB 3.41Å; T748-A752 PolarHBondContact O-N 3.45Å; T748-Y967 WeakPolarHBondContact CA-OH 3.38Å; T748-Y967 HydrophobicContact CG2-CE2 4.02Å; T748-Y967 PolarHBondContact OG1-OH 3.02Å; T748-I971 HydrophobicContact CG2-CD1 3.81Å
749	T	97.7	Very high	95.3	Very high	65 Å²	65	32.3 Å²	32.3	40%	0.399	17%	0.168	S	C	.	.	H	α-helix	trans	-62.2	-43	177.7	-60.7	0	0	0	0	111.7	D745 D746 A752 N753	D745-T749 VanDerWaalsContact O-CB 3.24Å; D745-T749 WeakPolarHBondContact O-CB 3.5Å; D745-T749 PolarHBondContact O-N 3.06Å; D745-T749 PolarHBondContact O-OG1 2.81Å; D746-T749 PolarHBondContact O-N 2.79Å; T749-A752 PolarHBondContact O-N 3.41Å; T749-N753 WeakPolarHBondContact CG2-ND2 3.49Å; T749-N753 WeakPolarHBondContact O-CB 3.33Å; T749-N753 PolarHBondContact O-N 2.89Å; T749-N753 PolarHBondContact O-ND2 2.9Å
750	R	97.4	Very high	95.3	Very high	74 Å²	74	36.3 Å²	36.3	28%	0.279	18%	0.18	S	C	.	.	H	α-helix	trans	-62.1	-46.1	175.8	-74.5	171.8	-168	-78.2	-9.1	111.4	Y730 D746 L747 T748 A752 N753 T754	Y730-R750 PolarHBondContact OH-NH2 2.98Å; D746-R750 VanDerWaalsContact CG-NE 3.34Å; D746-R750 WeakPolarHBondContact O-CB 3.43Å; D746-R750 VanDerWaalsContact O-CG 3.24Å; D746-R750 WeakPolarHBondContact O-CG 3.48Å; D746-R750 PolarHBondContact O-N 3.35Å; D746-R750 IonicContact OD1-CZ 2.81Å; D746-R750 IonicContact OD1-NE 3.34Å; D746-R750 PolarHBondContact OD1-NE 3.06Å; D746-R750 IonicContact OD1-NH2 3.48Å; D746-R750 PolarHBondContact OD1-NH2 3.31Å; D746-R750 IonicContact OD2-CZ 3.45Å; D746-R750 IonicContact OD2-NE 3.26Å; D746-R750 PolarHBondContact OD2-NE 3.03Å; D746-R750 IonicContact OD2-NH2 2.94Å; D746-R750 PolarHBondContact OD2-NH2 3.17Å; L747-R750 PolarHBondContact O-N 2.71Å; T748-R750 PolarHBondContact O-N 3.34Å; R750-A752 PolarHBondContact O-N 2.91Å; R750-N753 PolarHBondContact O-N 3.49Å; R750-T754 PolarHBondContact O-N 3.22Å; R750-T754 PolarHBondContact O-OG1 3.47Å
751	A	97.5	Very high	95.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-47.5	177.3	0	0	0	0	0	111.5	L747 T748 N753 T754 L755 F785 I789 I971	L747-A751 PolarHBondContact O-N 3.25Å; L747-A751 VanDerWaalsContact O-N 3.09Å; T748-A751 PolarHBondContact O-N 2.94Å; A751-N753 PolarHBondContact O-N 3.47Å; A751-T754 PolarHBondContact O-N 3.27Å; A751-L755 WeakPolarHBondContact O-CB 3.49Å; A751-L755 VanDerWaalsContact O-CG 3.24Å; A751-L755 WeakPolarHBondContact O-CG 3.49Å; A751-L755 PolarHBondContact O-N 3.38Å; A751-F785 HydrophobicContact CB-CE1 4.07Å; A751-F785 HydrophobicContact CB-CZ 4.24Å; A751-I789 HydrophobicContact CB-CG1 4.06Å; A751-I971 HydrophobicContact CB-CD1 4.02Å
752	A	97.5	Very high	95.3	Very high	1 Å²	1	36 Å²	36	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-44.4	178.2	0	0	0	0	0	112.4	T748 T749 R750 L755 A756 E974 V975 L978	T748-A752 WeakPolarHBondContact O-CB 3.41Å; T748-A752 PolarHBondContact O-N 3.45Å; T749-A752 PolarHBondContact O-N 3.41Å; R750-A752 PolarHBondContact O-N 2.91Å; A752-L755 PolarHBondContact O-N 2.93Å; A752-A756 VanDerWaalsContact O-CB 3.24Å; A752-A756 WeakPolarHBondContact O-CB 3.37Å; A752-A756 PolarHBondContact O-N 2.75Å; A752-E974 HydrophobicContact CB-CB 3.64Å; A752-V975 HydrophobicContact CB-CG2 4.23Å; A752-L978 HydrophobicContact CB-CD1 3.88Å
753	N	97.2	Very high	94.5	Very high	71 Å²	71	32.4 Å²	32.4	38%	0.38	16%	0.159	S	C	.	.	H	α-helix	trans	-61.3	-47	177.7	-79.3	-49.1	0	0	0	112.6	T749 R750 A751 L755 A756 A757 L978	T749-N753 WeakPolarHBondContact CG2-ND2 3.49Å; T749-N753 WeakPolarHBondContact O-CB 3.33Å; T749-N753 PolarHBondContact O-N 2.89Å; T749-N753 PolarHBondContact O-ND2 2.9Å; R750-N753 PolarHBondContact O-N 3.49Å; A751-N753 PolarHBondContact O-N 3.47Å; N753-L755 VanDerWaalsContact C-N 3.34Å; N753-L755 PolarHBondContact O-N 2.94Å; N753-A756 PolarHBondContact O-N 3.22Å; N753-A757 WeakPolarHBondContact O-CB 3.38Å; N753-A757 PolarHBondContact O-N 3.01Å; N753-L978 WeakPolarHBondContact OD1-CD1 3.21Å
754	T	97.3	Very high	92.9	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-41.9	178.6	-62.4	0	0	0	0	111.8	G242 I243 F715 R750 A751 A757 Y758 M782 F785	G242-T754 PolarHBondContact O-OG1 3.11Å; G242-T754 VanDerWaalsContact O-OG1 3.13Å; I243-T754 HydrophobicContact CD1-CG2 4Å; I243-T754 HydrophobicContact CG1-CG2 3.67Å; F715-T754 HydrophobicContact CE1-CG2 3.88Å; F715-T754 HydrophobicContact CZ-CG2 4.27Å; F715-T754 WeakPolarHBondContact CZ-O 3.4Å; R750-T754 PolarHBondContact O-N 3.22Å; R750-T754 PolarHBondContact O-OG1 3.47Å; A751-T754 PolarHBondContact O-N 3.27Å; T754-A757 WeakPolarHBondContact O-CB 3.5Å; T754-A757 PolarHBondContact O-N 3.09Å; T754-Y758 PolarHBondContact O-N 2.78Å; T754-Y758 VanDerWaalsContact O-N 3.09Å; T754-M782 HydrophobicContact CG2-CE 4.03Å; T754-M782 HydrophobicContact CG2-SD 4.32Å; T754-F785 HydrophobicContact CG2-CE1 4.18Å
755	L	96.1	Very high	91.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-72.4	-35.5	178.4	-64.8	174.5	0	0	0	112.5	A751 A752 N753 A757 Y758 R759 L778 F785 P786 I971 V975	A751-L755 WeakPolarHBondContact O-CB 3.49Å; A751-L755 VanDerWaalsContact O-CG 3.24Å; A751-L755 WeakPolarHBondContact O-CG 3.49Å; A751-L755 PolarHBondContact O-N 3.38Å; A752-L755 PolarHBondContact O-N 2.93Å; N753-L755 VanDerWaalsContact C-N 3.34Å; N753-L755 PolarHBondContact O-N 2.94Å; L755-A757 VanDerWaalsContact C-N 3.34Å; L755-Y758 PolarHBondContact O-N 3.47Å; L755-R759 PolarHBondContact O-N 2.86Å; L755-L778 HydrophobicContact CD1-CD2 3.99Å; L755-L778 HydrophobicContact CD2-CD2 3.67Å; L755-L778 HydrophobicContact CG-CD2 4.42Å; L755-F785 HydrophobicContact CD2-CD1 4.39Å; L755-F785 HydrophobicContact CG-CD1 4.49Å; L755-P786 HydrophobicContact CD1-CG 3.93Å; L755-I971 HydrophobicContact CD1-CG2 3.68Å; L755-V975 HydrophobicContact CB-CG2 3.81Å
756	A	94.5	Very high	88.7	Confident	2 Å²	2	38 Å²	38	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-39.3	172.5	0	0	0	0	0	111.5	A752 N753 R759 R760 V975 L978 L979	A752-A756 VanDerWaalsContact O-CB 3.24Å; A752-A756 WeakPolarHBondContact O-CB 3.37Å; A752-A756 PolarHBondContact O-N 2.75Å; N753-A756 PolarHBondContact O-N 3.22Å; A756-R759 PolarHBondContact O-N 3.4Å; A756-R760 VanDerWaalsContact O-CB 3.32Å; A756-R760 WeakPolarHBondContact O-CB 3.47Å; A756-R760 PolarHBondContact O-N 2.9Å; A756-V975 HydrophobicContact CB-CG1 4.17Å; A756-L978 HydrophobicContact CB-CB 3.97Å; A756-L978 HydrophobicContact CB-CD1 4.2Å; A756-L979 HydrophobicContact CB-CD2 4.4Å; A756-L979 HydrophobicContact CB-CG 4.48Å
757	A	94.7	Very high	86.3	Confident	4 Å²	4	43.7 Å²	43.7	3%	0.033	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-46.5	173.4	0	0	0	0	0	111.7	T240 F715 N753 T754 L755 R759 R760 H761	T240-A757 WeakPolarHBondContact O-CB 3.18Å; F715-A757 HydrophobicContact CZ-CB 4.47Å; N753-A757 WeakPolarHBondContact O-CB 3.38Å; N753-A757 PolarHBondContact O-N 3.01Å; T754-A757 WeakPolarHBondContact O-CB 3.5Å; T754-A757 PolarHBondContact O-N 3.09Å; L755-A757 VanDerWaalsContact C-N 3.34Å; A757-R759 PolarHBondContact O-N 3.13Å; A757-R760 PolarHBondContact O-N 2.78Å; A757-H761 WeakPolarHBondContact O-CB 3.45Å; A757-H761 PolarHBondContact O-CD2 2.76Å; A757-H761 PolarHBondContact O-N 2.85Å
758	Y	95.1	Very high	84.1	Confident	43 Å²	43	47.7 Å²	47.7	17%	0.169	26%	0.262	C	S	.	.	H	α-helix	trans	-59.6	-46.5	174.7	179.9	-111.7	0	0	0	112.3	F715 T754 L755 R760 H761 C762 A763 V777 L778 P779	F715-Y758 HydrophobicContact CB-CD2 3.95Å; F715-Y758 HydrophobicContact CB-CE2 4.12Å; F715-Y758 AromaticContact CD1-CD2 3.96Å; F715-Y758 HydrophobicContact CD1-CD2 3.96Å; F715-Y758 HydrophobicContact CD1-CG 4.44Å; F715-Y758 AromaticContact CD2-CD2 3.7Å; F715-Y758 HydrophobicContact CD2-CD2 3.7Å; F715-Y758 HydrophobicContact CE1-CD2 4.38Å; F715-Y758 HydrophobicContact CE1-CG 4.49Å; F715-Y758 HydrophobicContact CE2-CD2 4.13Å; F715-Y758 AromaticContact CG-CD2 3.6Å; F715-Y758 HydrophobicContact CG-CD2 3.6Å; F715-Y758 HydrophobicContact CG-CE2 4.28Å; F715-Y758 HydrophobicContact CG-CG 4.46Å; F715-Y758 HydrophobicContact CZ-CD2 4.46Å; T754-Y758 PolarHBondContact O-N 2.78Å; T754-Y758 VanDerWaalsContact O-N 3.09Å; L755-Y758 PolarHBondContact O-N 3.47Å; Y758-R760 VanDerWaalsContact C-N 3.35Å; Y758-R760 PolarHBondContact O-N 2.86Å; Y758-H761 PolarHBondContact O-N 3.49Å; Y758-C762 HydrophobicContact CD2-CB 3.51Å; Y758-C762 HydrophobicContact CE2-CB 3.39Å; Y758-C762 HydrophobicContact CG-CB 4.33Å; Y758-C762 WeakPolarHBondContact O-CA 3.47Å; Y758-C762 WeakPolarHBondContact O-CB 3.4Å; Y758-C762 PolarHBondContact O-N 3.41Å; Y758-A763 PolarHBondContact O-N 3.4Å; Y758-V777 HydrophobicContact CD1-CG1 4.5Å; Y758-V777 HydrophobicContact CE1-CG1 3.82Å; Y758-L778 VanDerWaalsContact CE1-C 3.42Å; Y758-P779 HydrophobicContact CD1-CB 4.41Å; Y758-P779 HydrophobicContact CD1-CG 3.79Å; Y758-P779 HydrophobicContact CD2-CB 4.05Å; Y758-P779 HydrophobicContact CD2-CG 3.82Å; Y758-P779 HydrophobicContact CE1-CB 4.21Å; Y758-P779 HydrophobicContact CE1-CG 4.06Å; Y758-P779 VanDerWaalsContact CE1-N 3.34Å; Y758-P779 HydrophobicContact CE2-CB 3.86Å; Y758-P779 HydrophobicContact CE2-CG 4.11Å; Y758-P779 HydrophobicContact CG-CB 4.33Å; Y758-P779 HydrophobicContact CG-CG 3.65Å
759	R	91.7	Very high	81.9	Confident	21 Å²	21	53.7 Å²	53.7	8%	0.079	30%	0.298	C	S	.	.	I	π-helix	trans	-59.6	-46.1	178.6	-178.3	57.9	174.8	-137.6	-3.5	111.3	L755 A756 A757 C764 S771 N772 E775 L979	L755-R759 PolarHBondContact O-N 2.86Å; A756-R759 PolarHBondContact O-N 3.4Å; A757-R759 PolarHBondContact O-N 3.13Å; R759-C764 PolarHBondContact NE-SG 2.92Å; R759-C764 WeakPolarHBondContact O-CB 3.39Å; R759-C764 PolarHBondContact O-N 3.05Å; R759-C764 VanDerWaalsContact O-N 3.09Å; R759-C764 PolarHBondContact O-SG 3.4Å; R759-S771 PolarHBondContact NH2-O 2.92Å; R759-N772 PolarHBondContact NH2-O 2.86Å; R759-E775 PolarHBondContact NH1-O 2.61Å; R759-L979 HydrophobicContact CB-CD1 4.11Å; R759-L979 HydrophobicContact CB-CD2 4.4Å; R759-L979 HydrophobicContact CG-CD1 3.55Å; R759-L979 HydrophobicContact CG-CD2 4.33Å
760	R	91.1	Very high	79.7	Confident	112 Å²	112	57.1 Å²	57.1	42%	0.423	31%	0.314	S	S	.	.	I	π-helix	trans	-66.7	-37.6	-178.1	-174.4	176.1	-75.1	114.9	-6.8	113.4	A756 A757 Y758 L978 L979	A756-R760 VanDerWaalsContact O-CB 3.32Å; A756-R760 WeakPolarHBondContact O-CB 3.47Å; A756-R760 PolarHBondContact O-N 2.9Å; A757-R760 PolarHBondContact O-N 2.78Å; Y758-R760 VanDerWaalsContact C-N 3.35Å; Y758-R760 PolarHBondContact O-N 2.86Å; R760-L978 PolarHBondContact NH2-O 2.8Å; R760-L979 HydrophobicContact CB-CD2 4.12Å
761	H	90.8	Very high	77.9	Confident	83 Å²	83	54.9 Å²	54.9	38%	0.384	31%	0.309	S	S	.	.	I	π-helix	trans	-111	-13.9	-167.8	-63.3	-66.2	0	0	0	115.4	I711 A757 Y758	I711-H761 HydrophobicContact CB-CB 4.21Å; I711-H761 HydrophobicContact CD1-CB 3.72Å; I711-H761 HydrophobicContact CG2-CB 3.9Å; A757-H761 WeakPolarHBondContact O-CB 3.45Å; A757-H761 PolarHBondContact O-CD2 2.76Å; A757-H761 PolarHBondContact O-N 2.85Å; Y758-H761 PolarHBondContact O-N 3.49Å
762	C	89.5	Confident	76.7	Confident	34 Å²	34	58.5 Å²	58.5	23%	0.23	33%	0.329	C	S	.	.	I	π-helix	trans	-123.3	-42.5	-177.3	-57.2	0	0	0	0	113.3	Y758	Y758-C762 HydrophobicContact CD2-CB 3.51Å; Y758-C762 HydrophobicContact CE2-CB 3.39Å; Y758-C762 HydrophobicContact CG-CB 4.33Å; Y758-C762 WeakPolarHBondContact O-CA 3.47Å; Y758-C762 WeakPolarHBondContact O-CB 3.4Å; Y758-C762 PolarHBondContact O-N 3.41Å
763	A	78	Confident	75.6	Confident	12 Å²	12	63.4 Å²	63.4	10%	0.099	36%	0.361	C	S	.	.	I	π-helix	trans	-88.6	-29.5	-175.9	0	0	0	0	0	113.2	Y758 G765 S771 V777	Y758-A763 PolarHBondContact O-N 3.4Å; A763-G765 PolarHBondContact O-N 3.37Å; A763-S771 PolarHBondContact O-OG 3.24Å; A763-V777 HydrophobicContact CB-CB 4.34Å; A763-V777 HydrophobicContact CB-CG1 3.67Å
764	C	62.6	Low	74.8	Confident	61 Å²	61	62.9 Å²	62.9	41%	0.412	36%	0.362	S	S	.	.			trans	-97.4	68	175.4	-65.8	0	0	0	0	111.4	R759	R759-C764 PolarHBondContact NE-SG 2.92Å; R759-C764 WeakPolarHBondContact O-CB 3.39Å; R759-C764 PolarHBondContact O-N 3.05Å; R759-C764 VanDerWaalsContact O-N 3.09Å; R759-C764 PolarHBondContact O-SG 3.4Å
765	G	55	Low	74.2	Confident	36 Å²	36	67.6 Å²	67.6	37%	0.371	38%	0.384	S	S	.	.			trans	-69.6	150.9	164.6	0	0	0	0	0	110.7	A763 N767 D768	A763-G765 PolarHBondContact O-N 3.37Å; G765-N767 PolarHBondContact O-N 3Å; G765-D768 PolarHBondContact O-N 2.95Å
766	P	47.3	Very low	73.8	Confident	135 Å²	135	69.8 Å²	69.8	88%	0.877	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-7.9	179.8	20.4	-31	0	0	0	115.1
767	N	46.6	Very low	73.6	Confident	149 Å²	149	71.5 Å²	71.5	80%	0.797	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-0.2	179.2	-64.6	-22.7	0	0	0	114.3	G765 V769	G765-N767 PolarHBondContact O-N 3Å; N767-V769 PolarHBondContact O-N 2.67Å
768	D	52	Low	73.5	Confident	84 Å²	84	72.5 Å²	72.5	45%	0.449	41%	0.411	S	S	.	.			trans	-95.4	79.2	-176.3	-151.6	-13.5	0	0	0	111.9	G765 N770	G765-D768 PolarHBondContact O-N 2.95Å; D768-N770 PolarHBondContact O-N 3.41Å; D768-N770 VanDerWaalsContact O-N 3.11Å; D768-N770 PolarHBondContact OD1-N 3.32Å
769	V	50.9	Low	73.4	Confident	139 Å²	139	70.5 Å²	70.5	84%	0.842	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-6.3	179.2	-161.7	0	0	0	0	112.2	N767	N767-V769 PolarHBondContact O-N 2.67Å
770	N	52	Low	73.4	Confident	136 Å²	136	75.3 Å²	75.3	73%	0.727	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-4.3	-172.7	-67.2	-26.9	0	0	0	114.8	D768 N772	D768-N770 PolarHBondContact O-N 3.41Å; D768-N770 VanDerWaalsContact O-N 3.11Å; D768-N770 PolarHBondContact OD1-N 3.32Å; N770-N772 PolarHBondContact O-N 2.66Å
771	S	59.5	Low	73.6	Confident	27 Å²	27	72.8 Å²	72.8	19%	0.189	42%	0.421	C	S	.	.			trans	-76.1	84.9	179.4	-66.8	0	0	0	0	111.4	R759 A763 P773	R759-S771 PolarHBondContact NH2-O 2.92Å; A763-S771 PolarHBondContact O-OG 3.24Å; S771-P773 WeakPolarHBondContact O-CD 3.22Å
772	N	71.3	Confident	73.8	Confident	77 Å²	77	68.8 Å²	68.8	41%	0.412	40%	0.403	S	S	.	.			trans	-56.6	127.1	176.5	-173.1	-8.1	0	0	0	109.9	R759 N770 S774 E775	R759-N772 PolarHBondContact NH2-O 2.86Å; N770-N772 PolarHBondContact O-N 2.66Å; N772-S774 PolarHBondContact ND2-OG 3.4Å; N772-S774 PolarHBondContact O-N 3.12Å; N772-S774 VanDerWaalsContact O-N 3.14Å; N772-S774 PolarHBondContact OD1-N 2.89Å; N772-S774 VanDerWaalsContact OD1-N 3.16Å; N772-S774 PolarHBondContact OD1-OG 3.38Å; N772-S774 VanDerWaalsContact OD1-OG 3.08Å; N772-E775 HydrophobicContact CB-CG 4.1Å; N772-E775 PolarHBondContact O-N 2.92Å
773	P	74.4	Confident	74	Confident	104 Å²	104	70.9 Å²	70.9	68%	0.675	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.7	176.8	-25.5	33.4	0	0	0	113.6	S771 E775	S771-P773 WeakPolarHBondContact O-CD 3.22Å; P773-E775 PolarHBondContact O-N 2.87Å
774	S	79.4	Confident	74.9	Confident	59 Å²	59	70.5 Å²	70.5	41%	0.413	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	1.4	177.4	71.8	0	0	0	0	114.5	N772	N772-S774 PolarHBondContact ND2-OG 3.4Å; N772-S774 PolarHBondContact O-N 3.12Å; N772-S774 VanDerWaalsContact O-N 3.14Å; N772-S774 PolarHBondContact OD1-N 2.89Å; N772-S774 VanDerWaalsContact OD1-N 3.16Å; N772-S774 PolarHBondContact OD1-OG 3.38Å; N772-S774 VanDerWaalsContact OD1-OG 3.08Å
775	E	86.2	Confident	76.6	Confident	102 Å²	102	67.6 Å²	67.6	48%	0.477	39%	0.385	S	S	.	.	S	Bend	trans	-107.3	131.3	-178.6	-68.4	178.3	-174.8	0	0	112	R759 N772 P773 V777	R759-E775 PolarHBondContact NH1-O 2.61Å; N772-E775 HydrophobicContact CB-CG 4.1Å; N772-E775 PolarHBondContact O-N 2.92Å; P773-E775 PolarHBondContact O-N 2.87Å; E775-V777 PolarHBondContact O-N 3.21Å
776	L	87.8	Confident	78.6	Confident	45 Å²	45	65.9 Å²	65.9	24%	0.236	37%	0.367	C	S	.	.			trans	-82.5	106.5	167.2	-177.3	62.1	0	0	0	109.4	L778 L968 I971 H972 V975	L776-L778 HydrophobicContact CD1-CD2 4.34Å; L776-L778 HydrophobicContact CD2-CD2 4.08Å; L776-L778 HydrophobicContact CG-CD2 3.87Å; L776-L778 HydrophobicContact CG-CG 4.38Å; L776-L968 HydrophobicContact CD2-CD2 4.03Å; L776-I971 HydrophobicContact CD2-CG2 4.16Å; L776-H972 HydrophobicContact CB-CB 4.26Å; L776-H972 HydrophobicContact CD1-CB 4.47Å; L776-H972 HydrophobicContact CD2-CB 4.33Å; L776-V975 HydrophobicContact CD1-CB 4.47Å; L776-V975 HydrophobicContact CD1-CG1 4.45Å; L776-V975 HydrophobicContact CD1-CG2 4.3Å
777	V	90.2	Very high	80.9	Confident	38 Å²	38	59.5 Å²	59.5	23%	0.23	33%	0.325	C	S	.	.			trans	-93.6	125.1	179.6	172.1	0	0	0	0	110.2	Y758 A763 E775	Y758-V777 HydrophobicContact CD1-CG1 4.5Å; Y758-V777 HydrophobicContact CE1-CG1 3.82Å; A763-V777 HydrophobicContact CB-CB 4.34Å; A763-V777 HydrophobicContact CB-CG1 3.67Å; E775-V777 PolarHBondContact O-N 3.21Å
778	L	92.6	Very high	83.4	Confident	26 Å²	26	52.8 Å²	52.8	14%	0.136	29%	0.289	C	S	.	.			trans	-113.8	143.9	-174	-57.6	177.4	0	0	0	111.5	P178 L755 Y758 L776 K783 P786	P178-L778 HydrophobicContact CG-CD1 4.23Å; L755-L778 HydrophobicContact CD1-CD2 3.99Å; L755-L778 HydrophobicContact CD2-CD2 3.67Å; L755-L778 HydrophobicContact CG-CD2 4.42Å; Y758-L778 VanDerWaalsContact CE1-C 3.42Å; L776-L778 HydrophobicContact CD1-CD2 4.34Å; L776-L778 HydrophobicContact CD2-CD2 4.08Å; L776-L778 HydrophobicContact CG-CD2 3.87Å; L776-L778 HydrophobicContact CG-CG 4.38Å; L778-K783 HydrophobicContact CB-CG 4.42Å; L778-K783 WeakPolarHBondContact CD1-O 3.49Å; L778-P786 HydrophobicContact CD2-CG 4.24Å
779	P	93.3	Very high	85.6	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	27%	0.268	C	S	.	.			trans	-66.7	143.1	172.6	-5.1	17.2	0	0	0	110.7	F715 Y758 N781 M782 K783	F715-P779 HydrophobicContact CB-CB 4.26Å; F715-P779 HydrophobicContact CD1-CB 4.04Å; F715-P779 HydrophobicContact CD1-CG 3.64Å; F715-P779 HydrophobicContact CE1-CG 4.11Å; F715-P779 HydrophobicContact CG-CB 4.5Å; F715-P779 HydrophobicContact CG-CG 4.43Å; Y758-P779 HydrophobicContact CD1-CB 4.41Å; Y758-P779 HydrophobicContact CD1-CG 3.79Å; Y758-P779 HydrophobicContact CD2-CB 4.05Å; Y758-P779 HydrophobicContact CD2-CG 3.82Å; Y758-P779 HydrophobicContact CE1-CB 4.21Å; Y758-P779 HydrophobicContact CE1-CG 4.06Å; Y758-P779 VanDerWaalsContact CE1-N 3.34Å; Y758-P779 HydrophobicContact CE2-CB 3.86Å; Y758-P779 HydrophobicContact CE2-CG 4.11Å; Y758-P779 HydrophobicContact CG-CB 4.33Å; Y758-P779 HydrophobicContact CG-CG 3.65Å; P779-N781 PolarHBondContact O-N 3.39Å; P779-M782 HydrophobicContact CB-CB 4.13Å; P779-M782 HydrophobicContact CB-CG 4.49Å; P779-M782 HydrophobicContact CG-CB 3.87Å; P779-M782 HydrophobicContact CG-CG 4.35Å; P779-M782 HydrophobicContact CG-SD 4.28Å; P779-M782 CarbonylContact O-C 3.28Å; P779-M782 VanDerWaalsContact O-C 3.28Å; P779-M782 WeakPolarHBondContact O-CA 3.19Å; P779-M782 PolarHBondContact O-N 3.22Å; P779-K783 WeakPolarHBondContact O-CG 3.5Å; P779-K783 PolarHBondContact O-N 3.48Å
780	Q	91.7	Very high	87.7	Confident	122 Å²	122	42.3 Å²	42.3	57%	0.57	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-51.2	-50.8	-178	-179.7	64.1	28.6	0	0	112.9	M782 K783	Q780-M782 PolarHBondContact O-N 3.21Å; Q780-K783 WeakPolarHBondContact O-CG 3.37Å; Q780-K783 PolarHBondContact O-N 3.06Å
781	N	94.7	Very high	89.8	Confident	58 Å²	58	35.8 Å²	35.8	31%	0.31	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-77	-5.4	-178.6	-68.5	8.4	0	0	0	113.7	R716 V718 L720 P779	R716-N781 PolarHBondContact O-ND2 3.02Å; V718-N781 HydrophobicContact CG1-CB 3.82Å; V718-N781 WeakPolarHBondContact O-CB 3.23Å; V718-N781 PolarHBondContact O-ND2 2.83Å; L720-N781 WeakPolarHBondContact CB-O 3.43Å; P779-N781 PolarHBondContact O-N 3.39Å
782	M	95.2	Very high	91.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-122.1	19.7	177.6	-59.8	-173.9	82.2	0	0	112.2	I243 F715 V718 L720 T754 P779 Q780 V784 F785	I243-M782 HydrophobicContact CD1-CE 4.13Å; I243-M782 HydrophobicContact CD1-SD 3.66Å; I243-M782 HydrophobicContact CG1-CE 4.39Å; F715-M782 HydrophobicContact CD1-SD 4.02Å; F715-M782 HydrophobicContact CE1-SD 4.11Å; V718-M782 HydrophobicContact CG1-CG 3.5Å; V718-M782 HydrophobicContact CG1-SD 3.88Å; V718-M782 HydrophobicContact CG2-CG 4.46Å; V718-M782 HydrophobicContact CG2-SD 4.25Å; L720-M782 HydrophobicContact CD1-CE 4.2Å; T754-M782 HydrophobicContact CG2-CE 4.03Å; T754-M782 HydrophobicContact CG2-SD 4.32Å; P779-M782 HydrophobicContact CB-CB 4.13Å; P779-M782 HydrophobicContact CB-CG 4.49Å; P779-M782 HydrophobicContact CG-CB 3.87Å; P779-M782 HydrophobicContact CG-CG 4.35Å; P779-M782 HydrophobicContact CG-SD 4.28Å; P779-M782 CarbonylContact O-C 3.28Å; P779-M782 VanDerWaalsContact O-C 3.28Å; P779-M782 WeakPolarHBondContact O-CA 3.19Å; P779-M782 PolarHBondContact O-N 3.22Å; Q780-M782 PolarHBondContact O-N 3.21Å; M782-V784 PolarHBondContact O-N 3.24Å; M782-V784 VanDerWaalsContact O-N 3.14Å; M782-F785 HydrophobicContact CB-CB 3.97Å; M782-F785 HydrophobicContact CE-CB 4.22Å; M782-F785 HydrophobicContact CE-CD1 3.43Å; M782-F785 VanDerWaalsContact CE-CD1 3.43Å; M782-F785 HydrophobicContact CE-CD2 4.18Å; M782-F785 HydrophobicContact CE-CE1 3.66Å; M782-F785 HydrophobicContact CE-CE2 4.34Å; M782-F785 HydrophobicContact CE-CG 3.71Å; M782-F785 HydrophobicContact CE-CZ 4.11Å; M782-F785 WeakPolarHBondContact O-CB 3.45Å; M782-F785 PolarHBondContact O-N 3.25Å
783	K	93.6	Very high	92.7	Very high	77 Å²	77	32 Å²	32	34%	0.335	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.3	-177.7	-83.8	179.7	166.8	-176.2	0	113.7	P178 L778 P779 Q780	P178-K783 HydrophobicContact CB-CB 4.32Å; P178-K783 WeakPolarHBondContact CB-O 3.47Å; L778-K783 HydrophobicContact CB-CG 4.42Å; L778-K783 WeakPolarHBondContact CD1-O 3.49Å; P779-K783 WeakPolarHBondContact O-CG 3.5Å; P779-K783 PolarHBondContact O-N 3.48Å; Q780-K783 WeakPolarHBondContact O-CG 3.37Å; Q780-K783 PolarHBondContact O-N 3.06Å
784	V	96.4	Very high	93.6	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.03	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	10.7	178.4	-61.6	0	0	0	0	113	P178 P180 V183 L720 M782 L787 Y788	P178-V784 HydrophobicContact CB-CG1 4.23Å; P180-V784 HydrophobicContact CG-CB 4.33Å; P180-V784 HydrophobicContact CG-CG1 4.03Å; V183-V784 HydrophobicContact CG2-CG1 4.15Å; L720-V784 HydrophobicContact CD2-CG2 3.55Å; M782-V784 PolarHBondContact O-N 3.24Å; M782-V784 VanDerWaalsContact O-N 3.14Å; V784-L787 WeakPolarHBondContact O-CB 3.29Å; V784-L787 PolarHBondContact O-N 2.92Å; V784-Y788 HydrophobicContact CB-CE1 4.44Å; V784-Y788 HydrophobicContact CG2-CD1 4.45Å; V784-Y788 HydrophobicContact CG2-CD2 4.16Å; V784-Y788 HydrophobicContact CG2-CE1 4.1Å; V784-Y788 HydrophobicContact CG2-CE2 3.77Å; V784-Y788 HydrophobicContact CG2-CG 4.49Å; V784-Y788 PolarHBondContact O-N 3.08Å
785	F	97.9	Very high	94.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-47.4	-179	178.4	-139.7	0	0	0	113.7	L720 H723 M724 A751 T754 L755 M782 L787 Y788 I789	L720-F785 HydrophobicContact CD1-CB 3.76Å; L720-F785 HydrophobicContact CD1-CD2 3.53Å; L720-F785 HydrophobicContact CD1-CE2 4.34Å; L720-F785 HydrophobicContact CD1-CG 3.91Å; L720-F785 HydrophobicContact CD2-CB 4.24Å; H723-F785 AromaticContact CD2-CE2 3.67Å; H723-F785 AromaticContact CD2-CZ 3.99Å; H723-F785 AromaticContact NE2-CE2 3.67Å; H723-F785 AromaticContact NE2-CZ 3.59Å; M724-F785 HydrophobicContact SD-CD2 3.82Å; M724-F785 HydrophobicContact SD-CE2 3.75Å; A751-F785 HydrophobicContact CB-CE1 4.07Å; A751-F785 HydrophobicContact CB-CZ 4.24Å; T754-F785 HydrophobicContact CG2-CE1 4.18Å; L755-F785 HydrophobicContact CD2-CD1 4.39Å; L755-F785 HydrophobicContact CG-CD1 4.49Å; M782-F785 HydrophobicContact CB-CB 3.97Å; M782-F785 HydrophobicContact CE-CB 4.22Å; M782-F785 HydrophobicContact CE-CD1 3.43Å; M782-F785 VanDerWaalsContact CE-CD1 3.43Å; M782-F785 HydrophobicContact CE-CD2 4.18Å; M782-F785 HydrophobicContact CE-CE1 3.66Å; M782-F785 HydrophobicContact CE-CE2 4.34Å; M782-F785 HydrophobicContact CE-CG 3.71Å; M782-F785 HydrophobicContact CE-CZ 4.11Å; M782-F785 WeakPolarHBondContact O-CB 3.45Å; M782-F785 PolarHBondContact O-N 3.25Å; F785-L787 VanDerWaalsContact C-N 3.25Å; F785-L787 PolarHBondContact O-N 3.02Å; F785-Y788 PolarHBondContact O-N 3.43Å; F785-I789 HydrophobicContact CD2-CD1 4.29Å; F785-I789 HydrophobicContact CD2-CG1 3.79Å; F785-I789 HydrophobicContact CE2-CD1 3.58Å; F785-I789 HydrophobicContact CE2-CG1 3.54Å; F785-I789 HydrophobicContact CZ-CD1 4.07Å; F785-I789 HydrophobicContact CZ-CG1 4.11Å; F785-I789 WeakPolarHBondContact O-CG1 3.41Å; F785-I789 PolarHBondContact O-N 3.36Å
786	P	97.3	Very high	94.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.2	-40.3	174.5	-24.1	33.5	0	0	0	112.7	L755 L778 I789 Q790 Y967 L968	L755-P786 HydrophobicContact CD1-CG 3.93Å; L778-P786 HydrophobicContact CD2-CG 4.24Å; P786-I789 PolarHBondContact O-N 3.28Å; P786-Q790 PolarHBondContact O-N 2.89Å; P786-Q790 VanDerWaalsContact O-N 3.1Å; P786-Y967 HydrophobicContact CB-CD1 4.47Å; P786-Y967 HydrophobicContact CB-CE1 4.46Å; P786-Y967 WeakPolarHBondContact O-CD1 3.43Å; P786-Y967 WeakPolarHBondContact O-CE1 3.44Å; P786-L968 HydrophobicContact CB-CD2 3.72Å; P786-L968 HydrophobicContact CG-CD2 3.95Å
787	L	96.9	Very high	94.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63	-50.3	177.9	178.1	53.9	0	0	0	110.8	P180 V784 F785 I789 Q790 C791 Y829 E954 Y964	P180-L787 VanDerWaalsContact CD-CD2 3.45Å; P180-L787 HydrophobicContact CG-CD2 3.3Å; P180-L787 HydrophobicContact CG-CG 4.39Å; V784-L787 WeakPolarHBondContact O-CB 3.29Å; V784-L787 PolarHBondContact O-N 2.92Å; F785-L787 VanDerWaalsContact C-N 3.25Å; F785-L787 PolarHBondContact O-N 3.02Å; L787-I789 VanDerWaalsContact C-N 3.3Å; L787-I789 PolarHBondContact O-N 3.11Å; L787-Q790 WeakPolarHBondContact O-CB 3.45Å; L787-Q790 PolarHBondContact O-N 2.83Å; L787-Q790 VanDerWaalsContact O-N 3.1Å; L787-C791 WeakPolarHBondContact CD1-SG 3.44Å; L787-C791 PolarHBondContact O-N 3.12Å; L787-C791 PolarHBondContact O-SG 2.75Å; L787-Y829 HydrophobicContact CD2-CD2 4.39Å; L787-Y829 HydrophobicContact CD2-CE2 4Å; L787-Y829 HydrophobicContact CG-CD2 4.5Å; L787-Y829 HydrophobicContact CG-CE2 4.46Å; L787-E954 HydrophobicContact CD1-CG 4.12Å; L787-Y964 HydrophobicContact CB-CD2 4.01Å; L787-Y964 HydrophobicContact CB-CE1 4.47Å; L787-Y964 HydrophobicContact CB-CE2 3.56Å; L787-Y964 HydrophobicContact CD1-CD1 4.09Å; L787-Y964 HydrophobicContact CD1-CD2 3.77Å; L787-Y964 HydrophobicContact CD1-CE1 4.43Å; L787-Y964 HydrophobicContact CD1-CE2 4.17Å; L787-Y964 HydrophobicContact CD1-CG 3.74Å; L787-Y964 HydrophobicContact CD2-CD1 4.33Å; L787-Y964 HydrophobicContact CD2-CE1 3.99Å; L787-Y964 HydrophobicContact CG-CD2 4.38Å; L787-Y964 HydrophobicContact CG-CE2 4.29Å
788	Y	98.1	Very high	94.9	Very high	9 Å²	9	18.4 Å²	18.4	4%	0.035	9%	0.088	C	C	.	.	H	α-helix	trans	-62.4	-35.7	-179.5	-73.7	-2.8	0	0	0	113.2	P180 L720 M724 V784 F785 C791 L792 N825 I828 Y829	P180-Y788 HydrophobicContact CB-CE1 4.13Å; P180-Y788 HydrophobicContact CG-CE1 3.98Å; L720-Y788 HydrophobicContact CD2-CD2 3.68Å; L720-Y788 HydrophobicContact CD2-CE2 3.91Å; L720-Y788 HydrophobicContact CG-CD2 4.02Å; L720-Y788 HydrophobicContact CG-CE2 4.36Å; M724-Y788 HydrophobicContact CG-CD2 3.98Å; V784-Y788 HydrophobicContact CB-CE1 4.44Å; V784-Y788 HydrophobicContact CG2-CD1 4.45Å; V784-Y788 HydrophobicContact CG2-CD2 4.16Å; V784-Y788 HydrophobicContact CG2-CE1 4.1Å; V784-Y788 HydrophobicContact CG2-CE2 3.77Å; V784-Y788 HydrophobicContact CG2-CG 4.49Å; V784-Y788 PolarHBondContact O-N 3.08Å; F785-Y788 PolarHBondContact O-N 3.43Å; Y788-C791 PolarHBondContact O-N 2.94Å; Y788-L792 WeakPolarHBondContact O-CB 3.35Å; Y788-L792 PolarHBondContact O-N 2.95Å; Y788-N825 PolarHBondContact OH-ND2 2.89Å; Y788-I828 HydrophobicContact CD1-CG2 4.36Å; Y788-I828 HydrophobicContact CG-CG2 4.3Å; Y788-I828 WeakPolarHBondContact O-CG2 3.4Å; Y788-Y829 HydrophobicContact CE1-CD2 4.4Å; Y788-Y829 HydrophobicContact CE1-CG 4.23Å
789	I	97.7	Very high	94.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.4	-48.9	172.3	-67.2	-75.6	0	0	0	110.6	M724 L727 L747 A751 F785 P786 L787 C791 L792 M793 Y967	M724-I789 HydrophobicContact CE-CD1 4.14Å; M724-I789 HydrophobicContact SD-CD1 4.07Å; M724-I789 HydrophobicContact SD-CG1 4.36Å; L727-I789 HydrophobicContact CD2-CD1 3.19Å; L747-I789 HydrophobicContact CB-CG2 4.21Å; L747-I789 HydrophobicContact CD2-CD1 4.32Å; A751-I789 HydrophobicContact CB-CG1 4.06Å; F785-I789 HydrophobicContact CD2-CD1 4.29Å; F785-I789 HydrophobicContact CD2-CG1 3.79Å; F785-I789 HydrophobicContact CE2-CD1 3.58Å; F785-I789 HydrophobicContact CE2-CG1 3.54Å; F785-I789 HydrophobicContact CZ-CD1 4.07Å; F785-I789 HydrophobicContact CZ-CG1 4.11Å; F785-I789 WeakPolarHBondContact O-CG1 3.41Å; F785-I789 PolarHBondContact O-N 3.36Å; P786-I789 PolarHBondContact O-N 3.28Å; L787-I789 VanDerWaalsContact C-N 3.3Å; L787-I789 PolarHBondContact O-N 3.11Å; I789-C791 PolarHBondContact O-N 3.47Å; I789-L792 WeakPolarHBondContact O-CB 3.4Å; I789-L792 PolarHBondContact O-N 3.38Å; I789-M793 HydrophobicContact CG2-CE 3.94Å; I789-M793 HydrophobicContact CG2-SD 4.47Å; I789-M793 WeakPolarHBondContact O-CG 3.18Å; I789-M793 PolarHBondContact O-N 2.91Å; I789-Y967 HydrophobicContact CB-CE1 4.34Å; I789-Y967 HydrophobicContact CG2-CE1 4.16Å; I789-Y967 WeakPolarHBondContact CG2-OH 3.34Å
790	Q	95.7	Very high	93.8	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.009	10%	0.104	C	C	.	.	H	α-helix	trans	-60	-46	176.9	-177.6	-170.4	40	0	0	112.6	P786 L787 L792 M793 K794 I962 S963 Y967	P786-Q790 PolarHBondContact O-N 2.89Å; P786-Q790 VanDerWaalsContact O-N 3.1Å; L787-Q790 WeakPolarHBondContact O-CB 3.45Å; L787-Q790 PolarHBondContact O-N 2.83Å; L787-Q790 VanDerWaalsContact O-N 3.1Å; Q790-L792 VanDerWaalsContact C-N 3.31Å; Q790-L792 PolarHBondContact O-N 3.25Å; Q790-M793 HydrophobicContact CB-CE 4.38Å; Q790-M793 PolarHBondContact O-N 3Å; Q790-K794 HydrophobicContact CG-CD 4.4Å; Q790-K794 PolarHBondContact O-N 2.89Å; Q790-I962 PolarHBondContact NE2-O 3.21Å; Q790-S963 PolarHBondContact NE2-O 3.41Å; Q790-Y967 HydrophobicContact CB-CD1 3.66Å; Q790-Y967 HydrophobicContact CB-CE1 4.02Å; Q790-Y967 HydrophobicContact CB-CG 4.15Å; Q790-Y967 HydrophobicContact CG-CD1 4.35Å; Q790-Y967 HydrophobicContact CG-CG 4.36Å
791	C	96.4	Very high	92.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.3	-42.8	179.8	-58.4	0	0	0	0	110.5	L787 Y788 I789 M793 K794 T795 I828 V953	L787-C791 WeakPolarHBondContact CD1-SG 3.44Å; L787-C791 PolarHBondContact O-N 3.12Å; L787-C791 PolarHBondContact O-SG 2.75Å; Y788-C791 PolarHBondContact O-N 2.94Å; I789-C791 PolarHBondContact O-N 3.47Å; C791-M793 VanDerWaalsContact C-N 3.32Å; C791-M793 PolarHBondContact O-N 2.89Å; C791-K794 WeakPolarHBondContact O-CB 3.23Å; C791-K794 PolarHBondContact O-N 3.13Å; C791-T795 WeakPolarHBondContact O-CG2 3.45Å; C791-T795 PolarHBondContact O-N 3.39Å; C791-I828 HydrophobicContact CB-CG2 3.9Å; C791-I828 WeakPolarHBondContact CB-O 3.19Å; C791-V953 HydrophobicContact CB-CB 4.23Å; C791-V953 HydrophobicContact CB-CG2 4.33Å; C791-V953 VanDerWaalsContact SG-CG2 3.56Å
792	L	96.3	Very high	91.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-55.5	-46.5	174.4	-179.8	64.7	0	0	0	111.6	M724 L747 Y788 I789 Q790 K794 T795 F798 I828	M724-L792 HydrophobicContact CE-CB 4.22Å; M724-L792 HydrophobicContact CE-CD2 3.98Å; L747-L792 HydrophobicContact CD1-CD2 4.41Å; L747-L792 HydrophobicContact CD2-CD2 4.05Å; Y788-L792 WeakPolarHBondContact O-CB 3.35Å; Y788-L792 PolarHBondContact O-N 2.95Å; I789-L792 WeakPolarHBondContact O-CB 3.4Å; I789-L792 PolarHBondContact O-N 3.38Å; Q790-L792 VanDerWaalsContact C-N 3.31Å; Q790-L792 PolarHBondContact O-N 3.25Å; L792-K794 PolarHBondContact O-N 2.89Å; L792-T795 WeakPolarHBondContact O-CB 3.49Å; L792-T795 PolarHBondContact O-N 3.07Å; L792-T795 VanDerWaalsContact O-N 3.13Å; L792-T795 PolarHBondContact O-OG1 3.39Å; L792-F798 HydrophobicContact CD1-CD2 3.88Å; L792-F798 HydrophobicContact CD1-CE2 3.4Å; L792-F798 HydrophobicContact CD1-CZ 3.91Å; L792-F798 HydrophobicContact CD2-CZ 4.26Å; L792-F798 HydrophobicContact CG-CD2 4.26Å; L792-F798 HydrophobicContact CG-CE2 3.96Å; L792-F798 HydrophobicContact CG-CZ 4.1Å; L792-I828 HydrophobicContact CD1-CD1 4.4Å; L792-I828 HydrophobicContact CD1-CG1 4.17Å
793	M	94.7	Very high	91.1	Very high	23 Å²	23	24 Å²	24	11%	0.113	15%	0.149	C	C	.	.	H	α-helix	trans	-62	-24.1	177.3	-67	-172.5	-67.4	0	0	113.4	M744 L747 I789 Q790 C791 S799 Y967	M744-M793 HydrophobicContact CB-SD 4.12Å; M744-M793 HydrophobicContact SD-CB 3.58Å; M744-M793 VanDerWaalsContact SD-CB 3.58Å; M744-M793 HydrophobicContact SD-CG 3.45Å; M744-M793 WeakPolarHBondContact SD-CG 3.5Å; M744-M793 HydrophobicContact SD-SD 3.95Å; L747-M793 HydrophobicContact CB-CG 4.46Å; L747-M793 HydrophobicContact CB-SD 4.25Å; L747-M793 HydrophobicContact CD1-CG 3.64Å; L747-M793 HydrophobicContact CD1-SD 4.41Å; I789-M793 HydrophobicContact CG2-CE 3.94Å; I789-M793 HydrophobicContact CG2-SD 4.47Å; I789-M793 WeakPolarHBondContact O-CG 3.18Å; I789-M793 PolarHBondContact O-N 2.91Å; Q790-M793 HydrophobicContact CB-CE 4.38Å; Q790-M793 PolarHBondContact O-N 3Å; C791-M793 VanDerWaalsContact C-N 3.32Å; C791-M793 PolarHBondContact O-N 2.89Å; M793-S799 WeakPolarHBondContact O-CB 3.27Å; M793-Y967 HydrophobicContact CE-CD2 4.46Å; M793-Y967 HydrophobicContact CE-CE1 4.23Å; M793-Y967 HydrophobicContact CE-CE2 3.7Å; M793-Y967 WeakPolarHBondContact CE-OH 3.4Å
794	K	93.4	Very high	90.7	Very high	34 Å²	34	21.1 Å²	21.1	15%	0.148	14%	0.137	C	C	.	.	H	α-helix	trans	-88.7	-13.4	177.8	-70.5	174.8	178.5	176.4	0	113.8	Q790 C791 L792 V953 D955 I962	Q790-K794 HydrophobicContact CG-CD 4.4Å; Q790-K794 PolarHBondContact O-N 2.89Å; C791-K794 WeakPolarHBondContact O-CB 3.23Å; C791-K794 PolarHBondContact O-N 3.13Å; L792-K794 PolarHBondContact O-N 2.89Å; K794-V953 PolarHBondContact NZ-O 3.3Å; K794-D955 PolarHBondContact NZ-O 3.35Å; K794-I962 VanDerWaalsContact CE-O 3.24Å; K794-I962 WeakPolarHBondContact CE-O 3.47Å; K794-I962 PolarHBondContact NZ-O 2.84Å
795	T	93.3	Very high	90.5	Very high	14 Å²	14	22.9 Å²	22.9	9%	0.086	15%	0.148	C	C	.	.	S	Bend	trans	-64.7	151	179.1	64.4	0	0	0	0	111.5	C791 L792 A797 F798 S799 Y827	C791-T795 WeakPolarHBondContact O-CG2 3.45Å; C791-T795 PolarHBondContact O-N 3.39Å; L792-T795 WeakPolarHBondContact O-CB 3.49Å; L792-T795 PolarHBondContact O-N 3.07Å; L792-T795 VanDerWaalsContact O-N 3.13Å; L792-T795 PolarHBondContact O-OG1 3.39Å; T795-A797 PolarHBondContact O-N 3.25Å; T795-F798 PolarHBondContact O-N 3.42Å; T795-F798 VanDerWaalsContact OG1-CD2 3.3Å; T795-F798 WeakPolarHBondContact OG1-CD2 3.38Å; T795-S799 PolarHBondContact O-N 2.98Å; T795-Y827 HydrophobicContact CG2-CD1 4.15Å; T795-Y827 HydrophobicContact CG2-CE1 3.66Å
796	E	91	Very high	90.3	Very high	16 Å²	16	23 Å²	23	8%	0.075	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.9	-174.3	-59.2	-173	136.8	0	0	113.1	F798 I804 Q812 W947	E796-F798 VanDerWaalsContact C-N 3.32Å; E796-I804 HydrophobicContact CB-CD1 3.71Å; E796-I804 HydrophobicContact CG-CD1 3.46Å; E796-I804 VanDerWaalsContact CG-CD1 3.46Å; E796-I804 WeakPolarHBondContact OE1-CD1 3.33Å; E796-Q812 PolarHBondContact OE2-NE2 2.91Å; E796-W947 PolarHBondContact OE1-NE1 2.65Å
797	A	93.6	Very high	90.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-35.5	168.3	0	0	0	0	0	112	T795 R809 Q812 M813 V816 Y827	T795-A797 PolarHBondContact O-N 3.25Å; A797-R809 PolarHBondContact O-NH2 3.48Å; A797-Q812 HydrophobicContact CB-CB 4.06Å; A797-M813 HydrophobicContact CB-CG 4.13Å; A797-V816 HydrophobicContact CB-CG2 4.05Å; A797-Y827 WeakPolarHBondContact CB-OH 3.31Å; A797-Y827 PolarHBondContact N-OH 3.43Å
798	F	92.8	Very high	90	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-46.2	-174	-76.2	-95.8	0	0	0	112.6	S728 M732 L735 H740 V743 M744 L747 L792 T795 E796 R809	S728-F798 WeakPolarHBondContact O-CZ 3.42Å; M732-F798 HydrophobicContact CB-CE1 4.48Å; M732-F798 HydrophobicContact CB-CE2 4.17Å; M732-F798 HydrophobicContact CB-CZ 3.79Å; L735-F798 HydrophobicContact CD1-CD1 3.93Å; L735-F798 HydrophobicContact CD1-CE1 4.28Å; L735-F798 HydrophobicContact CD1-CG 4.34Å; H740-F798 PolarHBondContact CD2-O 3.44Å; H740-F798 PolarHBondContact NE2-O 2.95Å; V743-F798 HydrophobicContact CG1-CD1 4.47Å; V743-F798 HydrophobicContact CG1-CE1 4.33Å; M744-F798 HydrophobicContact CE-CB 4.05Å; M744-F798 HydrophobicContact CE-CD1 3.68Å; M744-F798 HydrophobicContact CE-CG 4.35Å; L747-F798 HydrophobicContact CD1-CD1 4.38Å; L747-F798 HydrophobicContact CD1-CE1 4.3Å; L792-F798 HydrophobicContact CD1-CD2 3.88Å; L792-F798 HydrophobicContact CD1-CE2 3.4Å; L792-F798 HydrophobicContact CD1-CZ 3.91Å; L792-F798 HydrophobicContact CD2-CZ 4.26Å; L792-F798 HydrophobicContact CG-CD2 4.26Å; L792-F798 HydrophobicContact CG-CE2 3.96Å; L792-F798 HydrophobicContact CG-CZ 4.1Å; T795-F798 PolarHBondContact O-N 3.42Å; T795-F798 VanDerWaalsContact OG1-CD2 3.3Å; T795-F798 WeakPolarHBondContact OG1-CD2 3.38Å; E796-F798 VanDerWaalsContact C-N 3.32Å; F798-R809 PolarHBondContact O-NH2 2.99Å
799	S	87	Confident	89.8	Confident	35 Å²	35	24.2 Å²	24.2	25%	0.245	16%	0.156	C	C	.	.			trans	-97.1	121.5	-173.2	-168.3	0	0	0	0	112.2	M793 T795 A801	M793-S799 WeakPolarHBondContact O-CB 3.27Å; T795-S799 PolarHBondContact O-N 2.98Å; S799-A801 PolarHBondContact O-N 3.13Å; S799-A801 VanDerWaalsContact O-N 3.12Å
800	P	76.9	Confident	89.8	Confident	34 Å²	34	24.7 Å²	24.7	22%	0.221	16%	0.159	C	C	.	.			trans	-68	107.2	165.5	22.4	-21.5	0	0	0	108.3	I540 R809	I540-P800 HydrophobicContact CG2-CB 3.67Å; P800-R809 VanDerWaalsContact CB-NH1 3.29Å
801	A	73	Confident	89.8	Confident	27 Å²	27	25.5 Å²	25.5	22%	0.223	16%	0.162	C	C	.	.			trans	-109.8	153.1	176	0	0	0	0	0	111.5	S799 G803 I804	S799-A801 PolarHBondContact O-N 3.13Å; S799-A801 VanDerWaalsContact O-N 3.12Å; A801-G803 PolarHBondContact O-N 3.42Å; A801-I804 HydrophobicContact CB-CD1 3.55Å; A801-I804 HydrophobicContact CB-CG1 4.08Å; A801-I804 WeakPolarHBondContact O-CB 3.4Å; A801-I804 PolarHBondContact O-N 3.45Å
802	D	73.1	Confident	89.8	Confident	148 Å²	148	25.6 Å²	25.6	79%	0.791	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	133.1	179.4	-68.8	-29	0	0	0	111.2	I804 R950	D802-I804 VanDerWaalsContact C-N 3.27Å; D802-I804 PolarHBondContact O-N 3.41Å; D802-R950 PolarHBondContact O-NH1 3.46Å; D802-R950 VanDerWaalsContact O-NH1 3.08Å; D802-R950 PolarHBondContact O-NH2 2.83Å
803	G	77.9	Confident	89.9	Confident	80 Å²	80	26.1 Å²	26.1	83%	0.825	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.4	-7.9	-179.9	0	0	0	0	0	115.6	A801	A801-G803 PolarHBondContact O-N 3.42Å
804	I	84.9	Confident	90	Very high	16 Å²	16	25.6 Å²	25.6	8%	0.082	16%	0.162	C	C	.	.			trans	-78.3	126.4	172.4	-58.7	-176.6	0	0	0	108.8	E796 A801 D802 D808 R809	E796-I804 HydrophobicContact CB-CD1 3.71Å; E796-I804 HydrophobicContact CG-CD1 3.46Å; E796-I804 VanDerWaalsContact CG-CD1 3.46Å; E796-I804 WeakPolarHBondContact OE1-CD1 3.33Å; A801-I804 HydrophobicContact CB-CD1 3.55Å; A801-I804 HydrophobicContact CB-CG1 4.08Å; A801-I804 WeakPolarHBondContact O-CB 3.4Å; A801-I804 PolarHBondContact O-N 3.45Å; D802-I804 VanDerWaalsContact C-N 3.27Å; D802-I804 PolarHBondContact O-N 3.41Å; I804-D808 HydrophobicContact CG2-CB 3.82Å; I804-R809 HydrophobicContact CG2-CG 3.69Å
805	T	91.9	Very high	90.2	Very high	43 Å²	43	24.1 Å²	24.1	26%	0.264	16%	0.156	S	C	.	.			trans	-81.1	158.8	175.3	69.5	0	0	0	0	111	D807 D808 R809	T805-D807 PolarHBondContact O-N 3.22Å; T805-D808 WeakPolarHBondContact CB-OD2 3.36Å; T805-D808 PolarHBondContact N-OD2 2.97Å; T805-D808 WeakPolarHBondContact O-CB 3.4Å; T805-D808 PolarHBondContact O-N 3.13Å; T805-D808 VanDerWaalsContact O-N 3.12Å; T805-D808 PolarHBondContact OG1-N 2.71Å; T805-D808 VanDerWaalsContact OG1-N 3.14Å; T805-D808 PolarHBondContact OG1-OD2 3.12Å; T805-R809 PolarHBondContact O-N 3.42Å; T805-R809 VanDerWaalsContact O-N 3.08Å
806	I	94.1	Very high	90.4	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.015	15%	0.152	C	C	.	.	H	α-helix	trans	-61.5	-33.4	174.5	-168	71.7	0	0	0	112.1	I540 L548 L549 F579 D808 R809 C810	I540-I806 HydrophobicContact CD1-CB 4.43Å; L548-I806 HydrophobicContact CB-CD1 3.75Å; L548-I806 HydrophobicContact CB-CG1 3.74Å; L548-I806 HydrophobicContact CD1-CD1 4.34Å; L548-I806 HydrophobicContact CD1-CG1 4.44Å; L549-I806 HydrophobicContact CD2-CD1 3.58Å; L549-I806 HydrophobicContact CD2-CG1 4.5Å; L549-I806 HydrophobicContact CG-CD1 4.29Å; F579-I806 HydrophobicContact CD2-CG2 3.96Å; F579-I806 HydrophobicContact CE2-CG2 3.54Å; I806-D808 VanDerWaalsContact C-N 3.35Å; I806-D808 PolarHBondContact O-N 3.31Å; I806-R809 WeakPolarHBondContact O-CB 3.46Å; I806-R809 PolarHBondContact O-N 2.84Å; I806-C810 PolarHBondContact O-N 3.19Å; I806-C810 PolarHBondContact O-SG 3.34Å
807	D	95.7	Very high	90.7	Very high	7 Å²	7	23.5 Å²	23.5	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-64.3	-39.9	174.8	-79	-19.5	0	0	0	111.3	F579 V580 D581 I582 T805 R809 W811	F579-D807 WeakPolarHBondContact CA-OD2 3.45Å; F579-D807 WeakPolarHBondContact CD2-OD2 3.41Å; F579-D807 WeakPolarHBondContact CE2-OD1 3.28Å; V580-D807 PolarHBondContact N-OD2 2.66Å; D581-D807 WeakPolarHBondContact CA-OD1 3.22Å; D581-D807 PolarHBondContact N-OD1 2.77Å; I582-D807 HydrophobicContact CB-CB 4.37Å; I582-D807 HydrophobicContact CD1-CB 3.86Å; I582-D807 HydrophobicContact CG1-CB 3.97Å; I582-D807 PolarHBondContact N-OD1 3.16Å; T805-D807 PolarHBondContact O-N 3.22Å; D807-R809 VanDerWaalsContact C-N 3.35Å; D807-W811 WeakPolarHBondContact O-CB 3.41Å; D807-W811 PolarHBondContact O-N 2.72Å
808	D	93.6	Very high	90.9	Very high	25 Å²	25	23.7 Å²	23.7	13%	0.134	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-42.3	174.1	-63	-45	0	0	0	111.4	K598 I804 T805 I806 W811 Q812	K598-D808 IonicContact NZ-OD1 3.83Å; K598-D808 PolarHBondContact NZ-OD1 2.89Å; I804-D808 HydrophobicContact CG2-CB 3.82Å; T805-D808 WeakPolarHBondContact CB-OD2 3.36Å; T805-D808 PolarHBondContact N-OD2 2.97Å; T805-D808 WeakPolarHBondContact O-CB 3.4Å; T805-D808 PolarHBondContact O-N 3.13Å; T805-D808 VanDerWaalsContact O-N 3.12Å; T805-D808 PolarHBondContact OG1-N 2.71Å; T805-D808 VanDerWaalsContact OG1-N 3.14Å; T805-D808 PolarHBondContact OG1-OD2 3.12Å; I806-D808 VanDerWaalsContact C-N 3.35Å; I806-D808 PolarHBondContact O-N 3.31Å; D808-W811 PolarHBondContact O-N 3.5Å; D808-Q812 WeakPolarHBondContact O-CG 3.33Å; D808-Q812 PolarHBondContact O-N 2.99Å
809	R	93.5	Very high	91.1	Very high	1 Å²	1	24 Å²	24	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-51.9	175.8	-70.6	-159.8	66.6	164.6	4.2	111.7	E545 A797 F798 P800 I804 T805 I806 D807 W811 Q812 M813	E545-R809 IonicContact OE1-CZ 3.43Å; E545-R809 IonicContact OE1-NE 3.85Å; E545-R809 IonicContact OE1-NH1 2.96Å; E545-R809 PolarHBondContact OE1-NH1 3.47Å; E545-R809 IonicContact OE2-CZ 3.21Å; E545-R809 IonicContact OE2-NH1 3.73Å; E545-R809 PolarHBondContact OE2-NH1 2.92Å; A797-R809 PolarHBondContact O-NH2 3.48Å; F798-R809 PolarHBondContact O-NH2 2.99Å; P800-R809 VanDerWaalsContact CB-NH1 3.29Å; I804-R809 HydrophobicContact CG2-CG 3.69Å; T805-R809 PolarHBondContact O-N 3.42Å; T805-R809 VanDerWaalsContact O-N 3.08Å; I806-R809 WeakPolarHBondContact O-CB 3.46Å; I806-R809 PolarHBondContact O-N 2.84Å; D807-R809 VanDerWaalsContact C-N 3.35Å; R809-W811 VanDerWaalsContact C-N 3.31Å; R809-W811 PolarHBondContact O-N 3.24Å; R809-Q812 PolarHBondContact O-N 3.25Å; R809-M813 WeakPolarHBondContact O-CG 3.42Å; R809-M813 PolarHBondContact O-N 3.27Å
810	C	96.5	Very high	91.6	Very high	11 Å²	11	23.9 Å²	23.9	7%	0.074	15%	0.152	C	C	.	.	H	α-helix	trans	-63.2	-39.4	-178.6	-63.5	0	0	0	0	111.6	I582 I806 M813 F814	I582-C810 HydrophobicContact CB-CB 4.07Å; I582-C810 HydrophobicContact CG2-CB 3.78Å; I806-C810 PolarHBondContact O-N 3.19Å; I806-C810 PolarHBondContact O-SG 3.34Å; C810-M813 PolarHBondContact O-N 3.08Å; C810-F814 PolarHBondContact O-N 3.48Å
811	W	97.1	Very high	92.6	Very high	18 Å²	18	22.5 Å²	22.5	7%	0.068	14%	0.143	C	C	.	.	H	α-helix	trans	-61.5	-44.3	175	179	60.6	0	0	0	111.8	I582 L596 K598 D807 D808 R809 F814 L815 I872 Y873	I582-W811 HydrophobicContact CD1-CB 4.05Å; I582-W811 HydrophobicContact CG2-CB 4.36Å; L596-W811 PolarHBondContact O-NE1 2.99Å; L596-W811 VanDerWaalsContact O-NE1 3.12Å; K598-W811 HydrophobicContact CB-CD2 4.31Å; K598-W811 HydrophobicContact CB-CG 4.39Å; K598-W811 HydrophobicContact CD-CB 4.45Å; K598-W811 HydrophobicContact CD-CD2 4.4Å; K598-W811 HydrophobicContact CD-CG 4.31Å; D807-W811 WeakPolarHBondContact O-CB 3.41Å; D807-W811 PolarHBondContact O-N 2.72Å; D808-W811 PolarHBondContact O-N 3.5Å; R809-W811 VanDerWaalsContact C-N 3.31Å; R809-W811 PolarHBondContact O-N 3.24Å; W811-F814 WeakPolarHBondContact O-CB 3.46Å; W811-F814 PolarHBondContact O-N 2.91Å; W811-L815 HydrophobicContact CD2-CD1 4.13Å; W811-L815 HydrophobicContact CE3-CD1 4.4Å; W811-L815 HydrophobicContact CH2-CD1 4.05Å; W811-L815 HydrophobicContact CZ2-CD1 3.73Å; W811-L815 HydrophobicContact CZ3-CD1 4.36Å; W811-L815 WeakPolarHBondContact O-CG 3.41Å; W811-L815 PolarHBondContact O-N 2.99Å; W811-I872 HydrophobicContact CH2-CG2 3.51Å; W811-I872 HydrophobicContact CZ2-CG2 4.47Å; W811-I872 HydrophobicContact CZ3-CG2 3.93Å; W811-Y873 HydrophobicContact CZ3-CE1 4.48Å
812	Q	95.7	Very high	93.7	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.009	15%	0.151	C	C	.	.	H	α-helix	trans	-70.5	-35.2	177.3	-71.1	-165	45.1	0	0	113.7	E796 A797 D808 R809 F814 L815 V816 Y827	E796-Q812 PolarHBondContact OE2-NE2 2.91Å; A797-Q812 HydrophobicContact CB-CB 4.06Å; D808-Q812 WeakPolarHBondContact O-CG 3.33Å; D808-Q812 PolarHBondContact O-N 2.99Å; R809-Q812 PolarHBondContact O-N 3.25Å; Q812-F814 VanDerWaalsContact C-N 3.29Å; Q812-F814 PolarHBondContact O-N 3.24Å; Q812-L815 PolarHBondContact O-N 3.1Å; Q812-V816 WeakPolarHBondContact O-CG2 3.5Å; Q812-V816 PolarHBondContact O-N 3.43Å; Q812-Y827 PolarHBondContact OE1-OH 3.08Å
813	M	97.2	Very high	94.8	Very high	12 Å²	12	19.7 Å²	19.7	6%	0.059	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-41.5	171.3	-70.7	176.3	69.1	0	0	111.4	L549 M732 L735 L736 A797 R809 C810 L815 V816 N817	L549-M813 HydrophobicContact CD1-CE 4.46Å; L549-M813 HydrophobicContact CD1-SD 4.25Å; L549-M813 HydrophobicContact CD2-SD 3.85Å; M732-M813 HydrophobicContact CG-CB 4Å; M732-M813 HydrophobicContact CG-CE 3.92Å; M732-M813 HydrophobicContact CG-CG 3.86Å; M732-M813 HydrophobicContact SD-CB 3.92Å; M732-M813 HydrophobicContact SD-CE 3.63Å; M732-M813 HydrophobicContact SD-CG 4.27Å; L735-M813 HydrophobicContact CB-CE 4.3Å; L736-M813 HydrophobicContact CD2-CE 3.72Å; L736-M813 HydrophobicContact CG-CE 4.25Å; A797-M813 HydrophobicContact CB-CG 4.13Å; R809-M813 WeakPolarHBondContact O-CG 3.42Å; R809-M813 PolarHBondContact O-N 3.27Å; C810-M813 PolarHBondContact O-N 3.08Å; M813-L815 PolarHBondContact O-N 3.29Å; M813-V816 PolarHBondContact O-N 3.17Å; M813-N817 PolarHBondContact O-N 3.29Å; M813-N817 VanDerWaalsContact O-N 3.1Å
814	F	98	Very high	95.8	Very high	11 Å²	11	16 Å²	16	5%	0.048	8%	0.08	C	C	.	.	H	α-helix	trans	-59.2	-45.4	173.4	179.7	-82.2	0	0	0	111.9	A586 P589 R590 L596 N645 C810 W811 Q812 N817 Q818	A586-F814 HydrophobicContact CB-CD2 3.84Å; A586-F814 HydrophobicContact CB-CE2 4.36Å; P589-F814 HydrophobicContact CB-CE2 4.15Å; P589-F814 HydrophobicContact CB-CZ 4.03Å; P589-F814 HydrophobicContact CG-CE2 4.08Å; P589-F814 HydrophobicContact CG-CZ 4.35Å; R590-F814 HydrophobicContact CB-CD2 4.18Å; R590-F814 HydrophobicContact CB-CE2 3.81Å; L596-F814 HydrophobicContact CB-CD1 3.73Å; L596-F814 HydrophobicContact CB-CE1 3.48Å; L596-F814 VanDerWaalsContact CB-CE1 3.48Å; L596-F814 HydrophobicContact CB-CE2 4.28Å; L596-F814 HydrophobicContact CB-CG 4.27Å; L596-F814 HydrophobicContact CB-CZ 3.77Å; L596-F814 HydrophobicContact CD2-CB 4.35Å; L596-F814 HydrophobicContact CD2-CD1 4.27Å; L596-F814 HydrophobicContact CD2-CD2 4.31Å; L596-F814 HydrophobicContact CD2-CG 4.06Å; N645-F814 VanDerWaalsContact ND2-CE1 3.27Å; N645-F814 WeakPolarHBondContact ND2-CE1 3.39Å; N645-F814 WeakPolarHBondContact ND2-CZ 3.44Å; C810-F814 PolarHBondContact O-N 3.48Å; W811-F814 WeakPolarHBondContact O-CB 3.46Å; W811-F814 PolarHBondContact O-N 2.91Å; Q812-F814 VanDerWaalsContact C-N 3.29Å; Q812-F814 PolarHBondContact O-N 3.24Å; F814-N817 PolarHBondContact O-N 3.42Å; F814-Q818 PolarHBondContact O-N 3.35Å
815	L	97.2	Very high	96.4	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.016	8%	0.078	C	C	.	.	H	α-helix	trans	-63.8	-48.7	178.2	-65.1	179.2	0	0	0	111.7	W811 Q812 M813 N817 Q818 M819 I872 W930	W811-L815 HydrophobicContact CD2-CD1 4.13Å; W811-L815 HydrophobicContact CE3-CD1 4.4Å; W811-L815 HydrophobicContact CH2-CD1 4.05Å; W811-L815 HydrophobicContact CZ2-CD1 3.73Å; W811-L815 HydrophobicContact CZ3-CD1 4.36Å; W811-L815 WeakPolarHBondContact O-CG 3.41Å; W811-L815 PolarHBondContact O-N 2.99Å; Q812-L815 PolarHBondContact O-N 3.1Å; M813-L815 PolarHBondContact O-N 3.29Å; L815-N817 PolarHBondContact O-N 2.94Å; L815-Q818 WeakPolarHBondContact O-CA 3.44Å; L815-Q818 WeakPolarHBondContact O-CB 3.31Å; L815-Q818 PolarHBondContact O-N 3.09Å; L815-M819 HydrophobicContact CB-CE 4.07Å; L815-M819 VanDerWaalsContact O-CG 3.32Å; L815-M819 WeakPolarHBondContact O-CG 3.17Å; L815-M819 PolarHBondContact O-N 2.9Å; L815-I872 HydrophobicContact CD1-CD1 3.68Å; L815-I872 HydrophobicContact CD1-CG1 4.17Å; L815-W930 HydrophobicContact CD1-CZ2 4.24Å; L815-W930 HydrophobicContact CD2-CH2 3.52Å; L815-W930 HydrophobicContact CD2-CZ2 3.5Å; L815-W930 HydrophobicContact CG-CZ2 4.49Å
816	V	97.9	Very high	96.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-55.5	-40.6	178.2	169.5	0	0	0	0	111.4	K729 M732 A797 Q812 M813 Q818 M819 Y827	K729-V816 WeakPolarHBondContact CE-O 3.42Å; M732-V816 HydrophobicContact CB-CG1 4.32Å; A797-V816 HydrophobicContact CB-CG2 4.05Å; Q812-V816 WeakPolarHBondContact O-CG2 3.5Å; Q812-V816 PolarHBondContact O-N 3.43Å; M813-V816 PolarHBondContact O-N 3.17Å; V816-Q818 PolarHBondContact O-N 2.59Å; V816-M819 PolarHBondContact O-N 2.92Å; V816-Y827 HydrophobicContact CG2-CD1 4.01Å; V816-Y827 HydrophobicContact CG2-CE1 3.43Å; V816-Y827 VanDerWaalsContact CG2-CE1 3.43Å
817	N	97.7	Very high	96.7	Very high	17 Å²	17	14 Å²	14	9%	0.091	7%	0.067	C	C	.	.	H	α-helix	trans	-61.1	-35.5	177.5	-161	38.3	0	0	0	112.1	G644 N645 K729 M732 M813 F814 L815	G644-N817 WeakPolarHBondContact CA-O 3.35Å; G644-N817 PolarHBondContact N-OD1 3.2Å; G644-N817 PolarHBondContact O-ND2 2.96Å; N645-N817 PolarHBondContact OD1-ND2 3.39Å; K729-N817 WeakPolarHBondContact CE-O 3.36Å; K729-N817 PolarHBondContact NZ-O 3.44Å; K729-N817 VanDerWaalsContact NZ-O 3.16Å; M732-N817 HydrophobicContact CE-CB 3.59Å; M813-N817 PolarHBondContact O-N 3.29Å; M813-N817 VanDerWaalsContact O-N 3.1Å; F814-N817 PolarHBondContact O-N 3.42Å; L815-N817 PolarHBondContact O-N 2.94Å
818	Q	96.5	Very high	96.8	Very high	5 Å²	5	13.8 Å²	13.8	2%	0.023	7%	0.066	C	C	.	.	H	α-helix	trans	-79.8	-27.1	-178.4	-173.5	155.5	42.3	0	0	114.4	G594 R595 F814 L815 V816 D820	G594-Q818 PolarHBondContact O-NE2 2.91Å; R595-Q818 VanDerWaalsContact NE-NE2 3.13Å; F814-Q818 PolarHBondContact O-N 3.35Å; L815-Q818 WeakPolarHBondContact O-CA 3.44Å; L815-Q818 WeakPolarHBondContact O-CB 3.31Å; L815-Q818 PolarHBondContact O-N 3.09Å; V816-Q818 PolarHBondContact O-N 2.59Å; Q818-D820 PolarHBondContact O-N 3.02Å
819	M	97.5	Very high	96.9	Very high	7 Å²	7	12.6 Å²	12.6	3%	0.034	6%	0.06	C	C	.	.			trans	-58.7	136.4	-166.6	-76.8	175.1	-172.3	0	0	113.9	N725 K729 L815 V816 Q823 Y827 I872	N725-M819 PolarHBondContact ND2-O 3.24Å; K729-M819 VanDerWaalsContact CE-O 3.22Å; K729-M819 WeakPolarHBondContact CE-O 3.24Å; K729-M819 PolarHBondContact NZ-O 2.85Å; L815-M819 HydrophobicContact CB-CE 4.07Å; L815-M819 VanDerWaalsContact O-CG 3.32Å; L815-M819 WeakPolarHBondContact O-CG 3.17Å; L815-M819 PolarHBondContact O-N 2.9Å; V816-M819 PolarHBondContact O-N 2.92Å; M819-Q823 HydrophobicContact CB-CB 3.93Å; M819-Q823 HydrophobicContact CG-CB 3.74Å; M819-Q823 HydrophobicContact SD-CB 4.42Å; M819-Y827 HydrophobicContact CE-CD1 4.21Å; M819-Y827 HydrophobicContact CE-CD2 3.85Å; M819-Y827 HydrophobicContact CE-CE2 4.49Å; M819-Y827 HydrophobicContact CE-CG 3.68Å; M819-Y827 HydrophobicContact SD-CD1 4.15Å; M819-Y827 HydrophobicContact SD-CG 3.97Å; M819-I872 HydrophobicContact CE-CD1 4.31Å
820	D	97.3	Very high	97.1	Very high	31 Å²	31	12.6 Å²	12.6	17%	0.166	6%	0.06	C	C	.	.			trans	-74.1	178.4	160	73.8	21	0	0	0	111.1	A664 N725 Q818 K822 Q823 S824	A664-D820 HydrophobicContact CB-CB 3.67Å; N725-D820 VanDerWaalsContact ND2-C 3.3Å; N725-D820 PolarHBondContact ND2-O 3.46Å; Q818-D820 PolarHBondContact O-N 3.02Å; D820-K822 VanDerWaalsContact C-N 3.34Å; D820-K822 PolarHBondContact O-N 3.02Å; D820-K822 WeakPolarHBondContact OD1-CA 3.44Å; D820-K822 WeakPolarHBondContact OD1-CB 3.37Å; D820-K822 PolarHBondContact OD1-N 3.5Å; D820-Q823 WeakPolarHBondContact OD1-CB 3.49Å; D820-Q823 VanDerWaalsContact OD1-CG 3.23Å; D820-Q823 WeakPolarHBondContact OD1-CG 3.48Å; D820-Q823 PolarHBondContact OD1-N 3.06Å; D820-S824 WeakPolarHBondContact O-CB 3.42Å; D820-S824 PolarHBondContact O-N 3.14Å; D820-S824 PolarHBondContact O-OG 3.29Å
821	V	98.1	Very high	97	Very high	6 Å²	6	12.8 Å²	12.8	4%	0.036	6%	0.06	C	C	.	.	H	α-helix	trans	-62.3	-41.5	-178.7	-175.4	0	0	0	0	111.7	V207 R225 T248 D721 A722 N725 S824 N825	V207-V821 HydrophobicContact CG1-CB 3.94Å; V207-V821 HydrophobicContact CG1-CG1 3.66Å; V207-V821 HydrophobicContact CG2-CG1 4.38Å; R225-V821 HydrophobicContact CB-CG2 4.1Å; T248-V821 HydrophobicContact CG2-CG2 3.67Å; D721-V821 HydrophobicContact CB-CG1 3.41Å; D721-V821 VanDerWaalsContact CB-CG1 3.41Å; A722-V821 HydrophobicContact CB-CG2 4.36Å; N725-V821 HydrophobicContact CB-CG2 4.28Å; V821-S824 WeakPolarHBondContact CA-OG 3.14Å; V821-S824 PolarHBondContact O-N 3.04Å; V821-S824 PolarHBondContact O-OG 3.23Å; V821-N825 WeakPolarHBondContact O-CB 3.11Å; V821-N825 PolarHBondContact O-N 3.49Å
822	K	96	Very high	97.1	Very high	92 Å²	92	11.9 Å²	11.9	40%	0.4	6%	0.057	S	C	.	.	H	α-helix	trans	-65.6	-44.4	-178.5	-175.6	179	-179.1	177	0	111.8	V207 D820 C826	V207-K822 HydrophobicContact CB-CB 3.99Å; V207-K822 HydrophobicContact CB-CG 4.35Å; V207-K822 HydrophobicContact CG1-CB 4.39Å; V207-K822 HydrophobicContact CG2-CB 4.46Å; D820-K822 VanDerWaalsContact C-N 3.34Å; D820-K822 PolarHBondContact O-N 3.02Å; D820-K822 WeakPolarHBondContact OD1-CA 3.44Å; D820-K822 WeakPolarHBondContact OD1-CB 3.37Å; D820-K822 PolarHBondContact OD1-N 3.5Å; K822-C826 PolarHBondContact O-N 3.14Å
823	Q	96.7	Very high	97	Very high	24 Å²	24	12 Å²	12	11%	0.112	6%	0.057	C	C	.	.	H	α-helix	trans	-65.8	-46.1	177.8	-66.1	169.5	7.8	0	0	110.4	M819 D820 N825 C826 Y827	M819-Q823 HydrophobicContact CB-CB 3.93Å; M819-Q823 HydrophobicContact CG-CB 3.74Å; M819-Q823 HydrophobicContact SD-CB 4.42Å; D820-Q823 WeakPolarHBondContact OD1-CB 3.49Å; D820-Q823 VanDerWaalsContact OD1-CG 3.23Å; D820-Q823 WeakPolarHBondContact OD1-CG 3.48Å; D820-Q823 PolarHBondContact OD1-N 3.06Å; Q823-N825 PolarHBondContact O-N 3.28Å; Q823-C826 PolarHBondContact O-N 3.32Å; Q823-Y827 WeakPolarHBondContact O-CB 3.39Å; Q823-Y827 PolarHBondContact O-N 3.48Å
824	S	98	Very high	97	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.007	7%	0.065	C	C	.	.	H	α-helix	trans	-65.7	-35.9	178.4	60.7	0	0	0	0	113.2	N725 D820 V821 Y827 I828	N725-S824 WeakPolarHBondContact CB-OG 3.3Å; N725-S824 WeakPolarHBondContact ND2-CB 3.01Å; N725-S824 PolarHBondContact ND2-OG 2.81Å; D820-S824 WeakPolarHBondContact O-CB 3.42Å; D820-S824 PolarHBondContact O-N 3.14Å; D820-S824 PolarHBondContact O-OG 3.29Å; V821-S824 WeakPolarHBondContact CA-OG 3.14Å; V821-S824 PolarHBondContact O-N 3.04Å; V821-S824 PolarHBondContact O-OG 3.23Å; S824-Y827 PolarHBondContact O-N 2.77Å; S824-I828 WeakPolarHBondContact O-CB 3.37Å; S824-I828 WeakPolarHBondContact O-CD1 3.41Å; S824-I828 WeakPolarHBondContact O-CG1 3.21Å; S824-I828 PolarHBondContact O-N 2.82Å
825	N	97.3	Very high	96.9	Very high	7 Å²	7	12.8 Å²	12.8	4%	0.037	6%	0.064	C	C	.	.	H	α-helix	trans	-60	-50.1	176.1	173.3	-86.4	0	0	0	110.8	V207 T208 D721 Y788 V821 Q823 Y827 I828 Y829	V207-N825 HydrophobicContact CG2-CB 3.93Å; T208-N825 WeakPolarHBondContact CG2-OD1 3.06Å; D721-N825 PolarHBondContact OD1-ND2 3.22Å; Y788-N825 PolarHBondContact OH-ND2 2.89Å; V821-N825 WeakPolarHBondContact O-CB 3.11Å; V821-N825 PolarHBondContact O-N 3.49Å; Q823-N825 PolarHBondContact O-N 3.28Å; N825-Y827 VanDerWaalsContact C-N 3.33Å; N825-Y827 PolarHBondContact O-N 3.28Å; N825-I828 PolarHBondContact O-N 3.12Å; N825-Y829 PolarHBondContact O-N 3.14Å
826	C	95.7	Very high	96.7	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.014	8%	0.077	C	C	.	.	H	α-helix	trans	-68.3	-30.3	179.3	-167.5	0	0	0	0	113.6	K822 Q823 Y829 D869 N870 R929	K822-C826 PolarHBondContact O-N 3.14Å; Q823-C826 PolarHBondContact O-N 3.32Å; C826-Y829 CarbonylContact O-C 3.55Å; C826-D869 PolarHBondContact SG-O 3Å; C826-N870 CarbonylContact O-C 3.53Å; C826-N870 WeakPolarHBondContact O-CA 3.47Å; C826-R929 VanDerWaalsContact SG-CZ 3.57Å; C826-R929 PolarHBondContact SG-NH1 3.14Å; C826-R929 PolarHBondContact SG-NH2 3.23Å
827	Y	96.7	Very high	96.1	Very high	11 Å²	11	21.1 Å²	21.1	4%	0.043	11%	0.106	C	C	.	.	H	α-helix	trans	-71.3	-41.1	175.3	177.9	-107.1	0	0	0	112	T795 A797 Q812 V816 M819 Q823 S824 N825 N870 I872	T795-Y827 HydrophobicContact CG2-CD1 4.15Å; T795-Y827 HydrophobicContact CG2-CE1 3.66Å; A797-Y827 WeakPolarHBondContact CB-OH 3.31Å; A797-Y827 PolarHBondContact N-OH 3.43Å; Q812-Y827 PolarHBondContact OE1-OH 3.08Å; V816-Y827 HydrophobicContact CG2-CD1 4.01Å; V816-Y827 HydrophobicContact CG2-CE1 3.43Å; V816-Y827 VanDerWaalsContact CG2-CE1 3.43Å; M819-Y827 HydrophobicContact CE-CD1 4.21Å; M819-Y827 HydrophobicContact CE-CD2 3.85Å; M819-Y827 HydrophobicContact CE-CE2 4.49Å; M819-Y827 HydrophobicContact CE-CG 3.68Å; M819-Y827 HydrophobicContact SD-CD1 4.15Å; M819-Y827 HydrophobicContact SD-CG 3.97Å; Q823-Y827 WeakPolarHBondContact O-CB 3.39Å; Q823-Y827 PolarHBondContact O-N 3.48Å; S824-Y827 PolarHBondContact O-N 2.77Å; N825-Y827 VanDerWaalsContact C-N 3.33Å; N825-Y827 PolarHBondContact O-N 3.28Å; Y827-N870 WeakPolarHBondContact CA-O 3.34Å; Y827-I872 HydrophobicContact CD2-CD1 3.59Å; Y827-I872 HydrophobicContact CD2-CG1 4.25Å; Y827-I872 HydrophobicContact CE2-CD1 3.48Å; Y827-I872 VanDerWaalsContact CE2-CD1 3.48Å
828	I	97.6	Very high	95.7	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.015	11%	0.11	C	C	.	.	H	α-helix	trans	-69.9	-47.9	178.7	-68.5	168.9	0	0	0	110.2	M724 Y788 C791 L792 S824 N825	M724-I828 HydrophobicContact CB-CD1 3.92Å; M724-I828 HydrophobicContact CE-CD1 4.04Å; Y788-I828 HydrophobicContact CD1-CG2 4.36Å; Y788-I828 HydrophobicContact CG-CG2 4.3Å; Y788-I828 WeakPolarHBondContact O-CG2 3.4Å; C791-I828 HydrophobicContact CB-CG2 3.9Å; C791-I828 WeakPolarHBondContact CB-O 3.19Å; L792-I828 HydrophobicContact CD1-CD1 4.4Å; L792-I828 HydrophobicContact CD1-CG1 4.17Å; S824-I828 WeakPolarHBondContact O-CB 3.37Å; S824-I828 WeakPolarHBondContact O-CD1 3.41Å; S824-I828 WeakPolarHBondContact O-CG1 3.21Å; S824-I828 PolarHBondContact O-N 2.82Å; N825-I828 PolarHBondContact O-N 3.12Å
829	Y	97.7	Very high	95	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	14%	0.135	C	C	.	.	S	Bend	trans	-123.3	103.4	177.4	-166.6	-86.6	0	0	0	109.9	P180 I181 L787 Y788 N825 C826 R854 C855 V953 E954	P180-Y829 HydrophobicContact CB-CD1 4.19Å; P180-Y829 HydrophobicContact CB-CE1 4.09Å; P180-Y829 HydrophobicContact CB-CE2 4.48Å; P180-Y829 HydrophobicContact CB-CG 4.43Å; P180-Y829 HydrophobicContact CG-CD1 4.45Å; P180-Y829 HydrophobicContact CG-CD2 4.01Å; P180-Y829 HydrophobicContact CG-CE1 4.23Å; P180-Y829 HydrophobicContact CG-CE2 3.77Å; P180-Y829 HydrophobicContact CG-CG 4.34Å; I181-Y829 HydrophobicContact CD1-CE1 3.96Å; L787-Y829 HydrophobicContact CD2-CD2 4.39Å; L787-Y829 HydrophobicContact CD2-CE2 4Å; L787-Y829 HydrophobicContact CG-CD2 4.5Å; L787-Y829 HydrophobicContact CG-CE2 4.46Å; Y788-Y829 HydrophobicContact CE1-CD2 4.4Å; Y788-Y829 HydrophobicContact CE1-CG 4.23Å; N825-Y829 PolarHBondContact O-N 3.14Å; C826-Y829 CarbonylContact O-C 3.55Å; Y829-R854 WeakPolarHBondContact OH-CA 3.29Å; Y829-C855 HydrophobicContact CE2-CB 4.46Å; Y829-C855 PolarHBondContact OH-N 3.22Å; Y829-C855 VanDerWaalsContact OH-N 3.09Å; Y829-V953 HydrophobicContact CD2-CG2 3.84Å; Y829-V953 HydrophobicContact CE2-CG2 3.96Å; Y829-E954 HydrophobicContact CE2-CG 4.14Å; Y829-E954 PolarHBondContact OH-OE1 2.96Å
830	P	96.4	Very high	94.4	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	15%	0.153	C	C	.	.			trans	-59.4	156.2	177.5	-22.7	33.3	0	0	0	112.5	C855 L868 D869 N870 F951	P830-C855 PolarHBondContact O-SG 2.83Å; P830-L868 HydrophobicContact CB-CD1 4.23Å; P830-L868 HydrophobicContact CB-CD2 4.07Å; P830-L868 HydrophobicContact CB-CG 4.07Å; P830-D869 WeakPolarHBondContact CA-O 3.1Å; P830-N870 HydrophobicContact CB-CB 3.93Å; P830-N870 HydrophobicContact CG-CB 3.86Å; P830-F951 HydrophobicContact CG-CB 4.36Å; P830-F951 HydrophobicContact CG-CD1 4.31Å
831	H	95.7	Very high	93.8	Very high	14 Å²	14	29.5 Å²	29.5	7%	0.065	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129	169.5	-61.1	152	0	0	0	110.2	Y833 L868 D869	H831-Y833 HydrophobicContact CB-CE1 3.92Å; H831-Y833 HydrophobicContact CB-CE2 3.77Å; H831-Y833 VanDerWaalsContact CB-OH 3.26Å; H831-Y833 WeakPolarHBondContact CB-OH 3.48Å; H831-Y833 PolarHBondContact ND1-OH 2.86Å; H831-L868 CarbonylContact O-C 3.54Å; H831-L868 WeakPolarHBondContact O-CA 3.3Å; H831-D869 PolarHBondContact N-O 3.24Å; H831-D869 PolarHBondContact O-N 3.45Å
832	L	97.2	Very high	93.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	109.7	178	-178	64.9	0	0	0	109.3	A852 I853 L860 Y866 L868 M952	L832-A852 CarbonylContact O-C 3.57Å; L832-A852 WeakPolarHBondContact O-CA 3.36Å; L832-I853 HydrophobicContact CB-CG1 4.12Å; L832-I853 HydrophobicContact CD2-CD1 3.73Å; L832-I853 HydrophobicContact CD2-CG1 3.79Å; L832-I853 HydrophobicContact CG-CD1 4.12Å; L832-I853 HydrophobicContact CG-CG1 3.84Å; L832-I853 WeakPolarHBondContact O-CG1 3.48Å; L832-I853 PolarHBondContact O-N 3.41Å; L832-L860 HydrophobicContact CD2-CD2 3.8Å; L832-Y866 HydrophobicContact CD1-CD1 4.39Å; L832-Y866 HydrophobicContact CD1-CG 4.3Å; L832-Y866 HydrophobicContact CG-CD1 4.25Å; L832-L868 HydrophobicContact CD1-CB 4.03Å; L832-L868 HydrophobicContact CD1-CD1 4.32Å; L832-M952 HydrophobicContact CD1-CE 4.42Å; L832-M952 HydrophobicContact CD2-CE 4.29Å; L832-M952 HydrophobicContact CD2-SD 4.17Å
833	Y	95.6	Very high	92.5	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.2	-177	-53.1	-65.3	0	0	0	110.6	H831 I835 P850 A852 Y866 L867 D869	H831-Y833 HydrophobicContact CB-CE1 3.92Å; H831-Y833 HydrophobicContact CB-CE2 3.77Å; H831-Y833 VanDerWaalsContact CB-OH 3.26Å; H831-Y833 WeakPolarHBondContact CB-OH 3.48Å; H831-Y833 PolarHBondContact ND1-OH 2.86Å; Y833-I835 PolarHBondContact O-N 2.64Å; Y833-P850 HydrophobicContact CD1-CB 3.95Å; Y833-P850 HydrophobicContact CD1-CG 4.27Å; Y833-P850 HydrophobicContact CE1-CB 4.49Å; Y833-P850 VanDerWaalsContact CE1-O 3.31Å; Y833-P850 WeakPolarHBondContact CE1-O 3.47Å; Y833-P850 HydrophobicContact CG-CB 4.46Å; Y833-A852 HydrophobicContact CD1-CB 3.99Å; Y833-A852 HydrophobicContact CE1-CB 3.87Å; Y833-Y866 CarbonylContact O-C 3.59Å; Y833-Y866 VanDerWaalsContact O-CA 3.23Å; Y833-Y866 WeakPolarHBondContact O-CA 3.5Å; Y833-L867 HydrophobicContact CD2-CD2 4.43Å; Y833-L867 WeakPolarHBondContact CD2-O 3.5Å; Y833-L867 PolarHBondContact N-O 3.33Å; Y833-L867 PolarHBondContact O-N 3.2Å; Y833-D869 HydrophobicContact CE2-CB 4.16Å
834	P	96.1	Very high	92	Very high	37 Å²	37	42.8 Å²	42.8	24%	0.24	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	127.9	164.2	-16.1	30.2	0	0	0	109.7	A851 I853 Y866	P834-A851 WeakPolarHBondContact CD-O 3.41Å; P834-I853 HydrophobicContact CG-CG1 4.48Å; P834-I853 HydrophobicContact CG-CG2 3.92Å; P834-Y866 HydrophobicContact CB-CD1 4.18Å; P834-Y866 HydrophobicContact CB-CE1 4.04Å; P834-Y866 HydrophobicContact CG-CD1 4.23Å; P834-Y866 HydrophobicContact CG-CE1 4.03Å
835	I	95.7	Very high	91.4	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	25%	0.247	C	C	.	.			trans	-122.1	-1.5	-176.1	59.6	165.9	0	0	0	114.3	Y833 D837 L838 A865 L867 M876 W886 L918 L921	Y833-I835 PolarHBondContact O-N 2.64Å; I835-D837 VanDerWaalsContact C-N 3.35Å; I835-L838 HydrophobicContact CB-CD1 4.38Å; I835-L838 HydrophobicContact CB-CG 4.37Å; I835-L838 HydrophobicContact CG2-CD2 4.34Å; I835-A865 HydrophobicContact CD1-CB 4.01Å; I835-A865 VanDerWaalsContact CG1-C 3.45Å; I835-A865 HydrophobicContact CG1-CB 3.71Å; I835-A865 WeakPolarHBondContact CG1-O 3.33Å; I835-A865 PolarHBondContact N-O 3.41Å; I835-L867 HydrophobicContact CD1-CB 4.34Å; I835-L867 HydrophobicContact CG2-CB 3.61Å; I835-M876 HydrophobicContact CD1-CE 3.69Å; I835-M876 HydrophobicContact CD1-CG 3.87Å; I835-M876 HydrophobicContact CD1-SD 3.99Å; I835-W886 HydrophobicContact CD1-CH2 4.28Å; I835-W886 HydrophobicContact CD1-CZ2 4.12Å; I835-W886 HydrophobicContact CG1-CZ2 4.32Å; I835-L918 HydrophobicContact CB-CD1 3.98Å; I835-L918 HydrophobicContact CD1-CD1 3.81Å; I835-L918 HydrophobicContact CD1-CD2 4.28Å; I835-L918 HydrophobicContact CG1-CD1 4.47Å; I835-L918 HydrophobicContact CG2-CD1 4.07Å; I835-L921 HydrophobicContact CG2-CD2 3.9Å
836	H	92.9	Very high	90.8	Very high	63 Å²	63	45.7 Å²	45.7	29%	0.292	25%	0.246	S	C	.	.	S	Bend	trans	-74.9	-27.6	176.8	56.9	-77.3	0	0	0	112.4	A864 A865 I882	H836-A864 WeakPolarHBondContact CE1-CB 3.11Å; H836-A864 VanDerWaalsContact ND1-CB 3.26Å; H836-A864 WeakPolarHBondContact ND1-CB 3.41Å; H836-A865 HydrophobicContact CB-CB 4.44Å; H836-A865 PolarHBondContact ND1-N 3.46Å; H836-A865 PolarHBondContact ND1-O 2.96Å; H836-I882 HydrophobicContact CB-CD1 4.38Å
837	D	86.5	Confident	90.3	Very high	116 Å²	116	48.2 Å²	48.2	62%	0.62	26%	0.263	S	S	*	.	S	Bend	trans	-126.7	68.2	177	-172.3	14.1	0	0	0	110.4	I835 S839	I835-D837 VanDerWaalsContact C-N 3.35Å; D837-S839 PolarHBondContact O-N 3.05Å; D837-S839 VanDerWaalsContact O-N 3.12Å
838	L	88.2	Confident	89.8	Confident	32 Å²	32	51.4 Å²	51.4	17%	0.168	28%	0.275	C	S	.	.			trans	-76.6	96.6	176.1	-73.4	174.9	0	0	0	110.1	I835 L918 L921	I835-L838 HydrophobicContact CB-CD1 4.38Å; I835-L838 HydrophobicContact CB-CG 4.37Å; I835-L838 HydrophobicContact CG2-CD2 4.34Å; L838-L918 HydrophobicContact CD1-CB 4.38Å; L838-L918 HydrophobicContact CD1-CD1 4.15Å; L838-L921 HydrophobicContact CD1-CD2 4.13Å; L838-L921 HydrophobicContact CD2-CD2 3.92Å
839	S	81.7	Confident	89	Confident	79 Å²	79	53.1 Å²	53.1	55%	0.552	29%	0.286	S	S	*	.			trans	-74.9	136.1	173.4	-41.3	0	0	0	0	111.7	D837 P847	D837-S839 PolarHBondContact O-N 3.05Å; D837-S839 VanDerWaalsContact O-N 3.12Å; S839-P847 WeakPolarHBondContact O-CD 3.22Å
840	L	85.3	Confident	88.5	Confident	80 Å²	80	53.5 Å²	53.5	42%	0.419	29%	0.289	S	S	.	.			trans	-81.4	151.3	171.3	-59	177.5	0	0	0	110.6	I846	L840-I846 HydrophobicContact CD2-CG1 3.69Å
841	N	84.7	Confident	88.1	Confident	44 Å²	44	57 Å²	57	24%	0.235	32%	0.318	C	S	.	.			trans	-73.8	177.1	168.8	73.6	8	0	0	0	110.7	E843 G844 D845	N841-E843 PolarHBondContact O-N 3.5Å; N841-E843 VanDerWaalsContact O-N 3.15Å; N841-E843 WeakPolarHBondContact OD1-CA 3.43Å; N841-E843 WeakPolarHBondContact OD1-CB 3.48Å; N841-E843 PolarHBondContact OD1-N 3.09Å; N841-G844 PolarHBondContact O-N 3.25Å; N841-G844 PolarHBondContact OD1-N 2.68Å; N841-D845 PolarHBondContact N-O 2.98Å; N841-D845 PolarHBondContact OD1-N 3.46Å; N841-D845 PolarHBondContact OD1-O 3.01Å; N841-D845 VanDerWaalsContact OD1-O 3.08Å
842	F	83.6	Confident	88.1	Confident	197 Å²	197	57 Å²	57	86%	0.864	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.3	178.8	32.9	-94.4	0	0	0	114.3	G844	F842-G844 VanDerWaalsContact C-N 3.33Å
843	E	84.5	Confident	88	Confident	155 Å²	155	59.2 Å²	59.2	72%	0.724	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	1.5	174.6	-56.4	-177.7	155.3	0	0	112.5	N841 D845	N841-E843 PolarHBondContact O-N 3.5Å; N841-E843 VanDerWaalsContact O-N 3.15Å; N841-E843 WeakPolarHBondContact OD1-CA 3.43Å; N841-E843 WeakPolarHBondContact OD1-CB 3.48Å; N841-E843 PolarHBondContact OD1-N 3.09Å; E843-D845 VanDerWaalsContact C-N 3.29Å
844	G	84.5	Confident	88.1	Confident	50 Å²	50	59.8 Å²	59.8	52%	0.515	33%	0.334	S	S	.	.	S	Bend	trans	75	17.7	-176.6	0	0	0	0	0	113.6	N841 F842	N841-G844 PolarHBondContact O-N 3.25Å; N841-G844 PolarHBondContact OD1-N 2.68Å; F842-G844 VanDerWaalsContact C-N 3.33Å
845	D	85.6	Confident	88.1	Confident	65 Å²	65	58 Å²	58	35%	0.348	32%	0.323	S	S	.	.	S	Bend	trans	-111.4	155.4	179.7	-166	11.3	0	0	0	111.3	N841 E843 P847 K924	N841-D845 PolarHBondContact N-O 2.98Å; N841-D845 PolarHBondContact OD1-N 3.46Å; N841-D845 PolarHBondContact OD1-O 3.01Å; N841-D845 VanDerWaalsContact OD1-O 3.08Å; E843-D845 VanDerWaalsContact C-N 3.29Å; D845-P847 WeakPolarHBondContact O-CD 3.28Å; D845-K924 WeakPolarHBondContact OD1-CE 3.4Å; D845-K924 IonicContact OD1-NZ 2.91Å; D845-K924 PolarHBondContact OD1-NZ 2.73Å; D845-K924 IonicContact OD2-NZ 2.87Å; D845-K924 PolarHBondContact OD2-NZ 3.27Å
846	I	86	Confident	88.1	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.015	33%	0.326	C	S	.	.			trans	-73.8	121.2	176.6	-61.2	172.9	0	0	0	108.2	L840 Y848 N917 T920 L921 K924	L840-I846 HydrophobicContact CD2-CG1 3.69Å; I846-Y848 PolarHBondContact O-N 3.02Å; I846-N917 VanDerWaalsContact CD1-C 3.47Å; I846-N917 HydrophobicContact CD1-CB 3.85Å; I846-N917 WeakPolarHBondContact CD1-O 3.09Å; I846-N917 HydrophobicContact CG1-CB 4.47Å; I846-T920 HydrophobicContact CD1-CG2 4.16Å; I846-L921 HydrophobicContact CD1-CB 4.11Å; I846-L921 HydrophobicContact CG2-CD1 4.4Å; I846-K924 PolarHBondContact O-NZ 3.14Å
847	P	84.7	Confident	88.1	Confident	56 Å²	56	57.8 Å²	57.8	36%	0.364	32%	0.321	S	S	.	.			trans	-56.9	129.5	174.3	23.2	-31.4	0	0	0	109.3	S839 D845 P849	S839-P847 WeakPolarHBondContact O-CD 3.22Å; D845-P847 WeakPolarHBondContact O-CD 3.28Å; P847-P849 CarbonylContact O-C 3.4Å
848	Y	85	Confident	88.4	Confident	78 Å²	78	59.1 Å²	59.1	31%	0.306	33%	0.328	S	S	.	.	S	Bend	trans	-124.8	128.5	179.7	-176.2	-92.8	0	0	0	110.8	I846 K924 V925 N928	I846-Y848 PolarHBondContact O-N 3.02Å; Y848-K924 HydrophobicContact CD2-CB 3.67Å; Y848-K924 HydrophobicContact CD2-CD 4.31Å; Y848-K924 HydrophobicContact CE2-CB 4.04Å; Y848-K924 HydrophobicContact CG-CB 4.14Å; Y848-K924 HydrophobicContact CG-CD 4.19Å; Y848-V925 HydrophobicContact CE2-CG2 3.89Å; Y848-N928 HydrophobicContact CE1-CB 4.45Å; Y848-N928 WeakPolarHBondContact CE1-ND2 3.19Å; Y848-N928 VanDerWaalsContact CZ-ND2 3.29Å; Y848-N928 VanDerWaalsContact OH-CB 3.3Å; Y848-N928 WeakPolarHBondContact OH-CB 3.39Å; Y848-N928 PolarHBondContact OH-ND2 3.41Å
849	P	82	Confident	88.7	Confident	38 Å²	38	62 Å²	62	25%	0.247	34%	0.337	C	S	.	.	S	Bend	cis	-69.2	150.1	-8.6	28.8	-32.6	0	0	0	111.7	P847	P847-P849 CarbonylContact O-C 3.4Å
850	P	86.4	Confident	89.3	Confident	9 Å²	9	58.8 Å²	58.8	6%	0.058	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-62.5	160.9	170.6	-18.3	30.4	0	0	0	111.5	Y833 A852 L921	Y833-P850 HydrophobicContact CD1-CB 3.95Å; Y833-P850 HydrophobicContact CD1-CG 4.27Å; Y833-P850 HydrophobicContact CE1-CB 4.49Å; Y833-P850 VanDerWaalsContact CE1-O 3.31Å; Y833-P850 WeakPolarHBondContact CE1-O 3.47Å; Y833-P850 HydrophobicContact CG-CB 4.46Å; P850-A852 PolarHBondContact O-N 3.32Å; P850-L921 HydrophobicContact CG-CD1 3.36Å; P850-L921 HydrophobicContact CG-CD2 4.16Å; P850-L921 HydrophobicContact CG-CG 4.42Å
851	A	89	Confident	89.8	Confident	75 Å²	75	60 Å²	60	62%	0.62	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-61.1	120.3	172.6	0	0	0	0	0	110	P834	P834-A851 WeakPolarHBondContact CD-O 3.41Å
852	A	94.4	Very high	90.3	Very high	14 Å²	14	61.1 Å²	61.1	12%	0.116	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-89	157.5	176.1	0	0	0	0	0	110.8	I181 L832 Y833 P850	I181-A852 HydrophobicContact CD1-CB 3.83Å; I181-A852 WeakPolarHBondContact CG2-O 3.22Å; L832-A852 CarbonylContact O-C 3.57Å; L832-A852 WeakPolarHBondContact O-CA 3.36Å; Y833-A852 HydrophobicContact CD1-CB 3.99Å; Y833-A852 HydrophobicContact CE1-CB 3.87Å; P850-A852 PolarHBondContact O-N 3.32Å
853	I	96	Very high	90.9	Very high	46 Å²	46	56.5 Å²	56.5	24%	0.236	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-112.2	168.6	169	60.9	160.4	0	0	0	110.3	L832 P834 R859 Y866	L832-I853 HydrophobicContact CB-CG1 4.12Å; L832-I853 HydrophobicContact CD2-CD1 3.73Å; L832-I853 HydrophobicContact CD2-CG1 3.79Å; L832-I853 HydrophobicContact CG-CD1 4.12Å; L832-I853 HydrophobicContact CG-CG1 3.84Å; L832-I853 WeakPolarHBondContact O-CG1 3.48Å; L832-I853 PolarHBondContact O-N 3.41Å; P834-I853 HydrophobicContact CG-CG1 4.48Å; P834-I853 HydrophobicContact CG-CG2 3.92Å; I853-R859 HydrophobicContact CD1-CB 4.03Å; I853-Y866 HydrophobicContact CD1-CD1 3.91Å; I853-Y866 HydrophobicContact CD1-CE1 3.49Å; I853-Y866 VanDerWaalsContact CD1-CE1 3.49Å; I853-Y866 HydrophobicContact CG1-CE1 4.49Å
854	R	96.7	Very high	91.5	Very high	17 Å²	17	49.1 Å²	49.1	6%	0.064	27%	0.272	C	S	.	.			trans	-64.4	141.4	178	-70.8	-179.7	75.5	171.9	0.3	111.2	A174 I181 Y829 S856 R859 E954	A174-R854 PolarHBondContact O-NH1 3.03Å; I181-R854 HydrophobicContact CG1-CG 4.26Å; Y829-R854 WeakPolarHBondContact OH-CA 3.29Å; R854-S856 PolarHBondContact O-N 2.84Å; R854-R859 HydrophobicContact CB-CG 4.45Å; R854-E954 WeakPolarHBondContact CB-OE1 3.46Å; R854-E954 IonicContact CZ-OE1 2.73Å; R854-E954 IonicContact CZ-OE2 3.38Å; R854-E954 IonicContact NE-OE1 2.94Å; R854-E954 PolarHBondContact NE-OE1 3.4Å; R854-E954 IonicContact NE-OE2 2.67Å; R854-E954 PolarHBondContact NE-OE2 3.06Å; R854-E954 IonicContact NH2-OE1 3.14Å; R854-E954 IonicContact NH2-OE2 3.66Å; R854-E954 PolarHBondContact NH2-OE2 2.95Å
855	C	96.8	Very high	92	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-77.6	71.7	177.5	-74.5	0	0	0	0	111.8	Y829 P830 M952 V953 E954	Y829-C855 HydrophobicContact CE2-CB 4.46Å; Y829-C855 PolarHBondContact OH-N 3.22Å; Y829-C855 VanDerWaalsContact OH-N 3.09Å; P830-C855 PolarHBondContact O-SG 2.83Å; C855-M952 CarbonylContact O-C 3.39Å; C855-M952 VanDerWaalsContact O-CA 3.29Å; C855-M952 WeakPolarHBondContact O-CA 3.45Å; C855-V953 HydrophobicContact CB-CG2 3.92Å; C855-V953 PolarHBondContact O-N 3.45Å; C855-E954 WeakPolarHBondContact O-CB 3.38Å; C855-E954 PolarHBondContact O-N 3.19Å; C855-E954 VanDerWaalsContact O-N 3.16Å
856	S	95.3	Very high	92.6	Very high	12 Å²	12	43.9 Å²	43.9	8%	0.084	23%	0.231	C	C	.	.			trans	-137.9	135.9	173.5	172.3	0	0	0	0	109.4	R854 D858 R859 D955	R854-S856 PolarHBondContact O-N 2.84Å; S856-D858 PolarHBondContact O-N 3.18Å; S856-D858 PolarHBondContact OG-N 3.05Å; S856-R859 WeakPolarHBondContact O-CB 3.27Å; S856-R859 PolarHBondContact O-N 3.05Å; S856-D955 WeakPolarHBondContact CA-OD2 3.35Å; S856-D955 VanDerWaalsContact CB-OD1 3.28Å; S856-D955 WeakPolarHBondContact CB-OD1 3.24Å; S856-D955 PolarHBondContact OG-OD1 3.17Å; S856-D955 PolarHBondContact OG-OD2 2.93Å
857	Y	93.6	Very high	93.1	Very high	48 Å²	48	43.8 Å²	43.8	19%	0.188	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-60.1	-32.3	179.4	-165.2	-88.9	0	0	0	111.5	R859 L860 E945 R949 M952 D955	Y857-R859 PolarHBondContact O-N 3.24Å; Y857-R859 VanDerWaalsContact O-N 3.14Å; Y857-L860 HydrophobicContact CD2-CD1 3.67Å; Y857-L860 HydrophobicContact CE2-CD1 3.88Å; Y857-L860 HydrophobicContact CG-CD1 4.19Å; Y857-L860 WeakPolarHBondContact O-CB 3.36Å; Y857-L860 WeakPolarHBondContact O-CG 2.83Å; Y857-L860 PolarHBondContact O-N 3.4Å; Y857-E945 PolarHBondContact OH-OE1 2.83Å; Y857-E945 VanDerWaalsContact OH-OE1 3.09Å; Y857-R949 HydrophobicContact CD2-CG 3.85Å; Y857-R949 HydrophobicContact CE2-CG 3.95Å; Y857-R949 PolarHBondContact OH-NH2 3.06Å; Y857-M952 HydrophobicContact CD2-CG 4.43Å; Y857-D955 WeakPolarHBondContact CB-OD2 3.45Å; Y857-D955 PolarHBondContact N-OD2 3.21Å
858	D	92.5	Very high	93.7	Very high	144 Å²	144	41.1 Å²	41.1	77%	0.77	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-66.9	-11.9	177.1	-69.4	-14.8	0	0	0	113	S856	S856-D858 PolarHBondContact O-N 3.18Å; S856-D858 PolarHBondContact OG-N 3.05Å
859	R	94	Very high	94.2	Very high	91 Å²	91	37.4 Å²	37.4	34%	0.343	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-90.7	-7.7	174.3	-56.2	-62.4	-175.5	168.7	1.3	113.4	D175 I853 R854 S856 Y857 Y866	D175-R859 IonicContact OD1-CZ 3.61Å; D175-R859 IonicContact OD1-NH1 3.56Å; D175-R859 PolarHBondContact OD1-NH1 3.37Å; D175-R859 IonicContact OD1-NH2 2.71Å; D175-R859 PolarHBondContact OD1-NH2 3.47Å; I853-R859 HydrophobicContact CD1-CB 4.03Å; R854-R859 HydrophobicContact CB-CG 4.45Å; S856-R859 WeakPolarHBondContact O-CB 3.27Å; S856-R859 PolarHBondContact O-N 3.05Å; Y857-R859 PolarHBondContact O-N 3.24Å; Y857-R859 VanDerWaalsContact O-N 3.14Å; R859-Y866 PolarHBondContact O-OH 2.96Å
860	L	95.3	Very high	94.8	Very high	12 Å²	12	35.8 Å²	35.8	6%	0.063	19%	0.188	C	C	.	.			trans	-79.9	125.3	178.4	-56.9	177.7	0	0	0	109.9	L832 Y857 M862 Y866 W877 F948	L832-L860 HydrophobicContact CD2-CD2 3.8Å; Y857-L860 HydrophobicContact CD2-CD1 3.67Å; Y857-L860 HydrophobicContact CE2-CD1 3.88Å; Y857-L860 HydrophobicContact CG-CD1 4.19Å; Y857-L860 WeakPolarHBondContact O-CB 3.36Å; Y857-L860 WeakPolarHBondContact O-CG 2.83Å; Y857-L860 PolarHBondContact O-N 3.4Å; L860-M862 HydrophobicContact CB-CE 4.26Å; L860-M862 VanDerWaalsContact O-CE 3.27Å; L860-M862 WeakPolarHBondContact O-CE 3.25Å; L860-Y866 HydrophobicContact CB-CE2 4.11Å; L860-Y866 HydrophobicContact CD2-CD1 4.08Å; L860-Y866 HydrophobicContact CD2-CD2 3.54Å; L860-Y866 HydrophobicContact CD2-CE1 4.2Å; L860-Y866 HydrophobicContact CD2-CE2 3.66Å; L860-Y866 HydrophobicContact CD2-CG 3.75Å; L860-W877 HydrophobicContact CB-CH2 4.23Å; L860-W877 HydrophobicContact CB-CZ3 4.3Å; L860-W877 HydrophobicContact CD1-CD2 4.37Å; L860-W877 HydrophobicContact CD1-CH2 4.49Å; L860-W877 HydrophobicContact CD1-CZ2 4.35Å; L860-F948 HydrophobicContact CD1-CE1 3.7Å; L860-F948 HydrophobicContact CD1-CZ 4.09Å
861	Q	95.9	Very high	95.1	Very high	106 Å²	106	35.7 Å²	35.7	50%	0.495	19%	0.189	S	C	.	.			trans	-84.6	140.1	168.7	-65.6	175.4	-34.2	0	0	109.3	D863 A864 Y866	Q861-D863 VanDerWaalsContact C-N 3.27Å; Q861-D863 WeakPolarHBondContact CB-OD1 3.46Å; Q861-D863 PolarHBondContact O-N 3.32Å; Q861-A864 HydrophobicContact CB-CB 3.81Å; Q861-A864 PolarHBondContact O-N 3.29Å; Q861-Y866 WeakPolarHBondContact CB-OH 3.33Å; Q861-Y866 PolarHBondContact N-OH 2.93Å
862	M	94.7	Very high	95.2	Very high	68 Å²	68	32.3 Å²	32.3	34%	0.335	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-17.8	-175.1	-61.9	-60.7	110.7	0	0	112.8	L860 W877 G879 P880 N881	L860-M862 HydrophobicContact CB-CE 4.26Å; L860-M862 VanDerWaalsContact O-CE 3.27Å; L860-M862 WeakPolarHBondContact O-CE 3.25Å; M862-W877 HydrophobicContact CE-CH2 3.97Å; M862-W877 HydrophobicContact CE-CZ2 4.47Å; M862-W877 HydrophobicContact SD-CH2 4.28Å; M862-G879 CarbonylContact O-C 3.57Å; M862-G879 VanDerWaalsContact O-CA 3.3Å; M862-G879 WeakPolarHBondContact O-CA 3.39Å; M862-P880 HydrophobicContact CB-CG 4.11Å; M862-P880 WeakPolarHBondContact O-CD 3.36Å; M862-P880 VanDerWaalsContact O-N 3.17Å; M862-P880 HydrophobicContact SD-CG 4.12Å; M862-N881 WeakPolarHBondContact O-CA 3.5Å; M862-N881 WeakPolarHBondContact O-CB 3.36Å; M862-N881 PolarHBondContact O-N 3.45Å
863	D	96	Very high	95.1	Very high	100 Å²	100	33.4 Å²	33.4	54%	0.535	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	12.4	177.3	58.1	-28.7	0	0	0	113.4	Q861 N881	Q861-D863 VanDerWaalsContact C-N 3.27Å; Q861-D863 WeakPolarHBondContact CB-OD1 3.46Å; Q861-D863 PolarHBondContact O-N 3.32Å; D863-N881 HydrophobicContact CB-CB 4.19Å
864	A	96.3	Very high	95.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.			trans	-118.5	163.5	-174.7	0	0	0	0	0	112.9	H836 Q861 Y866 G879	H836-A864 WeakPolarHBondContact CE1-CB 3.11Å; H836-A864 VanDerWaalsContact ND1-CB 3.26Å; H836-A864 WeakPolarHBondContact ND1-CB 3.41Å; Q861-A864 HydrophobicContact CB-CB 3.81Å; Q861-A864 PolarHBondContact O-N 3.29Å; A864-Y866 HydrophobicContact CB-CD2 4.39Å; A864-Y866 HydrophobicContact CB-CE2 3.53Å; A864-G879 VanDerWaalsContact O-CA 3.26Å; A864-G879 WeakPolarHBondContact O-CA 3.38Å; A864-G879 PolarHBondContact O-N 3.03Å
865	A	96.6	Very high	95	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	148.9	165.7	0	0	0	0	0	110.3	I835 H836 W877 I882 W886	I835-A865 HydrophobicContact CD1-CB 4.01Å; I835-A865 VanDerWaalsContact CG1-C 3.45Å; I835-A865 HydrophobicContact CG1-CB 3.71Å; I835-A865 WeakPolarHBondContact CG1-O 3.33Å; I835-A865 PolarHBondContact N-O 3.41Å; H836-A865 HydrophobicContact CB-CB 4.44Å; H836-A865 PolarHBondContact ND1-N 3.46Å; H836-A865 PolarHBondContact ND1-O 2.96Å; A865-W877 WeakPolarHBondContact CA-O 3.44Å; A865-I882 HydrophobicContact CB-CD1 3.48Å; A865-I882 VanDerWaalsContact CB-CD1 3.48Å; A865-W886 HydrophobicContact CB-CH2 3.64Å; A865-W886 HydrophobicContact CB-CZ2 3.79Å; A865-W886 HydrophobicContact CB-CZ3 4.13Å
866	Y	97.5	Very high	95	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.02	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.1	-178.4	-59.2	-93.4	0	0	0	111.8	L832 Y833 P834 I853 R859 L860 Q861 A864 M876 W877	L832-Y866 HydrophobicContact CD1-CD1 4.39Å; L832-Y866 HydrophobicContact CD1-CG 4.3Å; L832-Y866 HydrophobicContact CG-CD1 4.25Å; Y833-Y866 CarbonylContact O-C 3.59Å; Y833-Y866 VanDerWaalsContact O-CA 3.23Å; Y833-Y866 WeakPolarHBondContact O-CA 3.5Å; P834-Y866 HydrophobicContact CB-CD1 4.18Å; P834-Y866 HydrophobicContact CB-CE1 4.04Å; P834-Y866 HydrophobicContact CG-CD1 4.23Å; P834-Y866 HydrophobicContact CG-CE1 4.03Å; I853-Y866 HydrophobicContact CD1-CD1 3.91Å; I853-Y866 HydrophobicContact CD1-CE1 3.49Å; I853-Y866 VanDerWaalsContact CD1-CE1 3.49Å; I853-Y866 HydrophobicContact CG1-CE1 4.49Å; R859-Y866 PolarHBondContact O-OH 2.96Å; L860-Y866 HydrophobicContact CB-CE2 4.11Å; L860-Y866 HydrophobicContact CD2-CD1 4.08Å; L860-Y866 HydrophobicContact CD2-CD2 3.54Å; L860-Y866 HydrophobicContact CD2-CE1 4.2Å; L860-Y866 HydrophobicContact CD2-CE2 3.66Å; L860-Y866 HydrophobicContact CD2-CG 3.75Å; Q861-Y866 WeakPolarHBondContact CB-OH 3.33Å; Q861-Y866 PolarHBondContact N-OH 2.93Å; A864-Y866 HydrophobicContact CB-CD2 4.39Å; A864-Y866 HydrophobicContact CB-CE2 3.53Å; Y866-M876 CarbonylContact O-C 3.44Å; Y866-M876 WeakPolarHBondContact O-CA 3.46Å; Y866-W877 AromaticContact CD2-CE3 3.7Å; Y866-W877 HydrophobicContact CD2-CE3 3.7Å; Y866-W877 AromaticContact CD2-CZ3 3.91Å; Y866-W877 HydrophobicContact CD2-CZ3 3.91Å; Y866-W877 HydrophobicContact CE2-CE3 4.25Å; Y866-W877 AromaticContact CE2-CZ3 3.99Å; Y866-W877 HydrophobicContact CE2-CZ3 3.99Å; Y866-W877 PolarHBondContact N-O 3.31Å; Y866-W877 PolarHBondContact O-N 2.94Å
867	L	97	Very high	95.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.4	170.6	-179.5	69.6	0	0	0	109.2	Y833 I835 L874 I875 L921 L922 L935	Y833-L867 HydrophobicContact CD2-CD2 4.43Å; Y833-L867 WeakPolarHBondContact CD2-O 3.5Å; Y833-L867 PolarHBondContact N-O 3.33Å; Y833-L867 PolarHBondContact O-N 3.2Å; I835-L867 HydrophobicContact CD1-CB 4.34Å; I835-L867 HydrophobicContact CG2-CB 3.61Å; L867-L874 HydrophobicContact CD1-CB 4.29Å; L867-L874 HydrophobicContact CD1-CD2 4.34Å; L867-I875 CarbonylContact C-O 3.57Å; L867-I875 WeakPolarHBondContact CA-O 3.41Å; L867-L921 HydrophobicContact CD2-CD2 4.16Å; L867-L921 HydrophobicContact CD2-CG 4.34Å; L867-L922 HydrophobicContact CD1-CD2 3.88Å; L867-L922 HydrophobicContact CD2-CD2 3.82Å; L867-L935 HydrophobicContact CD1-CD1 4.04Å
868	L	97.3	Very high	95.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.7	171.7	-174.5	141.6	0	0	0	110.5	P830 H831 L832 N870 L874 I875 F948 F951 M952	P830-L868 HydrophobicContact CB-CD1 4.23Å; P830-L868 HydrophobicContact CB-CD2 4.07Å; P830-L868 HydrophobicContact CB-CG 4.07Å; H831-L868 CarbonylContact O-C 3.54Å; H831-L868 WeakPolarHBondContact O-CA 3.3Å; L832-L868 HydrophobicContact CD1-CB 4.03Å; L832-L868 HydrophobicContact CD1-CD1 4.32Å; L868-N870 HydrophobicContact CD2-CB 4.4Å; L868-L874 CarbonylContact O-C 3.49Å; L868-L874 WeakPolarHBondContact O-CA 3.39Å; L868-I875 HydrophobicContact CB-CB 4.32Å; L868-I875 HydrophobicContact CD2-CD1 4.31Å; L868-I875 PolarHBondContact N-O 3.02Å; L868-I875 PolarHBondContact O-N 3.49Å; L868-F948 HydrophobicContact CB-CE2 4.06Å; L868-F948 HydrophobicContact CD1-CE2 4.03Å; L868-F951 HydrophobicContact CD1-CB 3.44Å; L868-F951 VanDerWaalsContact CD1-CB 3.44Å; L868-F951 HydrophobicContact CD1-CG 4.39Å; L868-F951 HydrophobicContact CD2-CB 3.85Å; L868-F951 HydrophobicContact CD2-CD1 4.29Å; L868-F951 HydrophobicContact CD2-CD2 4.42Å; L868-F951 HydrophobicContact CD2-CG 3.93Å; L868-F951 HydrophobicContact CG-CB 4.31Å; L868-M952 HydrophobicContact CD1-CE 3.39Å
869	D	95.9	Very high	95.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	113.6	175.7	-178.5	6.1	0	0	0	109.9	C826 P830 H831 Y833 G871 L874 V925 R929	C826-D869 PolarHBondContact SG-O 3Å; P830-D869 WeakPolarHBondContact CA-O 3.1Å; H831-D869 PolarHBondContact N-O 3.24Å; H831-D869 PolarHBondContact O-N 3.45Å; Y833-D869 HydrophobicContact CE2-CB 4.16Å; D869-G871 WeakPolarHBondContact OD1-CA 3Å; D869-G871 PolarHBondContact OD1-N 3.3Å; D869-L874 HydrophobicContact CB-CD2 3.56Å; D869-V925 WeakPolarHBondContact OD2-CG1 3.16Å; D869-R929 VanDerWaalsContact CG-NH2 3.27Å; D869-R929 IonicContact OD1-CZ 2.79Å; D869-R929 IonicContact OD1-NE 3.67Å; D869-R929 PolarHBondContact OD1-NE 3.01Å; D869-R929 IonicContact OD1-NH2 2.79Å; D869-R929 IonicContact OD2-CZ 2.75Å; D869-R929 IonicContact OD2-NE 2.9Å; D869-R929 PolarHBondContact OD2-NE 3.05Å; D869-R929 IonicContact OD2-NH2 2.84Å; D869-R929 PolarHBondContact OD2-NH2 3.11Å
870	N	94	Very high	95.2	Very high	4 Å²	4	20 Å²	20	2%	0.021	11%	0.106	C	C	.	.			trans	-105.3	11.7	173.9	79.1	-21.9	0	0	0	112.8	C826 Y827 P830 L868 I872 Y873 F951	C826-N870 CarbonylContact O-C 3.53Å; C826-N870 WeakPolarHBondContact O-CA 3.47Å; Y827-N870 WeakPolarHBondContact CA-O 3.34Å; P830-N870 HydrophobicContact CB-CB 3.93Å; P830-N870 HydrophobicContact CG-CB 3.86Å; L868-N870 HydrophobicContact CD2-CB 4.4Å; N870-I872 PolarHBondContact O-N 3.18Å; N870-I872 WeakPolarHBondContact OD1-CA 3.35Å; N870-I872 PolarHBondContact OD1-N 3.1Å; N870-Y873 PolarHBondContact N-O 3.42Å; N870-Y873 PolarHBondContact OD1-N 2.84Å; N870-Y873 PolarHBondContact OD1-O 3.1Å; N870-F951 HydrophobicContact CB-CD1 4.39Å; N870-F951 VanDerWaalsContact ND2-CE1 3.25Å; N870-F951 WeakPolarHBondContact ND2-CE1 3.35Å
871	G	91.9	Very high	95.1	Very high	8 Å²	8	24.9 Å²	24.9	8%	0.082	13%	0.132	C	C	.	.	S	Bend	trans	78.8	-5.1	-176	0	0	0	0	0	115.5	D869 H931	D869-G871 WeakPolarHBondContact OD1-CA 3Å; D869-G871 PolarHBondContact OD1-N 3.3Å; G871-H931 PolarHBondContact O-CE1 2.94Å
872	I	92.1	Very high	95	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.021	11%	0.112	C	C	.	.	S	Bend	trans	-117.2	-46.8	173	-59.1	178.6	0	0	0	110.6	W811 L815 M819 Y827 N870 H931	W811-I872 HydrophobicContact CH2-CG2 3.51Å; W811-I872 HydrophobicContact CZ2-CG2 4.47Å; W811-I872 HydrophobicContact CZ3-CG2 3.93Å; L815-I872 HydrophobicContact CD1-CD1 3.68Å; L815-I872 HydrophobicContact CD1-CG1 4.17Å; M819-I872 HydrophobicContact CE-CD1 4.31Å; Y827-I872 HydrophobicContact CD2-CD1 3.59Å; Y827-I872 HydrophobicContact CD2-CG1 4.25Å; Y827-I872 HydrophobicContact CE2-CD1 3.48Å; Y827-I872 VanDerWaalsContact CE2-CD1 3.48Å; N870-I872 PolarHBondContact O-N 3.18Å; N870-I872 WeakPolarHBondContact OD1-CA 3.35Å; N870-I872 PolarHBondContact OD1-N 3.1Å; I872-H931 PolarHBondContact O-CE1 3.3Å; I872-H931 VanDerWaalsContact O-CE1 3.32Å; I872-H931 PolarHBondContact O-NE2 3.01Å
873	Y	91.8	Very high	95	Very high	36 Å²	36	20.4 Å²	20.4	14%	0.141	12%	0.117	C	C	.	.			trans	-117.7	146.8	-177.4	-52.1	-66.6	0	0	0	110.4	W811 N870 W947 F951	W811-Y873 HydrophobicContact CZ3-CE1 4.48Å; N870-Y873 PolarHBondContact N-O 3.42Å; N870-Y873 PolarHBondContact OD1-N 2.84Å; N870-Y873 PolarHBondContact OD1-O 3.1Å; Y873-W947 AromaticContact CD1-CH2 3.93Å; Y873-W947 HydrophobicContact CD1-CH2 3.93Å; Y873-W947 AromaticContact CD2-CH2 3.63Å; Y873-W947 HydrophobicContact CD2-CH2 3.63Å; Y873-W947 AromaticContact CD2-CZ2 3.79Å; Y873-W947 HydrophobicContact CD2-CZ2 3.79Å; Y873-W947 HydrophobicContact CE1-CH2 4.06Å; Y873-W947 HydrophobicContact CE1-CZ2 4.35Å; Y873-W947 AromaticContact CE2-CH2 3.78Å; Y873-W947 HydrophobicContact CE2-CH2 3.78Å; Y873-W947 AromaticContact CE2-CZ2 3.52Å; Y873-W947 HydrophobicContact CE2-CZ2 3.52Å; Y873-W947 AromaticContact CG-CH2 3.7Å; Y873-W947 HydrophobicContact CG-CH2 3.7Å; Y873-W947 HydrophobicContact CG-CZ2 4.31Å; Y873-W947 AromaticContact CZ-CH2 3.97Å; Y873-W947 AromaticContact CZ-CZ2 3.81Å; Y873-F951 HydrophobicContact CD2-CE1 4.46Å; Y873-F951 AromaticContact CD2-CZ 3.97Å; Y873-F951 HydrophobicContact CD2-CZ 3.97Å; Y873-F951 HydrophobicContact CE2-CZ 4.33Å
874	L	95.2	Very high	94.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.3	162.8	-71.6	171.9	0	0	0	108.4	L867 L868 D869 L922 V925 R926 R934 L935 L936	L867-L874 HydrophobicContact CD1-CB 4.29Å; L867-L874 HydrophobicContact CD1-CD2 4.34Å; L868-L874 CarbonylContact O-C 3.49Å; L868-L874 WeakPolarHBondContact O-CA 3.39Å; D869-L874 HydrophobicContact CB-CD2 3.56Å; L874-L922 HydrophobicContact CD1-CD2 4.18Å; L874-V925 HydrophobicContact CD1-CG1 4.22Å; L874-V925 HydrophobicContact CD2-CG1 3.68Å; L874-R926 HydrophobicContact CD1-CG 3.95Å; L874-R934 PolarHBondContact N-O 3Å; L874-R934 VanDerWaalsContact N-O 3.16Å; L874-L935 HydrophobicContact CB-CD1 4.09Å; L874-L935 CarbonylContact O-C 3.17Å; L874-L935 WeakPolarHBondContact O-CA 3.4Å; L874-L936 PolarHBondContact O-N 3.47Å
875	I	96.4	Very high	94.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.3	-178.8	-54.4	172.8	0	0	0	109	L867 L868 L936 V938 W947 F948 F951	L867-I875 CarbonylContact C-O 3.57Å; L867-I875 WeakPolarHBondContact CA-O 3.41Å; L868-I875 HydrophobicContact CB-CB 4.32Å; L868-I875 HydrophobicContact CD2-CD1 4.31Å; L868-I875 PolarHBondContact N-O 3.02Å; L868-I875 PolarHBondContact O-N 3.49Å; I875-L936 CarbonylContact C-O 3.54Å; I875-L936 WeakPolarHBondContact CA-O 3.44Å; I875-L936 HydrophobicContact CG1-CB 4.31Å; I875-L936 HydrophobicContact CG1-CD1 4.49Å; I875-V938 HydrophobicContact CG2-CB 4.25Å; I875-V938 HydrophobicContact CG2-CG2 3.54Å; I875-W947 HydrophobicContact CD1-CE3 4.02Å; I875-W947 HydrophobicContact CD1-CH2 4.15Å; I875-W947 HydrophobicContact CD1-CZ3 3.54Å; I875-W947 HydrophobicContact CG1-CZ3 4.16Å; I875-F948 HydrophobicContact CB-CD2 4.25Å; I875-F948 HydrophobicContact CD1-CD2 4.48Å; I875-F948 HydrophobicContact CG2-CB 4.44Å; I875-F948 HydrophobicContact CG2-CD2 3.62Å; I875-F948 HydrophobicContact CG2-CE2 4.33Å; I875-F948 HydrophobicContact CG2-CG 4.38Å; I875-F951 HydrophobicContact CD1-CD2 3.67Å; I875-F951 HydrophobicContact CD1-CE2 3.53Å; I875-F951 HydrophobicContact CD1-CZ 4.37Å
876	M	96.8	Very high	94.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	106.6	173.4	-178.5	170.3	-61.2	0	0	109.3	I835 Y866 I878 W886 F891 L907 L918 L935 L936 V937 V938	I835-M876 HydrophobicContact CD1-CE 3.69Å; I835-M876 HydrophobicContact CD1-CG 3.87Å; I835-M876 HydrophobicContact CD1-SD 3.99Å; Y866-M876 CarbonylContact O-C 3.44Å; Y866-M876 WeakPolarHBondContact O-CA 3.46Å; M876-I878 HydrophobicContact CG-CG1 4.36Å; M876-W886 HydrophobicContact SD-CH2 4.24Å; M876-F891 HydrophobicContact SD-CZ 4.07Å; M876-L907 HydrophobicContact CE-CD1 3.91Å; M876-L918 HydrophobicContact CE-CD1 4.03Å; M876-L918 HydrophobicContact CE-CD2 3.75Å; M876-L918 HydrophobicContact CE-CG 4.1Å; M876-L918 HydrophobicContact SD-CD2 4.32Å; M876-L935 HydrophobicContact CB-CD1 3.94Å; M876-L935 HydrophobicContact CE-CD1 4.29Å; M876-L935 HydrophobicContact CE-CD2 4.18Å; M876-L936 PolarHBondContact N-O 3.29Å; M876-V937 HydrophobicContact CB-CG2 4.44Å; M876-V937 CarbonylContact O-C 3.38Å; M876-V937 WeakPolarHBondContact O-CA 3.41Å; M876-V938 PolarHBondContact O-N 3.32Å
877	W	96.4	Very high	94.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.3	173.8	-176.1	93	0	0	0	110	L860 M862 A865 Y866 G879 V938 P940 F948	L860-W877 HydrophobicContact CB-CH2 4.23Å; L860-W877 HydrophobicContact CB-CZ3 4.3Å; L860-W877 HydrophobicContact CD1-CD2 4.37Å; L860-W877 HydrophobicContact CD1-CH2 4.49Å; L860-W877 HydrophobicContact CD1-CZ2 4.35Å; M862-W877 HydrophobicContact CE-CH2 3.97Å; M862-W877 HydrophobicContact CE-CZ2 4.47Å; M862-W877 HydrophobicContact SD-CH2 4.28Å; A865-W877 WeakPolarHBondContact CA-O 3.44Å; Y866-W877 AromaticContact CD2-CE3 3.7Å; Y866-W877 HydrophobicContact CD2-CE3 3.7Å; Y866-W877 AromaticContact CD2-CZ3 3.91Å; Y866-W877 HydrophobicContact CD2-CZ3 3.91Å; Y866-W877 HydrophobicContact CE2-CE3 4.25Å; Y866-W877 AromaticContact CE2-CZ3 3.99Å; Y866-W877 HydrophobicContact CE2-CZ3 3.99Å; Y866-W877 PolarHBondContact N-O 3.31Å; Y866-W877 PolarHBondContact O-N 2.94Å; W877-G879 VanDerWaalsContact CH2-CA 3.48Å; W877-V938 WeakPolarHBondContact CA-O 3.28Å; W877-P940 HydrophobicContact CZ2-CG 4.16Å; W877-F948 HydrophobicContact CB-CD1 4.42Å; W877-F948 HydrophobicContact CB-CD2 4.4Å; W877-F948 HydrophobicContact CB-CE1 3.89Å; W877-F948 HydrophobicContact CB-CE2 3.87Å; W877-F948 HydrophobicContact CB-CZ 3.58Å; W877-F948 AromaticContact CD1-CD1 3.46Å; W877-F948 VanDerWaalsContact CD1-CD1 3.46Å; W877-F948 AromaticContact CD1-CE1 3.37Å; W877-F948 HydrophobicContact CD2-CE1 4.31Å; W877-F948 HydrophobicContact CG-CD1 4.1Å; W877-F948 AromaticContact CG-CE1 3.6Å; W877-F948 HydrophobicContact CG-CE1 3.6Å; W877-F948 HydrophobicContact CG-CE2 4.47Å; W877-F948 AromaticContact CG-CZ 3.8Å; W877-F948 HydrophobicContact CG-CZ 3.8Å; W877-F948 AromaticContact NE1-CE1 3.93Å
878	I	95.4	Very high	94.5	Very high	3 Å²	3	30 Å²	30	2%	0.015	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.6	-177.7	-55.4	174.6	0	0	0	108.7	M876 I882 F891 F899 V937 V938 P940	M876-I878 HydrophobicContact CG-CG1 4.36Å; I878-I882 HydrophobicContact CG2-CG2 3.62Å; I878-F891 HydrophobicContact CD1-CE2 3.47Å; I878-F891 VanDerWaalsContact CD1-CE2 3.47Å; I878-F891 HydrophobicContact CD1-CZ 3.6Å; I878-F899 HydrophobicContact CD1-CZ 3.96Å; I878-V937 HydrophobicContact CD1-CG1 3.47Å; I878-V937 VanDerWaalsContact CD1-CG1 3.47Å; I878-V937 HydrophobicContact CG1-CG1 4.22Å; I878-V938 PolarHBondContact N-O 3.16Å; I878-P940 WeakPolarHBondContact O-CD 3.41Å
879	G	94.6	Very high	94.4	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.021	17%	0.174	C	C	.	.			trans	-62.8	147.5	178.7	0	0	0	0	0	112.8	M862 A864 W877 N881 I882	M862-G879 CarbonylContact O-C 3.57Å; M862-G879 VanDerWaalsContact O-CA 3.3Å; M862-G879 WeakPolarHBondContact O-CA 3.39Å; A864-G879 VanDerWaalsContact O-CA 3.26Å; A864-G879 WeakPolarHBondContact O-CA 3.38Å; A864-G879 PolarHBondContact O-N 3.03Å; W877-G879 VanDerWaalsContact CH2-CA 3.48Å; G879-N881 PolarHBondContact O-N 2.79Å; G879-I882 WeakPolarHBondContact O-CG2 3.42Å; G879-I882 PolarHBondContact O-N 2.66Å
880	P	92.4	Very high	94.4	Very high	73 Å²	73	30.7 Å²	30.7	47%	0.474	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.9	-174.5	25.6	-31	0	0	0	113.5	M862 P940	M862-P880 HydrophobicContact CB-CG 4.11Å; M862-P880 WeakPolarHBondContact O-CD 3.36Å; M862-P880 VanDerWaalsContact O-N 3.17Å; M862-P880 HydrophobicContact SD-CG 4.12Å; P880-P940 HydrophobicContact CB-CB 4.47Å; P880-P940 HydrophobicContact CB-CG 3.94Å; P880-P940 HydrophobicContact CG-CG 3.98Å
881	N	94	Very high	94.4	Very high	114 Å²	114	31.7 Å²	31.7	61%	0.61	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109	13.3	-176.4	-57.9	-24.2	0	0	0	112.6	M862 D863 G879	M862-N881 WeakPolarHBondContact O-CA 3.5Å; M862-N881 WeakPolarHBondContact O-CB 3.36Å; M862-N881 PolarHBondContact O-N 3.45Å; D863-N881 HydrophobicContact CB-CB 4.19Å; G879-N881 PolarHBondContact O-N 2.79Å
882	I	93.7	Very high	94.5	Very high	15 Å²	15	35.9 Å²	35.9	8%	0.077	20%	0.199	C	C	.	.			trans	-61.3	146.8	177.6	-164.8	166.8	0	0	0	110.2	H836 A865 I878 G879 S884 W886 I887	H836-I882 HydrophobicContact CB-CD1 4.38Å; A865-I882 HydrophobicContact CB-CD1 3.48Å; A865-I882 VanDerWaalsContact CB-CD1 3.48Å; I878-I882 HydrophobicContact CG2-CG2 3.62Å; G879-I882 WeakPolarHBondContact O-CG2 3.42Å; G879-I882 PolarHBondContact O-N 2.66Å; I882-S884 PolarHBondContact O-N 2.89Å; I882-W886 HydrophobicContact CD1-CB 4.41Å; I882-W886 HydrophobicContact CD1-CD2 3.6Å; I882-W886 HydrophobicContact CD1-CE3 3.43Å; I882-W886 VanDerWaalsContact CD1-CE3 3.43Å; I882-W886 HydrophobicContact CD1-CG 4.03Å; I882-W886 HydrophobicContact CD1-CH2 4.45Å; I882-W886 HydrophobicContact CD1-CZ3 3.89Å; I882-W886 HydrophobicContact CG1-CB 4.28Å; I882-W886 HydrophobicContact CG1-CD2 4.4Å; I882-W886 HydrophobicContact CG1-CE3 4.3Å; I882-W886 HydrophobicContact CG1-CG 4.41Å; I882-I887 HydrophobicContact CG2-CD1 3.56Å; I882-I887 HydrophobicContact CG2-CG1 3.69Å
883	S	94	Very high	94.6	Very high	64 Å²	64	37.3 Å²	37.3	45%	0.448	21%	0.207	S	C	.	.			trans	-61	139	-176.1	72.4	0	0	0	0	111.8	E885 W886 I887	S883-E885 PolarHBondContact O-N 2.91Å; S883-W886 PolarHBondContact O-N 3.35Å; S883-W886 VanDerWaalsContact O-N 3.11Å; S883-W886 WeakPolarHBondContact OG-CB 3.34Å; S883-W886 PolarHBondContact OG-N 3.44Å; S883-I887 PolarHBondContact O-N 3.13Å
884	S	93	Very high	94.3	Very high	82 Å²	82	42.8 Å²	42.8	57%	0.573	23%	0.234	S	C	*	.	H	α-helix	trans	-61.3	-26.9	174.8	53.7	0	0	0	0	112.3	I882 I887 Q888	I882-S884 PolarHBondContact O-N 2.89Å; S884-I887 PolarHBondContact O-N 2.81Å; S884-Q888 VanDerWaalsContact O-CB 3.32Å; S884-Q888 WeakPolarHBondContact O-CB 3.45Å; S884-Q888 PolarHBondContact O-N 2.63Å
885	E	94.4	Very high	93.7	Very high	147 Å²	147	45.7 Å²	45.7	69%	0.687	25%	0.25	S	C	*	.	H	α-helix	trans	-61.2	-46.4	172.5	-176.7	176.5	-173.2	0	0	111.9	S883 I887 Q888 A889	S883-E885 PolarHBondContact O-N 2.91Å; E885-I887 PolarHBondContact O-N 2.76Å; E885-Q888 PolarHBondContact O-N 2.89Å; E885-A889 WeakPolarHBondContact O-CB 3.43Å; E885-A889 PolarHBondContact O-N 2.63Å
886	W	95.2	Very high	92.9	Very high	8 Å²	8	47.3 Å²	47.3	3%	0.03	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-41.2	177.6	-171.6	98.5	0	0	0	111.3	I835 A865 M876 I882 S883 A889 V890 F891 I914 L918	I835-W886 HydrophobicContact CD1-CH2 4.28Å; I835-W886 HydrophobicContact CD1-CZ2 4.12Å; I835-W886 HydrophobicContact CG1-CZ2 4.32Å; A865-W886 HydrophobicContact CB-CH2 3.64Å; A865-W886 HydrophobicContact CB-CZ2 3.79Å; A865-W886 HydrophobicContact CB-CZ3 4.13Å; M876-W886 HydrophobicContact SD-CH2 4.24Å; I882-W886 HydrophobicContact CD1-CB 4.41Å; I882-W886 HydrophobicContact CD1-CD2 3.6Å; I882-W886 HydrophobicContact CD1-CE3 3.43Å; I882-W886 VanDerWaalsContact CD1-CE3 3.43Å; I882-W886 HydrophobicContact CD1-CG 4.03Å; I882-W886 HydrophobicContact CD1-CH2 4.45Å; I882-W886 HydrophobicContact CD1-CZ3 3.89Å; I882-W886 HydrophobicContact CG1-CB 4.28Å; I882-W886 HydrophobicContact CG1-CD2 4.4Å; I882-W886 HydrophobicContact CG1-CE3 4.3Å; I882-W886 HydrophobicContact CG1-CG 4.41Å; S883-W886 PolarHBondContact O-N 3.35Å; S883-W886 VanDerWaalsContact O-N 3.11Å; S883-W886 WeakPolarHBondContact OG-CB 3.34Å; S883-W886 PolarHBondContact OG-N 3.44Å; W886-A889 PolarHBondContact O-N 2.69Å; W886-V890 HydrophobicContact CD2-CG2 3.85Å; W886-V890 HydrophobicContact CE3-CB 4.31Å; W886-V890 HydrophobicContact CE3-CG2 4.02Å; W886-V890 HydrophobicContact CH2-CB 4.27Å; W886-V890 HydrophobicContact CH2-CG1 4.15Å; W886-V890 HydrophobicContact CH2-CG2 3.88Å; W886-V890 HydrophobicContact CZ2-CG2 3.7Å; W886-V890 HydrophobicContact CZ3-CB 4.14Å; W886-V890 HydrophobicContact CZ3-CG1 4.33Å; W886-V890 HydrophobicContact CZ3-CG2 4.04Å; W886-V890 WeakPolarHBondContact O-CG2 3.5Å; W886-V890 PolarHBondContact O-N 3.5Å; W886-F891 AromaticContact CZ3-CE2 3.89Å; W886-F891 HydrophobicContact CZ3-CE2 3.89Å; W886-I914 HydrophobicContact CG-CG2 4.44Å; W886-L918 HydrophobicContact CH2-CD2 4.3Å; W886-L918 HydrophobicContact CZ2-CD2 3.96Å
887	I	94.7	Very high	92.3	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-63.2	-44.8	177.3	-59.3	-179.5	0	0	0	110.9	I882 S883 S884 E885 A889 V890 F891 V893 P896 F899	I882-I887 HydrophobicContact CG2-CD1 3.56Å; I882-I887 HydrophobicContact CG2-CG1 3.69Å; S883-I887 PolarHBondContact O-N 3.13Å; S884-I887 PolarHBondContact O-N 2.81Å; E885-I887 PolarHBondContact O-N 2.76Å; I887-A889 VanDerWaalsContact C-N 3.31Å; I887-A889 PolarHBondContact O-N 3.44Å; I887-V890 PolarHBondContact O-N 2.79Å; I887-F891 HydrophobicContact CG2-CD2 4.17Å; I887-F891 WeakPolarHBondContact O-CB 3.38Å; I887-F891 PolarHBondContact O-N 3.46Å; I887-V893 CarbonylContact C-O 3.55Å; I887-V893 HydrophobicContact CG2-CG2 4.2Å; I887-P896 HydrophobicContact CD1-CB 4.09Å; I887-P896 VanDerWaalsContact CD1-CD 3.42Å; I887-P896 HydrophobicContact CD1-CG 3.62Å; I887-F899 HydrophobicContact CG2-CE1 4.5Å
888	Q	95.4	Very high	91.9	Very high	65 Å²	65	60.8 Å²	60.8	30%	0.304	32%	0.323	S	S	.	.	H	α-helix	trans	-62.7	-39.9	175.6	-176.5	65.7	48.5	0	0	111.1	S884 E885 N892 V893 Q894	S884-Q888 VanDerWaalsContact O-CB 3.32Å; S884-Q888 WeakPolarHBondContact O-CB 3.45Å; S884-Q888 PolarHBondContact O-N 2.63Å; E885-Q888 PolarHBondContact O-N 2.89Å; Q888-N892 VanDerWaalsContact NE2-C 3.27Å; Q888-N892 PolarHBondContact NE2-O 3.22Å; Q888-N892 PolarHBondContact NE2-OD1 2.85Å; Q888-N892 WeakPolarHBondContact O-CA 3.48Å; Q888-N892 PolarHBondContact O-N 2.99Å; Q888-V893 VanDerWaalsContact CA-O 3.25Å; Q888-V893 WeakPolarHBondContact CA-O 3.34Å; Q888-V893 PolarHBondContact N-O 3.02Å; Q888-V893 PolarHBondContact OE1-O 2.82Å; Q888-Q894 VanDerWaalsContact OE1-N 3.16Å
889	A	95.2	Very high	91.5	Very high	14 Å²	14	61.9 Å²	61.9	12%	0.116	33%	0.328	C	S	.	.	H	α-helix	trans	-66	-40.5	178.6	0	0	0	0	0	112.6	E885 W886 I887 N912 I914 S915	E885-A889 WeakPolarHBondContact O-CB 3.43Å; E885-A889 PolarHBondContact O-N 2.63Å; W886-A889 PolarHBondContact O-N 2.69Å; I887-A889 VanDerWaalsContact C-N 3.31Å; I887-A889 PolarHBondContact O-N 3.44Å; A889-N912 PolarHBondContact O-ND2 2.64Å; A889-I914 HydrophobicContact CB-CB 4.03Å; A889-I914 HydrophobicContact CB-CD1 3.89Å; A889-I914 HydrophobicContact CB-CG1 4.45Å; A889-I914 HydrophobicContact CB-CG2 4.37Å; A889-S915 WeakPolarHBondContact O-CB 3.45Å
890	V	95.5	Very high	91.2	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.006	35%	0.354	C	S	.	.	H	α-helix	trans	-87.9	-38.2	-174.5	175.4	0	0	0	0	113.5	W886 I887 L907 F910 I914 L918	W886-V890 HydrophobicContact CD2-CG2 3.85Å; W886-V890 HydrophobicContact CE3-CB 4.31Å; W886-V890 HydrophobicContact CE3-CG2 4.02Å; W886-V890 HydrophobicContact CH2-CB 4.27Å; W886-V890 HydrophobicContact CH2-CG1 4.15Å; W886-V890 HydrophobicContact CH2-CG2 3.88Å; W886-V890 HydrophobicContact CZ2-CG2 3.7Å; W886-V890 HydrophobicContact CZ3-CB 4.14Å; W886-V890 HydrophobicContact CZ3-CG1 4.33Å; W886-V890 HydrophobicContact CZ3-CG2 4.04Å; W886-V890 WeakPolarHBondContact O-CG2 3.5Å; W886-V890 PolarHBondContact O-N 3.5Å; I887-V890 PolarHBondContact O-N 2.79Å; V890-L907 HydrophobicContact CG1-CD1 4.05Å; V890-L907 HydrophobicContact CG1-CD2 4.12Å; V890-F910 WeakPolarHBondContact O-CD2 3.45Å; V890-F910 VanDerWaalsContact O-CE2 3.25Å; V890-F910 WeakPolarHBondContact O-CE2 3.34Å; V890-I914 HydrophobicContact CG2-CG2 3.7Å; V890-L918 HydrophobicContact CG1-CD2 3.88Å; V890-L918 HydrophobicContact CG2-CD2 3.98Å
891	F	95	Very high	91.1	Very high	24 Å²	24	64.3 Å²	64.3	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-114.5	-4.7	-173.6	-60.1	-73	0	0	0	113.9	M876 I878 W886 I887 V893 F899 I904 L907 V937	M876-F891 HydrophobicContact SD-CZ 4.07Å; I878-F891 HydrophobicContact CD1-CE2 3.47Å; I878-F891 VanDerWaalsContact CD1-CE2 3.47Å; I878-F891 HydrophobicContact CD1-CZ 3.6Å; W886-F891 AromaticContact CZ3-CE2 3.89Å; W886-F891 HydrophobicContact CZ3-CE2 3.89Å; I887-F891 HydrophobicContact CG2-CD2 4.17Å; I887-F891 WeakPolarHBondContact O-CB 3.38Å; I887-F891 PolarHBondContact O-N 3.46Å; F891-V893 HydrophobicContact CB-CG2 4.01Å; F891-V893 PolarHBondContact O-N 2.88Å; F891-F899 HydrophobicContact CB-CD1 4.05Å; F891-F899 HydrophobicContact CB-CE1 4.03Å; F891-F899 HydrophobicContact CD1-CD1 4.41Å; F891-F899 HydrophobicContact CD1-CE1 4.14Å; F891-F899 HydrophobicContact CD1-CZ 4.34Å; F891-F899 AromaticContact CD2-CE1 3.73Å; F891-F899 HydrophobicContact CD2-CE1 3.73Å; F891-F899 HydrophobicContact CD2-CZ 4.11Å; F891-F899 HydrophobicContact CE1-CZ 4.38Å; F891-F899 HydrophobicContact CE2-CE1 4.23Å; F891-F899 HydrophobicContact CE2-CZ 4.13Å; F891-F899 HydrophobicContact CG-CD1 4.09Å; F891-F899 AromaticContact CG-CE1 3.69Å; F891-F899 HydrophobicContact CG-CE1 3.69Å; F891-F899 HydrophobicContact CG-CZ 4.21Å; F891-F899 HydrophobicContact CZ-CZ 4.28Å; F891-I904 HydrophobicContact CD1-CD1 3.8Å; F891-I904 HydrophobicContact CE1-CD1 3.71Å; F891-L907 HydrophobicContact CD1-CD2 4.42Å; F891-L907 HydrophobicContact CE1-CD2 3.75Å; F891-L907 HydrophobicContact CZ-CD2 4.35Å; F891-V937 HydrophobicContact CE1-CG2 4.24Å; F891-V937 HydrophobicContact CZ-CG1 4.24Å; F891-V937 HydrophobicContact CZ-CG2 4.41Å
892	N	94.3	Very high	90.7	Very high	97 Å²	97	65 Å²	65	52%	0.519	33%	0.332	S	S	.	.	S	Bend	trans	56.3	31.4	-176	-162.5	36.2	0	0	0	113.9	Q888 F910	Q888-N892 VanDerWaalsContact NE2-C 3.27Å; Q888-N892 PolarHBondContact NE2-O 3.22Å; Q888-N892 PolarHBondContact NE2-OD1 2.85Å; Q888-N892 WeakPolarHBondContact O-CA 3.48Å; Q888-N892 PolarHBondContact O-N 2.99Å; N892-F910 HydrophobicContact CB-CD1 4.25Å; N892-F910 HydrophobicContact CB-CD2 4.3Å; N892-F910 HydrophobicContact CB-CE1 3.75Å; N892-F910 HydrophobicContact CB-CE2 3.8Å; N892-F910 HydrophobicContact CB-CZ 3.5Å; N892-F910 VanDerWaalsContact CB-CZ 3.5Å
893	V	92.8	Very high	90.5	Very high	34 Å²	34	69.3 Å²	69.3	21%	0.206	35%	0.351	C	S	.	.			trans	-133.4	153	172.9	-58.8	0	0	0	0	111.3	I887 Q888 F891 N895 H898 F899	I887-V893 CarbonylContact C-O 3.55Å; I887-V893 HydrophobicContact CG2-CG2 4.2Å; Q888-V893 VanDerWaalsContact CA-O 3.25Å; Q888-V893 WeakPolarHBondContact CA-O 3.34Å; Q888-V893 PolarHBondContact N-O 3.02Å; Q888-V893 PolarHBondContact OE1-O 2.82Å; F891-V893 HydrophobicContact CB-CG2 4.01Å; F891-V893 PolarHBondContact O-N 2.88Å; V893-N895 WeakPolarHBondContact CG2-O 3.41Å; V893-H898 HydrophobicContact CB-CB 4.11Å; V893-H898 HydrophobicContact CG1-CB 4.26Å; V893-H898 HydrophobicContact CG2-CB 4.33Å; V893-F899 HydrophobicContact CG2-CD1 3.67Å; V893-F899 HydrophobicContact CG2-CE1 4.23Å
894	Q	85	Confident	90.3	Very high	150 Å²	150	67.5 Å²	67.5	70%	0.701	34%	0.336	S	S	*	.	S	Bend	trans	-78.9	-28.1	-176.6	-65.9	-172.4	-11.3	0	0	114.3	Q888	Q888-Q894 VanDerWaalsContact OE1-N 3.16Å
895	N	84.4	Confident	90.1	Very high	61 Å²	61	65.3 Å²	65.3	33%	0.326	32%	0.315	S	S	.	.	S	Bend	trans	-132.7	135.4	-176.5	-175.3	-36.7	0	0	0	109.3	V893 E897 H898	V893-N895 WeakPolarHBondContact CG2-O 3.41Å; N895-E897 PolarHBondContact O-N 3.43Å; N895-E897 VanDerWaalsContact O-N 3.14Å; N895-E897 WeakPolarHBondContact OD1-CB 3.4Å; N895-E897 WeakPolarHBondContact OD1-CG 3.45Å; N895-E897 PolarHBondContact OD1-N 2.7Å; N895-H898 WeakPolarHBondContact O-CB 3.49Å; N895-H898 PolarHBondContact O-N 3.31Å
896	P	79.8	Confident	90	Very high	35 Å²	35	61 Å²	61	23%	0.227	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-62.2	-18	179.6	20.8	-28	0	0	0	113.9	I887 H898 F899 R939	I887-P896 HydrophobicContact CD1-CB 4.09Å; I887-P896 VanDerWaalsContact CD1-CD 3.42Å; I887-P896 HydrophobicContact CD1-CG 3.62Å; P896-H898 PolarHBondContact O-N 3.34Å; P896-F899 HydrophobicContact CB-CE1 4.01Å; P896-F899 HydrophobicContact CB-CZ 4.12Å; P896-R939 PolarHBondContact O-NH1 3.5Å
897	E	84	Confident	89.8	Confident	155 Å²	155	61.5 Å²	61.5	72%	0.724	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-67.5	-18.8	172.1	-67.6	-175.8	171.3	0	0	113.6	N895 F899	N895-E897 PolarHBondContact O-N 3.43Å; N895-E897 VanDerWaalsContact O-N 3.14Å; N895-E897 WeakPolarHBondContact OD1-CB 3.4Å; N895-E897 WeakPolarHBondContact OD1-CG 3.45Å; N895-E897 PolarHBondContact OD1-N 2.7Å; E897-F899 VanDerWaalsContact C-N 3.27Å; E897-F899 PolarHBondContact O-N 3.36Å
898	H	86.7	Confident	89.7	Confident	128 Å²	128	65 Å²	65	59%	0.593	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-80.3	-3.9	-176.7	-63.4	169.1	0	0	0	114.2	V893 N895 P896	V893-H898 HydrophobicContact CB-CB 4.11Å; V893-H898 HydrophobicContact CG1-CB 4.26Å; V893-H898 HydrophobicContact CG2-CB 4.33Å; N895-H898 WeakPolarHBondContact O-CB 3.49Å; N895-H898 PolarHBondContact O-N 3.31Å; P896-H898 PolarHBondContact O-N 3.34Å
899	F	87.5	Confident	89.6	Confident	26 Å²	26	66.5 Å²	66.5	11%	0.114	33%	0.334	C	S	.	.	S	Bend	trans	-122.8	150.6	171.5	65.6	-104.8	0	0	0	112	I878 I887 F891 V893 P896 E897 S901 I904 V937 R939	I878-F899 HydrophobicContact CD1-CZ 3.96Å; I887-F899 HydrophobicContact CG2-CE1 4.5Å; F891-F899 HydrophobicContact CB-CD1 4.05Å; F891-F899 HydrophobicContact CB-CE1 4.03Å; F891-F899 HydrophobicContact CD1-CD1 4.41Å; F891-F899 HydrophobicContact CD1-CE1 4.14Å; F891-F899 HydrophobicContact CD1-CZ 4.34Å; F891-F899 AromaticContact CD2-CE1 3.73Å; F891-F899 HydrophobicContact CD2-CE1 3.73Å; F891-F899 HydrophobicContact CD2-CZ 4.11Å; F891-F899 HydrophobicContact CE1-CZ 4.38Å; F891-F899 HydrophobicContact CE2-CE1 4.23Å; F891-F899 HydrophobicContact CE2-CZ 4.13Å; F891-F899 HydrophobicContact CG-CD1 4.09Å; F891-F899 AromaticContact CG-CE1 3.69Å; F891-F899 HydrophobicContact CG-CE1 3.69Å; F891-F899 HydrophobicContact CG-CZ 4.21Å; F891-F899 HydrophobicContact CZ-CZ 4.28Å; V893-F899 HydrophobicContact CG2-CD1 3.67Å; V893-F899 HydrophobicContact CG2-CE1 4.23Å; P896-F899 HydrophobicContact CB-CE1 4.01Å; P896-F899 HydrophobicContact CB-CZ 4.12Å; E897-F899 VanDerWaalsContact C-N 3.27Å; E897-F899 PolarHBondContact O-N 3.36Å; F899-S901 PolarHBondContact O-N 3.14Å; F899-I904 HydrophobicContact CB-CD1 4.44Å; F899-I904 HydrophobicContact CD2-CD1 3.43Å; F899-I904 VanDerWaalsContact CD2-CD1 3.43Å; F899-I904 HydrophobicContact CD2-CG1 4.47Å; F899-I904 HydrophobicContact CE2-CD1 3.76Å; F899-I904 HydrophobicContact CG-CD1 3.99Å; F899-V937 HydrophobicContact CE2-CG1 4.01Å; F899-V937 HydrophobicContact CZ-CG1 4.4Å; F899-R939 PolarHBondContact O-NH1 3Å; F899-R939 VanDerWaalsContact O-NH1 3.11Å
900	E	89.1	Confident	89.6	Confident	121 Å²	121	68.5 Å²	68.5	57%	0.565	34%	0.34	S	S	*	.			trans	-86.8	101.5	172.8	-64.8	179.3	-106.4	0	0	109.1	E902 K903	E900-E902 PolarHBondContact O-N 3.11Å; E900-K903 HydrophobicContact CB-CB 4.24Å; E900-K903 HydrophobicContact CB-CD 4.13Å; E900-K903 HydrophobicContact CB-CG 4.19Å; E900-K903 PolarHBondContact O-N 3.44Å; E900-K903 IonicContact OE1-NZ 2.71Å; E900-K903 PolarHBondContact OE1-NZ 2.82Å; E900-K903 WeakPolarHBondContact OE2-CE 3.33Å; E900-K903 IonicContact OE2-NZ 2.59Å; E900-K903 PolarHBondContact OE2-NZ 2.84Å
901	S	89.9	Confident	89.5	Confident	5 Å²	5	75.4 Å²	75.4	4%	0.035	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-55.3	-37.2	-174.8	53.6	0	0	0	0	113.2	F899 K903 I904 V937 D942	F899-S901 PolarHBondContact O-N 3.14Å; S901-K903 PolarHBondContact O-N 2.83Å; S901-I904 PolarHBondContact O-N 3.46Å; S901-V937 WeakPolarHBondContact CB-O 3.35Å; S901-D942 PolarHBondContact OG-OD2 3.4Å
902	E	86.2	Confident	89.5	Confident	127 Å²	127	76.2 Å²	76.2	59%	0.593	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-66	-21.4	179.1	-60.6	-176.8	175.8	0	0	114.1	E900 R934	E900-E902 PolarHBondContact O-N 3.11Å; E902-R934 PolarHBondContact O-NH2 3Å
903	K	88	Confident	89.4	Confident	107 Å²	107	78.2 Å²	78.2	47%	0.465	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-93.7	-2.1	179.3	-67.6	-175.1	-178.8	162.4	0	113.6	E900 S901 Y905	E900-K903 HydrophobicContact CB-CB 4.24Å; E900-K903 HydrophobicContact CB-CD 4.13Å; E900-K903 HydrophobicContact CB-CG 4.19Å; E900-K903 PolarHBondContact O-N 3.44Å; E900-K903 IonicContact OE1-NZ 2.71Å; E900-K903 PolarHBondContact OE1-NZ 2.82Å; E900-K903 WeakPolarHBondContact OE2-CE 3.33Å; E900-K903 IonicContact OE2-NZ 2.59Å; E900-K903 PolarHBondContact OE2-NZ 2.84Å; S901-K903 PolarHBondContact O-N 2.83Å; K903-Y905 WeakPolarHBondContact O-CD2 3.28Å; K903-Y905 PolarHBondContact O-N 3.43Å
904	I	90.8	Very high	89.4	Confident	26 Å²	26	79.5 Å²	79.5	13%	0.133	39%	0.394	C	S	.	.			trans	-86.4	107.3	175	-58.3	-179.6	0	0	0	108.6	F891 F899 S901 D906 L907 L935 V937	F891-I904 HydrophobicContact CD1-CD1 3.8Å; F891-I904 HydrophobicContact CE1-CD1 3.71Å; F899-I904 HydrophobicContact CB-CD1 4.44Å; F899-I904 HydrophobicContact CD2-CD1 3.43Å; F899-I904 VanDerWaalsContact CD2-CD1 3.43Å; F899-I904 HydrophobicContact CD2-CG1 4.47Å; F899-I904 HydrophobicContact CE2-CD1 3.76Å; F899-I904 HydrophobicContact CG-CD1 3.99Å; S901-I904 PolarHBondContact O-N 3.46Å; I904-D906 WeakPolarHBondContact CG2-O 3.36Å; I904-L907 HydrophobicContact CG2-CD2 4.47Å; I904-L935 VanDerWaalsContact O-O 3.05Å; I904-V937 HydrophobicContact CB-CB 4.43Å; I904-V937 HydrophobicContact CB-CG2 3.84Å; I904-V937 HydrophobicContact CD1-CB 4.48Å; I904-V937 HydrophobicContact CD1-CG2 4.13Å; I904-V937 HydrophobicContact CG2-CG2 3.65Å
905	Y	88.9	Confident	89.9	Confident	36 Å²	36	72.3 Å²	72.3	14%	0.141	36%	0.36	C	S	.	.	S	Bend	trans	-97.8	-23	176.4	-76.7	-99.3	0	0	0	112.8	L606 Q607 K903 R934 L935	L606-Y905 HydrophobicContact CB-CD2 3.77Å; L606-Y905 HydrophobicContact CB-CE2 3.64Å; L606-Y905 HydrophobicContact CB-CG 4.41Å; L606-Y905 HydrophobicContact CD1-CE2 3.93Å; L606-Y905 HydrophobicContact CD2-CD2 4.48Å; L606-Y905 HydrophobicContact CG-CE2 4.25Å; L606-Y905 WeakPolarHBondContact O-CB 3.12Å; Q607-Y905 HydrophobicContact CB-CE1 4.45Å; Q607-Y905 VanDerWaalsContact CD-CE1 3.4Å; Q607-Y905 HydrophobicContact CG-CD1 3.44Å; Q607-Y905 VanDerWaalsContact CG-CD1 3.44Å; Q607-Y905 HydrophobicContact CG-CE1 3.02Å; Q607-Y905 HydrophobicContact CG-CG 4.37Å; K903-Y905 WeakPolarHBondContact O-CD2 3.28Å; K903-Y905 PolarHBondContact O-N 3.43Å; Y905-R934 HydrophobicContact CD1-CG 3.94Å; Y905-R934 VanDerWaalsContact CD1-NE 3.3Å; Y905-R934 HydrophobicContact CE1-CG 4.43Å; Y905-R934 PolarHBondContact OH-NH1 3.13Å; Y905-R934 PolarHBondContact OH-NH2 2.93Å; Y905-L935 WeakPolarHBondContact O-CB 3.24Å; Y905-L935 PolarHBondContact O-N 3.26Å
906	D	90.9	Very high	90.3	Very high	57 Å²	57	74.1 Å²	74.1	31%	0.305	36%	0.363	S	S	.	.	S	Bend	trans	-156.1	164.6	174.6	-143.7	-9.1	0	0	0	111.3	I904 R926 Y932	I904-D906 WeakPolarHBondContact CG2-O 3.36Å; D906-R926 IonicContact OD1-CZ 3.84Å; D906-R926 IonicContact OD1-NH1 3.47Å; D906-R926 PolarHBondContact OD1-NH1 3.23Å; D906-R926 IonicContact OD1-NH2 2.74Å; D906-R926 PolarHBondContact OD1-NH2 2.94Å; D906-R926 IonicContact OD2-CZ 3.67Å; D906-R926 IonicContact OD2-NH1 3.26Å; D906-R926 PolarHBondContact OD2-NH1 3.36Å; D906-R926 IonicContact OD2-NH2 3.85Å; D906-Y932 PolarHBondContact OD2-OH 3.28Å
907	L	92.2	Very high	91	Very high	18 Å²	18	74.1 Å²	74.1	9%	0.094	36%	0.36	C	S	.	.			trans	-86.7	143	174.8	-64.5	-172.9	0	0	0	112	M876 V890 F891 I904 L918 L922 L935	M876-L907 HydrophobicContact CE-CD1 3.91Å; V890-L907 HydrophobicContact CG1-CD1 4.05Å; V890-L907 HydrophobicContact CG1-CD2 4.12Å; F891-L907 HydrophobicContact CD1-CD2 4.42Å; F891-L907 HydrophobicContact CE1-CD2 3.75Å; F891-L907 HydrophobicContact CZ-CD2 4.35Å; I904-L907 HydrophobicContact CG2-CD2 4.47Å; L907-L918 HydrophobicContact CD1-CB 4.41Å; L907-L918 HydrophobicContact CD1-CD2 3.48Å; L907-L918 VanDerWaalsContact CD1-CD2 3.48Å; L907-L918 HydrophobicContact CD1-CG 3.61Å; L907-L922 HydrophobicContact CB-CD1 4.35Å; L907-L922 HydrophobicContact CD1-CD1 3.76Å; L907-L922 HydrophobicContact CG-CD1 3.91Å; L907-L935 HydrophobicContact CD1-CD2 4.5Å; L907-L935 HydrophobicContact CD2-CD2 3.87Å; L907-L935 HydrophobicContact CG-CD2 3.69Å
908	C	91.6	Very high	91.4	Very high	79 Å²	79	66.8 Å²	66.8	53%	0.534	33%	0.326	S	S	.	.			trans	-77.5	138.8	164.8	-67.4	0	0	0	0	109.5	F910 S915	C908-F910 HydrophobicContact CB-CD1 4.44Å; C908-F910 HydrophobicContact CB-CD2 4.3Å; C908-F910 HydrophobicContact CB-CE1 3.88Å; C908-F910 HydrophobicContact CB-CE2 3.72Å; C908-F910 HydrophobicContact CB-CZ 3.49Å; C908-F910 VanDerWaalsContact CB-CZ 3.49Å; C908-F910 PolarHBondContact O-N 3.41Å; C908-S915 PolarHBondContact O-OG 2.88Å
909	N	93.3	Very high	91.8	Very high	96 Å²	96	61.1 Å²	61.1	51%	0.513	30%	0.301	S	S	.	.			trans	-85.6	92.7	174.1	-171.9	18.2	0	0	0	109.3	R916	N909-R916 WeakPolarHBondContact OD1-CG 3.38Å
910	F	95.2	Very high	92.1	Very high	55 Å²	55	61.3 Å²	61.3	24%	0.241	30%	0.304	C	S	.	.			trans	-82.1	157.5	177.6	-62.6	-63.4	0	0	0	111.1	V890 N892 C908 N912 S915	V890-F910 WeakPolarHBondContact O-CD2 3.45Å; V890-F910 VanDerWaalsContact O-CE2 3.25Å; V890-F910 WeakPolarHBondContact O-CE2 3.34Å; N892-F910 HydrophobicContact CB-CD1 4.25Å; N892-F910 HydrophobicContact CB-CD2 4.3Å; N892-F910 HydrophobicContact CB-CE1 3.75Å; N892-F910 HydrophobicContact CB-CE2 3.8Å; N892-F910 HydrophobicContact CB-CZ 3.5Å; N892-F910 VanDerWaalsContact CB-CZ 3.5Å; C908-F910 HydrophobicContact CB-CD1 4.44Å; C908-F910 HydrophobicContact CB-CD2 4.3Å; C908-F910 HydrophobicContact CB-CE1 3.88Å; C908-F910 HydrophobicContact CB-CE2 3.72Å; C908-F910 HydrophobicContact CB-CZ 3.49Å; C908-F910 VanDerWaalsContact CB-CZ 3.49Å; C908-F910 PolarHBondContact O-N 3.41Å; F910-N912 PolarHBondContact O-N 3.38Å; F910-S915 PolarHBondContact N-OG 3.13Å
911	D	94.2	Very high	92.3	Very high	146 Å²	146	55.5 Å²	55.5	78%	0.781	28%	0.277	S	S	*	.	S	Bend	trans	-78.1	66.3	-179.6	-169.3	19.3	0	0	0	112	R916	D911-R916 IonicContact OD1-CZ 2.96Å; D911-R916 IonicContact OD1-NH1 3.8Å; D911-R916 PolarHBondContact OD1-NH1 3.26Å
912	N	94.1	Very high	92.5	Very high	42 Å²	42	55.3 Å²	55.3	23%	0.225	28%	0.276	C	S	.	.	S	Bend	trans	-151.7	159.2	170	66.7	77.8	0	0	0	110.1	A889 F910 I914 S915 R916	A889-N912 PolarHBondContact O-ND2 2.64Å; F910-N912 PolarHBondContact O-N 3.38Å; N912-I914 PolarHBondContact OD1-N 3.19Å; N912-S915 WeakPolarHBondContact OD1-CB 3.44Å; N912-S915 PolarHBondContact OD1-N 3.42Å; N912-R916 WeakPolarHBondContact O-CB 3.37Å; N912-R916 WeakPolarHBondContact O-CG 3.33Å; N912-R916 PolarHBondContact O-N 3.06Å; N912-R916 VanDerWaalsContact O-N 3.11Å
913	E	92.6	Very high	92.9	Very high	139 Å²	139	55.6 Å²	55.6	65%	0.65	27%	0.272	S	S	*	.	H	α-helix	trans	-65.6	-40.5	-174.6	-64.8	-177.5	169.9	0	0	113	S915 R916 N917	E913-S915 PolarHBondContact O-N 3.16Å; E913-R916 PolarHBondContact O-N 3.22Å; E913-N917 VanDerWaalsContact O-CB 3.26Å; E913-N917 WeakPolarHBondContact O-CB 3.32Å; E913-N917 PolarHBondContact O-N 3.44Å; E913-N917 PolarHBondContact O-ND2 3.33Å; E913-N917 PolarHBondContact O-OD1 3.29Å
914	I	93.6	Very high	93.1	Very high	60 Å²	60	52.6 Å²	52.6	31%	0.308	26%	0.259	S	S	.	.	H	α-helix	trans	-60.8	-50	-178.4	-59.3	175	0	0	0	110.5	W886 A889 V890 N912 N917 L918	W886-I914 HydrophobicContact CG-CG2 4.44Å; A889-I914 HydrophobicContact CB-CB 4.03Å; A889-I914 HydrophobicContact CB-CD1 3.89Å; A889-I914 HydrophobicContact CB-CG1 4.45Å; A889-I914 HydrophobicContact CB-CG2 4.37Å; V890-I914 HydrophobicContact CG2-CG2 3.7Å; N912-I914 PolarHBondContact OD1-N 3.19Å; I914-N917 PolarHBondContact O-N 3.15Å; I914-L918 WeakPolarHBondContact O-CB 3.38Å; I914-L918 PolarHBondContact O-N 3.04Å
915	S	94.8	Very high	93.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-46.8	178.2	-178.5	0	0	0	0	111.8	A889 C908 F910 N912 E913 N917 L918 C919	A889-S915 WeakPolarHBondContact O-CB 3.45Å; C908-S915 PolarHBondContact O-OG 2.88Å; F910-S915 PolarHBondContact N-OG 3.13Å; N912-S915 WeakPolarHBondContact OD1-CB 3.44Å; N912-S915 PolarHBondContact OD1-N 3.42Å; E913-S915 PolarHBondContact O-N 3.16Å; S915-N917 VanDerWaalsContact C-N 3.32Å; S915-N917 PolarHBondContact O-N 3.43Å; S915-L918 PolarHBondContact O-N 3.31Å; S915-C919 WeakPolarHBondContact O-CB 3.25Å; S915-C919 PolarHBondContact O-N 3.44Å; S915-C919 PolarHBondContact O-SG 3.48Å
916	R	93.6	Very high	93.3	Very high	99 Å²	99	50.1 Å²	50.1	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-58.9	-43.6	177.4	-78.2	-167.5	-68	-116.5	0.8	112.1	N909 D911 N912 E913 T920	N909-R916 WeakPolarHBondContact OD1-CG 3.38Å; D911-R916 IonicContact OD1-CZ 2.96Å; D911-R916 IonicContact OD1-NH1 3.8Å; D911-R916 PolarHBondContact OD1-NH1 3.26Å; N912-R916 WeakPolarHBondContact O-CB 3.37Å; N912-R916 WeakPolarHBondContact O-CG 3.33Å; N912-R916 PolarHBondContact O-N 3.06Å; N912-R916 VanDerWaalsContact O-N 3.11Å; E913-R916 PolarHBondContact O-N 3.22Å; R916-T920 WeakPolarHBondContact O-CB 3.48Å; R916-T920 PolarHBondContact O-N 2.99Å; R916-T920 PolarHBondContact O-OG1 2.89Å
917	N	93.2	Very high	93.2	Very high	34 Å²	34	55.7 Å²	55.7	18%	0.182	27%	0.269	C	S	.	.	H	α-helix	trans	-66.6	-50.4	-179.4	-70	-10	0	0	0	110.2	I846 E913 I914 S915 C919 T920 L921	I846-N917 VanDerWaalsContact CD1-C 3.47Å; I846-N917 HydrophobicContact CD1-CB 3.85Å; I846-N917 WeakPolarHBondContact CD1-O 3.09Å; I846-N917 HydrophobicContact CG1-CB 4.47Å; E913-N917 VanDerWaalsContact O-CB 3.26Å; E913-N917 WeakPolarHBondContact O-CB 3.32Å; E913-N917 PolarHBondContact O-N 3.44Å; E913-N917 PolarHBondContact O-ND2 3.33Å; E913-N917 PolarHBondContact O-OD1 3.29Å; I914-N917 PolarHBondContact O-N 3.15Å; S915-N917 VanDerWaalsContact C-N 3.32Å; S915-N917 PolarHBondContact O-N 3.43Å; N917-C919 VanDerWaalsContact C-N 3.35Å; N917-C919 PolarHBondContact O-N 3.13Å; N917-T920 WeakPolarHBondContact O-CA 3.5Å; N917-T920 WeakPolarHBondContact O-CB 3.48Å; N917-T920 PolarHBondContact O-N 3.39Å; N917-L921 PolarHBondContact O-N 3.33Å
918	L	94.1	Very high	92.9	Very high	1 Å²	1	58 Å²	58	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-42.5	179.7	-172.6	54.1	0	0	0	112.5	I835 L838 M876 W886 V890 L907 I914 S915 T920 L921 L922	I835-L918 HydrophobicContact CB-CD1 3.98Å; I835-L918 HydrophobicContact CD1-CD1 3.81Å; I835-L918 HydrophobicContact CD1-CD2 4.28Å; I835-L918 HydrophobicContact CG1-CD1 4.47Å; I835-L918 HydrophobicContact CG2-CD1 4.07Å; L838-L918 HydrophobicContact CD1-CB 4.38Å; L838-L918 HydrophobicContact CD1-CD1 4.15Å; M876-L918 HydrophobicContact CE-CD1 4.03Å; M876-L918 HydrophobicContact CE-CD2 3.75Å; M876-L918 HydrophobicContact CE-CG 4.1Å; M876-L918 HydrophobicContact SD-CD2 4.32Å; W886-L918 HydrophobicContact CH2-CD2 4.3Å; W886-L918 HydrophobicContact CZ2-CD2 3.96Å; V890-L918 HydrophobicContact CG1-CD2 3.88Å; V890-L918 HydrophobicContact CG2-CD2 3.98Å; L907-L918 HydrophobicContact CD1-CB 4.41Å; L907-L918 HydrophobicContact CD1-CD2 3.48Å; L907-L918 VanDerWaalsContact CD1-CD2 3.48Å; L907-L918 HydrophobicContact CD1-CG 3.61Å; I914-L918 WeakPolarHBondContact O-CB 3.38Å; I914-L918 PolarHBondContact O-N 3.04Å; S915-L918 PolarHBondContact O-N 3.31Å; L918-T920 VanDerWaalsContact C-N 3.3Å; L918-T920 PolarHBondContact O-N 3.41Å; L918-L921 PolarHBondContact O-N 3.1Å; L918-L922 WeakPolarHBondContact O-CG 3.42Å; L918-L922 PolarHBondContact O-N 2.89Å
919	C	94.2	Very high	92.9	Very high	10 Å²	10	55.4 Å²	55.4	7%	0.068	26%	0.26	C	S	.	.	H	α-helix	trans	-62.5	-36.7	173.9	-69	0	0	0	0	112.2	S915 N917 R923	S915-C919 WeakPolarHBondContact O-CB 3.25Å; S915-C919 PolarHBondContact O-N 3.44Å; S915-C919 PolarHBondContact O-SG 3.48Å; N917-C919 VanDerWaalsContact C-N 3.35Å; N917-C919 PolarHBondContact O-N 3.13Å; C919-R923 WeakPolarHBondContact O-CG 3.45Å; C919-R923 PolarHBondContact O-N 3.37Å; C919-R923 PolarHBondContact O-NE 3.26Å
920	T	93.3	Very high	92.7	Very high	29 Å²	29	51.6 Å²	51.6	18%	0.178	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-42.5	176	-60.4	0	0	0	0	111.4	I846 R916 N917 L918 R923 K924	I846-T920 HydrophobicContact CD1-CG2 4.16Å; R916-T920 WeakPolarHBondContact O-CB 3.48Å; R916-T920 PolarHBondContact O-N 2.99Å; R916-T920 PolarHBondContact O-OG1 2.89Å; N917-T920 WeakPolarHBondContact O-CA 3.5Å; N917-T920 WeakPolarHBondContact O-CB 3.48Å; N917-T920 PolarHBondContact O-N 3.39Å; L918-T920 VanDerWaalsContact C-N 3.3Å; L918-T920 PolarHBondContact O-N 3.41Å; T920-R923 PolarHBondContact O-N 3.19Å; T920-R923 PolarHBondContact OG1-NH2 3.1Å; T920-K924 WeakPolarHBondContact O-CG 3.42Å; T920-K924 PolarHBondContact O-N 3.35Å
921	L	93.8	Very high	92.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.6	-49.9	173.3	174	58.4	0	0	0	111.2	I835 L838 I846 P850 L867 N917 L918 R923 K924 V925	I835-L921 HydrophobicContact CG2-CD2 3.9Å; L838-L921 HydrophobicContact CD1-CD2 4.13Å; L838-L921 HydrophobicContact CD2-CD2 3.92Å; I846-L921 HydrophobicContact CD1-CB 4.11Å; I846-L921 HydrophobicContact CG2-CD1 4.4Å; P850-L921 HydrophobicContact CG-CD1 3.36Å; P850-L921 HydrophobicContact CG-CD2 4.16Å; P850-L921 HydrophobicContact CG-CG 4.42Å; L867-L921 HydrophobicContact CD2-CD2 4.16Å; L867-L921 HydrophobicContact CD2-CG 4.34Å; N917-L921 PolarHBondContact O-N 3.33Å; L918-L921 PolarHBondContact O-N 3.1Å; L921-R923 VanDerWaalsContact C-N 3.29Å; L921-R923 PolarHBondContact O-N 3Å; L921-K924 PolarHBondContact O-N 3.47Å; L921-K924 VanDerWaalsContact O-N 3.13Å; L921-V925 HydrophobicContact CD1-CG2 3.9Å; L921-V925 HydrophobicContact CG-CG2 4.37Å; L921-V925 WeakPolarHBondContact O-CG2 3.24Å; L921-V925 PolarHBondContact O-N 3.09Å
922	L	94.3	Very high	92.6	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-57.2	-42.6	177.7	-70.7	175.3	0	0	0	111.8	L867 L874 L907 L918 V925 R926 L935	L867-L922 HydrophobicContact CD1-CD2 3.88Å; L867-L922 HydrophobicContact CD2-CD2 3.82Å; L874-L922 HydrophobicContact CD1-CD2 4.18Å; L907-L922 HydrophobicContact CB-CD1 4.35Å; L907-L922 HydrophobicContact CD1-CD1 3.76Å; L907-L922 HydrophobicContact CG-CD1 3.91Å; L918-L922 WeakPolarHBondContact O-CG 3.42Å; L918-L922 PolarHBondContact O-N 2.89Å; L922-V925 PolarHBondContact O-N 3.29Å; L922-R926 WeakPolarHBondContact O-CB 3.48Å; L922-R926 WeakPolarHBondContact O-CG 3.47Å; L922-R926 PolarHBondContact O-N 2.93Å; L922-L935 HydrophobicContact CD1-CD2 4.07Å; L922-L935 HydrophobicContact CD2-CD1 4.22Å
923	R	93.3	Very high	92.4	Very high	133 Å²	133	41.5 Å²	41.5	50%	0.502	19%	0.185	S	C	.	.	H	α-helix	trans	-60.9	-46.4	174.7	-79.2	-176	-89.8	111.6	-1.5	112.3	C919 T920 L921 R926 K927	C919-R923 WeakPolarHBondContact O-CG 3.45Å; C919-R923 PolarHBondContact O-N 3.37Å; C919-R923 PolarHBondContact O-NE 3.26Å; T920-R923 PolarHBondContact O-N 3.19Å; T920-R923 PolarHBondContact OG1-NH2 3.1Å; L921-R923 VanDerWaalsContact C-N 3.29Å; L921-R923 PolarHBondContact O-N 3Å; R923-R926 PolarHBondContact O-N 3.2Å; R923-K927 WeakPolarHBondContact O-CB 3.16Å; R923-K927 PolarHBondContact O-N 2.84Å
924	K	92.3	Very high	92.2	Very high	44 Å²	44	37.4 Å²	37.4	19%	0.191	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-42.7	178.3	-71.2	-170.9	-176.8	-169.6	0	112.4	D845 I846 Y848 T920 L921 K927 N928	D845-K924 WeakPolarHBondContact OD1-CE 3.4Å; D845-K924 IonicContact OD1-NZ 2.91Å; D845-K924 PolarHBondContact OD1-NZ 2.73Å; D845-K924 IonicContact OD2-NZ 2.87Å; D845-K924 PolarHBondContact OD2-NZ 3.27Å; I846-K924 PolarHBondContact O-NZ 3.14Å; Y848-K924 HydrophobicContact CD2-CB 3.67Å; Y848-K924 HydrophobicContact CD2-CD 4.31Å; Y848-K924 HydrophobicContact CE2-CB 4.04Å; Y848-K924 HydrophobicContact CG-CB 4.14Å; Y848-K924 HydrophobicContact CG-CD 4.19Å; T920-K924 WeakPolarHBondContact O-CG 3.42Å; T920-K924 PolarHBondContact O-N 3.35Å; L921-K924 PolarHBondContact O-N 3.47Å; L921-K924 VanDerWaalsContact O-N 3.13Å; K924-K927 PolarHBondContact O-N 2.67Å; K924-N928 PolarHBondContact O-ND2 2.82Å
925	V	92.8	Very high	92.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.4	-54.5	174.9	171.9	0	0	0	0	109.9	Y848 D869 L874 L921 L922 K927 N928 R929	Y848-V925 HydrophobicContact CE2-CG2 3.89Å; D869-V925 WeakPolarHBondContact OD2-CG1 3.16Å; L874-V925 HydrophobicContact CD1-CG1 4.22Å; L874-V925 HydrophobicContact CD2-CG1 3.68Å; L921-V925 HydrophobicContact CD1-CG2 3.9Å; L921-V925 HydrophobicContact CG-CG2 4.37Å; L921-V925 WeakPolarHBondContact O-CG2 3.24Å; L921-V925 PolarHBondContact O-N 3.09Å; L922-V925 PolarHBondContact O-N 3.29Å; V925-K927 VanDerWaalsContact C-N 3.29Å; V925-K927 PolarHBondContact O-N 2.83Å; V925-N928 PolarHBondContact O-N 2.92Å; V925-N928 VanDerWaalsContact O-N 3.08Å; V925-R929 WeakPolarHBondContact O-CG 3.35Å
926	R	92.4	Very high	92.2	Very high	10 Å²	10	36 Å²	36	4%	0.038	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-32.5	-179.6	-73.1	177.9	179.6	140.2	1.8	113.3	R617 L874 D906 L922 R923 N928 R929 Y932 S933	R617-R926 VanDerWaalsContact CZ-O 3.3Å; R617-R926 PolarHBondContact NH1-O 3.06Å; R617-R926 PolarHBondContact NH2-O 3.14Å; L874-R926 HydrophobicContact CD1-CG 3.95Å; D906-R926 IonicContact OD1-CZ 3.84Å; D906-R926 IonicContact OD1-NH1 3.47Å; D906-R926 PolarHBondContact OD1-NH1 3.23Å; D906-R926 IonicContact OD1-NH2 2.74Å; D906-R926 PolarHBondContact OD1-NH2 2.94Å; D906-R926 IonicContact OD2-CZ 3.67Å; D906-R926 IonicContact OD2-NH1 3.26Å; D906-R926 PolarHBondContact OD2-NH1 3.36Å; D906-R926 IonicContact OD2-NH2 3.85Å; L922-R926 WeakPolarHBondContact O-CB 3.48Å; L922-R926 WeakPolarHBondContact O-CG 3.47Å; L922-R926 PolarHBondContact O-N 2.93Å; R923-R926 PolarHBondContact O-N 3.2Å; R926-N928 PolarHBondContact O-N 3.2Å; R926-R929 PolarHBondContact O-N 3.12Å; R926-Y932 PolarHBondContact NH1-OH 3.31Å; R926-S933 PolarHBondContact NE-O 2.83Å; R926-S933 PolarHBondContact NH2-O 3.2Å
927	K	89.5	Confident	92.3	Very high	173 Å²	173	31.5 Å²	31.5	75%	0.752	14%	0.14	S	C	*	.	H	α-helix	trans	-61.5	-29.8	176.8	-173.1	-178.8	177.5	-175	0	112.6	R923 K924 V925	R923-K927 WeakPolarHBondContact O-CB 3.16Å; R923-K927 PolarHBondContact O-N 2.84Å; K924-K927 PolarHBondContact O-N 2.67Å; V925-K927 VanDerWaalsContact C-N 3.29Å; V925-K927 PolarHBondContact O-N 2.83Å
928	N	85.9	Confident	92.4	Very high	66 Å²	66	30 Å²	30	35%	0.353	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	6	-177.8	-74.6	-75.9	0	0	0	114	Y848 K924 V925 R926	Y848-N928 HydrophobicContact CE1-CB 4.45Å; Y848-N928 WeakPolarHBondContact CE1-ND2 3.19Å; Y848-N928 VanDerWaalsContact CZ-ND2 3.29Å; Y848-N928 VanDerWaalsContact OH-CB 3.3Å; Y848-N928 WeakPolarHBondContact OH-CB 3.39Å; Y848-N928 PolarHBondContact OH-ND2 3.41Å; K924-N928 PolarHBondContact O-ND2 2.82Å; V925-N928 PolarHBondContact O-N 2.92Å; V925-N928 VanDerWaalsContact O-N 3.08Å; R926-N928 PolarHBondContact O-N 3.2Å
929	R	90.6	Very high	92.2	Very high	25 Å²	25	32.2 Å²	32.2	9%	0.094	14%	0.14	C	C	.	.	S	Bend	trans	-104.9	157.7	177.5	-59.3	-55.2	177.1	-169.7	-3.4	110.9	R617 C826 D869 V925 R926 H931	R617-R929 PolarHBondContact NH1-O 2.87Å; C826-R929 VanDerWaalsContact SG-CZ 3.57Å; C826-R929 PolarHBondContact SG-NH1 3.14Å; C826-R929 PolarHBondContact SG-NH2 3.23Å; D869-R929 VanDerWaalsContact CG-NH2 3.27Å; D869-R929 IonicContact OD1-CZ 2.79Å; D869-R929 IonicContact OD1-NE 3.67Å; D869-R929 PolarHBondContact OD1-NE 3.01Å; D869-R929 IonicContact OD1-NH2 2.79Å; D869-R929 IonicContact OD2-CZ 2.75Å; D869-R929 IonicContact OD2-NE 2.9Å; D869-R929 PolarHBondContact OD2-NE 3.05Å; D869-R929 IonicContact OD2-NH2 2.84Å; D869-R929 PolarHBondContact OD2-NH2 3.11Å; V925-R929 WeakPolarHBondContact O-CG 3.35Å; R926-R929 PolarHBondContact O-N 3.12Å; R929-H931 VanDerWaalsContact C-N 3.31Å
930	W	89.9	Confident	91.8	Very high	16 Å²	16	34 Å²	34	6%	0.061	15%	0.152	C	C	.	.	S	Bend	trans	-77.1	-21.7	179.4	66.4	-86.8	0	0	0	112.5	F597 R617 D662 L815	F597-W930 HydrophobicContact CD1-CZ3 4.34Å; F597-W930 HydrophobicContact CE1-CE3 4.4Å; F597-W930 HydrophobicContact CE1-CH2 4.25Å; F597-W930 AromaticContact CE1-CZ3 3.61Å; F597-W930 HydrophobicContact CE1-CZ3 3.61Å; F597-W930 AromaticContact CZ-CZ3 3.89Å; F597-W930 HydrophobicContact CZ-CZ3 3.89Å; R617-W930 WeakPolarHBondContact CD-O 3.36Å; D662-W930 HydrophobicContact CB-CB 4.16Å; D662-W930 WeakPolarHBondContact OD2-CB 3.38Å; L815-W930 HydrophobicContact CD1-CZ2 4.24Å; L815-W930 HydrophobicContact CD2-CH2 3.52Å; L815-W930 HydrophobicContact CD2-CZ2 3.5Å; L815-W930 HydrophobicContact CG-CZ2 4.49Å
931	H	92.5	Very high	91.5	Very high	8 Å²	8	36 Å²	36	4%	0.037	18%	0.178	C	C	.	.	S	Bend	trans	-132.5	170.2	178.9	72.2	-28.5	0	0	0	111.8	F597 D614 R617 G871 I872 R929 S933	F597-H931 HydrophobicContact CE1-CB 4.02Å; D614-H931 WeakPolarHBondContact OD1-CA 3.43Å; D614-H931 WeakPolarHBondContact OD1-CB 3.45Å; R617-H931 VanDerWaalsContact NH1-C 3.34Å; R617-H931 PolarHBondContact NH1-O 3.23Å; G871-H931 PolarHBondContact O-CE1 2.94Å; I872-H931 PolarHBondContact O-CE1 3.3Å; I872-H931 VanDerWaalsContact O-CE1 3.32Å; I872-H931 PolarHBondContact O-NE2 3.01Å; R929-H931 VanDerWaalsContact C-N 3.31Å; H931-S933 PolarHBondContact CE1-OG 3.44Å; H931-S933 PolarHBondContact O-N 3.03Å
932	Y	93.2	Very high	91.2	Very high	23 Å²	23	37.3 Å²	37.3	9%	0.09	19%	0.186	C	C	.	.			trans	-78.9	92.9	171.3	-161.8	-84	0	0	0	110.1	H609 Q610 A613 D614 D906 R926 R934	H609-Y932 AromaticContact CD2-CE2 3.96Å; H609-Y932 AromaticContact CD2-CZ 3.55Å; H609-Y932 PolarHBondContact CD2-OH 3.15Å; H609-Y932 VanDerWaalsContact CD2-OH 3.31Å; H609-Y932 AromaticContact NE2-CE2 3.69Å; H609-Y932 AromaticContact NE2-CZ 3.7Å; H609-Y932 PolarHBondContact NE2-OH 3.48Å; Q610-Y932 HydrophobicContact CB-CD1 4.05Å; Q610-Y932 HydrophobicContact CG-CD1 3.9Å; Q610-Y932 HydrophobicContact CG-CG 4.46Å; Q610-Y932 PolarHBondContact NE2-O 3.17Å; A613-Y932 HydrophobicContact CB-CD2 3.37Å; A613-Y932 HydrophobicContact CB-CE2 4.02Å; A613-Y932 HydrophobicContact CB-CG 3.85Å; D614-Y932 WeakPolarHBondContact OD1-CB 3.28Å; D614-Y932 PolarHBondContact OD1-N 3.19Å; D906-Y932 PolarHBondContact OD2-OH 3.28Å; R926-Y932 PolarHBondContact NH1-OH 3.31Å; Y932-R934 PolarHBondContact O-N 2.96Å; Y932-R934 VanDerWaalsContact O-N 3.07Å
933	S	91	Very high	90.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.224	C	C	.	.			trans	-61.2	113.9	172.8	-50.6	0	0	0	0	110.8	R926 H931	R926-S933 PolarHBondContact NE-O 2.83Å; R926-S933 PolarHBondContact NH2-O 3.2Å; H931-S933 PolarHBondContact CE1-OG 3.44Å; H931-S933 PolarHBondContact O-N 3.03Å
934	R	89.1	Confident	90.7	Very high	53 Å²	53	41.1 Å²	41.1	20%	0.2	21%	0.209	C	C	.	.			trans	-58	138.7	169.9	169.4	-178.6	173.3	-178.4	2.9	109.8	L874 E902 Y905 Y932 L936	L874-R934 PolarHBondContact N-O 3Å; L874-R934 VanDerWaalsContact N-O 3.16Å; E902-R934 PolarHBondContact O-NH2 3Å; Y905-R934 HydrophobicContact CD1-CG 3.94Å; Y905-R934 VanDerWaalsContact CD1-NE 3.3Å; Y905-R934 HydrophobicContact CE1-CG 4.43Å; Y905-R934 PolarHBondContact OH-NH1 3.13Å; Y905-R934 PolarHBondContact OH-NH2 2.93Å; Y932-R934 PolarHBondContact O-N 2.96Å; Y932-R934 VanDerWaalsContact O-N 3.07Å; R934-L936 HydrophobicContact CG-CD2 4.48Å; R934-L936 HydrophobicContact CG-CG 4.43Å
935	L	94	Very high	90.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	134.3	167.6	-171.9	62	0	0	0	110	L867 L874 M876 I904 Y905 L907 L922 V937	L867-L935 HydrophobicContact CD1-CD1 4.04Å; L874-L935 HydrophobicContact CB-CD1 4.09Å; L874-L935 CarbonylContact O-C 3.17Å; L874-L935 WeakPolarHBondContact O-CA 3.4Å; M876-L935 HydrophobicContact CB-CD1 3.94Å; M876-L935 HydrophobicContact CE-CD1 4.29Å; M876-L935 HydrophobicContact CE-CD2 4.18Å; I904-L935 VanDerWaalsContact O-O 3.05Å; Y905-L935 WeakPolarHBondContact O-CB 3.24Å; Y905-L935 PolarHBondContact O-N 3.26Å; L907-L935 HydrophobicContact CD1-CD2 4.5Å; L907-L935 HydrophobicContact CD2-CD2 3.87Å; L907-L935 HydrophobicContact CG-CD2 3.69Å; L922-L935 HydrophobicContact CD1-CD2 4.07Å; L922-L935 HydrophobicContact CD2-CD1 4.22Å; L935-V937 HydrophobicContact CD2-CG2 4.46Å; L935-V937 HydrophobicContact CG-CG2 4.49Å
936	L	93.7	Very high	90.4	Very high	32 Å²	32	45.8 Å²	45.8	17%	0.168	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	114.8	172.8	-70.5	169.5	0	0	0	108.1	L874 I875 M876 R934 W947	L874-L936 PolarHBondContact O-N 3.47Å; I875-L936 CarbonylContact C-O 3.54Å; I875-L936 WeakPolarHBondContact CA-O 3.44Å; I875-L936 HydrophobicContact CG1-CB 4.31Å; I875-L936 HydrophobicContact CG1-CD1 4.49Å; M876-L936 PolarHBondContact N-O 3.29Å; R934-L936 HydrophobicContact CG-CD2 4.48Å; R934-L936 HydrophobicContact CG-CG 4.43Å; L936-W947 HydrophobicContact CD1-CE3 4.5Å; L936-W947 HydrophobicContact CD1-CH2 3.76Å; L936-W947 HydrophobicContact CD1-CZ3 3.38Å
937	V	95.4	Very high	90.2	Very high	4 Å²	4	48 Å²	48	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.6	175.4	-178.6	0	0	0	0	108.9	M876 I878 F891 F899 S901 I904 L935	M876-V937 HydrophobicContact CB-CG2 4.44Å; M876-V937 CarbonylContact O-C 3.38Å; M876-V937 WeakPolarHBondContact O-CA 3.41Å; I878-V937 HydrophobicContact CD1-CG1 3.47Å; I878-V937 VanDerWaalsContact CD1-CG1 3.47Å; I878-V937 HydrophobicContact CG1-CG1 4.22Å; F891-V937 HydrophobicContact CE1-CG2 4.24Å; F891-V937 HydrophobicContact CZ-CG1 4.24Å; F891-V937 HydrophobicContact CZ-CG2 4.41Å; F899-V937 HydrophobicContact CE2-CG1 4.01Å; F899-V937 HydrophobicContact CZ-CG1 4.4Å; S901-V937 WeakPolarHBondContact CB-O 3.35Å; I904-V937 HydrophobicContact CB-CB 4.43Å; I904-V937 HydrophobicContact CB-CG2 3.84Å; I904-V937 HydrophobicContact CD1-CB 4.48Å; I904-V937 HydrophobicContact CD1-CG2 4.13Å; I904-V937 HydrophobicContact CG2-CG2 3.65Å; L935-V937 HydrophobicContact CD2-CG2 4.46Å; L935-V937 HydrophobicContact CG-CG2 4.49Å
938	V	95.1	Very high	90.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128.9	-176.6	178.2	0	0	0	0	109.2	I875 M876 W877 I878 E945 F948	I875-V938 HydrophobicContact CG2-CB 4.25Å; I875-V938 HydrophobicContact CG2-CG2 3.54Å; M876-V938 PolarHBondContact O-N 3.32Å; W877-V938 WeakPolarHBondContact CA-O 3.28Å; I878-V938 PolarHBondContact N-O 3.16Å; V938-E945 HydrophobicContact CG1-CB 3.93Å; V938-E945 HydrophobicContact CG1-CG 4.17Å; V938-F948 HydrophobicContact CG1-CB 4.19Å
939	R	90.9	Very high	90.7	Very high	48 Å²	48	41.7 Å²	41.7	18%	0.181	21%	0.21	C	C	.	.			trans	-113.1	155.3	172.4	-57.5	168.3	-60.2	-176.1	9	110.4	P896 F899 G941 D942	P896-R939 PolarHBondContact O-NH1 3.5Å; F899-R939 PolarHBondContact O-NH1 3Å; F899-R939 VanDerWaalsContact O-NH1 3.11Å; R939-G941 PolarHBondContact O-N 2.9Å; R939-D942 WeakPolarHBondContact CB-OD2 3.32Å; R939-D942 IonicContact CZ-OD1 2.97Å; R939-D942 IonicContact CZ-OD2 2.95Å; R939-D942 PolarHBondContact N-OD2 3.42Å; R939-D942 IonicContact NE-OD1 2.68Å; R939-D942 PolarHBondContact NE-OD1 3.33Å; R939-D942 IonicContact NE-OD2 3.38Å; R939-D942 PolarHBondContact NE-OD2 3.45Å; R939-D942 IonicContact NH2-OD1 3.92Å; R939-D942 PolarHBondContact NH2-OD1 2.93Å; R939-D942 IonicContact NH2-OD2 3Å; R939-D942 VanDerWaalsContact O-CB 3.3Å; R939-D942 WeakPolarHBondContact O-CB 3.05Å; R939-D942 PolarHBondContact O-N 3.44Å
940	P	86	Confident	90.7	Very high	48 Å²	48	43.2 Å²	43.2	31%	0.312	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	130.4	169.7	-26.1	30.1	0	0	0	111.9	W877 I878 P880 D942 E945	W877-P940 HydrophobicContact CZ2-CG 4.16Å; I878-P940 WeakPolarHBondContact O-CD 3.41Å; P880-P940 HydrophobicContact CB-CB 4.47Å; P880-P940 HydrophobicContact CB-CG 3.94Å; P880-P940 HydrophobicContact CG-CG 3.98Å; P940-D942 VanDerWaalsContact C-N 3.3Å; P940-D942 PolarHBondContact O-N 2.95Å; P940-E945 VanDerWaalsContact CA-OE2 3.27Å; P940-E945 WeakPolarHBondContact CA-OE2 3.37Å
941	G	85.1	Confident	90.9	Very high	71 Å²	71	43.2 Å²	43.2	73%	0.732	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.6	-13.1	-177.9	0	0	0	0	0	115.2	R939 E945	R939-G941 PolarHBondContact O-N 2.9Å; G941-E945 PolarHBondContact N-OE2 3.43Å
942	D	89.1	Confident	91	Very high	28 Å²	28	42.9 Å²	42.9	15%	0.15	22%	0.215	C	C	.	.	S	Bend	trans	-62.8	146.3	170.2	-72.3	-17.4	0	0	0	109.1	S901 R939 P940 S944 E945	S901-D942 PolarHBondContact OG-OD2 3.4Å; R939-D942 WeakPolarHBondContact CB-OD2 3.32Å; R939-D942 IonicContact CZ-OD1 2.97Å; R939-D942 IonicContact CZ-OD2 2.95Å; R939-D942 PolarHBondContact N-OD2 3.42Å; R939-D942 IonicContact NE-OD1 2.68Å; R939-D942 PolarHBondContact NE-OD1 3.33Å; R939-D942 IonicContact NE-OD2 3.38Å; R939-D942 PolarHBondContact NE-OD2 3.45Å; R939-D942 IonicContact NH2-OD1 3.92Å; R939-D942 PolarHBondContact NH2-OD1 2.93Å; R939-D942 IonicContact NH2-OD2 3Å; R939-D942 VanDerWaalsContact O-CB 3.3Å; R939-D942 WeakPolarHBondContact O-CB 3.05Å; R939-D942 PolarHBondContact O-N 3.44Å; P940-D942 VanDerWaalsContact C-N 3.3Å; P940-D942 PolarHBondContact O-N 2.95Å; D942-S944 WeakPolarHBondContact CB-OG 3.45Å; D942-S944 PolarHBondContact O-N 3.48Å; D942-S944 VanDerWaalsContact O-N 3.15Å; D942-E945 VanDerWaalsContact O-CB 3.23Å; D942-E945 WeakPolarHBondContact O-CB 3.49Å; D942-E945 PolarHBondContact O-N 3.42Å
943	K	86.2	Confident	91.1	Very high	186 Å²	186	42.2 Å²	42.2	81%	0.809	21%	0.213	S	C	*	.	H	α-helix	trans	-58.3	-30.8	176.1	-68.7	179.4	-177.5	172.1	0	112.2	E945	K943-E945 PolarHBondContact O-N 2.72Å
944	S	89.4	Confident	91.3	Very high	28 Å²	28	42.9 Å²	42.9	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-68.5	-17	176.4	53.7	0	0	0	0	113.4	D942 L946 W947 F948	D942-S944 WeakPolarHBondContact CB-OG 3.45Å; D942-S944 PolarHBondContact O-N 3.48Å; D942-S944 VanDerWaalsContact O-N 3.15Å; S944-L946 VanDerWaalsContact C-N 3.34Å; S944-L946 PolarHBondContact O-N 3.43Å; S944-W947 WeakPolarHBondContact O-CB 3.24Å; S944-W947 PolarHBondContact O-N 3.29Å; S944-W947 VanDerWaalsContact O-N 3.11Å; S944-F948 PolarHBondContact O-N 2.94Å
945	E	91.8	Very high	91.6	Very high	12 Å²	12	41.9 Å²	41.9	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-65.5	-37.9	177	-159.9	-153.7	150	0	0	111.7	Y857 V938 P940 G941 D942 K943 W947 F948 R949	Y857-E945 PolarHBondContact OH-OE1 2.83Å; Y857-E945 VanDerWaalsContact OH-OE1 3.09Å; V938-E945 HydrophobicContact CG1-CB 3.93Å; V938-E945 HydrophobicContact CG1-CG 4.17Å; P940-E945 VanDerWaalsContact CA-OE2 3.27Å; P940-E945 WeakPolarHBondContact CA-OE2 3.37Å; G941-E945 PolarHBondContact N-OE2 3.43Å; D942-E945 VanDerWaalsContact O-CB 3.23Å; D942-E945 WeakPolarHBondContact O-CB 3.49Å; D942-E945 PolarHBondContact O-N 3.42Å; K943-E945 PolarHBondContact O-N 2.72Å; E945-W947 PolarHBondContact O-N 3.43Å; E945-F948 PolarHBondContact O-N 2.84Å; E945-R949 WeakPolarHBondContact O-CG 3.41Å; E945-R949 PolarHBondContact O-N 3.39Å; E945-R949 IonicContact OE1-CZ 2.64Å; E945-R949 VanDerWaalsContact OE1-CZ 3.32Å; E945-R949 IonicContact OE1-NE 3.36Å; E945-R949 PolarHBondContact OE1-NE 3.39Å; E945-R949 IonicContact OE1-NH2 2.79Å; E945-R949 PolarHBondContact OE1-NH2 2.88Å
946	L	88.8	Confident	91.5	Very high	129 Å²	129	48.1 Å²	48.1	68%	0.675	24%	0.238	S	C	*	.	H	α-helix	trans	-58.9	-35.7	173.3	-96.7	81.2	0	0	0	111.7	S944	S944-L946 VanDerWaalsContact C-N 3.34Å; S944-L946 PolarHBondContact O-N 3.43Å
947	W	88.2	Confident	90.8	Very high	56 Å²	56	48.8 Å²	48.8	21%	0.212	25%	0.245	C	C	.	.	H	α-helix	trans	-74.8	-43	177.5	-174.5	64.7	0	0	0	111.4	E796 Y873 I875 L936 S944 E945 R949 R950 F951	E796-W947 PolarHBondContact OE1-NE1 2.65Å; Y873-W947 AromaticContact CD1-CH2 3.93Å; Y873-W947 HydrophobicContact CD1-CH2 3.93Å; Y873-W947 AromaticContact CD2-CH2 3.63Å; Y873-W947 HydrophobicContact CD2-CH2 3.63Å; Y873-W947 AromaticContact CD2-CZ2 3.79Å; Y873-W947 HydrophobicContact CD2-CZ2 3.79Å; Y873-W947 HydrophobicContact CE1-CH2 4.06Å; Y873-W947 HydrophobicContact CE1-CZ2 4.35Å; Y873-W947 AromaticContact CE2-CH2 3.78Å; Y873-W947 HydrophobicContact CE2-CH2 3.78Å; Y873-W947 AromaticContact CE2-CZ2 3.52Å; Y873-W947 HydrophobicContact CE2-CZ2 3.52Å; Y873-W947 AromaticContact CG-CH2 3.7Å; Y873-W947 HydrophobicContact CG-CH2 3.7Å; Y873-W947 HydrophobicContact CG-CZ2 4.31Å; Y873-W947 AromaticContact CZ-CH2 3.97Å; Y873-W947 AromaticContact CZ-CZ2 3.81Å; I875-W947 HydrophobicContact CD1-CE3 4.02Å; I875-W947 HydrophobicContact CD1-CH2 4.15Å; I875-W947 HydrophobicContact CD1-CZ3 3.54Å; I875-W947 HydrophobicContact CG1-CZ3 4.16Å; L936-W947 HydrophobicContact CD1-CE3 4.5Å; L936-W947 HydrophobicContact CD1-CH2 3.76Å; L936-W947 HydrophobicContact CD1-CZ3 3.38Å; S944-W947 WeakPolarHBondContact O-CB 3.24Å; S944-W947 PolarHBondContact O-N 3.29Å; S944-W947 VanDerWaalsContact O-N 3.11Å; E945-W947 PolarHBondContact O-N 3.43Å; W947-R949 VanDerWaalsContact C-N 3.28Å; W947-R949 PolarHBondContact O-N 3.35Å; W947-R950 VanDerWaalsContact O-CB 3.29Å; W947-R950 WeakPolarHBondContact O-CB 3.34Å; W947-R950 PolarHBondContact O-N 3.09Å; W947-F951 AromaticContact CD2-CE2 3.94Å; W947-F951 HydrophobicContact CD2-CE2 3.94Å; W947-F951 AromaticContact CE2-CE2 3.76Å; W947-F951 AromaticContact CE2-CZ 3.93Å; W947-F951 HydrophobicContact CE3-CE2 4.16Å; W947-F951 HydrophobicContact CH2-CE2 4.12Å; W947-F951 HydrophobicContact CH2-CZ 4.18Å; W947-F951 AromaticContact CZ2-CE2 3.89Å; W947-F951 HydrophobicContact CZ2-CE2 3.89Å; W947-F951 AromaticContact CZ2-CZ 3.75Å; W947-F951 HydrophobicContact CZ2-CZ 3.75Å; W947-F951 HydrophobicContact CZ3-CE2 4.21Å; W947-F951 WeakPolarHBondContact O-CD2 3.49Å
948	F	92.7	Very high	89.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-54.2	-42.9	172.3	169.8	-105.6	0	0	0	112.5	L860 L868 I875 W877 V938 S944 E945 R950 F951 M952	L860-F948 HydrophobicContact CD1-CE1 3.7Å; L860-F948 HydrophobicContact CD1-CZ 4.09Å; L868-F948 HydrophobicContact CB-CE2 4.06Å; L868-F948 HydrophobicContact CD1-CE2 4.03Å; I875-F948 HydrophobicContact CB-CD2 4.25Å; I875-F948 HydrophobicContact CD1-CD2 4.48Å; I875-F948 HydrophobicContact CG2-CB 4.44Å; I875-F948 HydrophobicContact CG2-CD2 3.62Å; I875-F948 HydrophobicContact CG2-CE2 4.33Å; I875-F948 HydrophobicContact CG2-CG 4.38Å; W877-F948 HydrophobicContact CB-CD1 4.42Å; W877-F948 HydrophobicContact CB-CD2 4.4Å; W877-F948 HydrophobicContact CB-CE1 3.89Å; W877-F948 HydrophobicContact CB-CE2 3.87Å; W877-F948 HydrophobicContact CB-CZ 3.58Å; W877-F948 AromaticContact CD1-CD1 3.46Å; W877-F948 VanDerWaalsContact CD1-CD1 3.46Å; W877-F948 AromaticContact CD1-CE1 3.37Å; W877-F948 HydrophobicContact CD2-CE1 4.31Å; W877-F948 HydrophobicContact CG-CD1 4.1Å; W877-F948 AromaticContact CG-CE1 3.6Å; W877-F948 HydrophobicContact CG-CE1 3.6Å; W877-F948 HydrophobicContact CG-CE2 4.47Å; W877-F948 AromaticContact CG-CZ 3.8Å; W877-F948 HydrophobicContact CG-CZ 3.8Å; W877-F948 AromaticContact NE1-CE1 3.93Å; V938-F948 HydrophobicContact CG1-CB 4.19Å; S944-F948 PolarHBondContact O-N 2.94Å; E945-F948 PolarHBondContact O-N 2.84Å; F948-R950 PolarHBondContact O-N 2.91Å; F948-R950 VanDerWaalsContact O-N 3.1Å; F948-F951 PolarHBondContact O-N 2.8Å; F948-M952 HydrophobicContact CD2-CE 4.31Å; F948-M952 HydrophobicContact CE1-CE 3.88Å; F948-M952 HydrophobicContact CE2-CE 3.6Å; F948-M952 HydrophobicContact CZ-CE 3.36Å; F948-M952 HydrophobicContact CZ-SD 4.41Å
949	R	92.2	Very high	88.8	Confident	108 Å²	108	56.6 Å²	56.6	41%	0.408	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-59	-22.2	177.7	-73.6	176.3	-176.9	-141.6	3.6	113.9	Y857 E945 W947 F951 M952	Y857-R949 HydrophobicContact CD2-CG 3.85Å; Y857-R949 HydrophobicContact CE2-CG 3.95Å; Y857-R949 PolarHBondContact OH-NH2 3.06Å; E945-R949 WeakPolarHBondContact O-CG 3.41Å; E945-R949 PolarHBondContact O-N 3.39Å; E945-R949 IonicContact OE1-CZ 2.64Å; E945-R949 VanDerWaalsContact OE1-CZ 3.32Å; E945-R949 IonicContact OE1-NE 3.36Å; E945-R949 PolarHBondContact OE1-NE 3.39Å; E945-R949 IonicContact OE1-NH2 2.79Å; E945-R949 PolarHBondContact OE1-NH2 2.88Å; W947-R949 VanDerWaalsContact C-N 3.28Å; W947-R949 PolarHBondContact O-N 3.35Å; R949-F951 VanDerWaalsContact C-N 3.25Å; R949-F951 PolarHBondContact O-N 3.14Å; R949-M952 WeakPolarHBondContact O-CB 3.5Å; R949-M952 PolarHBondContact O-N 2.96Å
950	R	90.1	Very high	88	Confident	57 Å²	57	61.5 Å²	61.5	22%	0.215	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-68.8	-25.6	175.3	-62.4	-178.5	174.9	173.2	-1.6	112.9	D802 W947 F948 M952	D802-R950 PolarHBondContact O-NH1 3.46Å; D802-R950 VanDerWaalsContact O-NH1 3.08Å; D802-R950 PolarHBondContact O-NH2 2.83Å; W947-R950 VanDerWaalsContact O-CB 3.29Å; W947-R950 WeakPolarHBondContact O-CB 3.34Å; W947-R950 PolarHBondContact O-N 3.09Å; F948-R950 PolarHBondContact O-N 2.91Å; F948-R950 VanDerWaalsContact O-N 3.1Å; R950-M952 VanDerWaalsContact C-N 3.29Å
951	F	93.7	Very high	87.9	Confident	16 Å²	16	60.1 Å²	60.1	7%	0.07	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-84.2	-4.9	177	-57.9	-78	0	0	0	113	P830 L868 N870 Y873 I875 W947 F948 R949 V953	P830-F951 HydrophobicContact CG-CB 4.36Å; P830-F951 HydrophobicContact CG-CD1 4.31Å; L868-F951 HydrophobicContact CD1-CB 3.44Å; L868-F951 VanDerWaalsContact CD1-CB 3.44Å; L868-F951 HydrophobicContact CD1-CG 4.39Å; L868-F951 HydrophobicContact CD2-CB 3.85Å; L868-F951 HydrophobicContact CD2-CD1 4.29Å; L868-F951 HydrophobicContact CD2-CD2 4.42Å; L868-F951 HydrophobicContact CD2-CG 3.93Å; L868-F951 HydrophobicContact CG-CB 4.31Å; N870-F951 HydrophobicContact CB-CD1 4.39Å; N870-F951 VanDerWaalsContact ND2-CE1 3.25Å; N870-F951 WeakPolarHBondContact ND2-CE1 3.35Å; Y873-F951 HydrophobicContact CD2-CE1 4.46Å; Y873-F951 AromaticContact CD2-CZ 3.97Å; Y873-F951 HydrophobicContact CD2-CZ 3.97Å; Y873-F951 HydrophobicContact CE2-CZ 4.33Å; I875-F951 HydrophobicContact CD1-CD2 3.67Å; I875-F951 HydrophobicContact CD1-CE2 3.53Å; I875-F951 HydrophobicContact CD1-CZ 4.37Å; W947-F951 AromaticContact CD2-CE2 3.94Å; W947-F951 HydrophobicContact CD2-CE2 3.94Å; W947-F951 AromaticContact CE2-CE2 3.76Å; W947-F951 AromaticContact CE2-CZ 3.93Å; W947-F951 HydrophobicContact CE3-CE2 4.16Å; W947-F951 HydrophobicContact CH2-CE2 4.12Å; W947-F951 HydrophobicContact CH2-CZ 4.18Å; W947-F951 AromaticContact CZ2-CE2 3.89Å; W947-F951 HydrophobicContact CZ2-CE2 3.89Å; W947-F951 AromaticContact CZ2-CZ 3.75Å; W947-F951 HydrophobicContact CZ2-CZ 3.75Å; W947-F951 HydrophobicContact CZ3-CE2 4.21Å; W947-F951 WeakPolarHBondContact O-CD2 3.49Å; F948-F951 PolarHBondContact O-N 2.8Å; R949-F951 VanDerWaalsContact C-N 3.25Å; R949-F951 PolarHBondContact O-N 3.14Å; F951-V953 PolarHBondContact O-N 3.43Å
952	M	95.4	Very high	88.2	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	30%	0.301	C	S	.	.			trans	-77.4	64.7	165.5	-56.4	-59.3	113.9	0	0	109.2	L832 C855 Y857 L868 F948 R949 R950 E954 D955	L832-M952 HydrophobicContact CD1-CE 4.42Å; L832-M952 HydrophobicContact CD2-CE 4.29Å; L832-M952 HydrophobicContact CD2-SD 4.17Å; C855-M952 CarbonylContact O-C 3.39Å; C855-M952 VanDerWaalsContact O-CA 3.29Å; C855-M952 WeakPolarHBondContact O-CA 3.45Å; Y857-M952 HydrophobicContact CD2-CG 4.43Å; L868-M952 HydrophobicContact CD1-CE 3.39Å; F948-M952 HydrophobicContact CD2-CE 4.31Å; F948-M952 HydrophobicContact CE1-CE 3.88Å; F948-M952 HydrophobicContact CE2-CE 3.6Å; F948-M952 HydrophobicContact CZ-CE 3.36Å; F948-M952 HydrophobicContact CZ-SD 4.41Å; R949-M952 WeakPolarHBondContact O-CB 3.5Å; R949-M952 PolarHBondContact O-N 2.96Å; R950-M952 VanDerWaalsContact C-N 3.29Å; M952-E954 PolarHBondContact O-N 3.39Å; M952-D955 HydrophobicContact CB-CB 4.49Å; M952-D955 WeakPolarHBondContact CB-OD2 3.24Å; M952-D955 WeakPolarHBondContact O-CB 3.48Å; M952-D955 PolarHBondContact O-N 3.45Å
953	V	94.9	Very high	88.4	Confident	9 Å²	9	59.2 Å²	59.2	6%	0.055	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.1	-164.3	-67.8	0	0	0	0	114.6	C791 K794 Y829 C855 F951 D955	C791-V953 HydrophobicContact CB-CB 4.23Å; C791-V953 HydrophobicContact CB-CG2 4.33Å; C791-V953 VanDerWaalsContact SG-CG2 3.56Å; K794-V953 PolarHBondContact NZ-O 3.3Å; Y829-V953 HydrophobicContact CD2-CG2 3.84Å; Y829-V953 HydrophobicContact CE2-CG2 3.96Å; C855-V953 HydrophobicContact CB-CG2 3.92Å; C855-V953 PolarHBondContact O-N 3.45Å; F951-V953 PolarHBondContact O-N 3.43Å; V953-D955 VanDerWaalsContact C-N 3.35Å
954	E	95.9	Very high	88.8	Confident	13 Å²	13	50.5 Å²	50.5	6%	0.061	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-19.3	173.6	-61.1	-167.7	-156.7	0	0	113.2	L787 Y829 R854 C855 M952 S963 Y964	L787-E954 HydrophobicContact CD1-CG 4.12Å; Y829-E954 HydrophobicContact CE2-CG 4.14Å; Y829-E954 PolarHBondContact OH-OE1 2.96Å; R854-E954 WeakPolarHBondContact CB-OE1 3.46Å; R854-E954 IonicContact CZ-OE1 2.73Å; R854-E954 IonicContact CZ-OE2 3.38Å; R854-E954 IonicContact NE-OE1 2.94Å; R854-E954 PolarHBondContact NE-OE1 3.4Å; R854-E954 IonicContact NE-OE2 2.67Å; R854-E954 PolarHBondContact NE-OE2 3.06Å; R854-E954 IonicContact NH2-OE1 3.14Å; R854-E954 IonicContact NH2-OE2 3.66Å; R854-E954 PolarHBondContact NH2-OE2 2.95Å; C855-E954 WeakPolarHBondContact O-CB 3.38Å; C855-E954 PolarHBondContact O-N 3.19Å; C855-E954 VanDerWaalsContact O-N 3.16Å; M952-E954 PolarHBondContact O-N 3.39Å; E954-S963 CarbonylContact O-C 3.58Å; E954-S963 WeakPolarHBondContact O-CA 3.49Å; E954-Y964 PolarHBondContact O-N 2.85Å
955	D	94.5	Very high	89	Confident	32 Å²	32	51 Å²	51	17%	0.171	27%	0.265	C	S	.	.	S	Bend	trans	-93.4	176.7	-176.5	-56.4	-26.1	0	0	0	112.5	K794 S856 Y857 M952 V953 C957	K794-D955 PolarHBondContact NZ-O 3.35Å; S856-D955 WeakPolarHBondContact CA-OD2 3.35Å; S856-D955 VanDerWaalsContact CB-OD1 3.28Å; S856-D955 WeakPolarHBondContact CB-OD1 3.24Å; S856-D955 PolarHBondContact OG-OD1 3.17Å; S856-D955 PolarHBondContact OG-OD2 2.93Å; Y857-D955 WeakPolarHBondContact CB-OD2 3.45Å; Y857-D955 PolarHBondContact N-OD2 3.21Å; M952-D955 HydrophobicContact CB-CB 4.49Å; M952-D955 WeakPolarHBondContact CB-OD2 3.24Å; M952-D955 WeakPolarHBondContact O-CB 3.48Å; M952-D955 PolarHBondContact O-N 3.45Å; V953-D955 VanDerWaalsContact C-N 3.35Å; D955-C957 PolarHBondContact O-N 2.65Å
956	R	92	Very high	89.2	Confident	132 Å²	132	53.6 Å²	53.6	50%	0.498	28%	0.277	S	S	.	.			trans	-75.6	117.3	166.4	-67.2	177.5	169.5	-108.9	15.5	109.5	S961 E966	R956-S961 WeakPolarHBondContact CA-OG 3.5Å; R956-S961 PolarHBondContact NH1-O 2.93Å; R956-E966 VanDerWaalsContact CZ-CD 3.48Å; R956-E966 IonicContact CZ-OE1 3.7Å; R956-E966 IonicContact CZ-OE2 3.89Å; R956-E966 VanDerWaalsContact NE-CD 3.34Å; R956-E966 IonicContact NE-OE1 2.64Å; R956-E966 PolarHBondContact NE-OE1 3.01Å; R956-E966 IonicContact NE-OE2 3.06Å; R956-E966 PolarHBondContact NE-OE2 3.29Å; R956-E966 IonicContact NH1-OE2 3.16Å; R956-E966 IonicContact NH2-OE1 2.65Å; R956-E966 PolarHBondContact NH2-OE1 3.45Å; R956-E966 IonicContact NH2-OE2 2.95Å; R956-E966 PolarHBondContact NH2-OE2 3Å
957	C	79.8	Confident	89.5	Confident	45 Å²	45	47.5 Å²	47.5	30%	0.304	25%	0.245	S	C	.	.	S	Bend	trans	-79.7	-25.9	174.2	-53.9	0	0	0	0	113.1	D955 S961	D955-C957 PolarHBondContact O-N 2.65Å; C957-S961 PolarHBondContact N-OG 3.49Å
958	S	75.9	Confident	89.8	Confident	67 Å²	67	45.7 Å²	45.7	47%	0.469	24%	0.239	S	C	.	.	S	Bend	trans	-151	168.7	177.7	71	0	0	0	0	110.6	N960 S961	S958-N960 PolarHBondContact O-N 3.09Å; S958-N960 VanDerWaalsContact O-N 3.14Å; S958-S961 PolarHBondContact N-OG 3.35Å; S958-S961 PolarHBondContact O-N 3.37Å; S958-S961 PolarHBondContact O-OG 3.3Å; S958-S961 PolarHBondContact OG-N 3.48Å
959	S	71.9	Confident	89.9	Confident	103 Å²	103	48.2 Å²	48.2	72%	0.72	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-31.1	178.4	57.8	0	0	0	0	113.6
960	N	75	Confident	90	Very high	150 Å²	150	46.4 Å²	46.4	80%	0.802	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-11.4	-178.2	-63.6	-7.3	0	0	0	112.9	S958	S958-N960 PolarHBondContact O-N 3.09Å; S958-N960 VanDerWaalsContact O-N 3.14Å
961	S	83.8	Confident	90.3	Very high	19 Å²	19	43.7 Å²	43.7	13%	0.133	24%	0.242	C	C	.	.			trans	-80.6	154.8	173.7	75.4	0	0	0	0	111.2	R956 C957 S958	R956-S961 WeakPolarHBondContact CA-OG 3.5Å; R956-S961 PolarHBondContact NH1-O 2.93Å; C957-S961 PolarHBondContact N-OG 3.49Å; S958-S961 PolarHBondContact N-OG 3.35Å; S958-S961 PolarHBondContact O-N 3.37Å; S958-S961 PolarHBondContact O-OG 3.3Å; S958-S961 PolarHBondContact OG-N 3.48Å
962	I	90.5	Very high	90.3	Very high	59 Å²	59	44.8 Å²	44.8	30%	0.303	25%	0.247	S	C	.	.			trans	-106.6	145.2	178.2	55.8	-179.2	0	0	0	110.3	Q790 K794 E966 Y967	Q790-I962 PolarHBondContact NE2-O 3.21Å; K794-I962 VanDerWaalsContact CE-O 3.24Å; K794-I962 WeakPolarHBondContact CE-O 3.47Å; K794-I962 PolarHBondContact NZ-O 2.84Å; I962-E966 WeakPolarHBondContact CA-OE2 3.48Å; I962-E966 HydrophobicContact CB-CB 4.2Å; I962-Y967 HydrophobicContact CD1-CD2 3.27Å; I962-Y967 HydrophobicContact CD1-CE2 4.16Å; I962-Y967 HydrophobicContact CD1-CG 3.87Å; I962-Y967 HydrophobicContact CG1-CD2 4.47Å
963	S	94	Very high	90.3	Very high	22 Å²	22	51.5 Å²	51.5	15%	0.154	28%	0.277	C	S	.	.			trans	-77.5	166.2	171.5	70.5	0	0	0	0	111.6	Q790 E954 T965 E966 Y967	Q790-S963 PolarHBondContact NE2-O 3.41Å; E954-S963 CarbonylContact O-C 3.58Å; E954-S963 WeakPolarHBondContact O-CA 3.49Å; S963-T965 VanDerWaalsContact C-N 3.32Å; S963-T965 PolarHBondContact O-N 3.16Å; S963-E966 PolarHBondContact N-OE2 2.92Å; S963-E966 PolarHBondContact O-N 3.18Å; S963-E966 VanDerWaalsContact OG-CD 3.23Å; S963-E966 VanDerWaalsContact OG-CG 3.29Å; S963-E966 WeakPolarHBondContact OG-CG 3.29Å; S963-E966 PolarHBondContact OG-N 3.25Å; S963-E966 PolarHBondContact OG-OE2 3.41Å; S963-Y967 PolarHBondContact O-N 3.44Å
964	Y	95	Very high	90.4	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-57.6	-45.2	179.3	174.5	-148	0	0	0	112.2	L177 P178 L787 E954 E966 Y967 L968	L177-Y964 HydrophobicContact CB-CD1 4.41Å; L177-Y964 HydrophobicContact CB-CE1 3.77Å; L177-Y964 HydrophobicContact CD1-CD1 3.89Å; L177-Y964 HydrophobicContact CD1-CE1 4.02Å; L177-Y964 HydrophobicContact CG-CE1 4.49Å; P178-Y964 PolarHBondContact O-OH 3.23Å; P178-Y964 VanDerWaalsContact O-OH 3.12Å; L787-Y964 HydrophobicContact CB-CD2 4.01Å; L787-Y964 HydrophobicContact CB-CE1 4.47Å; L787-Y964 HydrophobicContact CB-CE2 3.56Å; L787-Y964 HydrophobicContact CD1-CD1 4.09Å; L787-Y964 HydrophobicContact CD1-CD2 3.77Å; L787-Y964 HydrophobicContact CD1-CE1 4.43Å; L787-Y964 HydrophobicContact CD1-CE2 4.17Å; L787-Y964 HydrophobicContact CD1-CG 3.74Å; L787-Y964 HydrophobicContact CD2-CD1 4.33Å; L787-Y964 HydrophobicContact CD2-CE1 3.99Å; L787-Y964 HydrophobicContact CG-CD2 4.38Å; L787-Y964 HydrophobicContact CG-CE2 4.29Å; E954-Y964 PolarHBondContact O-N 2.85Å; Y964-E966 VanDerWaalsContact C-N 3.3Å; Y964-E966 PolarHBondContact O-N 3.04Å; Y964-Y967 PolarHBondContact O-N 3.19Å; Y964-L968 HydrophobicContact CD2-CD1 3.95Å; Y964-L968 HydrophobicContact CD2-CG 3.86Å; Y964-L968 HydrophobicContact CE1-CD1 4.24Å; Y964-L968 HydrophobicContact CE2-CD1 3.39Å; Y964-L968 HydrophobicContact CE2-CD2 3.85Å; Y964-L968 HydrophobicContact CE2-CG 3.43Å; Y964-L968 VanDerWaalsContact CE2-CG 3.43Å; Y964-L968 PolarHBondContact O-N 3.21Å
965	T	93.4	Very high	90.3	Very high	39 Å²	39	54.1 Å²	54.1	24%	0.239	29%	0.288	C	S	.	.	H	α-helix	trans	-59	-41.7	176.8	-49.4	0	0	0	0	112	I172 L177 S963 C969	I172-T965 HydrophobicContact CB-CG2 3.87Å; I172-T965 HydrophobicContact CD1-CG2 4.11Å; I172-T965 HydrophobicContact CG1-CG2 4.5Å; I172-T965 HydrophobicContact CG2-CG2 4.26Å; L177-T965 WeakPolarHBondContact CD1-OG1 3.4Å; S963-T965 VanDerWaalsContact C-N 3.32Å; S963-T965 PolarHBondContact O-N 3.16Å; T965-C969 PolarHBondContact O-N 2.71Å; T965-C969 PolarHBondContact O-SG 3.4Å; T965-C969 VanDerWaalsContact O-SG 3.4Å
966	E	94.5	Very high	90.2	Very high	66 Å²	66	54 Å²	54	31%	0.308	29%	0.29	S	S	.	.	H	α-helix	trans	-69.4	-39.3	178.5	-69.8	163.2	173.3	0	0	112.2	R956 I962 S963 Y964 C969 H970	R956-E966 VanDerWaalsContact CZ-CD 3.48Å; R956-E966 IonicContact CZ-OE1 3.7Å; R956-E966 IonicContact CZ-OE2 3.89Å; R956-E966 VanDerWaalsContact NE-CD 3.34Å; R956-E966 IonicContact NE-OE1 2.64Å; R956-E966 PolarHBondContact NE-OE1 3.01Å; R956-E966 IonicContact NE-OE2 3.06Å; R956-E966 PolarHBondContact NE-OE2 3.29Å; R956-E966 IonicContact NH1-OE2 3.16Å; R956-E966 IonicContact NH2-OE1 2.65Å; R956-E966 PolarHBondContact NH2-OE1 3.45Å; R956-E966 IonicContact NH2-OE2 2.95Å; R956-E966 PolarHBondContact NH2-OE2 3Å; I962-E966 WeakPolarHBondContact CA-OE2 3.48Å; I962-E966 HydrophobicContact CB-CB 4.2Å; S963-E966 PolarHBondContact N-OE2 2.92Å; S963-E966 PolarHBondContact O-N 3.18Å; S963-E966 VanDerWaalsContact OG-CD 3.23Å; S963-E966 VanDerWaalsContact OG-CG 3.29Å; S963-E966 WeakPolarHBondContact OG-CG 3.29Å; S963-E966 PolarHBondContact OG-N 3.25Å; S963-E966 PolarHBondContact OG-OE2 3.41Å; Y964-E966 VanDerWaalsContact C-N 3.3Å; Y964-E966 PolarHBondContact O-N 3.04Å; E966-C969 WeakPolarHBondContact O-CB 3.44Å; E966-C969 PolarHBondContact O-N 2.87Å; E966-H970 PolarHBondContact O-N 3.31Å
967	Y	95.5	Very high	90.2	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-67.5	-38.4	177.3	-171.6	-120	0	0	0	112.2	T748 P786 I789 Q790 M793 I962 S963 Y964 C969 H970 I971	T748-Y967 WeakPolarHBondContact CA-OH 3.38Å; T748-Y967 HydrophobicContact CG2-CE2 4.02Å; T748-Y967 PolarHBondContact OG1-OH 3.02Å; P786-Y967 HydrophobicContact CB-CD1 4.47Å; P786-Y967 HydrophobicContact CB-CE1 4.46Å; P786-Y967 WeakPolarHBondContact O-CD1 3.43Å; P786-Y967 WeakPolarHBondContact O-CE1 3.44Å; I789-Y967 HydrophobicContact CB-CE1 4.34Å; I789-Y967 HydrophobicContact CG2-CE1 4.16Å; I789-Y967 WeakPolarHBondContact CG2-OH 3.34Å; Q790-Y967 HydrophobicContact CB-CD1 3.66Å; Q790-Y967 HydrophobicContact CB-CE1 4.02Å; Q790-Y967 HydrophobicContact CB-CG 4.15Å; Q790-Y967 HydrophobicContact CG-CD1 4.35Å; Q790-Y967 HydrophobicContact CG-CG 4.36Å; M793-Y967 HydrophobicContact CE-CD2 4.46Å; M793-Y967 HydrophobicContact CE-CE1 4.23Å; M793-Y967 HydrophobicContact CE-CE2 3.7Å; M793-Y967 WeakPolarHBondContact CE-OH 3.4Å; I962-Y967 HydrophobicContact CD1-CD2 3.27Å; I962-Y967 HydrophobicContact CD1-CE2 4.16Å; I962-Y967 HydrophobicContact CD1-CG 3.87Å; I962-Y967 HydrophobicContact CG1-CD2 4.47Å; S963-Y967 PolarHBondContact O-N 3.44Å; Y964-Y967 PolarHBondContact O-N 3.19Å; Y967-C969 VanDerWaalsContact C-N 3.32Å; Y967-C969 PolarHBondContact O-N 3.17Å; Y967-H970 WeakPolarHBondContact O-CB 3.47Å; Y967-H970 PolarHBondContact O-N 3.3Å; Y967-H970 VanDerWaalsContact O-N 3.14Å; Y967-I971 HydrophobicContact CD1-CG1 4.01Å; Y967-I971 HydrophobicContact CD2-CG1 4.32Å; Y967-I971 HydrophobicContact CE1-CD1 4.09Å; Y967-I971 HydrophobicContact CE1-CG1 3.61Å; Y967-I971 HydrophobicContact CE2-CD1 4.25Å; Y967-I971 HydrophobicContact CE2-CG1 4Å; Y967-I971 HydrophobicContact CG-CG1 4.38Å; Y967-I971 WeakPolarHBondContact O-CB 3.32Å; Y967-I971 WeakPolarHBondContact O-CG1 3.22Å; Y967-I971 PolarHBondContact O-N 2.73Å
968	L	94.8	Very high	90.9	Very high	18 Å²	18	52.3 Å²	52.3	9%	0.094	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-43.2	172.4	-78.9	174.2	0	0	0	111.9	L177 L776 P786 Y964 H970 I971 H972	L177-L968 HydrophobicContact CD1-CD1 4.25Å; L177-L968 HydrophobicContact CD2-CD1 3.58Å; L177-L968 HydrophobicContact CG-CD1 4.39Å; L776-L968 HydrophobicContact CD2-CD2 4.03Å; P786-L968 HydrophobicContact CB-CD2 3.72Å; P786-L968 HydrophobicContact CG-CD2 3.95Å; Y964-L968 HydrophobicContact CD2-CD1 3.95Å; Y964-L968 HydrophobicContact CD2-CG 3.86Å; Y964-L968 HydrophobicContact CE1-CD1 4.24Å; Y964-L968 HydrophobicContact CE2-CD1 3.39Å; Y964-L968 HydrophobicContact CE2-CD2 3.85Å; Y964-L968 HydrophobicContact CE2-CG 3.43Å; Y964-L968 VanDerWaalsContact CE2-CG 3.43Å; Y964-L968 PolarHBondContact O-N 3.21Å; L968-H970 VanDerWaalsContact C-N 3.31Å; L968-H970 PolarHBondContact O-N 3.07Å; L968-I971 PolarHBondContact O-N 3.22Å; L968-H972 WeakPolarHBondContact O-CB 3.29Å; L968-H972 PolarHBondContact O-N 3.2Å
969	C	94.2	Very high	91.4	Very high	53 Å²	53	52 Å²	52	36%	0.358	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-39.7	174	-72.5	0	0	0	0	112	T965 E966 Y967 K973	T965-C969 PolarHBondContact O-N 2.71Å; T965-C969 PolarHBondContact O-SG 3.4Å; T965-C969 VanDerWaalsContact O-SG 3.4Å; E966-C969 WeakPolarHBondContact O-CB 3.44Å; E966-C969 PolarHBondContact O-N 2.87Å; Y967-C969 VanDerWaalsContact C-N 3.32Å; Y967-C969 PolarHBondContact O-N 3.17Å; C969-K973 WeakPolarHBondContact O-CG 3.31Å; C969-K973 PolarHBondContact O-N 2.9Å
970	H	95.2	Very high	91.8	Very high	71 Å²	71	57.3 Å²	57.3	33%	0.329	30%	0.3	S	S	.	.	H	α-helix	trans	-66.5	-50.3	176.6	179.1	42.7	0	0	0	111.8	E966 Y967 L968 H972 K973 E974	E966-H970 PolarHBondContact O-N 3.31Å; Y967-H970 WeakPolarHBondContact O-CB 3.47Å; Y967-H970 PolarHBondContact O-N 3.3Å; Y967-H970 VanDerWaalsContact O-N 3.14Å; L968-H970 VanDerWaalsContact C-N 3.31Å; L968-H970 PolarHBondContact O-N 3.07Å; H970-H972 VanDerWaalsContact C-N 3.26Å; H970-H972 PolarHBondContact O-N 3.05Å; H970-K973 WeakPolarHBondContact O-CA 3.48Å; H970-K973 WeakPolarHBondContact O-CB 3.49Å; H970-K973 PolarHBondContact O-N 3.03Å; H970-E974 IonicContact CE1-OE1 3.21Å; H970-E974 PolarHBondContact CE1-OE1 3.11Å; H970-E974 IonicContact ND1-OE1 3.76Å; H970-E974 PolarHBondContact O-N 3Å
971	I	95.9	Very high	92.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57	-41	175.6	-75.6	-68.5	0	0	0	111.2	T748 A751 L755 L776 Y967 L968 K973 E974 V975	T748-I971 HydrophobicContact CG2-CD1 3.81Å; A751-I971 HydrophobicContact CB-CD1 4.02Å; L755-I971 HydrophobicContact CD1-CG2 3.68Å; L776-I971 HydrophobicContact CD2-CG2 4.16Å; Y967-I971 HydrophobicContact CD1-CG1 4.01Å; Y967-I971 HydrophobicContact CD2-CG1 4.32Å; Y967-I971 HydrophobicContact CE1-CD1 4.09Å; Y967-I971 HydrophobicContact CE1-CG1 3.61Å; Y967-I971 HydrophobicContact CE2-CD1 4.25Å; Y967-I971 HydrophobicContact CE2-CG1 4Å; Y967-I971 HydrophobicContact CG-CG1 4.38Å; Y967-I971 WeakPolarHBondContact O-CB 3.32Å; Y967-I971 WeakPolarHBondContact O-CG1 3.22Å; Y967-I971 PolarHBondContact O-N 2.73Å; L968-I971 PolarHBondContact O-N 3.22Å; I971-K973 VanDerWaalsContact C-N 3.31Å; I971-K973 PolarHBondContact O-N 2.86Å; I971-E974 PolarHBondContact O-N 3.26Å; I971-V975 HydrophobicContact CG2-CG2 4.13Å; I971-V975 WeakPolarHBondContact O-CB 3.39Å; I971-V975 WeakPolarHBondContact O-CG2 3.48Å; I971-V975 PolarHBondContact O-N 2.92Å
972	H	94.5	Very high	93.1	Very high	39 Å²	39	54.5 Å²	54.5	18%	0.181	28%	0.282	C	S	.	.	H	α-helix	trans	-62.1	-38.8	176.5	-175.2	57.1	0	0	0	112.3	L776 L968 H970 S976	L776-H972 HydrophobicContact CB-CB 4.26Å; L776-H972 HydrophobicContact CD1-CB 4.47Å; L776-H972 HydrophobicContact CD2-CB 4.33Å; L968-H972 WeakPolarHBondContact O-CB 3.29Å; L968-H972 PolarHBondContact O-N 3.2Å; H970-H972 VanDerWaalsContact C-N 3.26Å; H970-H972 PolarHBondContact O-N 3.05Å; H972-S976 VanDerWaalsContact O-CB 3.31Å; H972-S976 WeakPolarHBondContact O-CB 3.38Å; H972-S976 PolarHBondContact O-N 2.94Å; H972-S976 PolarHBondContact O-OG 3.36Å
973	K	95.2	Very high	93.2	Very high	142 Å²	142	54.2 Å²	54.2	62%	0.617	28%	0.281	S	S	*	.	H	α-helix	trans	-64.1	-46.5	173.9	-70.4	172.6	-178	178.5	0	112	C969 H970 I971 S976 S977	C969-K973 WeakPolarHBondContact O-CG 3.31Å; C969-K973 PolarHBondContact O-N 2.9Å; H970-K973 WeakPolarHBondContact O-CA 3.48Å; H970-K973 WeakPolarHBondContact O-CB 3.49Å; H970-K973 PolarHBondContact O-N 3.03Å; I971-K973 VanDerWaalsContact C-N 3.31Å; I971-K973 PolarHBondContact O-N 2.86Å; K973-S976 PolarHBondContact O-N 3.12Å; K973-S977 PolarHBondContact O-N 2.97Å
974	E	96	Very high	93.2	Very high	72 Å²	72	56.1 Å²	56.1	34%	0.336	29%	0.288	S	S	.	.	H	α-helix	trans	-61.2	-47.2	177.6	-65.4	-56	135.7	0	0	111.5	A752 H970 I971 S976 S977 L978	A752-E974 HydrophobicContact CB-CB 3.64Å; H970-E974 IonicContact CE1-OE1 3.21Å; H970-E974 PolarHBondContact CE1-OE1 3.11Å; H970-E974 IonicContact ND1-OE1 3.76Å; H970-E974 PolarHBondContact O-N 3Å; I971-E974 PolarHBondContact O-N 3.26Å; E974-S976 VanDerWaalsContact C-N 3.33Å; E974-S976 PolarHBondContact O-N 2.84Å; E974-S977 WeakPolarHBondContact O-CB 3.34Å; E974-S977 PolarHBondContact O-N 3.26Å; E974-L978 WeakPolarHBondContact O-CG 3.47Å; E974-L978 PolarHBondContact O-N 3.48Å
975	V	94.5	Very high	93.1	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.024	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-45.2	176	170.2	0	0	0	0	110.8	A752 L755 A756 L776 I971 S977 L978 L979	A752-V975 HydrophobicContact CB-CG2 4.23Å; L755-V975 HydrophobicContact CB-CG2 3.81Å; A756-V975 HydrophobicContact CB-CG1 4.17Å; L776-V975 HydrophobicContact CD1-CB 4.47Å; L776-V975 HydrophobicContact CD1-CG1 4.45Å; L776-V975 HydrophobicContact CD1-CG2 4.3Å; I971-V975 HydrophobicContact CG2-CG2 4.13Å; I971-V975 WeakPolarHBondContact O-CB 3.39Å; I971-V975 WeakPolarHBondContact O-CG2 3.48Å; I971-V975 PolarHBondContact O-N 2.92Å; V975-S977 VanDerWaalsContact C-N 3.31Å; V975-S977 PolarHBondContact O-N 3.08Å; V975-L978 PolarHBondContact O-N 3.16Å; V975-L979 HydrophobicContact CG1-CD1 3.93Å; V975-L979 VanDerWaalsContact O-CG 3.29Å; V975-L979 WeakPolarHBondContact O-CG 3.37Å; V975-L979 PolarHBondContact O-N 3.14Å; V975-L979 VanDerWaalsContact O-N 3.16Å
976	S	92	Very high	93	Very high	31 Å²	31	60.9 Å²	60.9	22%	0.217	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-40.7	178.4	-58.3	0	0	0	0	111.3	H972 K973 E974 L978 L979 H980	H972-S976 VanDerWaalsContact O-CB 3.31Å; H972-S976 WeakPolarHBondContact O-CB 3.38Å; H972-S976 PolarHBondContact O-N 2.94Å; H972-S976 PolarHBondContact O-OG 3.36Å; K973-S976 PolarHBondContact O-N 3.12Å; E974-S976 VanDerWaalsContact C-N 3.33Å; E974-S976 PolarHBondContact O-N 2.84Å; S976-L978 VanDerWaalsContact C-N 3.27Å; S976-L978 PolarHBondContact O-N 2.88Å; S976-L979 PolarHBondContact O-N 2.92Å; S976-H980 PolarHBondContact O-CD2 3.09Å; S976-H980 PolarHBondContact O-N 3.03Å
977	S	93.5	Very high	92.9	Very high	79 Å²	79	60.5 Å²	60.5	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-64.8	-28.2	176.4	-170.5	0	0	0	0	113.6	K973 E974 V975 H980	K973-S977 PolarHBondContact O-N 2.97Å; E974-S977 WeakPolarHBondContact O-CB 3.34Å; E974-S977 PolarHBondContact O-N 3.26Å; V975-S977 VanDerWaalsContact C-N 3.31Å; V975-S977 PolarHBondContact O-N 3.08Å; S977-H980 VanDerWaalsContact O-OXT 3.12Å
978	L	93	Very high	92.7	Very high	62 Å²	62	65.1 Å²	65.1	33%	0.325	33%	0.334	S	S	.	.	H	α-helix	trans	-83.7	-16.8	176.9	-70.2	168	0	0	0	113.1	A752 N753 A756 R760 E974 V975 S976	A752-L978 HydrophobicContact CB-CD1 3.88Å; N753-L978 WeakPolarHBondContact OD1-CD1 3.21Å; A756-L978 HydrophobicContact CB-CB 3.97Å; A756-L978 HydrophobicContact CB-CD1 4.2Å; R760-L978 PolarHBondContact NH2-O 2.8Å; E974-L978 WeakPolarHBondContact O-CG 3.47Å; E974-L978 PolarHBondContact O-N 3.48Å; V975-L978 PolarHBondContact O-N 3.16Å; S976-L978 VanDerWaalsContact C-N 3.27Å; S976-L978 PolarHBondContact O-N 2.88Å
979	L	86.9	Confident	92.6	Very high	61 Å²	61	69 Å²	69	32%	0.319	35%	0.354	S	S	.	.	H	α-helix	trans	-88.1	-25.8	177.7	-69.6	170.6	0	0	0	112.5	A756 R759 R760 V975 S976	A756-L979 HydrophobicContact CB-CD2 4.4Å; A756-L979 HydrophobicContact CB-CG 4.48Å; R759-L979 HydrophobicContact CB-CD1 4.11Å; R759-L979 HydrophobicContact CB-CD2 4.4Å; R759-L979 HydrophobicContact CG-CD1 3.55Å; R759-L979 HydrophobicContact CG-CD2 4.33Å; R760-L979 HydrophobicContact CB-CD2 4.12Å; V975-L979 HydrophobicContact CG1-CD1 3.93Å; V975-L979 VanDerWaalsContact O-CG 3.29Å; V975-L979 WeakPolarHBondContact O-CG 3.37Å; V975-L979 PolarHBondContact O-N 3.14Å; V975-L979 VanDerWaalsContact O-N 3.16Å; S976-L979 PolarHBondContact O-N 2.92Å
980	H	80	Confident	92.4	Very high	214 Å²	214	70.5 Å²	70.5	99%	0.991	35%	0.354	S	S	*	.			trans	-86.1	0	168.7	-64.4	-51.9	0	0	0	111	S976 S977	S976-H980 PolarHBondContact O-CD2 3.09Å; S976-H980 PolarHBondContact O-N 3.03Å; S977-H980 VanDerWaalsContact O-OXT 3.12Å

Retrieved 980 of 980 residues in 294.1 ms (Link to these results)

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