A0A5K4F6L7_SCHMA Loading...

RNB domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6L7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,026 aa.

						>A0A5K4F6L7_SCHMA|A0A5K4F6L7
MWLSVQNPLRCRWVKPAGFSFRPYHNINNKVRRTSPVIGCWKFFGSLSSRSVPFGDSTNQHSRQGKKKADFNCENIDAHLKKGSLIQAKLHEIPRGVCYVINPYDGKRIHISHENCNNARNEDIVLVELLPIGKWKLTGIENLEPQEKDISDSETVISDTIQSTDESSVLDSPVDSSFEAVVASESPILADQTPSTTIEFKKFRVYSINYVMENSQNITDTELLNTIKSLDLSYIPSALCPLPNPHLVRTGVVRKILKLNPANQKFLGCLAFYPNILNRVSEVSPKDDHFSCVLLPSSSRHPLVHIDPSTVPSDALKDHQLGLKSSYVCRITKWFENSKYPHGVIEQNFGNLNELEKATENILLEYGITDDQFTPEELQGLPTSPQEFQIPKIEYERRRDFRSHCVITIDPKDAKDFDDALHITRLNNGLYQVGIHIADVSYFVYPNSPLDKRAADRTTSVYLVQKVIPMLPPILSQHLCSLVPNEDRLAFSILLTVKENGEIVDEWFGRSIIRSRCRLTYDEAWSIIQMTQSNPAIEDKSCLLEFLPKPEAPFTFEDLQHCLSSLHLIAQNLRSHRIENGAVSLEKLELNFNFPKPLSVMEKCTNECSTTRWPQGFSVKVRNPAHHLIEEWMIVANQSVARFLFGNFIKRLKGVRPFELNVAMDNNDNNNHRWLGATLRNHPKPEKSRFNHLMKIAKSNNIDFDPSNSLSLSCSVKTLAHTIAEKNSYNESFLLDLIYCLSYMTYVRLSVALYFNLDTMYNILSKRYDKQNLLENISYDDHFLRMLSFDPQSILQQNNITMLNYTWHYGLSIPLYTHFTSPIRRYADLMVHRQIARILGCDNYVYPELQISFQSNDDSIQKDIKDSDIDLLVAWCNDRRLKARRAGEASQHLFLTACLRDYGPFYENGTVMDLSANKIRILIASFGLTIETEIKDFLKNVFKWKHNATVEANDPDKGLSNNGLISRKTYTITFTWDNTENQSVQNSKQSEISILSILPCRVFCHQNTLTPLVELVTSNHISNQNV
					

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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	26.6	Very low	26.7	Very low	239 Å²	239	159.9 Å²	159.9	100%	1.177	82%	0.816	S	S	*	*				0	79.5	0	-71.3	173.3	166.7	0	0	107.3
2	W	23.1	Very low	26.5	Very low	233 Å²	233	166.4 Å²	166.4	88%	0.883	82%	0.823	S	S	*	*				55.7	94.3	79.9	-82.8	61.1	0	0	0	115.9
3	L	26.2	Very low	26.3	Very low	128 Å²	128	173 Å²	173	67%	0.67	83%	0.833	S	S	*	*				72.3	121.4	125.4	-81.4	159	0	0	0	124.6
4	S	25.2	Very low	26.2	Very low	99 Å²	99	170.2 Å²	170.2	69%	0.692	83%	0.831	S	S	*	*			trans	63.5	142.6	131.9	68.8	0	0	0	0	119.9
5	V	28.8	Very low	26.1	Very low	125 Å²	125	171.4 Å²	171.4	76%	0.758	83%	0.831	S	S	*	*				-169.6	148.1	64.3	169.2	0	0	0	0	112.6
6	Q	29	Very low	26.5	Very low	176 Å²	176	168.4 Å²	168.4	82%	0.822	83%	0.829	S	S	*	*			trans	-12.7	130.5	162.4	-59.4	173.4	-24.3	0	0	125.3
7	N	22.1	Very low	26.7	Very low	156 Å²	156	164.2 Å²	164.2	83%	0.834	83%	0.827	S	S	*	*				34.9	169.3	116.7	-96.7	-14.3	0	0	0	123.6
8	P	37.6	Very low	26.7	Very low	102 Å²	102	158.7 Å²	158.7	66%	0.662	82%	0.818	S	S	*	*			cis	-141.2	-178.7	-28	37.2	-17.8	0	0	0	114.7
9	L	26.9	Very low	26.7	Very low	156 Å²	156	161.8 Å²	161.8	82%	0.817	83%	0.825	S	S	*	*			trans	179.4	114.3	136.7	-94.7	169.1	0	0	0	115.8
10	R	23.6	Very low	26.5	Very low	225 Å²	225	158.2 Å²	158.2	85%	0.849	82%	0.815	S	S	*	*			trans	27.1	130.7	143	-70.5	178.3	172.3	175.2	-1.4	124.4
11	C	24.8	Very low	26.6	Very low	120 Å²	120	159.7 Å²	159.7	81%	0.811	82%	0.816	S	S	*	*				-175.1	103.3	110	-96.3	0	0	0	0	110.9
12	R	24.6	Very low	26.5	Very low	238 Å²	238	159.1 Å²	159.1	90%	0.898	80%	0.801	S	S	*	*				87.4	101.8	99.4	-110	-175.6	-176.9	176.4	1.3	115.4
13	W	23.1	Very low	27	Very low	252 Å²	252	153.2 Å²	153.2	96%	0.955	79%	0.793	S	S	*	*			trans	-103.8	146.4	162	-79.2	76.7	0	0	0	110
14	V	25.3	Very low	26.9	Very low	134 Å²	134	157.3 Å²	157.3	81%	0.812	80%	0.801	S	S	*	*			trans	-107.9	126.9	169.4	177.5	0	0	0	0	108.6
15	K	25.1	Very low	26.9	Very low	188 Å²	188	159.9 Å²	159.9	82%	0.817	80%	0.802	S	S	*	*			trans	-106.9	166.4	162.2	-81.1	-171.9	176.1	-178.6	0	108.6
16	P	32.1	Very low	26.7	Very low	123 Å²	123	160.5 Å²	160.5	80%	0.799	80%	0.801	S	S	*	*				-137.7	132.4	103.2	23.5	-3.8	0	0	0	112.3
17	A	29.6	Very low	26.6	Very low	98 Å²	98	159.9 Å²	159.9	81%	0.81	80%	0.801	S	S	*	*				74	127	97	0	0	0	0	0	112
18	G	26.8	Very low	26.7	Very low	64 Å²	64	159.1 Å²	159.1	66%	0.66	80%	0.797	S	S	*	*			cis	160.2	139.2	6.9	0	0	0	0	0	105.9
19	F	27.2	Very low	26.1	Very low	218 Å²	218	160.8 Å²	160.8	96%	0.956	80%	0.8	S	S	*	*			trans	174.8	116	140.4	-102.3	-73.7	0	0	0	108.4
20	S	22.7	Very low	25.9	Very low	89 Å²	89	162.1 Å²	162.1	62%	0.622	80%	0.8	S	S	*	*			trans	-88.7	145.6	169.8	51.4	0	0	0	0	109.7
21	F	27.3	Very low	26.1	Very low	191 Å²	191	158.5 Å²	158.5	84%	0.838	80%	0.802	S	S	*	*				-171	156.8	113	-111.7	-85.5	0	0	0	112.4
22	R	25.8	Very low	26.1	Very low	226 Å²	226	163.3 Å²	163.3	85%	0.853	80%	0.803	S	S	*	*			trans	-62.2	168.5	-160.3	-81.3	178.5	179	-162	-0.4	119.3
23	P	32.6	Very low	26	Very low	109 Å²	109	163 Å²	163	71%	0.708	80%	0.802	S	S	*	*			trans	-96.2	163.2	-170	39.3	-32.9	0	0	0	113.4
24	Y	24.9	Very low	26.2	Very low	215 Å²	215	157.9 Å²	157.9	84%	0.843	80%	0.799	S	S	*	*			trans	-175.6	136.3	139	-102.1	-69.9	0	0	0	113.3
25	H	25	Very low	26.1	Very low	153 Å²	153	156.9 Å²	156.9	71%	0.708	80%	0.798	S	S	*	*			trans	31.8	129.3	152.1	-82.6	-47	0	0	0	125.7
26	N	24.6	Very low	26.1	Very low	138 Å²	138	153.6 Å²	153.6	74%	0.738	80%	0.796	S	S	*	*			trans	44	121.3	133.9	-84.9	-8.3	0	0	0	121.1
27	I	27	Very low	25.8	Very low	163 Å²	163	154.3 Å²	154.3	84%	0.836	80%	0.797	S	S	*	*				175.8	142	111.2	-86.2	155.9	0	0	0	110.8
28	N	23.5	Very low	25.6	Very low	139 Å²	139	157.2 Å²	157.2	74%	0.743	80%	0.798	S	S	*	*			trans	-30.8	136.2	168.7	-67.8	-34.6	0	0	0	117.6
29	N	24.5	Very low	25.3	Very low	137 Å²	137	157 Å²	157	73%	0.733	80%	0.795	S	S	*	*				150.5	139.2	102.4	-104.8	-31.6	0	0	0	113.6
30	K	24.5	Very low	25.1	Very low	185 Å²	185	152.6 Å²	152.6	80%	0.804	79%	0.79	S	S	*	*			trans	66.2	106.1	152.3	-68.3	176	178.1	174.2	0	118.6
31	V	27.4	Very low	25	Very low	149 Å²	149	160.3 Å²	160.3	90%	0.903	81%	0.806	S	S	*	*			trans	-125.3	127.7	140.8	178.9	0	0	0	0	109.9
32	R	25.2	Very low	25	Very low	221 Å²	221	157.5 Å²	157.5	83%	0.834	79%	0.793	S	S	*	*			trans	-78.4	140.8	174.7	-81	175.5	165.9	176	-3.9	110.7
33	R	22.4	Very low	25.1	Very low	232 Å²	232	152.3 Å²	152.3	88%	0.875	78%	0.777	S	S	*	*			trans	41.9	107.1	134.5	-62.9	-176.8	174.8	176.1	-2.6	117.8
34	T	26.6	Very low	25	Very low	144 Å²	144	154.8 Å²	154.8	88%	0.883	78%	0.777	S	S	*	*			trans	-123.3	137.1	132.1	48.7	0	0	0	0	109.3
35	S	23.3	Very low	24.9	Very low	113 Å²	113	147.5 Å²	147.5	79%	0.79	77%	0.767	S	S	*	*			trans	-68.3	166.4	-166	-19.9	0	0	0	0	114.5
36	P	25.5	Very low	24.9	Very low	119 Å²	119	144 Å²	144	77%	0.773	76%	0.76	S	S	*	*			trans	-91.6	146.9	-165.4	36.5	-31.7	0	0	0	112.6
37	V	25.7	Very low	24.8	Very low	138 Å²	138	145.8 Å²	145.8	84%	0.836	77%	0.768	S	S	*	*			trans	-121.6	102.1	161.1	180	0	0	0	0	107.9
38	I	24	Very low	24.6	Very low	159 Å²	159	142.2 Å²	142.2	82%	0.815	76%	0.758	S	S	*	*			trans	35.8	107.2	143.8	-56.7	169.9	0	0	0	115.7
39	G	21.9	Very low	24.6	Very low	59 Å²	59	140.9 Å²	140.9	61%	0.608	76%	0.76	S	S	*	*			trans	-70.9	139.1	173.8	0	0	0	0	0	113.7
40	C	21.9	Very low	24.4	Very low	126 Å²	126	145.6 Å²	145.6	85%	0.851	77%	0.767	S	S	*	*			trans	-140.1	98.6	144.8	-97.1	0	0	0	0	105.8	K42	C40-K42 PolarHBondContact O-N 3.48Å
41	W	22	Very low	24.3	Very low	251 Å²	251	142 Å²	142	95%	0.951	77%	0.765	S	S	*	*			trans	-85.5	105.2	174	-80.8	62.6	0	0	0	108.6
42	K	25.9	Very low	24	Very low	131 Å²	131	140.2 Å²	140.2	57%	0.57	75%	0.754	S	S	*	*			trans	-73.1	119.6	173.7	-73	175	172	171.9	0	110	C40 F44 S46	C40-K42 PolarHBondContact O-N 3.48Å; K42-F44 WeakPolarHBondContact CB-O 3.5Å; K42-F44 PolarHBondContact O-N 3.1Å; K42-S46 PolarHBondContact NZ-OG 3.25Å
43	F	27.6	Very low	23.9	Very low	118 Å²	118	135.6 Å²	135.6	52%	0.518	75%	0.753	S	S	.	*	S	Bend	trans	-68.3	114	141	-94.9	-92.5	0	0	0	105.7	N447	F43-N447 WeakPolarHBondContact CZ-OD1 3.21Å
44	F	31.6	Very low	23.9	Very low	161 Å²	161	133.8 Å²	133.8	71%	0.706	75%	0.752	S	S	*	*	S	Bend	trans	77.5	90.4	-168.1	-51.9	-73.9	0	0	0	116	K42 S46	K42-F44 WeakPolarHBondContact CB-O 3.5Å; K42-F44 PolarHBondContact O-N 3.1Å; F44-S46 PolarHBondContact O-N 3.06Å
45	G	23.6	Very low	23.7	Very low	62 Å²	62	129.8 Å²	129.8	64%	0.639	74%	0.739	S	S	*	*			trans	-56.6	126.4	159.4	0	0	0	0	0	110	L47	G45-L47 PolarHBondContact O-N 2.92Å
46	S	23.2	Very low	23.7	Very low	79 Å²	79	132.4 Å²	132.4	55%	0.552	75%	0.745	S	S	*	*			trans	-58.4	104.9	165.9	50	0	0	0	0	108.6	K42 F44 S48	K42-S46 PolarHBondContact NZ-OG 3.25Å; F44-S46 PolarHBondContact O-N 3.06Å; S46-S48 PolarHBondContact O-N 3.22Å
47	L	23	Very low	23.5	Very low	175 Å²	175	131.9 Å²	131.9	92%	0.916	74%	0.744	S	S	*	*			trans	-66.8	81.8	151.1	-88.8	154.1	0	0	0	106.4	G45 S49	G45-L47 PolarHBondContact O-N 2.92Å; L47-S49 PolarHBondContact O-N 3.48Å; L47-S49 VanDerWaalsContact O-N 3.12Å
48	S	22.9	Very low	23.5	Very low	89 Å²	89	131.8 Å²	131.8	62%	0.622	74%	0.744	S	S	*	*			trans	-64.1	106.5	155.4	58	0	0	0	0	105.7	S46 R50	S46-S48 PolarHBondContact O-N 3.22Å; S48-R50 PolarHBondContact O-N 3.08Å
49	S	23.7	Very low	23.4	Very low	111 Å²	111	132.3 Å²	132.3	78%	0.776	75%	0.748	S	S	*	*			trans	-54.3	113.3	157.8	43.8	0	0	0	0	106.7	L47 S51	L47-S49 PolarHBondContact O-N 3.48Å; L47-S49 VanDerWaalsContact O-N 3.12Å; S49-S51 VanDerWaalsContact C-N 3.28Å; S49-S51 PolarHBondContact O-N 3.02Å
50	R	21.1	Very low	23.6	Very low	236 Å²	236	138.5 Å²	138.5	89%	0.891	76%	0.761	S	S	*	*			trans	-63.6	97.5	164.2	-85.8	179.9	171.8	175.2	-2.6	106.2	S48 V52	S48-R50 PolarHBondContact O-N 3.08Å; R50-V52 PolarHBondContact O-N 2.93Å
51	S	22.7	Very low	23.7	Very low	108 Å²	108	142 Å²	142	76%	0.755	77%	0.765	S	S	*	*			trans	-64.2	116.6	158.6	50.5	0	0	0	0	107.3	S49	S49-S51 VanDerWaalsContact C-N 3.28Å; S49-S51 PolarHBondContact O-N 3.02Å
52	V	21	Very low	23.8	Very low	112 Å²	112	135.2 Å²	135.2	68%	0.679	76%	0.755	S	S	*	*			trans	-56.6	130	169.6	-178.5	0	0	0	0	108.1	R50 F54	R50-V52 PolarHBondContact O-N 2.93Å; V52-F54 HydrophobicContact CG1-CD2 4.36Å; V52-F54 HydrophobicContact CG1-CE2 4.45Å; V52-F54 PolarHBondContact O-N 2.77Å; V52-F54 VanDerWaalsContact O-N 3.16Å
53	P	21.4	Very low	23.8	Very low	124 Å²	124	140.8 Å²	140.8	81%	0.805	77%	0.773	S	S	*	*			trans	-79.1	102	176	30.9	-27.9	0	0	0	108.1
54	F	22.9	Very low	23.6	Very low	194 Å²	194	144.5 Å²	144.5	85%	0.851	79%	0.792	S	S	*	*			trans	-84.7	109.9	155.7	-95.2	-83.4	0	0	0	107.4	V52	V52-F54 HydrophobicContact CG1-CD2 4.36Å; V52-F54 HydrophobicContact CG1-CE2 4.45Å; V52-F54 PolarHBondContact O-N 2.77Å; V52-F54 VanDerWaalsContact O-N 3.16Å
55	G	21.9	Very low	23.4	Very low	60 Å²	60	139.8 Å²	139.8	62%	0.619	79%	0.789	S	S	*	*			trans	-71.5	130.4	163.5	0	0	0	0	0	108.7
56	D	24.3	Very low	23.5	Very low	169 Å²	169	147 Å²	147	90%	0.904	80%	0.803	S	S	*	*			trans	-155.3	133.7	133.4	-99.9	-26.7	0	0	0	110.2
57	S	21.8	Very low	23.7	Very low	108 Å²	108	152.5 Å²	152.5	76%	0.755	82%	0.816	S	S	*	*			trans	-85.6	115.2	-176.3	50	0	0	0	0	110.6
58	T	25.5	Very low	24.4	Very low	136 Å²	136	152.3 Å²	152.3	83%	0.834	81%	0.808	S	S	*	*			trans	-149.4	114.7	151.8	48.5	0	0	0	0	110.9	Q60	T58-Q60 PolarHBondContact O-N 3.48Å
59	N	22.1	Very low	25	Very low	169 Å²	169	152.4 Å²	152.4	90%	0.904	81%	0.814	S	S	*	*			trans	-60.8	116.5	168.6	-82.2	-34	0	0	0	110.8
60	Q	25	Very low	26	Very low	189 Å²	189	154 Å²	154	88%	0.883	82%	0.815	S	S	*	*			trans	-141.1	134.7	153	-74.2	-165.6	-6.4	0	0	111.3	T58 S62	T58-Q60 PolarHBondContact O-N 3.48Å; Q60-S62 PolarHBondContact O-N 3.32Å
61	H	24.7	Very low	27.6	Very low	201 Å²	201	146.3 Å²	146.3	93%	0.931	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-55.4	120.2	-168.3	-71.5	-84	0	0	0	114.8
62	S	23.9	Very low	29.1	Very low	107 Å²	107	147.7 Å²	147.7	75%	0.748	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-86.5	122.1	171.8	60	0	0	0	0	112.2	Q60 Q64	Q60-S62 PolarHBondContact O-N 3.32Å; S62-Q64 PolarHBondContact O-N 3.47Å
63	R	25	Very low	30.7	Very low	248 Å²	248	144.9 Å²	144.9	94%	0.936	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-60.3	121.9	158.4	-78.8	177	169.4	173.5	-3.3	109	G65	R63-G65 PolarHBondContact O-N 3.22Å
64	Q	24.8	Very low	32.4	Very low	196 Å²	196	146.7 Å²	146.7	92%	0.916	77%	0.769	S	S	*	*			trans	-69.3	97.7	177	-76.4	179.7	-12.4	0	0	110.9	S62	S62-Q64 PolarHBondContact O-N 3.47Å
65	G	26.4	Very low	34.8	Very low	63 Å²	63	143 Å²	143	65%	0.649	76%	0.758	S	S	*	*			trans	-78.9	132.4	154.6	0	0	0	0	0	109.3	R63 K67	R63-G65 PolarHBondContact O-N 3.22Å; G65-K67 PolarHBondContact O-N 3.34Å
66	K	26.5	Very low	37.4	Very low	213 Å²	213	142 Å²	142	93%	0.926	74%	0.738	S	S	*	*			trans	-55.9	103.4	176.4	-75.9	177.7	175.8	175.2	0	110	K68	K66-K68 PolarHBondContact O-N 3.19Å
67	K	26.9	Very low	39.6	Very low	194 Å²	194	138.8 Å²	138.8	84%	0.843	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-61.6	122.7	166.8	-76.2	-175.7	173.1	-175.9	0	108.5	G65 A69	G65-K67 PolarHBondContact O-N 3.34Å; K67-A69 PolarHBondContact O-N 3Å
68	K	38	Very low	42.2	Very low	171 Å²	171	135.3 Å²	135.3	74%	0.743	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-61.1	118.7	160.6	-89.2	179	175.1	175.2	0	105.7	K66 D70	K66-K68 PolarHBondContact O-N 3.19Å; K68-D70 PolarHBondContact O-N 3.39Å
69	A	35.4	Very low	44.8	Very low	91 Å²	91	132.1 Å²	132.1	75%	0.752	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-60.6	126.2	-176.7	0	0	0	0	0	110.4	K67 F71	K67-A69 PolarHBondContact O-N 3Å; A69-F71 PolarHBondContact O-N 2.69Å
70	D	44.9	Very low	47.5	Very low	146 Å²	146	125.7 Å²	125.7	78%	0.781	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-52.8	123.8	166	-97.1	-35.2	0	0	0	108.6	K68 N72	K68-D70 PolarHBondContact O-N 3.39Å; D70-N72 PolarHBondContact O-N 2.95Å
71	F	53.4	Low	49.7	Very low	74 Å²	74	121.4 Å²	121.4	33%	0.325	62%	0.618	S	S	.	*			trans	-64.9	108.9	-179.6	-156.9	-90.3	0	0	0	108.5	A69 C73 L85 E128 R254	A69-F71 PolarHBondContact O-N 2.69Å; F71-C73 PolarHBondContact O-N 2.95Å; F71-C73 VanDerWaalsContact O-N 3.07Å; F71-C73 PolarHBondContact O-SG 3.07Å; F71-C73 VanDerWaalsContact O-SG 3.33Å; F71-L85 HydrophobicContact CE1-CD1 4.43Å; F71-E128 WeakPolarHBondContact CE2-OE2 3.47Å; F71-R254 HydrophobicContact CD2-CG 4.22Å; F71-R254 HydrophobicContact CG-CG 4.36Å
72	N	54.8	Low	52.2	Low	136 Å²	136	119.3 Å²	119.3	73%	0.727	61%	0.606	S	S	*	*			trans	-70.2	109.6	-173	-144.9	6.7	0	0	0	109.2	D70 E74	D70-N72 PolarHBondContact O-N 2.95Å; N72-E74 PolarHBondContact O-N 2.88Å
73	C	54.7	Low	54.7	Low	54 Å²	54	114.2 Å²	114.2	37%	0.365	57%	0.571	S	S	.	*			trans	-77.9	31.9	-167	-69.1	0	0	0	0	114.3	F71 N75 I76	F71-C73 PolarHBondContact O-N 2.95Å; F71-C73 VanDerWaalsContact O-N 3.07Å; F71-C73 PolarHBondContact O-SG 3.07Å; F71-C73 VanDerWaalsContact O-SG 3.33Å; C73-N75 PolarHBondContact O-N 2.7Å; C73-N75 VanDerWaalsContact O-N 3.16Å; C73-I76 HydrophobicContact CB-CD1 3.96Å; C73-I76 HydrophobicContact CB-CG1 4.12Å
74	E	56.8	Low	57.5	Low	161 Å²	161	103.9 Å²	103.9	75%	0.752	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	110.6	171.4	-69.5	-177	175.8	0	0	107.3	N72	N72-E74 PolarHBondContact O-N 2.88Å
75	N	74.9	Confident	60.5	Low	116 Å²	116	94.7 Å²	94.7	62%	0.62	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	44.3	175.9	-106.6	-18.4	0	0	0	118.9	C73 D77 A78 H79	C73-N75 PolarHBondContact O-N 2.7Å; C73-N75 VanDerWaalsContact O-N 3.16Å; N75-D77 PolarHBondContact O-N 2.7Å; N75-A78 HydrophobicContact CB-CB 3.97Å; N75-A78 PolarHBondContact O-N 3.46Å; N75-A78 VanDerWaalsContact O-N 3.11Å; N75-H79 PolarHBondContact O-CD2 3.24Å; N75-H79 PolarHBondContact O-N 2.8Å
76	I	75.8	Confident	63.3	Low	41 Å²	41	91.7 Å²	91.7	21%	0.21	46%	0.463	C	S	.	.	H	α-helix	trans	-47.7	-44.6	169.7	-66.5	174.5	0	0	0	111.8	C73 A78 H79 L80 L126	C73-I76 HydrophobicContact CB-CD1 3.96Å; C73-I76 HydrophobicContact CB-CG1 4.12Å; I76-A78 VanDerWaalsContact C-N 3.34Å; I76-A78 PolarHBondContact O-N 2.72Å; I76-H79 WeakPolarHBondContact O-CB 3.35Å; I76-H79 PolarHBondContact O-N 3.14Å; I76-H79 VanDerWaalsContact O-N 3.11Å; I76-L80 HydrophobicContact CG2-CD1 3.73Å; I76-L80 HydrophobicContact CG2-CG 4.08Å; I76-L80 WeakPolarHBondContact O-CG 3.43Å; I76-L80 PolarHBondContact O-N 3.1Å; I76-L126 HydrophobicContact CG1-CD2 4.45Å; I76-L126 HydrophobicContact CG2-CD1 3.96Å; I76-L126 HydrophobicContact CG2-CD2 4.29Å
77	D	70.5	Confident	66.2	Low	101 Å²	101	84.2 Å²	84.2	54%	0.54	43%	0.431	S	S	.	.	H	α-helix	trans	-61.6	-40.2	-178.1	-65.2	-24.2	0	0	0	112.7	N75 H79 L80 K81	N75-D77 PolarHBondContact O-N 2.7Å; D77-H79 VanDerWaalsContact C-N 3.3Å; D77-H79 PolarHBondContact O-N 3.39Å; D77-L80 PolarHBondContact O-N 3.1Å; D77-K81 WeakPolarHBondContact O-CB 3.38Å; D77-K81 WeakPolarHBondContact O-CG 3.23Å; D77-K81 PolarHBondContact O-N 2.68Å
78	A	75.4	Confident	69	Low	35 Å²	35	75.5 Å²	75.5	29%	0.289	40%	0.395	S	S	.	.	H	α-helix	trans	-64.6	-37.7	176.7	0	0	0	0	0	111.4	N75 I76 K82	N75-A78 HydrophobicContact CB-CB 3.97Å; N75-A78 PolarHBondContact O-N 3.46Å; N75-A78 VanDerWaalsContact O-N 3.11Å; I76-A78 VanDerWaalsContact C-N 3.34Å; I76-A78 PolarHBondContact O-N 2.72Å; A78-K82 WeakPolarHBondContact O-CB 3.39Å; A78-K82 WeakPolarHBondContact O-CG 3.38Å; A78-K82 PolarHBondContact O-N 2.87Å
79	H	81.3	Confident	71.4	Confident	68 Å²	68	70 Å²	70	32%	0.315	37%	0.371	S	S	.	.	H	α-helix	trans	-72.2	-37.6	177.9	-80	-78.4	0	0	0	113.4	N75 I76 D77 K82 G83 S84 L85	N75-H79 PolarHBondContact O-CD2 3.24Å; N75-H79 PolarHBondContact O-N 2.8Å; I76-H79 WeakPolarHBondContact O-CB 3.35Å; I76-H79 PolarHBondContact O-N 3.14Å; I76-H79 VanDerWaalsContact O-N 3.11Å; D77-H79 VanDerWaalsContact C-N 3.3Å; D77-H79 PolarHBondContact O-N 3.39Å; H79-K82 PolarHBondContact O-N 3.39Å; H79-G83 PolarHBondContact O-N 2.82Å; H79-G83 VanDerWaalsContact O-N 3.13Å; H79-S84 WeakPolarHBondContact CA-OG 3.38Å; H79-S84 WeakPolarHBondContact CB-OG 3.42Å; H79-S84 PolarHBondContact ND1-OG 3.48Å; H79-S84 PolarHBondContact O-N 2.7Å; H79-S84 PolarHBondContact O-OG 3.45Å; H79-L85 HydrophobicContact CB-CB 3.93Å; H79-L85 HydrophobicContact CB-CD1 3.31Å; H79-L85 HydrophobicContact CB-CG 3.78Å; H79-L85 PolarHBondContact O-N 3.4Å
80	L	77.6	Confident	74	Confident	34 Å²	34	65.6 Å²	65.6	18%	0.178	34%	0.335	C	S	.	.	H	α-helix	trans	-62.3	-47.7	170.9	-72.4	171.9	0	0	0	110.2	I76 D77 K82 G83 L85 Q87 L126	I76-L80 HydrophobicContact CG2-CD1 3.73Å; I76-L80 HydrophobicContact CG2-CG 4.08Å; I76-L80 WeakPolarHBondContact O-CG 3.43Å; I76-L80 PolarHBondContact O-N 3.1Å; D77-L80 PolarHBondContact O-N 3.1Å; L80-K82 VanDerWaalsContact C-N 3.33Å; L80-K82 PolarHBondContact O-N 3.27Å; L80-G83 WeakPolarHBondContact O-CA 3.16Å; L80-G83 PolarHBondContact O-N 2.97Å; L80-L85 HydrophobicContact CD2-CB 4.28Å; L80-Q87 HydrophobicContact CD2-CB 4.21Å; L80-L126 HydrophobicContact CD2-CD1 4.28Å
81	K	71.9	Confident	76.1	Confident	100 Å²	100	60.6 Å²	60.6	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-59.8	-39.2	176.6	-77.2	-172.3	-175.4	-163.3	0	113.1	D77 G83 L239 D863	D77-K81 WeakPolarHBondContact O-CB 3.38Å; D77-K81 WeakPolarHBondContact O-CG 3.23Å; D77-K81 PolarHBondContact O-N 2.68Å; K81-G83 PolarHBondContact O-N 2.85Å; K81-L239 WeakPolarHBondContact O-CD1 3.18Å; K81-D863 HydrophobicContact CD-CB 4.45Å; K81-D863 VanDerWaalsContact CE-CB 3.46Å; K81-D863 IonicContact NZ-OD2 3.84Å; K81-D863 PolarHBondContact NZ-OD2 3.39Å
82	K	77.8	Confident	77.6	Confident	157 Å²	157	60.5 Å²	60.5	68%	0.683	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-13	174.5	-77.9	-177.3	177	-179.8	0	113.4	A78 H79 L80 S84 S237	A78-K82 WeakPolarHBondContact O-CB 3.39Å; A78-K82 WeakPolarHBondContact O-CG 3.38Å; A78-K82 PolarHBondContact O-N 2.87Å; H79-K82 PolarHBondContact O-N 3.39Å; L80-K82 VanDerWaalsContact C-N 3.33Å; L80-K82 PolarHBondContact O-N 3.27Å; K82-S84 PolarHBondContact O-N 2.67Å; K82-S237 WeakPolarHBondContact O-CB 3.31Å; K82-S237 PolarHBondContact O-OG 2.85Å
83	G	76.7	Confident	78.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	19.4	-173.3	0	0	0	0	0	114.1	H79 L80 K81 A238	H79-G83 PolarHBondContact O-N 2.82Å; H79-G83 VanDerWaalsContact O-N 3.13Å; L80-G83 WeakPolarHBondContact O-CA 3.16Å; L80-G83 PolarHBondContact O-N 2.97Å; K81-G83 PolarHBondContact O-N 2.85Å; G83-A238 VanDerWaalsContact O-CB 3.26Å; G83-A238 WeakPolarHBondContact O-CB 3.34Å; G83-A238 PolarHBondContact O-N 3.21Å
84	S	82.5	Confident	78.7	Confident	30 Å²	30	57.6 Å²	57.6	21%	0.21	29%	0.294	C	S	.	.	S	Bend	trans	-82.1	-28.9	173.7	57.4	0	0	0	0	112.3	H79 K82 L129	H79-S84 WeakPolarHBondContact CA-OG 3.38Å; H79-S84 WeakPolarHBondContact CB-OG 3.42Å; H79-S84 PolarHBondContact ND1-OG 3.48Å; H79-S84 PolarHBondContact O-N 2.7Å; H79-S84 PolarHBondContact O-OG 3.45Å; K82-S84 PolarHBondContact O-N 2.67Å; S84-L129 PolarHBondContact O-N 3.49Å
85	L	87.6	Confident	78.8	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.016	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	151.9	168.1	-75.5	166.1	0	0	0	109	F71 H79 L80 L126 V127 E128	F71-L85 HydrophobicContact CE1-CD1 4.43Å; H79-L85 HydrophobicContact CB-CB 3.93Å; H79-L85 HydrophobicContact CB-CD1 3.31Å; H79-L85 HydrophobicContact CB-CG 3.78Å; H79-L85 PolarHBondContact O-N 3.4Å; L80-L85 HydrophobicContact CD2-CB 4.28Å; L85-L126 HydrophobicContact CB-CD2 4.47Å; L85-L126 HydrophobicContact CB-CG 4.43Å; L85-L126 HydrophobicContact CD1-CD2 3.67Å; L85-L126 HydrophobicContact CD1-CG 4.5Å; L85-L126 HydrophobicContact CD2-CD2 3.8Å; L85-L126 HydrophobicContact CD2-CG 4.09Å; L85-L126 HydrophobicContact CG-CD2 4.19Å; L85-V127 CarbonylContact C-O 3.57Å; L85-V127 WeakPolarHBondContact CA-O 3.43Å; L85-E128 HydrophobicContact CD2-CB 3.74Å; L85-E128 HydrophobicContact CD2-CG 4.3Å
86	I	87	Confident	78.5	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	129.6	177.2	-51.9	170.4	0	0	0	107.8	A88 P103 I109 L126 V127 L129 A238	I86-A88 HydrophobicContact CG2-CB 4.31Å; I86-P103 VanDerWaalsContact CG2-CD 3.47Å; I86-P103 HydrophobicContact CG2-CG 4Å; I86-I109 HydrophobicContact CD1-CD1 3.12Å; I86-L126 WeakPolarHBondContact O-CA 3.49Å; I86-V127 PolarHBondContact N-O 3.12Å; I86-V127 PolarHBondContact O-N 3.3Å; I86-L129 HydrophobicContact CD1-CD1 4.4Å; I86-L129 HydrophobicContact CD1-CD2 4.27Å; I86-L129 HydrophobicContact CD1-CG 4.23Å; I86-A238 HydrophobicContact CD1-CB 3.37Å; I86-A238 HydrophobicContact CG1-CB 3.65Å
87	Q	86.5	Confident	78.6	Confident	55 Å²	55	56.7 Å²	56.7	26%	0.257	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.4	166.2	174.2	170.4	-26.4	0	0	108.9	L80 I124 V125 L126 L257 L871	L80-Q87 HydrophobicContact CD2-CB 4.21Å; Q87-I124 HydrophobicContact CG-CG2 4.08Å; Q87-V125 WeakPolarHBondContact CA-O 3.43Å; Q87-L126 HydrophobicContact CB-CD1 4.42Å; Q87-L257 HydrophobicContact CB-CD1 4.31Å; Q87-L257 HydrophobicContact CG-CD1 3.69Å; Q87-L871 HydrophobicContact CG-CD2 4.32Å; Q87-L871 VanDerWaalsContact NE2-CD1 3.29Å
88	A	85.6	Confident	79.5	Confident	12 Å²	12	52 Å²	52	10%	0.099	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	163.2	-179.3	0	0	0	0	0	112.2	I86 V100 V125	I86-A88 HydrophobicContact CG2-CB 4.31Å; A88-V100 HydrophobicContact CB-CB 3.71Å; A88-V100 HydrophobicContact CB-CG1 4.08Å; A88-V100 HydrophobicContact CB-CG2 4.21Å; A88-V125 PolarHBondContact N-O 3.41Å; A88-V125 VanDerWaalsContact O-CG2 3.3Å; A88-V125 WeakPolarHBondContact O-CG2 3.41Å; A88-V125 PolarHBondContact O-N 3.23Å
89	K	87.5	Confident	80.3	Confident	54 Å²	54	52 Å²	52	24%	0.235	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	129.2	170.6	-173.7	170.3	67.3	155.3	0	109.7	H91 E122 I124 D878	K89-H91 VanDerWaalsContact CE-CE1 3.44Å; K89-H91 WeakPolarHBondContact CE-CE1 3.15Å; K89-H91 PolarHBondContact O-CD2 3Å; K89-H91 VanDerWaalsContact O-CD2 3.32Å; K89-E122 HydrophobicContact CD-CB 4.02Å; K89-E122 HydrophobicContact CD-CG 4.36Å; K89-E122 HydrophobicContact CG-CB 4.3Å; K89-E122 IonicContact NZ-OE1 2.75Å; K89-I124 HydrophobicContact CB-CD1 3.92Å; K89-I124 HydrophobicContact CG-CD1 4.11Å; K89-D878 IonicContact NZ-OD1 2.66Å; K89-D878 PolarHBondContact NZ-OD1 2.8Å
90	L	90.9	Very high	80.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	136.3	172.5	-167.8	65.3	0	0	0	109.9	C98 V100 I111 A119 E122 D123 V125	L90-C98 HydrophobicContact CD1-CB 4.28Å; L90-V100 HydrophobicContact CD1-CG1 3.93Å; L90-I111 HydrophobicContact CD1-CB 4.46Å; L90-I111 HydrophobicContact CD1-CG1 4.06Å; L90-A119 HydrophobicContact CD2-CB 3.72Å; L90-E122 WeakPolarHBondContact O-CA 3.29Å; L90-E122 PolarHBondContact O-N 2.9Å; L90-D123 PolarHBondContact N-O 3.31Å; L90-V125 HydrophobicContact CB-CG1 4.44Å; L90-V125 HydrophobicContact CB-CG2 4.12Å
91	H	89.4	Confident	81.1	Confident	41 Å²	41	50.6 Å²	50.6	19%	0.19	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.3	173.8	-69	-85.8	0	0	0	109	K89 C98 Y99 N121	K89-H91 VanDerWaalsContact CE-CE1 3.44Å; K89-H91 WeakPolarHBondContact CE-CE1 3.15Å; K89-H91 PolarHBondContact O-CD2 3Å; K89-H91 VanDerWaalsContact O-CD2 3.32Å; H91-C98 CarbonylContact O-C 3.57Å; H91-C98 WeakPolarHBondContact O-CA 3.25Å; H91-Y99 HydrophobicContact CB-CD1 3.93Å; H91-Y99 HydrophobicContact CB-CD2 4.06Å; H91-Y99 HydrophobicContact CB-CE1 3.5Å; H91-Y99 HydrophobicContact CB-CE2 3.65Å; H91-Y99 HydrophobicContact CB-CG 4.19Å; H91-Y99 WeakPolarHBondContact CB-O 3.42Å; H91-Y99 AromaticContact CD2-CE2 3.96Å; H91-Y99 AromaticContact CG-CE2 3.89Å; H91-Y99 AromaticContact CG-CZ 3.85Å; H91-Y99 PolarHBondContact N-O 2.91Å; H91-Y99 PolarHBondContact O-N 2.67Å; H91-N121 WeakPolarHBondContact CA-OD1 3.39Å
92	E	84.9	Confident	81.5	Confident	72 Å²	72	45.8 Å²	45.8	34%	0.336	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132	175.2	-170.8	175.5	-178.8	0	0	109.3	V97 N121	E92-V97 WeakPolarHBondContact CA-O 3.2Å; E92-N121 HydrophobicContact CB-CB 3.72Å; E92-N121 PolarHBondContact N-OD1 3.43Å
93	I	72.7	Confident	81.2	Confident	26 Å²	26	41.4 Å²	41.4	13%	0.133	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	148.3	176.6	-52.3	175.2	0	0	0	107.6	R95 G96 V97 Y99 F200	I93-R95 PolarHBondContact O-N 3.18Å; I93-G96 PolarHBondContact O-N 3.11Å; I93-V97 HydrophobicContact CB-CB 4.41Å; I93-V97 PolarHBondContact N-O 3.05Å; I93-Y99 HydrophobicContact CD1-CD1 4.06Å; I93-Y99 HydrophobicContact CD1-CE1 3.6Å; I93-Y99 HydrophobicContact CG1-CD1 4.25Å; I93-Y99 HydrophobicContact CG1-CE1 3.67Å; I93-F200 HydrophobicContact CD1-CD1 4.44Å; I93-F200 HydrophobicContact CD1-CE1 3.68Å; I93-F200 HydrophobicContact CD1-CZ 4.04Å; I93-F200 HydrophobicContact CG2-CD2 4.46Å; I93-F200 HydrophobicContact CG2-CE1 4.21Å; I93-F200 HydrophobicContact CG2-CE2 3.95Å; I93-F200 HydrophobicContact CG2-CZ 3.81Å
94	P	58.8	Low	80.9	Confident	102 Å²	102	45 Å²	45	66%	0.662	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.3	132.6	167.2	-29.3	33.8	0	0	0	111.2
95	R	59	Low	80.5	Confident	216 Å²	216	44.9 Å²	44.9	82%	0.815	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.7	19.2	-170.1	-49.3	168.3	-177.5	177.9	0.5	116.3	I93 V97	I93-R95 PolarHBondContact O-N 3.18Å; R95-V97 VanDerWaalsContact C-N 3.31Å; R95-V97 PolarHBondContact O-N 3.4Å
96	G	68.1	Low	79.8	Confident	31 Å²	31	47.1 Å²	47.1	32%	0.32	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	15.3	168.4	0	0	0	0	0	115.2	I93 C98	I93-G96 PolarHBondContact O-N 3.11Å; G96-C98 PolarHBondContact O-N 2.97Å
97	V	78.8	Confident	79.5	Confident	52 Å²	52	52.4 Å²	52.4	32%	0.315	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	114.9	176.9	-179.5	0	0	0	0	109	E92 I93 R95	E92-V97 WeakPolarHBondContact CA-O 3.2Å; I93-V97 HydrophobicContact CB-CB 4.41Å; I93-V97 PolarHBondContact N-O 3.05Å; R95-V97 VanDerWaalsContact C-N 3.31Å; R95-V97 PolarHBondContact O-N 3.4Å
98	C	89.7	Confident	79.6	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.014	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	141.9	179.7	-60.7	0	0	0	0	111.5	L90 H91 G96 I111 C116	L90-C98 HydrophobicContact CD1-CB 4.28Å; H91-C98 CarbonylContact O-C 3.57Å; H91-C98 WeakPolarHBondContact O-CA 3.25Å; G96-C98 PolarHBondContact O-N 2.97Å; C98-I111 HydrophobicContact CB-CB 4.05Å; C98-I111 WeakPolarHBondContact CB-O 3.42Å; C98-I111 PolarHBondContact O-N 3.17Å; C98-C116 VanDerWaalsContact CB-SG 3.53Å; C98-C116 PolarHBondContact SG-SG 3.4Å
99	Y	92	Very high	79.9	Confident	36 Å²	36	54.1 Å²	54.1	14%	0.141	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	160.5	174	69.6	-84.4	0	0	0	111.8	H91 I93 I101 R108 I109	H91-Y99 HydrophobicContact CB-CD1 3.93Å; H91-Y99 HydrophobicContact CB-CD2 4.06Å; H91-Y99 HydrophobicContact CB-CE1 3.5Å; H91-Y99 HydrophobicContact CB-CE2 3.65Å; H91-Y99 HydrophobicContact CB-CG 4.19Å; H91-Y99 WeakPolarHBondContact CB-O 3.42Å; H91-Y99 AromaticContact CD2-CE2 3.96Å; H91-Y99 AromaticContact CG-CE2 3.89Å; H91-Y99 AromaticContact CG-CZ 3.85Å; H91-Y99 PolarHBondContact N-O 2.91Å; H91-Y99 PolarHBondContact O-N 2.67Å; I93-Y99 HydrophobicContact CD1-CD1 4.06Å; I93-Y99 HydrophobicContact CD1-CE1 3.6Å; I93-Y99 HydrophobicContact CG1-CD1 4.25Å; I93-Y99 HydrophobicContact CG1-CE1 3.67Å; Y99-I101 HydrophobicContact CD2-CG1 4.41Å; Y99-I101 HydrophobicContact CE2-CG1 4.04Å; Y99-R108 HydrophobicContact CD2-CB 4.11Å; Y99-R108 HydrophobicContact CD2-CG 3.73Å; Y99-R108 HydrophobicContact CE2-CG 4.04Å; Y99-R108 HydrophobicContact CG-CG 4.42Å; Y99-I109 CarbonylContact C-O 3.55Å; Y99-I109 WeakPolarHBondContact CA-O 3.47Å; Y99-I109 WeakPolarHBondContact CB-O 3.43Å
100	V	90.7	Very high	80.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	156.7	164	-61.6	0	0	0	0	109.8	A88 L90 R108 I109 I111 V125 V127	A88-V100 HydrophobicContact CB-CB 3.71Å; A88-V100 HydrophobicContact CB-CG1 4.08Å; A88-V100 HydrophobicContact CB-CG2 4.21Å; L90-V100 HydrophobicContact CD1-CG1 3.93Å; V100-R108 CarbonylContact O-C 3.58Å; V100-R108 WeakPolarHBondContact O-CA 3.37Å; V100-I109 HydrophobicContact CG2-CB 3.69Å; V100-I109 HydrophobicContact CG2-CD1 4.08Å; V100-I109 HydrophobicContact CG2-CG1 4.29Å; V100-I109 HydrophobicContact CG2-CG2 4.29Å; V100-I109 PolarHBondContact N-O 2.9Å; V100-I109 PolarHBondContact O-N 2.92Å; V100-I111 HydrophobicContact CG1-CG1 4.44Å; V100-V125 HydrophobicContact CG1-CG2 3.94Å; V100-V127 HydrophobicContact CG1-CG2 3.91Å; V100-V127 HydrophobicContact CG2-CG1 4.46Å; V100-V127 HydrophobicContact CG2-CG2 4.08Å
101	I	84	Confident	80.2	Confident	72 Å²	72	52.8 Å²	52.8	37%	0.369	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.4	171.1	-61.9	-170.9	0	0	0	108.3	Y99 P103	Y99-I101 HydrophobicContact CD2-CG1 4.41Å; Y99-I101 HydrophobicContact CE2-CG1 4.04Å; I101-P103 WeakPolarHBondContact O-CD 3.12Å
102	N	82.2	Confident	80	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.			trans	-66.2	118.6	171.1	-178.7	2.7	0	0	0	109	Y104 D105 G106 K107 I109 A238	N102-Y104 PolarHBondContact O-N 3.36Å; N102-Y104 VanDerWaalsContact OD1-CD2 3.23Å; N102-Y104 WeakPolarHBondContact OD1-CD2 3.4Å; N102-Y104 PolarHBondContact OD1-N 3.4Å; N102-D105 VanDerWaalsContact CB-OD1 3.25Å; N102-D105 WeakPolarHBondContact CB-OD1 3.37Å; N102-D105 VanDerWaalsContact ND2-CG 3.3Å; N102-D105 PolarHBondContact ND2-OD1 3.06Å; N102-D105 PolarHBondContact ND2-OD2 3.04Å; N102-G106 VanDerWaalsContact O-CA 3.25Å; N102-G106 WeakPolarHBondContact O-CA 3.21Å; N102-G106 PolarHBondContact O-N 3.09Å; N102-K107 WeakPolarHBondContact CB-O 3.48Å; N102-K107 PolarHBondContact N-O 2.94Å; N102-I109 HydrophobicContact CB-CD1 3.88Å; N102-I109 HydrophobicContact CB-CG1 4.15Å; N102-A238 PolarHBondContact ND2-O 2.97Å
103	P	70.6	Confident	79.8	Confident	64 Å²	64	55.3 Å²	55.3	42%	0.416	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.6	-176.7	25.8	-34.6	0	0	0	113.2	I86 I101 I763	I86-P103 VanDerWaalsContact CG2-CD 3.47Å; I86-P103 HydrophobicContact CG2-CG 4Å; I101-P103 WeakPolarHBondContact O-CD 3.12Å; P103-I763 WeakPolarHBondContact O-CD1 3.44Å
104	Y	70.1	Confident	80.3	Confident	77 Å²	77	61.2 Å²	61.2	30%	0.302	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-35.6	-174.3	-56.4	-68	0	0	0	114	N102 A238 L239 I763	N102-Y104 PolarHBondContact O-N 3.36Å; N102-Y104 VanDerWaalsContact OD1-CD2 3.23Å; N102-Y104 WeakPolarHBondContact OD1-CD2 3.4Å; N102-Y104 PolarHBondContact OD1-N 3.4Å; Y104-A238 HydrophobicContact CD2-CB 4.26Å; Y104-A238 HydrophobicContact CE2-CB 4.47Å; Y104-L239 HydrophobicContact CD1-CD2 3.61Å; Y104-L239 HydrophobicContact CD2-CD2 3.67Å; Y104-L239 HydrophobicContact CE1-CD2 3.53Å; Y104-L239 HydrophobicContact CE2-CD2 3.6Å; Y104-L239 HydrophobicContact CG-CD2 3.68Å; Y104-I763 WeakPolarHBondContact O-CG2 3.39Å
105	D	74.7	Confident	81.7	Confident	27 Å²	27	57.9 Å²	57.9	14%	0.144	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-4.7	-178.6	70.7	6.8	0	0	0	114.3	N102 K107 R249 R767	N102-D105 VanDerWaalsContact CB-OD1 3.25Å; N102-D105 WeakPolarHBondContact CB-OD1 3.37Å; N102-D105 VanDerWaalsContact ND2-CG 3.3Å; N102-D105 PolarHBondContact ND2-OD1 3.06Å; N102-D105 PolarHBondContact ND2-OD2 3.04Å; D105-K107 PolarHBondContact O-N 2.93Å; D105-K107 WeakPolarHBondContact OD1-CB 3.48Å; D105-K107 PolarHBondContact OD1-N 3.31Å; D105-R249 IonicContact OD1-NH1 2.73Å; D105-R249 IonicContact OD2-CZ 2.8Å; D105-R249 VanDerWaalsContact OD2-CZ 3.26Å; D105-R249 IonicContact OD2-NH1 3.29Å; D105-R249 PolarHBondContact OD2-NH1 2.69Å; D105-R249 IonicContact OD2-NH2 3.41Å; D105-R249 PolarHBondContact OD2-NH2 3.08Å; D105-R767 VanDerWaalsContact CA-NH2 3.28Å; D105-R767 PolarHBondContact O-NH2 2.66Å
106	G	72.7	Confident	83.1	Confident	49 Å²	49	47.9 Å²	47.9	51%	0.505	25%	0.25	S	S	.	.			trans	68.2	4.8	-178.4	0	0	0	0	0	114.1	N102	N102-G106 VanDerWaalsContact O-CA 3.25Å; N102-G106 WeakPolarHBondContact O-CA 3.21Å; N102-G106 PolarHBondContact O-N 3.09Å
107	K	81.1	Confident	84	Confident	113 Å²	113	50.2 Å²	50.2	49%	0.491	26%	0.256	S	S	.	.			trans	-81.1	153	177.5	-63.4	-71.4	-175.4	172	0	110.1	N102 D105 L242	N102-K107 WeakPolarHBondContact CB-O 3.48Å; N102-K107 PolarHBondContact N-O 2.94Å; D105-K107 PolarHBondContact O-N 2.93Å; D105-K107 WeakPolarHBondContact OD1-CB 3.48Å; D105-K107 PolarHBondContact OD1-N 3.31Å; K107-L242 HydrophobicContact CG-CD1 4.29Å
108	R	88.7	Confident	84.4	Confident	102 Å²	102	50.2 Å²	50.2	39%	0.385	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	142.7	178.9	-61.9	-179	-173.2	168.3	0.4	110.5	Y99 V100	Y99-R108 HydrophobicContact CD2-CB 4.11Å; Y99-R108 HydrophobicContact CD2-CG 3.73Å; Y99-R108 HydrophobicContact CE2-CG 4.04Å; Y99-R108 HydrophobicContact CG-CG 4.42Å; V100-R108 CarbonylContact O-C 3.58Å; V100-R108 WeakPolarHBondContact O-CA 3.37Å
109	I	91.7	Very high	84.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116.4	166.7	-55.5	173.4	0	0	0	106	I86 Y99 V100 N102 L129 R249	I86-I109 HydrophobicContact CD1-CD1 3.12Å; Y99-I109 CarbonylContact C-O 3.55Å; Y99-I109 WeakPolarHBondContact CA-O 3.47Å; Y99-I109 WeakPolarHBondContact CB-O 3.43Å; V100-I109 HydrophobicContact CG2-CB 3.69Å; V100-I109 HydrophobicContact CG2-CD1 4.08Å; V100-I109 HydrophobicContact CG2-CG1 4.29Å; V100-I109 HydrophobicContact CG2-CG2 4.29Å; V100-I109 PolarHBondContact N-O 2.9Å; V100-I109 PolarHBondContact O-N 2.92Å; N102-I109 HydrophobicContact CB-CD1 3.88Å; N102-I109 HydrophobicContact CB-CG1 4.15Å; I109-L129 HydrophobicContact CD1-CD2 3.95Å; I109-L129 HydrophobicContact CG1-CD2 4.47Å; I109-L129 HydrophobicContact CG2-CD2 3.9Å; I109-R249 CarbonylContact C-O 3.5Å; I109-R249 WeakPolarHBondContact CA-O 3.33Å; I109-R249 HydrophobicContact CB-CB 4.43Å; I109-R249 HydrophobicContact CG1-CB 4.08Å; I109-R249 HydrophobicContact CG2-CB 4.14Å
110	H	92.4	Very high	84	Confident	26 Å²	26	49.7 Å²	49.7	12%	0.12	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	137.3	179.6	-179.7	-88	0	0	0	110.6	V248 R249 T250 G251	H110-V248 HydrophobicContact CB-CG1 4.03Å; H110-R249 PolarHBondContact N-O 2.75Å; H110-T250 HydrophobicContact CB-CG2 4.47Å; H110-T250 CarbonylContact O-C 3.57Å; H110-T250 VanDerWaalsContact O-CA 3.29Å; H110-T250 WeakPolarHBondContact O-CA 3.27Å; H110-T250 WeakPolarHBondContact O-CG2 3.47Å; H110-G251 PolarHBondContact O-N 3.44Å
111	I	92	Very high	83.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	116.7	172.9	-49.3	-70.7	0	0	0	106.1	L90 C98 V100 N115 C116 V127 G251 V253	L90-I111 HydrophobicContact CD1-CB 4.46Å; L90-I111 HydrophobicContact CD1-CG1 4.06Å; C98-I111 HydrophobicContact CB-CB 4.05Å; C98-I111 WeakPolarHBondContact CB-O 3.42Å; C98-I111 PolarHBondContact O-N 3.17Å; V100-I111 HydrophobicContact CG1-CG1 4.44Å; I111-N115 HydrophobicContact CG2-CB 4.11Å; I111-C116 HydrophobicContact CG2-CB 4.49Å; I111-C116 VanDerWaalsContact CG2-SG 3.57Å; I111-V127 HydrophobicContact CD1-CG1 3.61Å; I111-V127 HydrophobicContact CD1-CG2 4.07Å; I111-G251 WeakPolarHBondContact CD1-O 2.98Å; I111-V253 HydrophobicContact CG2-CG2 4.19Å
112	S	85.5	Confident	83.9	Confident	24 Å²	24	50.2 Å²	50.2	17%	0.168	26%	0.256	C	S	.	.			trans	-70.8	153.7	171.6	50.9	0	0	0	0	110.2	E114 N115 C116	S112-E114 VanDerWaalsContact C-N 3.29Å; S112-E114 PolarHBondContact O-N 2.92Å; S112-E114 WeakPolarHBondContact OG-CG 3.24Å; S112-E114 PolarHBondContact OG-OE1 3.46Å; S112-N115 CarbonylContact O-C 3.46Å; S112-N115 WeakPolarHBondContact O-CA 3.48Å; S112-N115 WeakPolarHBondContact O-CB 3.46Å; S112-N115 PolarHBondContact O-N 3.14Å; S112-N115 PolarHBondContact OG-ND2 2.9Å; S112-C116 PolarHBondContact O-N 3.29Å
113	H	80.9	Confident	84.2	Confident	143 Å²	143	50.3 Å²	50.3	66%	0.662	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-52.5	-45	-177.3	-176.9	-95.5	0	0	0	113	N115 C116	H113-N115 PolarHBondContact O-N 3.4Å; H113-N115 VanDerWaalsContact O-N 3.14Å; H113-C116 WeakPolarHBondContact O-CB 3.14Å; H113-C116 PolarHBondContact O-N 2.78Å; H113-C116 VanDerWaalsContact O-N 3.08Å
114	E	82.2	Confident	84.9	Confident	149 Å²	149	48.6 Å²	48.6	70%	0.696	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-59.6	-21.2	173.9	66.2	-164.6	170.7	0	0	114.7	S112	S112-E114 VanDerWaalsContact C-N 3.29Å; S112-E114 PolarHBondContact O-N 2.92Å; S112-E114 WeakPolarHBondContact OG-CG 3.24Å; S112-E114 PolarHBondContact OG-OE1 3.46Å
115	N	89.3	Confident	85.9	Confident	32 Å²	32	44.9 Å²	44.9	17%	0.171	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-100.6	-0.9	-179.4	-76.4	-32.5	0	0	0	112.7	I111 S112 H113 N117 V252 V253	I111-N115 HydrophobicContact CG2-CB 4.11Å; S112-N115 CarbonylContact O-C 3.46Å; S112-N115 WeakPolarHBondContact O-CA 3.48Å; S112-N115 WeakPolarHBondContact O-CB 3.46Å; S112-N115 PolarHBondContact O-N 3.14Å; S112-N115 PolarHBondContact OG-ND2 2.9Å; H113-N115 PolarHBondContact O-N 3.4Å; H113-N115 VanDerWaalsContact O-N 3.14Å; N115-N117 VanDerWaalsContact C-N 3.28Å; N115-N117 PolarHBondContact O-N 3.24Å; N115-V252 HydrophobicContact CB-CB 4.16Å; N115-V252 HydrophobicContact CB-CG2 3.91Å; N115-V253 WeakPolarHBondContact O-CB 3.36Å; N115-V253 PolarHBondContact O-N 2.91Å
116	C	87.5	Confident	86.8	Confident	6 Å²	6	43.8 Å²	43.8	4%	0.041	22%	0.222	C	C	.	.	S	Bend	trans	-72.9	-20.2	174.9	-69.2	0	0	0	0	112.8	C98 I111 S112 H113 N118 A119 V253	C98-C116 VanDerWaalsContact CB-SG 3.53Å; C98-C116 PolarHBondContact SG-SG 3.4Å; I111-C116 HydrophobicContact CG2-CB 4.49Å; I111-C116 VanDerWaalsContact CG2-SG 3.57Å; S112-C116 PolarHBondContact O-N 3.29Å; H113-C116 WeakPolarHBondContact O-CB 3.14Å; H113-C116 PolarHBondContact O-N 2.78Å; H113-C116 VanDerWaalsContact O-N 3.08Å; C116-N118 VanDerWaalsContact C-N 3.34Å; C116-N118 PolarHBondContact O-N 3.48Å; C116-A119 WeakPolarHBondContact O-CB 3.34Å; C116-A119 PolarHBondContact O-N 2.91Å; C116-V253 WeakPolarHBondContact O-CB 3.23Å
117	N	87.2	Confident	87.7	Confident	80 Å²	80	41.4 Å²	41.4	43%	0.428	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	52.2	178.6	-162.5	29.3	0	0	0	112.8	N115 A119 V253	N115-N117 VanDerWaalsContact C-N 3.28Å; N115-N117 PolarHBondContact O-N 3.24Å; N117-A119 PolarHBondContact O-N 3.24Å; N117-V253 HydrophobicContact CB-CB 4.23Å; N117-V253 HydrophobicContact CB-CG1 4.32Å; N117-V253 WeakPolarHBondContact CB-O 3.38Å
118	N	86.5	Confident	88.3	Confident	53 Å²	53	37.9 Å²	37.9	28%	0.283	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	2.9	-177.2	-57.7	-23.8	0	0	0	116	C116 W334	C116-N118 VanDerWaalsContact C-N 3.34Å; C116-N118 PolarHBondContact O-N 3.48Å; N118-W334 HydrophobicContact CB-CD2 3.91Å; N118-W334 HydrophobicContact CB-CE3 3.79Å; N118-W334 HydrophobicContact CB-CG 4.34Å; N118-W334 HydrophobicContact CB-CZ3 4.07Å; N118-W334 WeakPolarHBondContact O-CZ3 3.24Å
119	A	88	Confident	88.5	Confident	9 Å²	9	33 Å²	33	7%	0.074	17%	0.165	C	C	.	.			trans	-67.6	143.5	171.2	0	0	0	0	0	110.7	L90 C116 N117 V125 V253 I256	L90-A119 HydrophobicContact CD2-CB 3.72Å; C116-A119 WeakPolarHBondContact O-CB 3.34Å; C116-A119 PolarHBondContact O-N 2.91Å; N117-A119 PolarHBondContact O-N 3.24Å; A119-V125 HydrophobicContact CB-CG1 3.58Å; A119-V253 HydrophobicContact CB-CG1 4.11Å; A119-V253 HydrophobicContact CB-CG2 4.48Å; A119-I256 HydrophobicContact CB-CD1 3.91Å; A119-I256 HydrophobicContact CB-CG1 3.82Å
120	R	87	Confident	88.5	Confident	17 Å²	17	34.5 Å²	34.5	6%	0.064	17%	0.173	C	C	.	.			trans	-116.9	169.2	-179	-67.4	-165.1	-170	148.8	14.3	112.1	E122 D123 N263 P302 W334	R120-E122 PolarHBondContact O-N 3.29Å; R120-D123 PolarHBondContact N-OD2 3.44Å; R120-D123 VanDerWaalsContact O-CB 3.32Å; R120-D123 WeakPolarHBondContact O-CB 3.43Å; R120-D123 PolarHBondContact O-N 3.23Å; R120-N263 HydrophobicContact CB-CB 4.42Å; R120-N263 VanDerWaalsContact CB-ND2 3.3Å; R120-N263 WeakPolarHBondContact CB-ND2 3.06Å; R120-N263 PolarHBondContact NH1-O 3.03Å; R120-P302 VanDerWaalsContact NH1-CD 3.33Å; R120-W334 HydrophobicContact CG-CZ3 4.3Å
121	N	87.2	Confident	88.5	Confident	38 Å²	38	35.1 Å²	35.1	20%	0.203	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.2	127.7	176.1	-165.2	29.4	0	0	0	112	H91 E92 D123 N263	H91-N121 WeakPolarHBondContact CA-OD1 3.39Å; E92-N121 HydrophobicContact CB-CB 3.72Å; E92-N121 PolarHBondContact N-OD1 3.43Å; N121-D123 VanDerWaalsContact C-N 3.26Å; N121-D123 PolarHBondContact O-N 3.16Å; N121-N263 PolarHBondContact O-ND2 3.09Å
122	E	84.9	Confident	88.3	Confident	46 Å²	46	35.3 Å²	35.3	22%	0.215	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	5.9	-179.7	-48.2	-172.9	145.1	0	0	117.4	K89 L90 R120 N260 K882	K89-E122 HydrophobicContact CD-CB 4.02Å; K89-E122 HydrophobicContact CD-CG 4.36Å; K89-E122 HydrophobicContact CG-CB 4.3Å; K89-E122 IonicContact NZ-OE1 2.75Å; L90-E122 WeakPolarHBondContact O-CA 3.29Å; L90-E122 PolarHBondContact O-N 2.9Å; R120-E122 PolarHBondContact O-N 3.29Å; E122-N260 HydrophobicContact CB-CB 4.49Å; E122-N260 PolarHBondContact OE2-ND2 2.89Å; E122-N260 VanDerWaalsContact OE2-ND2 3.16Å; E122-K882 WeakPolarHBondContact OE2-CE 3.25Å; E122-K882 IonicContact OE2-NZ 2.7Å; E122-K882 PolarHBondContact OE2-NZ 2.78Å
123	D	87.8	Confident	88.5	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.011	18%	0.182	C	C	.	.			trans	-64.1	144.8	166.2	-67.7	-15.4	0	0	0	110.1	L90 R120 N121 V125 I256 N260 N263	L90-D123 PolarHBondContact N-O 3.31Å; R120-D123 PolarHBondContact N-OD2 3.44Å; R120-D123 VanDerWaalsContact O-CB 3.32Å; R120-D123 WeakPolarHBondContact O-CB 3.43Å; R120-D123 PolarHBondContact O-N 3.23Å; N121-D123 VanDerWaalsContact C-N 3.26Å; N121-D123 PolarHBondContact O-N 3.16Å; D123-V125 HydrophobicContact CB-CG1 4.32Å; D123-I256 HydrophobicContact CB-CG2 4.13Å; D123-N260 WeakPolarHBondContact OD1-CB 3.43Å; D123-N260 PolarHBondContact OD1-N 3.01Å; D123-N263 PolarHBondContact OD1-ND2 3.3Å; D123-N263 VanDerWaalsContact OD1-ND2 3.09Å
124	I	86.7	Confident	89	Confident	27 Å²	27	35 Å²	35	14%	0.138	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.6	172.9	-52.3	-56.9	0	0	0	107.8	Q87 K89 L257 K258	Q87-I124 HydrophobicContact CG-CG2 4.08Å; K89-I124 HydrophobicContact CB-CD1 3.92Å; K89-I124 HydrophobicContact CG-CD1 4.11Å; I124-L257 HydrophobicContact CG2-CB 4.27Å; I124-L257 HydrophobicContact CG2-CD1 4.37Å; I124-L257 PolarHBondContact O-N 3.04Å; I124-K258 HydrophobicContact CB-CB 4.01Å; I124-K258 HydrophobicContact CG1-CB 4.07Å; I124-K258 PolarHBondContact N-O 2.76Å; I124-K258 PolarHBondContact O-N 2.62Å
125	V	91	Very high	89.4	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.8	-170.5	-68.1	0	0	0	0	111.9	Q87 A88 L90 V100 A119 D123 V127 V253 K255 I256	Q87-V125 WeakPolarHBondContact CA-O 3.43Å; A88-V125 PolarHBondContact N-O 3.41Å; A88-V125 VanDerWaalsContact O-CG2 3.3Å; A88-V125 WeakPolarHBondContact O-CG2 3.41Å; A88-V125 PolarHBondContact O-N 3.23Å; L90-V125 HydrophobicContact CB-CG1 4.44Å; L90-V125 HydrophobicContact CB-CG2 4.12Å; V100-V125 HydrophobicContact CG1-CG2 3.94Å; A119-V125 HydrophobicContact CB-CG1 3.58Å; D123-V125 HydrophobicContact CB-CG1 4.32Å; V125-V127 HydrophobicContact CB-CG2 4.45Å; V125-V127 HydrophobicContact CG2-CG2 3.74Å; V125-V253 HydrophobicContact CB-CG1 3.92Å; V125-V253 HydrophobicContact CB-CG2 4.19Å; V125-V253 HydrophobicContact CG1-CG1 3.8Å; V125-V253 HydrophobicContact CG1-CG2 4.25Å; V125-V253 HydrophobicContact CG2-CG2 4.27Å; V125-K255 CarbonylContact C-O 3.56Å; V125-K255 WeakPolarHBondContact CA-O 3.19Å; V125-I256 HydrophobicContact CG1-CG1 4.36Å
126	L	91.9	Very high	89.5	Confident	3 Å²	3	29.1 Å²	29.1	2%	0.016	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	114	167	-154.2	89	0	0	0	108.1	I76 L80 L85 I86 Q87 R254 K255 L257	I76-L126 HydrophobicContact CG1-CD2 4.45Å; I76-L126 HydrophobicContact CG2-CD1 3.96Å; I76-L126 HydrophobicContact CG2-CD2 4.29Å; L80-L126 HydrophobicContact CD2-CD1 4.28Å; L85-L126 HydrophobicContact CB-CD2 4.47Å; L85-L126 HydrophobicContact CB-CG 4.43Å; L85-L126 HydrophobicContact CD1-CD2 3.67Å; L85-L126 HydrophobicContact CD1-CG 4.5Å; L85-L126 HydrophobicContact CD2-CD2 3.8Å; L85-L126 HydrophobicContact CD2-CG 4.09Å; L85-L126 HydrophobicContact CG-CD2 4.19Å; I86-L126 WeakPolarHBondContact O-CA 3.49Å; Q87-L126 HydrophobicContact CB-CD1 4.42Å; L126-R254 PolarHBondContact O-N 3.22Å; L126-K255 HydrophobicContact CB-CB 4.08Å; L126-K255 PolarHBondContact N-O 3.27Å; L126-L257 HydrophobicContact CB-CD1 4.41Å; L126-L257 HydrophobicContact CB-CG 4.4Å; L126-L257 HydrophobicContact CD1-CD1 3.99Å
127	V	92.7	Very high	89.4	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.2	-176.3	178.9	0	0	0	0	110	L85 I86 V100 I111 V125 V252 V253	L85-V127 CarbonylContact C-O 3.57Å; L85-V127 WeakPolarHBondContact CA-O 3.43Å; I86-V127 PolarHBondContact N-O 3.12Å; I86-V127 PolarHBondContact O-N 3.3Å; V100-V127 HydrophobicContact CG1-CG2 3.91Å; V100-V127 HydrophobicContact CG2-CG1 4.46Å; V100-V127 HydrophobicContact CG2-CG2 4.08Å; I111-V127 HydrophobicContact CD1-CG1 3.61Å; I111-V127 HydrophobicContact CD1-CG2 4.07Å; V125-V127 HydrophobicContact CB-CG2 4.45Å; V125-V127 HydrophobicContact CG2-CG2 3.74Å; V127-V252 WeakPolarHBondContact CA-O 3.49Å; V127-V253 HydrophobicContact CG2-CG2 4.29Å
128	E	93.5	Very high	89.2	Confident	38 Å²	38	26.3 Å²	26.3	18%	0.178	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135	168.1	-170.7	-174.1	-179.4	0	0	109.7	F71 L85 G251 V252 R254	F71-E128 WeakPolarHBondContact CE2-OE2 3.47Å; L85-E128 HydrophobicContact CD2-CB 3.74Å; L85-E128 HydrophobicContact CD2-CG 4.3Å; E128-G251 CarbonylContact O-C 3.55Å; E128-G251 WeakPolarHBondContact O-CA 3.39Å; E128-V252 HydrophobicContact CB-CG1 4.06Å; E128-V252 PolarHBondContact N-O 2.96Å; E128-V252 PolarHBondContact O-N 3.24Å; E128-R254 HydrophobicContact CB-CG 3.85Å; E128-R254 IonicContact OE2-CZ 3.83Å; E128-R254 IonicContact OE2-NE 3.2Å; E128-R254 PolarHBondContact OE2-NE 3.13Å; E128-R254 IonicContact OE2-NH2 2.67Å; E128-R254 PolarHBondContact OE2-NH2 2.84Å
129	L	91.9	Very high	88.3	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	134.7	173.9	-72.7	178.8	0	0	0	110.9	S84 I86 I109 I235 P236 A238 R249	S84-L129 PolarHBondContact O-N 3.49Å; I86-L129 HydrophobicContact CD1-CD1 4.4Å; I86-L129 HydrophobicContact CD1-CD2 4.27Å; I86-L129 HydrophobicContact CD1-CG 4.23Å; I109-L129 HydrophobicContact CD1-CD2 3.95Å; I109-L129 HydrophobicContact CG1-CD2 4.47Å; I109-L129 HydrophobicContact CG2-CD2 3.9Å; L129-I235 HydrophobicContact CB-CG2 4.45Å; L129-P236 VanDerWaalsContact CD1-O 3.24Å; L129-P236 WeakPolarHBondContact CD1-O 3.37Å; L129-A238 HydrophobicContact CD1-CB 3.8Å; L129-R249 HydrophobicContact CD2-CB 4.01Å
130	L	92.3	Very high	87.3	Confident	30 Å²	30	26.9 Å²	26.9	16%	0.157	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-81.5	158.7	172.5	-63.2	176.4	0	0	0	110.9	K134 W135 T250 V252	L130-K134 HydrophobicContact CB-CB 3.82Å; L130-K134 HydrophobicContact CB-CG 4.35Å; L130-K134 HydrophobicContact CD1-CB 4.13Å; L130-W135 PolarHBondContact O-NE1 3.16Å; L130-T250 WeakPolarHBondContact CB-O 3.24Å; L130-T250 HydrophobicContact CD1-CG2 4.14Å; L130-T250 PolarHBondContact N-O 3.08Å; L130-V252 HydrophobicContact CD2-CB 4.37Å; L130-V252 HydrophobicContact CD2-CG1 4.04Å
131	P	92	Very high	85.9	Confident	39 Å²	39	30.7 Å²	30.7	25%	0.253	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-53.1	152.6	172.7	-25.2	32.4	0	0	0	113.1	G133 K134 W135 Y234 I235	P131-G133 PolarHBondContact O-N 3.28Å; P131-G133 VanDerWaalsContact O-N 3.11Å; P131-K134 WeakPolarHBondContact O-CB 3.37Å; P131-K134 PolarHBondContact O-N 3.33Å; P131-W135 VanDerWaalsContact O-CD1 3.31Å; P131-Y234 CarbonylContact C-O 3.54Å; P131-Y234 VanDerWaalsContact CA-O 3.3Å; P131-Y234 WeakPolarHBondContact CA-O 3.46Å; P131-I235 HydrophobicContact CB-CG1 4.23Å; P131-I235 HydrophobicContact CG-CD1 4.26Å; P131-I235 HydrophobicContact CG-CG1 3.81Å
132	I	89.5	Confident	84.6	Confident	5 Å²	5	34.5 Å²	34.5	3%	0.026	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-50.9	-40.8	-178.2	-77.5	-175.6	0	0	0	112.1	K134 W135 I208 L230 L232 Y234 P236	I132-K134 PolarHBondContact O-N 3.35Å; I132-W135 HydrophobicContact CG1-CD2 4.3Å; I132-W135 HydrophobicContact CG1-CE3 4.36Å; I132-W135 HydrophobicContact CG1-CH2 4.31Å; I132-W135 HydrophobicContact CG1-CZ2 4.25Å; I132-W135 HydrophobicContact CG1-CZ3 4.36Å; I132-W135 WeakPolarHBondContact O-CB 3.43Å; I132-W135 PolarHBondContact O-N 3.36Å; I132-I208 HydrophobicContact CG2-CD1 4.19Å; I132-I208 WeakPolarHBondContact O-CD1 3.15Å; I132-L230 HydrophobicContact CD1-CD2 3.97Å; I132-L230 HydrophobicContact CG2-CB 4.14Å; I132-L230 HydrophobicContact CG2-CD1 4.06Å; I132-L232 HydrophobicContact CG2-CD2 4.1Å; I132-Y234 HydrophobicContact CD1-CD1 4.27Å; I132-Y234 PolarHBondContact N-O 3.39Å; I132-P236 HydrophobicContact CD1-CG 3.56Å; I132-P236 HydrophobicContact CG1-CG 3.36Å
133	G	89.6	Confident	83.3	Confident	19 Å²	19	32.6 Å²	32.6	20%	0.196	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-60.7	-18.4	-179.8	0	0	0	0	0	114.8	P131 L232	P131-G133 PolarHBondContact O-N 3.28Å; P131-G133 VanDerWaalsContact O-N 3.11Å; G133-L232 PolarHBondContact N-O 3.24Å
134	K	90.9	Very high	81.4	Confident	141 Å²	141	39.6 Å²	39.6	61%	0.613	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-91.6	-6.7	174.8	-66.3	-84.1	-175.6	171.7	0	112.8	L130 P131 I132 T250	L130-K134 HydrophobicContact CB-CB 3.82Å; L130-K134 HydrophobicContact CB-CG 4.35Å; L130-K134 HydrophobicContact CD1-CB 4.13Å; P131-K134 WeakPolarHBondContact O-CB 3.37Å; P131-K134 PolarHBondContact O-N 3.33Å; I132-K134 PolarHBondContact O-N 3.35Å; K134-T250 PolarHBondContact O-OG1 3.45Å
135	W	91.2	Very high	79.4	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.008	23%	0.228	C	C	.	.			trans	-66.7	159.8	179.9	-69.3	13.8	0	0	0	111.6	L130 P131 I132 I208 P236 L242 L247 V248 R249 T250	L130-W135 PolarHBondContact O-NE1 3.16Å; P131-W135 VanDerWaalsContact O-CD1 3.31Å; I132-W135 HydrophobicContact CG1-CD2 4.3Å; I132-W135 HydrophobicContact CG1-CE3 4.36Å; I132-W135 HydrophobicContact CG1-CH2 4.31Å; I132-W135 HydrophobicContact CG1-CZ2 4.25Å; I132-W135 HydrophobicContact CG1-CZ3 4.36Å; I132-W135 WeakPolarHBondContact O-CB 3.43Å; I132-W135 PolarHBondContact O-N 3.36Å; W135-I208 HydrophobicContact CB-CD1 4.32Å; W135-P236 HydrophobicContact CH2-CB 3.95Å; W135-P236 HydrophobicContact CH2-CG 3.59Å; W135-P236 HydrophobicContact CZ2-CB 4.01Å; W135-P236 HydrophobicContact CZ2-CG 3.48Å; W135-P236 VanDerWaalsContact CZ2-CG 3.48Å; W135-L242 HydrophobicContact CE3-CD2 4.38Å; W135-L242 HydrophobicContact CH2-CD2 4.32Å; W135-L242 HydrophobicContact CZ3-CD2 3.7Å; W135-L247 HydrophobicContact CB-CD2 4.27Å; W135-L247 HydrophobicContact CE3-CB 4.3Å; W135-L247 HydrophobicContact CE3-CD2 4.24Å; W135-V248 WeakPolarHBondContact CB-O 3.49Å; W135-R249 HydrophobicContact CD2-CB 4.39Å; W135-R249 HydrophobicContact CD2-CG 4.38Å; W135-R249 HydrophobicContact CE3-CG 4.3Å; W135-R249 HydrophobicContact CH2-CG 3.64Å; W135-R249 HydrophobicContact CZ2-CB 4.15Å; W135-R249 HydrophobicContact CZ2-CG 3.7Å; W135-R249 HydrophobicContact CZ3-CG 3.96Å; W135-T250 WeakPolarHBondContact CA-OG1 3.36Å
136	K	89.4	Confident	76.6	Confident	56 Å²	56	49.3 Å²	49.3	24%	0.243	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	158.7	179.8	-61	-64.8	-175.7	172.7	0	110.7	V205 Y206 V248 T250	K136-V205 HydrophobicContact CB-CB 3.89Å; K136-V205 HydrophobicContact CB-CG1 3.58Å; K136-V205 HydrophobicContact CD-CB 4.42Å; K136-V205 HydrophobicContact CG-CB 4.18Å; K136-V205 HydrophobicContact CG-CG1 4.23Å; K136-Y206 CarbonylContact C-O 3.2Å; K136-Y206 VanDerWaalsContact CA-O 3.25Å; K136-Y206 WeakPolarHBondContact CA-O 3.48Å; K136-V248 HydrophobicContact CB-CB 4.46Å; K136-V248 PolarHBondContact N-O 3.18Å; K136-V248 PolarHBondContact O-N 3.1Å; K136-T250 PolarHBondContact N-OG1 3.2Å
137	L	86.8	Confident	73.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.3	176.4	-78.6	150.1	0	0	0	110.4	I140 V205 Y206 I208 V211 L223 I227 H246 L247	L137-I140 HydrophobicContact CB-CD1 3.83Å; L137-I140 HydrophobicContact CD1-CD1 4.45Å; L137-I140 HydrophobicContact CG-CD1 4.5Å; L137-V205 VanDerWaalsContact O-CA 3.31Å; L137-V205 WeakPolarHBondContact O-CA 3.43Å; L137-Y206 PolarHBondContact N-O 2.83Å; L137-Y206 PolarHBondContact O-N 2.81Å; L137-I208 HydrophobicContact CD1-CB 4.47Å; L137-I208 HydrophobicContact CD1-CG1 3.77Å; L137-I208 HydrophobicContact CG-CG1 4.45Å; L137-V211 HydrophobicContact CB-CG2 4.35Å; L137-V211 HydrophobicContact CD1-CB 3.91Å; L137-V211 HydrophobicContact CD1-CG1 3.94Å; L137-V211 HydrophobicContact CD1-CG2 3.68Å; L137-L223 HydrophobicContact CD2-CD1 3.78Å; L137-L223 HydrophobicContact CD2-CD2 4.4Å; L137-I227 HydrophobicContact CD1-CD1 3.6Å; L137-I227 HydrophobicContact CD1-CG1 4.5Å; L137-I227 HydrophobicContact CD2-CD1 3.93Å; L137-I227 HydrophobicContact CG-CD1 4.42Å; L137-H246 WeakPolarHBondContact CA-O 3.18Å; L137-H246 HydrophobicContact CD2-CB 4.12Å; L137-L247 HydrophobicContact CD2-CD2 4.08Å; L137-L247 HydrophobicContact CD2-CG 4.11Å; L137-L247 HydrophobicContact CG-CD2 4.24Å
138	T	82.2	Confident	70.3	Confident	26 Å²	26	66.2 Å²	66.2	16%	0.16	34%	0.341	C	S	.	.			trans	-125	155	179.4	59.5	0	0	0	0	111.8	F203 V205 H246 V248	T138-F203 HydrophobicContact CG2-CD1 4.37Å; T138-F203 HydrophobicContact CG2-CE1 4.49Å; T138-V205 HydrophobicContact CG2-CG1 3.44Å; T138-V205 VanDerWaalsContact CG2-CG1 3.44Å; T138-H246 PolarHBondContact N-O 2.88Å; T138-H246 PolarHBondContact O-ND1 3.37Å; T138-H246 PolarHBondContact OG1-O 2.99Å; T138-V248 HydrophobicContact CG2-CG2 3.51Å
139	G	67.6	Low	66.9	Low	56 Å²	56	71.6 Å²	71.6	58%	0.577	37%	0.371	S	S	*	.			trans	74.5	24.5	171.6	0	0	0	0	0	115
140	I	66.7	Low	63.7	Low	19 Å²	19	78.7 Å²	78.7	10%	0.097	41%	0.407	C	S	.	.			trans	-91.2	114.7	174.4	-48.9	174.2	0	0	0	108.8	L137 L143 V211 I218 L223	L137-I140 HydrophobicContact CB-CD1 3.83Å; L137-I140 HydrophobicContact CD1-CD1 4.45Å; L137-I140 HydrophobicContact CG-CD1 4.5Å; I140-L143 HydrophobicContact CB-CD1 4.15Å; I140-L143 HydrophobicContact CD1-CD1 4.42Å; I140-L143 HydrophobicContact CG2-CD1 3.65Å; I140-V211 HydrophobicContact CD1-CG1 3.94Å; I140-V211 HydrophobicContact CD1-CG2 3.67Å; I140-I218 HydrophobicContact CG2-CD1 4.39Å; I140-I218 HydrophobicContact CG2-CG1 4.15Å; I140-I218 HydrophobicContact CG2-CG2 4.16Å; I140-L223 HydrophobicContact CD1-CD2 3.9Å; I140-L223 HydrophobicContact CG1-CD2 3.92Å
141	E	57.6	Low	60.3	Low	96 Å²	96	82.4 Å²	82.4	45%	0.449	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	150.7	175.1	-60.8	-169.7	154.2	0	0	110.4
142	N	60.1	Low	57	Low	119 Å²	119	86.6 Å²	86.6	64%	0.636	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	13.9	177.1	-49	-33.7	0	0	0	118.4
143	L	57.7	Low	53.8	Low	5 Å²	5	92 Å²	92	3%	0.026	49%	0.494	C	S	.	.			trans	-101.5	114.8	165.9	-81.7	153.2	0	0	0	110.2	I140 R204 Y206 Y210 V211 N214 I218	I140-L143 HydrophobicContact CB-CD1 4.15Å; I140-L143 HydrophobicContact CD1-CD1 4.42Å; I140-L143 HydrophobicContact CG2-CD1 3.65Å; L143-R204 PolarHBondContact O-NH1 2.85Å; L143-R204 VanDerWaalsContact O-NH1 3.17Å; L143-Y206 HydrophobicContact CB-CE1 4Å; L143-Y206 HydrophobicContact CB-CE2 4.26Å; L143-Y206 PolarHBondContact O-OH 3.41Å; L143-Y210 HydrophobicContact CD2-CD1 4.26Å; L143-Y210 HydrophobicContact CD2-CE1 3.61Å; L143-V211 HydrophobicContact CD1-CG2 4.45Å; L143-N214 HydrophobicContact CD2-CB 3.46Å; L143-N214 VanDerWaalsContact CD2-CB 3.46Å; L143-I218 HydrophobicContact CD1-CD1 3.97Å; L143-I218 HydrophobicContact CD1-CG1 3.97Å
144	E	47.6	Very low	50.6	Low	149 Å²	149	97.3 Å²	97.3	70%	0.696	51%	0.513	S	S	*	.			trans	-101.1	133.9	164.3	-64.4	-149.9	133	0	0	109.2	Y210	E144-Y210 PolarHBondContact O-OH 3.28Å
145	P	44.8	Very low	47.3	Very low	71 Å²	71	97.5 Å²	97.5	46%	0.461	53%	0.527	S	S	.	.			trans	-70.8	133	170.3	9.7	3.2	0	0	0	109.2	E147	P145-E147 PolarHBondContact O-N 3.27Å
146	Q	32.9	Very low	44	Very low	160 Å²	160	102.4 Å²	102.4	75%	0.748	56%	0.557	S	S	*	*			trans	-67	113.7	155.2	-75.7	-165.5	-18.1	0	0	106.8	K148	Q146-K148 VanDerWaalsContact C-N 3.29Å; Q146-K148 PolarHBondContact O-N 3.16Å
147	E	27.8	Very low	40.8	Very low	194 Å²	194	107.4 Å²	107.4	91%	0.907	58%	0.584	S	S	*	*			trans	-60.7	94.6	166.2	-74.9	178.2	169.5	0	0	108	P145	P145-E147 PolarHBondContact O-N 3.27Å
148	K	24.5	Very low	37.9	Very low	165 Å²	165	111.7 Å²	111.7	72%	0.717	61%	0.614	S	S	*	*			trans	-101.9	105.7	164.6	-90.8	-175	176.3	176.1	0	107.9	Q146 I150	Q146-K148 VanDerWaalsContact C-N 3.29Å; Q146-K148 PolarHBondContact O-N 3.16Å; K148-I150 PolarHBondContact O-N 3.23Å
149	D	22.8	Very low	35	Very low	151 Å²	151	117.6 Å²	117.6	81%	0.807	65%	0.645	S	S	*	*			trans	22	86.4	149	-60.5	-36.8	0	0	0	115.7
150	I	24.4	Very low	32.9	Very low	149 Å²	149	119.8 Å²	119.8	76%	0.764	65%	0.647	S	S	*	*			trans	-96	85.7	146.1	-60.6	175.6	0	0	0	105.2	K148 D152	K148-I150 PolarHBondContact O-N 3.23Å; I150-D152 HydrophobicContact CG2-CB 4.05Å; I150-D152 PolarHBondContact O-N 3.08Å
151	S	20.4	Very low	30.8	Very low	109 Å²	109	126.6 Å²	126.6	76%	0.762	68%	0.682	S	S	*	*			trans	-74.6	67.6	161.3	46.7	0	0	0	0	108.7
152	D	22.1	Very low	29.2	Very low	127 Å²	127	129.5 Å²	129.5	68%	0.679	70%	0.696	S	S	*	*			trans	-107.2	113.1	156.7	-83.4	-33.8	0	0	0	106.7	I150 E154	I150-D152 HydrophobicContact CG2-CB 4.05Å; I150-D152 PolarHBondContact O-N 3.08Å; D152-E154 VanDerWaalsContact C-N 3.32Å; D152-E154 PolarHBondContact O-N 3.41Å
153	S	21.8	Very low	27.4	Very low	117 Å²	117	129.1 Å²	129.1	82%	0.818	70%	0.702	S	S	*	*			trans	-46.5	90.9	171	44.8	0	0	0	0	111.4
154	E	22.7	Very low	25.7	Very low	131 Å²	131	134.6 Å²	134.6	61%	0.612	74%	0.736	S	S	*	*			trans	-114.5	93.2	154.4	-63.9	-157.6	144.1	0	0	106.6	D152 V156 K339	D152-E154 VanDerWaalsContact C-N 3.32Å; D152-E154 PolarHBondContact O-N 3.41Å; E154-V156 HydrophobicContact CB-CG2 4.23Å; E154-V156 PolarHBondContact O-N 3.46Å; E154-K339 IonicContact OE1-NZ 3.32Å; E154-K339 PolarHBondContact OE1-NZ 2.83Å
155	T	21.6	Very low	24.6	Very low	145 Å²	145	135.4 Å²	135.4	89%	0.89	75%	0.745	S	S	*	*			trans	-60.2	81.8	155.9	36.3	0	0	0	0	107.8
156	V	23.2	Very low	23.5	Very low	106 Å²	106	141 Å²	141	64%	0.642	77%	0.765	S	S	*	*			trans	-79.8	113.4	157.2	176.9	0	0	0	0	104.8	E154 S158	E154-V156 HydrophobicContact CB-CG2 4.23Å; E154-V156 PolarHBondContact O-N 3.46Å; V156-S158 VanDerWaalsContact C-N 3.31Å; V156-S158 PolarHBondContact O-N 3.37Å
157	I	22.7	Very low	23	Very low	160 Å²	160	138.7 Å²	138.7	82%	0.821	77%	0.767	S	S	*	*			trans	-57.4	101.3	166.8	-63.4	169.6	0	0	0	106
158	S	24.4	Very low	22.9	Very low	90 Å²	90	134.6 Å²	134.6	63%	0.629	76%	0.76	S	S	*	*			trans	-84.6	111.7	171.8	50.4	0	0	0	0	108	V156 T160	V156-S158 VanDerWaalsContact C-N 3.31Å; V156-S158 PolarHBondContact O-N 3.37Å; S158-T160 PolarHBondContact O-N 2.89Å; S158-T160 PolarHBondContact O-OG1 3.1Å
159	D	22.3	Very low	22.8	Very low	151 Å²	151	133 Å²	133	81%	0.807	76%	0.763	S	S	*	*			trans	-45	100.3	167.2	-69.8	-41.5	0	0	0	110.7
160	T	22.6	Very low	22.9	Very low	101 Å²	101	132.7 Å²	132.7	62%	0.62	76%	0.761	S	S	*	*			trans	-119.1	82.4	162.8	-48.7	0	0	0	0	106.5	S158 Q162	S158-T160 PolarHBondContact O-N 2.89Å; S158-T160 PolarHBondContact O-OG1 3.1Å; T160-Q162 HydrophobicContact CG2-CG 4.06Å; T160-Q162 PolarHBondContact O-N 3.11Å
161	I	23.1	Very low	22.8	Very low	163 Å²	163	132.4 Å²	132.4	84%	0.836	76%	0.761	S	S	*	*			trans	-71.6	88.2	160.1	-60.5	174.5	0	0	0	105.9
162	Q	23.2	Very low	23.1	Very low	157 Å²	157	132.8 Å²	132.8	73%	0.734	76%	0.764	S	S	*	*			trans	-87	107.2	155.3	-90.8	-177.7	-14.5	0	0	107.4	T160 T164	T160-Q162 HydrophobicContact CG2-CG 4.06Å; T160-Q162 PolarHBondContact O-N 3.11Å; Q162-T164 PolarHBondContact O-N 3.37Å
163	S	22.5	Very low	23.3	Very low	110 Å²	110	132.4 Å²	132.4	77%	0.769	77%	0.768	S	S	*	*			trans	-61.4	113.3	158.7	53.2	0	0	0	0	108.7
164	T	23	Very low	23.3	Very low	121 Å²	121	133 Å²	133	74%	0.742	77%	0.767	S	S	*	*			trans	-140.3	127.5	161.6	47	0	0	0	0	110.1	Q162	Q162-T164 PolarHBondContact O-N 3.37Å
165	D	23.2	Very low	23.4	Very low	165 Å²	165	134.2 Å²	134.2	88%	0.882	78%	0.777	S	S	*	*			trans	-53.2	153.6	-176.2	-63.3	-57.1	0	0	0	115	S167	D165-S167 PolarHBondContact O-N 3.31Å
166	E	21.8	Very low	23.5	Very low	189 Å²	189	132.8 Å²	132.8	88%	0.883	77%	0.773	S	S	*	*			trans	-60.3	123.1	166.2	-65	-178.3	150.2	0	0	111.2
167	S	23.8	Very low	23.6	Very low	111 Å²	111	132.8 Å²	132.8	78%	0.776	78%	0.778	S	S	*	*				168	138.6	126.5	47.7	0	0	0	0	114.8	D165	D165-S167 PolarHBondContact O-N 3.31Å
168	S	25	Very low	23.6	Very low	109 Å²	109	135.7 Å²	135.7	76%	0.762	79%	0.785	S	S	*	*			trans	82.6	92	155.2	68.2	0	0	0	0	122.1
169	V	22.6	Very low	23.5	Very low	130 Å²	130	139.8 Å²	139.8	79%	0.788	79%	0.794	S	S	*	*				55.6	127.6	110.6	-178.5	0	0	0	0	122.3
170	L	23.7	Very low	23.6	Very low	146 Å²	146	137 Å²	137	76%	0.764	79%	0.792	S	S	*	*			trans	103.2	104.6	147.3	-86	155.8	0	0	0	122.2
171	D	22.6	Very low	23.5	Very low	143 Å²	143	138.8 Å²	138.8	77%	0.765	80%	0.803	S	S	*	*			trans	51.3	114	136.7	-70.3	-6.2	0	0	0	124.3
172	S	26.2	Very low	23.6	Very low	117 Å²	117	135.1 Å²	135.1	82%	0.818	79%	0.787	S	S	*	*				177.8	156.3	99.5	45.9	0	0	0	0	112.3
173	P	26.3	Very low	23.5	Very low	118 Å²	118	132.4 Å²	132.4	77%	0.766	79%	0.792	S	S	*	*			trans	-108.4	175.6	-156.6	38.2	-28	0	0	0	115.5
174	V	22.5	Very low	23.7	Very low	131 Å²	131	131 Å²	131	79%	0.794	78%	0.782	S	S	*	*			trans	100.7	91.9	166.3	-166.9	0	0	0	0	115
175	D	25.6	Very low	23.7	Very low	155 Å²	155	134.6 Å²	134.6	83%	0.829	79%	0.79	S	S	*	*				-159.1	143.5	106.8	-128.1	-18.6	0	0	0	111.9
176	S	22	Very low	23.7	Very low	115 Å²	115	130.3 Å²	130.3	80%	0.804	77%	0.774	S	S	*	*			trans	-87.5	109.9	-166.1	52.9	0	0	0	0	113.2
177	S	25.8	Very low	23.9	Very low	107 Å²	107	125 Å²	125	75%	0.748	76%	0.755	S	S	*	*			trans	-143.7	114.8	154	52.6	0	0	0	0	109.3	E179	S177-E179 PolarHBondContact O-N 3.47Å; S177-E179 VanDerWaalsContact O-N 3.16Å
178	F	22.5	Very low	24	Very low	221 Å²	221	124.3 Å²	124.3	97%	0.969	74%	0.742	S	S	*	*			trans	-66.7	104.3	-179.9	-107	-102.7	0	0	0	110.3
179	E	22.6	Very low	24.1	Very low	176 Å²	176	123.6 Å²	123.6	82%	0.822	73%	0.729	S	S	*	*			trans	-93.8	117.7	160.2	-80.4	-175.4	158.4	0	0	109.2	S177 V181	S177-E179 PolarHBondContact O-N 3.47Å; S177-E179 VanDerWaalsContact O-N 3.16Å; E179-V181 PolarHBondContact O-N 3.42Å
180	A	24.8	Very low	24.3	Very low	91 Å²	91	121.6 Å²	121.6	75%	0.752	73%	0.726	S	S	*	*			trans	-75.5	107.1	166.1	0	0	0	0	0	108.2	V182	A180-V182 PolarHBondContact O-N 3.41Å
181	V	21.5	Very low	24.5	Very low	140 Å²	140	120.1 Å²	120.1	85%	0.848	72%	0.719	S	S	*	*			trans	-62.6	100.9	168.4	177.6	0	0	0	0	108.4	E179	E179-V181 PolarHBondContact O-N 3.42Å
182	V	24.9	Very low	24.8	Very low	85 Å²	85	119.5 Å²	119.5	52%	0.515	71%	0.711	S	S	.	*			trans	-97.3	100.1	167.3	-179.7	0	0	0	0	107.5	A180 S184	A180-V182 PolarHBondContact O-N 3.41Å; V182-S184 PolarHBondContact O-N 2.85Å
183	A	20.9	Very low	24.8	Very low	101 Å²	101	116.1 Å²	116.1	84%	0.835	69%	0.686	S	S	*	*			trans	-70.6	102.8	161.5	0	0	0	0	0	108.2
184	S	27	Very low	24.8	Very low	79 Å²	79	113 Å²	113	55%	0.552	67%	0.665	S	S	*	*			trans	-146.4	90.1	164.2	61.8	0	0	0	0	109.9	V182 S186	V182-S184 PolarHBondContact O-N 2.85Å; S184-S186 VanDerWaalsContact C-N 3.34Å; S184-S186 PolarHBondContact O-N 3.24Å; S184-S186 VanDerWaalsContact O-N 3.09Å
185	E	22.4	Very low	25.1	Very low	197 Å²	197	109.2 Å²	109.2	92%	0.921	65%	0.645	S	S	*	*			trans	-65.6	98.4	154.3	-71.6	-179.6	165.8	0	0	107.3
186	S	24	Very low	25.2	Very low	76 Å²	76	104.8 Å²	104.8	53%	0.531	62%	0.624	S	S	.	*			trans	-131.4	99.2	169.2	-66.5	0	0	0	0	107.2	S184 I188	S184-S186 VanDerWaalsContact C-N 3.34Å; S184-S186 PolarHBondContact O-N 3.24Å; S184-S186 VanDerWaalsContact O-N 3.09Å; S186-I188 PolarHBondContact O-N 2.73Å
187	P	24.6	Very low	25.5	Very low	76 Å²	76	104 Å²	104	49%	0.494	61%	0.614	S	S	.	*			trans	-73	86.6	166.6	31.6	-30.7	0	0	0	106.7	T1008	P187-T1008 HydrophobicContact CG-CG2 3.41Å; P187-T1008 VanDerWaalsContact CG-CG2 3.41Å
188	I	26.3	Very low	25.8	Very low	97 Å²	97	102.6 Å²	102.6	50%	0.497	60%	0.597	S	S	.	*			trans	-64.6	134.3	170	-63.3	174.8	0	0	0	106.7	S186 A190 S297	S186-I188 PolarHBondContact O-N 2.73Å; I188-A190 PolarHBondContact O-N 3.15Å; I188-S297 WeakPolarHBondContact CD1-O 3.46Å; I188-S297 VanDerWaalsContact CG2-O 3.29Å; I188-S297 WeakPolarHBondContact CG2-O 3.39Å
189	L	27.9	Very low	26.1	Very low	94 Å²	94	96.3 Å²	96.3	49%	0.492	57%	0.571	S	S	.	*			trans	-49.3	85.9	169	-92.6	87.3	0	0	0	110.1	T1010	L189-T1010 HydrophobicContact CD1-CG2 4.24Å
190	A	25.5	Very low	26.7	Very low	88 Å²	88	92.2 Å²	92.2	73%	0.727	55%	0.551	S	S	*	*			trans	-93.1	110.4	169.5	0	0	0	0	0	107.3	I188	I188-A190 PolarHBondContact O-N 3.15Å
191	D	28.8	Very low	27.3	Very low	115 Å²	115	94.6 Å²	94.6	62%	0.615	54%	0.544	S	S	*	.			trans	49.2	78.4	162.8	-77.9	-21.3	0	0	0	116.5	T193	D191-T193 PolarHBondContact O-N 3.47Å
192	Q	28.6	Very low	28.4	Very low	130 Å²	130	95 Å²	95	61%	0.607	53%	0.534	S	S	*	.			trans	-73.1	14.9	152.2	-73.6	-167.9	-0.6	0	0	112.9	H892	Q192-H892 PolarHBondContact NE2-CD2 3.3Å; Q192-H892 PolarHBondContact NE2-NE2 3.2Å
193	T	26.9	Very low	29.5	Very low	47 Å²	47	96.2 Å²	96.2	29%	0.288	53%	0.533	S	S	.	.	S	Bend	trans	-60.9	136.5	155.9	50.8	0	0	0	0	107.1	D191 S195	D191-T193 PolarHBondContact O-N 3.47Å; T193-S195 PolarHBondContact O-N 3.05Å
194	P	25.5	Very low	31.5	Very low	51 Å²	51	95.6 Å²	95.6	33%	0.331	51%	0.509	S	S	.	.			trans	-49.4	118.1	167.3	23.4	-32.4	0	0	0	105	T196 V747	P194-T196 PolarHBondContact O-N 3.19Å; P194-T196 PolarHBondContact O-OG1 3.18Å; P194-V747 HydrophobicContact CB-CB 4.07Å; P194-V747 HydrophobicContact CB-CG1 4.42Å; P194-V747 HydrophobicContact CB-CG2 4.49Å; P194-V747 HydrophobicContact CG-CB 4.07Å; P194-V747 HydrophobicContact CG-CG1 4.43Å
195	S	28	Very low	33.7	Very low	52 Å²	52	94 Å²	94	36%	0.364	50%	0.496	S	S	.	.			trans	-65.6	67.3	167.3	64.9	0	0	0	0	106.7	T193 T197 R920	T193-S195 PolarHBondContact O-N 3.05Å; S195-T197 PolarHBondContact O-N 3.21Å; S195-R920 PolarHBondContact OG-NH1 3.3Å; S195-R920 PolarHBondContact OG-NH2 3.03Å
196	T	28.7	Very low	36.5	Very low	63 Å²	63	85.4 Å²	85.4	39%	0.387	46%	0.455	S	S	.	.				-59.4	75.6	122.3	61.4	0	0	0	0	105.7	P194 I198	P194-T196 PolarHBondContact O-N 3.19Å; P194-T196 PolarHBondContact O-OG1 3.18Å; T196-I198 PolarHBondContact O-N 3.26Å
197	T	27.9	Very low	39.5	Very low	98 Å²	98	83.9 Å²	83.9	60%	0.601	45%	0.445	S	S	*	.				-50.8	74.1	120.2	-24.1	0	0	0	0	104.2	S195 E199	S195-T197 PolarHBondContact O-N 3.21Å; T197-E199 PolarHBondContact O-N 3.3Å
198	I	31.8	Very low	42.4	Very low	77 Å²	77	80.3 Å²	80.3	40%	0.395	42%	0.421	S	S	.	.			trans	-47	102.6	136.5	-58.1	-178.5	0	0	0	98.6	T196 F200	T196-I198 PolarHBondContact O-N 3.26Å; I198-F200 WeakPolarHBondContact O-CD2 3.49Å; I198-F200 PolarHBondContact O-N 2.7Å
199	E	30.5	Very low	45.2	Very low	89 Å²	89	80.3 Å²	80.3	42%	0.416	42%	0.422	S	S	.	.			trans	-47.9	101.1	164.3	-92.7	166	-150.4	0	0	101.7	T197 K201 R967	T197-E199 PolarHBondContact O-N 3.3Å; E199-K201 PolarHBondContact O-N 3.09Å; E199-R967 IonicContact OE1-CZ 3.32Å; E199-R967 IonicContact OE1-NE 2.99Å; E199-R967 PolarHBondContact OE1-NE 3.07Å; E199-R967 IonicContact OE1-NH2 2.79Å; E199-R967 PolarHBondContact OE1-NH2 3.25Å; E199-R967 IonicContact OE2-NH2 3.82Å
200	F	33.5	Very low	47.9	Very low	90 Å²	90	78.4 Å²	78.4	40%	0.395	41%	0.409	S	S	.	.			trans	-63.3	87.5	161.4	-78.5	-84.7	0	0	0	99.6	I93 I198 K202 F203	I93-F200 HydrophobicContact CD1-CD1 4.44Å; I93-F200 HydrophobicContact CD1-CE1 3.68Å; I93-F200 HydrophobicContact CD1-CZ 4.04Å; I93-F200 HydrophobicContact CG2-CD2 4.46Å; I93-F200 HydrophobicContact CG2-CE1 4.21Å; I93-F200 HydrophobicContact CG2-CE2 3.95Å; I93-F200 HydrophobicContact CG2-CZ 3.81Å; I198-F200 WeakPolarHBondContact O-CD2 3.49Å; I198-F200 PolarHBondContact O-N 2.7Å; F200-K202 VanDerWaalsContact C-N 3.25Å; F200-K202 WeakPolarHBondContact O-CA 3.26Å; F200-K202 PolarHBondContact O-N 2.73Å; F200-F203 HydrophobicContact CD1-CD2 4.05Å; F200-F203 HydrophobicContact CD1-CE2 4.49Å
201	K	38.1	Very low	50.6	Low	141 Å²	141	74.2 Å²	74.2	61%	0.613	37%	0.374	S	S	*	.			trans	-33	108.4	154.7	-94.8	-170.8	171.9	-170.8	0	101.3	E199 F203	E199-K201 PolarHBondContact O-N 3.09Å; K201-F203 VanDerWaalsContact C-N 3.33Å; K201-F203 VanDerWaalsContact O-CA 3.28Å; K201-F203 WeakPolarHBondContact O-CA 3.39Å; K201-F203 PolarHBondContact O-N 3.48Å
202	K	44.3	Very low	53.2	Low	148 Å²	148	72 Å²	72	64%	0.643	36%	0.361	S	S	*	.			trans	-34.7	107.7	-170.9	-87.1	-179.5	171.6	-178.2	0	104.3	F200 R204	F200-K202 VanDerWaalsContact C-N 3.25Å; F200-K202 WeakPolarHBondContact O-CA 3.26Å; F200-K202 PolarHBondContact O-N 2.73Å; K202-R204 HydrophobicContact CB-CG 3.89Å; K202-R204 WeakPolarHBondContact O-CG 3.5Å; K202-R204 PolarHBondContact O-N 3.37Å
203	F	48.8	Very low	56	Low	111 Å²	111	72.7 Å²	72.7	49%	0.487	36%	0.364	S	S	.	.			trans	-74	75.9	-168.9	-124.9	-88.1	0	0	0	103.5	T138 F200 K201 V205	T138-F203 HydrophobicContact CG2-CD1 4.37Å; T138-F203 HydrophobicContact CG2-CE1 4.49Å; F200-F203 HydrophobicContact CD1-CD2 4.05Å; F200-F203 HydrophobicContact CD1-CE2 4.49Å; K201-F203 VanDerWaalsContact C-N 3.33Å; K201-F203 VanDerWaalsContact O-CA 3.28Å; K201-F203 WeakPolarHBondContact O-CA 3.39Å; K201-F203 PolarHBondContact O-N 3.48Å; F203-V205 PolarHBondContact O-N 3.17Å; F203-V205 VanDerWaalsContact O-N 3.09Å
204	R	63.2	Low	58.7	Low	89 Å²	89	72.4 Å²	72.4	34%	0.336	36%	0.361	S	S	.	.			trans	-76	106	-172.8	-71.5	-168.4	-175.8	179.1	-1.8	104	L143 K202 Y206	L143-R204 PolarHBondContact O-NH1 2.85Å; L143-R204 VanDerWaalsContact O-NH1 3.17Å; K202-R204 HydrophobicContact CB-CG 3.89Å; K202-R204 WeakPolarHBondContact O-CG 3.5Å; K202-R204 PolarHBondContact O-N 3.37Å; R204-Y206 HydrophobicContact CB-CE1 4.5Å; R204-Y206 HydrophobicContact CB-CE2 3.91Å; R204-Y206 WeakPolarHBondContact CD-OH 3.48Å
205	V	72.8	Confident	61.3	Low	45 Å²	45	71.7 Å²	71.7	27%	0.273	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-99.5	119.5	174.1	-103.1	0	0	0	0	107.7	K136 L137 T138 F203	K136-V205 HydrophobicContact CB-CB 3.89Å; K136-V205 HydrophobicContact CB-CG1 3.58Å; K136-V205 HydrophobicContact CD-CB 4.42Å; K136-V205 HydrophobicContact CG-CB 4.18Å; K136-V205 HydrophobicContact CG-CG1 4.23Å; L137-V205 VanDerWaalsContact O-CA 3.31Å; L137-V205 WeakPolarHBondContact O-CA 3.43Å; T138-V205 HydrophobicContact CG2-CG1 3.44Å; T138-V205 VanDerWaalsContact CG2-CG1 3.44Å; F203-V205 PolarHBondContact O-N 3.17Å; F203-V205 VanDerWaalsContact O-N 3.09Å
206	Y	81.1	Confident	63.8	Low	17 Å²	17	77.7 Å²	77.7	7%	0.067	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	149.3	177.6	-56.4	-77.7	0	0	0	110.3	K136 L137 L143 R204 Y210 V211	K136-Y206 CarbonylContact C-O 3.2Å; K136-Y206 VanDerWaalsContact CA-O 3.25Å; K136-Y206 WeakPolarHBondContact CA-O 3.48Å; L137-Y206 PolarHBondContact N-O 2.83Å; L137-Y206 PolarHBondContact O-N 2.81Å; L143-Y206 HydrophobicContact CB-CE1 4Å; L143-Y206 HydrophobicContact CB-CE2 4.26Å; L143-Y206 PolarHBondContact O-OH 3.41Å; R204-Y206 HydrophobicContact CB-CE1 4.5Å; R204-Y206 HydrophobicContact CB-CE2 3.91Å; R204-Y206 WeakPolarHBondContact CD-OH 3.48Å; Y206-Y210 AromaticContact CD1-CD1 3.68Å; Y206-Y210 HydrophobicContact CD1-CD1 3.68Å; Y206-Y210 AromaticContact CD1-CE1 3.75Å; Y206-Y210 HydrophobicContact CD1-CE1 3.75Å; Y206-Y210 HydrophobicContact CE1-CD1 4.49Å; Y206-Y210 HydrophobicContact CE1-CE1 4.12Å; Y206-Y210 HydrophobicContact CG-CD1 4.3Å; Y206-V211 HydrophobicContact CG-CG2 4.41Å
207	S	86.2	Confident	66.1	Low	44 Å²	44	79 Å²	79	31%	0.308	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	149.4	167.4	64	0	0	0	0	109.8	N209 Y210 V211	S207-N209 PolarHBondContact O-N 2.9Å; S207-Y210 PolarHBondContact O-N 2.96Å; S207-Y210 VanDerWaalsContact O-N 3.15Å; S207-Y210 VanDerWaalsContact OG-CB 3.25Å; S207-Y210 WeakPolarHBondContact OG-CB 3.5Å; S207-Y210 PolarHBondContact OG-N 3.43Å; S207-Y210 VanDerWaalsContact OG-N 3.16Å; S207-V211 WeakPolarHBondContact O-CG2 3.46Å; S207-V211 PolarHBondContact O-N 3.28Å; S207-V211 VanDerWaalsContact O-N 3.12Å
208	I	85.6	Confident	68.3	Low	1 Å²	1	75.1 Å²	75.1	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-54.2	-42.8	173.6	-72.6	170.4	0	0	0	111	I132 W135 L137 Y210 V211 M212 I227 L232 L247	I132-I208 HydrophobicContact CG2-CD1 4.19Å; I132-I208 WeakPolarHBondContact O-CD1 3.15Å; W135-I208 HydrophobicContact CB-CD1 4.32Å; L137-I208 HydrophobicContact CD1-CB 4.47Å; L137-I208 HydrophobicContact CD1-CG1 3.77Å; L137-I208 HydrophobicContact CG-CG1 4.45Å; I208-Y210 PolarHBondContact O-N 2.93Å; I208-V211 PolarHBondContact O-N 2.92Å; I208-M212 HydrophobicContact CG2-CG 4.16Å; I208-M212 WeakPolarHBondContact O-CB 3.32Å; I208-M212 VanDerWaalsContact O-CG 3.29Å; I208-M212 WeakPolarHBondContact O-CG 3.3Å; I208-M212 PolarHBondContact O-N 3.12Å; I208-I227 HydrophobicContact CG2-CG2 3.68Å; I208-L232 HydrophobicContact CD1-CD2 4.43Å; I208-L232 HydrophobicContact CG2-CD2 4.18Å; I208-L247 HydrophobicContact CD1-CD2 4.05Å; I208-L247 HydrophobicContact CG1-CD2 4.46Å
209	N	85	Confident	70.3	Confident	96 Å²	96	77 Å²	77	51%	0.513	37%	0.374	S	S	.	.	H	α-helix	trans	-59	-44.9	178.3	-67	-3.7	0	0	0	112.2	S207 V211 M212 E213	S207-N209 PolarHBondContact O-N 2.9Å; N209-V211 VanDerWaalsContact C-N 3.32Å; N209-V211 PolarHBondContact O-N 2.59Å; N209-M212 PolarHBondContact O-N 3.44Å; N209-E213 WeakPolarHBondContact O-CG 3.4Å; N209-E213 PolarHBondContact O-N 3.26Å
210	Y	84.3	Confident	72.5	Confident	55 Å²	55	75.3 Å²	75.3	22%	0.216	37%	0.369	C	S	.	.	H	α-helix	trans	-62.5	-40.6	178.5	-176.6	-100.5	0	0	0	112.2	L143 E144 Y206 S207 I208 M212 E213 N214	L143-Y210 HydrophobicContact CD2-CD1 4.26Å; L143-Y210 HydrophobicContact CD2-CE1 3.61Å; E144-Y210 PolarHBondContact O-OH 3.28Å; Y206-Y210 AromaticContact CD1-CD1 3.68Å; Y206-Y210 HydrophobicContact CD1-CD1 3.68Å; Y206-Y210 AromaticContact CD1-CE1 3.75Å; Y206-Y210 HydrophobicContact CD1-CE1 3.75Å; Y206-Y210 HydrophobicContact CE1-CD1 4.49Å; Y206-Y210 HydrophobicContact CE1-CE1 4.12Å; Y206-Y210 HydrophobicContact CG-CD1 4.3Å; S207-Y210 PolarHBondContact O-N 2.96Å; S207-Y210 VanDerWaalsContact O-N 3.15Å; S207-Y210 VanDerWaalsContact OG-CB 3.25Å; S207-Y210 WeakPolarHBondContact OG-CB 3.5Å; S207-Y210 PolarHBondContact OG-N 3.43Å; S207-Y210 VanDerWaalsContact OG-N 3.16Å; I208-Y210 PolarHBondContact O-N 2.93Å; Y210-M212 VanDerWaalsContact C-N 3.35Å; Y210-E213 PolarHBondContact O-N 2.86Å; Y210-N214 WeakPolarHBondContact CE2-ND2 3.43Å; Y210-N214 WeakPolarHBondContact O-CB 3.43Å; Y210-N214 PolarHBondContact O-N 3.41Å; Y210-N214 VanDerWaalsContact O-N 3.08Å; Y210-N214 PolarHBondContact O-ND2 3.1Å
211	V	83.7	Confident	74.6	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-65.7	-39.6	176.9	172.7	0	0	0	0	110.9	L137 I140 L143 Y206 S207 I208 N209 N214 S215 I218 I227	L137-V211 HydrophobicContact CB-CG2 4.35Å; L137-V211 HydrophobicContact CD1-CB 3.91Å; L137-V211 HydrophobicContact CD1-CG1 3.94Å; L137-V211 HydrophobicContact CD1-CG2 3.68Å; I140-V211 HydrophobicContact CD1-CG1 3.94Å; I140-V211 HydrophobicContact CD1-CG2 3.67Å; L143-V211 HydrophobicContact CD1-CG2 4.45Å; Y206-V211 HydrophobicContact CG-CG2 4.41Å; S207-V211 WeakPolarHBondContact O-CG2 3.46Å; S207-V211 PolarHBondContact O-N 3.28Å; S207-V211 VanDerWaalsContact O-N 3.12Å; I208-V211 PolarHBondContact O-N 2.92Å; N209-V211 VanDerWaalsContact C-N 3.32Å; N209-V211 PolarHBondContact O-N 2.59Å; V211-N214 CarbonylContact O-C 3.57Å; V211-N214 PolarHBondContact O-N 2.77Å; V211-S215 WeakPolarHBondContact O-CA 3.46Å; V211-S215 PolarHBondContact O-N 2.74Å; V211-I218 HydrophobicContact CB-CD1 4.26Å; V211-I218 HydrophobicContact CG1-CD1 3.27Å; V211-I227 HydrophobicContact CG1-CD1 4.1Å
212	M	83.5	Confident	76.6	Confident	68 Å²	68	75.9 Å²	75.9	34%	0.335	38%	0.382	S	S	.	.	H	α-helix	trans	-68.6	-39.8	177	-71.6	-65.6	-72.8	0	0	112.5	I208 N209 Y210 N214 S215 I227 K228	I208-M212 HydrophobicContact CG2-CG 4.16Å; I208-M212 WeakPolarHBondContact O-CB 3.32Å; I208-M212 VanDerWaalsContact O-CG 3.29Å; I208-M212 WeakPolarHBondContact O-CG 3.3Å; I208-M212 PolarHBondContact O-N 3.12Å; N209-M212 PolarHBondContact O-N 3.44Å; Y210-M212 VanDerWaalsContact C-N 3.35Å; M212-N214 VanDerWaalsContact C-N 3.28Å; M212-N214 PolarHBondContact O-N 2.99Å; M212-S215 WeakPolarHBondContact O-CB 3.23Å; M212-S215 PolarHBondContact O-N 3.06Å; M212-S215 PolarHBondContact O-OG 2.8Å; M212-I227 HydrophobicContact CG-CG2 4.14Å; M212-I227 HydrophobicContact SD-CG2 3.76Å; M212-K228 HydrophobicContact CE-CG 3.76Å; M212-K228 HydrophobicContact SD-CG 4.24Å
213	E	85.7	Confident	78.4	Confident	144 Å²	144	69 Å²	69	67%	0.673	35%	0.352	S	S	*	.	H	α-helix	trans	-64.4	-33.8	175.1	-74.5	168.7	-173.5	0	0	112.1	N209 Y210	N209-E213 WeakPolarHBondContact O-CG 3.4Å; N209-E213 PolarHBondContact O-N 3.26Å; Y210-E213 PolarHBondContact O-N 2.86Å
214	N	83.7	Confident	80	Confident	41 Å²	41	64.5 Å²	64.5	22%	0.219	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	25.4	-179.8	-64.9	-85.5	0	0	0	112.7	L143 Y210 V211 M212 Q216 N217	L143-N214 HydrophobicContact CD2-CB 3.46Å; L143-N214 VanDerWaalsContact CD2-CB 3.46Å; Y210-N214 WeakPolarHBondContact CE2-ND2 3.43Å; Y210-N214 WeakPolarHBondContact O-CB 3.43Å; Y210-N214 PolarHBondContact O-N 3.41Å; Y210-N214 VanDerWaalsContact O-N 3.08Å; Y210-N214 PolarHBondContact O-ND2 3.1Å; V211-N214 CarbonylContact O-C 3.57Å; V211-N214 PolarHBondContact O-N 2.77Å; M212-N214 VanDerWaalsContact C-N 3.28Å; M212-N214 PolarHBondContact O-N 2.99Å; N214-Q216 PolarHBondContact O-N 3.48Å; N214-N217 PolarHBondContact O-N 3.18Å
215	S	81.4	Confident	81.1	Confident	36 Å²	36	65 Å²	65	25%	0.252	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-58.4	-22.2	-174.4	65.6	0	0	0	0	113.9	V211 M212 N217 I218	V211-S215 WeakPolarHBondContact O-CA 3.46Å; V211-S215 PolarHBondContact O-N 2.74Å; M212-S215 WeakPolarHBondContact O-CB 3.23Å; M212-S215 PolarHBondContact O-N 3.06Å; M212-S215 PolarHBondContact O-OG 2.8Å; S215-N217 PolarHBondContact O-N 3.16Å; S215-I218 PolarHBondContact O-N 2.86Å
216	Q	79.9	Confident	81.6	Confident	179 Å²	179	64.2 Å²	64.2	84%	0.836	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-68.6	-24.3	-179.2	-38.1	-161.1	26.7	0	0	112.5	N214	N214-Q216 PolarHBondContact O-N 3.48Å
217	N	76.6	Confident	81.7	Confident	89 Å²	89	63.6 Å²	63.6	48%	0.476	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-94.5	0.6	-177.9	-62.8	-22.9	0	0	0	112.7	N214 S215	N214-N217 PolarHBondContact O-N 3.18Å; S215-N217 PolarHBondContact O-N 3.16Å
218	I	73.7	Confident	81.7	Confident	17 Å²	17	67.5 Å²	67.5	9%	0.087	35%	0.347	C	S	.	.			trans	-103.1	121.3	-174.7	-57.4	176.7	0	0	0	109	I140 L143 V211 S215 D220 L224	I140-I218 HydrophobicContact CG2-CD1 4.39Å; I140-I218 HydrophobicContact CG2-CG1 4.15Å; I140-I218 HydrophobicContact CG2-CG2 4.16Å; L143-I218 HydrophobicContact CD1-CD1 3.97Å; L143-I218 HydrophobicContact CD1-CG1 3.97Å; V211-I218 HydrophobicContact CB-CD1 4.26Å; V211-I218 HydrophobicContact CG1-CD1 3.27Å; S215-I218 PolarHBondContact O-N 2.86Å; I218-D220 HydrophobicContact CG2-CB 4.27Å; I218-L224 HydrophobicContact CB-CD1 3.8Å; I218-L224 HydrophobicContact CD1-CD1 3.88Å; I218-L224 HydrophobicContact CG1-CD1 4.41Å; I218-L224 HydrophobicContact CG2-CD1 3.86Å
219	T	75.1	Confident	81.8	Confident	116 Å²	116	72 Å²	72	71%	0.712	38%	0.378	S	S	*	.			trans	-83	-22.1	179.4	50.1	0	0	0	0	113.2	T221	T219-T221 PolarHBondContact O-N 2.85Å; T219-T221 VanDerWaalsContact O-N 3.08Å
220	D	76.5	Confident	81.8	Confident	55 Å²	55	69.1 Å²	69.1	29%	0.294	36%	0.363	S	S	.	.			trans	-78.3	91.3	-179.5	-167.5	-20.4	0	0	0	111.6	I218 E222 L223 L224 H246	I218-D220 HydrophobicContact CG2-CB 4.27Å; D220-E222 PolarHBondContact OD1-N 2.83Å; D220-L223 HydrophobicContact CB-CB 4Å; D220-L223 VanDerWaalsContact CG-CB 3.48Å; D220-L223 PolarHBondContact OD1-N 3.43Å; D220-L224 PolarHBondContact O-N 3.37Å; D220-H246 IonicContact OD2-NE2 3.89Å
221	T	77.8	Confident	82	Confident	101 Å²	101	70.9 Å²	70.9	62%	0.62	38%	0.376	S	S	*	.	H	α-helix	trans	-69.1	-30.4	-179.6	49.9	0	0	0	0	113.3	T219 L224 N225	T219-T221 PolarHBondContact O-N 2.85Å; T219-T221 VanDerWaalsContact O-N 3.08Å; T221-L224 PolarHBondContact O-N 3.46Å; T221-N225 WeakPolarHBondContact O-CB 3.39Å; T221-N225 VanDerWaalsContact O-CG 3.22Å; T221-N225 PolarHBondContact O-N 3.18Å; T221-N225 PolarHBondContact O-ND2 2.87Å
222	E	80.2	Confident	82.1	Confident	142 Å²	142	74.3 Å²	74.3	66%	0.664	39%	0.394	S	S	*	.	H	α-helix	trans	-69.8	-43.8	179.3	-169.6	178	-173.8	0	0	110.5	D220 L224 N225 T226	D220-E222 PolarHBondContact OD1-N 2.83Å; E222-L224 VanDerWaalsContact C-N 3.32Å; E222-L224 PolarHBondContact O-N 2.79Å; E222-N225 PolarHBondContact O-N 2.8Å; E222-T226 WeakPolarHBondContact O-CB 3.37Å; E222-T226 PolarHBondContact O-N 3.16Å; E222-T226 PolarHBondContact O-OG1 3.03Å
223	L	82	Confident	82.3	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.01	41%	0.407	C	S	.	.	H	α-helix	trans	-55.9	-48.6	171.2	178	62.3	0	0	0	111.2	L137 I140 D220 N225 T226 I227 N244 H246	L137-L223 HydrophobicContact CD2-CD1 3.78Å; L137-L223 HydrophobicContact CD2-CD2 4.4Å; I140-L223 HydrophobicContact CD1-CD2 3.9Å; I140-L223 HydrophobicContact CG1-CD2 3.92Å; D220-L223 HydrophobicContact CB-CB 4Å; D220-L223 VanDerWaalsContact CG-CB 3.48Å; D220-L223 PolarHBondContact OD1-N 3.43Å; L223-N225 PolarHBondContact O-N 3.35Å; L223-T226 PolarHBondContact O-N 3.46Å; L223-I227 HydrophobicContact CD1-CD1 3.86Å; L223-I227 HydrophobicContact CD1-CG1 4.25Å; L223-I227 HydrophobicContact CG-CD1 3.8Å; L223-I227 VanDerWaalsContact O-CG1 3.29Å; L223-I227 WeakPolarHBondContact O-CG1 3.42Å; L223-I227 PolarHBondContact O-N 2.88Å; L223-N244 HydrophobicContact CD1-CB 4.49Å; L223-N244 WeakPolarHBondContact CD1-OD1 3.44Å; L223-H246 HydrophobicContact CD1-CB 3.82Å; L223-H246 HydrophobicContact CD2-CB 4.38Å
224	L	82.6	Confident	82.3	Confident	17 Å²	17	74.3 Å²	74.3	9%	0.089	40%	0.398	C	S	.	.	H	α-helix	trans	-65.2	-41.9	-175.8	-137.6	109.6	0	0	0	112.3	I218 D220 T221 E222 I227 K228	I218-L224 HydrophobicContact CB-CD1 3.8Å; I218-L224 HydrophobicContact CD1-CD1 3.88Å; I218-L224 HydrophobicContact CG1-CD1 4.41Å; I218-L224 HydrophobicContact CG2-CD1 3.86Å; D220-L224 PolarHBondContact O-N 3.37Å; T221-L224 PolarHBondContact O-N 3.46Å; E222-L224 VanDerWaalsContact C-N 3.32Å; E222-L224 PolarHBondContact O-N 2.79Å; L224-I227 PolarHBondContact O-N 2.89Å; L224-K228 HydrophobicContact CD2-CD 4.42Å; L224-K228 WeakPolarHBondContact O-CB 3.48Å; L224-K228 WeakPolarHBondContact O-CG 3.42Å; L224-K228 PolarHBondContact O-N 2.93Å
225	N	85.1	Confident	82.3	Confident	101 Å²	101	76 Å²	76	54%	0.54	41%	0.407	S	S	.	.	H	α-helix	trans	-65.8	-39.8	175.5	-72.9	-21.6	0	0	0	111.6	T221 E222 L223 K228 S229	T221-N225 WeakPolarHBondContact O-CB 3.39Å; T221-N225 VanDerWaalsContact O-CG 3.22Å; T221-N225 PolarHBondContact O-N 3.18Å; T221-N225 PolarHBondContact O-ND2 2.87Å; E222-N225 PolarHBondContact O-N 2.8Å; L223-N225 PolarHBondContact O-N 3.35Å; N225-K228 PolarHBondContact O-N 2.74Å; N225-S229 PolarHBondContact O-N 2.97Å; N225-S229 VanDerWaalsContact O-N 3.15Å; N225-S229 PolarHBondContact O-OG 3.06Å
226	T	84	Confident	82.2	Confident	28 Å²	28	75 Å²	75	17%	0.172	40%	0.399	C	S	.	.	H	α-helix	trans	-63.2	-45.2	175.6	-51.9	0	0	0	0	110.9	E222 L223 K228 S229 L230 P243 N244	E222-T226 WeakPolarHBondContact O-CB 3.37Å; E222-T226 PolarHBondContact O-N 3.16Å; E222-T226 PolarHBondContact O-OG1 3.03Å; L223-T226 PolarHBondContact O-N 3.46Å; T226-K228 VanDerWaalsContact C-N 3.33Å; T226-K228 PolarHBondContact O-N 3.34Å; T226-S229 PolarHBondContact O-N 3.4Å; T226-S229 PolarHBondContact O-OG 2.73Å; T226-L230 VanDerWaalsContact O-CG 3.3Å; T226-L230 WeakPolarHBondContact O-CG 3.41Å; T226-L230 PolarHBondContact O-N 2.95Å; T226-P243 HydrophobicContact CG2-CB 4.4Å; T226-N244 HydrophobicContact CG2-CB 3.99Å
227	I	83.7	Confident	82.4	Confident	4 Å²	4	67.5 Å²	67.5	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-62.7	-42.2	178.5	-67	164.5	0	0	0	111	L137 I208 V211 M212 L223 L224 S229 L230	L137-I227 HydrophobicContact CD1-CD1 3.6Å; L137-I227 HydrophobicContact CD1-CG1 4.5Å; L137-I227 HydrophobicContact CD2-CD1 3.93Å; L137-I227 HydrophobicContact CG-CD1 4.42Å; I208-I227 HydrophobicContact CG2-CG2 3.68Å; V211-I227 HydrophobicContact CG1-CD1 4.1Å; M212-I227 HydrophobicContact CG-CG2 4.14Å; M212-I227 HydrophobicContact SD-CG2 3.76Å; L223-I227 HydrophobicContact CD1-CD1 3.86Å; L223-I227 HydrophobicContact CD1-CG1 4.25Å; L223-I227 HydrophobicContact CG-CD1 3.8Å; L223-I227 VanDerWaalsContact O-CG1 3.29Å; L223-I227 WeakPolarHBondContact O-CG1 3.42Å; L223-I227 PolarHBondContact O-N 2.88Å; L224-I227 PolarHBondContact O-N 2.89Å; I227-S229 VanDerWaalsContact C-N 3.27Å; I227-S229 PolarHBondContact O-N 3.33Å; I227-L230 PolarHBondContact O-N 3.02Å
228	K	86.1	Confident	82.7	Confident	125 Å²	125	63.3 Å²	63.3	54%	0.543	34%	0.344	S	S	.	.	H	α-helix	trans	-64.8	-27.2	179.4	-78.2	173.6	179.5	178.8	0	113.9	M212 L224 N225 T226	M212-K228 HydrophobicContact CE-CG 3.76Å; M212-K228 HydrophobicContact SD-CG 4.24Å; L224-K228 HydrophobicContact CD2-CD 4.42Å; L224-K228 WeakPolarHBondContact O-CB 3.48Å; L224-K228 WeakPolarHBondContact O-CG 3.42Å; L224-K228 PolarHBondContact O-N 2.93Å; N225-K228 PolarHBondContact O-N 2.74Å; T226-K228 VanDerWaalsContact C-N 3.33Å; T226-K228 PolarHBondContact O-N 3.34Å
229	S	88.4	Confident	82.9	Confident	96 Å²	96	65.5 Å²	65.5	67%	0.671	36%	0.355	S	S	*	.	H	α-helix	trans	-88.7	-12.2	-179	67.4	0	0	0	0	113.9	N225 T226 I227	N225-S229 PolarHBondContact O-N 2.97Å; N225-S229 VanDerWaalsContact O-N 3.15Å; N225-S229 PolarHBondContact O-OG 3.06Å; T226-S229 PolarHBondContact O-N 3.4Å; T226-S229 PolarHBondContact O-OG 2.73Å; I227-S229 VanDerWaalsContact C-N 3.27Å; I227-S229 PolarHBondContact O-N 3.33Å
230	L	85.1	Confident	83	Confident	35 Å²	35	62.9 Å²	62.9	18%	0.183	34%	0.341	C	S	.	.	S	Bend	trans	-77	136.1	-178.8	-72.3	168.4	0	0	0	112.1	I132 T226 I227 L232 P243 L247	I132-L230 HydrophobicContact CD1-CD2 3.97Å; I132-L230 HydrophobicContact CG2-CB 4.14Å; I132-L230 HydrophobicContact CG2-CD1 4.06Å; T226-L230 VanDerWaalsContact O-CG 3.3Å; T226-L230 WeakPolarHBondContact O-CG 3.41Å; T226-L230 PolarHBondContact O-N 2.95Å; I227-L230 PolarHBondContact O-N 3.02Å; L230-L232 PolarHBondContact O-N 3.23Å; L230-L232 VanDerWaalsContact O-N 3.13Å; L230-P243 HydrophobicContact CD1-CB 4.41Å; L230-P243 HydrophobicContact CD1-CG 4.5Å; L230-P243 HydrophobicContact CD2-CB 3.93Å; L230-P243 HydrophobicContact CD2-CG 3.88Å; L230-L247 HydrophobicContact CD1-CD1 3.75Å
231	D	88.3	Confident	83	Confident	93 Å²	93	65.7 Å²	65.7	50%	0.497	36%	0.363	S	S	.	.			trans	-71	104.6	163.9	178.6	1.2	0	0	0	109.5	S233 Y234	D231-S233 PolarHBondContact O-N 3.31Å; D231-S233 WeakPolarHBondContact OD1-CB 3.44Å; D231-S233 PolarHBondContact OD1-N 3.41Å; D231-S233 PolarHBondContact OD1-OG 3.48Å; D231-S233 PolarHBondContact OD2-OG 3.11Å; D231-Y234 WeakPolarHBondContact O-CB 3.27Å; D231-Y234 PolarHBondContact O-N 3.46Å
232	L	86	Confident	83.3	Confident	71 Å²	71	62.8 Å²	62.8	37%	0.372	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.4	-177.8	-58.1	-177.5	0	0	0	113.2	I132 G133 I208 L230	I132-L232 HydrophobicContact CG2-CD2 4.1Å; G133-L232 PolarHBondContact N-O 3.24Å; I208-L232 HydrophobicContact CD1-CD2 4.43Å; I208-L232 HydrophobicContact CG2-CD2 4.18Å; L230-L232 PolarHBondContact O-N 3.23Å; L230-L232 VanDerWaalsContact O-N 3.13Å
233	S	86.2	Confident	83.4	Confident	87 Å²	87	59 Å²	59	61%	0.608	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-17.8	178.8	74.3	0	0	0	0	113.3	D231	D231-S233 PolarHBondContact O-N 3.31Å; D231-S233 WeakPolarHBondContact OD1-CB 3.44Å; D231-S233 PolarHBondContact OD1-N 3.41Å; D231-S233 PolarHBondContact OD1-OG 3.48Å; D231-S233 PolarHBondContact OD2-OG 3.11Å
234	Y	87.1	Confident	83.5	Confident	125 Å²	125	59.4 Å²	59.4	49%	0.49	33%	0.333	S	S	.	.			trans	-66.7	139.3	-178.3	-178.6	-120.4	0	0	0	111.9	P131 I132 D231 P236	P131-Y234 CarbonylContact C-O 3.54Å; P131-Y234 VanDerWaalsContact CA-O 3.3Å; P131-Y234 WeakPolarHBondContact CA-O 3.46Å; I132-Y234 HydrophobicContact CD1-CD1 4.27Å; I132-Y234 PolarHBondContact N-O 3.39Å; D231-Y234 WeakPolarHBondContact O-CB 3.27Å; D231-Y234 PolarHBondContact O-N 3.46Å; Y234-P236 HydrophobicContact CD1-CB 4.3Å; Y234-P236 HydrophobicContact CD1-CG 3.79Å; Y234-P236 HydrophobicContact CE1-CB 3.92Å; Y234-P236 HydrophobicContact CE1-CG 3.94Å; Y234-P236 WeakPolarHBondContact O-CD 3.43Å
235	I	82.5	Confident	83.4	Confident	78 Å²	78	63.6 Å²	63.6	40%	0.4	36%	0.361	S	S	.	.			trans	-104.6	102.2	173.2	-58.8	173.8	0	0	0	108.1	L129 P131	L129-I235 HydrophobicContact CB-CG2 4.45Å; P131-I235 HydrophobicContact CB-CG1 4.23Å; P131-I235 HydrophobicContact CG-CD1 4.26Å; P131-I235 HydrophobicContact CG-CG1 3.81Å
236	P	79.5	Confident	83.4	Confident	13 Å²	13	61.4 Å²	61.4	8%	0.084	35%	0.348	C	S	.	.			trans	-74.9	146	-177.6	-17	33.9	0	0	0	111.2	L129 I132 W135 Y234	L129-P236 VanDerWaalsContact CD1-O 3.24Å; L129-P236 WeakPolarHBondContact CD1-O 3.37Å; I132-P236 HydrophobicContact CD1-CG 3.56Å; I132-P236 HydrophobicContact CG1-CG 3.36Å; W135-P236 HydrophobicContact CH2-CB 3.95Å; W135-P236 HydrophobicContact CH2-CG 3.59Å; W135-P236 HydrophobicContact CZ2-CB 4.01Å; W135-P236 HydrophobicContact CZ2-CG 3.48Å; W135-P236 VanDerWaalsContact CZ2-CG 3.48Å; Y234-P236 HydrophobicContact CD1-CB 4.3Å; Y234-P236 HydrophobicContact CD1-CG 3.79Å; Y234-P236 HydrophobicContact CE1-CB 3.92Å; Y234-P236 HydrophobicContact CE1-CG 3.94Å; Y234-P236 WeakPolarHBondContact O-CD 3.43Å
237	S	84.6	Confident	83.6	Confident	22 Å²	22	60.1 Å²	60.1	15%	0.154	34%	0.34	C	S	.	.			trans	-65.2	140	168.6	-179.9	0	0	0	0	111	K82 L239 C240	K82-S237 WeakPolarHBondContact O-CB 3.31Å; K82-S237 PolarHBondContact O-OG 2.85Å; S237-L239 PolarHBondContact O-N 3.31Å; S237-L239 VanDerWaalsContact O-N 3.12Å; S237-L239 WeakPolarHBondContact OG-CB 3.46Å; S237-L239 WeakPolarHBondContact OG-CG 3.47Å; S237-L239 PolarHBondContact OG-N 2.93Å; S237-C240 PolarHBondContact O-N 3.36Å; S237-C240 VanDerWaalsContact O-N 3.09Å
238	A	81.8	Confident	83.8	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.008	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-18.5	170.6	0	0	0	0	0	113.5	G83 I86 N102 Y104 L129 C240	G83-A238 VanDerWaalsContact O-CB 3.26Å; G83-A238 WeakPolarHBondContact O-CB 3.34Å; G83-A238 PolarHBondContact O-N 3.21Å; I86-A238 HydrophobicContact CD1-CB 3.37Å; I86-A238 HydrophobicContact CG1-CB 3.65Å; N102-A238 PolarHBondContact ND2-O 2.97Å; Y104-A238 HydrophobicContact CD2-CB 4.26Å; Y104-A238 HydrophobicContact CE2-CB 4.47Å; L129-A238 HydrophobicContact CD1-CB 3.8Å; A238-C240 VanDerWaalsContact C-N 3.34Å
239	L	78.1	Confident	84.1	Confident	63 Å²	63	55.3 Å²	55.3	33%	0.33	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-19.7	178.8	-58.5	171.5	0	0	0	112.7	K81 Y104 S237	K81-L239 WeakPolarHBondContact O-CD1 3.18Å; Y104-L239 HydrophobicContact CD1-CD2 3.61Å; Y104-L239 HydrophobicContact CD2-CD2 3.67Å; Y104-L239 HydrophobicContact CE1-CD2 3.53Å; Y104-L239 HydrophobicContact CE2-CD2 3.6Å; Y104-L239 HydrophobicContact CG-CD2 3.68Å; S237-L239 PolarHBondContact O-N 3.31Å; S237-L239 VanDerWaalsContact O-N 3.12Å; S237-L239 WeakPolarHBondContact OG-CB 3.46Å; S237-L239 WeakPolarHBondContact OG-CG 3.47Å; S237-L239 PolarHBondContact OG-N 2.93Å
240	C	78.7	Confident	84.3	Confident	61 Å²	61	50.9 Å²	50.9	41%	0.412	29%	0.29	S	S	.	.	S	Bend	trans	-88	141.8	-177.9	-63.6	0	0	0	0	110.9	S237 A238 R249	S237-C240 PolarHBondContact O-N 3.36Å; S237-C240 VanDerWaalsContact O-N 3.09Å; A238-C240 VanDerWaalsContact C-N 3.34Å; C240-R249 PolarHBondContact O-NH2 3.13Å
241	P	76.5	Confident	84.7	Confident	115 Å²	115	49.2 Å²	49.2	75%	0.747	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-61.7	159	173.8	26.1	-32.8	0	0	0	111.8
242	L	82.9	Confident	85	Confident	39 Å²	39	45.5 Å²	45.5	20%	0.204	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-67.5	138.1	176.1	-74.7	165.8	0	0	0	110.4	K107 W135 N244 L247 R249	K107-L242 HydrophobicContact CG-CD1 4.29Å; W135-L242 HydrophobicContact CE3-CD2 4.38Å; W135-L242 HydrophobicContact CH2-CD2 4.32Å; W135-L242 HydrophobicContact CZ3-CD2 3.7Å; L242-N244 PolarHBondContact O-N 2.9Å; L242-L247 WeakPolarHBondContact CD1-O 3.38Å; L242-L247 HydrophobicContact CD2-CB 4.35Å; L242-R249 HydrophobicContact CD2-CG 3.77Å
243	P	82.6	Confident	85.3	Confident	63 Å²	63	42.2 Å²	42.2	41%	0.409	24%	0.244	S	C	.	.	S	Bend	trans	-63.3	-30.4	175.2	-19.3	30	0	0	0	113.2	T226 L230 L247	T226-P243 HydrophobicContact CG2-CB 4.4Å; L230-P243 HydrophobicContact CD1-CB 4.41Å; L230-P243 HydrophobicContact CD1-CG 4.5Å; L230-P243 HydrophobicContact CD2-CB 3.93Å; L230-P243 HydrophobicContact CD2-CG 3.88Å; P243-L247 HydrophobicContact CB-CD1 4.37Å; P243-L247 HydrophobicContact CG-CD1 4.41Å
244	N	84.5	Confident	85.6	Confident	10 Å²	10	42.5 Å²	42.5	5%	0.053	23%	0.232	C	C	.	.	S	Bend	trans	-145	141.4	177.5	-172.1	-71.3	0	0	0	109.4	L223 T226 L242 H246 L247	L223-N244 HydrophobicContact CD1-CB 4.49Å; L223-N244 WeakPolarHBondContact CD1-OD1 3.44Å; T226-N244 HydrophobicContact CG2-CB 3.99Å; L242-N244 PolarHBondContact O-N 2.9Å; N244-H246 VanDerWaalsContact C-N 3.25Å; N244-H246 PolarHBondContact O-N 3Å; N244-H246 WeakPolarHBondContact OD1-CB 3.48Å; N244-H246 PolarHBondContact OD1-CD2 2.94Å; N244-H246 PolarHBondContact OD1-N 3.43Å; N244-L247 HydrophobicContact CB-CD1 3.99Å; N244-L247 HydrophobicContact CB-CG 4.47Å; N244-L247 WeakPolarHBondContact O-CB 3.49Å; N244-L247 PolarHBondContact O-N 3.29Å
245	P	80.9	Confident	85.7	Confident	105 Å²	105	40.8 Å²	40.8	68%	0.682	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.2	-179.4	23.6	-34.4	0	0	0	115	L247	P245-L247 VanDerWaalsContact C-N 3.34Å
246	H	83.5	Confident	86	Confident	56 Å²	56	39.5 Å²	39.5	26%	0.259	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-19.7	177.5	-70.6	-79.5	0	0	0	113.4	L137 T138 D220 L223 N244	L137-H246 WeakPolarHBondContact CA-O 3.18Å; L137-H246 HydrophobicContact CD2-CB 4.12Å; T138-H246 PolarHBondContact N-O 2.88Å; T138-H246 PolarHBondContact O-ND1 3.37Å; T138-H246 PolarHBondContact OG1-O 2.99Å; D220-H246 IonicContact OD2-NE2 3.89Å; L223-H246 HydrophobicContact CD1-CB 3.82Å; L223-H246 HydrophobicContact CD2-CB 4.38Å; N244-H246 VanDerWaalsContact C-N 3.25Å; N244-H246 PolarHBondContact O-N 3Å; N244-H246 WeakPolarHBondContact OD1-CB 3.48Å; N244-H246 PolarHBondContact OD1-CD2 2.94Å; N244-H246 PolarHBondContact OD1-N 3.43Å
247	L	87.9	Confident	86.2	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	135.6	177.7	-81.8	159.8	0	0	0	110.9	W135 L137 I208 L230 L242 P243 N244 P245	W135-L247 HydrophobicContact CB-CD2 4.27Å; W135-L247 HydrophobicContact CE3-CB 4.3Å; W135-L247 HydrophobicContact CE3-CD2 4.24Å; L137-L247 HydrophobicContact CD2-CD2 4.08Å; L137-L247 HydrophobicContact CD2-CG 4.11Å; L137-L247 HydrophobicContact CG-CD2 4.24Å; I208-L247 HydrophobicContact CD1-CD2 4.05Å; I208-L247 HydrophobicContact CG1-CD2 4.46Å; L230-L247 HydrophobicContact CD1-CD1 3.75Å; L242-L247 WeakPolarHBondContact CD1-O 3.38Å; L242-L247 HydrophobicContact CD2-CB 4.35Å; P243-L247 HydrophobicContact CB-CD1 4.37Å; P243-L247 HydrophobicContact CG-CD1 4.41Å; N244-L247 HydrophobicContact CB-CD1 3.99Å; N244-L247 HydrophobicContact CB-CG 4.47Å; N244-L247 WeakPolarHBondContact O-CB 3.49Å; N244-L247 PolarHBondContact O-N 3.29Å; P245-L247 VanDerWaalsContact C-N 3.34Å
248	V	89.2	Confident	86.1	Confident	26 Å²	26	43.6 Å²	43.6	16%	0.158	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.5	174.8	-179.4	0	0	0	0	108	H110 W135 K136 T138 T250	H110-V248 HydrophobicContact CB-CG1 4.03Å; W135-V248 WeakPolarHBondContact CB-O 3.49Å; K136-V248 HydrophobicContact CB-CB 4.46Å; K136-V248 PolarHBondContact N-O 3.18Å; K136-V248 PolarHBondContact O-N 3.1Å; T138-V248 HydrophobicContact CG2-CG2 3.51Å; V248-T250 PolarHBondContact O-N 3.17Å; V248-T250 PolarHBondContact O-OG1 3.26Å
249	R	91.9	Very high	86.3	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.008	26%	0.256	C	S	.	.			trans	-54.2	142.1	175.5	-56.4	-165.6	-174.5	79.5	-3.6	109.5	D105 I109 H110 L129 W135 C240 L242	D105-R249 IonicContact OD1-NH1 2.73Å; D105-R249 IonicContact OD2-CZ 2.8Å; D105-R249 VanDerWaalsContact OD2-CZ 3.26Å; D105-R249 IonicContact OD2-NH1 3.29Å; D105-R249 PolarHBondContact OD2-NH1 2.69Å; D105-R249 IonicContact OD2-NH2 3.41Å; D105-R249 PolarHBondContact OD2-NH2 3.08Å; I109-R249 CarbonylContact C-O 3.5Å; I109-R249 WeakPolarHBondContact CA-O 3.33Å; I109-R249 HydrophobicContact CB-CB 4.43Å; I109-R249 HydrophobicContact CG1-CB 4.08Å; I109-R249 HydrophobicContact CG2-CB 4.14Å; H110-R249 PolarHBondContact N-O 2.75Å; L129-R249 HydrophobicContact CD2-CB 4.01Å; W135-R249 HydrophobicContact CD2-CB 4.39Å; W135-R249 HydrophobicContact CD2-CG 4.38Å; W135-R249 HydrophobicContact CE3-CG 4.3Å; W135-R249 HydrophobicContact CH2-CG 3.64Å; W135-R249 HydrophobicContact CZ2-CB 4.15Å; W135-R249 HydrophobicContact CZ2-CG 3.7Å; W135-R249 HydrophobicContact CZ3-CG 3.96Å; C240-R249 PolarHBondContact O-NH2 3.13Å; L242-R249 HydrophobicContact CD2-CG 3.77Å
250	T	93	Very high	86.6	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.7	175.2	-48.1	0	0	0	0	109	H110 L130 K134 W135 K136 V248	H110-T250 HydrophobicContact CB-CG2 4.47Å; H110-T250 CarbonylContact O-C 3.57Å; H110-T250 VanDerWaalsContact O-CA 3.29Å; H110-T250 WeakPolarHBondContact O-CA 3.27Å; H110-T250 WeakPolarHBondContact O-CG2 3.47Å; L130-T250 WeakPolarHBondContact CB-O 3.24Å; L130-T250 HydrophobicContact CD1-CG2 4.14Å; L130-T250 PolarHBondContact N-O 3.08Å; K134-T250 PolarHBondContact O-OG1 3.45Å; W135-T250 WeakPolarHBondContact CA-OG1 3.36Å; K136-T250 PolarHBondContact N-OG1 3.2Å; V248-T250 PolarHBondContact O-N 3.17Å; V248-T250 PolarHBondContact O-OG1 3.26Å
251	G	93.3	Very high	86.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	170.7	-176.6	0	0	0	0	0	113	H110 I111 E128	H110-G251 PolarHBondContact O-N 3.44Å; I111-G251 WeakPolarHBondContact CD1-O 2.98Å; E128-G251 CarbonylContact O-C 3.55Å; E128-G251 WeakPolarHBondContact O-CA 3.39Å
252	V	94.4	Very high	87.1	Confident	14 Å²	14	38.9 Å²	38.9	9%	0.085	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.6	174.2	62.9	0	0	0	0	110.4	N115 V127 E128 L130 R254	N115-V252 HydrophobicContact CB-CB 4.16Å; N115-V252 HydrophobicContact CB-CG2 3.91Å; V127-V252 WeakPolarHBondContact CA-O 3.49Å; E128-V252 HydrophobicContact CB-CG1 4.06Å; E128-V252 PolarHBondContact N-O 2.96Å; E128-V252 PolarHBondContact O-N 3.24Å; L130-V252 HydrophobicContact CD2-CB 4.37Å; L130-V252 HydrophobicContact CD2-CG1 4.04Å; V252-R254 PolarHBondContact O-N 3.03Å
253	V	93.2	Very high	87.2	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	115.8	173.7	175.8	0	0	0	0	108.4	I111 N115 C116 N117 A119 V125 V127	I111-V253 HydrophobicContact CG2-CG2 4.19Å; N115-V253 WeakPolarHBondContact O-CB 3.36Å; N115-V253 PolarHBondContact O-N 2.91Å; C116-V253 WeakPolarHBondContact O-CB 3.23Å; N117-V253 HydrophobicContact CB-CB 4.23Å; N117-V253 HydrophobicContact CB-CG1 4.32Å; N117-V253 WeakPolarHBondContact CB-O 3.38Å; A119-V253 HydrophobicContact CB-CG1 4.11Å; A119-V253 HydrophobicContact CB-CG2 4.48Å; V125-V253 HydrophobicContact CB-CG1 3.92Å; V125-V253 HydrophobicContact CB-CG2 4.19Å; V125-V253 HydrophobicContact CG1-CG1 3.8Å; V125-V253 HydrophobicContact CG1-CG2 4.25Å; V125-V253 HydrophobicContact CG2-CG2 4.27Å; V127-V253 HydrophobicContact CG2-CG2 4.29Å
254	R	91.9	Very high	87.5	Confident	94 Å²	94	36.9 Å²	36.9	36%	0.355	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-35.1	175.9	-67.9	-55.3	-169.3	178.9	1.5	112.5	F71 L126 E128 V252	F71-R254 HydrophobicContact CD2-CG 4.22Å; F71-R254 HydrophobicContact CG-CG 4.36Å; L126-R254 PolarHBondContact O-N 3.22Å; E128-R254 HydrophobicContact CB-CG 3.85Å; E128-R254 IonicContact OE2-CZ 3.83Å; E128-R254 IonicContact OE2-NE 3.2Å; E128-R254 PolarHBondContact OE2-NE 3.13Å; E128-R254 IonicContact OE2-NH2 2.67Å; E128-R254 PolarHBondContact OE2-NH2 2.84Å; V252-R254 PolarHBondContact O-N 3.03Å
255	K	89.8	Confident	87.8	Confident	89 Å²	89	38.8 Å²	38.8	39%	0.387	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	139.4	-175.9	-169.2	170.8	-176.4	174.1	0	111	V125 L126 L257	V125-K255 CarbonylContact C-O 3.56Å; V125-K255 WeakPolarHBondContact CA-O 3.19Å; L126-K255 HydrophobicContact CB-CB 4.08Å; L126-K255 PolarHBondContact N-O 3.27Å; K255-L257 HydrophobicContact CD-CD2 4.18Å; K255-L257 HydrophobicContact CG-CD2 4.33Å
256	I	88.2	Confident	88.2	Confident	51 Å²	51	34 Å²	34	26%	0.262	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	117.8	165.9	-53.4	169.2	0	0	0	107	A119 D123 V125 L259	A119-I256 HydrophobicContact CB-CD1 3.91Å; A119-I256 HydrophobicContact CB-CG1 3.82Å; D123-I256 HydrophobicContact CB-CG2 4.13Å; V125-I256 HydrophobicContact CG1-CG1 4.36Å; I256-L259 HydrophobicContact CD1-CD2 4.18Å; I256-L259 HydrophobicContact CG2-CD2 3.79Å; I256-L259 HydrophobicContact CG2-CG 4.09Å
257	L	83.7	Confident	88.6	Confident	67 Å²	67	31.9 Å²	31.9	35%	0.351	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-39.3	-179.6	-62.1	175.1	0	0	0	111.6	Q87 I124 L126 K255	Q87-L257 HydrophobicContact CB-CD1 4.31Å; Q87-L257 HydrophobicContact CG-CD1 3.69Å; I124-L257 HydrophobicContact CG2-CB 4.27Å; I124-L257 HydrophobicContact CG2-CD1 4.37Å; I124-L257 PolarHBondContact O-N 3.04Å; L126-L257 HydrophobicContact CB-CD1 4.41Å; L126-L257 HydrophobicContact CB-CG 4.4Å; L126-L257 HydrophobicContact CD1-CD1 3.99Å; K255-L257 HydrophobicContact CD-CD2 4.18Å; K255-L257 HydrophobicContact CG-CD2 4.33Å
258	K	82.6	Confident	88.7	Confident	53 Å²	53	31.8 Å²	31.8	23%	0.23	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	124.9	176.9	-172.1	177.5	-176.9	178.7	0	109.4	I124 D456 W875	I124-K258 HydrophobicContact CB-CB 4.01Å; I124-K258 HydrophobicContact CG1-CB 4.07Å; I124-K258 PolarHBondContact N-O 2.76Å; I124-K258 PolarHBondContact O-N 2.62Å; K258-D456 IonicContact NZ-OD1 2.67Å; K258-D456 PolarHBondContact NZ-OD1 3.33Å; K258-W875 HydrophobicContact CD-CH2 4.06Å; K258-W875 HydrophobicContact CD-CZ3 4.2Å
259	L	86.3	Confident	88.8	Confident	78 Å²	78	32 Å²	32	41%	0.408	16%	0.158	S	C	.	.			trans	-77.1	138.2	172.8	-67.8	160	0	0	0	109.3	I256 P261 Q264	I256-L259 HydrophobicContact CD1-CD2 4.18Å; I256-L259 HydrophobicContact CG2-CD2 3.79Å; I256-L259 HydrophobicContact CG2-CG 4.09Å; L259-P261 WeakPolarHBondContact O-CD 3.29Å; L259-Q264 HydrophobicContact CB-CG 4.04Å
260	N	84.3	Confident	88.8	Confident	10 Å²	10	32 Å²	32	5%	0.053	16%	0.157	C	C	.	.			trans	-67.7	125.4	170.1	-178.8	3.6	0	0	0	109.1	E122 D123 A262 N263 Q264	E122-N260 HydrophobicContact CB-CB 4.49Å; E122-N260 PolarHBondContact OE2-ND2 2.89Å; E122-N260 VanDerWaalsContact OE2-ND2 3.16Å; D123-N260 WeakPolarHBondContact OD1-CB 3.43Å; D123-N260 PolarHBondContact OD1-N 3.01Å; N260-A262 PolarHBondContact O-N 2.63Å; N260-A262 PolarHBondContact OD1-N 2.85Å; N260-N263 HydrophobicContact CB-CB 4.3Å; N260-N263 WeakPolarHBondContact CB-ND2 3.46Å; N260-N263 WeakPolarHBondContact O-CB 2.77Å; N260-N263 PolarHBondContact O-N 3.44Å; N260-Q264 PolarHBondContact O-N 2.83Å
261	P	82.4	Confident	88.7	Confident	49 Å²	49	32.1 Å²	32.1	32%	0.318	16%	0.159	S	C	.	.	H	α-helix	trans	-53.6	-36.9	178.2	-28.2	35.5	0	0	0	113.7	L259 N263 Q264 K265	L259-P261 WeakPolarHBondContact O-CD 3.29Å; P261-N263 PolarHBondContact O-N 3.36Å; P261-Q264 PolarHBondContact O-N 2.88Å; P261-K265 PolarHBondContact O-N 2.85Å
262	A	83.4	Confident	88.5	Confident	4 Å²	4	33.5 Å²	33.5	3%	0.033	17%	0.165	C	C	.	.	H	α-helix	trans	-62.8	-25.8	177.1	0	0	0	0	0	113	N260 Q264 H301	N260-A262 PolarHBondContact O-N 2.63Å; N260-A262 PolarHBondContact OD1-N 2.85Å; A262-Q264 VanDerWaalsContact C-N 3.35Å; A262-H301 PolarHBondContact O-CE1 2.96Å
263	N	85	Confident	88	Confident	10 Å²	10	38.6 Å²	38.6	5%	0.053	18%	0.184	C	C	.	.	H	α-helix	trans	-83.5	-13.9	177	-68.7	-23.4	0	0	0	112.8	R120 N121 D123 N260 P261	R120-N263 HydrophobicContact CB-CB 4.42Å; R120-N263 VanDerWaalsContact CB-ND2 3.3Å; R120-N263 WeakPolarHBondContact CB-ND2 3.06Å; R120-N263 PolarHBondContact NH1-O 3.03Å; N121-N263 PolarHBondContact O-ND2 3.09Å; D123-N263 PolarHBondContact OD1-ND2 3.3Å; D123-N263 VanDerWaalsContact OD1-ND2 3.09Å; N260-N263 HydrophobicContact CB-CB 4.3Å; N260-N263 WeakPolarHBondContact CB-ND2 3.46Å; N260-N263 WeakPolarHBondContact O-CB 2.77Å; N260-N263 PolarHBondContact O-N 3.44Å; P261-N263 PolarHBondContact O-N 3.36Å
264	Q	88.2	Confident	86.9	Confident	50 Å²	50	42.4 Å²	42.4	23%	0.234	21%	0.209	C	C	.	.	H	α-helix	trans	-94.1	-33.9	-176	-65.8	-59.1	-65.8	0	0	112.7	L259 N260 P261 A262 R330 I331	L259-Q264 HydrophobicContact CB-CG 4.04Å; N260-Q264 PolarHBondContact O-N 2.83Å; P261-Q264 PolarHBondContact O-N 2.88Å; A262-Q264 VanDerWaalsContact C-N 3.35Å; Q264-R330 CarbonylContact O-C 3.58Å; Q264-R330 VanDerWaalsContact O-CA 3.29Å; Q264-R330 WeakPolarHBondContact O-CA 3.23Å; Q264-I331 PolarHBondContact O-N 3.47Å
265	K	90.6	Very high	85.5	Confident	51 Å²	51	41.2 Å²	41.2	22%	0.222	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	120.6	-177.3	-170	175.7	171.4	164.6	0	110	P261 V328 C329 E346 L364	P261-K265 PolarHBondContact O-N 2.85Å; K265-V328 HydrophobicContact CD-CG1 3.92Å; K265-V328 HydrophobicContact CG-CG1 3.39Å; K265-C329 VanDerWaalsContact CA-O 3.31Å; K265-C329 WeakPolarHBondContact CA-O 3.33Å; K265-E346 WeakPolarHBondContact CD-OE2 3.39Å; K265-E346 WeakPolarHBondContact CE-OE2 3.32Å; K265-E346 IonicContact NZ-OE2 2.99Å; K265-E346 PolarHBondContact NZ-OE2 2.67Å; K265-L364 HydrophobicContact CB-CD2 4.12Å; K265-L364 HydrophobicContact CD-CD2 3.68Å; K265-L364 HydrophobicContact CG-CD2 3.68Å
266	F	90.4	Very high	83.7	Confident	5 Å²	5	43.5 Å²	43.5	2%	0.022	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	166.4	-177	51.8	-93.5	0	0	0	112.2	L294 P296 H301 V304 C329 I331	F266-L294 HydrophobicContact CD2-CD2 4.07Å; F266-L294 HydrophobicContact CE2-CD2 3.61Å; F266-P296 HydrophobicContact CD2-CB 4.16Å; F266-P296 HydrophobicContact CE2-CB 4.01Å; F266-H301 HydrophobicContact CD1-CB 4.27Å; F266-H301 AromaticContact CD1-CG 3.82Å; F266-H301 AromaticContact CD1-ND1 3.8Å; F266-H301 HydrophobicContact CD2-CB 3.83Å; F266-H301 AromaticContact CD2-CD2 3.89Å; F266-H301 AromaticContact CD2-CG 3.86Å; F266-H301 HydrophobicContact CE1-CB 4.19Å; F266-H301 HydrophobicContact CE2-CB 3.73Å; F266-H301 HydrophobicContact CG-CB 4.1Å; F266-H301 AromaticContact CG-CD2 3.6Å; F266-H301 AromaticContact CG-CG 3.64Å; F266-H301 AromaticContact CG-NE2 4Å; F266-H301 HydrophobicContact CZ-CB 3.91Å; F266-V304 HydrophobicContact CE2-CG2 3.93Å; F266-V304 HydrophobicContact CZ-CG2 3.51Å; F266-C329 PolarHBondContact N-O 2.76Å; F266-C329 VanDerWaalsContact N-O 3.1Å; F266-C329 PolarHBondContact O-N 3.11Å; F266-I331 HydrophobicContact CE1-CD1 3.7Å; F266-I331 HydrophobicContact CE1-CG1 4.01Å; F266-I331 HydrophobicContact CZ-CD1 4.03Å; F266-I331 HydrophobicContact CZ-CG1 4.28Å
267	L	90.2	Very high	81.6	Confident	10 Å²	10	48.7 Å²	48.7	5%	0.052	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	147.6	-179.4	-83.6	146.3	0	0	0	112.5	S297 Y327 V328 F349 N361 L364	L267-S297 PolarHBondContact O-N 2.87Å; L267-S297 PolarHBondContact O-OG 2.85Å; L267-Y327 WeakPolarHBondContact CA-O 3.29Å; L267-V328 HydrophobicContact CD2-CG2 3.94Å; L267-V328 HydrophobicContact CG-CG2 4.14Å; L267-F349 HydrophobicContact CD1-CD1 4.1Å; L267-F349 HydrophobicContact CD1-CE1 3.85Å; L267-F349 HydrophobicContact CD1-CZ 4.41Å; L267-F349 HydrophobicContact CD2-CB 3.94Å; L267-F349 HydrophobicContact CD2-CD1 3.73Å; L267-F349 HydrophobicContact CD2-CD2 4.31Å; L267-F349 HydrophobicContact CD2-CE1 4.2Å; L267-F349 HydrophobicContact CD2-CG 3.76Å; L267-N361 HydrophobicContact CD1-CB 3.62Å; L267-N361 WeakPolarHBondContact CD1-OD1 3.41Å; L267-L364 HydrophobicContact CD1-CD1 4.24Å; L267-L364 HydrophobicContact CG-CD1 4.49Å
268	G	90.3	Very high	79.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	176.6	172.8	0	0	0	0	0	112.1	L295 Y327	G268-L295 CarbonylContact C-O 3.49Å; G268-L295 WeakPolarHBondContact CA-O 3.26Å; G268-Y327 PolarHBondContact N-O 2.96Å; G268-Y327 PolarHBondContact O-N 3.07Å
269	C	91.4	Very high	77.3	Confident	31 Å²	31	59.4 Å²	59.4	21%	0.209	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	162.2	171.7	60.4	0	0	0	0	110.7	L294 L295 S325	C269-L294 CarbonylContact O-C 3.27Å; C269-L294 WeakPolarHBondContact O-CA 3.13Å; C269-L295 PolarHBondContact N-O 3.24Å; C269-L295 PolarHBondContact O-N 3.48Å; C269-S325 WeakPolarHBondContact CB-O 3.32Å
270	L	92.2	Very high	75	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.8	-178.1	-61.3	175.4	0	0	0	110.6	F272 L294 I306 V311 A315 G322 L323 Y327 I345	L270-F272 HydrophobicContact CB-CE2 4.12Å; L270-F272 HydrophobicContact CB-CZ 4.44Å; L270-L294 HydrophobicContact CD2-CB 4.38Å; L270-L294 HydrophobicContact CD2-CD1 4.02Å; L270-I306 HydrophobicContact CD2-CG1 4.16Å; L270-V311 HydrophobicContact CD1-CG1 4.08Å; L270-A315 HydrophobicContact CD1-CB 4.4Å; L270-G322 PolarHBondContact N-O 2.85Å; L270-G322 CarbonylContact O-C 3.55Å; L270-L323 WeakPolarHBondContact O-CD2 3.27Å; L270-L323 PolarHBondContact O-N 2.83Å; L270-Y327 HydrophobicContact CB-CD2 4.46Å; L270-Y327 HydrophobicContact CB-CE2 4.33Å; L270-Y327 HydrophobicContact CD1-CD1 4.27Å; L270-Y327 HydrophobicContact CD1-CD2 3.83Å; L270-Y327 HydrophobicContact CD1-CE1 4.22Å; L270-Y327 HydrophobicContact CD1-CE2 3.72Å; L270-Y327 HydrophobicContact CD1-CG 4.08Å; L270-Y327 HydrophobicContact CD2-CD2 4.48Å; L270-Y327 HydrophobicContact CG-CD2 3.56Å; L270-Y327 HydrophobicContact CG-CE2 3.74Å; L270-Y327 HydrophobicContact CG-CG 4.07Å; L270-I345 HydrophobicContact CD2-CD1 3.8Å; L270-I345 HydrophobicContact CD2-CG1 4.2Å
271	A	91.5	Very high	72.7	Confident	6 Å²	6	66 Å²	66	5%	0.05	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.9	171.1	0	0	0	0	0	110.1	Y273 V293 L295 L323	A271-Y273 HydrophobicContact CB-CE2 3.62Å; A271-V293 PolarHBondContact N-O 3.4Å; A271-V293 PolarHBondContact O-N 3.01Å; A271-L295 HydrophobicContact CB-CD1 3.83Å; A271-L295 HydrophobicContact CB-CD2 4.2Å; A271-L295 HydrophobicContact CB-CG 3.83Å; A271-L323 HydrophobicContact CB-CD2 4.15Å
272	F	89.3	Confident	70.4	Confident	29 Å²	29	73.6 Å²	73.6	13%	0.127	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.3	-178.1	-63.9	-91.7	0	0	0	109.7	L270 F290 C292 V311 A315 L316 H319	L270-F272 HydrophobicContact CB-CE2 4.12Å; L270-F272 HydrophobicContact CB-CZ 4.44Å; F272-F290 HydrophobicContact CD1-CB 4.49Å; F272-C292 HydrophobicContact CD1-CB 4.18Å; F272-C292 HydrophobicContact CE1-CB 4.05Å; F272-V311 HydrophobicContact CE1-CG1 4.01Å; F272-V311 HydrophobicContact CZ-CG1 3.78Å; F272-A315 HydrophobicContact CE2-CB 4.44Å; F272-A315 HydrophobicContact CZ-CB 4.2Å; F272-A315 WeakPolarHBondContact CZ-O 3.31Å; F272-L316 HydrophobicContact CE1-CD2 3.98Å; F272-H319 HydrophobicContact CB-CB 4.23Å; F272-H319 AromaticContact CD1-CD2 3.75Å; F272-H319 AromaticContact CD1-NE2 3.82Å; F272-H319 HydrophobicContact CD2-CB 3.59Å; F272-H319 AromaticContact CD2-CD2 3.65Å; F272-H319 AromaticContact CD2-CG 3.65Å; F272-H319 HydrophobicContact CE2-CB 4.22Å; F272-H319 AromaticContact CE2-CD2 3.97Å; F272-H319 HydrophobicContact CG-CB 4.08Å; F272-H319 AromaticContact CG-CD2 3.53Å; F272-H319 AromaticContact CG-CG 3.65Å; F272-H319 AromaticContact CG-NE2 3.9Å
273	Y	82.5	Confident	67.9	Low	121 Å²	121	79.2 Å²	79.2	48%	0.475	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	136.9	179.9	-59.3	-87.2	0	0	0	110.3	A271 N275 F290 S291 V293	A271-Y273 HydrophobicContact CB-CE2 3.62Å; Y273-N275 PolarHBondContact O-N 2.83Å; Y273-F290 CarbonylContact O-C 3.59Å; Y273-F290 WeakPolarHBondContact O-CA 3.48Å; Y273-S291 PolarHBondContact N-O 2.97Å; Y273-S291 PolarHBondContact O-N 3.21Å; Y273-V293 HydrophobicContact CD2-CB 4.48Å; Y273-V293 HydrophobicContact CD2-CG2 4.17Å; Y273-V293 HydrophobicContact CE2-CB 4.2Å; Y273-V293 HydrophobicContact CE2-CG2 4.3Å
274	P	70.9	Confident	65.4	Low	83 Å²	83	82.9 Å²	82.9	54%	0.539	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.6	174	24.4	-30.4	0	0	0	110.2	I276 F290	P274-I276 PolarHBondContact O-N 2.84Å; P274-F290 HydrophobicContact CB-CD1 4.38Å; P274-F290 HydrophobicContact CB-CE1 4.18Å
275	N	61.5	Low	62.7	Low	68 Å²	68	86.8 Å²	86.8	36%	0.364	46%	0.462	S	S	.	.			trans	-70.9	93.3	175.3	-89.6	-42	0	0	0	110.8	Y273 L277 H289 S291	Y273-N275 PolarHBondContact O-N 2.83Å; N275-L277 PolarHBondContact O-N 2.83Å; N275-H289 VanDerWaalsContact CB-O 3.29Å; N275-H289 WeakPolarHBondContact CB-O 3.47Å; N275-H289 PolarHBondContact ND2-O 3.07Å; N275-S291 VanDerWaalsContact CG-OG 3.23Å; N275-S291 PolarHBondContact ND2-OG 2.99Å; N275-S291 VanDerWaalsContact ND2-OG 3.1Å; N275-S291 PolarHBondContact OD1-OG 2.92Å
276	I	52.5	Low	60.1	Low	137 Å²	137	92.8 Å²	92.8	70%	0.703	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-68.8	-16.2	178.6	-62.9	167.2	0	0	0	111.7	P274 N278	P274-I276 PolarHBondContact O-N 2.84Å; I276-N278 PolarHBondContact O-N 2.82Å
277	L	44.9	Very low	57.7	Low	160 Å²	160	98.7 Å²	98.7	84%	0.838	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-81.3	-5.9	-174.3	-80.1	158.8	0	0	0	116.1	N275	N275-L277 PolarHBondContact O-N 2.83Å
278	N	39.5	Very low	55.7	Low	112 Å²	112	105 Å²	105	60%	0.599	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-101.7	16.2	-179.5	-90.7	-1	0	0	0	115.5	I276 V280	I276-N278 PolarHBondContact O-N 2.82Å; N278-V280 PolarHBondContact O-N 2.81Å; N278-V280 VanDerWaalsContact O-N 3.07Å
279	R	36.5	Very low	54.4	Low	234 Å²	234	110.8 Å²	110.8	88%	0.883	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	14.4	176.5	-78	-168.9	178.8	-177	1.3	115.6
280	V	38.2	Very low	53.3	Low	138 Å²	138	113 Å²	113	84%	0.836	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	18	179.9	-163.4	0	0	0	0	112.5	N278	N278-V280 PolarHBondContact O-N 2.81Å; N278-V280 VanDerWaalsContact O-N 3.07Å
281	S	34.7	Very low	52.8	Low	88 Å²	88	114.8 Å²	114.8	62%	0.615	60%	0.6	S	S	*	*			trans	-135.3	111	174.5	-54.4	0	0	0	0	110.6	V283	S281-V283 PolarHBondContact O-N 3.44Å
282	E	34.6	Very low	52.7	Low	208 Å²	208	114.8 Å²	114.8	97%	0.972	60%	0.599	S	S	*	*			trans	-67	76.8	167.2	-71.5	-179.1	161.4	0	0	109.4
283	V	31.1	Very low	52.9	Low	123 Å²	123	114.1 Å²	114.1	75%	0.745	60%	0.598	S	S	*	*			trans	-132.4	132.7	164.1	-172.4	0	0	0	0	107.3	S281	S281-V283 PolarHBondContact O-N 3.44Å
284	S	31.6	Very low	53.5	Low	86 Å²	86	108.4 Å²	108.4	60%	0.601	58%	0.575	S	S	*	*			trans	-36.1	142.2	-170.7	56.2	0	0	0	0	116.3	K286	S284-K286 PolarHBondContact O-N 2.98Å
285	P	32.5	Very low	54.5	Low	132 Å²	132	106.6 Å²	106.6	86%	0.857	56%	0.561	S	S	*	*			trans	-73.6	94.1	176.8	31.7	-31.2	0	0	0	108.9
286	K	35.1	Very low	55.9	Low	178 Å²	178	104.8 Å²	104.8	77%	0.774	55%	0.553	S	S	*	*			trans	-131.8	-0.4	175.5	-89.2	-163.5	175.2	-176.5	0	117.3	S284	S284-K286 PolarHBondContact O-N 2.98Å
287	D	40.9	Very low	57.4	Low	129 Å²	129	100.4 Å²	100.4	69%	0.69	53%	0.534	S	S	*	.			trans	-145.7	113.8	162.8	-75.2	-52.9	0	0	0	108.6	H289	D287-H289 VanDerWaalsContact C-N 3.27Å; D287-H289 PolarHBondContact O-N 2.92Å
288	D	47.9	Very low	59.2	Low	141 Å²	141	94.2 Å²	94.2	75%	0.754	50%	0.504	S	S	*	.			trans	-65.4	89.5	171.9	-80.3	-30.6	0	0	0	108.7	F290	D288-F290 VanDerWaalsContact C-N 3.28Å; D288-F290 HydrophobicContact CB-CD2 3.88Å; D288-F290 HydrophobicContact CB-CE2 3.5Å; D288-F290 VanDerWaalsContact CB-CE2 3.5Å; D288-F290 HydrophobicContact CB-CZ 4.42Å; D288-F290 WeakPolarHBondContact O-CD2 3.48Å; D288-F290 PolarHBondContact O-N 2.77Å
289	H	62.8	Low	61	Low	123 Å²	123	95 Å²	95	57%	0.569	52%	0.518	S	S	*	.			trans	-74.1	81.5	177.5	-71.9	-40.7	0	0	0	110.4	N275 D287	N275-H289 VanDerWaalsContact CB-O 3.29Å; N275-H289 WeakPolarHBondContact CB-O 3.47Å; N275-H289 PolarHBondContact ND2-O 3.07Å; D287-H289 VanDerWaalsContact C-N 3.27Å; D287-H289 PolarHBondContact O-N 2.92Å
290	F	69.1	Low	63	Low	77 Å²	77	89.1 Å²	89.1	34%	0.338	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	135.5	165.2	-68.5	-84.7	0	0	0	110.2	F272 Y273 P274 D288 H319	F272-F290 HydrophobicContact CD1-CB 4.49Å; Y273-F290 CarbonylContact O-C 3.59Å; Y273-F290 WeakPolarHBondContact O-CA 3.48Å; P274-F290 HydrophobicContact CB-CD1 4.38Å; P274-F290 HydrophobicContact CB-CE1 4.18Å; D288-F290 VanDerWaalsContact C-N 3.28Å; D288-F290 HydrophobicContact CB-CD2 3.88Å; D288-F290 HydrophobicContact CB-CE2 3.5Å; D288-F290 VanDerWaalsContact CB-CE2 3.5Å; D288-F290 HydrophobicContact CB-CZ 4.42Å; D288-F290 WeakPolarHBondContact O-CD2 3.48Å; D288-F290 PolarHBondContact O-N 2.77Å; F290-H319 AromaticContact CD1-CE1 3.87Å; F290-H319 AromaticContact CD2-CE1 3.59Å; F290-H319 AromaticContact CE1-CE1 3.98Å; F290-H319 AromaticContact CE2-CE1 3.68Å; F290-H319 AromaticContact CG-CE1 3.69Å; F290-H319 AromaticContact CZ-CE1 3.9Å
291	S	81.7	Confident	65.3	Low	38 Å²	38	83.4 Å²	83.4	27%	0.266	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129.5	166.6	-82.6	0	0	0	0	109.2	Y273 N275	Y273-S291 PolarHBondContact N-O 2.97Å; Y273-S291 PolarHBondContact O-N 3.21Å; N275-S291 VanDerWaalsContact CG-OG 3.23Å; N275-S291 PolarHBondContact ND2-OG 2.99Å; N275-S291 VanDerWaalsContact ND2-OG 3.1Å; N275-S291 PolarHBondContact OD1-OG 2.92Å
292	C	89.6	Confident	67.8	Low	6 Å²	6	80.8 Å²	80.8	4%	0.041	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.9	177.3	-169.6	0	0	0	0	110.2	F272 I306 V311	F272-C292 HydrophobicContact CD1-CB 4.18Å; F272-C292 HydrophobicContact CE1-CB 4.05Å; C292-I306 HydrophobicContact CB-CB 4.26Å; C292-I306 PolarHBondContact O-N 3.03Å; C292-V311 HydrophobicContact CB-CG2 4.02Å
293	V	92.8	Very high	70.5	Confident	15 Å²	15	73.5 Å²	73.5	9%	0.091	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.6	176.7	-178	0	0	0	0	108.5	A271 Y273 L303 V304	A271-V293 PolarHBondContact N-O 3.4Å; A271-V293 PolarHBondContact O-N 3.01Å; Y273-V293 HydrophobicContact CD2-CB 4.48Å; Y273-V293 HydrophobicContact CD2-CG2 4.17Å; Y273-V293 HydrophobicContact CE2-CB 4.2Å; Y273-V293 HydrophobicContact CE2-CG2 4.3Å; V293-L303 HydrophobicContact CG1-CB 3.99Å; V293-L303 HydrophobicContact CG1-CD2 4.12Å; V293-V304 CarbonylContact C-O 3.51Å; V293-V304 VanDerWaalsContact CA-O 3.29Å; V293-V304 WeakPolarHBondContact CA-O 3.16Å; V293-V304 WeakPolarHBondContact CG1-O 3.19Å
294	L	94.2	Very high	73.5	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	123.5	169.3	-176.5	114	0	0	0	110.1	F266 C269 L270 V304 I306 C329 I345	F266-L294 HydrophobicContact CD2-CD2 4.07Å; F266-L294 HydrophobicContact CE2-CD2 3.61Å; C269-L294 CarbonylContact O-C 3.27Å; C269-L294 WeakPolarHBondContact O-CA 3.13Å; L270-L294 HydrophobicContact CD2-CB 4.38Å; L270-L294 HydrophobicContact CD2-CD1 4.02Å; L294-V304 HydrophobicContact CB-CB 4.29Å; L294-V304 HydrophobicContact CD2-CG2 4.35Å; L294-V304 PolarHBondContact N-O 3.01Å; L294-V304 PolarHBondContact O-N 3.09Å; L294-I306 HydrophobicContact CB-CD1 3.79Å; L294-I306 HydrophobicContact CB-CG1 3.82Å; L294-C329 HydrophobicContact CD1-CB 3.73Å; L294-C329 HydrophobicContact CD2-CB 3.63Å; L294-C329 HydrophobicContact CG-CB 4.17Å; L294-I345 HydrophobicContact CD1-CD1 3.86Å
295	L	92.7	Very high	76.5	Confident	46 Å²	46	66.3 Å²	66.3	24%	0.241	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	110.8	168	-54.7	-176.8	0	0	0	108.3	G268 C269 A271 L303 L323	G268-L295 CarbonylContact C-O 3.49Å; G268-L295 WeakPolarHBondContact CA-O 3.26Å; C269-L295 PolarHBondContact N-O 3.24Å; C269-L295 PolarHBondContact O-N 3.48Å; A271-L295 HydrophobicContact CB-CD1 3.83Å; A271-L295 HydrophobicContact CB-CD2 4.2Å; A271-L295 HydrophobicContact CB-CG 3.83Å; L295-L303 HydrophobicContact CD2-CD2 3.37Å; L295-L323 HydrophobicContact CD1-CD2 4.1Å
296	P	90.4	Very high	79.4	Confident	30 Å²	30	60.4 Å²	60.4	20%	0.195	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	145.7	-176	26.6	-31.9	0	0	0	111.9	F266 S298 H301	F266-P296 HydrophobicContact CD2-CB 4.16Å; F266-P296 HydrophobicContact CE2-CB 4.01Å; P296-S298 PolarHBondContact O-N 3.45Å; P296-H301 HydrophobicContact CB-CB 3.7Å; P296-H301 HydrophobicContact CG-CB 4.22Å; P296-H301 WeakPolarHBondContact CG-O 3.37Å
297	S	85.2	Confident	82	Confident	45 Å²	45	55.5 Å²	55.5	32%	0.315	30%	0.301	S	S	.	.	S	Bend	trans	-71.5	-12.8	174.6	-55.5	0	0	0	0	113.2	I188 L267	I188-S297 WeakPolarHBondContact CD1-O 3.46Å; I188-S297 VanDerWaalsContact CG2-O 3.29Å; I188-S297 WeakPolarHBondContact CG2-O 3.39Å; L267-S297 PolarHBondContact O-N 2.87Å; L267-S297 PolarHBondContact O-OG 2.85Å
298	S	82.2	Confident	84.2	Confident	30 Å²	30	53.2 Å²	53.2	21%	0.21	29%	0.293	C	S	.	.	S	Bend	trans	-125.3	135.7	176.2	-173.6	0	0	0	0	110.1	P296 R300 H301	P296-S298 PolarHBondContact O-N 3.45Å; S298-R300 PolarHBondContact O-N 3.42Å; S298-R300 PolarHBondContact OG-N 3.46Å; S298-R300 PolarHBondContact OG-NE 2.85Å; S298-H301 PolarHBondContact O-N 3.27Å
299	S	78.3	Confident	86.2	Confident	128 Å²	128	51.2 Å²	51.2	90%	0.895	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-12	174.2	57	0	0	0	0	113.8	H301	S299-H301 VanDerWaalsContact C-N 3.25Å; S299-H301 PolarHBondContact O-N 2.9Å
300	R	77.7	Confident	87.6	Confident	111 Å²	111	47.3 Å²	47.3	42%	0.419	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-17.3	172.9	-63.7	-173.5	-70.9	153.2	-11.8	113.4	S298 E365	S298-R300 PolarHBondContact O-N 3.42Å; S298-R300 PolarHBondContact OG-N 3.46Å; S298-R300 PolarHBondContact OG-NE 2.85Å; R300-E365 VanDerWaalsContact NH2-CG 3.26Å; R300-E365 IonicContact NH2-OE1 2.73Å; R300-E365 PolarHBondContact NH2-OE1 3.3Å
301	H	85.9	Confident	88.6	Confident	18 Å²	18	44.1 Å²	44.1	8%	0.083	26%	0.261	C	S	.	.	S	Bend	trans	-108.5	146.3	-179.6	-57.5	-52.2	0	0	0	110.2	A262 F266 P296 S298 S299	A262-H301 PolarHBondContact O-CE1 2.96Å; F266-H301 HydrophobicContact CD1-CB 4.27Å; F266-H301 AromaticContact CD1-CG 3.82Å; F266-H301 AromaticContact CD1-ND1 3.8Å; F266-H301 HydrophobicContact CD2-CB 3.83Å; F266-H301 AromaticContact CD2-CD2 3.89Å; F266-H301 AromaticContact CD2-CG 3.86Å; F266-H301 HydrophobicContact CE1-CB 4.19Å; F266-H301 HydrophobicContact CE2-CB 3.73Å; F266-H301 HydrophobicContact CG-CB 4.1Å; F266-H301 AromaticContact CG-CD2 3.6Å; F266-H301 AromaticContact CG-CG 3.64Å; F266-H301 AromaticContact CG-NE2 4Å; F266-H301 HydrophobicContact CZ-CB 3.91Å; P296-H301 HydrophobicContact CB-CB 3.7Å; P296-H301 HydrophobicContact CG-CB 4.22Å; P296-H301 WeakPolarHBondContact CG-O 3.37Å; S298-H301 PolarHBondContact O-N 3.27Å; S299-H301 VanDerWaalsContact C-N 3.25Å; S299-H301 PolarHBondContact O-N 2.9Å
302	P	86.9	Confident	88.9	Confident	32 Å²	32	43.8 Å²	43.8	21%	0.208	26%	0.258	C	S	.	.			trans	-84.3	164.4	175.3	33.6	-32	0	0	0	111.4	R120 V304 W334 P341	R120-P302 VanDerWaalsContact NH1-CD 3.33Å; P302-V304 WeakPolarHBondContact O-CG2 3.2Å; P302-W334 HydrophobicContact CG-CH2 4.4Å; P302-P341 HydrophobicContact CG-CG 4.09Å
303	L	92.4	Very high	88.8	Confident	55 Å²	55	46.7 Å²	46.7	29%	0.288	28%	0.279	S	S	.	.			trans	-54.7	145.2	164.6	-63.3	170.4	0	0	0	110.6	V293 L295 Y340 P341	V293-L303 HydrophobicContact CG1-CB 3.99Å; V293-L303 HydrophobicContact CG1-CD2 4.12Å; L295-L303 HydrophobicContact CD2-CD2 3.37Å; L303-Y340 HydrophobicContact CB-CD1 3.75Å; L303-Y340 HydrophobicContact CB-CE1 3.93Å; L303-Y340 HydrophobicContact CB-CG 4.23Å; L303-Y340 HydrophobicContact CD1-CE1 3.87Å; L303-Y340 HydrophobicContact CG-CE1 4.32Å; L303-P341 VanDerWaalsContact O-CD 3.26Å; L303-P341 WeakPolarHBondContact O-CD 3.42Å; L303-P341 WeakPolarHBondContact O-CG 3.43Å
304	V	93.3	Very high	88.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.4	-179.2	-168.7	0	0	0	0	110.1	F266 V293 L294 P302 I306 I331 P341	F266-V304 HydrophobicContact CE2-CG2 3.93Å; F266-V304 HydrophobicContact CZ-CG2 3.51Å; V293-V304 CarbonylContact C-O 3.51Å; V293-V304 VanDerWaalsContact CA-O 3.29Å; V293-V304 WeakPolarHBondContact CA-O 3.16Å; V293-V304 WeakPolarHBondContact CG1-O 3.19Å; L294-V304 HydrophobicContact CB-CB 4.29Å; L294-V304 HydrophobicContact CD2-CG2 4.35Å; L294-V304 PolarHBondContact N-O 3.01Å; L294-V304 PolarHBondContact O-N 3.09Å; P302-V304 WeakPolarHBondContact O-CG2 3.2Å; V304-I306 HydrophobicContact CB-CD1 4.23Å; V304-I306 HydrophobicContact CG1-CD1 4.08Å; V304-I306 PolarHBondContact O-N 3.39Å; V304-I331 HydrophobicContact CG1-CG1 4.48Å; V304-I331 HydrophobicContact CG2-CG1 4.37Å; V304-P341 HydrophobicContact CB-CG 4.35Å; V304-P341 HydrophobicContact CG1-CG 4.18Å; V304-P341 WeakPolarHBondContact CG1-O 3.34Å; V304-P341 HydrophobicContact CG2-CG 3.97Å
305	H	94	Very high	88.1	Confident	58 Å²	58	50.7 Å²	50.7	27%	0.269	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	122.7	167	-74	-66.2	0	0	0	109.5	Y340 P341 H342 G343	H305-Y340 AromaticContact NE2-CD2 3.78Å; H305-P341 PolarHBondContact N-O 3.32Å; H305-H342 CarbonylContact O-C 3.48Å; H305-H342 VanDerWaalsContact O-CA 3.3Å; H305-H342 WeakPolarHBondContact O-CA 3.33Å; H305-G343 PolarHBondContact O-N 2.95Å
306	I	94.1	Very high	87.6	Confident	9 Å²	9	52.5 Å²	52.5	5%	0.046	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	133.6	-175.6	-62.8	-54.9	0	0	0	110.1	L270 C292 L294 V304 P308 V311 C329 I345	L270-I306 HydrophobicContact CD2-CG1 4.16Å; C292-I306 HydrophobicContact CB-CB 4.26Å; C292-I306 PolarHBondContact O-N 3.03Å; L294-I306 HydrophobicContact CB-CD1 3.79Å; L294-I306 HydrophobicContact CB-CG1 3.82Å; V304-I306 HydrophobicContact CB-CD1 4.23Å; V304-I306 HydrophobicContact CG1-CD1 4.08Å; V304-I306 PolarHBondContact O-N 3.39Å; I306-P308 VanDerWaalsContact O-CD 3.22Å; I306-P308 WeakPolarHBondContact O-CD 3.3Å; I306-V311 HydrophobicContact CG2-CG2 3.71Å; I306-C329 HydrophobicContact CD1-CB 4.38Å; I306-I345 HydrophobicContact CD1-CD1 3.74Å; I306-I345 HydrophobicContact CD1-CG1 4.45Å; I306-I345 HydrophobicContact CG1-CD1 4.11Å; I306-I345 HydrophobicContact CG2-CD1 4.14Å; I306-I345 HydrophobicContact CG2-CG1 3.69Å
307	D	90.7	Very high	87.3	Confident	74 Å²	74	59.3 Å²	59.3	40%	0.396	34%	0.336	S	S	.	.			trans	-59.3	115	168.3	-172	-32.6	0	0	0	109.6	S309 T310 G343 V344	D307-S309 PolarHBondContact O-N 3.48Å; D307-S309 WeakPolarHBondContact OD1-CB 3.27Å; D307-S309 PolarHBondContact OD1-N 2.84Å; D307-S309 PolarHBondContact OD1-OG 2.75Å; D307-S309 PolarHBondContact OD2-OG 2.99Å; D307-T310 HydrophobicContact CB-CG2 4.33Å; D307-T310 PolarHBondContact O-N 3.22Å; D307-T310 PolarHBondContact O-OG1 3.42Å; D307-G343 PolarHBondContact N-O 3.47Å; D307-V344 HydrophobicContact CB-CG1 4.04Å
308	P	87.4	Confident	87.3	Confident	81 Å²	81	60.6 Å²	60.6	53%	0.526	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-55.8	-27.7	-177.4	-26.2	35.5	0	0	0	113.8	I306 T310 V311	I306-P308 VanDerWaalsContact O-CD 3.22Å; I306-P308 WeakPolarHBondContact O-CD 3.3Å; P308-T310 PolarHBondContact O-N 2.9Å; P308-V311 PolarHBondContact O-N 3.39Å
309	S	89.3	Confident	87.5	Confident	99 Å²	99	62 Å²	62	69%	0.692	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-66.9	-18	178.9	67.2	0	0	0	0	113.8	D307	D307-S309 PolarHBondContact O-N 3.48Å; D307-S309 WeakPolarHBondContact OD1-CB 3.27Å; D307-S309 PolarHBondContact OD1-N 2.84Å; D307-S309 PolarHBondContact OD1-OG 2.75Å; D307-S309 PolarHBondContact OD2-OG 2.99Å
310	T	92.1	Very high	87.7	Confident	41 Å²	41	61.7 Å²	61.7	25%	0.252	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-101.4	-5.9	-179.1	67.3	0	0	0	0	113.1	D307 P308 V344 I345	D307-T310 HydrophobicContact CB-CG2 4.33Å; D307-T310 PolarHBondContact O-N 3.22Å; D307-T310 PolarHBondContact O-OG1 3.42Å; P308-T310 PolarHBondContact O-N 2.9Å; T310-V344 HydrophobicContact CG2-CB 3.92Å; T310-V344 HydrophobicContact CG2-CG1 3.92Å; T310-I345 PolarHBondContact OG1-N 3.27Å
311	V	90	Very high	87.9	Confident	10 Å²	10	60 Å²	60	6%	0.061	33%	0.326	C	S	.	.	S	Bend	trans	-71.2	130.3	178.4	-177.5	0	0	0	0	109.2	L270 F272 C292 I306 P308 S313 A315 L316	L270-V311 HydrophobicContact CD1-CG1 4.08Å; F272-V311 HydrophobicContact CE1-CG1 4.01Å; F272-V311 HydrophobicContact CZ-CG1 3.78Å; C292-V311 HydrophobicContact CB-CG2 4.02Å; I306-V311 HydrophobicContact CG2-CG2 3.71Å; P308-V311 PolarHBondContact O-N 3.39Å; V311-S313 PolarHBondContact O-N 3.46Å; V311-A315 HydrophobicContact CG1-CB 4.34Å; V311-L316 HydrophobicContact CB-CD1 4.22Å; V311-L316 HydrophobicContact CB-CD2 4.14Å; V311-L316 HydrophobicContact CB-CG 4.04Å; V311-L316 HydrophobicContact CG1-CD1 4.36Å; V311-L316 HydrophobicContact CG1-CD2 3.86Å; V311-L316 HydrophobicContact CG1-CG 3.67Å
312	P	88.5	Confident	87.8	Confident	31 Å²	31	59.1 Å²	59.1	20%	0.201	32%	0.322	C	S	.	.			trans	-56.4	137.7	176.5	-20.2	27	0	0	0	112.2	D314 A315 L316 Y327	P312-D314 PolarHBondContact O-N 2.98Å; P312-D314 VanDerWaalsContact O-N 3.11Å; P312-A315 HydrophobicContact CB-CB 4.38Å; P312-A315 PolarHBondContact O-N 3.39Å; P312-A315 VanDerWaalsContact O-N 3.08Å; P312-L316 PolarHBondContact O-N 3.38Å; P312-Y327 HydrophobicContact CG-CD1 4.1Å; P312-Y327 HydrophobicContact CG-CE1 3.5Å; P312-Y327 VanDerWaalsContact CG-CE1 3.5Å
313	S	87	Confident	87.7	Confident	68 Å²	68	60.9 Å²	60.9	48%	0.476	33%	0.329	S	S	.	.	H	α-helix	trans	-55.7	-33.3	-178.7	53.4	0	0	0	0	113.4	V311 L316 K317	V311-S313 PolarHBondContact O-N 3.46Å; S313-L316 PolarHBondContact O-N 3.1Å; S313-K317 VanDerWaalsContact O-CG 3.3Å; S313-K317 WeakPolarHBondContact O-CG 3.47Å; S313-K317 PolarHBondContact O-N 2.72Å
314	D	85.6	Confident	87.1	Confident	97 Å²	97	65.9 Å²	65.9	52%	0.519	35%	0.349	S	S	.	.	H	α-helix	trans	-74.4	-36.9	-176.8	-54.6	-20.3	0	0	0	110.7	P312 L316 K317 D318 L321	P312-D314 PolarHBondContact O-N 2.98Å; P312-D314 VanDerWaalsContact O-N 3.11Å; D314-L316 VanDerWaalsContact C-N 3.34Å; D314-K317 PolarHBondContact O-N 2.65Å; D314-D318 PolarHBondContact O-N 3.44Å; D314-L321 HydrophobicContact CB-CD1 4.41Å
315	A	85.7	Confident	86.7	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.008	36%	0.355	C	S	.	.	H	α-helix	trans	-70.3	-30	173.1	0	0	0	0	0	112.3	L270 F272 V311 P312 D318 H319	L270-A315 HydrophobicContact CD1-CB 4.4Å; F272-A315 HydrophobicContact CE2-CB 4.44Å; F272-A315 HydrophobicContact CZ-CB 4.2Å; F272-A315 WeakPolarHBondContact CZ-O 3.31Å; V311-A315 HydrophobicContact CG1-CB 4.34Å; P312-A315 HydrophobicContact CB-CB 4.38Å; P312-A315 PolarHBondContact O-N 3.39Å; P312-A315 VanDerWaalsContact O-N 3.08Å; A315-D318 CarbonylContact O-C 3.56Å; A315-D318 VanDerWaalsContact O-C 3.31Å; A315-H319 WeakPolarHBondContact O-CA 3.39Å; A315-H319 PolarHBondContact O-CD2 3.2Å; A315-H319 PolarHBondContact O-N 2.93Å
316	L	83.1	Confident	86.3	Confident	84 Å²	84	65.4 Å²	65.4	44%	0.44	35%	0.351	S	S	.	.	H	α-helix	trans	-70.8	-32	171.8	-73.7	168.8	0	0	0	112.6	F272 V311 P312 S313 D314	F272-L316 HydrophobicContact CE1-CD2 3.98Å; V311-L316 HydrophobicContact CB-CD1 4.22Å; V311-L316 HydrophobicContact CB-CD2 4.14Å; V311-L316 HydrophobicContact CB-CG 4.04Å; V311-L316 HydrophobicContact CG1-CD1 4.36Å; V311-L316 HydrophobicContact CG1-CD2 3.86Å; V311-L316 HydrophobicContact CG1-CG 3.67Å; P312-L316 PolarHBondContact O-N 3.38Å; S313-L316 PolarHBondContact O-N 3.1Å; D314-L316 VanDerWaalsContact C-N 3.34Å
317	K	84.2	Confident	86.1	Confident	173 Å²	173	65.2 Å²	65.2	75%	0.752	35%	0.35	S	S	*	.	H	α-helix	trans	-78.1	-40.5	177.6	-73	170	-174.7	171.6	0	112.2	S313 D314	S313-K317 VanDerWaalsContact O-CG 3.3Å; S313-K317 WeakPolarHBondContact O-CG 3.47Å; S313-K317 PolarHBondContact O-N 2.72Å; D314-K317 PolarHBondContact O-N 2.65Å
318	D	85	Confident	86.1	Confident	72 Å²	72	61.7 Å²	61.7	39%	0.385	33%	0.331	S	S	.	.			trans	-130.1	100.5	175.9	176.9	6.7	0	0	0	109.6	D314 A315 Q320 L321	D314-D318 PolarHBondContact O-N 3.44Å; A315-D318 CarbonylContact O-C 3.56Å; A315-D318 VanDerWaalsContact O-C 3.31Å; D318-Q320 PolarHBondContact O-N 3.28Å; D318-Q320 VanDerWaalsContact O-N 3.08Å; D318-Q320 WeakPolarHBondContact OD1-CB 3.5Å; D318-Q320 PolarHBondContact OD1-N 3.46Å; D318-L321 HydrophobicContact CB-CD1 3.86Å; D318-L321 HydrophobicContact CB-CG 4.13Å; D318-L321 WeakPolarHBondContact O-CB 3.43Å; D318-L321 PolarHBondContact O-N 3.05Å
319	H	85.8	Confident	86.4	Confident	61 Å²	61	57.9 Å²	57.9	28%	0.282	31%	0.306	S	S	.	.	H	α-helix	trans	-57.7	-24.1	-179.5	-63.7	165.2	0	0	0	113.1	F272 F290 A315 L321 G322	F272-H319 HydrophobicContact CB-CB 4.23Å; F272-H319 AromaticContact CD1-CD2 3.75Å; F272-H319 AromaticContact CD1-NE2 3.82Å; F272-H319 HydrophobicContact CD2-CB 3.59Å; F272-H319 AromaticContact CD2-CD2 3.65Å; F272-H319 AromaticContact CD2-CG 3.65Å; F272-H319 HydrophobicContact CE2-CB 4.22Å; F272-H319 AromaticContact CE2-CD2 3.97Å; F272-H319 HydrophobicContact CG-CB 4.08Å; F272-H319 AromaticContact CG-CD2 3.53Å; F272-H319 AromaticContact CG-CG 3.65Å; F272-H319 AromaticContact CG-NE2 3.9Å; F290-H319 AromaticContact CD1-CE1 3.87Å; F290-H319 AromaticContact CD2-CE1 3.59Å; F290-H319 AromaticContact CE1-CE1 3.98Å; F290-H319 AromaticContact CE2-CE1 3.68Å; F290-H319 AromaticContact CG-CE1 3.69Å; F290-H319 AromaticContact CZ-CE1 3.9Å; A315-H319 WeakPolarHBondContact O-CA 3.39Å; A315-H319 PolarHBondContact O-CD2 3.2Å; A315-H319 PolarHBondContact O-N 2.93Å; H319-L321 VanDerWaalsContact C-N 3.29Å; H319-L321 PolarHBondContact O-N 3.16Å; H319-G322 PolarHBondContact O-N 3.18Å
320	Q	83.5	Confident	86.6	Confident	121 Å²	121	57.9 Å²	57.9	57%	0.565	29%	0.291	S	S	*	.	H	α-helix	trans	-69.1	-28	176.8	-63.4	-163.2	-3.6	0	0	112.7	D318 G322 L323 K324	D318-Q320 PolarHBondContact O-N 3.28Å; D318-Q320 VanDerWaalsContact O-N 3.08Å; D318-Q320 WeakPolarHBondContact OD1-CB 3.5Å; D318-Q320 PolarHBondContact OD1-N 3.46Å; Q320-G322 PolarHBondContact O-N 3Å; Q320-L323 PolarHBondContact O-N 3.47Å; Q320-K324 WeakPolarHBondContact O-CG 3.38Å; Q320-K324 PolarHBondContact O-N 3.38Å
321	L	82.5	Confident	86.7	Confident	75 Å²	75	56.4 Å²	56.4	39%	0.393	28%	0.282	S	S	.	.	H	α-helix	trans	-66.5	-28.6	174.3	-69.1	170.3	0	0	0	111.7	D314 D318 H319 L323 K324 S325	D314-L321 HydrophobicContact CB-CD1 4.41Å; D318-L321 HydrophobicContact CB-CD1 3.86Å; D318-L321 HydrophobicContact CB-CG 4.13Å; D318-L321 WeakPolarHBondContact O-CB 3.43Å; D318-L321 PolarHBondContact O-N 3.05Å; H319-L321 VanDerWaalsContact C-N 3.29Å; H319-L321 PolarHBondContact O-N 3.16Å; L321-L323 VanDerWaalsContact C-N 3.33Å; L321-L323 PolarHBondContact O-N 3.21Å; L321-K324 PolarHBondContact O-N 3.12Å; L321-S325 WeakPolarHBondContact O-CB 3.35Å; L321-S325 PolarHBondContact O-N 2.79Å
322	G	82.9	Confident	86.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.2	-40.9	172.5	0	0	0	0	0	112.8	L270 H319 Q320 Y327	L270-G322 PolarHBondContact N-O 2.85Å; L270-G322 CarbonylContact O-C 3.55Å; H319-G322 PolarHBondContact O-N 3.18Å; Q320-G322 PolarHBondContact O-N 3Å; G322-Y327 WeakPolarHBondContact O-CE2 3.19Å
323	L	84.4	Confident	86.9	Confident	69 Å²	69	63.5 Å²	63.5	36%	0.361	32%	0.315	S	S	.	.	H	α-helix	trans	-78.7	-27.8	-178.8	-70	170.6	0	0	0	113.4	L270 A271 L295 Q320 L321	L270-L323 WeakPolarHBondContact O-CD2 3.27Å; L270-L323 PolarHBondContact O-N 2.83Å; A271-L323 HydrophobicContact CB-CD2 4.15Å; L295-L323 HydrophobicContact CD1-CD2 4.1Å; Q320-L323 PolarHBondContact O-N 3.47Å; L321-L323 VanDerWaalsContact C-N 3.33Å; L321-L323 PolarHBondContact O-N 3.21Å
324	K	80.8	Confident	87	Confident	160 Å²	160	63.4 Å²	63.4	70%	0.696	30%	0.304	S	S	*	.	H	α-helix	trans	-86.2	-12.4	-176.7	-70.9	176.3	-178.8	170.2	0	114.3	Q320 L321	Q320-K324 WeakPolarHBondContact O-CG 3.38Å; Q320-K324 PolarHBondContact O-N 3.38Å; L321-K324 PolarHBondContact O-N 3.12Å
325	S	83.6	Confident	86.9	Confident	20 Å²	20	62.9 Å²	62.9	14%	0.14	30%	0.297	C	S	.	.	S	Bend	trans	-113.7	154.2	-176.3	-155.7	0	0	0	0	111.4	C269 L321 N348 G350	C269-S325 WeakPolarHBondContact CB-O 3.32Å; L321-S325 WeakPolarHBondContact O-CB 3.35Å; L321-S325 PolarHBondContact O-N 2.79Å; S325-N348 PolarHBondContact OG-OD1 3.26Å; S325-N348 VanDerWaalsContact OG-OD1 3.1Å; S325-G350 WeakPolarHBondContact OG-CA 3.37Å
326	S	86.8	Confident	86.4	Confident	27 Å²	27	68.6 Å²	68.6	19%	0.189	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.1	174.4	-63.7	0	0	0	0	110.3	N348 F349 G350	S326-N348 PolarHBondContact O-OD1 3.16Å; S326-F349 WeakPolarHBondContact O-CA 3.48Å; S326-F349 VanDerWaalsContact O-CB 3.28Å; S326-F349 WeakPolarHBondContact O-CB 3.28Å; S326-F349 PolarHBondContact O-N 3.34Å; S326-G350 PolarHBondContact O-N 3.46Å
327	Y	90.3	Very high	86.2	Confident	6 Å²	6	72.3 Å²	72.3	2%	0.024	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.3	-179.2	-60.6	-82.9	0	0	0	110.3	L267 G268 L270 P312 G322 I345 N348	L267-Y327 WeakPolarHBondContact CA-O 3.29Å; G268-Y327 PolarHBondContact N-O 2.96Å; G268-Y327 PolarHBondContact O-N 3.07Å; L270-Y327 HydrophobicContact CB-CD2 4.46Å; L270-Y327 HydrophobicContact CB-CE2 4.33Å; L270-Y327 HydrophobicContact CD1-CD1 4.27Å; L270-Y327 HydrophobicContact CD1-CD2 3.83Å; L270-Y327 HydrophobicContact CD1-CE1 4.22Å; L270-Y327 HydrophobicContact CD1-CE2 3.72Å; L270-Y327 HydrophobicContact CD1-CG 4.08Å; L270-Y327 HydrophobicContact CD2-CD2 4.48Å; L270-Y327 HydrophobicContact CG-CD2 3.56Å; L270-Y327 HydrophobicContact CG-CE2 3.74Å; L270-Y327 HydrophobicContact CG-CG 4.07Å; P312-Y327 HydrophobicContact CG-CD1 4.1Å; P312-Y327 HydrophobicContact CG-CE1 3.5Å; P312-Y327 VanDerWaalsContact CG-CE1 3.5Å; G322-Y327 WeakPolarHBondContact O-CE2 3.19Å; Y327-I345 HydrophobicContact CD1-CG2 4.02Å; Y327-I345 HydrophobicContact CG-CG2 4.47Å; Y327-N348 HydrophobicContact CD1-CB 3.99Å; Y327-N348 HydrophobicContact CE1-CB 3.86Å; Y327-N348 VanDerWaalsContact CE1-CG 3.42Å
328	V	90.5	Very high	86.1	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.7	171.2	-172.2	0	0	0	0	109.2	K265 L267 E346 Q347 F349 L364	K265-V328 HydrophobicContact CD-CG1 3.92Å; K265-V328 HydrophobicContact CG-CG1 3.39Å; L267-V328 HydrophobicContact CD2-CG2 3.94Å; L267-V328 HydrophobicContact CG-CG2 4.14Å; V328-E346 PolarHBondContact O-N 2.83Å; V328-Q347 HydrophobicContact CB-CB 4.34Å; V328-Q347 HydrophobicContact CG2-CB 4.44Å; V328-Q347 PolarHBondContact N-O 2.8Å; V328-F349 HydrophobicContact CG2-CD2 3.32Å; V328-F349 HydrophobicContact CG2-CE2 3.16Å; V328-F349 HydrophobicContact CG2-CG 4.17Å; V328-F349 HydrophobicContact CG2-CZ 3.88Å; V328-L364 HydrophobicContact CG1-CD1 3.94Å; V328-L364 HydrophobicContact CG2-CD1 3.94Å
329	C	93.1	Very high	86	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134.7	174.7	172.7	0	0	0	0	109.9	K265 F266 L294 I306 V344 I345	K265-C329 VanDerWaalsContact CA-O 3.31Å; K265-C329 WeakPolarHBondContact CA-O 3.33Å; F266-C329 PolarHBondContact N-O 2.76Å; F266-C329 VanDerWaalsContact N-O 3.1Å; F266-C329 PolarHBondContact O-N 3.11Å; L294-C329 HydrophobicContact CD1-CB 3.73Å; L294-C329 HydrophobicContact CD2-CB 3.63Å; L294-C329 HydrophobicContact CG-CB 4.17Å; I306-C329 HydrophobicContact CD1-CB 4.38Å; C329-V344 WeakPolarHBondContact CA-O 3.41Å; C329-I345 HydrophobicContact CB-CD1 4.14Å
330	R	94.4	Very high	86.1	Confident	99 Å²	99	68.2 Å²	68.2	37%	0.374	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.9	164.3	-179.5	173.3	55	79.8	5.6	110.2	Q264 T332 G343 V344 E346	Q264-R330 CarbonylContact O-C 3.58Å; Q264-R330 VanDerWaalsContact O-CA 3.29Å; Q264-R330 WeakPolarHBondContact O-CA 3.23Å; R330-T332 PolarHBondContact O-N 3.46Å; R330-G343 CarbonylContact O-C 3.49Å; R330-G343 WeakPolarHBondContact O-CA 3.17Å; R330-V344 HydrophobicContact CB-CG2 4.35Å; R330-V344 PolarHBondContact N-O 3.2Å; R330-V344 PolarHBondContact O-N 3.4Å; R330-E346 HydrophobicContact CB-CG 3.97Å; R330-E346 WeakPolarHBondContact CD-OE1 3.29Å; R330-E346 IonicContact CZ-OE1 3.28Å; R330-E346 IonicContact NE-OE1 2.67Å; R330-E346 PolarHBondContact NE-OE1 2.71Å; R330-E346 IonicContact NH2-OE1 3Å
331	I	93	Very high	86.5	Confident	11 Å²	11	62.5 Å²	62.5	6%	0.056	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	129	170.9	-65.4	-177.3	0	0	0	109.1	Q264 F266 V304 P341	Q264-I331 PolarHBondContact O-N 3.47Å; F266-I331 HydrophobicContact CE1-CD1 3.7Å; F266-I331 HydrophobicContact CE1-CG1 4.01Å; F266-I331 HydrophobicContact CZ-CD1 4.03Å; F266-I331 HydrophobicContact CZ-CG1 4.28Å; V304-I331 HydrophobicContact CG1-CG1 4.48Å; V304-I331 HydrophobicContact CG2-CG1 4.37Å; I331-P341 HydrophobicContact CD1-CB 3.95Å; I331-P341 HydrophobicContact CD1-CG 3.85Å; I331-P341 HydrophobicContact CG1-CB 4.28Å; I331-P341 HydrophobicContact CG1-CG 4.41Å; I331-P341 HydrophobicContact CG2-CB 3.91Å
332	T	92.4	Very high	87	Confident	72 Å²	72	62 Å²	62	44%	0.442	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-37.7	178.7	55.8	0	0	0	0	111.5	R330 H342 V344	R330-T332 PolarHBondContact O-N 3.46Å; T332-H342 PolarHBondContact N-O 3.37Å; T332-H342 PolarHBondContact OG1-O 3.08Å; T332-V344 HydrophobicContact CG2-CB 4.37Å; T332-V344 HydrophobicContact CG2-CG1 3.85Å; T332-V344 HydrophobicContact CG2-CG2 3.79Å
333	K	89.9	Confident	87.6	Confident	117 Å²	117	62.1 Å²	62.1	51%	0.509	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	147.5	-174.9	-163.1	165.2	-179.1	-179.6	0	111.7	F335 H342	K333-F335 HydrophobicContact CD-CD1 4.29Å; K333-F335 HydrophobicContact CD-CE1 3.66Å; K333-F335 HydrophobicContact CD-CE2 4.14Å; K333-F335 HydrophobicContact CD-CZ 3.57Å; K333-F335 HydrophobicContact CG-CE1 4.37Å; K333-F335 HydrophobicContact CG-CE2 4.34Å; K333-F335 HydrophobicContact CG-CZ 4.24Å; K333-F335 VanDerWaalsContact NZ-CE1 3.32Å; K333-H342 PolarHBondContact N-O 2.79Å; K333-H342 PolarHBondContact O-N 2.98Å
334	W	88.9	Confident	88.1	Confident	67 Å²	67	60 Å²	60	25%	0.254	28%	0.284	S	S	.	.			trans	-130.8	108.3	168.6	-158.4	-22	0	0	0	109	N118 R120 P302 S338 P341	N118-W334 HydrophobicContact CB-CD2 3.91Å; N118-W334 HydrophobicContact CB-CE3 3.79Å; N118-W334 HydrophobicContact CB-CG 4.34Å; N118-W334 HydrophobicContact CB-CZ3 4.07Å; N118-W334 WeakPolarHBondContact O-CZ3 3.24Å; R120-W334 HydrophobicContact CG-CZ3 4.3Å; P302-W334 HydrophobicContact CG-CH2 4.4Å; W334-S338 PolarHBondContact NE1-O 3.05Å; W334-P341 HydrophobicContact CB-CB 4.29Å; W334-P341 HydrophobicContact CD2-CB 3.94Å; W334-P341 HydrophobicContact CE3-CB 4.22Å; W334-P341 HydrophobicContact CG-CB 4.02Å
335	F	84.4	Confident	88.7	Confident	86 Å²	86	53.1 Å²	53.1	38%	0.377	26%	0.255	S	S	.	.			trans	-75.4	141.9	178.8	-59.8	-85.2	0	0	0	110.5	K333 N337 S338 H342	K333-F335 HydrophobicContact CD-CD1 4.29Å; K333-F335 HydrophobicContact CD-CE1 3.66Å; K333-F335 HydrophobicContact CD-CE2 4.14Å; K333-F335 HydrophobicContact CD-CZ 3.57Å; K333-F335 HydrophobicContact CG-CE1 4.37Å; K333-F335 HydrophobicContact CG-CE2 4.34Å; K333-F335 HydrophobicContact CG-CZ 4.24Å; K333-F335 VanDerWaalsContact NZ-CE1 3.32Å; F335-N337 PolarHBondContact O-N 3.42Å; F335-N337 VanDerWaalsContact O-N 3.12Å; F335-S338 PolarHBondContact O-N 3.14Å; F335-H342 AromaticContact CD2-CE1 3.88Å; F335-H342 AromaticContact CD2-ND1 3.78Å; F335-H342 AromaticContact CE2-ND1 3.91Å
336	E	75.1	Confident	89	Confident	120 Å²	120	56.2 Å²	56.2	56%	0.561	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.5	179.9	-68.3	173.6	-161.6	0	0	113.6	S338	E336-S338 VanDerWaalsContact C-N 3.33Å
337	N	79.7	Confident	88.9	Confident	162 Å²	162	58.1 Å²	58.1	87%	0.866	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	1.3	-175.4	-49.7	-7.6	0	0	0	112.6	F335	F335-N337 PolarHBondContact O-N 3.42Å; F335-N337 VanDerWaalsContact O-N 3.12Å
338	S	82.2	Confident	88.6	Confident	30 Å²	30	61.4 Å²	61.4	21%	0.21	29%	0.291	C	S	.	.			trans	-110.5	129	-172.7	-167.8	0	0	0	0	111.2	W334 F335 E336 Y340	W334-S338 PolarHBondContact NE1-O 3.05Å; F335-S338 PolarHBondContact O-N 3.14Å; E336-S338 VanDerWaalsContact C-N 3.33Å; S338-Y340 PolarHBondContact O-N 3.24Å; S338-Y340 PolarHBondContact OG-O 3.24Å
339	K	81.6	Confident	87.8	Confident	119 Å²	119	61.4 Å²	61.4	52%	0.517	29%	0.291	S	S	.	.	S	Bend	trans	-62.6	-32	175.2	-171.7	172.5	-178.4	174.3	0	111.5	E154	E154-K339 IonicContact OE1-NZ 3.32Å; E154-K339 PolarHBondContact OE1-NZ 2.83Å
340	Y	87.5	Confident	86.6	Confident	72 Å²	72	62.5 Å²	62.5	28%	0.282	30%	0.303	S	S	.	.	S	Bend	trans	-121.1	141.2	-174.6	-55.2	-60.8	0	0	0	112.2	L303 H305 S338	L303-Y340 HydrophobicContact CB-CD1 3.75Å; L303-Y340 HydrophobicContact CB-CE1 3.93Å; L303-Y340 HydrophobicContact CB-CG 4.23Å; L303-Y340 HydrophobicContact CD1-CE1 3.87Å; L303-Y340 HydrophobicContact CG-CE1 4.32Å; H305-Y340 AromaticContact NE2-CD2 3.78Å; S338-Y340 PolarHBondContact O-N 3.24Å; S338-Y340 PolarHBondContact OG-O 3.24Å
341	P	92.2	Very high	85.3	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.309	C	S	.	.			trans	-62.5	160.9	171.4	31.2	-41.4	0	0	0	112	P302 L303 V304 H305 I331 W334	P302-P341 HydrophobicContact CG-CG 4.09Å; L303-P341 VanDerWaalsContact O-CD 3.26Å; L303-P341 WeakPolarHBondContact O-CD 3.42Å; L303-P341 WeakPolarHBondContact O-CG 3.43Å; V304-P341 HydrophobicContact CB-CG 4.35Å; V304-P341 HydrophobicContact CG1-CG 4.18Å; V304-P341 WeakPolarHBondContact CG1-O 3.34Å; V304-P341 HydrophobicContact CG2-CG 3.97Å; H305-P341 PolarHBondContact N-O 3.32Å; I331-P341 HydrophobicContact CD1-CB 3.95Å; I331-P341 HydrophobicContact CD1-CG 3.85Å; I331-P341 HydrophobicContact CG1-CB 4.28Å; I331-P341 HydrophobicContact CG1-CG 4.41Å; I331-P341 HydrophobicContact CG2-CB 3.91Å; W334-P341 HydrophobicContact CB-CB 4.29Å; W334-P341 HydrophobicContact CD2-CB 3.94Å; W334-P341 HydrophobicContact CE3-CB 4.22Å; W334-P341 HydrophobicContact CG-CB 4.02Å
342	H	94	Very high	84.2	Confident	66 Å²	66	64.5 Å²	64.5	31%	0.306	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.6	166.7	-66.9	56.1	0	0	0	109.5	H305 T332 K333 F335	H305-H342 CarbonylContact O-C 3.48Å; H305-H342 VanDerWaalsContact O-CA 3.3Å; H305-H342 WeakPolarHBondContact O-CA 3.33Å; T332-H342 PolarHBondContact N-O 3.37Å; T332-H342 PolarHBondContact OG1-O 3.08Å; K333-H342 PolarHBondContact N-O 2.79Å; K333-H342 PolarHBondContact O-N 2.98Å; F335-H342 AromaticContact CD2-CE1 3.88Å; F335-H342 AromaticContact CD2-ND1 3.78Å; F335-H342 AromaticContact CE2-ND1 3.91Å
343	G	94.9	Very high	83.1	Confident	2 Å²	2	64.2 Å²	64.2	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	176.4	-177.1	0	0	0	0	0	112.9	H305 D307 R330	H305-G343 PolarHBondContact O-N 2.95Å; D307-G343 PolarHBondContact N-O 3.47Å; R330-G343 CarbonylContact O-C 3.49Å; R330-G343 WeakPolarHBondContact O-CA 3.17Å
344	V	95.2	Very high	82.6	Confident	23 Å²	23	62.8 Å²	62.8	14%	0.139	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	148.3	178.8	-66.6	0	0	0	0	109.6	D307 T310 C329 R330 T332 E346	D307-V344 HydrophobicContact CB-CG1 4.04Å; T310-V344 HydrophobicContact CG2-CB 3.92Å; T310-V344 HydrophobicContact CG2-CG1 3.92Å; C329-V344 WeakPolarHBondContact CA-O 3.41Å; R330-V344 HydrophobicContact CB-CG2 4.35Å; R330-V344 PolarHBondContact N-O 3.2Å; R330-V344 PolarHBondContact O-N 3.4Å; T332-V344 HydrophobicContact CG2-CB 4.37Å; T332-V344 HydrophobicContact CG2-CG1 3.85Å; T332-V344 HydrophobicContact CG2-CG2 3.79Å; V344-E346 HydrophobicContact CG2-CG 4.45Å
345	I	93.9	Very high	82.4	Confident	17 Å²	17	60 Å²	60	9%	0.087	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	121.2	168.8	-55.8	-53.6	0	0	0	108.3	L270 L294 I306 T310 Y327 C329	L270-I345 HydrophobicContact CD2-CD1 3.8Å; L270-I345 HydrophobicContact CD2-CG1 4.2Å; L294-I345 HydrophobicContact CD1-CD1 3.86Å; I306-I345 HydrophobicContact CD1-CD1 3.74Å; I306-I345 HydrophobicContact CD1-CG1 4.45Å; I306-I345 HydrophobicContact CG1-CD1 4.11Å; I306-I345 HydrophobicContact CG2-CD1 4.14Å; I306-I345 HydrophobicContact CG2-CG1 3.69Å; T310-I345 PolarHBondContact OG1-N 3.27Å; Y327-I345 HydrophobicContact CD1-CG2 4.02Å; Y327-I345 HydrophobicContact CG-CG2 4.47Å; C329-I345 HydrophobicContact CB-CD1 4.14Å
346	E	89.2	Confident	82.4	Confident	84 Å²	84	59 Å²	59	39%	0.393	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-35.3	177.2	-67.2	-161.5	145.4	0	0	112.1	K265 V328 R330 V344	K265-E346 WeakPolarHBondContact CD-OE2 3.39Å; K265-E346 WeakPolarHBondContact CE-OE2 3.32Å; K265-E346 IonicContact NZ-OE2 2.99Å; K265-E346 PolarHBondContact NZ-OE2 2.67Å; V328-E346 PolarHBondContact O-N 2.83Å; R330-E346 HydrophobicContact CB-CG 3.97Å; R330-E346 WeakPolarHBondContact CD-OE1 3.29Å; R330-E346 IonicContact CZ-OE1 3.28Å; R330-E346 IonicContact NE-OE1 2.67Å; R330-E346 PolarHBondContact NE-OE1 2.71Å; R330-E346 IonicContact NH2-OE1 3Å; V344-E346 HydrophobicContact CG2-CG 4.45Å
347	Q	85.4	Confident	82.9	Confident	67 Å²	67	55 Å²	55	31%	0.313	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	140.9	-169.7	-171.9	176.3	-18.9	0	0	110.9	V328 F349 E360	V328-Q347 HydrophobicContact CB-CB 4.34Å; V328-Q347 HydrophobicContact CG2-CB 4.44Å; V328-Q347 PolarHBondContact N-O 2.8Å; Q347-F349 HydrophobicContact CG-CD2 4.17Å; Q347-F349 HydrophobicContact CG-CE2 4.44Å; Q347-E360 PolarHBondContact NE2-OE2 2.95Å; Q347-E360 PolarHBondContact OE1-OE1 3.14Å
348	N	82.9	Confident	83.1	Confident	75 Å²	75	47.7 Å²	47.7	40%	0.401	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	116.6	166	-174.6	-10.9	0	0	0	108.7	S325 S326 Y327 G350	S325-N348 PolarHBondContact OG-OD1 3.26Å; S325-N348 VanDerWaalsContact OG-OD1 3.1Å; S326-N348 PolarHBondContact O-OD1 3.16Å; Y327-N348 HydrophobicContact CD1-CB 3.99Å; Y327-N348 HydrophobicContact CE1-CB 3.86Å; Y327-N348 VanDerWaalsContact CE1-CG 3.42Å; N348-G350 PolarHBondContact OD1-N 3.49Å
349	F	73.4	Confident	83.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-23.3	176.3	-103.6	-133.2	0	0	0	112.1	L267 S326 V328 Q347 N351 L352 K357 E360 N361 L364	L267-F349 HydrophobicContact CD1-CD1 4.1Å; L267-F349 HydrophobicContact CD1-CE1 3.85Å; L267-F349 HydrophobicContact CD1-CZ 4.41Å; L267-F349 HydrophobicContact CD2-CB 3.94Å; L267-F349 HydrophobicContact CD2-CD1 3.73Å; L267-F349 HydrophobicContact CD2-CD2 4.31Å; L267-F349 HydrophobicContact CD2-CE1 4.2Å; L267-F349 HydrophobicContact CD2-CG 3.76Å; S326-F349 WeakPolarHBondContact O-CA 3.48Å; S326-F349 VanDerWaalsContact O-CB 3.28Å; S326-F349 WeakPolarHBondContact O-CB 3.28Å; S326-F349 PolarHBondContact O-N 3.34Å; V328-F349 HydrophobicContact CG2-CD2 3.32Å; V328-F349 HydrophobicContact CG2-CE2 3.16Å; V328-F349 HydrophobicContact CG2-CG 4.17Å; V328-F349 HydrophobicContact CG2-CZ 3.88Å; Q347-F349 HydrophobicContact CG-CD2 4.17Å; Q347-F349 HydrophobicContact CG-CE2 4.44Å; F349-N351 PolarHBondContact O-N 3.47Å; F349-L352 HydrophobicContact CD1-CD2 3.79Å; F349-L352 HydrophobicContact CE1-CD2 4.37Å; F349-K357 HydrophobicContact CD1-CB 3.88Å; F349-K357 HydrophobicContact CE1-CB 4.04Å; F349-K357 WeakPolarHBondContact CE1-O 3.37Å; F349-K357 HydrophobicContact CG-CB 4.48Å; F349-K357 HydrophobicContact CG-CD 4.49Å; F349-K357 WeakPolarHBondContact O-CD 3.45Å; F349-K357 VanDerWaalsContact O-CE 3.23Å; F349-K357 WeakPolarHBondContact O-CE 3.43Å; F349-K357 PolarHBondContact O-NZ 3.11Å; F349-E360 HydrophobicContact CE1-CB 4.19Å; F349-E360 HydrophobicContact CE2-CG 4.27Å; F349-E360 VanDerWaalsContact CE2-OE2 3.28Å; F349-E360 WeakPolarHBondContact CE2-OE2 3.16Å; F349-E360 HydrophobicContact CZ-CB 3.6Å; F349-E360 VanDerWaalsContact CZ-CD 3.42Å; F349-E360 HydrophobicContact CZ-CG 3.61Å; F349-E360 VanDerWaalsContact CZ-OE2 3.31Å; F349-E360 WeakPolarHBondContact CZ-OE2 3.28Å; F349-N361 HydrophobicContact CE1-CB 4.16Å; F349-L364 HydrophobicContact CZ-CD1 4.18Å
350	G	68.8	Low	83.8	Confident	24 Å²	24	43.2 Å²	43.2	25%	0.247	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.5	-131.5	-176.2	0	0	0	0	0	111.2	S325 S326 N348	S325-G350 WeakPolarHBondContact OG-CA 3.37Å; S326-G350 PolarHBondContact O-N 3.46Å; N348-G350 PolarHBondContact OD1-N 3.49Å
351	N	66.4	Low	83.8	Confident	96 Å²	96	42.1 Å²	42.1	51%	0.513	22%	0.217	S	C	.	.			trans	-90.2	131.1	179.1	-171.3	-23.3	0	0	0	111.3	F349 N353	F349-N351 PolarHBondContact O-N 3.47Å; N351-N353 PolarHBondContact ND2-ND2 2.84Å; N351-N353 PolarHBondContact O-N 2.95Å; N351-N353 VanDerWaalsContact O-N 3.08Å; N351-N353 WeakPolarHBondContact OD1-CB 3.4Å; N351-N353 PolarHBondContact OD1-N 2.73Å; N351-N353 PolarHBondContact OD1-ND2 2.71Å
352	L	69.9	Low	83.8	Confident	56 Å²	56	42.7 Å²	42.7	29%	0.293	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	2.6	177.2	-67.7	171.2	0	0	0	114.4	F349 E354 N361	F349-L352 HydrophobicContact CD1-CD2 3.79Å; F349-L352 HydrophobicContact CE1-CD2 4.37Å; L352-E354 PolarHBondContact O-N 3.32Å; L352-N361 HydrophobicContact CD2-CB 4.3Å
353	N	69.8	Low	83.7	Confident	65 Å²	65	40 Å²	40	35%	0.348	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-9.4	173.5	-74.9	-18.7	0	0	0	114.3	N351 W613	N351-N353 PolarHBondContact ND2-ND2 2.84Å; N351-N353 PolarHBondContact O-N 2.95Å; N351-N353 VanDerWaalsContact O-N 3.08Å; N351-N353 WeakPolarHBondContact OD1-CB 3.4Å; N351-N353 PolarHBondContact OD1-N 2.73Å; N351-N353 PolarHBondContact OD1-ND2 2.71Å; N353-W613 VanDerWaalsContact O-CZ2 3.31Å; N353-W613 WeakPolarHBondContact O-CZ2 3.2Å; N353-W613 PolarHBondContact O-NE1 3.29Å
354	E	79.4	Confident	83.5	Confident	87 Å²	87	41 Å²	41	41%	0.407	21%	0.212	S	C	.	.	S	Bend	trans	-87.1	130.2	174.1	-68.4	172.8	-137	0	0	111.6	L352 E356 K357 A358	L352-E354 PolarHBondContact O-N 3.32Å; E354-E356 PolarHBondContact O-N 3.3Å; E354-K357 HydrophobicContact CB-CB 4.29Å; E354-K357 HydrophobicContact CB-CD 4.22Å; E354-K357 HydrophobicContact CB-CG 4.13Å; E354-K357 PolarHBondContact O-N 3.09Å; E354-K357 IonicContact OE1-NZ 2.78Å; E354-K357 PolarHBondContact OE1-NZ 2.71Å; E354-K357 WeakPolarHBondContact OE2-CD 3.49Å; E354-K357 WeakPolarHBondContact OE2-CE 3.28Å; E354-K357 IonicContact OE2-NZ 2.77Å; E354-K357 PolarHBondContact OE2-NZ 2.72Å; E354-A358 PolarHBondContact O-N 2.82Å
355	L	84.2	Confident	83.1	Confident	9 Å²	9	42.5 Å²	42.5	5%	0.047	22%	0.218	C	C	.	.	H	α-helix	trans	-57.9	-46.4	-173.4	172.8	59.5	0	0	0	113.7	K357 A358 T359 T611 W613 F894	L355-K357 VanDerWaalsContact C-N 3.31Å; L355-K357 PolarHBondContact O-N 3.34Å; L355-A358 PolarHBondContact O-N 2.98Å; L355-T359 WeakPolarHBondContact O-CB 3.38Å; L355-T359 PolarHBondContact O-N 3.25Å; L355-T359 PolarHBondContact O-OG1 2.91Å; L355-T611 HydrophobicContact CD2-CG2 4.27Å; L355-W613 VanDerWaalsContact CA-CZ2 3.46Å; L355-W613 HydrophobicContact CB-CD2 4.12Å; L355-W613 HydrophobicContact CB-CE3 4.35Å; L355-W613 HydrophobicContact CB-CH2 4.01Å; L355-W613 HydrophobicContact CB-CZ2 3.74Å; L355-W613 HydrophobicContact CB-CZ3 4.3Å; L355-W613 HydrophobicContact CD1-CD2 4.5Å; L355-W613 HydrophobicContact CD1-CE3 3.88Å; L355-W613 HydrophobicContact CD1-CH2 3.78Å; L355-W613 HydrophobicContact CD1-CZ2 4.39Å; L355-W613 HydrophobicContact CD1-CZ3 3.49Å; L355-W613 VanDerWaalsContact CD1-CZ3 3.49Å; L355-W613 HydrophobicContact CG-CZ3 4.43Å; L355-F894 HydrophobicContact CD1-CE1 4.05Å; L355-F894 HydrophobicContact CD1-CE2 3.64Å; L355-F894 HydrophobicContact CD1-CZ 3.31Å; L355-F894 HydrophobicContact CD2-CE1 4.44Å; L355-F894 HydrophobicContact CD2-CZ 4.13Å; L355-F894 HydrophobicContact CG-CZ 4.32Å
356	E	84.8	Confident	82.9	Confident	64 Å²	64	43.7 Å²	43.7	30%	0.299	22%	0.222	S	C	.	.	H	α-helix	trans	-65.4	-38.4	-177.6	-67.7	-57.4	148	0	0	111.4	E354 T359 E360 S609	E354-E356 PolarHBondContact O-N 3.3Å; E356-T359 WeakPolarHBondContact O-CB 3.32Å; E356-T359 PolarHBondContact O-N 3.43Å; E356-E360 WeakPolarHBondContact O-CB 3.22Å; E356-E360 PolarHBondContact O-N 3.17Å; E356-S609 PolarHBondContact OE1-OG 3.48Å
357	K	84.6	Confident	82.9	Confident	38 Å²	38	40 Å²	40	17%	0.165	21%	0.206	C	C	.	.	H	α-helix	trans	-70.8	-43.5	177.6	-59.2	-169.8	-178.1	155	0	111.8	F349 E354 L355 T359 E360 N361	F349-K357 HydrophobicContact CD1-CB 3.88Å; F349-K357 HydrophobicContact CE1-CB 4.04Å; F349-K357 WeakPolarHBondContact CE1-O 3.37Å; F349-K357 HydrophobicContact CG-CB 4.48Å; F349-K357 HydrophobicContact CG-CD 4.49Å; F349-K357 WeakPolarHBondContact O-CD 3.45Å; F349-K357 VanDerWaalsContact O-CE 3.23Å; F349-K357 WeakPolarHBondContact O-CE 3.43Å; F349-K357 PolarHBondContact O-NZ 3.11Å; E354-K357 HydrophobicContact CB-CB 4.29Å; E354-K357 HydrophobicContact CB-CD 4.22Å; E354-K357 HydrophobicContact CB-CG 4.13Å; E354-K357 PolarHBondContact O-N 3.09Å; E354-K357 IonicContact OE1-NZ 2.78Å; E354-K357 PolarHBondContact OE1-NZ 2.71Å; E354-K357 WeakPolarHBondContact OE2-CD 3.49Å; E354-K357 WeakPolarHBondContact OE2-CE 3.28Å; E354-K357 IonicContact OE2-NZ 2.77Å; E354-K357 PolarHBondContact OE2-NZ 2.72Å; L355-K357 VanDerWaalsContact C-N 3.31Å; L355-K357 PolarHBondContact O-N 3.34Å; K357-T359 PolarHBondContact O-N 3.47Å; K357-E360 PolarHBondContact O-N 2.74Å; K357-N361 PolarHBondContact O-N 2.99Å
358	A	85.6	Confident	83.3	Confident	7 Å²	7	37.2 Å²	37.2	6%	0.058	19%	0.193	C	C	.	.	H	α-helix	trans	-59.3	-38.1	173.4	0	0	0	0	0	111.7	E354 L355 I362 W613 L893	E354-A358 PolarHBondContact O-N 2.82Å; L355-A358 PolarHBondContact O-N 2.98Å; A358-I362 PolarHBondContact O-N 3Å; A358-W613 HydrophobicContact CB-CH2 4.45Å; A358-L893 HydrophobicContact CB-CD1 3.89Å; A358-L893 HydrophobicContact CB-CD2 3.59Å; A358-L893 HydrophobicContact CB-CG 4.38Å
359	T	89.7	Confident	83.6	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-67.3	-45.8	175	-58.1	0	0	0	0	111.7	L355 E356 K357 N361 I362 L363 L463 Q465	L355-T359 WeakPolarHBondContact O-CB 3.38Å; L355-T359 PolarHBondContact O-N 3.25Å; L355-T359 PolarHBondContact O-OG1 2.91Å; E356-T359 WeakPolarHBondContact O-CB 3.32Å; E356-T359 PolarHBondContact O-N 3.43Å; K357-T359 PolarHBondContact O-N 3.47Å; T359-N361 VanDerWaalsContact C-N 3.28Å; T359-N361 PolarHBondContact O-N 2.91Å; T359-I362 WeakPolarHBondContact O-CB 3.42Å; T359-I362 PolarHBondContact O-N 3.49Å; T359-I362 VanDerWaalsContact O-N 3.17Å; T359-L363 HydrophobicContact CG2-CD1 4.47Å; T359-L363 WeakPolarHBondContact O-CG 3.46Å; T359-L363 PolarHBondContact O-N 3.3Å; T359-L463 HydrophobicContact CG2-CD1 3.68Å; T359-Q465 PolarHBondContact OG1-NE2 2.91Å
360	E	88.5	Confident	84.4	Confident	53 Å²	53	40 Å²	40	25%	0.248	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-36.6	178.4	-169.3	-174.9	175	0	0	111.3	Q347 F349 E356 K357 I362 L363 L364	Q347-E360 PolarHBondContact NE2-OE2 2.95Å; Q347-E360 PolarHBondContact OE1-OE1 3.14Å; F349-E360 HydrophobicContact CE1-CB 4.19Å; F349-E360 HydrophobicContact CE2-CG 4.27Å; F349-E360 VanDerWaalsContact CE2-OE2 3.28Å; F349-E360 WeakPolarHBondContact CE2-OE2 3.16Å; F349-E360 HydrophobicContact CZ-CB 3.6Å; F349-E360 VanDerWaalsContact CZ-CD 3.42Å; F349-E360 HydrophobicContact CZ-CG 3.61Å; F349-E360 VanDerWaalsContact CZ-OE2 3.31Å; F349-E360 WeakPolarHBondContact CZ-OE2 3.28Å; E356-E360 WeakPolarHBondContact O-CB 3.22Å; E356-E360 PolarHBondContact O-N 3.17Å; K357-E360 PolarHBondContact O-N 2.74Å; E360-I362 PolarHBondContact O-N 3.3Å; E360-L363 PolarHBondContact O-N 2.89Å; E360-L363 VanDerWaalsContact O-N 3.16Å; E360-L364 HydrophobicContact CG-CD1 4.43Å; E360-L364 HydrophobicContact CG-CG 4.49Å; E360-L364 WeakPolarHBondContact O-CG 3.44Å; E360-L364 PolarHBondContact O-N 3.48Å
361	N	87.9	Confident	85.5	Confident	49 Å²	49	42 Å²	42	26%	0.262	22%	0.215	S	C	.	.	H	α-helix	trans	-56.7	-48.2	172.2	-179.2	26.5	0	0	0	111.8	L267 F349 L352 K357 T359 L363 L364 E365	L267-N361 HydrophobicContact CD1-CB 3.62Å; L267-N361 WeakPolarHBondContact CD1-OD1 3.41Å; F349-N361 HydrophobicContact CE1-CB 4.16Å; L352-N361 HydrophobicContact CD2-CB 4.3Å; K357-N361 PolarHBondContact O-N 2.99Å; T359-N361 VanDerWaalsContact C-N 3.28Å; T359-N361 PolarHBondContact O-N 2.91Å; N361-L363 VanDerWaalsContact C-N 3.3Å; N361-L363 PolarHBondContact O-N 2.95Å; N361-L364 PolarHBondContact O-N 3.07Å; N361-E365 WeakPolarHBondContact O-CB 3.33Å; N361-E365 PolarHBondContact O-N 3.26Å
362	I	90.9	Very high	86.8	Confident	13 Å²	13	46 Å²	46	7%	0.067	23%	0.231	C	C	.	.	H	α-helix	trans	-57.9	-45.4	176.1	-66.6	167.9	0	0	0	110.4	A358 T359 E360 L364 E365 Y366 A886 A889 L893	A358-I362 PolarHBondContact O-N 3Å; T359-I362 WeakPolarHBondContact O-CB 3.42Å; T359-I362 PolarHBondContact O-N 3.49Å; T359-I362 VanDerWaalsContact O-N 3.17Å; E360-I362 PolarHBondContact O-N 3.3Å; I362-L364 PolarHBondContact O-N 2.91Å; I362-E365 PolarHBondContact O-N 2.88Å; I362-Y366 HydrophobicContact CG2-CD2 3.91Å; I362-Y366 HydrophobicContact CG2-CE2 4.07Å; I362-Y366 WeakPolarHBondContact O-CD2 3.43Å; I362-Y366 PolarHBondContact O-N 3.23Å; I362-A886 HydrophobicContact CG2-CB 4.08Å; I362-A889 HydrophobicContact CD1-CB 4.27Å; I362-A889 HydrophobicContact CG1-CB 4.28Å; I362-A889 HydrophobicContact CG2-CB 3.95Å; I362-L893 HydrophobicContact CD1-CB 4.1Å; I362-L893 HydrophobicContact CD1-CD2 3.76Å
363	L	92.9	Very high	88	Confident	10 Å²	10	44.6 Å²	44.6	5%	0.052	22%	0.222	C	C	.	.	H	α-helix	trans	-62.8	-43	-179.7	-66.2	179.8	0	0	0	112.2	T359 E360 N361 Y366 G367 I368 D370 L463 I468	T359-L363 HydrophobicContact CG2-CD1 4.47Å; T359-L363 WeakPolarHBondContact O-CG 3.46Å; T359-L363 PolarHBondContact O-N 3.3Å; E360-L363 PolarHBondContact O-N 2.89Å; E360-L363 VanDerWaalsContact O-N 3.16Å; N361-L363 VanDerWaalsContact C-N 3.3Å; N361-L363 PolarHBondContact O-N 2.95Å; L363-Y366 PolarHBondContact O-N 3.38Å; L363-G367 PolarHBondContact O-N 2.79Å; L363-I368 HydrophobicContact CD2-CB 3.9Å; L363-I368 HydrophobicContact CD2-CG2 3.73Å; L363-I368 PolarHBondContact O-N 3.08Å; L363-D370 HydrophobicContact CD1-CB 4.12Å; L363-L463 HydrophobicContact CD2-CD1 4.17Å; L363-I468 HydrophobicContact CD1-CD1 3.87Å; L363-I468 HydrophobicContact CD2-CD1 3.51Å; L363-I468 HydrophobicContact CG-CD1 4.35Å
364	L	89.7	Confident	89.3	Confident	21 Å²	21	44.2 Å²	44.2	11%	0.11	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-47	175.7	-70.5	174.4	0	0	0	111.6	K265 L267 V328 F349 E360 N361 I362 Y366 G367	K265-L364 HydrophobicContact CB-CD2 4.12Å; K265-L364 HydrophobicContact CD-CD2 3.68Å; K265-L364 HydrophobicContact CG-CD2 3.68Å; L267-L364 HydrophobicContact CD1-CD1 4.24Å; L267-L364 HydrophobicContact CG-CD1 4.49Å; V328-L364 HydrophobicContact CG1-CD1 3.94Å; V328-L364 HydrophobicContact CG2-CD1 3.94Å; F349-L364 HydrophobicContact CZ-CD1 4.18Å; E360-L364 HydrophobicContact CG-CD1 4.43Å; E360-L364 HydrophobicContact CG-CG 4.49Å; E360-L364 WeakPolarHBondContact O-CG 3.44Å; E360-L364 PolarHBondContact O-N 3.48Å; N361-L364 PolarHBondContact O-N 3.07Å; I362-L364 PolarHBondContact O-N 2.91Å; L364-Y366 VanDerWaalsContact C-N 3.26Å; L364-Y366 PolarHBondContact O-N 2.57Å; L364-G367 PolarHBondContact O-N 2.64Å
365	E	87.3	Confident	90.1	Very high	56 Å²	56	45.8 Å²	45.8	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-57.2	-39.2	-178.9	-168.8	-173.3	173.8	0	0	112.7	R300 N361 I362	R300-E365 VanDerWaalsContact NH2-CG 3.26Å; R300-E365 IonicContact NH2-OE1 2.73Å; R300-E365 PolarHBondContact NH2-OE1 3.3Å; N361-E365 WeakPolarHBondContact O-CB 3.33Å; N361-E365 PolarHBondContact O-N 3.26Å; I362-E365 PolarHBondContact O-N 2.88Å
366	Y	90.4	Very high	90.6	Very high	42 Å²	42	51.4 Å²	51.4	17%	0.165	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	3.6	179.8	-65.2	-67.3	0	0	0	113.8	I362 L363 L364 I368 R885 A886 A889	I362-Y366 HydrophobicContact CG2-CD2 3.91Å; I362-Y366 HydrophobicContact CG2-CE2 4.07Å; I362-Y366 WeakPolarHBondContact O-CD2 3.43Å; I362-Y366 PolarHBondContact O-N 3.23Å; L363-Y366 PolarHBondContact O-N 3.38Å; L364-Y366 VanDerWaalsContact C-N 3.26Å; L364-Y366 PolarHBondContact O-N 2.57Å; Y366-I368 VanDerWaalsContact C-N 3.32Å; Y366-I368 PolarHBondContact O-N 2.67Å; Y366-R885 HydrophobicContact CD1-CB 3.91Å; Y366-R885 HydrophobicContact CE1-CB 3.34Å; Y366-R885 HydrophobicContact CE1-CG 4.25Å; Y366-R885 HydrophobicContact CE2-CB 4.43Å; Y366-A886 HydrophobicContact CD2-CB 3.67Å; Y366-A886 HydrophobicContact CE2-CB 4.37Å; Y366-A886 HydrophobicContact CG-CB 4.1Å; Y366-A889 HydrophobicContact CE2-CB 3.87Å
367	G	89.2	Confident	91.1	Very high	5 Å²	5	49.6 Å²	49.6	5%	0.052	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	38.8	179.7	0	0	0	0	0	112.9	L363 L364 R879	L363-G367 PolarHBondContact O-N 2.79Å; L364-G367 PolarHBondContact O-N 2.64Å; G367-R879 PolarHBondContact O-NH1 3.45Å
368	I	92.2	Very high	91.6	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.051	27%	0.267	C	S	.	.			trans	-103.3	133.4	178.7	-61.5	168.4	0	0	0	108.1	L363 Y366 V461 I468 A886	L363-I368 HydrophobicContact CD2-CB 3.9Å; L363-I368 HydrophobicContact CD2-CG2 3.73Å; L363-I368 PolarHBondContact O-N 3.08Å; Y366-I368 VanDerWaalsContact C-N 3.32Å; Y366-I368 PolarHBondContact O-N 2.67Å; I368-V461 HydrophobicContact CD1-CG1 4.02Å; I368-V461 HydrophobicContact CD1-CG2 4.07Å; I368-V461 HydrophobicContact CG2-CG2 3.92Å; I368-I468 HydrophobicContact CG2-CD1 3.74Å; I368-A886 HydrophobicContact CD1-CB 3.43Å; I368-A886 VanDerWaalsContact CD1-CB 3.43Å
369	T	89.4	Confident	91.9	Very high	57 Å²	57	58 Å²	58	35%	0.35	30%	0.299	S	S	.	.			trans	-110.7	135.5	178.5	63.3	0	0	0	0	110.5	D371	T369-D371 WeakPolarHBondContact CB-OD1 3.38Å; T369-D371 PolarHBondContact OG1-OD1 2.93Å
370	D	91.6	Very high	91.8	Very high	75 Å²	75	61.8 Å²	61.8	40%	0.401	34%	0.338	S	S	.	.			trans	-108.1	46.4	175.5	-167.6	19.7	0	0	0	111	L363 K466 I468	L363-D370 HydrophobicContact CD1-CB 4.12Å; D370-K466 WeakPolarHBondContact OD2-CE 3.35Å; D370-K466 IonicContact OD2-NZ 3.5Å; D370-K466 PolarHBondContact OD2-NZ 2.88Å; D370-I468 HydrophobicContact CB-CD1 3.78Å; D370-I468 HydrophobicContact CB-CG1 4.13Å
371	D	91.2	Very high	91.9	Very high	67 Å²	67	60.8 Å²	60.8	36%	0.358	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-87	151.1	178.8	55.4	-40	0	0	0	111.7	T369 R453 R457	T369-D371 WeakPolarHBondContact CB-OD1 3.38Å; T369-D371 PolarHBondContact OG1-OD1 2.93Å; D371-R453 IonicContact OD1-CZ 3.56Å; D371-R453 IonicContact OD1-NH1 2.74Å; D371-R453 IonicContact OD1-NH2 2.67Å; D371-R453 PolarHBondContact OD1-NH2 2.98Å; D371-R453 IonicContact OD2-CZ 3.25Å; D371-R453 IonicContact OD2-NH1 2.64Å; D371-R453 PolarHBondContact OD2-NH1 3.19Å; D371-R453 IonicContact OD2-NH2 3.52Å; D371-R453 PolarHBondContact OD2-NH2 3.35Å; D371-R457 PolarHBondContact O-NH2 2.89Å; D371-R457 IonicContact OD1-NH2 3.55Å; D371-R457 PolarHBondContact OD1-NH2 3.37Å
372	Q	93.4	Very high	92.1	Very high	179 Å²	179	59.8 Å²	59.8	84%	0.836	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-69.7	153	177	-64.4	-174.1	1.3	0	0	111.1
373	F	95.3	Very high	92	Very high	27 Å²	27	65 Å²	65	12%	0.118	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-66.8	136.8	172.7	-67.4	-86.2	0	0	0	110.4	E377 L378 L450 R453 R457 P469 L471 P472	F373-E377 VanDerWaalsContact CA-OE2 3.23Å; F373-E377 WeakPolarHBondContact CA-OE2 3.2Å; F373-E377 HydrophobicContact CB-CB 4.45Å; F373-E377 HydrophobicContact CD1-CB 4.48Å; F373-L378 HydrophobicContact CB-CD1 4.31Å; F373-L378 HydrophobicContact CB-CD2 3.84Å; F373-L378 HydrophobicContact CB-CG 3.96Å; F373-L378 HydrophobicContact CG-CD2 4.48Å; F373-L450 HydrophobicContact CE1-CD1 4.47Å; F373-R453 HydrophobicContact CD1-CG 3.93Å; F373-R453 HydrophobicContact CE1-CG 3.76Å; F373-R457 VanDerWaalsContact CZ-NH1 3.31Å; F373-P469 HydrophobicContact CE2-CG 4.4Å; F373-L471 VanDerWaalsContact CZ-C 3.44Å; F373-P472 HydrophobicContact CD1-CG 3.86Å; F373-P472 HydrophobicContact CD2-CB 4.12Å; F373-P472 HydrophobicContact CD2-CG 3.92Å; F373-P472 HydrophobicContact CE1-CG 3.96Å; F373-P472 HydrophobicContact CE2-CB 4.22Å; F373-P472 HydrophobicContact CE2-CG 4.04Å; F373-P472 HydrophobicContact CG-CB 4.46Å; F373-P472 HydrophobicContact CG-CG 3.84Å; F373-P472 HydrophobicContact CZ-CG 4.05Å
374	T	96.5	Very high	92	Very high	58 Å²	58	66.1 Å²	66.1	36%	0.356	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-74.5	158.9	-178.4	69.3	0	0	0	0	111.5	E376 E377 L378	T374-E376 PolarHBondContact O-N 3.35Å; T374-E377 PolarHBondContact N-OE2 3.4Å; T374-E377 WeakPolarHBondContact O-CB 3.34Å; T374-E377 PolarHBondContact O-N 2.94Å; T374-E377 VanDerWaalsContact OG1-CG 3.27Å; T374-E377 WeakPolarHBondContact OG1-CG 3.5Å; T374-E377 PolarHBondContact OG1-N 3.48Å; T374-L378 WeakPolarHBondContact O-CG 3.42Å; T374-L378 PolarHBondContact O-N 2.8Å
375	P	96.4	Very high	92.1	Very high	119 Å²	119	66.9 Å²	66.9	77%	0.773	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.9	175.1	-26.1	35.4	0	0	0	113.8	L378 Q379	P375-L378 PolarHBondContact O-N 3.25Å; P375-Q379 PolarHBondContact O-N 2.95Å; P375-Q379 VanDerWaalsContact O-N 3.15Å
376	E	95.8	Very high	92.3	Very high	128 Å²	128	71.3 Å²	71.3	60%	0.598	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-37.8	175.7	-170.4	-178.7	174.5	0	0	111.6	T374 L378 Q379 P449	T374-E376 PolarHBondContact O-N 3.35Å; E376-L378 VanDerWaalsContact C-N 3.33Å; E376-Q379 VanDerWaalsContact O-CB 3.29Å; E376-Q379 WeakPolarHBondContact O-CB 3.46Å; E376-Q379 PolarHBondContact O-N 3.44Å; E376-P449 HydrophobicContact CG-CB 3.98Å; E376-P449 HydrophobicContact CG-CG 3.76Å
377	E	95.1	Very high	92.3	Very high	25 Å²	25	74.9 Å²	74.9	12%	0.117	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-27.6	175.1	-69.4	164.6	173.5	0	0	113	F373 T374 Q379 P449 L450 R453	F373-E377 VanDerWaalsContact CA-OE2 3.23Å; F373-E377 WeakPolarHBondContact CA-OE2 3.2Å; F373-E377 HydrophobicContact CB-CB 4.45Å; F373-E377 HydrophobicContact CD1-CB 4.48Å; T374-E377 PolarHBondContact N-OE2 3.4Å; T374-E377 WeakPolarHBondContact O-CB 3.34Å; T374-E377 PolarHBondContact O-N 2.94Å; T374-E377 VanDerWaalsContact OG1-CG 3.27Å; T374-E377 WeakPolarHBondContact OG1-CG 3.5Å; T374-E377 PolarHBondContact OG1-N 3.48Å; E377-Q379 VanDerWaalsContact C-N 3.35Å; E377-P449 HydrophobicContact CG-CB 4.31Å; E377-L450 WeakPolarHBondContact O-CB 3.44Å; E377-R453 HydrophobicContact CG-CB 4.12Å; E377-R453 HydrophobicContact CG-CG 4.39Å; E377-R453 VanDerWaalsContact OE1-CD 3.28Å; E377-R453 WeakPolarHBondContact OE1-CD 3.41Å; E377-R453 WeakPolarHBondContact OE1-CG 3.34Å; E377-R453 IonicContact OE1-NE 3.26Å
378	L	95.4	Very high	92.5	Very high	70 Å²	70	77.3 Å²	77.3	37%	0.366	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-3.7	176.9	-61.8	176.6	0	0	0	112.9	F373 T374 P375 E376 G380 L381 P472	F373-L378 HydrophobicContact CB-CD1 4.31Å; F373-L378 HydrophobicContact CB-CD2 3.84Å; F373-L378 HydrophobicContact CB-CG 3.96Å; F373-L378 HydrophobicContact CG-CD2 4.48Å; T374-L378 WeakPolarHBondContact O-CG 3.42Å; T374-L378 PolarHBondContact O-N 2.8Å; P375-L378 PolarHBondContact O-N 3.25Å; E376-L378 VanDerWaalsContact C-N 3.33Å; L378-G380 PolarHBondContact O-N 3.39Å; L378-L381 HydrophobicContact CD2-CD1 4.19Å; L378-L381 WeakPolarHBondContact O-CB 3.42Å; L378-L381 PolarHBondContact O-N 3.39Å; L378-L381 VanDerWaalsContact O-N 3.12Å; L378-P472 HydrophobicContact CD2-CB 3.79Å; L378-P472 HydrophobicContact CD2-CG 3.67Å
379	Q	92.1	Very high	92.5	Very high	153 Å²	153	84.6 Å²	84.6	72%	0.715	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	127.4	-176	-173.2	178.2	-0	0	0	111.4	P375 E376 E377 L381	P375-Q379 PolarHBondContact O-N 2.95Å; P375-Q379 VanDerWaalsContact O-N 3.15Å; E376-Q379 VanDerWaalsContact O-CB 3.29Å; E376-Q379 WeakPolarHBondContact O-CB 3.46Å; E376-Q379 PolarHBondContact O-N 3.44Å; E377-Q379 VanDerWaalsContact C-N 3.35Å; Q379-L381 VanDerWaalsContact C-N 3.27Å; Q379-L381 PolarHBondContact O-N 3.32Å
380	G	85.6	Confident	92.8	Very high	81 Å²	81	83 Å²	83	84%	0.835	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-5.6	179.2	0	0	0	0	0	114.7	L378	L378-G380 PolarHBondContact O-N 3.39Å
381	L	92.3	Very high	92.8	Very high	32 Å²	32	81.7 Å²	81.7	17%	0.168	44%	0.444	C	S	.	.	S	Bend	trans	-80.9	147	168.8	-59.5	-175.2	0	0	0	110.4	L378 Q379 L450 P472 I474 L475	L378-L381 HydrophobicContact CD2-CD1 4.19Å; L378-L381 WeakPolarHBondContact O-CB 3.42Å; L378-L381 PolarHBondContact O-N 3.39Å; L378-L381 VanDerWaalsContact O-N 3.12Å; Q379-L381 VanDerWaalsContact C-N 3.27Å; Q379-L381 PolarHBondContact O-N 3.32Å; L381-L450 HydrophobicContact CD1-CD2 4.03Å; L381-L450 HydrophobicContact CD2-CD2 4.38Å; L381-P472 HydrophobicContact CD1-CB 4.48Å; L381-P472 HydrophobicContact CD1-CG 4.18Å; L381-I474 HydrophobicContact CD1-CG2 4.04Å; L381-L475 HydrophobicContact CD1-CD1 4.13Å; L381-L475 HydrophobicContact CD1-CG 4.18Å; L381-L475 HydrophobicContact CD2-CD1 4.13Å; L381-L475 HydrophobicContact CD2-CD2 4.05Å; L381-L475 HydrophobicContact CD2-CG 4.32Å
382	P	91.1	Very high	93	Very high	28 Å²	28	87.1 Å²	87.1	18%	0.182	46%	0.464	C	S	.	.			trans	-65.1	151.7	170.9	30.6	-36.4	0	0	0	110.4	E387 F388 I474 L479	P382-E387 HydrophobicContact CB-CB 3.85Å; P382-F388 HydrophobicContact CG-CB 4.13Å; P382-I474 HydrophobicContact CG-CG1 4.14Å; P382-L479 HydrophobicContact CG-CD1 3.49Å; P382-L479 VanDerWaalsContact CG-CD1 3.49Å
383	T	89.5	Confident	92.9	Very high	121 Å²	121	81.6 Å²	81.6	74%	0.742	44%	0.44	S	S	*	.	S	Bend	trans	-83.5	-25.8	177.5	65	0	0	0	0	112.3	E387	T383-E387 PolarHBondContact N-OE2 2.99Å; T383-E387 VanDerWaalsContact OG1-CD 3.26Å; T383-E387 PolarHBondContact OG1-OE1 2.76Å; T383-E387 PolarHBondContact OG1-OE2 3.4Å
384	S	93.3	Very high	92.8	Very high	35 Å²	35	81 Å²	81	25%	0.245	44%	0.437	C	S	.	.	S	Bend	trans	-134.5	156.1	172.5	82.5	0	0	0	0	111.9	Q386 E387	S384-Q386 PolarHBondContact O-N 3.36Å; S384-Q386 PolarHBondContact OG-OE1 2.93Å; S384-E387 PolarHBondContact N-OE2 3.07Å; S384-E387 PolarHBondContact O-N 2.98Å
385	P	91.3	Very high	92.7	Very high	36 Å²	36	81.7 Å²	81.7	23%	0.234	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-58.2	-32.1	179.5	-25.6	35	0	0	0	113.6	E387 F388 I474 H478	P385-E387 VanDerWaalsContact C-N 3.26Å; P385-E387 PolarHBondContact O-N 3.24Å; P385-F388 PolarHBondContact O-N 3.3Å; P385-I474 HydrophobicContact CG-CD1 3.87Å; P385-H478 HydrophobicContact CB-CB 4.17Å; P385-H478 HydrophobicContact CG-CB 3.82Å
386	Q	91	Very high	92.5	Very high	150 Å²	150	83.1 Å²	83.1	70%	0.701	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-71.6	-19.1	-176	-59	80.6	14.2	0	0	113.4	S384 F388	S384-Q386 PolarHBondContact O-N 3.36Å; S384-Q386 PolarHBondContact OG-OE1 2.93Å; Q386-F388 VanDerWaalsContact C-N 3.29Å
387	E	91.2	Very high	92.3	Very high	116 Å²	116	83.4 Å²	83.4	54%	0.542	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-73.6	-23.5	177.4	-69.2	178	163.3	0	0	112.3	P382 T383 S384 P385	P382-E387 HydrophobicContact CB-CB 3.85Å; T383-E387 PolarHBondContact N-OE2 2.99Å; T383-E387 VanDerWaalsContact OG1-CD 3.26Å; T383-E387 PolarHBondContact OG1-OE1 2.76Å; T383-E387 PolarHBondContact OG1-OE2 3.4Å; S384-E387 PolarHBondContact N-OE2 3.07Å; S384-E387 PolarHBondContact O-N 2.98Å; P385-E387 VanDerWaalsContact C-N 3.26Å; P385-E387 PolarHBondContact O-N 3.24Å
388	F	92.7	Very high	92.2	Very high	57 Å²	57	82.9 Å²	82.9	25%	0.25	42%	0.423	C	S	.	.			trans	-90	124	179	-179.1	-103.3	0	0	0	111.2	P382 P385 Q386 I390 Y442 F443 L479	P382-F388 HydrophobicContact CG-CB 4.13Å; P385-F388 PolarHBondContact O-N 3.3Å; Q386-F388 VanDerWaalsContact C-N 3.29Å; F388-I390 HydrophobicContact CE1-CG1 3.84Å; F388-I390 HydrophobicContact CZ-CG1 4.37Å; F388-Y442 HydrophobicContact CE2-CE1 4.24Å; F388-Y442 AromaticContact CZ-CE1 3.96Å; F388-Y442 HydrophobicContact CZ-CE1 3.96Å; F388-F443 HydrophobicContact CD1-CE1 4.42Å; F388-F443 HydrophobicContact CD2-CE1 4.39Å; F388-F443 AromaticContact CE1-CE1 3.85Å; F388-F443 HydrophobicContact CE1-CE1 3.85Å; F388-F443 AromaticContact CE1-CZ 3.87Å; F388-F443 HydrophobicContact CE1-CZ 3.87Å; F388-F443 AromaticContact CE2-CE1 3.83Å; F388-F443 HydrophobicContact CE2-CE1 3.83Å; F388-F443 AromaticContact CZ-CE1 3.53Å; F388-F443 HydrophobicContact CZ-CE1 3.53Å; F388-F443 AromaticContact CZ-CZ 3.82Å; F388-F443 HydrophobicContact CZ-CZ 3.82Å; F388-L479 HydrophobicContact CB-CD1 4.19Å; F388-L479 HydrophobicContact CB-CD2 3.8Å; F388-L479 HydrophobicContact CD1-CD1 4.47Å; F388-L479 HydrophobicContact CD1-CD2 3.83Å; F388-L479 HydrophobicContact CG-CD1 4.19Å; F388-L479 HydrophobicContact CG-CD2 4.06Å
389	Q	92.5	Very high	92.3	Very high	162 Å²	162	84.2 Å²	84.2	76%	0.757	42%	0.423	S	S	*	.			trans	-119.1	135.4	166.1	-66	-176.5	6	0	0	108.6	P391	Q389-P391 WeakPolarHBondContact O-CD 3.48Å
390	I	94.7	Very high	92.6	Very high	24 Å²	24	79.9 Å²	79.9	12%	0.123	41%	0.405	C	S	.	.			trans	-60.3	123.5	175.2	-64.3	173.3	0	0	0	108.1	F388 K392 E394 Y395 D487 L489 I512	F388-I390 HydrophobicContact CE1-CG1 3.84Å; F388-I390 HydrophobicContact CZ-CG1 4.37Å; I390-K392 PolarHBondContact O-N 3.39Å; I390-E394 HydrophobicContact CG2-CB 3.81Å; I390-E394 HydrophobicContact CG2-CG 4.45Å; I390-Y395 HydrophobicContact CB-CE2 3.75Å; I390-Y395 HydrophobicContact CG2-CD2 4.03Å; I390-Y395 HydrophobicContact CG2-CE2 3.52Å; I390-D487 HydrophobicContact CD1-CB 4.06Å; I390-L489 HydrophobicContact CD1-CD2 4.04Å; I390-L489 HydrophobicContact CD1-CG 4.18Å; I390-L489 HydrophobicContact CG1-CD2 4.38Å; I390-L489 HydrophobicContact CG1-CG 4.35Å; I390-L489 HydrophobicContact CG2-CD2 3.82Å; I390-I512 HydrophobicContact CD1-CD1 3.96Å; I390-I512 HydrophobicContact CG2-CD1 4.34Å
391	P	93.3	Very high	93.2	Very high	48 Å²	48	76.1 Å²	76.1	31%	0.312	37%	0.366	S	S	.	.			trans	-58.4	139.5	178.5	-26	35.7	0	0	0	111.5	Q389 I393 E394 Y442	Q389-P391 WeakPolarHBondContact O-CD 3.48Å; P391-I393 HydrophobicContact CB-CG2 4.05Å; P391-I393 PolarHBondContact O-N 3.46Å; P391-I393 VanDerWaalsContact O-N 3.1Å; P391-E394 HydrophobicContact CB-CG 4.33Å; P391-E394 HydrophobicContact CG-CG 4.46Å; P391-E394 WeakPolarHBondContact O-CB 3.24Å; P391-E394 PolarHBondContact O-N 3.03Å; P391-Y442 WeakPolarHBondContact CD-OH 3.24Å; P391-Y442 WeakPolarHBondContact CG-OH 3.38Å
392	K	94.2	Very high	93.4	Very high	180 Å²	180	78 Å²	78	78%	0.783	37%	0.37	S	S	*	.	H	α-helix	trans	-52.7	-37.5	-178.4	-70.4	-172.5	178.2	-176.7	0	113.4	I390 E394 Y395	I390-K392 PolarHBondContact O-N 3.39Å; K392-E394 PolarHBondContact O-N 3.25Å; K392-Y395 WeakPolarHBondContact O-CB 3.22Å; K392-Y395 PolarHBondContact O-N 3.46Å; K392-Y395 VanDerWaalsContact O-N 3.08Å
393	I	91.8	Very high	93.7	Very high	64 Å²	64	80.8 Å²	80.8	33%	0.328	39%	0.391	S	S	.	.	H	α-helix	trans	-61	-28.8	178.8	-168.1	60.9	0	0	0	113.2	P391 Y395 E396 R397	P391-I393 HydrophobicContact CB-CG2 4.05Å; P391-I393 PolarHBondContact O-N 3.46Å; P391-I393 VanDerWaalsContact O-N 3.1Å; I393-Y395 VanDerWaalsContact C-N 3.3Å; I393-Y395 PolarHBondContact O-N 3.06Å; I393-E396 WeakPolarHBondContact CD1-OE2 3.44Å; I393-E396 PolarHBondContact O-N 3.19Å; I393-R397 HydrophobicContact CD1-CG 4.28Å; I393-R397 HydrophobicContact CG1-CG 4.29Å; I393-R397 PolarHBondContact O-N 3.4Å
394	E	93.2	Very high	94	Very high	13 Å²	13	77 Å²	77	6%	0.061	37%	0.365	C	S	.	.	H	α-helix	trans	-70	-29.8	177.7	-66.3	-64.7	117.6	0	0	111.4	I390 P391 K392 E396 R398 Y442 L489	I390-E394 HydrophobicContact CG2-CB 3.81Å; I390-E394 HydrophobicContact CG2-CG 4.45Å; P391-E394 HydrophobicContact CB-CG 4.33Å; P391-E394 HydrophobicContact CG-CG 4.46Å; P391-E394 WeakPolarHBondContact O-CB 3.24Å; P391-E394 PolarHBondContact O-N 3.03Å; K392-E394 PolarHBondContact O-N 3.25Å; E394-E396 VanDerWaalsContact C-N 3.28Å; E394-E396 PolarHBondContact O-N 2.81Å; E394-R398 WeakPolarHBondContact O-CB 3.2Å; E394-R398 VanDerWaalsContact O-CG 3.25Å; E394-R398 WeakPolarHBondContact O-CG 3.37Å; E394-R398 PolarHBondContact O-N 2.98Å; E394-R398 IonicContact OE2-CZ 3.28Å; E394-R398 VanDerWaalsContact OE2-CZ 3.28Å; E394-R398 IonicContact OE2-NE 3.35Å; E394-R398 PolarHBondContact OE2-NE 3.45Å; E394-R398 IonicContact OE2-NH2 2.68Å; E394-R398 PolarHBondContact OE2-NH2 3.24Å; E394-Y442 HydrophobicContact CG-CE2 4.15Å; E394-L489 HydrophobicContact CB-CD2 4.32Å
395	Y	95	Very high	94.2	Very high	73 Å²	73	76.2 Å²	76.2	29%	0.286	36%	0.359	S	S	.	.	H	α-helix	trans	-68.8	-28	173.3	-67.7	-90.5	0	0	0	112.5	I390 K392 I393 D487 I512	I390-Y395 HydrophobicContact CB-CE2 3.75Å; I390-Y395 HydrophobicContact CG2-CD2 4.03Å; I390-Y395 HydrophobicContact CG2-CE2 3.52Å; K392-Y395 WeakPolarHBondContact O-CB 3.22Å; K392-Y395 PolarHBondContact O-N 3.46Å; K392-Y395 VanDerWaalsContact O-N 3.08Å; I393-Y395 VanDerWaalsContact C-N 3.3Å; I393-Y395 PolarHBondContact O-N 3.06Å; Y395-D487 WeakPolarHBondContact CE1-OD2 3.45Å; Y395-D487 PolarHBondContact OH-OD2 2.74Å; Y395-I512 HydrophobicContact CD1-CD1 3.47Å; Y395-I512 VanDerWaalsContact CD1-CD1 3.47Å; Y395-I512 HydrophobicContact CE1-CD1 3.17Å; Y395-I512 HydrophobicContact CE2-CD1 4.42Å; Y395-I512 HydrophobicContact CG-CD1 4.22Å
396	E	92.1	Very high	94.5	Very high	149 Å²	149	74.5 Å²	74.5	70%	0.696	35%	0.348	S	S	*	.	H	α-helix	trans	-84.9	-37.1	-179	-64.8	173.5	-174.9	0	0	112.1	I393 E394	I393-E396 WeakPolarHBondContact CD1-OE2 3.44Å; I393-E396 PolarHBondContact O-N 3.19Å; E394-E396 VanDerWaalsContact C-N 3.28Å; E394-E396 PolarHBondContact O-N 2.81Å
397	R	90.3	Very high	94.8	Very high	134 Å²	134	67.4 Å²	67.4	51%	0.506	32%	0.315	S	S	.	.	H	α-helix	trans	-89.1	-22.3	-174.3	-69.3	-177.7	175.1	169.9	-3.9	114.2	I393	I393-R397 HydrophobicContact CD1-CG 4.28Å; I393-R397 HydrophobicContact CG1-CG 4.29Å; I393-R397 PolarHBondContact O-N 3.4Å
398	R	94.5	Very high	95.2	Very high	14 Å²	14	62 Å²	62	5%	0.053	29%	0.289	C	S	.	.	S	Bend	trans	-94.8	151.6	-179	-65.8	-177.7	175.1	-114.1	1.8	111.2	E394 D400 D439 A490 R510 S511	E394-R398 WeakPolarHBondContact O-CB 3.2Å; E394-R398 VanDerWaalsContact O-CG 3.25Å; E394-R398 WeakPolarHBondContact O-CG 3.37Å; E394-R398 PolarHBondContact O-N 2.98Å; E394-R398 IonicContact OE2-CZ 3.28Å; E394-R398 VanDerWaalsContact OE2-CZ 3.28Å; E394-R398 IonicContact OE2-NE 3.35Å; E394-R398 PolarHBondContact OE2-NE 3.45Å; E394-R398 IonicContact OE2-NH2 2.68Å; E394-R398 PolarHBondContact OE2-NH2 3.24Å; R398-D400 PolarHBondContact O-N 3.45Å; R398-D439 IonicContact CZ-OD2 2.9Å; R398-D439 IonicContact NH1-OD2 3.01Å; R398-D439 PolarHBondContact NH1-OD2 3.5Å; R398-D439 IonicContact NH2-OD2 2.83Å; R398-D439 PolarHBondContact NH2-OD2 3.44Å; R398-A490 PolarHBondContact NH1-O 3.29Å; R398-R510 HydrophobicContact CG-CB 4.14Å; R398-S511 WeakPolarHBondContact CD-O 3.48Å; R398-S511 PolarHBondContact NH1-O 3.41Å
399	R	96.4	Very high	95.4	Very high	98 Å²	98	59.3 Å²	59.3	37%	0.37	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	127.4	171.4	-169.8	165.6	-177.1	165.4	2.1	110.1	F401 W507 R510 S511 I512	R399-F401 HydrophobicContact CB-CE2 4.07Å; R399-F401 VanDerWaalsContact CD-CZ 3.46Å; R399-F401 HydrophobicContact CG-CD2 4.36Å; R399-F401 HydrophobicContact CG-CE1 4.48Å; R399-F401 HydrophobicContact CG-CE2 3.72Å; R399-F401 HydrophobicContact CG-CZ 3.79Å; R399-W507 HydrophobicContact CB-CH2 3.76Å; R399-W507 HydrophobicContact CB-CZ2 4.17Å; R399-W507 HydrophobicContact CG-CH2 4.33Å; R399-R510 PolarHBondContact N-O 2.99Å; R399-R510 VanDerWaalsContact N-O 3.11Å; R399-S511 CarbonylContact O-C 3.59Å; R399-S511 WeakPolarHBondContact O-CA 3.46Å; R399-S511 WeakPolarHBondContact O-CB 3.37Å; R399-I512 PolarHBondContact O-N 3.11Å
400	D	97.9	Very high	95.7	Very high	63 Å²	63	52.1 Å²	52.1	34%	0.337	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117.5	-177.3	-167.1	-7.2	0	0	0	111.6	R398 R402 I512	R398-D400 PolarHBondContact O-N 3.45Å; D400-R402 VanDerWaalsContact OD1-CB 3.23Å; D400-R402 WeakPolarHBondContact OD1-CB 3.28Å; D400-R402 WeakPolarHBondContact OD1-CG 3.47Å; D400-R402 IonicContact OD1-CZ 3.83Å; D400-R402 PolarHBondContact OD1-N 3.46Å; D400-R402 IonicContact OD1-NE 3.93Å; D400-R402 PolarHBondContact OD1-NE 3.48Å; D400-R402 IonicContact OD2-CZ 2.95Å; D400-R402 VanDerWaalsContact OD2-CZ 3.3Å; D400-R402 IonicContact OD2-NE 3.3Å; D400-R402 PolarHBondContact OD2-NE 3.49Å; D400-R402 IonicContact OD2-NH2 3.91Å; D400-R402 PolarHBondContact OD2-NH2 2.93Å; D400-I512 HydrophobicContact CB-CG2 4.08Å
401	F	98.1	Very high	95.6	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.009	26%	0.257	C	S	.	.			trans	-114.6	11.7	172.7	-64.1	-77.6	0	0	0	112.6	R399 S403 H404 H422 H436 L494 W507 I512 I513	R399-F401 HydrophobicContact CB-CE2 4.07Å; R399-F401 VanDerWaalsContact CD-CZ 3.46Å; R399-F401 HydrophobicContact CG-CD2 4.36Å; R399-F401 HydrophobicContact CG-CE1 4.48Å; R399-F401 HydrophobicContact CG-CE2 3.72Å; R399-F401 HydrophobicContact CG-CZ 3.79Å; F401-S403 PolarHBondContact O-N 3.04Å; F401-S403 VanDerWaalsContact O-N 3.1Å; F401-H404 AromaticContact CD1-CE1 3.67Å; F401-H404 AromaticContact CD1-ND1 3.81Å; F401-H404 AromaticContact CD1-NE2 3.94Å; F401-H404 WeakPolarHBondContact O-CB 3.32Å; F401-H404 PolarHBondContact O-N 3.1Å; F401-H404 PolarHBondContact O-ND1 3.49Å; F401-H422 AromaticContact CD1-CE1 3.85Å; F401-H436 AromaticContact CD2-CE1 3.69Å; F401-H436 AromaticContact CG-CE1 3.78Å; F401-L494 HydrophobicContact CE1-CD1 4.06Å; F401-L494 HydrophobicContact CE1-CD2 4.45Å; F401-L494 HydrophobicContact CZ-CD1 4.19Å; F401-L494 HydrophobicContact CZ-CD2 4.33Å; F401-W507 HydrophobicContact CE2-CZ3 4.31Å; F401-W507 HydrophobicContact CZ-CZ3 4.45Å; F401-I512 PolarHBondContact N-O 3.49Å; F401-I513 HydrophobicContact CB-CG2 4.25Å
402	R	97.4	Very high	95.5	Very high	70 Å²	70	59.2 Å²	59.2	26%	0.264	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.4	179.4	-63.7	175.4	-63.5	163.8	0.4	112.5	D400 H404 D487 I512 R514 R516	D400-R402 VanDerWaalsContact OD1-CB 3.23Å; D400-R402 WeakPolarHBondContact OD1-CB 3.28Å; D400-R402 WeakPolarHBondContact OD1-CG 3.47Å; D400-R402 IonicContact OD1-CZ 3.83Å; D400-R402 PolarHBondContact OD1-N 3.46Å; D400-R402 IonicContact OD1-NE 3.93Å; D400-R402 PolarHBondContact OD1-NE 3.48Å; D400-R402 IonicContact OD2-CZ 2.95Å; D400-R402 VanDerWaalsContact OD2-CZ 3.3Å; D400-R402 IonicContact OD2-NE 3.3Å; D400-R402 PolarHBondContact OD2-NE 3.49Å; D400-R402 IonicContact OD2-NH2 3.91Å; D400-R402 PolarHBondContact OD2-NH2 2.93Å; R402-H404 PolarHBondContact O-N 3.09Å; R402-D487 VanDerWaalsContact CD-CG 3.49Å; R402-D487 WeakPolarHBondContact CD-OD2 3.31Å; R402-D487 IonicContact CZ-OD2 3.7Å; R402-D487 IonicContact NE-OD2 3.85Å; R402-D487 IonicContact NH1-OD2 2.71Å; R402-D487 PolarHBondContact NH1-OD2 2.85Å; R402-I512 HydrophobicContact CG-CG2 4.41Å; R402-R514 HydrophobicContact CB-CB 4.13Å; R402-R514 HydrophobicContact CG-CB 4.03Å; R402-R516 PolarHBondContact O-NH2 3.01Å
403	S	96.5	Very high	95.2	Very high	88 Å²	88	57.4 Å²	57.4	62%	0.615	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	4.8	174.5	66	0	0	0	0	114.7	F401 F554	F401-S403 PolarHBondContact O-N 3.04Å; F401-S403 VanDerWaalsContact O-N 3.1Å; S403-F554 WeakPolarHBondContact O-CZ 3.09Å
404	H	96.9	Very high	95.1	Very high	42 Å²	42	55.3 Å²	55.3	19%	0.194	27%	0.267	C	S	.	.	S	Bend	trans	-105.3	157.3	-179.9	-61.4	65	0	0	0	111.1	F401 R402 V406 H422 F554	F401-H404 AromaticContact CD1-CE1 3.67Å; F401-H404 AromaticContact CD1-ND1 3.81Å; F401-H404 AromaticContact CD1-NE2 3.94Å; F401-H404 WeakPolarHBondContact O-CB 3.32Å; F401-H404 PolarHBondContact O-N 3.1Å; F401-H404 PolarHBondContact O-ND1 3.49Å; R402-H404 PolarHBondContact O-N 3.09Å; H404-V406 HydrophobicContact CB-CG2 4.09Å; H404-V406 PolarHBondContact O-N 3.2Å; H404-H422 HydrophobicContact CB-CB 4.49Å; H404-H422 AromaticContact CD2-CD2 3.66Å; H404-H422 AromaticContact CD2-NE2 3.36Å; H404-H422 PolarHBondContact CD2-NE2 3.25Å; H404-F554 WeakPolarHBondContact O-CE2 3.18Å
405	C	96.8	Very high	95	Very high	17 Å²	17	60.7 Å²	60.7	12%	0.115	29%	0.29	C	S	.	.			trans	-78.6	70.6	175.4	-164.9	0	0	0	0	109.9	H422 F554	C405-H422 WeakPolarHBondContact O-CB 3.48Å; C405-F554 HydrophobicContact CB-CD1 3.52Å; C405-F554 HydrophobicContact CB-CD2 4.26Å; C405-F554 HydrophobicContact CB-CE1 3.58Å; C405-F554 HydrophobicContact CB-CE2 4.31Å; C405-F554 HydrophobicContact CB-CG 3.86Å; C405-F554 HydrophobicContact CB-CZ 3.99Å
406	V	98.2	Very high	94.9	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	133.8	179.1	-177.5	0	0	0	0	109.6	H404 A420 L421 H422 I513 S515 R516	H404-V406 HydrophobicContact CB-CG2 4.09Å; H404-V406 PolarHBondContact O-N 3.2Å; V406-A420 HydrophobicContact CG1-CB 3.6Å; V406-L421 CarbonylContact C-O 3.54Å; V406-L421 WeakPolarHBondContact CA-O 3.4Å; V406-H422 HydrophobicContact CG2-CB 4.11Å; V406-I513 HydrophobicContact CG1-CD1 4.13Å; V406-S515 CarbonylContact O-C 3.56Å; V406-S515 WeakPolarHBondContact O-CA 3.44Å; V406-R516 PolarHBondContact O-N 2.95Å
407	I	98	Very high	95.1	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	153.8	-177.2	64.9	173.9	0	0	0	111.3	I409 A420 L421 C517 L559 L563	I407-I409 HydrophobicContact CD1-CD1 4.43Å; I407-A420 CarbonylContact O-C 3.51Å; I407-A420 VanDerWaalsContact O-CA 3.23Å; I407-A420 WeakPolarHBondContact O-CA 3.45Å; I407-A420 WeakPolarHBondContact O-CB 3.36Å; I407-L421 PolarHBondContact N-O 2.97Å; I407-L421 PolarHBondContact O-N 3.16Å; I407-C517 WeakPolarHBondContact CG2-SG 3.44Å; I407-L559 HydrophobicContact CD1-CD1 4.08Å; I407-L559 HydrophobicContact CG2-CD1 3.7Å; I407-L563 HydrophobicContact CD1-CD2 3.57Å; I407-L563 HydrophobicContact CD1-CG 4.03Å
408	T	98.3	Very high	95.5	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147.6	168.6	73.7	0	0	0	0	110.5	D410 D419 A420 L482 C517 R518 L519	T408-D410 VanDerWaalsContact CB-OD2 3.3Å; T408-D410 WeakPolarHBondContact CB-OD2 3.34Å; T408-D410 PolarHBondContact OG1-OD2 2.92Å; T408-D419 WeakPolarHBondContact CG2-O 3.47Å; T408-A420 HydrophobicContact CG2-CB 3.76Å; T408-L482 HydrophobicContact CG2-CB 4.16Å; T408-L482 WeakPolarHBondContact CG2-O 3.42Å; T408-C517 PolarHBondContact N-O 3.27Å; T408-C517 VanDerWaalsContact N-O 3.16Å; T408-R518 WeakPolarHBondContact OG1-CG 3.49Å; T408-L519 PolarHBondContact O-N 2.88Å
409	I	98.1	Very high	95.6	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	111	177.5	-48.3	177.9	0	0	0	108.7	I407 L519 Y521 A524 L563 L628 I629	I407-I409 HydrophobicContact CD1-CD1 4.43Å; I409-L519 WeakPolarHBondContact CA-O 3.18Å; I409-L519 HydrophobicContact CG1-CB 4.33Å; I409-L519 HydrophobicContact CG1-CD1 4.46Å; I409-Y521 HydrophobicContact CG2-CD1 3.71Å; I409-Y521 HydrophobicContact CG2-CE1 3.98Å; I409-Y521 HydrophobicContact CG2-CG 4.38Å; I409-A524 HydrophobicContact CD1-CB 3.92Å; I409-A524 HydrophobicContact CG1-CB 4.39Å; I409-A524 HydrophobicContact CG2-CB 3.81Å; I409-L563 HydrophobicContact CD1-CD2 3.6Å; I409-L628 HydrophobicContact CD1-CD2 4.18Å; I409-I629 HydrophobicContact CB-CD1 3.89Å; I409-I629 HydrophobicContact CB-CG1 3.92Å; I409-I629 HydrophobicContact CD1-CD1 4Å; I409-I629 HydrophobicContact CD1-CG1 4.38Å; I409-I629 HydrophobicContact CG1-CD1 4.17Å; I409-I629 HydrophobicContact CG2-CG1 4.32Å
410	D	96.9	Very high	95.7	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.053	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	166.8	-166.9	-62.3	-85.1	0	0	0	112	T408 A414 F417 L519 T520	T408-D410 VanDerWaalsContact CB-OD2 3.3Å; T408-D410 WeakPolarHBondContact CB-OD2 3.34Å; T408-D410 PolarHBondContact OG1-OD2 2.92Å; D410-A414 HydrophobicContact CB-CB 4.03Å; D410-F417 HydrophobicContact CB-CD1 3.8Å; D410-F417 HydrophobicContact CB-CE1 3.95Å; D410-F417 WeakPolarHBondContact OD2-CD1 3.4Å; D410-L519 PolarHBondContact N-O 2.91Å; D410-T520 VanDerWaalsContact O-CA 3.29Å; D410-T520 WeakPolarHBondContact O-CA 3.42Å
411	P	93.1	Very high	95.8	Very high	59 Å²	59	38.6 Å²	38.6	38%	0.383	20%	0.2	S	C	.	.			trans	-55.2	149.8	166.2	-23.6	32.8	0	0	0	112.4	D413 A414 R518 Y521	P411-D413 PolarHBondContact O-N 3.03Å; P411-A414 HydrophobicContact CB-CB 4.12Å; P411-A414 HydrophobicContact CG-CB 4.33Å; P411-A414 VanDerWaalsContact O-CB 3.29Å; P411-A414 WeakPolarHBondContact O-CB 3.21Å; P411-A414 PolarHBondContact O-N 2.89Å; P411-A414 VanDerWaalsContact O-N 3.07Å; P411-R518 PolarHBondContact O-NH2 3.16Å; P411-Y521 HydrophobicContact CG-CE2 4.06Å
412	K	90.9	Very high	95.8	Very high	162 Å²	162	38.6 Å²	38.6	70%	0.704	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-38.8	179.8	-174.3	176.5	-179.5	175.6	0	113.3	R518 T520	K412-R518 PolarHBondContact O-NH2 3.01Å; K412-T520 HydrophobicContact CB-CG2 4.02Å; K412-T520 HydrophobicContact CG-CG2 4.28Å
413	D	88.2	Confident	95.8	Very high	143 Å²	143	36.2 Å²	36.2	77%	0.765	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	1.7	-177.2	-53.6	-50	0	0	0	113.7	P411	P411-D413 PolarHBondContact O-N 3.03Å
414	A	91	Very high	95.8	Very high	20 Å²	20	34.6 Å²	34.6	17%	0.165	18%	0.178	C	C	.	.			trans	-67.5	143.4	179.5	0	0	0	0	0	111.8	D410 P411 F417	D410-A414 HydrophobicContact CB-CB 4.03Å; P411-A414 HydrophobicContact CB-CB 4.12Å; P411-A414 HydrophobicContact CG-CB 4.33Å; P411-A414 VanDerWaalsContact O-CB 3.29Å; P411-A414 WeakPolarHBondContact O-CB 3.21Å; P411-A414 PolarHBondContact O-N 2.89Å; P411-A414 VanDerWaalsContact O-N 3.07Å; A414-F417 HydrophobicContact CB-CD1 4.37Å; A414-F417 HydrophobicContact CB-CE1 3.96Å; A414-F417 WeakPolarHBondContact O-CE1 3.48Å; A414-F417 WeakPolarHBondContact O-CZ 3.4Å
415	K	90.1	Very high	95.8	Very high	126 Å²	126	40.2 Å²	40.2	55%	0.548	20%	0.198	S	C	.	.			trans	-124.8	-14.3	176	-62.4	-176.9	-179.3	-180	0	112.8	Q477 S481	K415-Q477 HydrophobicContact CB-CB 4.34Å; K415-Q477 HydrophobicContact CB-CG 3.96Å; K415-Q477 WeakPolarHBondContact O-CA 3.46Å; K415-S481 PolarHBondContact O-OG 3.01Å
416	D	92.5	Very high	95.7	Very high	36 Å²	36	42.3 Å²	42.3	19%	0.193	21%	0.207	C	C	.	.			trans	-110.8	65.5	-171.5	48.8	-36.3	0	0	0	110.4	D418 Y462 S476 I823	D416-D418 PolarHBondContact O-N 3.34Å; D416-Y462 PolarHBondContact OD2-OH 3.29Å; D416-S476 WeakPolarHBondContact CA-O 3.04Å; D416-S476 WeakPolarHBondContact CB-O 3.31Å; D416-I823 HydrophobicContact CB-CG2 3.95Å
417	F	96.8	Very high	95.3	Very high	13 Å²	13	48.9 Å²	48.9	6%	0.057	24%	0.243	C	C	.	.			trans	-68.2	102	179	-42.8	-48.8	0	0	0	110.9	D410 A414 S481 L482 V483 R518	D410-F417 HydrophobicContact CB-CD1 3.8Å; D410-F417 HydrophobicContact CB-CE1 3.95Å; D410-F417 WeakPolarHBondContact OD2-CD1 3.4Å; A414-F417 HydrophobicContact CB-CD1 4.37Å; A414-F417 HydrophobicContact CB-CE1 3.96Å; A414-F417 WeakPolarHBondContact O-CE1 3.48Å; A414-F417 WeakPolarHBondContact O-CZ 3.4Å; F417-S481 VanDerWaalsContact CD2-OG 3.26Å; F417-S481 WeakPolarHBondContact CD2-OG 3.49Å; F417-S481 PolarHBondContact N-OG 2.89Å; F417-S481 WeakPolarHBondContact O-CA 3.36Å; F417-L482 HydrophobicContact CB-CB 4.4Å; F417-L482 PolarHBondContact O-N 2.92Å; F417-V483 HydrophobicContact CD2-CG1 4.27Å; F417-V483 HydrophobicContact CE2-CG1 4.37Å; F417-R518 HydrophobicContact CE1-CG 4.32Å; F417-R518 HydrophobicContact CE2-CG 4.33Å; F417-R518 HydrophobicContact CZ-CG 4.05Å; F417-R518 VanDerWaalsContact CZ-NE 3.31Å
418	D	98	Very high	94.8	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.016	28%	0.283	C	S	.	.			trans	-80.9	-35.1	-179.7	-85.3	-66.4	0	0	0	112.3	D416 I437 A438 L482 S821 P822 I823 R824	D416-D418 PolarHBondContact O-N 3.34Å; D418-I437 CarbonylContact O-C 3.46Å; D418-I437 VanDerWaalsContact O-CA 3.3Å; D418-I437 WeakPolarHBondContact O-CA 3.16Å; D418-A438 PolarHBondContact O-N 3.47Å; D418-L482 WeakPolarHBondContact O-CD1 3.44Å; D418-S821 VanDerWaalsContact OD1-C 3.26Å; D418-S821 WeakPolarHBondContact OD1-CA 3.48Å; D418-S821 WeakPolarHBondContact OD2-CA 3.3Å; D418-S821 VanDerWaalsContact OD2-CB 3.29Å; D418-S821 WeakPolarHBondContact OD2-CB 3.42Å; D418-P822 WeakPolarHBondContact OD1-CD 3.12Å; D418-I823 WeakPolarHBondContact OD1-CB 3.29Å; D418-I823 WeakPolarHBondContact OD1-CG1 3.45Å; D418-I823 PolarHBondContact OD1-N 3.32Å; D418-R824 WeakPolarHBondContact OD2-CG 3.05Å; D418-R824 IonicContact OD2-NE 3.46Å; D418-R824 PolarHBondContact OD2-NE 3.09Å
419	D	98.4	Very high	94.5	Very high	12 Å²	12	58.1 Å²	58.1	6%	0.064	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.2	-168.3	59.4	-83.9	0	0	0	113.9	T408 H436 I437 M633	T408-D419 WeakPolarHBondContact CG2-O 3.47Å; D419-H436 CarbonylContact C-O 3.59Å; D419-H436 WeakPolarHBondContact CA-O 3.34Å; D419-I437 HydrophobicContact CB-CD1 3.7Å; D419-M633 HydrophobicContact CB-CE 3.68Å; D419-M633 HydrophobicContact CB-SD 3.65Å
420	A	98.7	Very high	94.4	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150.6	174.2	0	0	0	0	0	110.5	V406 I407 T408 H436 L482 I513	V406-A420 HydrophobicContact CG1-CB 3.6Å; I407-A420 CarbonylContact O-C 3.51Å; I407-A420 VanDerWaalsContact O-CA 3.23Å; I407-A420 WeakPolarHBondContact O-CA 3.45Å; I407-A420 WeakPolarHBondContact O-CB 3.36Å; T408-A420 HydrophobicContact CG2-CB 3.76Å; A420-H436 HydrophobicContact CB-CB 4.29Å; A420-H436 PolarHBondContact N-O 3.33Å; A420-H436 PolarHBondContact O-N 2.74Å; A420-L482 HydrophobicContact CB-CD1 3.75Å; A420-I513 HydrophobicContact CB-CD1 4.01Å
421	L	98.7	Very high	94.5	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.6	-176.8	-63.5	174.8	0	0	0	111.3	V406 I407 G434 I435 L566 L628 I629 W632 M633	V406-L421 CarbonylContact C-O 3.54Å; V406-L421 WeakPolarHBondContact CA-O 3.4Å; I407-L421 PolarHBondContact N-O 2.97Å; I407-L421 PolarHBondContact O-N 3.16Å; L421-G434 WeakPolarHBondContact CA-O 3.47Å; L421-I435 HydrophobicContact CD2-CB 4.13Å; L421-I435 HydrophobicContact CD2-CG1 3.84Å; L421-I435 HydrophobicContact CD2-CG2 3.9Å; L421-L566 HydrophobicContact CB-CD1 3.97Å; L421-L566 HydrophobicContact CD1-CD1 4.34Å; L421-L628 HydrophobicContact CD1-CD2 4.04Å; L421-I629 HydrophobicContact CD1-CD1 3.58Å; L421-W632 HydrophobicContact CD1-CB 4.1Å; L421-W632 HydrophobicContact CD1-CG 4.04Å; L421-W632 HydrophobicContact CD2-CB 4.03Å; L421-W632 HydrophobicContact CD2-CG 4.27Å; L421-M633 HydrophobicContact CD2-CE 4.15Å
422	H	98.1	Very high	94.7	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.009	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	161.3	157.3	82.1	-89.7	0	0	0	110.1	F401 H404 C405 V406 V433 G434 H436	F401-H422 AromaticContact CD1-CE1 3.85Å; H404-H422 HydrophobicContact CB-CB 4.49Å; H404-H422 AromaticContact CD2-CD2 3.66Å; H404-H422 AromaticContact CD2-NE2 3.36Å; H404-H422 PolarHBondContact CD2-NE2 3.25Å; C405-H422 WeakPolarHBondContact O-CB 3.48Å; V406-H422 HydrophobicContact CG2-CB 4.11Å; H422-V433 WeakPolarHBondContact O-CA 3.09Å; H422-G434 VanDerWaalsContact CE1-CA 3.48Å; H422-G434 WeakPolarHBondContact CE1-CA 3.49Å; H422-G434 PolarHBondContact N-O 3.45Å; H422-G434 PolarHBondContact O-N 3.36Å; H422-H436 AromaticContact CE1-CE1 3.75Å; H422-H436 AromaticContact CE1-NE2 3.52Å; H422-H436 AromaticContact CG-NE2 3.94Å; H422-H436 AromaticContact ND1-CD2 3.97Å; H422-H436 AromaticContact ND1-CE1 3.48Å; H422-H436 PolarHBondContact ND1-CE1 3.13Å; H422-H436 AromaticContact ND1-NE2 2.8Å; H422-H436 PolarHBondContact ND1-NE2 3.31Å
423	I	98.3	Very high	95.1	Very high	20 Å²	20	51.5 Å²	51.5	10%	0.103	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.6	172.7	-172.1	162.6	0	0	0	110.5	Y431 Q432 V433 C562 L566 I569	I423-Y431 HydrophobicContact CD1-CD1 3.78Å; I423-Y431 HydrophobicContact CD1-CG 4.11Å; I423-Y431 HydrophobicContact CG1-CD1 4.06Å; I423-Q432 CarbonylContact C-O 3.55Å; I423-Q432 WeakPolarHBondContact CA-O 3.29Å; I423-V433 HydrophobicContact CB-CG2 4.24Å; I423-V433 HydrophobicContact CD1-CG2 3.64Å; I423-V433 HydrophobicContact CG1-CG2 3.74Å; I423-C562 HydrophobicContact CG2-CB 4.22Å; I423-C562 WeakPolarHBondContact CG2-O 3.46Å; I423-L566 HydrophobicContact CB-CD2 3.99Å; I423-L566 HydrophobicContact CB-CG 4.05Å; I423-L566 HydrophobicContact CD1-CD2 4.27Å; I423-L566 HydrophobicContact CD1-CG 4.46Å; I423-L566 HydrophobicContact CG2-CD1 4.43Å; I423-L566 HydrophobicContact CG2-CD2 4.4Å; I423-L566 HydrophobicContact CG2-CG 3.9Å; I423-I569 HydrophobicContact CD1-CD1 3.76Å
424	T	96.7	Very high	95.6	Very high	54 Å²	54	44.7 Å²	44.7	33%	0.331	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.2	173.3	-48.6	0	0	0	0	108.6	Y431 Q432	T424-Y431 WeakPolarHBondContact O-CA 3.39Å; T424-Q432 PolarHBondContact N-O 2.97Å; T424-Q432 PolarHBondContact O-N 3.12Å
425	R	95.5	Very high	96	Very high	159 Å²	159	43.7 Å²	43.7	60%	0.6	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	130.3	174.1	-168.3	175	-175.2	-179.2	3.1	109.7	Y431	R425-Y431 HydrophobicContact CB-CD1 4.2Å; R425-Y431 HydrophobicContact CB-CE1 4.19Å; R425-Y431 HydrophobicContact CG-CD1 4.2Å; R425-Y431 HydrophobicContact CG-CE1 3.9Å
426	L	95.3	Very high	96.4	Very high	61 Å²	61	37.7 Å²	37.7	32%	0.319	20%	0.197	S	C	.	.			trans	-102.5	175	174.3	-58.5	-179.7	0	0	0	110.6	L430 Q432 T496	L426-L430 WeakPolarHBondContact CA-O 3.49Å; L426-L430 HydrophobicContact CB-CB 4.08Å; L426-L430 WeakPolarHBondContact CB-O 3.26Å; L426-L430 HydrophobicContact CD1-CB 4.36Å; L426-L430 PolarHBondContact N-O 3Å; L426-Q432 HydrophobicContact CD1-CB 3.94Å; L426-Q432 HydrophobicContact CD2-CB 4.16Å; L426-Q432 HydrophobicContact CG-CB 4Å; L426-T496 HydrophobicContact CD1-CG2 4.13Å
427	N	89.5	Confident	96.7	Very high	139 Å²	139	36 Å²	36	74%	0.743	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-65.7	161.3	172.1	-64	-16.9	0	0	0	111.2	G429 L430	N427-G429 VanDerWaalsContact C-N 3.32Å; N427-G429 PolarHBondContact O-N 3.4Å; N427-L430 PolarHBondContact O-N 3.39Å
428	N	88.7	Confident	96.8	Very high	159 Å²	159	35.4 Å²	35.4	85%	0.85	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	64	25.6	174.6	-52.1	-20.9	0	0	0	115.6	L430	N428-L430 VanDerWaalsContact C-N 3.28Å; N428-L430 PolarHBondContact O-N 2.91Å
429	G	90.7	Very high	96.7	Very high	37 Å²	37	35.2 Å²	35.2	38%	0.381	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	74.7	18.2	178.3	0	0	0	0	0	114.1	N427	N427-G429 VanDerWaalsContact C-N 3.32Å; N427-G429 PolarHBondContact O-N 3.4Å
430	L	96.8	Very high	96.6	Very high	39 Å²	39	34.7 Å²	34.7	20%	0.204	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	153.4	173.2	-62.7	175.8	0	0	0	110.7	L426 N427 N428 T496 K498 V504	L426-L430 WeakPolarHBondContact CA-O 3.49Å; L426-L430 HydrophobicContact CB-CB 4.08Å; L426-L430 WeakPolarHBondContact CB-O 3.26Å; L426-L430 HydrophobicContact CD1-CB 4.36Å; L426-L430 PolarHBondContact N-O 3Å; N427-L430 PolarHBondContact O-N 3.39Å; N428-L430 VanDerWaalsContact C-N 3.28Å; N428-L430 PolarHBondContact O-N 2.91Å; L430-T496 HydrophobicContact CB-CG2 4.23Å; L430-T496 HydrophobicContact CD1-CG2 4.04Å; L430-T496 HydrophobicContact CD2-CG2 4.49Å; L430-T496 HydrophobicContact CG-CG2 4.49Å; L430-K498 HydrophobicContact CD2-CG 3.63Å; L430-V504 HydrophobicContact CD2-CG2 4.08Å
431	Y	98	Very high	96.4	Very high	15 Å²	15	34.6 Å²	34.6	6%	0.059	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.6	171.6	-61.5	-95.4	0	0	0	109	I423 T424 R425 T496 V497 E499 I569	I423-Y431 HydrophobicContact CD1-CD1 3.78Å; I423-Y431 HydrophobicContact CD1-CG 4.11Å; I423-Y431 HydrophobicContact CG1-CD1 4.06Å; T424-Y431 WeakPolarHBondContact O-CA 3.39Å; R425-Y431 HydrophobicContact CB-CD1 4.2Å; R425-Y431 HydrophobicContact CB-CE1 4.19Å; R425-Y431 HydrophobicContact CG-CD1 4.2Å; R425-Y431 HydrophobicContact CG-CE1 3.9Å; Y431-T496 CarbonylContact O-C 3.58Å; Y431-T496 WeakPolarHBondContact O-CA 3.27Å; Y431-V497 PolarHBondContact N-O 3.25Å; Y431-V497 PolarHBondContact O-N 3.22Å; Y431-E499 HydrophobicContact CE2-CB 4.12Å; Y431-E499 HydrophobicContact CE2-CG 4.41Å; Y431-I569 HydrophobicContact CD1-CD1 4.46Å; Y431-I569 HydrophobicContact CD2-CD1 3.83Å; Y431-I569 HydrophobicContact CE2-CD1 4.38Å; Y431-I569 HydrophobicContact CG-CD1 3.88Å
432	Q	98.1	Very high	96.1	Very high	40 Å²	40	35.8 Å²	35.8	19%	0.187	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.9	168	-175.1	169.4	88.7	0	0	108.5	I423 T424 L426 L494 L495	I423-Q432 CarbonylContact C-O 3.55Å; I423-Q432 WeakPolarHBondContact CA-O 3.29Å; T424-Q432 PolarHBondContact N-O 2.97Å; T424-Q432 PolarHBondContact O-N 3.12Å; L426-Q432 HydrophobicContact CD1-CB 3.94Å; L426-Q432 HydrophobicContact CD2-CB 4.16Å; L426-Q432 HydrophobicContact CG-CB 4Å; Q432-L494 HydrophobicContact CG-CD1 3.49Å; Q432-L494 VanDerWaalsContact CG-CD1 3.49Å; Q432-L494 HydrophobicContact CG-CD2 4.1Å; Q432-L494 HydrophobicContact CG-CG 3.66Å; Q432-L495 CarbonylContact C-O 3.44Å; Q432-L495 WeakPolarHBondContact CA-O 3.42Å
433	V	98.6	Very high	95.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.9	179.7	179.3	0	0	0	0	109	H422 I423 I435 L494 L495 V497 L566 W632	H422-V433 WeakPolarHBondContact O-CA 3.09Å; I423-V433 HydrophobicContact CB-CG2 4.24Å; I423-V433 HydrophobicContact CD1-CG2 3.64Å; I423-V433 HydrophobicContact CG1-CG2 3.74Å; V433-I435 HydrophobicContact CG1-CG1 4.29Å; V433-L494 WeakPolarHBondContact O-CA 3.31Å; V433-L495 PolarHBondContact N-O 3.39Å; V433-L495 PolarHBondContact O-N 3.37Å; V433-V497 HydrophobicContact CG2-CG2 3.84Å; V433-L566 HydrophobicContact CG1-CD2 3.88Å; V433-L566 HydrophobicContact CG2-CD2 4.38Å; V433-W632 HydrophobicContact CB-CH2 3.94Å; V433-W632 HydrophobicContact CB-CZ3 3.96Å; V433-W632 HydrophobicContact CG1-CD2 4.2Å; V433-W632 HydrophobicContact CG1-CE3 3.83Å; V433-W632 HydrophobicContact CG1-CH2 3.79Å; V433-W632 HydrophobicContact CG1-CZ2 4.12Å; V433-W632 HydrophobicContact CG1-CZ3 3.62Å; V433-W632 HydrophobicContact CG2-CH2 3.55Å; V433-W632 HydrophobicContact CG2-CZ2 4.01Å; V433-W632 HydrophobicContact CG2-CZ3 4.1Å
434	G	98.6	Very high	95.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.7	171.7	0	0	0	0	0	110.6	L421 H422	L421-G434 WeakPolarHBondContact CA-O 3.47Å; H422-G434 VanDerWaalsContact CE1-CA 3.48Å; H422-G434 WeakPolarHBondContact CE1-CA 3.49Å; H422-G434 PolarHBondContact N-O 3.45Å; H422-G434 PolarHBondContact O-N 3.36Å
435	I	98.8	Very high	95.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	112.8	172.1	-46.7	176.1	0	0	0	107.1	L421 V433 I437 S492 I493 L495 W632 M633 A636	L421-I435 HydrophobicContact CD2-CB 4.13Å; L421-I435 HydrophobicContact CD2-CG1 3.84Å; L421-I435 HydrophobicContact CD2-CG2 3.9Å; V433-I435 HydrophobicContact CG1-CG1 4.29Å; I435-I437 HydrophobicContact CG2-CD1 4.07Å; I435-S492 CarbonylContact O-C 3.54Å; I435-S492 VanDerWaalsContact O-CA 3.27Å; I435-S492 WeakPolarHBondContact O-CA 3.48Å; I435-I493 HydrophobicContact CB-CB 4.47Å; I435-I493 PolarHBondContact N-O 3.44Å; I435-I493 PolarHBondContact O-N 3.3Å; I435-L495 HydrophobicContact CD1-CD1 3.81Å; I435-W632 HydrophobicContact CD1-CE3 3.99Å; I435-W632 WeakPolarHBondContact CD1-O 3.41Å; I435-M633 HydrophobicContact CG2-CE 3.74Å; I435-A636 HydrophobicContact CD1-CB 3.81Å; I435-A636 HydrophobicContact CG2-CB 4.05Å
436	H	98.8	Very high	94.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.4	-173.3	-45.7	-77.7	0	0	0	109.6	F401 D419 A420 H422 L482 A490 S492 I513	F401-H436 AromaticContact CD2-CE1 3.69Å; F401-H436 AromaticContact CG-CE1 3.78Å; D419-H436 CarbonylContact C-O 3.59Å; D419-H436 WeakPolarHBondContact CA-O 3.34Å; A420-H436 HydrophobicContact CB-CB 4.29Å; A420-H436 PolarHBondContact N-O 3.33Å; A420-H436 PolarHBondContact O-N 2.74Å; H422-H436 AromaticContact CE1-CE1 3.75Å; H422-H436 AromaticContact CE1-NE2 3.52Å; H422-H436 AromaticContact CG-NE2 3.94Å; H422-H436 AromaticContact ND1-CD2 3.97Å; H422-H436 AromaticContact ND1-CE1 3.48Å; H422-H436 PolarHBondContact ND1-CE1 3.13Å; H422-H436 AromaticContact ND1-NE2 2.8Å; H422-H436 PolarHBondContact ND1-NE2 3.31Å; H436-L482 WeakPolarHBondContact O-CD1 2.97Å; H436-A490 HydrophobicContact CB-CB 4.1Å; H436-S492 PolarHBondContact ND1-OG 2.85Å; H436-I513 HydrophobicContact CB-CD1 3.79Å; H436-I513 HydrophobicContact CB-CG2 4Å
437	I	98.8	Very high	94.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	140.9	-179.2	-52.4	-55	0	0	0	109.6	D418 D419 I435 D439 A490 F491 M633 F819 T820 P822	D418-I437 CarbonylContact O-C 3.46Å; D418-I437 VanDerWaalsContact O-CA 3.3Å; D418-I437 WeakPolarHBondContact O-CA 3.16Å; D419-I437 HydrophobicContact CB-CD1 3.7Å; I435-I437 HydrophobicContact CG2-CD1 4.07Å; I437-D439 PolarHBondContact O-N 3Å; I437-A490 CarbonylContact O-C 3.37Å; I437-A490 WeakPolarHBondContact O-CA 2.97Å; I437-A490 WeakPolarHBondContact O-CB 3.23Å; I437-F491 PolarHBondContact N-O 3.38Å; I437-F491 PolarHBondContact O-N 3.3Å; I437-M633 HydrophobicContact CD1-SD 4.22Å; I437-F819 HydrophobicContact CB-CE1 4.04Å; I437-F819 HydrophobicContact CB-CZ 4.38Å; I437-F819 HydrophobicContact CG1-CD1 3.88Å; I437-F819 HydrophobicContact CG1-CE1 3.43Å; I437-F819 VanDerWaalsContact CG1-CE1 3.43Å; I437-F819 HydrophobicContact CG1-CZ 4.25Å; I437-T820 HydrophobicContact CD1-CG2 3.93Å; I437-T820 HydrophobicContact CG1-CG2 4.4Å; I437-P822 VanDerWaalsContact CG2-CD 3.43Å; I437-P822 HydrophobicContact CG2-CG 3.83Å
438	A	98.6	Very high	94.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48	125.3	176.1	0	0	0	0	0	112.5	D418 V440 C480 L482 P822 I823 H832	D418-A438 PolarHBondContact O-N 3.47Å; A438-V440 HydrophobicContact CB-CG2 4.34Å; A438-V440 PolarHBondContact O-N 3.13Å; A438-C480 HydrophobicContact CB-CB 4.46Å; A438-C480 WeakPolarHBondContact CB-O 3.35Å; A438-L482 HydrophobicContact CB-CD2 4.4Å; A438-L482 HydrophobicContact CB-CG 4.41Å; A438-P822 HydrophobicContact CB-CG 4.46Å; A438-P822 WeakPolarHBondContact O-CG 3.24Å; A438-I823 HydrophobicContact CB-CD1 3.9Å; A438-I823 HydrophobicContact CB-CG1 4.08Å; A438-H832 PolarHBondContact O-CE1 2.96Å
439	D	97.2	Very high	94.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.			trans	-83.6	67	178.7	-171.4	5.8	0	0	0	111.7	R398 I437 S441 Y442 L489 R510	R398-D439 IonicContact CZ-OD2 2.9Å; R398-D439 IonicContact NH1-OD2 3.01Å; R398-D439 PolarHBondContact NH1-OD2 3.5Å; R398-D439 IonicContact NH2-OD2 2.83Å; R398-D439 PolarHBondContact NH2-OD2 3.44Å; I437-D439 PolarHBondContact O-N 3Å; D439-S441 PolarHBondContact O-N 2.94Å; D439-S441 PolarHBondContact OD1-N 3.15Å; D439-S441 PolarHBondContact OD1-OG 3.45Å; D439-Y442 WeakPolarHBondContact O-CB 3.44Å; D439-Y442 PolarHBondContact O-N 3.48Å; D439-Y442 PolarHBondContact OD1-N 2.8Å; D439-L489 HydrophobicContact CB-CB 4.16Å; D439-L489 PolarHBondContact N-O 3.22Å; D439-L489 VanDerWaalsContact N-O 3.1Å; D439-R510 IonicContact OD1-CZ 3.07Å; D439-R510 IonicContact OD1-NH1 2.8Å; D439-R510 IonicContact OD2-CZ 2.95Å; D439-R510 IonicContact OD2-NE 3.14Å; D439-R510 IonicContact OD2-NH1 2.7Å; D439-R510 PolarHBondContact OD2-NH1 3.08Å
440	V	96.8	Very high	94.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.3	-29.7	175.7	176.1	0	0	0	0	111.4	A438 Y442 F443 V444 L471 C480 P822 I823 L829	A438-V440 HydrophobicContact CB-CG2 4.34Å; A438-V440 PolarHBondContact O-N 3.13Å; V440-Y442 PolarHBondContact O-N 2.76Å; V440-F443 PolarHBondContact O-N 3.49Å; V440-V444 HydrophobicContact CG1-CB 4.44Å; V440-V444 HydrophobicContact CG1-CG2 3.75Å; V440-V444 PolarHBondContact O-N 2.77Å; V440-L471 HydrophobicContact CG1-CD1 3.55Å; V440-L471 HydrophobicContact CG2-CD1 4.45Å; V440-C480 HydrophobicContact CG2-CB 3.93Å; V440-P822 HydrophobicContact CB-CB 3.95Å; V440-P822 HydrophobicContact CB-CG 4.25Å; V440-P822 HydrophobicContact CG2-CB 3.84Å; V440-P822 HydrophobicContact CG2-CG 3.76Å; V440-I823 HydrophobicContact CG2-CB 4.5Å; V440-I823 HydrophobicContact CG2-CG1 3.7Å; V440-L829 HydrophobicContact CB-CD1 4.32Å; V440-L829 HydrophobicContact CG1-CD1 4.03Å; V440-L829 HydrophobicContact CG1-CD2 4.37Å
441	S	93.7	Very high	94.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.5	-35.5	178.8	84.4	0	0	0	0	111.4	D439 F443 R510 Y846	D439-S441 PolarHBondContact O-N 2.94Å; D439-S441 PolarHBondContact OD1-N 3.15Å; D439-S441 PolarHBondContact OD1-OG 3.45Å; S441-F443 VanDerWaalsContact C-N 3.28Å; S441-F443 PolarHBondContact O-N 3.36Å; S441-R510 PolarHBondContact OG-NH2 3.22Å; S441-R510 VanDerWaalsContact OG-NH2 3.09Å; S441-Y846 PolarHBondContact O-OH 3.49Å
442	Y	93.2	Very high	93.9	Very high	26 Å²	26	24.6 Å²	24.6	10%	0.102	12%	0.12	C	C	.	.	H	α-helix	trans	-59.1	-35.9	175.2	179	-94.2	0	0	0	114	F388 P391 E394 D439 V440 L489 V845	F388-Y442 HydrophobicContact CE2-CE1 4.24Å; F388-Y442 AromaticContact CZ-CE1 3.96Å; F388-Y442 HydrophobicContact CZ-CE1 3.96Å; P391-Y442 WeakPolarHBondContact CD-OH 3.24Å; P391-Y442 WeakPolarHBondContact CG-OH 3.38Å; E394-Y442 HydrophobicContact CG-CE2 4.15Å; D439-Y442 WeakPolarHBondContact O-CB 3.44Å; D439-Y442 PolarHBondContact O-N 3.48Å; D439-Y442 PolarHBondContact OD1-N 2.8Å; V440-Y442 PolarHBondContact O-N 2.76Å; Y442-L489 HydrophobicContact CD1-CD1 3.51Å; Y442-L489 HydrophobicContact CD2-CD1 4.02Å; Y442-L489 HydrophobicContact CE1-CD1 3.65Å; Y442-L489 HydrophobicContact CE2-CD1 4.12Å; Y442-L489 HydrophobicContact CG-CD1 3.71Å; Y442-V845 HydrophobicContact CD2-CG1 4.15Å
443	F	93.3	Very high	93.8	Very high	18 Å²	18	23.9 Å²	23.9	8%	0.079	12%	0.116	C	C	.	.	H	α-helix	trans	-92.9	-31.3	-174.5	-62	-83.8	0	0	0	113.5	F388 V440 S441 L475 L479 C480 L489	F388-F443 HydrophobicContact CD1-CE1 4.42Å; F388-F443 HydrophobicContact CD2-CE1 4.39Å; F388-F443 AromaticContact CE1-CE1 3.85Å; F388-F443 HydrophobicContact CE1-CE1 3.85Å; F388-F443 AromaticContact CE1-CZ 3.87Å; F388-F443 HydrophobicContact CE1-CZ 3.87Å; F388-F443 AromaticContact CE2-CE1 3.83Å; F388-F443 HydrophobicContact CE2-CE1 3.83Å; F388-F443 AromaticContact CZ-CE1 3.53Å; F388-F443 HydrophobicContact CZ-CE1 3.53Å; F388-F443 AromaticContact CZ-CZ 3.82Å; F388-F443 HydrophobicContact CZ-CZ 3.82Å; V440-F443 PolarHBondContact O-N 3.49Å; S441-F443 VanDerWaalsContact C-N 3.28Å; S441-F443 PolarHBondContact O-N 3.36Å; F443-L475 HydrophobicContact CB-CD1 4.21Å; F443-L475 HydrophobicContact CB-CD2 3.86Å; F443-L475 HydrophobicContact CD1-CD2 4Å; F443-L475 HydrophobicContact CG-CD2 3.98Å; F443-L479 HydrophobicContact CD1-CD1 4.32Å; F443-L479 HydrophobicContact CE1-CB 3.94Å; F443-L479 HydrophobicContact CE1-CD1 3.98Å; F443-L479 HydrophobicContact CZ-CB 3.93Å; F443-C480 WeakPolarHBondContact CD2-SG 3.42Å; F443-L489 HydrophobicContact CZ-CD1 4.49Å
444	V	92.2	Very high	93.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-101.6	93.5	-175.6	-173.7	0	0	0	0	109.8	V440 L450 D451 L471 L475 L829 R833	V440-V444 HydrophobicContact CG1-CB 4.44Å; V440-V444 HydrophobicContact CG1-CG2 3.75Å; V440-V444 PolarHBondContact O-N 2.77Å; V444-L450 HydrophobicContact CG1-CG 4.31Å; V444-L450 HydrophobicContact CG2-CD2 4.11Å; V444-D451 HydrophobicContact CG1-CB 3.9Å; V444-L471 HydrophobicContact CG2-CD1 4.49Å; V444-L471 HydrophobicContact CG2-CD2 4.03Å; V444-L475 HydrophobicContact CG2-CD1 4.04Å; V444-L829 HydrophobicContact CB-CD2 4.12Å; V444-L829 HydrophobicContact CG1-CD2 3.99Å; V444-R833 PolarHBondContact O-NH2 3.34Å
445	Y	88	Confident	93.3	Very high	116 Å²	116	24.4 Å²	24.4	46%	0.455	12%	0.12	S	C	.	.			trans	-66.7	131.4	-179.4	-68.5	-87.1	0	0	0	112.3	N447 S448 D451 Y846	Y445-N447 PolarHBondContact O-N 3.03Å; Y445-S448 VanDerWaalsContact O-CB 3.23Å; Y445-S448 WeakPolarHBondContact O-CB 3.42Å; Y445-S448 PolarHBondContact O-N 2.81Å; Y445-S448 PolarHBondContact O-OG 2.94Å; Y445-D451 WeakPolarHBondContact O-CB 3.35Å; Y445-Y846 AromaticContact CD1-CD1 3.42Å; Y445-Y846 HydrophobicContact CD1-CD1 3.42Å; Y445-Y846 VanDerWaalsContact CD1-CD1 3.42Å; Y445-Y846 AromaticContact CD1-CE1 3.31Å; Y445-Y846 HydrophobicContact CD1-CE1 3.31Å; Y445-Y846 AromaticContact CE1-CD1 3.65Å; Y445-Y846 HydrophobicContact CE1-CD1 3.65Å; Y445-Y846 AromaticContact CE1-CE1 3.64Å; Y445-Y846 HydrophobicContact CE1-CE1 3.64Å; Y445-Y846 HydrophobicContact CG-CE1 4.17Å
446	P	85.3	Confident	92.9	Very high	33 Å²	33	26.8 Å²	26.8	21%	0.214	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	137.3	177.2	-26.6	34.2	0	0	0	112.8	S448 D451 L849	P446-S448 PolarHBondContact O-N 2.92Å; P446-S448 VanDerWaalsContact O-N 3.13Å; P446-D451 WeakPolarHBondContact CA-OD2 3.44Å; P446-L849 HydrophobicContact CB-CD1 4.43Å; P446-L849 HydrophobicContact CG-CD1 4.01Å
447	N	82.5	Confident	92.6	Very high	75 Å²	75	27.4 Å²	27.4	40%	0.401	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	2.2	-179.7	-53.9	-55.3	0	0	0	116.4	F43 Y445 D451 K452	F43-N447 WeakPolarHBondContact CZ-OD1 3.21Å; Y445-N447 PolarHBondContact O-N 3.03Å; N447-D451 PolarHBondContact N-OD2 3.11Å; N447-K452 VanDerWaalsContact O-CE 3.28Å; N447-K452 WeakPolarHBondContact O-CE 3.32Å; N447-K452 PolarHBondContact O-NZ 3.26Å
448	S	88.3	Confident	92.4	Very high	27 Å²	27	27.7 Å²	27.7	19%	0.189	14%	0.137	C	C	.	.	S	Bend	trans	-61.6	159.6	170.2	66.5	0	0	0	0	111.3	Y445 P446 L450 D451 K452	Y445-S448 VanDerWaalsContact O-CB 3.23Å; Y445-S448 WeakPolarHBondContact O-CB 3.42Å; Y445-S448 PolarHBondContact O-N 2.81Å; Y445-S448 PolarHBondContact O-OG 2.94Å; P446-S448 PolarHBondContact O-N 2.92Å; P446-S448 VanDerWaalsContact O-N 3.13Å; S448-L450 PolarHBondContact O-N 3.49Å; S448-D451 PolarHBondContact O-N 3.46Å; S448-D451 VanDerWaalsContact O-N 3.1Å; S448-D451 WeakPolarHBondContact OG-CB 3.44Å; S448-D451 PolarHBondContact OG-N 3.42Å; S448-D451 VanDerWaalsContact OG-N 3.08Å; S448-K452 WeakPolarHBondContact O-CG 3.43Å; S448-K452 PolarHBondContact O-N 3.19Å
449	P	92.5	Very high	92.3	Very high	44 Å²	44	28.5 Å²	28.5	29%	0.286	14%	0.142	S	C	.	.	H	α-helix	trans	-51.9	-42.8	172.3	-27.3	36	0	0	0	112.2	E376 E377 K452 R453	E376-P449 HydrophobicContact CG-CB 3.98Å; E376-P449 HydrophobicContact CG-CG 3.76Å; E377-P449 HydrophobicContact CG-CB 4.31Å; P449-K452 PolarHBondContact O-N 3.33Å; P449-R453 WeakPolarHBondContact O-CB 2.94Å; P449-R453 PolarHBondContact O-N 2.88Å
450	L	95.1	Very high	92.3	Very high	9 Å²	9	28.8 Å²	28.8	5%	0.047	14%	0.144	C	C	.	.	H	α-helix	trans	-62.3	-42.6	175.6	-178.3	58.7	0	0	0	113.3	F373 E377 L381 V444 S448 R453 A454 P472 L475	F373-L450 HydrophobicContact CE1-CD1 4.47Å; E377-L450 WeakPolarHBondContact O-CB 3.44Å; L381-L450 HydrophobicContact CD1-CD2 4.03Å; L381-L450 HydrophobicContact CD2-CD2 4.38Å; V444-L450 HydrophobicContact CG1-CG 4.31Å; V444-L450 HydrophobicContact CG2-CD2 4.11Å; S448-L450 PolarHBondContact O-N 3.49Å; L450-R453 WeakPolarHBondContact O-CB 3.3Å; L450-R453 PolarHBondContact O-N 3.49Å; L450-A454 WeakPolarHBondContact O-CB 3.35Å; L450-A454 PolarHBondContact O-N 2.81Å; L450-P472 HydrophobicContact CD1-CG 3.75Å; L450-L475 HydrophobicContact CD2-CD1 3.77Å
451	D	93.4	Very high	92.3	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.027	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-43.5	178.1	-177.1	54	0	0	0	111.9	V444 Y445 P446 N447 S448 R453 A454 A455 Y826 R833	V444-D451 HydrophobicContact CG1-CB 3.9Å; Y445-D451 WeakPolarHBondContact O-CB 3.35Å; P446-D451 WeakPolarHBondContact CA-OD2 3.44Å; N447-D451 PolarHBondContact N-OD2 3.11Å; S448-D451 PolarHBondContact O-N 3.46Å; S448-D451 VanDerWaalsContact O-N 3.1Å; S448-D451 WeakPolarHBondContact OG-CB 3.44Å; S448-D451 PolarHBondContact OG-N 3.42Å; S448-D451 VanDerWaalsContact OG-N 3.08Å; D451-R453 VanDerWaalsContact C-N 3.25Å; D451-R453 PolarHBondContact O-N 2.93Å; D451-A454 PolarHBondContact O-N 3.28Å; D451-A455 WeakPolarHBondContact O-CB 3.41Å; D451-A455 PolarHBondContact O-N 3.18Å; D451-Y826 WeakPolarHBondContact OD1-CE2 3.22Å; D451-Y826 PolarHBondContact OD1-OH 2.96Å; D451-R833 IonicContact OD1-CZ 2.74Å; D451-R833 IonicContact OD1-NH1 2.9Å; D451-R833 PolarHBondContact OD1-NH1 3.41Å; D451-R833 IonicContact OD1-NH2 2.85Å; D451-R833 PolarHBondContact OD1-NH2 2.85Å; D451-R833 IonicContact OD2-NH1 3.48Å; D451-R833 PolarHBondContact OD2-NH1 3.01Å; D451-R833 IonicContact OD2-NH2 2.85Å
452	K	90.7	Very high	92.3	Very high	123 Å²	123	33.5 Å²	33.5	54%	0.535	16%	0.163	S	C	.	.	H	α-helix	trans	-60.1	-39.9	174	-69.7	170.2	-179.5	163.9	0	111.1	N447 S448 P449 A455 D456	N447-K452 VanDerWaalsContact O-CE 3.28Å; N447-K452 WeakPolarHBondContact O-CE 3.32Å; N447-K452 PolarHBondContact O-NZ 3.26Å; S448-K452 WeakPolarHBondContact O-CG 3.43Å; S448-K452 PolarHBondContact O-N 3.19Å; P449-K452 PolarHBondContact O-N 3.33Å; K452-A455 PolarHBondContact O-N 3.11Å; K452-D456 WeakPolarHBondContact O-CB 3.48Å; K452-D456 PolarHBondContact O-N 3.03Å
453	R	94.1	Very high	92.3	Very high	26 Å²	26	33 Å²	33	10%	0.098	16%	0.162	C	C	.	.	H	α-helix	trans	-66.2	-43.8	176.2	-177.2	58	172.4	-168.9	-7.2	112.5	D371 F373 E377 P449 L450 D451 A455 D456 R457	D371-R453 IonicContact OD1-CZ 3.56Å; D371-R453 IonicContact OD1-NH1 2.74Å; D371-R453 IonicContact OD1-NH2 2.67Å; D371-R453 PolarHBondContact OD1-NH2 2.98Å; D371-R453 IonicContact OD2-CZ 3.25Å; D371-R453 IonicContact OD2-NH1 2.64Å; D371-R453 PolarHBondContact OD2-NH1 3.19Å; D371-R453 IonicContact OD2-NH2 3.52Å; D371-R453 PolarHBondContact OD2-NH2 3.35Å; F373-R453 HydrophobicContact CD1-CG 3.93Å; F373-R453 HydrophobicContact CE1-CG 3.76Å; E377-R453 HydrophobicContact CG-CB 4.12Å; E377-R453 HydrophobicContact CG-CG 4.39Å; E377-R453 VanDerWaalsContact OE1-CD 3.28Å; E377-R453 WeakPolarHBondContact OE1-CD 3.41Å; E377-R453 WeakPolarHBondContact OE1-CG 3.34Å; E377-R453 IonicContact OE1-NE 3.26Å; P449-R453 WeakPolarHBondContact O-CB 2.94Å; P449-R453 PolarHBondContact O-N 2.88Å; L450-R453 WeakPolarHBondContact O-CB 3.3Å; L450-R453 PolarHBondContact O-N 3.49Å; D451-R453 VanDerWaalsContact C-N 3.25Å; D451-R453 PolarHBondContact O-N 2.93Å; R453-A455 VanDerWaalsContact C-N 3.35Å; R453-D456 PolarHBondContact O-N 3.37Å; R453-R457 PolarHBondContact O-N 3.18Å
454	A	95.5	Very high	92.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-41.2	175.4	0	0	0	0	0	111.5	L450 D451 R457 T458 M470 L471 Y826	L450-A454 WeakPolarHBondContact O-CB 3.35Å; L450-A454 PolarHBondContact O-N 2.81Å; D451-A454 PolarHBondContact O-N 3.28Å; A454-R457 PolarHBondContact O-N 2.84Å; A454-T458 WeakPolarHBondContact O-CA 3.32Å; A454-T458 PolarHBondContact O-N 2.91Å; A454-M470 HydrophobicContact CB-CG 4.25Å; A454-L471 HydrophobicContact CB-CD2 3.8Å; A454-Y826 HydrophobicContact CB-CD2 3.88Å; A454-Y826 HydrophobicContact CB-CE2 4.18Å
455	A	92	Very high	92.2	Very high	11 Å²	11	35.3 Å²	35.3	9%	0.091	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-39.4	175.2	0	0	0	0	0	112.4	D451 K452 R453 T458 Y826 L872 W875	D451-A455 WeakPolarHBondContact O-CB 3.41Å; D451-A455 PolarHBondContact O-N 3.18Å; K452-A455 PolarHBondContact O-N 3.11Å; R453-A455 VanDerWaalsContact C-N 3.35Å; A455-T458 PolarHBondContact O-N 2.68Å; A455-T458 PolarHBondContact O-OG1 2.76Å; A455-T458 VanDerWaalsContact O-OG1 3.13Å; A455-Y826 HydrophobicContact CB-CD1 4.19Å; A455-Y826 HydrophobicContact CB-CD2 4.23Å; A455-Y826 HydrophobicContact CB-CE1 3.74Å; A455-Y826 HydrophobicContact CB-CE2 3.79Å; A455-Y826 HydrophobicContact CB-CG 4.42Å; A455-L872 HydrophobicContact CB-CD2 4.15Å; A455-W875 VanDerWaalsContact O-CD1 3.25Å; A455-W875 PolarHBondContact O-NE1 3.49Å
456	D	89.8	Confident	92.3	Very high	49 Å²	49	32.7 Å²	32.7	26%	0.262	17%	0.166	S	C	.	.	H	α-helix	trans	-68.3	-44.3	177.2	-172.4	66.9	0	0	0	111.8	K258 K452 R453 T458 W875 R879	K258-D456 IonicContact NZ-OD1 2.67Å; K258-D456 PolarHBondContact NZ-OD1 3.33Å; K452-D456 WeakPolarHBondContact O-CB 3.48Å; K452-D456 PolarHBondContact O-N 3.03Å; R453-D456 PolarHBondContact O-N 3.37Å; D456-T458 VanDerWaalsContact C-N 3.34Å; D456-W875 PolarHBondContact O-NE1 2.91Å; D456-W875 VanDerWaalsContact O-NE1 3.14Å; D456-R879 PolarHBondContact O-NE 3.02Å
457	R	93.3	Very high	92.7	Very high	14 Å²	14	34.4 Å²	34.4	5%	0.053	18%	0.176	C	C	.	.	H	α-helix	trans	-65.8	-35.3	174.1	-74	-168.1	167.2	-175.6	-2.6	112.2	D371 F373 R453 A454 T459 P469 M470	D371-R457 PolarHBondContact O-NH2 2.89Å; D371-R457 IonicContact OD1-NH2 3.55Å; D371-R457 PolarHBondContact OD1-NH2 3.37Å; F373-R457 VanDerWaalsContact CZ-NH1 3.31Å; R453-R457 PolarHBondContact O-N 3.18Å; A454-R457 PolarHBondContact O-N 2.84Å; R457-T459 PolarHBondContact O-N 3.43Å; R457-P469 WeakPolarHBondContact CD-O 3.46Å; R457-P469 PolarHBondContact NH1-O 3.14Å; R457-M470 HydrophobicContact CB-CG 4.3Å
458	T	94.7	Very high	93.3	Very high	5 Å²	5	31 Å²	31	3%	0.031	16%	0.158	C	C	.	.			trans	61.8	-46.5	-176.9	-70.8	0	0	0	0	115.1	A454 A455 D456 M470 Y826 W875 C876 R879	A454-T458 WeakPolarHBondContact O-CA 3.32Å; A454-T458 PolarHBondContact O-N 2.91Å; A455-T458 PolarHBondContact O-N 2.68Å; A455-T458 PolarHBondContact O-OG1 2.76Å; A455-T458 VanDerWaalsContact O-OG1 3.13Å; D456-T458 VanDerWaalsContact C-N 3.34Å; T458-M470 VanDerWaalsContact O-SD 3.33Å; T458-Y826 WeakPolarHBondContact O-CB 3.48Å; T458-Y826 PolarHBondContact O-N 2.75Å; T458-W875 VanDerWaalsContact OG1-CD1 3.3Å; T458-C876 HydrophobicContact CG2-CB 3.99Å; T458-R879 HydrophobicContact CG2-CB 3.89Å
459	T	96.7	Very high	93.7	Very high	18 Å²	18	31 Å²	31	11%	0.11	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-149.1	148.5	-173.4	-175	0	0	0	0	109.4	R457 R824 A883	R457-T459 PolarHBondContact O-N 3.43Å; T459-R824 CarbonylContact C-O 3.56Å; T459-R824 WeakPolarHBondContact CA-O 3.42Å; T459-R824 PolarHBondContact OG1-O 3.16Å; T459-A883 HydrophobicContact CG2-CB 3.49Å; T459-A883 VanDerWaalsContact CG2-CB 3.49Å
460	S	97	Very high	93.9	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.042	14%	0.143	C	C	.	.			trans	-63.9	144	166.1	-59.7	0	0	0	0	109.5	I468 M470 R824	S460-I468 CarbonylContact C-O 3.58Å; S460-I468 VanDerWaalsContact CA-O 3.28Å; S460-I468 WeakPolarHBondContact CA-O 3.42Å; S460-M470 PolarHBondContact OG-N 3.05Å; S460-R824 PolarHBondContact N-O 3.4Å; S460-R824 WeakPolarHBondContact OG-CB 3.49Å
461	V	96.9	Very high	94	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.042	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.6	177.8	-174.7	0	0	0	0	108.2	I368 L463 V467 I468 A883 A886	I368-V461 HydrophobicContact CD1-CG1 4.02Å; I368-V461 HydrophobicContact CD1-CG2 4.07Å; I368-V461 HydrophobicContact CG2-CG2 3.92Å; V461-L463 HydrophobicContact CG1-CD2 4Å; V461-L463 HydrophobicContact CG1-CG 4.47Å; V461-V467 WeakPolarHBondContact O-CA 3.43Å; V461-I468 HydrophobicContact CB-CB 4.17Å; V461-I468 PolarHBondContact N-O 3.27Å; V461-I468 PolarHBondContact O-N 3.3Å; V461-A883 HydrophobicContact CG2-CB 3.84Å; V461-A886 HydrophobicContact CG1-CB 4.25Å
462	Y	93.6	Very high	94.2	Very high	92 Å²	92	28.3 Å²	28.3	36%	0.361	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	110.4	177.9	-64.3	-94.2	0	0	0	108.8	D416 V467 R824 G887	D416-Y462 PolarHBondContact OD2-OH 3.29Å; Y462-V467 HydrophobicContact CD1-CB 4.37Å; Y462-V467 HydrophobicContact CD1-CG1 3.93Å; Y462-V467 HydrophobicContact CD1-CG2 3.5Å; Y462-V467 HydrophobicContact CE1-CG1 3.85Å; Y462-V467 HydrophobicContact CE1-CG2 3.86Å; Y462-V467 HydrophobicContact CG-CG1 4.4Å; Y462-V467 HydrophobicContact CG-CG2 4.38Å; Y462-R824 WeakPolarHBondContact OH-CD 3.3Å; Y462-G887 WeakPolarHBondContact O-CA 3.49Å
463	L	94.2	Very high	94.4	Very high	15 Å²	15	25.4 Å²	25.4	8%	0.079	13%	0.134	C	C	.	.			trans	-97.1	171.8	167.5	-51.1	176.8	0	0	0	108.5	T359 L363 V461 Q465 K466 A886	T359-L463 HydrophobicContact CG2-CD1 3.68Å; L363-L463 HydrophobicContact CD2-CD1 4.17Å; V461-L463 HydrophobicContact CG1-CD2 4Å; V461-L463 HydrophobicContact CG1-CG 4.47Å; L463-Q465 PolarHBondContact O-N 2.98Å; L463-K466 CarbonylContact C-O 3.5Å; L463-K466 WeakPolarHBondContact CA-O 3.48Å; L463-K466 HydrophobicContact CB-CG 4.48Å; L463-K466 VanDerWaalsContact CB-O 3.31Å; L463-K466 WeakPolarHBondContact CB-O 3.43Å; L463-K466 HydrophobicContact CD1-CG 3.99Å; L463-K466 PolarHBondContact N-O 3.28Å; L463-A886 HydrophobicContact CD2-CB 4.49Å
464	V	92.3	Very high	94.5	Very high	35 Å²	35	25.2 Å²	25.2	21%	0.212	14%	0.135	C	C	.	.	S	Bend	trans	-62	-44.1	-178.3	175.5	0	0	0	0	111.9	F592 F594 S890 Q891 F894	V464-F592 HydrophobicContact CB-CD2 4.23Å; V464-F592 HydrophobicContact CG1-CB 3.76Å; V464-F592 HydrophobicContact CG1-CD2 3.25Å; V464-F592 HydrophobicContact CG1-CE2 3.96Å; V464-F592 HydrophobicContact CG1-CG 3.63Å; V464-F592 HydrophobicContact CG2-CD2 3.86Å; V464-F592 HydrophobicContact CG2-CE2 3.71Å; V464-F594 HydrophobicContact CG1-CE2 3.88Å; V464-F594 HydrophobicContact CG1-CZ 3.79Å; V464-S890 WeakPolarHBondContact CG2-OG 3.39Å; V464-S890 PolarHBondContact N-OG 3.46Å; V464-Q891 HydrophobicContact CG2-CB 4.44Å; V464-Q891 HydrophobicContact CG2-CG 3.95Å; V464-F894 HydrophobicContact CB-CD1 4.09Å; V464-F894 HydrophobicContact CB-CD2 3.77Å; V464-F894 HydrophobicContact CB-CE1 4.26Å; V464-F894 HydrophobicContact CB-CE2 3.88Å; V464-F894 HydrophobicContact CB-CG 3.85Å; V464-F894 HydrophobicContact CB-CZ 4.12Å; V464-F894 HydrophobicContact CG1-CB 4.28Å; V464-F894 HydrophobicContact CG1-CD1 3.6Å; V464-F894 HydrophobicContact CG1-CD2 4.19Å; V464-F894 HydrophobicContact CG1-CE1 3.93Å; V464-F894 HydrophobicContact CG1-CE2 4.41Å; V464-F894 HydrophobicContact CG1-CG 3.75Å; V464-F894 HydrophobicContact CG1-CZ 4.29Å; V464-F894 HydrophobicContact CG2-CB 4.21Å; V464-F894 HydrophobicContact CG2-CD2 3.93Å; V464-F894 HydrophobicContact CG2-CE2 4.47Å; V464-F894 HydrophobicContact CG2-CG 4.02Å
465	Q	90.3	Very high	94.6	Very high	32 Å²	32	25.2 Å²	25.2	15%	0.15	14%	0.135	C	C	.	.	S	Bend	trans	-100.6	-16.9	-173.2	81.5	-76.7	19	0	0	114.8	T359 L463 F594 T611 F894	T359-Q465 PolarHBondContact OG1-NE2 2.91Å; L463-Q465 PolarHBondContact O-N 2.98Å; Q465-F594 HydrophobicContact CB-CE1 4.01Å; Q465-F594 HydrophobicContact CB-CZ 3.66Å; Q465-T611 HydrophobicContact CB-CG2 3.83Å; Q465-T611 HydrophobicContact CG-CG2 4Å; Q465-F894 HydrophobicContact CB-CE1 4.28Å; Q465-F894 HydrophobicContact CB-CZ 3.81Å; Q465-F894 HydrophobicContact CG-CZ 4.03Å; Q465-F894 VanDerWaalsContact OE1-CE2 3.28Å; Q465-F894 VanDerWaalsContact OE1-CZ 3.27Å
466	K	90	Very high	94.7	Very high	61 Å²	61	25 Å²	25	27%	0.265	13%	0.132	S	C	.	.			trans	-152.3	163	-176.5	70.2	176.5	178.8	180	0	112.8	D370 L463	D370-K466 WeakPolarHBondContact OD2-CE 3.35Å; D370-K466 IonicContact OD2-NZ 3.5Å; D370-K466 PolarHBondContact OD2-NZ 2.88Å; L463-K466 CarbonylContact C-O 3.5Å; L463-K466 WeakPolarHBondContact CA-O 3.48Å; L463-K466 HydrophobicContact CB-CG 4.48Å; L463-K466 VanDerWaalsContact CB-O 3.31Å; L463-K466 WeakPolarHBondContact CB-O 3.43Å; L463-K466 HydrophobicContact CD1-CG 3.99Å; L463-K466 PolarHBondContact N-O 3.28Å
467	V	93.1	Very high	94.9	Very high	68 Å²	68	25.7 Å²	25.7	41%	0.412	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.5	175.1	-177.1	0	0	0	0	108.7	V461 Y462 P469	V461-V467 WeakPolarHBondContact O-CA 3.43Å; Y462-V467 HydrophobicContact CD1-CB 4.37Å; Y462-V467 HydrophobicContact CD1-CG1 3.93Å; Y462-V467 HydrophobicContact CD1-CG2 3.5Å; Y462-V467 HydrophobicContact CE1-CG1 3.85Å; Y462-V467 HydrophobicContact CE1-CG2 3.86Å; Y462-V467 HydrophobicContact CG-CG1 4.4Å; Y462-V467 HydrophobicContact CG-CG2 4.38Å; V467-P469 WeakPolarHBondContact O-CD 3.33Å
468	I	95.9	Very high	95	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	107.5	168.9	-55	174.5	0	0	0	106.7	L363 I368 D370 S460 V461	L363-I468 HydrophobicContact CD1-CD1 3.87Å; L363-I468 HydrophobicContact CD2-CD1 3.51Å; L363-I468 HydrophobicContact CG-CD1 4.35Å; I368-I468 HydrophobicContact CG2-CD1 3.74Å; D370-I468 HydrophobicContact CB-CD1 3.78Å; D370-I468 HydrophobicContact CB-CG1 4.13Å; S460-I468 CarbonylContact C-O 3.58Å; S460-I468 VanDerWaalsContact CA-O 3.28Å; S460-I468 WeakPolarHBondContact CA-O 3.42Å; V461-I468 HydrophobicContact CB-CB 4.17Å; V461-I468 PolarHBondContact N-O 3.27Å; V461-I468 PolarHBondContact O-N 3.3Å
469	P	96.2	Very high	95.1	Very high	26 Å²	26	28.8 Å²	28.8	17%	0.169	15%	0.149	C	C	.	.			trans	-80.7	145	-168.8	33.8	-37	0	0	0	111.7	F373 R457 V467 L471	F373-P469 HydrophobicContact CE2-CG 4.4Å; R457-P469 WeakPolarHBondContact CD-O 3.46Å; R457-P469 PolarHBondContact NH1-O 3.14Å; V467-P469 WeakPolarHBondContact O-CD 3.33Å; P469-L471 VanDerWaalsContact C-N 3.32Å; P469-L471 WeakPolarHBondContact CB-O 3.39Å
470	M	97.3	Very high	95.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-64.6	-39.3	170.3	-174.1	-179.3	78.2	0	0	111.7	A454 R457 T458 S460 P822 I823 Y826	A454-M470 HydrophobicContact CB-CG 4.25Å; R457-M470 HydrophobicContact CB-CG 4.3Å; T458-M470 VanDerWaalsContact O-SD 3.33Å; S460-M470 PolarHBondContact OG-N 3.05Å; M470-P822 VanDerWaalsContact CE-O 3.24Å; M470-P822 WeakPolarHBondContact CE-O 3.45Å; M470-I823 WeakPolarHBondContact CE-O 3.43Å; M470-Y826 PolarHBondContact SD-N 3.37Å
471	L	97.3	Very high	95.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-117	152.8	-176	-60.8	176.7	0	0	0	112.1	F373 V440 V444 A454 P469 L475 S476	F373-L471 VanDerWaalsContact CZ-C 3.44Å; V440-L471 HydrophobicContact CG1-CD1 3.55Å; V440-L471 HydrophobicContact CG2-CD1 4.45Å; V444-L471 HydrophobicContact CG2-CD1 4.49Å; V444-L471 HydrophobicContact CG2-CD2 4.03Å; A454-L471 HydrophobicContact CB-CD2 3.8Å; P469-L471 VanDerWaalsContact C-N 3.32Å; P469-L471 WeakPolarHBondContact CB-O 3.39Å; L471-L475 HydrophobicContact CB-CB 4.49Å; L471-S476 PolarHBondContact O-OG 3.24Å
472	P	96.9	Very high	95.2	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.013	14%	0.14	C	C	.	.			trans	-52.8	144.3	175.7	-27.1	33.9	0	0	0	112.7	F373 L378 L381 L450 I474 L475 S476	F373-P472 HydrophobicContact CD1-CG 3.86Å; F373-P472 HydrophobicContact CD2-CB 4.12Å; F373-P472 HydrophobicContact CD2-CG 3.92Å; F373-P472 HydrophobicContact CE1-CG 3.96Å; F373-P472 HydrophobicContact CE2-CB 4.22Å; F373-P472 HydrophobicContact CE2-CG 4.04Å; F373-P472 HydrophobicContact CG-CB 4.46Å; F373-P472 HydrophobicContact CG-CG 3.84Å; F373-P472 HydrophobicContact CZ-CG 4.05Å; L378-P472 HydrophobicContact CD2-CB 3.79Å; L378-P472 HydrophobicContact CD2-CG 3.67Å; L381-P472 HydrophobicContact CD1-CB 4.48Å; L381-P472 HydrophobicContact CD1-CG 4.18Å; L450-P472 HydrophobicContact CD1-CG 3.75Å; P472-I474 HydrophobicContact CB-CG2 4Å; P472-I474 PolarHBondContact O-N 2.85Å; P472-I474 VanDerWaalsContact O-N 3.12Å; P472-L475 PolarHBondContact O-N 3.37Å; P472-S476 PolarHBondContact O-N 3.45Å; P472-S476 PolarHBondContact O-OG 3.35Å; P472-S476 VanDerWaalsContact O-OG 3.09Å
473	P	95.3	Very high	95.3	Very high	61 Å²	61	24 Å²	24	40%	0.396	13%	0.129	S	C	.	.	H	α-helix	trans	-51.9	-35.2	179	-30.2	36.6	0	0	0	114.5	L475 S476 Q477	P473-L475 PolarHBondContact O-N 2.9Å; P473-S476 WeakPolarHBondContact CA-OG 3.46Å; P473-S476 PolarHBondContact O-N 2.91Å; P473-Q477 WeakPolarHBondContact O-CB 3.25Å; P473-Q477 PolarHBondContact O-N 3.18Å
474	I	96.1	Very high	95.4	Very high	23 Å²	23	25.2 Å²	25.2	12%	0.118	14%	0.138	C	C	.	.	I	π-helix	trans	-58.2	-35.9	176.6	-173	62.3	0	0	0	112.5	L381 P382 P385 P472 H478 L479	L381-I474 HydrophobicContact CD1-CG2 4.04Å; P382-I474 HydrophobicContact CG-CG1 4.14Å; P385-I474 HydrophobicContact CG-CD1 3.87Å; P472-I474 HydrophobicContact CB-CG2 4Å; P472-I474 PolarHBondContact O-N 2.85Å; P472-I474 VanDerWaalsContact O-N 3.12Å; I474-H478 WeakPolarHBondContact O-CB 3.42Å; I474-L479 HydrophobicContact CG1-CD1 4.33Å; I474-L479 HydrophobicContact CG1-CG 4.44Å; I474-L479 WeakPolarHBondContact O-CG 3.28Å; I474-L479 PolarHBondContact O-N 2.91Å
475	L	96.7	Very high	95.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	I	π-helix	trans	-84.2	-52.7	174.6	-64.9	-173.7	0	0	0	111.1	L381 F443 V444 L450 L471 P472 P473 Q477 L479 C480	L381-L475 HydrophobicContact CD1-CD1 4.13Å; L381-L475 HydrophobicContact CD1-CG 4.18Å; L381-L475 HydrophobicContact CD2-CD1 4.13Å; L381-L475 HydrophobicContact CD2-CD2 4.05Å; L381-L475 HydrophobicContact CD2-CG 4.32Å; F443-L475 HydrophobicContact CB-CD1 4.21Å; F443-L475 HydrophobicContact CB-CD2 3.86Å; F443-L475 HydrophobicContact CD1-CD2 4Å; F443-L475 HydrophobicContact CG-CD2 3.98Å; V444-L475 HydrophobicContact CG2-CD1 4.04Å; L450-L475 HydrophobicContact CD2-CD1 3.77Å; L471-L475 HydrophobicContact CB-CB 4.49Å; P472-L475 PolarHBondContact O-N 3.37Å; P473-L475 PolarHBondContact O-N 2.9Å; L475-Q477 PolarHBondContact O-N 2.83Å; L475-L479 HydrophobicContact CD2-CB 4.2Å; L475-L479 HydrophobicContact CD2-CD1 3.95Å; L475-C480 VanDerWaalsContact O-CB 3.24Å; L475-C480 WeakPolarHBondContact O-CB 3.15Å; L475-C480 PolarHBondContact O-N 3.01Å
476	S	95.4	Very high	95.8	Very high	6 Å²	6	30 Å²	30	4%	0.042	16%	0.16	C	C	.	.	I	π-helix	trans	-69.1	-32.6	-169.4	51.6	0	0	0	0	114.3	D416 L471 P472 P473 I823	D416-S476 WeakPolarHBondContact CA-O 3.04Å; D416-S476 WeakPolarHBondContact CB-O 3.31Å; L471-S476 PolarHBondContact O-OG 3.24Å; P472-S476 PolarHBondContact O-N 3.45Å; P472-S476 PolarHBondContact O-OG 3.35Å; P472-S476 VanDerWaalsContact O-OG 3.09Å; P473-S476 WeakPolarHBondContact CA-OG 3.46Å; P473-S476 PolarHBondContact O-N 2.91Å; S476-I823 VanDerWaalsContact CB-CG2 3.4Å
477	Q	94.5	Very high	96.2	Very high	63 Å²	63	28.5 Å²	28.5	29%	0.294	16%	0.155	S	C	.	.	I	π-helix	trans	-107	-9.5	-175.1	-56.7	177	22.9	0	0	113.4	K415 P473 L475	K415-Q477 HydrophobicContact CB-CB 4.34Å; K415-Q477 HydrophobicContact CB-CG 3.96Å; K415-Q477 WeakPolarHBondContact O-CA 3.46Å; P473-Q477 WeakPolarHBondContact O-CB 3.25Å; P473-Q477 PolarHBondContact O-N 3.18Å; L475-Q477 PolarHBondContact O-N 2.83Å
478	H	95.1	Very high	96.4	Very high	77 Å²	77	26.5 Å²	26.5	36%	0.356	14%	0.14	S	C	.	.	I	π-helix	trans	-131.6	-75.7	-174.7	-56.4	-62.9	0	0	0	112.8	P385 I474 R488	P385-H478 HydrophobicContact CB-CB 4.17Å; P385-H478 HydrophobicContact CG-CB 3.82Å; I474-H478 WeakPolarHBondContact O-CB 3.42Å; H478-R488 PolarHBondContact O-NE 3.36Å; H478-R488 PolarHBondContact O-NH2 3.44Å; H478-R488 VanDerWaalsContact O-NH2 3.09Å
479	L	95.9	Very high	96.5	Very high	7 Å²	7	26.4 Å²	26.4	4%	0.037	14%	0.14	C	C	.	.	I	π-helix	trans	-71.2	-39.6	-166.7	-57.9	-174.2	0	0	0	114	P382 F388 F443 I474 L475 R488	P382-L479 HydrophobicContact CG-CD1 3.49Å; P382-L479 VanDerWaalsContact CG-CD1 3.49Å; F388-L479 HydrophobicContact CB-CD1 4.19Å; F388-L479 HydrophobicContact CB-CD2 3.8Å; F388-L479 HydrophobicContact CD1-CD1 4.47Å; F388-L479 HydrophobicContact CD1-CD2 3.83Å; F388-L479 HydrophobicContact CG-CD1 4.19Å; F388-L479 HydrophobicContact CG-CD2 4.06Å; F443-L479 HydrophobicContact CD1-CD1 4.32Å; F443-L479 HydrophobicContact CE1-CB 3.94Å; F443-L479 HydrophobicContact CE1-CD1 3.98Å; F443-L479 HydrophobicContact CZ-CB 3.93Å; I474-L479 HydrophobicContact CG1-CD1 4.33Å; I474-L479 HydrophobicContact CG1-CG 4.44Å; I474-L479 WeakPolarHBondContact O-CG 3.28Å; I474-L479 PolarHBondContact O-N 2.91Å; L475-L479 HydrophobicContact CD2-CB 4.2Å; L475-L479 HydrophobicContact CD2-CD1 3.95Å; L479-R488 WeakPolarHBondContact O-CD 3.31Å
480	C	97.2	Very high	96.6	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	13%	0.132	C	C	.	.	S	Bend	trans	-86.2	-32.9	177.2	-58.7	0	0	0	0	111.6	A438 V440 F443 L475 L482 I823	A438-C480 HydrophobicContact CB-CB 4.46Å; A438-C480 WeakPolarHBondContact CB-O 3.35Å; V440-C480 HydrophobicContact CG2-CB 3.93Å; F443-C480 WeakPolarHBondContact CD2-SG 3.42Å; L475-C480 VanDerWaalsContact O-CB 3.24Å; L475-C480 WeakPolarHBondContact O-CB 3.15Å; L475-C480 PolarHBondContact O-N 3.01Å; C480-L482 PolarHBondContact O-N 2.79Å; C480-I823 HydrophobicContact CB-CD1 4.1Å; C480-I823 HydrophobicContact CB-CG1 3.97Å
481	S	97.8	Very high	96.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-61.5	133.3	-179.3	-177.2	0	0	0	0	111.1	K415 F417 V483 R488	K415-S481 PolarHBondContact O-OG 3.01Å; F417-S481 VanDerWaalsContact CD2-OG 3.26Å; F417-S481 WeakPolarHBondContact CD2-OG 3.49Å; F417-S481 PolarHBondContact N-OG 2.89Å; F417-S481 WeakPolarHBondContact O-CA 3.36Å; S481-V483 PolarHBondContact O-N 3.05Å; S481-R488 WeakPolarHBondContact O-CD 3.5Å; S481-R488 PolarHBondContact O-NE 3.3Å
482	L	98.2	Very high	96.7	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.132	C	C	.	.			trans	-77.8	52.8	-179.2	-56.2	-177.1	0	0	0	112.2	T408 F417 D418 A420 H436 A438 C480 R488 I513	T408-L482 HydrophobicContact CG2-CB 4.16Å; T408-L482 WeakPolarHBondContact CG2-O 3.42Å; F417-L482 HydrophobicContact CB-CB 4.4Å; F417-L482 PolarHBondContact O-N 2.92Å; D418-L482 WeakPolarHBondContact O-CD1 3.44Å; A420-L482 HydrophobicContact CB-CD1 3.75Å; H436-L482 WeakPolarHBondContact O-CD1 2.97Å; A438-L482 HydrophobicContact CB-CD2 4.4Å; A438-L482 HydrophobicContact CB-CG 4.41Å; C480-L482 PolarHBondContact O-N 2.79Å; L482-R488 HydrophobicContact CD2-CB 3.85Å; L482-I513 HydrophobicContact CB-CD1 4.49Å; L482-I513 HydrophobicContact CD1-CD1 3.9Å; L482-I513 HydrophobicContact CD2-CD1 3.85Å; L482-I513 HydrophobicContact CD2-CG1 4.47Å; L482-I513 HydrophobicContact CG-CD1 4.29Å
483	V	96.3	Very high	96.7	Very high	21 Å²	21	25.1 Å²	25.1	13%	0.127	13%	0.131	C	C	.	.			trans	-58.3	148.2	-177.9	-56.6	0	0	0	0	111.9	F417 S481 E486	F417-V483 HydrophobicContact CD2-CG1 4.27Å; F417-V483 HydrophobicContact CE2-CG1 4.37Å; S481-V483 PolarHBondContact O-N 3.05Å; V483-E486 HydrophobicContact CG2-CB 4.01Å; V483-E486 HydrophobicContact CG2-CG 4.19Å
484	P	95.8	Very high	96.9	Very high	40 Å²	40	22.7 Å²	22.7	26%	0.26	12%	0.115	S	C	.	.	B	Isolated β-bridge	trans	-68.9	152	-179.5	29.9	-35.8	0	0	0	111.8	E486 S515 R518	P484-E486 PolarHBondContact O-N 2.85Å; P484-S515 CarbonylContact C-O 3.54Å; P484-S515 WeakPolarHBondContact CA-O 3.32Å; P484-R518 HydrophobicContact CB-CB 4.35Å; P484-R518 HydrophobicContact CG-CB 3.99Å
485	N	95.5	Very high	97	Very high	75 Å²	75	21.6 Å²	21.6	40%	0.401	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	24.4	173	-46.8	-29.6	0	0	0	114.3	R514 S515 R516 E551	N485-R514 PolarHBondContact O-NH1 3.48Å; N485-R514 VanDerWaalsContact O-NH1 3.1Å; N485-R514 PolarHBondContact O-NH2 3.45Å; N485-S515 PolarHBondContact N-O 2.93Å; N485-R516 PolarHBondContact OD1-O 2.98Å; N485-E551 VanDerWaalsContact OD1-CB 3.31Å; N485-E551 WeakPolarHBondContact OD1-CB 3.48Å
486	E	95.6	Very high	97	Very high	92 Å²	92	22.5 Å²	22.5	43%	0.43	12%	0.115	S	C	.	.	S	Bend	trans	-135.4	148.5	172	-62.3	-173.3	-158.8	0	0	110.8	V483 P484 R488	V483-E486 HydrophobicContact CG2-CB 4.01Å; V483-E486 HydrophobicContact CG2-CG 4.19Å; P484-E486 PolarHBondContact O-N 2.85Å; E486-R488 VanDerWaalsContact CB-NH1 3.3Å; E486-R488 IonicContact OE2-CZ 3.54Å; E486-R488 IonicContact OE2-NH1 3.71Å; E486-R488 PolarHBondContact OE2-NH1 3.26Å; E486-R488 IonicContact OE2-NH2 3.56Å; E486-R488 PolarHBondContact OE2-NH2 3.01Å
487	D	97.6	Very high	97.1	Very high	30 Å²	30	22.3 Å²	22.3	16%	0.16	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	133	173.9	-70.3	13.6	0	0	0	108.5	I390 Y395 R402 I512 I513 R514	I390-D487 HydrophobicContact CD1-CB 4.06Å; Y395-D487 WeakPolarHBondContact CE1-OD2 3.45Å; Y395-D487 PolarHBondContact OH-OD2 2.74Å; R402-D487 VanDerWaalsContact CD-CG 3.49Å; R402-D487 WeakPolarHBondContact CD-OD2 3.31Å; R402-D487 IonicContact CZ-OD2 3.7Å; R402-D487 IonicContact NE-OD2 3.85Å; R402-D487 IonicContact NH1-OD2 2.71Å; R402-D487 PolarHBondContact NH1-OD2 2.85Å; D487-I512 HydrophobicContact CB-CD1 4.31Å; D487-I513 WeakPolarHBondContact CA-O 3.49Å; D487-R514 IonicContact OD1-NH1 2.69Å; D487-R514 PolarHBondContact OD1-NH1 3.14Å; D487-R514 VanDerWaalsContact OD1-NH1 3.14Å
488	R	97.9	Very high	97.1	Very high	26 Å²	26	23 Å²	23	10%	0.098	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.2	-178.5	-73	-66.3	-176.2	-85.1	2.9	111.9	H478 L479 S481 L482 E486 I512 I513	H478-R488 PolarHBondContact O-NE 3.36Å; H478-R488 PolarHBondContact O-NH2 3.44Å; H478-R488 VanDerWaalsContact O-NH2 3.09Å; L479-R488 WeakPolarHBondContact O-CD 3.31Å; S481-R488 WeakPolarHBondContact O-CD 3.5Å; S481-R488 PolarHBondContact O-NE 3.3Å; L482-R488 HydrophobicContact CD2-CB 3.85Å; E486-R488 VanDerWaalsContact CB-NH1 3.3Å; E486-R488 IonicContact OE2-CZ 3.54Å; E486-R488 IonicContact OE2-NH1 3.71Å; E486-R488 PolarHBondContact OE2-NH1 3.26Å; E486-R488 IonicContact OE2-NH2 3.56Å; E486-R488 PolarHBondContact OE2-NH2 3.01Å; R488-I512 WeakPolarHBondContact O-CA 3.28Å; R488-I513 HydrophobicContact CB-CG1 4.35Å; R488-I513 PolarHBondContact N-O 2.96Å; R488-I513 PolarHBondContact O-N 2.9Å
489	L	97.8	Very high	97.1	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	127.7	175.2	-60	-176.4	0	0	0	109.3	I390 E394 D439 Y442 F443 I512	I390-L489 HydrophobicContact CD1-CD2 4.04Å; I390-L489 HydrophobicContact CD1-CG 4.18Å; I390-L489 HydrophobicContact CG1-CD2 4.38Å; I390-L489 HydrophobicContact CG1-CG 4.35Å; I390-L489 HydrophobicContact CG2-CD2 3.82Å; E394-L489 HydrophobicContact CB-CD2 4.32Å; D439-L489 HydrophobicContact CB-CB 4.16Å; D439-L489 PolarHBondContact N-O 3.22Å; D439-L489 VanDerWaalsContact N-O 3.1Å; Y442-L489 HydrophobicContact CD1-CD1 3.51Å; Y442-L489 HydrophobicContact CD2-CD1 4.02Å; Y442-L489 HydrophobicContact CE1-CD1 3.65Å; Y442-L489 HydrophobicContact CE2-CD1 4.12Å; Y442-L489 HydrophobicContact CG-CD1 3.71Å; F443-L489 HydrophobicContact CZ-CD1 4.49Å; L489-I512 HydrophobicContact CD2-CD1 4.38Å; L489-I512 HydrophobicContact CD2-CG1 4.45Å
490	A	98.3	Very high	97	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	160.3	-179.8	0	0	0	0	0	111.9	R398 H436 I437 S511 I513	R398-A490 PolarHBondContact NH1-O 3.29Å; H436-A490 HydrophobicContact CB-CB 4.1Å; I437-A490 CarbonylContact O-C 3.37Å; I437-A490 WeakPolarHBondContact O-CA 2.97Å; I437-A490 WeakPolarHBondContact O-CB 3.23Å; A490-S511 WeakPolarHBondContact CB-OG 3.46Å; A490-S511 PolarHBondContact N-O 3.45Å; A490-S511 PolarHBondContact O-N 3.36Å; A490-S511 VanDerWaalsContact O-O 3.07Å; A490-S511 PolarHBondContact O-OG 2.93Å; A490-I513 HydrophobicContact CB-CD1 4.21Å; A490-I513 HydrophobicContact CB-CG1 4.39Å; A490-I513 HydrophobicContact CB-CG2 4.1Å
491	F	97.7	Very high	96.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.5	163.7	-153.7	-40.3	0	0	0	106.9	I437 G509 F819 H832 I835 A836 L839	I437-F491 PolarHBondContact N-O 3.38Å; I437-F491 PolarHBondContact O-N 3.3Å; F491-G509 WeakPolarHBondContact CD1-O 3.4Å; F491-F819 HydrophobicContact CB-CE2 4.47Å; F491-F819 HydrophobicContact CB-CZ 4.01Å; F491-F819 HydrophobicContact CD1-CE2 4.35Å; F491-F819 AromaticContact CD1-CZ 3.95Å; F491-F819 HydrophobicContact CD1-CZ 3.95Å; F491-F819 HydrophobicContact CD2-CE2 4.36Å; F491-F819 HydrophobicContact CG-CE2 4.14Å; F491-F819 AromaticContact CG-CZ 3.93Å; F491-F819 HydrophobicContact CG-CZ 3.93Å; F491-H832 HydrophobicContact CD2-CB 4.43Å; F491-H832 AromaticContact CD2-ND1 3.79Å; F491-I835 HydrophobicContact CE1-CG2 3.92Å; F491-I835 HydrophobicContact CE2-CB 4.24Å; F491-I835 HydrophobicContact CE2-CG2 4.36Å; F491-I835 HydrophobicContact CZ-CB 3.79Å; F491-I835 HydrophobicContact CZ-CG2 3.44Å; F491-I835 VanDerWaalsContact CZ-CG2 3.44Å; F491-A836 HydrophobicContact CE2-CB 4Å; F491-L839 HydrophobicContact CE1-CD1 4.06Å; F491-L839 HydrophobicContact CZ-CD1 3.92Å
492	S	98.6	Very high	96.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	148.3	-171.4	-60.8	0	0	0	0	113.9	I435 H436 G509 S511	I435-S492 CarbonylContact O-C 3.54Å; I435-S492 VanDerWaalsContact O-CA 3.27Å; I435-S492 WeakPolarHBondContact O-CA 3.48Å; H436-S492 PolarHBondContact ND1-OG 2.85Å; S492-G509 PolarHBondContact N-O 3.44Å; S492-G509 PolarHBondContact O-N 2.96Å; S492-S511 WeakPolarHBondContact OG-CB 3.44Å; S492-S511 PolarHBondContact OG-OG 2.97Å
493	I	98.4	Very high	96.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.2	166.8	-49.3	173.2	0	0	0	106.2	I435 L495 W507 F508 A636 V640 F819	I435-I493 HydrophobicContact CB-CB 4.47Å; I435-I493 PolarHBondContact N-O 3.44Å; I435-I493 PolarHBondContact O-N 3.3Å; I493-L495 HydrophobicContact CG2-CD2 3.57Å; I493-L495 HydrophobicContact CG2-CG 4Å; I493-W507 CarbonylContact C-O 3.57Å; I493-W507 VanDerWaalsContact CA-O 3.31Å; I493-W507 WeakPolarHBondContact CA-O 3.31Å; I493-F508 HydrophobicContact CD1-CD1 4.47Å; I493-F508 HydrophobicContact CD1-CE1 4.21Å; I493-F508 HydrophobicContact CG1-CD1 3.91Å; I493-F508 HydrophobicContact CG1-CE1 4.06Å; I493-F508 HydrophobicContact CG2-CD1 4.16Å; I493-F508 HydrophobicContact CG2-CE1 3.87Å; I493-F508 HydrophobicContact CG2-CZ 4.44Å; I493-A636 HydrophobicContact CD1-CB 3.68Å; I493-A636 WeakPolarHBondContact CD1-O 3.37Å; I493-V640 HydrophobicContact CD1-CG2 3.69Å; I493-F819 HydrophobicContact CD1-CD1 4Å; I493-F819 HydrophobicContact CD1-CE1 3.72Å; I493-F819 HydrophobicContact CG1-CE1 4Å
494	L	98.4	Very high	96.4	Very high	9 Å²	9	31.6 Å²	31.6	5%	0.047	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.2	175.2	-166.6	70.6	0	0	0	107.8	F401 Q432 V433 E506 W507	F401-L494 HydrophobicContact CE1-CD1 4.06Å; F401-L494 HydrophobicContact CE1-CD2 4.45Å; F401-L494 HydrophobicContact CZ-CD1 4.19Å; F401-L494 HydrophobicContact CZ-CD2 4.33Å; Q432-L494 HydrophobicContact CG-CD1 3.49Å; Q432-L494 VanDerWaalsContact CG-CD1 3.49Å; Q432-L494 HydrophobicContact CG-CD2 4.1Å; Q432-L494 HydrophobicContact CG-CG 3.66Å; V433-L494 WeakPolarHBondContact O-CA 3.31Å; L494-E506 CarbonylContact O-C 3.58Å; L494-E506 WeakPolarHBondContact O-CA 3.41Å; L494-W507 HydrophobicContact CB-CB 4.18Å; L494-W507 HydrophobicContact CB-CE3 3.92Å; L494-W507 PolarHBondContact N-O 3.25Å; L494-W507 PolarHBondContact O-N 3.39Å
495	L	97.8	Very high	96.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.5	-175.7	-56.1	175.9	0	0	0	109.4	Q432 V433 I435 I493 V497 I503 E506 W632 V635	Q432-L495 CarbonylContact C-O 3.44Å; Q432-L495 WeakPolarHBondContact CA-O 3.42Å; V433-L495 PolarHBondContact N-O 3.39Å; V433-L495 PolarHBondContact O-N 3.37Å; I435-L495 HydrophobicContact CD1-CD1 3.81Å; I493-L495 HydrophobicContact CG2-CD2 3.57Å; I493-L495 HydrophobicContact CG2-CG 4Å; L495-V497 HydrophobicContact CB-CG1 3.84Å; L495-I503 HydrophobicContact CD2-CG2 4.31Å; L495-E506 HydrophobicContact CD2-CB 4.08Å; L495-E506 HydrophobicContact CD2-CG 3.64Å; L495-E506 WeakPolarHBondContact CD2-OE1 3.39Å; L495-W632 HydrophobicContact CD1-CZ3 4.33Å; L495-V635 HydrophobicContact CD1-CG1 3.4Å; L495-V635 VanDerWaalsContact CD1-CG1 3.4Å
496	T	97.4	Very high	96.3	Very high	20 Å²	20	31.6 Å²	31.6	12%	0.123	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	115.4	163.9	-57	0	0	0	0	107.7	L426 L430 Y431 V504 D505	L426-T496 HydrophobicContact CD1-CG2 4.13Å; L430-T496 HydrophobicContact CB-CG2 4.23Å; L430-T496 HydrophobicContact CD1-CG2 4.04Å; L430-T496 HydrophobicContact CD2-CG2 4.49Å; L430-T496 HydrophobicContact CG-CG2 4.49Å; Y431-T496 CarbonylContact O-C 3.58Å; Y431-T496 WeakPolarHBondContact O-CA 3.27Å; T496-V504 HydrophobicContact CG2-CB 4.36Å; T496-V504 PolarHBondContact O-N 3.21Å; T496-D505 PolarHBondContact N-O 3.42Å; T496-D505 PolarHBondContact O-N 3.43Å
497	V	96.7	Very high	96.3	Very high	2 Å²	2	31 Å²	31	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.5	-171.8	-62.9	0	0	0	0	111.4	Y431 V433 L495 E502 I503 I569 W632	Y431-V497 PolarHBondContact N-O 3.25Å; Y431-V497 PolarHBondContact O-N 3.22Å; V433-V497 HydrophobicContact CG2-CG2 3.84Å; L495-V497 HydrophobicContact CB-CG1 3.84Å; V497-E502 WeakPolarHBondContact CA-O 3.3Å; V497-I503 HydrophobicContact CG1-CG1 4.07Å; V497-I569 HydrophobicContact CG2-CD1 4.1Å; V497-W632 HydrophobicContact CG2-CH2 4.32Å
498	K	95.9	Very high	96.2	Very high	76 Å²	76	30.6 Å²	30.6	33%	0.33	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	163.5	166.2	-68.3	179.2	-165.6	165.1	0	110	L430 N500 G501 E502 V504	L430-K498 HydrophobicContact CD2-CG 3.63Å; K498-N500 WeakPolarHBondContact CB-OD1 3.36Å; K498-N500 PolarHBondContact O-N 3.46Å; K498-G501 PolarHBondContact O-N 2.92Å; K498-E502 HydrophobicContact CB-CB 4.36Å; K498-E502 HydrophobicContact CD-CB 4.24Å; K498-E502 WeakPolarHBondContact CD-OE2 3.39Å; K498-E502 PolarHBondContact N-O 2.86Å; K498-E502 IonicContact NZ-OE1 3.84Å; K498-E502 PolarHBondContact NZ-OE1 2.76Å; K498-E502 IonicContact NZ-OE2 3.94Å; K498-E502 PolarHBondContact NZ-OE2 3.12Å; K498-V504 HydrophobicContact CG-CG2 4.06Å
499	E	95.3	Very high	96.1	Very high	89 Å²	89	29.6 Å²	29.6	42%	0.416	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.3	177.9	-165.7	171	131.8	0	0	113.2	Y431 G501 L568 N572	Y431-E499 HydrophobicContact CE2-CB 4.12Å; Y431-E499 HydrophobicContact CE2-CG 4.41Å; E499-G501 PolarHBondContact O-N 3.21Å; E499-L568 HydrophobicContact CG-CD2 3.91Å; E499-L568 HydrophobicContact CG-CG 4.39Å; E499-N572 PolarHBondContact O-ND2 3.18Å
500	N	94	Very high	96	Very high	72 Å²	72	30.2 Å²	30.2	39%	0.385	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-2.2	175.9	71	-11.3	0	0	0	114.2	K498 E502	K498-N500 WeakPolarHBondContact CB-OD1 3.36Å; K498-N500 PolarHBondContact O-N 3.46Å; N500-E502 VanDerWaalsContact OD1-CB 3.3Å; N500-E502 WeakPolarHBondContact OD1-CB 3.35Å; N500-E502 PolarHBondContact OD1-N 2.92Å
501	G	93.7	Very high	96	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.01	15%	0.148	C	C	.	.	S	Bend	trans	91.2	-2.4	-178.7	0	0	0	0	0	115.4	K498 E499 I503 L573	K498-G501 PolarHBondContact O-N 2.92Å; E499-G501 PolarHBondContact O-N 3.21Å; G501-I503 PolarHBondContact O-N 2.71Å; G501-L573 WeakPolarHBondContact O-CD2 3.49Å
502	E	93.1	Very high	96	Very high	46 Å²	46	30.2 Å²	30.2	22%	0.215	15%	0.148	C	C	.	.			trans	-65.8	127	176	-173	-165.4	142.2	0	0	110.8	V497 K498 N500 F789	V497-E502 WeakPolarHBondContact CA-O 3.3Å; K498-E502 HydrophobicContact CB-CB 4.36Å; K498-E502 HydrophobicContact CD-CB 4.24Å; K498-E502 WeakPolarHBondContact CD-OE2 3.39Å; K498-E502 PolarHBondContact N-O 2.86Å; K498-E502 IonicContact NZ-OE1 3.84Å; K498-E502 PolarHBondContact NZ-OE1 2.76Å; K498-E502 IonicContact NZ-OE2 3.94Å; K498-E502 PolarHBondContact NZ-OE2 3.12Å; N500-E502 VanDerWaalsContact OD1-CB 3.3Å; N500-E502 WeakPolarHBondContact OD1-CB 3.35Å; N500-E502 PolarHBondContact OD1-N 2.92Å; E502-F789 HydrophobicContact CB-CD2 4.43Å; E502-F789 HydrophobicContact CB-CE2 4.22Å
503	I	94.3	Very high	96	Very high	25 Å²	25	30.2 Å²	30.2	13%	0.128	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	118.7	178.6	-53.6	170.7	0	0	0	109.4	L495 V497 G501 E506 V635	L495-I503 HydrophobicContact CD2-CG2 4.31Å; V497-I503 HydrophobicContact CG1-CG1 4.07Å; G501-I503 PolarHBondContact O-N 2.71Å; I503-E506 HydrophobicContact CG2-CG 3.6Å; I503-V635 HydrophobicContact CD1-CG1 3.76Å
504	V	93.7	Very high	96	Very high	55 Å²	55	32.7 Å²	32.7	33%	0.333	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-41.9	-178.1	-176.2	0	0	0	0	111.2	L430 T496 K498 R785	L430-V504 HydrophobicContact CD2-CG2 4.08Å; T496-V504 HydrophobicContact CG2-CB 4.36Å; T496-V504 PolarHBondContact O-N 3.21Å; K498-V504 HydrophobicContact CG-CG2 4.06Å; V504-R785 PolarHBondContact O-NE 3.41Å; V504-R785 PolarHBondContact O-NH2 3.44Å
505	D	94.1	Very high	96	Very high	85 Å²	85	32.3 Å²	32.3	46%	0.455	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	155.5	-176.2	-172.5	37	0	0	0	111.9	T496	T496-D505 PolarHBondContact N-O 3.42Å; T496-D505 PolarHBondContact O-N 3.43Å
506	E	95.3	Very high	95.9	Very high	31 Å²	31	33.3 Å²	33.3	15%	0.145	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	137.4	-175.2	-52.3	-172.9	116.5	0	0	111.6	L494 L495 I503 F508 S639 R642	L494-E506 CarbonylContact O-C 3.58Å; L494-E506 WeakPolarHBondContact O-CA 3.41Å; L495-E506 HydrophobicContact CD2-CB 4.08Å; L495-E506 HydrophobicContact CD2-CG 3.64Å; L495-E506 WeakPolarHBondContact CD2-OE1 3.39Å; I503-E506 HydrophobicContact CG2-CG 3.6Å; E506-F508 HydrophobicContact CB-CE2 4.07Å; E506-F508 HydrophobicContact CB-CZ 4.39Å; E506-S639 WeakPolarHBondContact OE1-CB 3.28Å; E506-S639 PolarHBondContact OE1-OG 3.19Å; E506-R642 IonicContact OE1-CZ 3.88Å; E506-R642 IonicContact OE1-NH2 3.72Å; E506-R642 PolarHBondContact OE1-NH2 3.4Å; E506-R642 IonicContact OE2-NE 3.74Å; E506-R642 IonicContact OE2-NH2 3.6Å
507	W	96.6	Very high	95.9	Very high	80 Å²	80	32.5 Å²	32.5	30%	0.303	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.3	170.4	172.7	94	0	0	0	110.5	R399 F401 I493 L494 G509	R399-W507 HydrophobicContact CB-CH2 3.76Å; R399-W507 HydrophobicContact CB-CZ2 4.17Å; R399-W507 HydrophobicContact CG-CH2 4.33Å; F401-W507 HydrophobicContact CE2-CZ3 4.31Å; F401-W507 HydrophobicContact CZ-CZ3 4.45Å; I493-W507 CarbonylContact C-O 3.57Å; I493-W507 VanDerWaalsContact CA-O 3.31Å; I493-W507 WeakPolarHBondContact CA-O 3.31Å; L494-W507 HydrophobicContact CB-CB 4.18Å; L494-W507 HydrophobicContact CB-CE3 3.92Å; L494-W507 PolarHBondContact N-O 3.25Å; L494-W507 PolarHBondContact O-N 3.39Å; W507-G509 VanDerWaalsContact CH2-CA 3.44Å
508	F	96.1	Very high	95.8	Very high	20 Å²	20	35.7 Å²	35.7	9%	0.088	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.1	177.3	-56.4	-93.3	0	0	0	109.5	I493 E506 S639 V640 F643 L839	I493-F508 HydrophobicContact CD1-CD1 4.47Å; I493-F508 HydrophobicContact CD1-CE1 4.21Å; I493-F508 HydrophobicContact CG1-CD1 3.91Å; I493-F508 HydrophobicContact CG1-CE1 4.06Å; I493-F508 HydrophobicContact CG2-CD1 4.16Å; I493-F508 HydrophobicContact CG2-CE1 3.87Å; I493-F508 HydrophobicContact CG2-CZ 4.44Å; E506-F508 HydrophobicContact CB-CE2 4.07Å; E506-F508 HydrophobicContact CB-CZ 4.39Å; F508-S639 WeakPolarHBondContact CZ-O 3.42Å; F508-V640 HydrophobicContact CD1-CG2 4.33Å; F508-V640 HydrophobicContact CE1-CG2 3.95Å; F508-F643 AromaticContact CD2-CD2 3.65Å; F508-F643 HydrophobicContact CD2-CD2 3.65Å; F508-F643 HydrophobicContact CD2-CE2 4.1Å; F508-F643 HydrophobicContact CD2-CG 4.18Å; F508-F643 HydrophobicContact CE1-CB 4.35Å; F508-F643 HydrophobicContact CE2-CB 3.97Å; F508-F643 AromaticContact CE2-CD2 3.7Å; F508-F643 HydrophobicContact CE2-CD2 3.7Å; F508-F643 HydrophobicContact CE2-CG 4.1Å; F508-F643 HydrophobicContact CG-CD2 4.37Å; F508-F643 HydrophobicContact CZ-CB 3.88Å; F508-F643 HydrophobicContact CZ-CD2 4.44Å; F508-F643 HydrophobicContact CZ-CG 4.4Å; F508-L839 HydrophobicContact CB-CD1 4.01Å
509	G	95.3	Very high	95.9	Very high	5 Å²	5	32 Å²	32	5%	0.052	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.1	167.8	171.1	0	0	0	0	0	114.8	F491 S492 W507	F491-G509 WeakPolarHBondContact CD1-O 3.4Å; S492-G509 PolarHBondContact N-O 3.44Å; S492-G509 PolarHBondContact O-N 2.96Å; W507-G509 VanDerWaalsContact CH2-CA 3.44Å
510	R	96.1	Very high	95.9	Very high	17 Å²	17	28.4 Å²	28.4	6%	0.064	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	137.6	173.1	-72.8	-172.9	-178.1	-142.2	10	110.5	R398 R399 D439 S441 C841 D842	R398-R510 HydrophobicContact CG-CB 4.14Å; R399-R510 PolarHBondContact N-O 2.99Å; R399-R510 VanDerWaalsContact N-O 3.11Å; D439-R510 IonicContact OD1-CZ 3.07Å; D439-R510 IonicContact OD1-NH1 2.8Å; D439-R510 IonicContact OD2-CZ 2.95Å; D439-R510 IonicContact OD2-NE 3.14Å; D439-R510 IonicContact OD2-NH1 2.7Å; D439-R510 PolarHBondContact OD2-NH1 3.08Å; S441-R510 PolarHBondContact OG-NH2 3.22Å; S441-R510 VanDerWaalsContact OG-NH2 3.09Å; R510-C841 HydrophobicContact CG-CB 4.45Å; R510-D842 IonicContact NH2-OD1 3.17Å; R510-D842 PolarHBondContact NH2-OD1 3.47Å
511	S	97.7	Very high	96	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	168.7	-174.6	70	0	0	0	0	111.9	R398 R399 A490 S492	R398-S511 WeakPolarHBondContact CD-O 3.48Å; R398-S511 PolarHBondContact NH1-O 3.41Å; R399-S511 CarbonylContact O-C 3.59Å; R399-S511 WeakPolarHBondContact O-CA 3.46Å; R399-S511 WeakPolarHBondContact O-CB 3.37Å; A490-S511 WeakPolarHBondContact CB-OG 3.46Å; A490-S511 PolarHBondContact N-O 3.45Å; A490-S511 PolarHBondContact O-N 3.36Å; A490-S511 VanDerWaalsContact O-O 3.07Å; A490-S511 PolarHBondContact O-OG 2.93Å; S492-S511 WeakPolarHBondContact OG-CB 3.44Å; S492-S511 PolarHBondContact OG-OG 2.97Å
512	I	98.3	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.3	166.7	-167.3	168.1	0	0	0	109	I390 Y395 R399 D400 F401 R402 D487 R488 L489	I390-I512 HydrophobicContact CD1-CD1 3.96Å; I390-I512 HydrophobicContact CG2-CD1 4.34Å; Y395-I512 HydrophobicContact CD1-CD1 3.47Å; Y395-I512 VanDerWaalsContact CD1-CD1 3.47Å; Y395-I512 HydrophobicContact CE1-CD1 3.17Å; Y395-I512 HydrophobicContact CE2-CD1 4.42Å; Y395-I512 HydrophobicContact CG-CD1 4.22Å; R399-I512 PolarHBondContact O-N 3.11Å; D400-I512 HydrophobicContact CB-CG2 4.08Å; F401-I512 PolarHBondContact N-O 3.49Å; R402-I512 HydrophobicContact CG-CG2 4.41Å; D487-I512 HydrophobicContact CB-CD1 4.31Å; R488-I512 WeakPolarHBondContact O-CA 3.28Å; L489-I512 HydrophobicContact CD2-CD1 4.38Å; L489-I512 HydrophobicContact CD2-CG1 4.45Å
513	I	98.4	Very high	96.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	166.4	-176.7	73.7	176.2	0	0	0	110.2	F401 V406 A420 H436 L482 D487 R488 A490	F401-I513 HydrophobicContact CB-CG2 4.25Å; V406-I513 HydrophobicContact CG1-CD1 4.13Å; A420-I513 HydrophobicContact CB-CD1 4.01Å; H436-I513 HydrophobicContact CB-CD1 3.79Å; H436-I513 HydrophobicContact CB-CG2 4Å; L482-I513 HydrophobicContact CB-CD1 4.49Å; L482-I513 HydrophobicContact CD1-CD1 3.9Å; L482-I513 HydrophobicContact CD2-CD1 3.85Å; L482-I513 HydrophobicContact CD2-CG1 4.47Å; L482-I513 HydrophobicContact CG-CD1 4.29Å; D487-I513 WeakPolarHBondContact CA-O 3.49Å; R488-I513 HydrophobicContact CB-CG1 4.35Å; R488-I513 PolarHBondContact N-O 2.96Å; R488-I513 PolarHBondContact O-N 2.9Å; A490-I513 HydrophobicContact CB-CD1 4.21Å; A490-I513 HydrophobicContact CB-CG1 4.39Å; A490-I513 HydrophobicContact CB-CG2 4.1Å
514	R	98.3	Very high	96.2	Very high	52 Å²	52	31.2 Å²	31.2	20%	0.196	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	105.6	167.4	-177.9	176.2	-175.5	80.6	4.3	107.7	R402 N485 D487 R516 E551	R402-R514 HydrophobicContact CB-CB 4.13Å; R402-R514 HydrophobicContact CG-CB 4.03Å; N485-R514 PolarHBondContact O-NH1 3.48Å; N485-R514 VanDerWaalsContact O-NH1 3.1Å; N485-R514 PolarHBondContact O-NH2 3.45Å; D487-R514 IonicContact OD1-NH1 2.69Å; D487-R514 PolarHBondContact OD1-NH1 3.14Å; D487-R514 VanDerWaalsContact OD1-NH1 3.14Å; R514-R516 PolarHBondContact O-N 2.64Å; R514-E551 IonicContact CZ-OE1 2.81Å; R514-E551 IonicContact CZ-OE2 2.64Å; R514-E551 IonicContact NE-OE1 3.66Å; R514-E551 PolarHBondContact NE-OE1 3.49Å; R514-E551 IonicContact NE-OE2 3.19Å; R514-E551 PolarHBondContact NE-OE2 3.38Å; R514-E551 IonicContact NH2-OE1 3.54Å; R514-E551 PolarHBondContact NH2-OE1 3.06Å; R514-E551 IonicContact NH2-OE2 2.67Å; R514-E551 PolarHBondContact NH2-OE2 2.79Å
515	S	97.8	Very high	96.3	Very high	1 Å²	1	31 Å²	31	1%	0.007	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	125	176.3	173.9	0	0	0	0	108.7	V406 P484 N485 C517	V406-S515 CarbonylContact O-C 3.56Å; V406-S515 WeakPolarHBondContact O-CA 3.44Å; P484-S515 CarbonylContact C-O 3.54Å; P484-S515 WeakPolarHBondContact CA-O 3.32Å; N485-S515 PolarHBondContact N-O 2.93Å; S515-C517 PolarHBondContact OG-O 3.36Å
516	R	96.8	Very high	96.2	Very high	21 Å²	21	28.5 Å²	28.5	8%	0.079	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-26.2	-175.3	-58.4	-55.4	-170.5	151	12.3	112	R402 V406 N485 R514 P550 E551 A552 F554	R402-R516 PolarHBondContact O-NH2 3.01Å; V406-R516 PolarHBondContact O-N 2.95Å; N485-R516 PolarHBondContact OD1-O 2.98Å; R514-R516 PolarHBondContact O-N 2.64Å; R516-P550 HydrophobicContact CB-CB 4.05Å; R516-P550 CarbonylContact O-C 3.54Å; R516-P550 WeakPolarHBondContact O-CA 3.38Å; R516-E551 IonicContact CZ-OE2 2.74Å; R516-E551 IonicContact NH1-OE2 3.61Å; R516-E551 PolarHBondContact NH1-OE2 3.05Å; R516-E551 PolarHBondContact O-N 3.36Å; R516-A552 PolarHBondContact NH1-O 3.5Å; R516-F554 HydrophobicContact CB-CD2 4.39Å; R516-F554 HydrophobicContact CG-CD2 3.66Å; R516-F554 HydrophobicContact CG-CE2 3.89Å
517	C	95.5	Very high	96	Very high	4 Å²	4	27 Å²	27	3%	0.027	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	152.4	169.2	59.2	0	0	0	0	110.6	I407 T408 S515	I407-C517 WeakPolarHBondContact CG2-SG 3.44Å; T408-C517 PolarHBondContact N-O 3.27Å; T408-C517 VanDerWaalsContact N-O 3.16Å; S515-C517 PolarHBondContact OG-O 3.36Å
518	R	96	Very high	95.8	Very high	68 Å²	68	23.2 Å²	23.2	26%	0.257	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.9	166.3	178.2	-136.4	171.7	-159.5	1.3	108	T408 P411 K412 F417 P484	T408-R518 WeakPolarHBondContact OG1-CG 3.49Å; P411-R518 PolarHBondContact O-NH2 3.16Å; K412-R518 PolarHBondContact O-NH2 3.01Å; F417-R518 HydrophobicContact CE1-CG 4.32Å; F417-R518 HydrophobicContact CE2-CG 4.33Å; F417-R518 HydrophobicContact CZ-CG 4.05Å; F417-R518 VanDerWaalsContact CZ-NE 3.31Å; P484-R518 HydrophobicContact CB-CB 4.35Å; P484-R518 HydrophobicContact CG-CB 3.99Å
519	L	97.3	Very high	95.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	151.8	175.9	-60.4	173.5	0	0	0	110.4	T408 I409 D410 E523 A524 I527 P548 L559 L563	T408-L519 PolarHBondContact O-N 2.88Å; I409-L519 WeakPolarHBondContact CA-O 3.18Å; I409-L519 HydrophobicContact CG1-CB 4.33Å; I409-L519 HydrophobicContact CG1-CD1 4.46Å; D410-L519 PolarHBondContact N-O 2.91Å; L519-E523 HydrophobicContact CD2-CB 4.37Å; L519-A524 HydrophobicContact CB-CB 4.33Å; L519-A524 HydrophobicContact CD1-CB 4.15Å; L519-I527 HydrophobicContact CD1-CD1 4.16Å; L519-I527 HydrophobicContact CD2-CD1 3.88Å; L519-P548 HydrophobicContact CD2-CB 3.91Å; L519-P548 HydrophobicContact CD2-CG 3.88Å; L519-L559 HydrophobicContact CD1-CD1 4.21Å; L519-L559 HydrophobicContact CD2-CD2 4.49Å; L519-L563 HydrophobicContact CD1-CD1 3.78Å; L519-L563 HydrophobicContact CD1-CD2 4.19Å; L519-L563 HydrophobicContact CD1-CG 4.46Å
520	T	96.5	Very high	94.9	Very high	13 Å²	13	26.7 Å²	26.7	8%	0.08	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	162.7	159.3	63.6	0	0	0	0	110.9	D410 K412 D522 E523 A524	D410-T520 VanDerWaalsContact O-CA 3.29Å; D410-T520 WeakPolarHBondContact O-CA 3.42Å; K412-T520 HydrophobicContact CB-CG2 4.02Å; K412-T520 HydrophobicContact CG-CG2 4.28Å; T520-D522 PolarHBondContact O-N 2.67Å; T520-E523 WeakPolarHBondContact CG2-OE2 3.46Å; T520-E523 PolarHBondContact N-OE2 2.78Å; T520-E523 PolarHBondContact O-N 3.32Å; T520-E523 WeakPolarHBondContact OG1-CB 3.48Å; T520-E523 WeakPolarHBondContact OG1-CG 3.27Å; T520-E523 PolarHBondContact OG1-N 2.97Å; T520-E523 PolarHBondContact OG1-OE2 3.14Å; T520-A524 WeakPolarHBondContact O-CB 3.5Å; T520-A524 PolarHBondContact O-N 2.85Å
521	Y	96.1	Very high	94.1	Very high	41 Å²	41	28.4 Å²	28.4	16%	0.161	14%	0.136	C	C	.	.	H	α-helix	trans	-57	-37.4	174.4	-69.8	-65.2	0	0	0	113.1	I409 P411 W525 N623 A625 H626 I629	I409-Y521 HydrophobicContact CG2-CD1 3.71Å; I409-Y521 HydrophobicContact CG2-CE1 3.98Å; I409-Y521 HydrophobicContact CG2-CG 4.38Å; P411-Y521 HydrophobicContact CG-CE2 4.06Å; Y521-W525 VanDerWaalsContact O-CB 3.32Å; Y521-W525 WeakPolarHBondContact O-CB 3.34Å; Y521-W525 PolarHBondContact O-N 3.23Å; Y521-N623 PolarHBondContact O-ND2 2.63Å; Y521-N623 VanDerWaalsContact O-ND2 3.09Å; Y521-A625 HydrophobicContact CD1-CB 4.17Å; Y521-A625 WeakPolarHBondContact O-CB 3.26Å; Y521-H626 VanDerWaalsContact CB-CE1 3.44Å; Y521-H626 WeakPolarHBondContact CB-CE1 3.09Å; Y521-H626 AromaticContact CD1-CG 3.97Å; Y521-H626 AromaticContact CD1-ND1 3.92Å; Y521-H626 AromaticContact CD2-CD2 3.8Å; Y521-H626 AromaticContact CD2-CE1 3.6Å; Y521-H626 AromaticContact CD2-NE2 3.35Å; Y521-H626 WeakPolarHBondContact CD2-NE2 3.37Å; Y521-H626 AromaticContact CE2-CD2 3.83Å; Y521-H626 AromaticContact CE2-NE2 3.78Å; Y521-H626 AromaticContact CG-CD2 4Å; Y521-H626 AromaticContact CG-CE1 3.47Å; Y521-H626 VanDerWaalsContact CG-CE1 3.47Å; Y521-H626 AromaticContact CG-ND1 3.67Å; Y521-H626 AromaticContact CG-NE2 3.69Å; Y521-I629 HydrophobicContact CE1-CB 4.2Å; Y521-I629 HydrophobicContact CE1-CG1 3.91Å
522	D	93.9	Very high	92.9	Very high	107 Å²	107	33.7 Å²	33.7	57%	0.572	16%	0.16	S	C	*	.	H	α-helix	trans	-73	-39.4	-179.9	-64.5	-36.9	0	0	0	112	T520 W525 S526 N623	T520-D522 PolarHBondContact O-N 2.67Å; D522-W525 PolarHBondContact O-N 2.8Å; D522-S526 WeakPolarHBondContact O-CB 3.49Å; D522-S526 PolarHBondContact O-N 3.23Å; D522-S526 PolarHBondContact O-OG 2.91Å; D522-N623 PolarHBondContact OD1-ND2 3.14Å
523	E	95.1	Very high	90.9	Very high	55 Å²	55	37.7 Å²	37.7	26%	0.257	19%	0.188	S	C	.	.	H	α-helix	trans	-63.9	-47.5	173.5	-70.2	161	167.2	0	0	110.9	L519 T520 W525 S526 I527 L547	L519-E523 HydrophobicContact CD2-CB 4.37Å; T520-E523 WeakPolarHBondContact CG2-OE2 3.46Å; T520-E523 PolarHBondContact N-OE2 2.78Å; T520-E523 PolarHBondContact O-N 3.32Å; T520-E523 WeakPolarHBondContact OG1-CB 3.48Å; T520-E523 WeakPolarHBondContact OG1-CG 3.27Å; T520-E523 PolarHBondContact OG1-N 2.97Å; T520-E523 PolarHBondContact OG1-OE2 3.14Å; E523-W525 VanDerWaalsContact C-N 3.31Å; E523-W525 PolarHBondContact O-N 3.42Å; E523-S526 WeakPolarHBondContact O-CB 3.23Å; E523-S526 PolarHBondContact O-N 2.99Å; E523-I527 VanDerWaalsContact O-CG1 3.27Å; E523-I527 WeakPolarHBondContact O-CG1 3.45Å; E523-I527 PolarHBondContact O-N 3.36Å; E523-L547 HydrophobicContact CB-CD2 3.9Å; E523-L547 HydrophobicContact CG-CD2 4Å
524	A	95.9	Very high	88.5	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-43.1	177.3	0	0	0	0	0	111.8	I409 L519 T520 I527 I528 L563 A625	I409-A524 HydrophobicContact CD1-CB 3.92Å; I409-A524 HydrophobicContact CG1-CB 4.39Å; I409-A524 HydrophobicContact CG2-CB 3.81Å; L519-A524 HydrophobicContact CB-CB 4.33Å; L519-A524 HydrophobicContact CD1-CB 4.15Å; T520-A524 WeakPolarHBondContact O-CB 3.5Å; T520-A524 PolarHBondContact O-N 2.85Å; A524-I527 PolarHBondContact O-N 3.4Å; A524-I528 WeakPolarHBondContact O-CD1 3.28Å; A524-I528 VanDerWaalsContact O-CG1 3.28Å; A524-I528 WeakPolarHBondContact O-CG1 3.49Å; A524-I528 PolarHBondContact O-N 3.47Å; A524-L563 HydrophobicContact CB-CD2 4.35Å; A524-A625 HydrophobicContact CB-CB 4.1Å
525	W	94.8	Very high	85.8	Confident	49 Å²	49	48.6 Å²	48.6	19%	0.186	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-42.3	177	-179	-122.4	0	0	0	112.2	Y521 D522 E523 I527 I528 Q529 H567 N623 P624 A625	Y521-W525 VanDerWaalsContact O-CB 3.32Å; Y521-W525 WeakPolarHBondContact O-CB 3.34Å; Y521-W525 PolarHBondContact O-N 3.23Å; D522-W525 PolarHBondContact O-N 2.8Å; E523-W525 VanDerWaalsContact C-N 3.31Å; E523-W525 PolarHBondContact O-N 3.42Å; W525-I527 VanDerWaalsContact C-N 3.31Å; W525-I527 PolarHBondContact O-N 3.33Å; W525-I528 HydrophobicContact CE3-CB 4.13Å; W525-I528 HydrophobicContact CE3-CD1 4.34Å; W525-I528 HydrophobicContact CE3-CG2 4.11Å; W525-I528 HydrophobicContact CZ3-CB 4.32Å; W525-I528 HydrophobicContact CZ3-CG2 3.78Å; W525-I528 PolarHBondContact O-N 3.11Å; W525-Q529 HydrophobicContact CD2-CG 3.96Å; W525-Q529 VanDerWaalsContact CE2-CG 3.5Å; W525-Q529 HydrophobicContact CE3-CG 4.39Å; W525-Q529 HydrophobicContact CG-CG 4.49Å; W525-Q529 HydrophobicContact CH2-CG 4.01Å; W525-Q529 HydrophobicContact CZ2-CG 3.55Å; W525-Q529 HydrophobicContact CZ3-CG 4.4Å; W525-Q529 VanDerWaalsContact NE1-NE2 3.16Å; W525-Q529 WeakPolarHBondContact O-CG 3.47Å; W525-Q529 PolarHBondContact O-N 3.06Å; W525-H567 AromaticContact CZ3-NE2 3.83Å; W525-N623 HydrophobicContact CG-CB 4.23Å; W525-P624 HydrophobicContact CD2-CB 4.4Å; W525-P624 HydrophobicContact CD2-CG 4.21Å; W525-P624 HydrophobicContact CE3-CB 3.81Å; W525-P624 HydrophobicContact CE3-CG 4.03Å; W525-P624 HydrophobicContact CH2-CB 3.96Å; W525-P624 HydrophobicContact CH2-CG 3.61Å; W525-P624 HydrophobicContact CZ2-CB 4.49Å; W525-P624 HydrophobicContact CZ2-CG 3.75Å; W525-P624 HydrophobicContact CZ3-CB 3.57Å; W525-P624 HydrophobicContact CZ3-CG 3.75Å; W525-A625 HydrophobicContact CB-CB 4.11Å
526	S	92.1	Very high	83.5	Confident	33 Å²	33	53.1 Å²	53.1	23%	0.231	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-43.7	176.2	-59.8	0	0	0	0	111.4	D522 E523 Q529 M530	D522-S526 WeakPolarHBondContact O-CB 3.49Å; D522-S526 PolarHBondContact O-N 3.23Å; D522-S526 PolarHBondContact O-OG 2.91Å; E523-S526 WeakPolarHBondContact O-CB 3.23Å; E523-S526 PolarHBondContact O-N 2.99Å; S526-Q529 PolarHBondContact O-N 2.74Å; S526-M530 VanDerWaalsContact O-CG 3.32Å; S526-M530 WeakPolarHBondContact O-CG 3.34Å; S526-M530 PolarHBondContact O-N 2.86Å; S526-M530 VanDerWaalsContact O-N 3.1Å
527	I	92.5	Very high	81.5	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-43.3	177.5	-63.4	164.2	0	0	0	111.3	L519 E523 A524 W525 M530 L547 F556 L559 Q560 L563	L519-I527 HydrophobicContact CD1-CD1 4.16Å; L519-I527 HydrophobicContact CD2-CD1 3.88Å; E523-I527 VanDerWaalsContact O-CG1 3.27Å; E523-I527 WeakPolarHBondContact O-CG1 3.45Å; E523-I527 PolarHBondContact O-N 3.36Å; A524-I527 PolarHBondContact O-N 3.4Å; W525-I527 VanDerWaalsContact C-N 3.31Å; W525-I527 PolarHBondContact O-N 3.33Å; I527-M530 WeakPolarHBondContact O-CB 3.39Å; I527-M530 PolarHBondContact O-N 2.77Å; I527-L547 HydrophobicContact CD1-CD2 4.36Å; I527-L547 HydrophobicContact CG1-CD1 3.83Å; I527-L547 HydrophobicContact CG1-CD2 4.09Å; I527-L547 HydrophobicContact CG1-CG 4.45Å; I527-F556 HydrophobicContact CD1-CE2 4.25Å; I527-F556 HydrophobicContact CG1-CE2 4.2Å; I527-F556 HydrophobicContact CG1-CZ 4.03Å; I527-F556 HydrophobicContact CG2-CZ 4.24Å; I527-L559 HydrophobicContact CD1-CD2 4.02Å; I527-Q560 HydrophobicContact CG2-CB 4.38Å; I527-Q560 HydrophobicContact CG2-CG 3.53Å; I527-L563 HydrophobicContact CB-CD1 3.77Å; I527-L563 HydrophobicContact CD1-CD1 3.96Å; I527-L563 HydrophobicContact CG1-CD1 4.48Å; I527-L563 HydrophobicContact CG2-CD1 3.57Å
528	I	92.1	Very high	79.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-60.5	-48	176.7	-68.7	162.5	0	0	0	110.3	A524 W525 M530 T531 Q532 L563 H567 L628	A524-I528 WeakPolarHBondContact O-CD1 3.28Å; A524-I528 VanDerWaalsContact O-CG1 3.28Å; A524-I528 WeakPolarHBondContact O-CG1 3.49Å; A524-I528 PolarHBondContact O-N 3.47Å; W525-I528 HydrophobicContact CE3-CB 4.13Å; W525-I528 HydrophobicContact CE3-CD1 4.34Å; W525-I528 HydrophobicContact CE3-CG2 4.11Å; W525-I528 HydrophobicContact CZ3-CB 4.32Å; W525-I528 HydrophobicContact CZ3-CG2 3.78Å; W525-I528 PolarHBondContact O-N 3.11Å; I528-M530 VanDerWaalsContact C-N 3.26Å; I528-M530 PolarHBondContact O-N 3.45Å; I528-T531 PolarHBondContact O-N 3.27Å; I528-T531 PolarHBondContact O-OG1 3.02Å; I528-Q532 PolarHBondContact O-N 2.96Å; I528-L563 HydrophobicContact CD1-CB 4.48Å; I528-L563 HydrophobicContact CG1-CB 3.88Å; I528-H567 HydrophobicContact CD1-CB 4.01Å; I528-H567 HydrophobicContact CG1-CB 4.47Å; I528-H567 HydrophobicContact CG2-CB 4.45Å; I528-L628 HydrophobicContact CD1-CD1 3.94Å
529	Q	89.3	Confident	77.6	Confident	87 Å²	87	66.6 Å²	66.6	41%	0.407	37%	0.366	S	S	.	.	H	α-helix	trans	-60.1	-35.9	179.7	-71.7	-177.2	-53.1	0	0	112.7	W525 S526 T531 Q532 S533	W525-Q529 HydrophobicContact CD2-CG 3.96Å; W525-Q529 VanDerWaalsContact CE2-CG 3.5Å; W525-Q529 HydrophobicContact CE3-CG 4.39Å; W525-Q529 HydrophobicContact CG-CG 4.49Å; W525-Q529 HydrophobicContact CH2-CG 4.01Å; W525-Q529 HydrophobicContact CZ2-CG 3.55Å; W525-Q529 HydrophobicContact CZ3-CG 4.4Å; W525-Q529 VanDerWaalsContact NE1-NE2 3.16Å; W525-Q529 WeakPolarHBondContact O-CG 3.47Å; W525-Q529 PolarHBondContact O-N 3.06Å; S526-Q529 PolarHBondContact O-N 2.74Å; Q529-T531 PolarHBondContact O-N 2.94Å; Q529-Q532 PolarHBondContact O-N 3.25Å; Q529-Q532 VanDerWaalsContact O-N 3.16Å; Q529-S533 PolarHBondContact O-N 3.27Å
530	M	83.4	Confident	76.1	Confident	11 Å²	11	71.1 Å²	71.1	5%	0.054	39%	0.385	C	S	.	.	H	α-helix	trans	-60.4	-28.1	176.7	-73.2	178.1	179.9	0	0	113.4	S526 I527 I528 K540 L543 L544 L547	S526-M530 VanDerWaalsContact O-CG 3.32Å; S526-M530 WeakPolarHBondContact O-CG 3.34Å; S526-M530 PolarHBondContact O-N 2.86Å; S526-M530 VanDerWaalsContact O-N 3.1Å; I527-M530 WeakPolarHBondContact O-CB 3.39Å; I527-M530 PolarHBondContact O-N 2.77Å; I528-M530 VanDerWaalsContact C-N 3.26Å; I528-M530 PolarHBondContact O-N 3.45Å; M530-K540 PolarHBondContact O-NZ 2.78Å; M530-L543 HydrophobicContact CE-CB 3.55Å; M530-L543 HydrophobicContact CE-CD1 4.35Å; M530-L543 HydrophobicContact CE-CG 4.42Å; M530-L544 HydrophobicContact SD-CD2 4.39Å; M530-L547 HydrophobicContact CE-CD1 3.59Å; M530-L547 HydrophobicContact SD-CD1 3.99Å
531	T	77.6	Confident	74.9	Confident	54 Å²	54	74.7 Å²	74.7	33%	0.331	41%	0.411	S	S	.	.	H	α-helix	trans	-81.9	-27.9	177.7	65.1	0	0	0	0	113.3	I528 Q529 Q560 S564	I528-T531 PolarHBondContact O-N 3.27Å; I528-T531 PolarHBondContact O-OG1 3.02Å; Q529-T531 PolarHBondContact O-N 2.94Å; T531-Q560 HydrophobicContact CG2-CB 3.8Å; T531-Q560 HydrophobicContact CG2-CG 4.05Å; T531-S564 WeakPolarHBondContact CB-OG 3.28Å; T531-S564 WeakPolarHBondContact CG2-OG 3.39Å; T531-S564 PolarHBondContact OG1-OG 3Å
532	Q	73.3	Confident	73.7	Confident	111 Å²	111	75.7 Å²	75.7	52%	0.519	42%	0.423	S	S	.	.	H	α-helix	trans	-83.9	-18	-174.9	-69.7	-178.9	-20.2	0	0	114.3	I528 Q529	I528-Q532 PolarHBondContact O-N 2.96Å; Q529-Q532 PolarHBondContact O-N 3.25Å; Q529-Q532 VanDerWaalsContact O-N 3.16Å
533	S	56.6	Low	72.7	Confident	83 Å²	83	73.4 Å²	73.4	58%	0.58	41%	0.411	S	S	*	.			trans	44.8	100.4	174.8	-59.7	0	0	0	0	117.1	Q529	Q529-S533 PolarHBondContact O-N 3.27Å
534	N	47.4	Very low	72	Confident	155 Å²	155	74 Å²	74	83%	0.829	42%	0.415	S	S	*	.			trans	-119.6	129.6	138	-145.1	1.8	0	0	0	106.7	A536	N534-A536 PolarHBondContact O-N 3.44Å; N534-A536 VanDerWaalsContact O-N 3.12Å
535	P	42.5	Very low	71.2	Confident	128 Å²	128	81.5 Å²	81.5	83%	0.831	45%	0.45	S	S	*	.	S	Bend	trans	-82.1	94.1	-168.6	31.9	-30.1	0	0	0	110.9
536	A	48.8	Very low	70.6	Confident	95 Å²	95	87.1 Å²	87.1	79%	0.785	48%	0.477	S	S	*	.			trans	-145.3	30.9	167.1	0	0	0	0	0	112.3	N534	N534-A536 PolarHBondContact O-N 3.44Å; N534-A536 VanDerWaalsContact O-N 3.12Å
537	I	53.9	Low	70.4	Confident	81 Å²	81	86.2 Å²	86.2	42%	0.415	47%	0.469	S	S	.	.			trans	-120	88.9	172	-52.7	178.8	0	0	0	106.7	D539 K540 L543	I537-D539 HydrophobicContact CG2-CB 4.01Å; I537-D539 PolarHBondContact O-N 2.92Å; I537-D539 VanDerWaalsContact O-N 3.11Å; I537-K540 PolarHBondContact O-N 2.81Å; I537-L543 HydrophobicContact CG2-CD1 3.53Å
538	E	52.9	Low	70.2	Confident	201 Å²	201	87.8 Å²	87.8	94%	0.939	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-16.1	166.6	-71.2	-177.3	155.8	0	0	111.5
539	D	57.9	Low	70.1	Confident	94 Å²	94	94.9 Å²	94.9	50%	0.503	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	22.1	-176.5	-87.2	-35.5	0	0	0	116.3	I537 S541 C542 L543	I537-D539 HydrophobicContact CG2-CB 4.01Å; I537-D539 PolarHBondContact O-N 2.92Å; I537-D539 VanDerWaalsContact O-N 3.11Å; D539-S541 PolarHBondContact O-N 3.42Å; D539-S541 VanDerWaalsContact O-N 3.16Å; D539-C542 HydrophobicContact CB-CB 4.12Å; D539-C542 PolarHBondContact O-N 3.48Å; D539-C542 VanDerWaalsContact O-N 3.08Å; D539-C542 PolarHBondContact OD1-SG 3.27Å; D539-L543 HydrophobicContact CB-CD1 4.46Å; D539-L543 PolarHBondContact O-N 3.48Å
540	K	66.4	Low	70.3	Confident	95 Å²	95	91.4 Å²	91.4	41%	0.413	50%	0.495	S	S	.	.	H	α-helix	trans	-54.8	-39.4	-179.7	-127.3	-178.3	-174.9	-177.5	0	111.7	M530 I537 L544	M530-K540 PolarHBondContact O-NZ 2.78Å; I537-K540 PolarHBondContact O-N 2.81Å; K540-L544 WeakPolarHBondContact O-CD1 3.26Å; K540-L544 VanDerWaalsContact O-CG 3.24Å; K540-L544 WeakPolarHBondContact O-CG 3.24Å; K540-L544 PolarHBondContact O-N 2.88Å
541	S	69.9	Low	70.8	Confident	89 Å²	89	93.5 Å²	93.5	62%	0.622	51%	0.505	S	S	*	.	H	α-helix	trans	-63.2	-48.2	176.1	-33.6	0	0	0	0	112.2	D539 L544	D539-S541 PolarHBondContact O-N 3.42Å; D539-S541 VanDerWaalsContact O-N 3.16Å; S541-L544 PolarHBondContact O-N 3.03Å
542	C	70.5	Confident	71.5	Confident	61 Å²	61	94.5 Å²	94.5	41%	0.412	52%	0.518	S	S	.	.	H	α-helix	trans	-63.1	-44.6	-179.9	-67.9	0	0	0	0	111.4	D539 L544 E545 F546	D539-C542 HydrophobicContact CB-CB 4.12Å; D539-C542 PolarHBondContact O-N 3.48Å; D539-C542 VanDerWaalsContact O-N 3.08Å; D539-C542 PolarHBondContact OD1-SG 3.27Å; C542-L544 PolarHBondContact O-N 3.11Å; C542-E545 PolarHBondContact O-N 2.9Å; C542-F546 WeakPolarHBondContact O-CD2 3.36Å
543	L	74.3	Confident	72.5	Confident	60 Å²	60	94 Å²	94	31%	0.314	53%	0.525	S	S	.	.	H	α-helix	trans	-63.3	-38.6	179.2	-83.7	148.8	0	0	0	112.8	M530 I537 D539 E545 F546 L547	M530-L543 HydrophobicContact CE-CB 3.55Å; M530-L543 HydrophobicContact CE-CD1 4.35Å; M530-L543 HydrophobicContact CE-CG 4.42Å; I537-L543 HydrophobicContact CG2-CD1 3.53Å; D539-L543 HydrophobicContact CB-CD1 4.46Å; D539-L543 PolarHBondContact O-N 3.48Å; L543-E545 PolarHBondContact O-N 3.46Å; L543-F546 PolarHBondContact O-N 2.84Å; L543-F546 VanDerWaalsContact O-N 3.16Å; L543-L547 WeakPolarHBondContact O-CG 3.34Å; L543-L547 PolarHBondContact O-N 3.45Å
544	L	79.3	Confident	74.4	Confident	67 Å²	67	91.8 Å²	91.8	35%	0.351	51%	0.505	S	S	.	.	H	α-helix	trans	-62.5	-24.9	179.6	-78.2	165.1	0	0	0	113.6	M530 K540 S541 C542 F556	M530-L544 HydrophobicContact SD-CD2 4.39Å; K540-L544 WeakPolarHBondContact O-CD1 3.26Å; K540-L544 VanDerWaalsContact O-CG 3.24Å; K540-L544 WeakPolarHBondContact O-CG 3.24Å; K540-L544 PolarHBondContact O-N 2.88Å; S541-L544 PolarHBondContact O-N 3.03Å; C542-L544 PolarHBondContact O-N 3.11Å; L544-F556 HydrophobicContact CD2-CD1 3.92Å; L544-F556 HydrophobicContact CD2-CE1 3.34Å; L544-F556 HydrophobicContact CD2-CE2 4.4Å; L544-F556 HydrophobicContact CD2-CZ 3.62Å
545	E	79.7	Confident	76.6	Confident	157 Å²	157	87.4 Å²	87.4	73%	0.734	48%	0.484	S	S	*	.	H	α-helix	trans	-73.9	-30.1	177	-70.1	-172.1	166.4	0	0	112.9	C542 L543	C542-E545 PolarHBondContact O-N 2.9Å; L543-E545 PolarHBondContact O-N 3.46Å
546	F	82.8	Confident	79	Confident	168 Å²	168	82.6 Å²	82.6	74%	0.737	45%	0.45	S	S	*	.	H	α-helix	trans	-93.5	-17	-177.7	-63.2	-74.3	0	0	0	113.7	C542 L543	C542-F546 WeakPolarHBondContact O-CD2 3.36Å; L543-F546 PolarHBondContact O-N 2.84Å; L543-F546 VanDerWaalsContact O-N 3.16Å
547	L	86.9	Confident	81.1	Confident	13 Å²	13	83.9 Å²	83.9	7%	0.068	44%	0.439	C	S	.	.	S	Bend	trans	-74.8	136	-179.2	-72.8	171	0	0	0	111.6	E523 I527 M530 L543 K549 F556	E523-L547 HydrophobicContact CB-CD2 3.9Å; E523-L547 HydrophobicContact CG-CD2 4Å; I527-L547 HydrophobicContact CD1-CD2 4.36Å; I527-L547 HydrophobicContact CG1-CD1 3.83Å; I527-L547 HydrophobicContact CG1-CD2 4.09Å; I527-L547 HydrophobicContact CG1-CG 4.45Å; M530-L547 HydrophobicContact CE-CD1 3.59Å; M530-L547 HydrophobicContact SD-CD1 3.99Å; L543-L547 WeakPolarHBondContact O-CG 3.34Å; L543-L547 PolarHBondContact O-N 3.45Å; L547-K549 PolarHBondContact O-N 2.86Å; L547-F556 HydrophobicContact CB-CE2 4.21Å; L547-F556 HydrophobicContact CD1-CE2 4.38Å; L547-F556 HydrophobicContact CD1-CZ 4.01Å
548	P	88.5	Confident	83	Confident	34 Å²	34	83.4 Å²	83.4	22%	0.221	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-58.4	134.6	175.2	-23.3	33.5	0	0	0	111.3	L519	L519-P548 HydrophobicContact CD2-CB 3.91Å; L519-P548 HydrophobicContact CD2-CG 3.88Å
549	K	90.1	Very high	85	Confident	149 Å²	149	73.8 Å²	73.8	65%	0.648	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-100	141.4	175	-64.6	-179.5	-176.5	176.7	0	109.8	L547	L547-K549 PolarHBondContact O-N 2.86Å
550	P	93.4	Very high	86.7	Confident	14 Å²	14	71.2 Å²	71.2	9%	0.091	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-68.4	148.3	175.4	31.1	-34.2	0	0	0	110.6	R516 F554 T555 L559	R516-P550 HydrophobicContact CB-CB 4.05Å; R516-P550 CarbonylContact O-C 3.54Å; R516-P550 WeakPolarHBondContact O-CA 3.38Å; P550-F554 HydrophobicContact CB-CB 4.07Å; P550-F554 HydrophobicContact CG-CB 4.1Å; P550-T555 VanDerWaalsContact CG-O 3.24Å; P550-T555 WeakPolarHBondContact CG-O 3.4Å; P550-L559 HydrophobicContact CG-CB 4.14Å
551	E	94.2	Very high	88	Confident	54 Å²	54	71.6 Å²	71.6	25%	0.252	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-63.6	141.2	170.2	-173.9	-167.6	-148.1	0	0	111	N485 R514 R516 F554	N485-E551 VanDerWaalsContact OD1-CB 3.31Å; N485-E551 WeakPolarHBondContact OD1-CB 3.48Å; R514-E551 IonicContact CZ-OE1 2.81Å; R514-E551 IonicContact CZ-OE2 2.64Å; R514-E551 IonicContact NE-OE1 3.66Å; R514-E551 PolarHBondContact NE-OE1 3.49Å; R514-E551 IonicContact NE-OE2 3.19Å; R514-E551 PolarHBondContact NE-OE2 3.38Å; R514-E551 IonicContact NH2-OE1 3.54Å; R514-E551 PolarHBondContact NH2-OE1 3.06Å; R514-E551 IonicContact NH2-OE2 2.67Å; R514-E551 PolarHBondContact NH2-OE2 2.79Å; R516-E551 IonicContact CZ-OE2 2.74Å; R516-E551 IonicContact NH1-OE2 3.61Å; R516-E551 PolarHBondContact NH1-OE2 3.05Å; R516-E551 PolarHBondContact O-N 3.36Å; E551-F554 PolarHBondContact O-N 3.47Å
552	A	91.1	Very high	89.2	Confident	75 Å²	75	67.6 Å²	67.6	62%	0.62	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	145	174	0	0	0	0	0	112.1	R516	R516-A552 PolarHBondContact NH1-O 3.5Å
553	P	95.5	Very high	90.4	Very high	101 Å²	101	64.7 Å²	64.7	66%	0.656	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	cis	-88.6	6.5	13.4	36.3	-37.4	0	0	0	115.4
554	F	95.8	Very high	91.4	Very high	37 Å²	37	63.2 Å²	63.2	16%	0.162	33%	0.328	C	S	.	.			trans	-80	143.3	-175.5	-60.2	-73.7	0	0	0	112.3	S403 H404 C405 R516 P550 E551 D558	S403-F554 WeakPolarHBondContact O-CZ 3.09Å; H404-F554 WeakPolarHBondContact O-CE2 3.18Å; C405-F554 HydrophobicContact CB-CD1 3.52Å; C405-F554 HydrophobicContact CB-CD2 4.26Å; C405-F554 HydrophobicContact CB-CE1 3.58Å; C405-F554 HydrophobicContact CB-CE2 4.31Å; C405-F554 HydrophobicContact CB-CG 3.86Å; C405-F554 HydrophobicContact CB-CZ 3.99Å; R516-F554 HydrophobicContact CB-CD2 4.39Å; R516-F554 HydrophobicContact CG-CD2 3.66Å; R516-F554 HydrophobicContact CG-CE2 3.89Å; P550-F554 HydrophobicContact CB-CB 4.07Å; P550-F554 HydrophobicContact CG-CB 4.1Å; E551-F554 PolarHBondContact O-N 3.47Å; F554-D558 WeakPolarHBondContact CA-OD2 3.29Å; F554-D558 HydrophobicContact CB-CB 4.36Å; F554-D558 HydrophobicContact CD1-CB 4.29Å
555	T	94.6	Very high	92.2	Very high	63 Å²	63	60.6 Å²	60.6	39%	0.387	32%	0.315	S	S	.	.			trans	-98	170.9	175.8	79.2	0	0	0	0	111.5	P550 E557 D558 L559	P550-T555 VanDerWaalsContact CG-O 3.24Å; P550-T555 WeakPolarHBondContact CG-O 3.4Å; T555-E557 WeakPolarHBondContact CB-OE2 3.42Å; T555-E557 PolarHBondContact O-N 3.46Å; T555-E557 PolarHBondContact OG1-N 3.27Å; T555-E557 PolarHBondContact OG1-OE2 2.85Å; T555-D558 PolarHBondContact N-OD2 2.83Å; T555-D558 WeakPolarHBondContact O-CB 3.49Å; T555-D558 PolarHBondContact O-N 3.04Å; T555-D558 PolarHBondContact OG1-N 3.42Å; T555-L559 PolarHBondContact O-N 3.34Å
556	F	92.8	Very high	93.1	Very high	26 Å²	26	53.1 Å²	53.1	11%	0.114	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-31.4	174.1	-174.4	-99.8	0	0	0	111.7	I527 L544 L547 L559 Q560	I527-F556 HydrophobicContact CD1-CE2 4.25Å; I527-F556 HydrophobicContact CG1-CE2 4.2Å; I527-F556 HydrophobicContact CG1-CZ 4.03Å; I527-F556 HydrophobicContact CG2-CZ 4.24Å; L544-F556 HydrophobicContact CD2-CD1 3.92Å; L544-F556 HydrophobicContact CD2-CE1 3.34Å; L544-F556 HydrophobicContact CD2-CE2 4.4Å; L544-F556 HydrophobicContact CD2-CZ 3.62Å; L547-F556 HydrophobicContact CB-CE2 4.21Å; L547-F556 HydrophobicContact CD1-CE2 4.38Å; L547-F556 HydrophobicContact CD1-CZ 4.01Å; F556-L559 HydrophobicContact CD2-CD2 4.39Å; F556-L559 WeakPolarHBondContact O-CB 3.27Å; F556-L559 PolarHBondContact O-N 2.8Å; F556-Q560 HydrophobicContact CD1-CG 4Å; F556-Q560 HydrophobicContact CE1-CG 3.72Å; F556-Q560 HydrophobicContact CZ-CG 4.29Å; F556-Q560 WeakPolarHBondContact O-CG 3.1Å; F556-Q560 PolarHBondContact O-N 3.4Å
557	E	91.8	Very high	93.8	Very high	122 Å²	122	45.3 Å²	45.3	57%	0.57	25%	0.246	S	C	*	.	H	α-helix	trans	-64.6	-39.1	174	-62.1	77.2	-167.5	0	0	112	T555 L559 Q560 H561	T555-E557 WeakPolarHBondContact CB-OE2 3.42Å; T555-E557 PolarHBondContact O-N 3.46Å; T555-E557 PolarHBondContact OG1-N 3.27Å; T555-E557 PolarHBondContact OG1-OE2 2.85Å; E557-L559 VanDerWaalsContact C-N 3.32Å; E557-L559 PolarHBondContact O-N 3.32Å; E557-Q560 WeakPolarHBondContact O-CB 3.47Å; E557-Q560 PolarHBondContact O-N 3.1Å; E557-H561 PolarHBondContact O-N 2.89Å
558	D	94	Very high	94.3	Very high	71 Å²	71	47.7 Å²	47.7	38%	0.38	26%	0.259	S	S	.	.	H	α-helix	trans	-61.9	-42.6	174.2	-65.1	-42.2	0	0	0	111	F554 T555 H561 C562	F554-D558 WeakPolarHBondContact CA-OD2 3.29Å; F554-D558 HydrophobicContact CB-CB 4.36Å; F554-D558 HydrophobicContact CD1-CB 4.29Å; T555-D558 PolarHBondContact N-OD2 2.83Å; T555-D558 WeakPolarHBondContact O-CB 3.49Å; T555-D558 PolarHBondContact O-N 3.04Å; T555-D558 PolarHBondContact OG1-N 3.42Å; D558-H561 PolarHBondContact O-N 3.4Å; D558-C562 VanDerWaalsContact O-CB 3.27Å; D558-C562 WeakPolarHBondContact O-CB 3.22Å; D558-C562 PolarHBondContact O-N 3.21Å
559	L	95.1	Very high	94.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-44.8	175.6	177.7	60.9	0	0	0	111.6	I407 L519 I527 P550 T555 F556 E557 C562 L563	I407-L559 HydrophobicContact CD1-CD1 4.08Å; I407-L559 HydrophobicContact CG2-CD1 3.7Å; L519-L559 HydrophobicContact CD1-CD1 4.21Å; L519-L559 HydrophobicContact CD2-CD2 4.49Å; I527-L559 HydrophobicContact CD1-CD2 4.02Å; P550-L559 HydrophobicContact CG-CB 4.14Å; T555-L559 PolarHBondContact O-N 3.34Å; F556-L559 HydrophobicContact CD2-CD2 4.39Å; F556-L559 WeakPolarHBondContact O-CB 3.27Å; F556-L559 PolarHBondContact O-N 2.8Å; E557-L559 VanDerWaalsContact C-N 3.32Å; E557-L559 PolarHBondContact O-N 3.32Å; L559-C562 WeakPolarHBondContact O-CB 3.32Å; L559-C562 PolarHBondContact O-N 3.36Å; L559-L563 HydrophobicContact CD1-CD1 4.14Å; L559-L563 HydrophobicContact CD1-CG 4.3Å; L559-L563 HydrophobicContact CG-CD1 4.17Å; L559-L563 WeakPolarHBondContact O-CG 3.39Å; L559-L563 PolarHBondContact O-N 3.05Å
560	Q	93.3	Very high	95	Very high	39 Å²	39	39.1 Å²	39.1	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-58.4	-50.3	175.5	-80.5	-178.6	-51.3	0	0	111.4	I527 T531 F556 E557 C562 L563 S564	I527-Q560 HydrophobicContact CG2-CB 4.38Å; I527-Q560 HydrophobicContact CG2-CG 3.53Å; T531-Q560 HydrophobicContact CG2-CB 3.8Å; T531-Q560 HydrophobicContact CG2-CG 4.05Å; F556-Q560 HydrophobicContact CD1-CG 4Å; F556-Q560 HydrophobicContact CE1-CG 3.72Å; F556-Q560 HydrophobicContact CZ-CG 4.29Å; F556-Q560 WeakPolarHBondContact O-CG 3.1Å; F556-Q560 PolarHBondContact O-N 3.4Å; E557-Q560 WeakPolarHBondContact O-CB 3.47Å; E557-Q560 PolarHBondContact O-N 3.1Å; Q560-C562 VanDerWaalsContact C-N 3.31Å; Q560-C562 PolarHBondContact O-N 3.37Å; Q560-L563 PolarHBondContact O-N 2.98Å; Q560-S564 WeakPolarHBondContact O-CB 3.29Å; Q560-S564 PolarHBondContact O-N 3.16Å; Q560-S564 PolarHBondContact O-OG 3.06Å
561	H	93.3	Very high	95.2	Very high	103 Å²	103	42.3 Å²	42.3	48%	0.477	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-41.2	178.7	-172.1	-64.5	0	0	0	111.6	E557 D558 S565	E557-H561 PolarHBondContact O-N 2.89Å; D558-H561 PolarHBondContact O-N 3.4Å; H561-S565 PolarHBondContact CE1-OG 3.31Å; H561-S565 VanDerWaalsContact CE1-OG 3.23Å; H561-S565 PolarHBondContact ND1-OG 3.17Å; H561-S565 WeakPolarHBondContact O-CB 3.4Å; H561-S565 PolarHBondContact O-N 3.37Å; H561-S565 PolarHBondContact O-OG 3.45Å
562	C	95.5	Very high	95.3	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.034	23%	0.234	C	C	.	.	H	α-helix	trans	-57.1	-53.5	176.4	-179.1	0	0	0	0	111	I423 D558 L559 Q560 S565 L566	I423-C562 HydrophobicContact CG2-CB 4.22Å; I423-C562 WeakPolarHBondContact CG2-O 3.46Å; D558-C562 VanDerWaalsContact O-CB 3.27Å; D558-C562 WeakPolarHBondContact O-CB 3.22Å; D558-C562 PolarHBondContact O-N 3.21Å; L559-C562 WeakPolarHBondContact O-CB 3.32Å; L559-C562 PolarHBondContact O-N 3.36Å; Q560-C562 VanDerWaalsContact C-N 3.31Å; Q560-C562 PolarHBondContact O-N 3.37Å; C562-S565 PolarHBondContact O-N 3.47Å; C562-L566 WeakPolarHBondContact O-CB 3.08Å; C562-L566 WeakPolarHBondContact O-CG 3.42Å; C562-L566 PolarHBondContact O-N 2.93Å
563	L	96.7	Very high	95.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-46.1	-178.9	-74.8	171	0	0	0	112.7	I407 I409 L519 A524 I527 I528 L559 Q560 S565 L566 H567	I407-L563 HydrophobicContact CD1-CD2 3.57Å; I407-L563 HydrophobicContact CD1-CG 4.03Å; I409-L563 HydrophobicContact CD1-CD2 3.6Å; L519-L563 HydrophobicContact CD1-CD1 3.78Å; L519-L563 HydrophobicContact CD1-CD2 4.19Å; L519-L563 HydrophobicContact CD1-CG 4.46Å; A524-L563 HydrophobicContact CB-CD2 4.35Å; I527-L563 HydrophobicContact CB-CD1 3.77Å; I527-L563 HydrophobicContact CD1-CD1 3.96Å; I527-L563 HydrophobicContact CG1-CD1 4.48Å; I527-L563 HydrophobicContact CG2-CD1 3.57Å; I528-L563 HydrophobicContact CD1-CB 4.48Å; I528-L563 HydrophobicContact CG1-CB 3.88Å; L559-L563 HydrophobicContact CD1-CD1 4.14Å; L559-L563 HydrophobicContact CD1-CG 4.3Å; L559-L563 HydrophobicContact CG-CD1 4.17Å; L559-L563 WeakPolarHBondContact O-CG 3.39Å; L559-L563 PolarHBondContact O-N 3.05Å; Q560-L563 PolarHBondContact O-N 2.98Å; L563-S565 VanDerWaalsContact C-N 3.32Å; L563-S565 PolarHBondContact O-N 2.9Å; L563-L566 PolarHBondContact O-N 2.88Å; L563-H567 WeakPolarHBondContact O-CB 3.28Å; L563-H567 PolarHBondContact O-N 3.15Å
564	S	95.3	Very high	95.4	Very high	30 Å²	30	36.5 Å²	36.5	21%	0.21	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-38.1	-178.5	-56	0	0	0	0	112.1	T531 Q560 H567 L568	T531-S564 WeakPolarHBondContact CB-OG 3.28Å; T531-S564 WeakPolarHBondContact CG2-OG 3.39Å; T531-S564 PolarHBondContact OG1-OG 3Å; Q560-S564 WeakPolarHBondContact O-CB 3.29Å; Q560-S564 PolarHBondContact O-N 3.16Å; Q560-S564 PolarHBondContact O-OG 3.06Å; S564-H567 PolarHBondContact O-N 3.41Å; S564-L568 WeakPolarHBondContact O-CB 3.47Å; S564-L568 PolarHBondContact O-N 3.12Å
565	S	96.2	Very high	95.3	Very high	12 Å²	12	37.5 Å²	37.5	8%	0.084	20%	0.197	C	C	.	.	H	α-helix	trans	-70.1	-45	177.5	-51.9	0	0	0	0	111.7	H561 C562 L563 H567 L568 I569	H561-S565 PolarHBondContact CE1-OG 3.31Å; H561-S565 VanDerWaalsContact CE1-OG 3.23Å; H561-S565 PolarHBondContact ND1-OG 3.17Å; H561-S565 WeakPolarHBondContact O-CB 3.4Å; H561-S565 PolarHBondContact O-N 3.37Å; H561-S565 PolarHBondContact O-OG 3.45Å; C562-S565 PolarHBondContact O-N 3.47Å; L563-S565 VanDerWaalsContact C-N 3.32Å; L563-S565 PolarHBondContact O-N 2.9Å; S565-H567 VanDerWaalsContact C-N 3.28Å; S565-H567 PolarHBondContact O-N 2.87Å; S565-L568 PolarHBondContact O-N 3.33Å; S565-I569 WeakPolarHBondContact O-CG1 3.4Å; S565-I569 PolarHBondContact O-N 3.08Å
566	L	98	Very high	95.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.4	-40	174.6	-75.9	169.5	0	0	0	111.5	L421 I423 V433 C562 L563 A570 L628 W632	L421-L566 HydrophobicContact CB-CD1 3.97Å; L421-L566 HydrophobicContact CD1-CD1 4.34Å; I423-L566 HydrophobicContact CB-CD2 3.99Å; I423-L566 HydrophobicContact CB-CG 4.05Å; I423-L566 HydrophobicContact CD1-CD2 4.27Å; I423-L566 HydrophobicContact CD1-CG 4.46Å; I423-L566 HydrophobicContact CG2-CD1 4.43Å; I423-L566 HydrophobicContact CG2-CD2 4.4Å; I423-L566 HydrophobicContact CG2-CG 3.9Å; V433-L566 HydrophobicContact CG1-CD2 3.88Å; V433-L566 HydrophobicContact CG2-CD2 4.38Å; C562-L566 WeakPolarHBondContact O-CB 3.08Å; C562-L566 WeakPolarHBondContact O-CG 3.42Å; C562-L566 PolarHBondContact O-N 2.93Å; L563-L566 PolarHBondContact O-N 2.88Å; L566-A570 WeakPolarHBondContact O-CB 3.44Å; L566-A570 PolarHBondContact O-N 3.24Å; L566-L628 HydrophobicContact CB-CD1 4.24Å; L566-L628 HydrophobicContact CB-CD2 4.48Å; L566-L628 HydrophobicContact CB-CG 4.46Å; L566-W632 HydrophobicContact CD2-CD2 4.41Å; L566-W632 HydrophobicContact CD2-CZ2 3.82Å; L566-W632 PolarHBondContact O-NE1 3.14Å
567	H	97.6	Very high	95.1	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.019	19%	0.187	C	C	.	.	H	α-helix	trans	-65.5	-48.1	179.3	-176.5	56.3	0	0	0	112.1	W525 I528 L563 S564 S565 I569 A570 Q571 L628	W525-H567 AromaticContact CZ3-NE2 3.83Å; I528-H567 HydrophobicContact CD1-CB 4.01Å; I528-H567 HydrophobicContact CG1-CB 4.47Å; I528-H567 HydrophobicContact CG2-CB 4.45Å; L563-H567 WeakPolarHBondContact O-CB 3.28Å; L563-H567 PolarHBondContact O-N 3.15Å; S564-H567 PolarHBondContact O-N 3.41Å; S565-H567 VanDerWaalsContact C-N 3.28Å; S565-H567 PolarHBondContact O-N 2.87Å; H567-I569 PolarHBondContact O-N 2.97Å; H567-A570 PolarHBondContact O-N 2.89Å; H567-Q571 PolarHBondContact CE1-NE2 3.44Å; H567-Q571 VanDerWaalsContact NE2-CD 3.33Å; H567-Q571 PolarHBondContact NE2-NE2 3.32Å; H567-Q571 WeakPolarHBondContact O-CG 3.2Å; H567-Q571 PolarHBondContact O-N 3.3Å; H567-L628 HydrophobicContact CB-CD1 3.82Å
568	L	96.4	Very high	94.9	Very high	62 Å²	62	34.2 Å²	34.2	33%	0.325	18%	0.178	S	C	.	.	H	α-helix	trans	-57.7	-49.2	-179.6	177.3	62.3	0	0	0	111.5	E499 S564 S565 Q571 N572	E499-L568 HydrophobicContact CG-CD2 3.91Å; E499-L568 HydrophobicContact CG-CG 4.39Å; S564-L568 WeakPolarHBondContact O-CB 3.47Å; S564-L568 PolarHBondContact O-N 3.12Å; S565-L568 PolarHBondContact O-N 3.33Å; L568-Q571 PolarHBondContact O-N 3.27Å; L568-N572 PolarHBondContact O-N 3.47Å; L568-N572 PolarHBondContact O-ND2 3.45Å
569	I	97.7	Very high	94.6	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-40.9	179.7	-59.1	170.7	0	0	0	110.4	I423 Y431 V497 S565 H567 Q571 N572 L573 W632	I423-I569 HydrophobicContact CD1-CD1 3.76Å; Y431-I569 HydrophobicContact CD1-CD1 4.46Å; Y431-I569 HydrophobicContact CD2-CD1 3.83Å; Y431-I569 HydrophobicContact CE2-CD1 4.38Å; Y431-I569 HydrophobicContact CG-CD1 3.88Å; V497-I569 HydrophobicContact CG2-CD1 4.1Å; S565-I569 WeakPolarHBondContact O-CG1 3.4Å; S565-I569 PolarHBondContact O-N 3.08Å; H567-I569 PolarHBondContact O-N 2.97Å; I569-Q571 VanDerWaalsContact C-N 3.33Å; I569-Q571 PolarHBondContact O-N 3.41Å; I569-N572 PolarHBondContact O-N 3.39Å; I569-L573 HydrophobicContact CG2-CD1 4.07Å; I569-L573 HydrophobicContact CG2-CG 4.38Å; I569-L573 WeakPolarHBondContact O-CG 2.89Å; I569-L573 PolarHBondContact O-N 3.07Å; I569-W632 HydrophobicContact CB-CH2 4.34Å; I569-W632 HydrophobicContact CB-CZ2 3.94Å; I569-W632 HydrophobicContact CG2-CH2 3.75Å; I569-W632 HydrophobicContact CG2-CZ2 3.83Å
570	A	97.7	Very high	94.1	Very high	3 Å²	3	38.2 Å²	38.2	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-61.7	-39.1	175.7	0	0	0	0	0	112.5	L566 H567 N572 L573 R574 L628 E631	L566-A570 WeakPolarHBondContact O-CB 3.44Å; L566-A570 PolarHBondContact O-N 3.24Å; H567-A570 PolarHBondContact O-N 2.89Å; A570-N572 VanDerWaalsContact C-N 3.34Å; A570-N572 PolarHBondContact O-N 2.63Å; A570-L573 PolarHBondContact O-N 3.32Å; A570-R574 WeakPolarHBondContact O-CB 3.47Å; A570-R574 PolarHBondContact O-N 3.27Å; A570-L628 HydrophobicContact CB-CG 4.48Å; A570-E631 HydrophobicContact CB-CB 4.11Å; A570-E631 HydrophobicContact CB-CG 4.35Å; A570-E631 WeakPolarHBondContact O-CG 3.22Å
571	Q	96.6	Very high	93.7	Very high	81 Å²	81	36.4 Å²	36.4	38%	0.379	19%	0.187	S	C	.	.	H	α-helix	trans	-59.9	-44.9	174.1	-76.2	-177.3	-36.1	0	0	111.5	H567 L568 I569 R574 S575	H567-Q571 PolarHBondContact CE1-NE2 3.44Å; H567-Q571 VanDerWaalsContact NE2-CD 3.33Å; H567-Q571 PolarHBondContact NE2-NE2 3.32Å; H567-Q571 WeakPolarHBondContact O-CG 3.2Å; H567-Q571 PolarHBondContact O-N 3.3Å; L568-Q571 PolarHBondContact O-N 3.27Å; I569-Q571 VanDerWaalsContact C-N 3.33Å; I569-Q571 PolarHBondContact O-N 3.41Å; Q571-R574 PolarHBondContact O-N 2.94Å; Q571-S575 PolarHBondContact O-N 3.1Å; Q571-S575 PolarHBondContact O-OG 2.96Å; Q571-S575 VanDerWaalsContact O-OG 3.12Å
572	N	96.4	Very high	93.4	Very high	55 Å²	55	31.7 Å²	31.7	29%	0.294	17%	0.165	S	C	.	.	H	α-helix	trans	-64.3	-44.6	178	-67.3	-23.9	0	0	0	111.9	E499 L568 I569 A570 R574 S575 H576	E499-N572 PolarHBondContact O-ND2 3.18Å; L568-N572 PolarHBondContact O-N 3.47Å; L568-N572 PolarHBondContact O-ND2 3.45Å; I569-N572 PolarHBondContact O-N 3.39Å; A570-N572 VanDerWaalsContact C-N 3.34Å; A570-N572 PolarHBondContact O-N 2.63Å; N572-R574 VanDerWaalsContact C-N 3.3Å; N572-R574 PolarHBondContact O-N 3.27Å; N572-S575 PolarHBondContact O-N 3.39Å; N572-H576 WeakPolarHBondContact O-CB 3.47Å; N572-H576 PolarHBondContact O-N 2.96Å
573	L	95.3	Very high	92.7	Very high	25 Å²	25	32.4 Å²	32.4	13%	0.131	17%	0.17	C	C	.	.	H	α-helix	trans	-56.5	-43.9	174	-74.1	166.6	0	0	0	111.9	G501 I569 A570 R577 E631 W632 V635	G501-L573 WeakPolarHBondContact O-CD2 3.49Å; I569-L573 HydrophobicContact CG2-CD1 4.07Å; I569-L573 HydrophobicContact CG2-CG 4.38Å; I569-L573 WeakPolarHBondContact O-CG 2.89Å; I569-L573 PolarHBondContact O-N 3.07Å; A570-L573 PolarHBondContact O-N 3.32Å; L573-R577 VanDerWaalsContact O-CB 3.3Å; L573-R577 WeakPolarHBondContact O-CB 3.3Å; L573-R577 PolarHBondContact O-N 2.94Å; L573-E631 HydrophobicContact CB-CB 4.32Å; L573-E631 HydrophobicContact CB-CG 4.46Å; L573-W632 HydrophobicContact CD1-CH2 4.34Å; L573-W632 HydrophobicContact CD1-CZ3 4.38Å; L573-V635 HydrophobicContact CD1-CG2 3.83Å; L573-V635 HydrophobicContact CD2-CG2 4.03Å
574	R	94.3	Very high	91.5	Very high	27 Å²	27	35.3 Å²	35.3	10%	0.102	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-48.5	178.9	-172.4	170.4	-175.1	91.1	-7.2	111.9	A570 Q571 N572 H576 R577 I578 E586 H627 E630 E631	A570-R574 WeakPolarHBondContact O-CB 3.47Å; A570-R574 PolarHBondContact O-N 3.27Å; Q571-R574 PolarHBondContact O-N 2.94Å; N572-R574 VanDerWaalsContact C-N 3.3Å; N572-R574 PolarHBondContact O-N 3.27Å; R574-H576 VanDerWaalsContact C-N 3.32Å; R574-H576 PolarHBondContact O-N 3.34Å; R574-R577 PolarHBondContact O-N 2.67Å; R574-I578 HydrophobicContact CG-CD1 3.92Å; R574-I578 WeakPolarHBondContact O-CG1 3.35Å; R574-I578 PolarHBondContact O-N 2.87Å; R574-E586 IonicContact NH2-OE1 3.3Å; R574-H627 PolarHBondContact NH2-NE2 3.2Å; R574-E630 IonicContact NH1-OE1 3.1Å; R574-E630 PolarHBondContact NH1-OE1 2.92Å; R574-E630 VanDerWaalsContact NH1-OE1 3.1Å; R574-E630 IonicContact NH1-OE2 2.77Å; R574-E631 HydrophobicContact CB-CG 3.8Å; R574-E631 WeakPolarHBondContact CB-OE1 3.11Å; R574-E631 WeakPolarHBondContact CD-OE1 3.39Å; R574-E631 VanDerWaalsContact CG-OE1 3.27Å; R574-E631 WeakPolarHBondContact CG-OE1 3.29Å; R574-E631 IonicContact CZ-OE1 3.07Å; R574-E631 IonicContact NH1-OE1 3.63Å; R574-E631 PolarHBondContact NH1-OE1 3.05Å
575	S	93.4	Very high	90.2	Very high	59 Å²	59	35.9 Å²	35.9	41%	0.413	19%	0.19	S	C	.	.	H	α-helix	trans	-56.5	-49.7	178.7	-64	0	0	0	0	110.6	Q571 N572 R577 I578 E579	Q571-S575 PolarHBondContact O-N 3.1Å; Q571-S575 PolarHBondContact O-OG 2.96Å; Q571-S575 VanDerWaalsContact O-OG 3.12Å; N572-S575 PolarHBondContact O-N 3.39Å; S575-R577 VanDerWaalsContact C-N 3.33Å; S575-R577 PolarHBondContact O-N 3.25Å; S575-I578 PolarHBondContact O-N 3Å; S575-I578 VanDerWaalsContact O-N 3.15Å; S575-E579 WeakPolarHBondContact O-CG 3.31Å; S575-E579 PolarHBondContact O-N 3Å
576	H	91.2	Very high	88.7	Confident	44 Å²	44	39.7 Å²	39.7	20%	0.204	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-42.6	178.4	-162.2	69.2	0	0	0	112.5	N572 R574 I578 E579 N580 F789	N572-H576 WeakPolarHBondContact O-CB 3.47Å; N572-H576 PolarHBondContact O-N 2.96Å; R574-H576 VanDerWaalsContact C-N 3.32Å; R574-H576 PolarHBondContact O-N 3.34Å; H576-I578 PolarHBondContact O-N 3.36Å; H576-E579 PolarHBondContact O-N 3.23Å; H576-N580 PolarHBondContact CD2-ND2 3.34Å; H576-N580 VanDerWaalsContact CD2-ND2 3.32Å; H576-N580 PolarHBondContact NE2-ND2 2.97Å; H576-N580 WeakPolarHBondContact O-CB 3.43Å; H576-N580 VanDerWaalsContact O-CG 3.28Å; H576-N580 PolarHBondContact O-N 3.23Å; H576-N580 PolarHBondContact O-ND2 3.44Å; H576-F789 AromaticContact CD2-CD2 3.79Å; H576-F789 AromaticContact CD2-CE2 3.76Å; H576-F789 PolarHBondContact CD2-O 3.49Å; H576-F789 VanDerWaalsContact CD2-O 3.24Å; H576-F789 AromaticContact CE1-CE1 3.71Å; H576-F789 AromaticContact CE1-CZ 3.65Å; H576-F789 AromaticContact NE2-CD1 3.72Å; H576-F789 AromaticContact NE2-CD2 3.72Å; H576-F789 AromaticContact NE2-CE1 3.71Å; H576-F789 AromaticContact NE2-CE2 3.72Å; H576-F789 AromaticContact NE2-CG 3.72Å; H576-F789 AromaticContact NE2-CZ 3.71Å; H576-F789 PolarHBondContact NE2-O 2.78Å
577	R	90.7	Very high	87.4	Confident	24 Å²	24	43.9 Å²	43.9	9%	0.091	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-39.3	177.1	-179.2	170.3	66.6	83	-10.3	112.6	L573 R574 S575 G581 A582 E630 E631	L573-R577 VanDerWaalsContact O-CB 3.3Å; L573-R577 WeakPolarHBondContact O-CB 3.3Å; L573-R577 PolarHBondContact O-N 2.94Å; R574-R577 PolarHBondContact O-N 2.67Å; S575-R577 VanDerWaalsContact C-N 3.33Å; S575-R577 PolarHBondContact O-N 3.25Å; R577-G581 PolarHBondContact O-N 3.46Å; R577-A582 HydrophobicContact CG-CB 3.5Å; R577-A582 VanDerWaalsContact CG-CB 3.5Å; R577-A582 WeakPolarHBondContact O-CB 3.35Å; R577-A582 PolarHBondContact O-N 3.42Å; R577-E630 IonicContact NH2-OE1 3.84Å; R577-E630 PolarHBondContact NH2-OE1 3.44Å; R577-E631 IonicContact CZ-OE1 3.59Å; R577-E631 IonicContact CZ-OE2 2.69Å; R577-E631 IonicContact NE-OE1 3.96Å; R577-E631 IonicContact NE-OE2 3.78Å; R577-E631 PolarHBondContact NE-OE2 3.02Å; R577-E631 IonicContact NH2-OE1 3.99Å; R577-E631 PolarHBondContact NH2-OE1 3.49Å; R577-E631 IonicContact NH2-OE2 2.66Å; R577-E631 PolarHBondContact NH2-OE2 2.91Å
578	I	88.8	Confident	86.6	Confident	74 Å²	74	45.6 Å²	45.6	38%	0.379	23%	0.234	S	C	.	.	H	α-helix	trans	-69.2	-44	176.5	-68.4	169.7	0	0	0	110.6	R574 S575 H576 N580 G581	R574-I578 HydrophobicContact CG-CD1 3.92Å; R574-I578 WeakPolarHBondContact O-CG1 3.35Å; R574-I578 PolarHBondContact O-N 2.87Å; S575-I578 PolarHBondContact O-N 3Å; S575-I578 VanDerWaalsContact O-N 3.15Å; H576-I578 PolarHBondContact O-N 3.36Å; I578-N580 VanDerWaalsContact C-N 3.28Å; I578-N580 PolarHBondContact O-N 3Å; I578-G581 WeakPolarHBondContact O-CA 3.2Å; I578-G581 PolarHBondContact O-N 3.03Å
579	E	87.1	Confident	85.8	Confident	134 Å²	134	46.5 Å²	46.5	63%	0.626	24%	0.237	S	C	*	.	H	α-helix	trans	-59.1	-39.9	175.6	-73.6	171.7	-165.8	0	0	111.6	S575 H576 G581	S575-E579 WeakPolarHBondContact O-CG 3.31Å; S575-E579 PolarHBondContact O-N 3Å; H576-E579 PolarHBondContact O-N 3.23Å; E579-G581 PolarHBondContact O-N 3.37Å; E579-G581 VanDerWaalsContact O-N 3.13Å
580	N	85	Confident	85.4	Confident	21 Å²	21	47.5 Å²	47.5	11%	0.112	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-0.2	173.3	-74	-23.2	0	0	0	114.2	H576 I578 F789 Q792 S812	H576-N580 PolarHBondContact CD2-ND2 3.34Å; H576-N580 VanDerWaalsContact CD2-ND2 3.32Å; H576-N580 PolarHBondContact NE2-ND2 2.97Å; H576-N580 WeakPolarHBondContact O-CB 3.43Å; H576-N580 VanDerWaalsContact O-CG 3.28Å; H576-N580 PolarHBondContact O-N 3.23Å; H576-N580 PolarHBondContact O-ND2 3.44Å; I578-N580 VanDerWaalsContact C-N 3.28Å; I578-N580 PolarHBondContact O-N 3Å; N580-F789 PolarHBondContact ND2-O 2.83Å; N580-Q792 PolarHBondContact O-NE2 2.95Å; N580-S812 VanDerWaalsContact O-CB 3.29Å; N580-S812 WeakPolarHBondContact O-CB 3.25Å; N580-S812 PolarHBondContact O-OG 3.14Å
581	G	85	Confident	85	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.01	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.3	16	172.1	0	0	0	0	0	116.1	R577 I578 E579 V583 S709	R577-G581 PolarHBondContact O-N 3.46Å; I578-G581 WeakPolarHBondContact O-CA 3.2Å; I578-G581 PolarHBondContact O-N 3.03Å; E579-G581 PolarHBondContact O-N 3.37Å; E579-G581 VanDerWaalsContact O-N 3.13Å; G581-V583 PolarHBondContact O-N 3.41Å; G581-S709 CarbonylContact O-C 3.28Å; G581-S709 WeakPolarHBondContact O-CB 3.36Å; G581-S709 PolarHBondContact O-OG 3.39Å
582	A	87	Confident	84.7	Confident	4 Å²	4	48 Å²	48	3%	0.033	25%	0.246	C	C	.	.			trans	-62.8	135.2	171.9	0	0	0	0	0	110.6	R577	R577-A582 HydrophobicContact CG-CB 3.5Å; R577-A582 VanDerWaalsContact CG-CB 3.5Å; R577-A582 WeakPolarHBondContact O-CB 3.35Å; R577-A582 PolarHBondContact O-N 3.42Å
583	V	80.2	Confident	84.3	Confident	20 Å²	20	49.3 Å²	49.3	12%	0.121	25%	0.253	C	S	.	.			trans	-90.4	115.8	179.8	-157.7	0	0	0	0	108.8	G581 L585 G810	G581-V583 PolarHBondContact O-N 3.41Å; V583-L585 HydrophobicContact CB-CD1 4.46Å; V583-L585 HydrophobicContact CB-CG 4.28Å; V583-L585 HydrophobicContact CG1-CD1 3.9Å; V583-L585 HydrophobicContact CG1-CD2 3.86Å; V583-L585 HydrophobicContact CG1-CG 3.54Å; V583-L585 PolarHBondContact O-N 2.81Å; V583-G810 PolarHBondContact N-O 2.86Å
584	S	72.2	Confident	83.9	Confident	60 Å²	60	51.6 Å²	51.6	42%	0.42	26%	0.262	S	S	.	.			trans	-84	89.5	169.1	-156.5	0	0	0	0	109.2
585	L	68.5	Low	83.3	Confident	43 Å²	43	51.2 Å²	51.2	23%	0.225	26%	0.263	C	S	.	.			trans	-101.6	85.5	171	-62.9	171	0	0	0	107.6	V583 K587 Y746 L749	V583-L585 HydrophobicContact CB-CD1 4.46Å; V583-L585 HydrophobicContact CB-CG 4.28Å; V583-L585 HydrophobicContact CG1-CD1 3.9Å; V583-L585 HydrophobicContact CG1-CD2 3.86Å; V583-L585 HydrophobicContact CG1-CG 3.54Å; V583-L585 PolarHBondContact O-N 2.81Å; L585-K587 PolarHBondContact O-N 2.88Å; L585-Y746 HydrophobicContact CB-CD2 4.21Å; L585-Y746 HydrophobicContact CD1-CD2 4.08Å; L585-L749 HydrophobicContact CD1-CD1 3.38Å
586	E	63.6	Low	82.5	Confident	92 Å²	92	57.1 Å²	57.1	43%	0.43	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-79.3	116.1	176.5	-69.3	-176.5	-162.6	0	0	109.4	R574 H627	R574-E586 IonicContact NH2-OE1 3.3Å; E586-H627 IonicContact OE1-NE2 3.07Å
587	K	71.7	Confident	81.4	Confident	88 Å²	88	60.4 Å²	60.4	38%	0.383	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-82.7	125.3	166.6	-175.7	-177.9	177.4	-169.7	0	107.4	L585 E589 E888	L585-K587 PolarHBondContact O-N 2.88Å; K587-E589 PolarHBondContact O-N 3.29Å; K587-E888 VanDerWaalsContact NZ-CD 3.3Å; K587-E888 IonicContact NZ-OE1 3.69Å; K587-E888 PolarHBondContact NZ-OE1 3.49Å
588	L	79.1	Confident	80.2	Confident	40 Å²	40	60.7 Å²	60.7	21%	0.209	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-63.4	132.9	171.3	-63.9	174.6	0	0	0	109.6	V619 A924	L588-V619 HydrophobicContact CB-CG1 4.39Å; L588-V619 HydrophobicContact CD2-CG1 3.97Å; L588-A924 WeakPolarHBondContact CD1-O 3.4Å
589	E	81.2	Confident	78.8	Confident	81 Å²	81	60 Å²	60	38%	0.379	31%	0.312	S	S	.	.			trans	-107.3	138.5	174.4	-69.3	-178.2	171.5	0	0	108.8	K587 K620	K587-E589 PolarHBondContact O-N 3.29Å; E589-K620 HydrophobicContact CB-CB 4.14Å; E589-K620 HydrophobicContact CB-CD 4.14Å; E589-K620 VanDerWaalsContact O-CB 3.27Å; E589-K620 WeakPolarHBondContact O-CB 3.33Å; E589-K620 PolarHBondContact O-N 3.24Å; E589-K620 WeakPolarHBondContact OE2-CD 3.47Å; E589-K620 IonicContact OE2-NZ 2.82Å; E589-K620 PolarHBondContact OE2-NZ 3.41Å
590	L	88.5	Confident	77.5	Confident	22 Å²	22	59.3 Å²	59.3	12%	0.115	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	141.6	174.2	-60.5	-179.6	0	0	0	110.7	F592 F617 S618 V619 L895 F926	L590-F592 HydrophobicContact CB-CE2 3.93Å; L590-F592 HydrophobicContact CB-CZ 4.09Å; L590-F592 HydrophobicContact CD1-CZ 4.27Å; L590-F617 HydrophobicContact CD1-CD2 4.34Å; L590-F617 HydrophobicContact CD2-CD2 4.22Å; L590-S618 CarbonylContact C-O 3.56Å; L590-S618 WeakPolarHBondContact CA-O 3.27Å; L590-V619 HydrophobicContact CD2-CG2 4.25Å; L590-L895 HydrophobicContact CD1-CB 4.4Å; L590-L895 HydrophobicContact CD1-CD1 4.19Å; L590-L895 HydrophobicContact CD1-CD2 4.2Å; L590-F926 HydrophobicContact CD2-CB 4.36Å; L590-F926 HydrophobicContact CD2-CD1 4.26Å
591	N	89	Confident	76	Confident	84 Å²	84	66.3 Å²	66.3	45%	0.449	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	148.4	166	-164.4	19.7	0	0	0	109.6	F617 S618	N591-F617 CarbonylContact O-C 3.55Å; N591-F617 WeakPolarHBondContact O-CA 3.41Å; N591-F617 WeakPolarHBondContact O-CB 3.37Å; N591-S618 PolarHBondContact N-O 3.4Å; N591-S618 PolarHBondContact O-N 3.38Å
592	F	91	Very high	74.5	Confident	10 Å²	10	70.6 Å²	70.6	4%	0.044	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.6	-176.7	-67.3	-87.7	0	0	0	110.4	V464 L590 F594 P614 F617 Q891 F894 L895	V464-F592 HydrophobicContact CB-CD2 4.23Å; V464-F592 HydrophobicContact CG1-CB 3.76Å; V464-F592 HydrophobicContact CG1-CD2 3.25Å; V464-F592 HydrophobicContact CG1-CE2 3.96Å; V464-F592 HydrophobicContact CG1-CG 3.63Å; V464-F592 HydrophobicContact CG2-CD2 3.86Å; V464-F592 HydrophobicContact CG2-CE2 3.71Å; L590-F592 HydrophobicContact CB-CE2 3.93Å; L590-F592 HydrophobicContact CB-CZ 4.09Å; L590-F592 HydrophobicContact CD1-CZ 4.27Å; F592-F594 HydrophobicContact CB-CE2 4.01Å; F592-F594 WeakPolarHBondContact O-CD2 3.4Å; F592-F594 PolarHBondContact O-N 3.33Å; F592-P614 HydrophobicContact CB-CB 4.1Å; F592-P614 HydrophobicContact CD1-CB 4.22Å; F592-P614 HydrophobicContact CD1-CG 4.21Å; F592-F617 HydrophobicContact CD1-CB 3.74Å; F592-F617 HydrophobicContact CE1-CB 3.77Å; F592-Q891 HydrophobicContact CE2-CB 4.44Å; F592-Q891 HydrophobicContact CE2-CG 4.34Å; F592-Q891 WeakPolarHBondContact CZ-O 3.27Å; F592-F894 HydrophobicContact CD1-CB 3.77Å; F592-F894 HydrophobicContact CD2-CB 4.37Å; F592-F894 VanDerWaalsContact CE1-C 3.49Å; F592-F894 HydrophobicContact CE1-CB 3.45Å; F592-F894 VanDerWaalsContact CE1-CB 3.45Å; F592-F894 HydrophobicContact CE2-CB 4.08Å; F592-F894 HydrophobicContact CG-CB 4.21Å; F592-F894 HydrophobicContact CZ-CB 3.61Å; F592-L895 HydrophobicContact CE1-CB 4.34Å; F592-L895 HydrophobicContact CZ-CB 4.28Å
593	N	88.2	Confident	72.9	Confident	83 Å²	83	75.3 Å²	75.3	44%	0.444	39%	0.39	S	S	.	.			trans	-88.5	105.4	-177.1	-67.7	-23.8	0	0	0	109.2	P614 Q615 G616	N593-P614 CarbonylContact O-C 3.52Å; N593-Q615 PolarHBondContact O-N 3.2Å; N593-G616 PolarHBondContact N-O 2.96Å
594	F	85.9	Confident	71.5	Confident	72 Å²	72	79.7 Å²	79.7	32%	0.316	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-84.8	143.5	178	-74.3	-86.5	0	0	0	112	V464 Q465 F592 T611 R612 F894	V464-F594 HydrophobicContact CG1-CE2 3.88Å; V464-F594 HydrophobicContact CG1-CZ 3.79Å; Q465-F594 HydrophobicContact CB-CE1 4.01Å; Q465-F594 HydrophobicContact CB-CZ 3.66Å; F592-F594 HydrophobicContact CB-CE2 4.01Å; F592-F594 WeakPolarHBondContact O-CD2 3.4Å; F592-F594 PolarHBondContact O-N 3.33Å; F594-T611 HydrophobicContact CE1-CG2 4.29Å; F594-R612 WeakPolarHBondContact CD1-O 3.21Å; F594-R612 WeakPolarHBondContact CE1-O 3.48Å; F594-F894 HydrophobicContact CE1-CD1 4.37Å; F594-F894 AromaticContact CE1-CE1 3.6Å; F594-F894 HydrophobicContact CE1-CE1 3.6Å; F594-F894 HydrophobicContact CE1-CZ 4.46Å; F594-F894 AromaticContact CZ-CD1 3.99Å; F594-F894 HydrophobicContact CZ-CD1 3.99Å; F594-F894 AromaticContact CZ-CE1 3.41Å; F594-F894 HydrophobicContact CZ-CE1 3.41Å; F594-F894 VanDerWaalsContact CZ-CE1 3.41Å; F594-F894 HydrophobicContact CZ-CZ 4.21Å
595	P	82.9	Confident	70.4	Confident	20 Å²	20	82.1 Å²	82.1	13%	0.13	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-64.5	154	170.9	30.1	-33.6	0	0	0	109.8	R612 W613 Q615	P595-R612 HydrophobicContact CG-CB 3.76Å; P595-W613 WeakPolarHBondContact CD-O 3.38Å; P595-Q615 HydrophobicContact CB-CG 3.97Å; P595-Q615 HydrophobicContact CG-CG 4.35Å
596	K	75.2	Confident	69.2	Low	182 Å²	182	84.5 Å²	84.5	79%	0.791	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-53.2	143.7	177.7	-68.6	-175	-179.6	178.1	0	110.9	L598 R612	K596-L598 PolarHBondContact O-N 3.16Å; K596-R612 PolarHBondContact O-NH2 3.07Å
597	P	68.1	Low	68.3	Low	113 Å²	113	90.4 Å²	90.4	73%	0.734	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-55.3	138.7	175.6	-21.2	30.5	0	0	0	110.7
598	L	65.7	Low	66.9	Low	31 Å²	31	90.7 Å²	90.7	16%	0.162	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-58.5	140.2	174	-70.7	170.5	0	0	0	110.1	K596 E602 K603	K596-L598 PolarHBondContact O-N 3.16Å; L598-E602 HydrophobicContact CB-CB 3.98Å; L598-E602 HydrophobicContact CD2-CB 4.06Å; L598-E602 HydrophobicContact CD2-CG 4.43Å; L598-E602 WeakPolarHBondContact CD2-OE2 3.42Å; L598-E602 HydrophobicContact CG-CB 4.44Å; L598-K603 HydrophobicContact CB-CG 4.41Å
599	S	60.1	Low	65.6	Low	59 Å²	59	90.7 Å²	90.7	41%	0.413	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-61.4	157.9	175.5	64.4	0	0	0	0	110.8	M601 E602 K603	S599-M601 PolarHBondContact O-N 3.11Å; S599-M601 VanDerWaalsContact O-N 3.14Å; S599-E602 PolarHBondContact N-OE2 3.11Å; S599-E602 PolarHBondContact O-N 3.19Å; S599-E602 WeakPolarHBondContact OG-CG 3.5Å; S599-E602 PolarHBondContact OG-OE2 2.89Å; S599-K603 PolarHBondContact O-N 3.36Å
600	V	60.2	Low	64.5	Low	119 Å²	119	91.5 Å²	91.5	72%	0.721	50%	0.499	S	S	*	.	H	α-helix	trans	-55.6	-34.6	-178.7	-179.1	0	0	0	0	111.7	K603	V600-K603 PolarHBondContact O-N 3.38Å
601	M	52.3	Low	63.5	Low	168 Å²	168	92.4 Å²	92.4	83%	0.828	51%	0.505	S	S	*	.	H	α-helix	trans	-67.2	-39.7	176.5	-82	179.6	165.9	0	0	113.2	S599 K603 C604	S599-M601 PolarHBondContact O-N 3.11Å; S599-M601 VanDerWaalsContact O-N 3.14Å; M601-K603 VanDerWaalsContact C-N 3.31Å; M601-K603 PolarHBondContact O-N 3.26Å; M601-C604 PolarHBondContact O-N 2.78Å
602	E	54.9	Low	63.1	Low	91 Å²	91	93.7 Å²	93.7	43%	0.425	50%	0.504	S	S	.	.	H	α-helix	trans	-71.7	-24.6	178.3	-71.4	165.9	140.5	0	0	112.8	L598 S599 C604 T605	L598-E602 HydrophobicContact CB-CB 3.98Å; L598-E602 HydrophobicContact CD2-CB 4.06Å; L598-E602 HydrophobicContact CD2-CG 4.43Å; L598-E602 WeakPolarHBondContact CD2-OE2 3.42Å; L598-E602 HydrophobicContact CG-CB 4.44Å; S599-E602 PolarHBondContact N-OE2 3.11Å; S599-E602 PolarHBondContact O-N 3.19Å; S599-E602 WeakPolarHBondContact OG-CG 3.5Å; S599-E602 PolarHBondContact OG-OE2 2.89Å; E602-C604 VanDerWaalsContact C-N 3.29Å; E602-C604 PolarHBondContact O-N 2.89Å; E602-T605 PolarHBondContact O-OG1 3.43Å
603	K	52.9	Low	62.9	Low	104 Å²	104	95.6 Å²	95.6	45%	0.452	51%	0.511	S	S	.	.	H	α-helix	trans	-68.3	-26.3	174.9	-71.4	-175.7	-179.9	-176.6	0	113.3	L598 S599 V600 M601	L598-K603 HydrophobicContact CB-CG 4.41Å; S599-K603 PolarHBondContact O-N 3.36Å; V600-K603 PolarHBondContact O-N 3.38Å; M601-K603 VanDerWaalsContact C-N 3.31Å; M601-K603 PolarHBondContact O-N 3.26Å
604	C	50	Low	62.9	Low	111 Å²	111	91.7 Å²	91.7	75%	0.75	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-17.2	-177.5	-67.2	0	0	0	0	113.6	M601 E602	M601-C604 PolarHBondContact O-N 2.78Å; E602-C604 VanDerWaalsContact C-N 3.29Å; E602-C604 PolarHBondContact O-N 2.89Å
605	T	49.5	Very low	63	Low	111 Å²	111	93.7 Å²	93.7	68%	0.681	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-19.6	-177.3	53.2	0	0	0	0	113.8	E602	E602-T605 PolarHBondContact O-OG1 3.43Å
606	N	42.5	Very low	63.3	Low	94 Å²	94	93.5 Å²	93.5	50%	0.503	50%	0.502	S	S	.	.			trans	-114.8	113	179.6	-72.3	-18.4	0	0	0	109.6	C608	N606-C608 PolarHBondContact O-N 3.42Å
607	E	45.4	Very low	64	Low	216 Å²	216	86.9 Å²	86.9	100%	1.009	47%	0.474	S	S	*	.			trans	-66.5	9	166.6	-67.9	-174.1	158.2	0	0	113
608	C	43.2	Very low	65	Low	93 Å²	93	83.7 Å²	83.7	63%	0.628	45%	0.454	S	S	*	.	S	Bend	trans	-102.5	140.6	-172.9	-145.2	0	0	0	0	110.9	N606	N606-C608 PolarHBondContact O-N 3.42Å
609	S	51.6	Low	66.1	Low	40 Å²	40	84.2 Å²	84.2	28%	0.28	46%	0.458	S	S	.	.			trans	-14.3	129.5	177.5	165.5	0	0	0	0	116.5	E356 T611	E356-S609 PolarHBondContact OE1-OG 3.48Å; S609-T611 PolarHBondContact O-N 2.76Å; S609-T611 PolarHBondContact OG-N 3.35Å; S609-T611 PolarHBondContact OG-O 3.22Å
610	T	57.8	Low	67.3	Low	98 Å²	98	85.7 Å²	85.7	60%	0.601	46%	0.457	S	S	*	.	S	Bend	trans	-60.4	-18.1	172	51.5	0	0	0	0	113.6
611	T	66.7	Low	68.5	Low	41 Å²	41	85.7 Å²	85.7	25%	0.252	46%	0.457	S	S	.	.			trans	-109.6	124.7	-172	-38.5	0	0	0	0	109.6	L355 Q465 F594 S609	L355-T611 HydrophobicContact CD2-CG2 4.27Å; Q465-T611 HydrophobicContact CB-CG2 3.83Å; Q465-T611 HydrophobicContact CG-CG2 4Å; F594-T611 HydrophobicContact CE1-CG2 4.29Å; S609-T611 PolarHBondContact O-N 2.76Å; S609-T611 PolarHBondContact OG-N 3.35Å; S609-T611 PolarHBondContact OG-O 3.22Å
612	R	80.5	Confident	70.2	Confident	111 Å²	111	82.6 Å²	82.6	42%	0.419	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-100.2	161.6	-179.2	-67.6	-172.5	-74.8	176.2	-7.9	110.8	F594 P595 K596	F594-R612 WeakPolarHBondContact CD1-O 3.21Å; F594-R612 WeakPolarHBondContact CE1-O 3.48Å; P595-R612 HydrophobicContact CG-CB 3.76Å; K596-R612 PolarHBondContact O-NH2 3.07Å
613	W	87.2	Confident	72	Confident	50 Å²	50	79 Å²	79	19%	0.189	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-54.4	148.9	168.7	-69.7	116.4	0	0	0	111.2	N353 L355 A358 P595 L893 A897	N353-W613 VanDerWaalsContact O-CZ2 3.31Å; N353-W613 WeakPolarHBondContact O-CZ2 3.2Å; N353-W613 PolarHBondContact O-NE1 3.29Å; L355-W613 VanDerWaalsContact CA-CZ2 3.46Å; L355-W613 HydrophobicContact CB-CD2 4.12Å; L355-W613 HydrophobicContact CB-CE3 4.35Å; L355-W613 HydrophobicContact CB-CH2 4.01Å; L355-W613 HydrophobicContact CB-CZ2 3.74Å; L355-W613 HydrophobicContact CB-CZ3 4.3Å; L355-W613 HydrophobicContact CD1-CD2 4.5Å; L355-W613 HydrophobicContact CD1-CE3 3.88Å; L355-W613 HydrophobicContact CD1-CH2 3.78Å; L355-W613 HydrophobicContact CD1-CZ2 4.39Å; L355-W613 HydrophobicContact CD1-CZ3 3.49Å; L355-W613 VanDerWaalsContact CD1-CZ3 3.49Å; L355-W613 HydrophobicContact CG-CZ3 4.43Å; A358-W613 HydrophobicContact CB-CH2 4.45Å; P595-W613 WeakPolarHBondContact CD-O 3.38Å; W613-L893 HydrophobicContact CH2-CD1 4.19Å; W613-L893 HydrophobicContact CH2-CG 4.36Å; W613-L893 HydrophobicContact CZ3-CD1 4.48Å; W613-L893 HydrophobicContact CZ3-CG 4.28Å; W613-A897 HydrophobicContact CD2-CB 4.15Å; W613-A897 HydrophobicContact CE3-CB 3.42Å; W613-A897 VanDerWaalsContact CE3-CB 3.42Å; W613-A897 HydrophobicContact CH2-CB 4.3Å; W613-A897 HydrophobicContact CZ3-CB 3.51Å
614	P	88.4	Confident	73.9	Confident	2 Å²	2	75.9 Å²	75.9	1%	0.013	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-67.3	152.8	-179.7	32.6	-38.9	0	0	0	111.3	F592 N593 G616 F894 C898 Y902	F592-P614 HydrophobicContact CB-CB 4.1Å; F592-P614 HydrophobicContact CD1-CB 4.22Å; F592-P614 HydrophobicContact CD1-CG 4.21Å; N593-P614 CarbonylContact O-C 3.52Å; P614-G616 VanDerWaalsContact C-N 3.34Å; P614-F894 HydrophobicContact CB-CD1 4.36Å; P614-F894 HydrophobicContact CG-CD1 3.77Å; P614-C898 WeakPolarHBondContact CG-SG 3.5Å; P614-Y902 WeakPolarHBondContact O-CE2 3.36Å
615	Q	87.8	Confident	76.1	Confident	113 Å²	113	70.6 Å²	70.6	53%	0.528	38%	0.375	S	S	.	.	S	Bend	trans	-86.6	-4.7	174.7	-63.1	-174.4	-56.8	0	0	114.1	N593 P595 Y902	N593-Q615 PolarHBondContact O-N 3.2Å; P595-Q615 HydrophobicContact CB-CG 3.97Å; P595-Q615 HydrophobicContact CG-CG 4.35Å; Q615-Y902 VanDerWaalsContact C-CE2 3.44Å; Q615-Y902 VanDerWaalsContact CA-OH 3.26Å; Q615-Y902 WeakPolarHBondContact CA-OH 3.45Å; Q615-Y902 WeakPolarHBondContact O-CE2 3.43Å; Q615-Y902 VanDerWaalsContact O-CZ 3.28Å
616	G	89.1	Confident	78.3	Confident	16 Å²	16	66.2 Å²	66.2	17%	0.165	35%	0.347	C	S	.	.			trans	160.2	178.9	-175.8	0	0	0	0	0	110.9	N593 P614	N593-G616 PolarHBondContact N-O 2.96Å; P614-G616 VanDerWaalsContact C-N 3.34Å
617	F	90.9	Very high	80.7	Confident	44 Å²	44	63.9 Å²	63.9	19%	0.193	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	159.4	179.3	66.4	-83	0	0	0	111	L590 N591 F592 L895 C898 F905 F926	L590-F617 HydrophobicContact CD1-CD2 4.34Å; L590-F617 HydrophobicContact CD2-CD2 4.22Å; N591-F617 CarbonylContact O-C 3.55Å; N591-F617 WeakPolarHBondContact O-CA 3.41Å; N591-F617 WeakPolarHBondContact O-CB 3.37Å; F592-F617 HydrophobicContact CD1-CB 3.74Å; F592-F617 HydrophobicContact CE1-CB 3.77Å; F617-L895 HydrophobicContact CD1-CD1 3.98Å; F617-L895 HydrophobicContact CD2-CD1 4.08Å; F617-L895 HydrophobicContact CE1-CD1 3.71Å; F617-L895 HydrophobicContact CE2-CD1 3.79Å; F617-L895 HydrophobicContact CG-CD1 4.17Å; F617-L895 HydrophobicContact CZ-CD1 3.61Å; F617-C898 HydrophobicContact CD1-CB 3.75Å; F617-C898 HydrophobicContact CE1-CB 4.16Å; F617-F905 HydrophobicContact CZ-CD1 4.12Å; F617-F905 AromaticContact CZ-CE1 3.87Å; F617-F905 HydrophobicContact CZ-CE1 3.87Å; F617-F926 HydrophobicContact CD2-CD1 4.24Å; F617-F926 HydrophobicContact CD2-CE1 4.28Å; F617-F926 AromaticContact CE2-CD1 3.58Å; F617-F926 HydrophobicContact CE2-CD1 3.58Å; F617-F926 AromaticContact CE2-CE1 3.57Å; F617-F926 HydrophobicContact CE2-CE1 3.57Å; F617-F926 HydrophobicContact CE2-CG 4.12Å; F617-F926 HydrophobicContact CE2-CZ 4.12Å; F617-F926 HydrophobicContact CZ-CE1 4.4Å
618	S	89.5	Confident	83.2	Confident	46 Å²	46	53.7 Å²	53.7	32%	0.322	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	165.9	174.8	62	0	0	0	0	110.2	L590 N591	L590-S618 CarbonylContact C-O 3.56Å; L590-S618 WeakPolarHBondContact CA-O 3.27Å; N591-S618 PolarHBondContact N-O 3.4Å; N591-S618 PolarHBondContact O-N 3.38Å
619	V	88.3	Confident	85.8	Confident	42 Å²	42	49.7 Å²	49.7	26%	0.255	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	133.7	173.7	-177.3	0	0	0	0	108.8	L588 L590 V621 S925 F926	L588-V619 HydrophobicContact CB-CG1 4.39Å; L588-V619 HydrophobicContact CD2-CG1 3.97Å; L590-V619 HydrophobicContact CD2-CG2 4.25Å; V619-V621 PolarHBondContact O-N 2.89Å; V619-S925 WeakPolarHBondContact CG2-O 3.44Å; V619-F926 HydrophobicContact CG2-CD1 3.72Å; V619-F926 HydrophobicContact CG2-CE1 4.21Å
620	K	85.9	Confident	87.9	Confident	89 Å²	89	50.2 Å²	50.2	39%	0.387	26%	0.255	S	S	.	.			trans	-69.5	114.4	175.7	-172.8	176.1	174.3	-174.3	0	109.6	E589	E589-K620 HydrophobicContact CB-CB 4.14Å; E589-K620 HydrophobicContact CB-CD 4.14Å; E589-K620 VanDerWaalsContact O-CB 3.27Å; E589-K620 WeakPolarHBondContact O-CB 3.33Å; E589-K620 PolarHBondContact O-N 3.24Å; E589-K620 WeakPolarHBondContact OE2-CD 3.47Å; E589-K620 IonicContact OE2-NZ 2.82Å; E589-K620 PolarHBondContact OE2-NZ 3.41Å
621	V	84.8	Confident	89.8	Confident	120 Å²	120	45.7 Å²	45.7	73%	0.727	23%	0.227	S	C	*	.			trans	-80.3	125.9	178.5	-176.8	0	0	0	0	109.4	V619	V619-V621 PolarHBondContact O-N 2.89Å
622	R	87.6	Confident	91.3	Very high	102 Å²	102	43.8 Å²	43.8	39%	0.385	22%	0.216	S	C	.	.			trans	-95.6	128	170.1	-64.7	177.4	74.2	107.6	-4.1	108.8	E630	R622-E630 IonicContact NH2-OE2 3.48Å; R622-E630 PolarHBondContact NH2-OE2 2.59Å
623	N	91.7	Very high	92.1	Very high	15 Å²	15	39.3 Å²	39.3	8%	0.08	20%	0.2	C	C	.	.			trans	-104.3	170	172.9	69.3	22.8	0	0	0	110.2	Y521 D522 W525 A625 H626	Y521-N623 PolarHBondContact O-ND2 2.63Å; Y521-N623 VanDerWaalsContact O-ND2 3.09Å; D522-N623 PolarHBondContact OD1-ND2 3.14Å; W525-N623 HydrophobicContact CG-CB 4.23Å; N623-A625 PolarHBondContact O-N 3.3Å; N623-A625 VanDerWaalsContact O-N 3.09Å; N623-A625 WeakPolarHBondContact OD1-CB 3.4Å; N623-A625 PolarHBondContact OD1-N 2.87Å; N623-A625 VanDerWaalsContact OD1-N 3.1Å; N623-H626 PolarHBondContact N-ND1 2.9Å; N623-H626 WeakPolarHBondContact O-CB 3.33Å; N623-H626 PolarHBondContact O-N 3.46Å; N623-H626 PolarHBondContact O-ND1 3.45Å; N623-H626 PolarHBondContact OD1-N 3.37Å; N623-H626 PolarHBondContact OD1-ND1 2.94Å
624	P	94.3	Very high	92.6	Very high	40 Å²	40	37.5 Å²	37.5	26%	0.26	19%	0.193	S	C	.	.	H	α-helix	trans	-61.8	-17.8	-178.5	-26	36.4	0	0	0	115.6	W525 H626 H627 L628	W525-P624 HydrophobicContact CD2-CB 4.4Å; W525-P624 HydrophobicContact CD2-CG 4.21Å; W525-P624 HydrophobicContact CE3-CB 3.81Å; W525-P624 HydrophobicContact CE3-CG 4.03Å; W525-P624 HydrophobicContact CH2-CB 3.96Å; W525-P624 HydrophobicContact CH2-CG 3.61Å; W525-P624 HydrophobicContact CZ2-CB 4.49Å; W525-P624 HydrophobicContact CZ2-CG 3.75Å; W525-P624 HydrophobicContact CZ3-CB 3.57Å; W525-P624 HydrophobicContact CZ3-CG 3.75Å; P624-H626 VanDerWaalsContact C-N 3.27Å; P624-H626 PolarHBondContact O-N 3.06Å; P624-H627 PolarHBondContact O-N 2.95Å; P624-L628 PolarHBondContact O-N 3.07Å
625	A	95.5	Very high	93	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68.8	-26	172.8	0	0	0	0	0	112.4	Y521 A524 W525 N623 H627 L628 I629	Y521-A625 HydrophobicContact CD1-CB 4.17Å; Y521-A625 WeakPolarHBondContact O-CB 3.26Å; A524-A625 HydrophobicContact CB-CB 4.1Å; W525-A625 HydrophobicContact CB-CB 4.11Å; N623-A625 PolarHBondContact O-N 3.3Å; N623-A625 VanDerWaalsContact O-N 3.09Å; N623-A625 WeakPolarHBondContact OD1-CB 3.4Å; N623-A625 PolarHBondContact OD1-N 2.87Å; N623-A625 VanDerWaalsContact OD1-N 3.1Å; A625-H627 VanDerWaalsContact C-N 3.33Å; A625-L628 WeakPolarHBondContact O-CB 3.16Å; A625-L628 PolarHBondContact O-N 2.94Å; A625-I629 PolarHBondContact O-N 3.46Å
626	H	95.1	Very high	93.5	Very high	18 Å²	18	32.3 Å²	32.3	8%	0.083	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-42.3	170.4	-69	74.4	0	0	0	110.9	Y521 N623 P624 L628 I629 E630	Y521-H626 VanDerWaalsContact CB-CE1 3.44Å; Y521-H626 WeakPolarHBondContact CB-CE1 3.09Å; Y521-H626 AromaticContact CD1-CG 3.97Å; Y521-H626 AromaticContact CD1-ND1 3.92Å; Y521-H626 AromaticContact CD2-CD2 3.8Å; Y521-H626 AromaticContact CD2-CE1 3.6Å; Y521-H626 AromaticContact CD2-NE2 3.35Å; Y521-H626 WeakPolarHBondContact CD2-NE2 3.37Å; Y521-H626 AromaticContact CE2-CD2 3.83Å; Y521-H626 AromaticContact CE2-NE2 3.78Å; Y521-H626 AromaticContact CG-CD2 4Å; Y521-H626 AromaticContact CG-CE1 3.47Å; Y521-H626 VanDerWaalsContact CG-CE1 3.47Å; Y521-H626 AromaticContact CG-ND1 3.67Å; Y521-H626 AromaticContact CG-NE2 3.69Å; N623-H626 PolarHBondContact N-ND1 2.9Å; N623-H626 WeakPolarHBondContact O-CB 3.33Å; N623-H626 PolarHBondContact O-N 3.46Å; N623-H626 PolarHBondContact O-ND1 3.45Å; N623-H626 PolarHBondContact OD1-N 3.37Å; N623-H626 PolarHBondContact OD1-ND1 2.94Å; P624-H626 VanDerWaalsContact C-N 3.27Å; P624-H626 PolarHBondContact O-N 3.06Å; H626-L628 VanDerWaalsContact C-N 3.35Å; H626-I629 PolarHBondContact O-N 2.83Å; H626-E630 VanDerWaalsContact O-CB 3.31Å; H626-E630 WeakPolarHBondContact O-CB 3.28Å; H626-E630 PolarHBondContact O-N 3.45Å
627	H	94.5	Very high	93.9	Very high	46 Å²	46	31.7 Å²	31.7	21%	0.213	16%	0.163	C	C	.	.	H	α-helix	trans	-67.2	-36.5	177.4	-58.7	154.8	0	0	0	111.7	R574 E586 P624 A625 I629 E630 E631	R574-H627 PolarHBondContact NH2-NE2 3.2Å; E586-H627 IonicContact OE1-NE2 3.07Å; P624-H627 PolarHBondContact O-N 2.95Å; A625-H627 VanDerWaalsContact C-N 3.33Å; H627-I629 PolarHBondContact O-N 2.93Å; H627-E630 IonicContact CD2-OE2 2.94Å; H627-E630 PolarHBondContact O-N 2.87Å; H627-E631 WeakPolarHBondContact O-CG 3.5Å; H627-E631 PolarHBondContact O-N 2.86Å
628	L	97.3	Very high	94.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-52.7	-55.1	173.8	-178.9	163.6	0	0	0	111	I409 L421 I528 L566 H567 A570 P624 A625 H626 W632	I409-L628 HydrophobicContact CD1-CD2 4.18Å; L421-L628 HydrophobicContact CD1-CD2 4.04Å; I528-L628 HydrophobicContact CD1-CD1 3.94Å; L566-L628 HydrophobicContact CB-CD1 4.24Å; L566-L628 HydrophobicContact CB-CD2 4.48Å; L566-L628 HydrophobicContact CB-CG 4.46Å; H567-L628 HydrophobicContact CB-CD1 3.82Å; A570-L628 HydrophobicContact CB-CG 4.48Å; P624-L628 PolarHBondContact O-N 3.07Å; A625-L628 WeakPolarHBondContact O-CB 3.16Å; A625-L628 PolarHBondContact O-N 2.94Å; H626-L628 VanDerWaalsContact C-N 3.35Å; L628-W632 PolarHBondContact O-N 3.18Å
629	I	97.7	Very high	94.6	Very high	9 Å²	9	28.1 Å²	28.1	5%	0.046	14%	0.141	C	C	.	.	H	α-helix	trans	-67	-42.5	179.8	-65.3	-60.2	0	0	0	111.1	I409 L421 Y521 A625 H626 H627 E631 W632 M633	I409-I629 HydrophobicContact CB-CD1 3.89Å; I409-I629 HydrophobicContact CB-CG1 3.92Å; I409-I629 HydrophobicContact CD1-CD1 4Å; I409-I629 HydrophobicContact CD1-CG1 4.38Å; I409-I629 HydrophobicContact CG1-CD1 4.17Å; I409-I629 HydrophobicContact CG2-CG1 4.32Å; L421-I629 HydrophobicContact CD1-CD1 3.58Å; Y521-I629 HydrophobicContact CE1-CB 4.2Å; Y521-I629 HydrophobicContact CE1-CG1 3.91Å; A625-I629 PolarHBondContact O-N 3.46Å; H626-I629 PolarHBondContact O-N 2.83Å; H627-I629 PolarHBondContact O-N 2.93Å; I629-E631 PolarHBondContact O-N 2.97Å; I629-W632 PolarHBondContact O-N 2.82Å; I629-M633 HydrophobicContact CG2-CG 3.97Å; I629-M633 WeakPolarHBondContact O-CB 3.47Å; I629-M633 VanDerWaalsContact O-CG 3.26Å; I629-M633 WeakPolarHBondContact O-CG 3.32Å; I629-M633 PolarHBondContact O-N 3.02Å
630	E	95.7	Very high	95	Very high	51 Å²	51	26.1 Å²	26.1	24%	0.238	13%	0.129	C	C	.	.	H	α-helix	trans	-53.9	-48.9	179.2	-174.1	-175.9	140.5	0	0	112.4	R574 R577 R622 H626 H627 M633 I634	R574-E630 IonicContact NH1-OE1 3.1Å; R574-E630 PolarHBondContact NH1-OE1 2.92Å; R574-E630 VanDerWaalsContact NH1-OE1 3.1Å; R574-E630 IonicContact NH1-OE2 2.77Å; R577-E630 IonicContact NH2-OE1 3.84Å; R577-E630 PolarHBondContact NH2-OE1 3.44Å; R622-E630 IonicContact NH2-OE2 3.48Å; R622-E630 PolarHBondContact NH2-OE2 2.59Å; H626-E630 VanDerWaalsContact O-CB 3.31Å; H626-E630 WeakPolarHBondContact O-CB 3.28Å; H626-E630 PolarHBondContact O-N 3.45Å; H627-E630 IonicContact CD2-OE2 2.94Å; H627-E630 PolarHBondContact O-N 2.87Å; E630-M633 PolarHBondContact O-N 3.47Å; E630-I634 HydrophobicContact CG-CD1 3.94Å; E630-I634 VanDerWaalsContact O-CG1 3.27Å; E630-I634 WeakPolarHBondContact O-CG1 3.47Å; E630-I634 PolarHBondContact O-N 3.1Å
631	E	96.8	Very high	95.5	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-67	-43.3	-178.6	-61.3	-43.6	139.6	0	0	112.3	A570 L573 R574 R577 H627 I629 M633 I634 V635	A570-E631 HydrophobicContact CB-CB 4.11Å; A570-E631 HydrophobicContact CB-CG 4.35Å; A570-E631 WeakPolarHBondContact O-CG 3.22Å; L573-E631 HydrophobicContact CB-CB 4.32Å; L573-E631 HydrophobicContact CB-CG 4.46Å; R574-E631 HydrophobicContact CB-CG 3.8Å; R574-E631 WeakPolarHBondContact CB-OE1 3.11Å; R574-E631 WeakPolarHBondContact CD-OE1 3.39Å; R574-E631 VanDerWaalsContact CG-OE1 3.27Å; R574-E631 WeakPolarHBondContact CG-OE1 3.29Å; R574-E631 IonicContact CZ-OE1 3.07Å; R574-E631 IonicContact NH1-OE1 3.63Å; R574-E631 PolarHBondContact NH1-OE1 3.05Å; R577-E631 IonicContact CZ-OE1 3.59Å; R577-E631 IonicContact CZ-OE2 2.69Å; R577-E631 IonicContact NE-OE1 3.96Å; R577-E631 IonicContact NE-OE2 3.78Å; R577-E631 PolarHBondContact NE-OE2 3.02Å; R577-E631 IonicContact NH2-OE1 3.99Å; R577-E631 PolarHBondContact NH2-OE1 3.49Å; R577-E631 IonicContact NH2-OE2 2.66Å; R577-E631 PolarHBondContact NH2-OE2 2.91Å; H627-E631 WeakPolarHBondContact O-CG 3.5Å; H627-E631 PolarHBondContact O-N 2.86Å; I629-E631 PolarHBondContact O-N 2.97Å; E631-M633 VanDerWaalsContact C-N 3.3Å; E631-M633 PolarHBondContact O-N 2.91Å; E631-I634 PolarHBondContact O-N 2.94Å; E631-V635 WeakPolarHBondContact O-CG2 3.5Å; E631-V635 PolarHBondContact O-N 3.32Å
632	W	98.2	Very high	96	Very high	1 Å²	1	16.3 Å²	16.3	0%	0.004	8%	0.077	C	C	.	.	H	α-helix	trans	-63.4	-37.8	177.8	-74.3	116.3	0	0	0	111.9	L421 V433 I435 L495 V497 L566 I569 L573 L628 I629 V635 A636	L421-W632 HydrophobicContact CD1-CB 4.1Å; L421-W632 HydrophobicContact CD1-CG 4.04Å; L421-W632 HydrophobicContact CD2-CB 4.03Å; L421-W632 HydrophobicContact CD2-CG 4.27Å; V433-W632 HydrophobicContact CB-CH2 3.94Å; V433-W632 HydrophobicContact CB-CZ3 3.96Å; V433-W632 HydrophobicContact CG1-CD2 4.2Å; V433-W632 HydrophobicContact CG1-CE3 3.83Å; V433-W632 HydrophobicContact CG1-CH2 3.79Å; V433-W632 HydrophobicContact CG1-CZ2 4.12Å; V433-W632 HydrophobicContact CG1-CZ3 3.62Å; V433-W632 HydrophobicContact CG2-CH2 3.55Å; V433-W632 HydrophobicContact CG2-CZ2 4.01Å; V433-W632 HydrophobicContact CG2-CZ3 4.1Å; I435-W632 HydrophobicContact CD1-CE3 3.99Å; I435-W632 WeakPolarHBondContact CD1-O 3.41Å; L495-W632 HydrophobicContact CD1-CZ3 4.33Å; V497-W632 HydrophobicContact CG2-CH2 4.32Å; L566-W632 HydrophobicContact CD2-CD2 4.41Å; L566-W632 HydrophobicContact CD2-CZ2 3.82Å; L566-W632 PolarHBondContact O-NE1 3.14Å; I569-W632 HydrophobicContact CB-CH2 4.34Å; I569-W632 HydrophobicContact CB-CZ2 3.94Å; I569-W632 HydrophobicContact CG2-CH2 3.75Å; I569-W632 HydrophobicContact CG2-CZ2 3.83Å; L573-W632 HydrophobicContact CD1-CH2 4.34Å; L573-W632 HydrophobicContact CD1-CZ3 4.38Å; L628-W632 PolarHBondContact O-N 3.18Å; I629-W632 PolarHBondContact O-N 2.82Å; W632-V635 PolarHBondContact O-N 3.49Å; W632-A636 WeakPolarHBondContact O-CB 3.39Å; W632-A636 PolarHBondContact O-N 2.88Å
633	M	98.1	Very high	96.4	Very high	18 Å²	18	13 Å²	13	9%	0.089	7%	0.065	C	C	.	.	H	α-helix	trans	-68.5	-38.1	174.4	-65.7	-53.7	111.9	0	0	112.3	D419 L421 I435 I437 I629 E630 E631 N637 T820	D419-M633 HydrophobicContact CB-CE 3.68Å; D419-M633 HydrophobicContact CB-SD 3.65Å; L421-M633 HydrophobicContact CD2-CE 4.15Å; I435-M633 HydrophobicContact CG2-CE 3.74Å; I437-M633 HydrophobicContact CD1-SD 4.22Å; I629-M633 HydrophobicContact CG2-CG 3.97Å; I629-M633 WeakPolarHBondContact O-CB 3.47Å; I629-M633 VanDerWaalsContact O-CG 3.26Å; I629-M633 WeakPolarHBondContact O-CG 3.32Å; I629-M633 PolarHBondContact O-N 3.02Å; E630-M633 PolarHBondContact O-N 3.47Å; E631-M633 VanDerWaalsContact C-N 3.3Å; E631-M633 PolarHBondContact O-N 2.91Å; M633-N637 WeakPolarHBondContact O-CB 3.31Å; M633-N637 VanDerWaalsContact O-CG 3.24Å; M633-N637 PolarHBondContact O-N 3.13Å; M633-N637 PolarHBondContact O-ND2 2.77Å; M633-T820 HydrophobicContact CB-CG2 4.31Å; M633-T820 WeakPolarHBondContact SD-CB 3.32Å; M633-T820 HydrophobicContact SD-CG2 3.57Å; M633-T820 VanDerWaalsContact SD-CG2 3.57Å
634	I	96.8	Very high	96.5	Very high	11 Å²	11	12.2 Å²	12.2	6%	0.056	6%	0.061	C	C	.	.	H	α-helix	trans	-62.1	-47.7	173.7	-72.8	168.1	0	0	0	110.1	E630 E631 A636 N637 Q638 L811 Y816	E630-I634 HydrophobicContact CG-CD1 3.94Å; E630-I634 VanDerWaalsContact O-CG1 3.27Å; E630-I634 WeakPolarHBondContact O-CG1 3.47Å; E630-I634 PolarHBondContact O-N 3.1Å; E631-I634 PolarHBondContact O-N 2.94Å; I634-A636 PolarHBondContact O-N 3.24Å; I634-N637 PolarHBondContact O-N 3.27Å; I634-Q638 HydrophobicContact CG2-CG 4.36Å; I634-Q638 VanDerWaalsContact CG2-NE2 3.27Å; I634-Q638 VanDerWaalsContact O-CG 3.31Å; I634-Q638 WeakPolarHBondContact O-CG 3.07Å; I634-Q638 PolarHBondContact O-N 2.66Å; I634-L811 HydrophobicContact CD1-CD2 4.13Å; I634-Y816 HydrophobicContact CG2-CE2 4.41Å
635	V	97.1	Very high	96.4	Very high	7 Å²	7	10.3 Å²	10.3	4%	0.042	5%	0.049	C	C	.	.	H	α-helix	trans	-59.3	-48.1	178.7	169.4	0	0	0	0	110.9	L495 I503 L573 E631 W632 N637 Q638 S639	L495-V635 HydrophobicContact CD1-CG1 3.4Å; L495-V635 VanDerWaalsContact CD1-CG1 3.4Å; I503-V635 HydrophobicContact CD1-CG1 3.76Å; L573-V635 HydrophobicContact CD1-CG2 3.83Å; L573-V635 HydrophobicContact CD2-CG2 4.03Å; E631-V635 WeakPolarHBondContact O-CG2 3.5Å; E631-V635 PolarHBondContact O-N 3.32Å; W632-V635 PolarHBondContact O-N 3.49Å; V635-N637 VanDerWaalsContact C-N 3.34Å; V635-N637 PolarHBondContact O-N 3.16Å; V635-Q638 WeakPolarHBondContact O-CB 2.96Å; V635-Q638 PolarHBondContact O-N 3.09Å; V635-Q638 VanDerWaalsContact O-N 3.14Å; V635-S639 PolarHBondContact O-N 3.02Å; V635-S639 PolarHBondContact O-OG 2.9Å; V635-S639 VanDerWaalsContact O-OG 3.07Å
636	A	98.3	Very high	96.3	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-54.8	-48.6	176	0	0	0	0	0	112.5	I435 I493 W632 I634 Q638 S639 V640 T820	I435-A636 HydrophobicContact CD1-CB 3.81Å; I435-A636 HydrophobicContact CG2-CB 4.05Å; I493-A636 HydrophobicContact CD1-CB 3.68Å; I493-A636 WeakPolarHBondContact CD1-O 3.37Å; W632-A636 WeakPolarHBondContact O-CB 3.39Å; W632-A636 PolarHBondContact O-N 2.88Å; I634-A636 PolarHBondContact O-N 3.24Å; A636-Q638 VanDerWaalsContact C-N 3.32Å; A636-Q638 PolarHBondContact O-N 3.35Å; A636-S639 PolarHBondContact O-N 2.78Å; A636-V640 WeakPolarHBondContact O-CG2 3.37Å; A636-V640 PolarHBondContact O-N 3.27Å; A636-T820 HydrophobicContact CB-CG2 3.64Å
637	N	98.4	Very high	96.1	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.016	5%	0.049	C	C	.	.	H	α-helix	trans	-62.9	-37.6	178.5	-76.8	-39.4	0	0	0	112.4	M633 I634 V635 A641 Y816 T817 H818 F819 T820	M633-N637 WeakPolarHBondContact O-CB 3.31Å; M633-N637 VanDerWaalsContact O-CG 3.24Å; M633-N637 PolarHBondContact O-N 3.13Å; M633-N637 PolarHBondContact O-ND2 2.77Å; I634-N637 PolarHBondContact O-N 3.27Å; V635-N637 VanDerWaalsContact C-N 3.34Å; V635-N637 PolarHBondContact O-N 3.16Å; N637-A641 WeakPolarHBondContact O-CB 3.25Å; N637-A641 PolarHBondContact O-N 3.08Å; N637-Y816 HydrophobicContact CB-CD2 4.08Å; N637-Y816 HydrophobicContact CB-CE2 3.46Å; N637-Y816 VanDerWaalsContact CB-CE2 3.46Å; N637-Y816 PolarHBondContact ND2-OH 2.69Å; N637-T817 VanDerWaalsContact CB-O 3.28Å; N637-T817 WeakPolarHBondContact CB-O 3.25Å; N637-T817 PolarHBondContact OD1-O 2.86Å; N637-H818 WeakPolarHBondContact OD1-CA 3.49Å; N637-F819 WeakPolarHBondContact OD1-CB 3.29Å; N637-F819 PolarHBondContact OD1-N 3.46Å; N637-T820 PolarHBondContact ND2-OG1 2.85Å; N637-T820 PolarHBondContact OD1-N 2.84Å
638	Q	96.8	Very high	95.8	Very high	14 Å²	14	7.9 Å²	7.9	7%	0.065	4%	0.038	C	C	.	.	H	α-helix	trans	-68.8	-45.1	174.6	-70.2	177.2	12.8	0	0	112.2	I634 V635 A636 V640 A641 R642 I813 Y816	I634-Q638 HydrophobicContact CG2-CG 4.36Å; I634-Q638 VanDerWaalsContact CG2-NE2 3.27Å; I634-Q638 VanDerWaalsContact O-CG 3.31Å; I634-Q638 WeakPolarHBondContact O-CG 3.07Å; I634-Q638 PolarHBondContact O-N 2.66Å; V635-Q638 WeakPolarHBondContact O-CB 2.96Å; V635-Q638 PolarHBondContact O-N 3.09Å; V635-Q638 VanDerWaalsContact O-N 3.14Å; A636-Q638 VanDerWaalsContact C-N 3.32Å; A636-Q638 PolarHBondContact O-N 3.35Å; Q638-V640 VanDerWaalsContact C-N 3.28Å; Q638-V640 PolarHBondContact O-N 2.92Å; Q638-A641 WeakPolarHBondContact O-CB 3.44Å; Q638-A641 PolarHBondContact O-N 2.66Å; Q638-A641 VanDerWaalsContact O-N 3.11Å; Q638-R642 VanDerWaalsContact CB-NH1 3.34Å; Q638-R642 WeakPolarHBondContact O-CG 3.41Å; Q638-R642 PolarHBondContact O-N 3.06Å; Q638-I813 HydrophobicContact CG-CD1 3.76Å; Q638-I813 VanDerWaalsContact NE2-CD1 3.31Å; Q638-Y816 HydrophobicContact CG-CD2 4.07Å
639	S	97.1	Very high	95.4	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-55	-46.1	176.3	-63.2	0	0	0	0	111.1	E506 F508 V635 A636 R642 F643	E506-S639 WeakPolarHBondContact OE1-CB 3.28Å; E506-S639 PolarHBondContact OE1-OG 3.19Å; F508-S639 WeakPolarHBondContact CZ-O 3.42Å; V635-S639 PolarHBondContact O-N 3.02Å; V635-S639 PolarHBondContact O-OG 2.9Å; V635-S639 VanDerWaalsContact O-OG 3.07Å; A636-S639 PolarHBondContact O-N 2.78Å; S639-R642 VanDerWaalsContact CA-NH2 3.3Å; S639-R642 PolarHBondContact O-N 3.3Å; S639-R642 PolarHBondContact OG-NH2 3.49Å; S639-F643 WeakPolarHBondContact O-CB 3.3Å; S639-F643 PolarHBondContact O-N 3.44Å
640	V	97.7	Very high	94.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-65.7	-42.8	175.7	170.4	0	0	0	0	112.2	I493 F508 A636 Q638 R642 F643 L644 T817 F819 V831 I835	I493-V640 HydrophobicContact CD1-CG2 3.69Å; F508-V640 HydrophobicContact CD1-CG2 4.33Å; F508-V640 HydrophobicContact CE1-CG2 3.95Å; A636-V640 WeakPolarHBondContact O-CG2 3.37Å; A636-V640 PolarHBondContact O-N 3.27Å; Q638-V640 VanDerWaalsContact C-N 3.28Å; Q638-V640 PolarHBondContact O-N 2.92Å; V640-R642 VanDerWaalsContact C-N 3.31Å; V640-R642 PolarHBondContact O-N 3.4Å; V640-F643 WeakPolarHBondContact O-CB 3.46Å; V640-F643 PolarHBondContact O-N 3.42Å; V640-L644 HydrophobicContact CG1-CD1 4.24Å; V640-L644 HydrophobicContact CG1-CG 4.39Å; V640-L644 WeakPolarHBondContact O-CG 3.35Å; V640-L644 PolarHBondContact O-N 2.99Å; V640-T817 HydrophobicContact CB-CG2 4.19Å; V640-T817 HydrophobicContact CG1-CG2 3.74Å; V640-F819 HydrophobicContact CB-CB 4.32Å; V640-F819 HydrophobicContact CB-CG 4.41Å; V640-F819 HydrophobicContact CG1-CB 4.25Å; V640-F819 HydrophobicContact CG1-CD2 4.36Å; V640-F819 HydrophobicContact CG1-CG 4.4Å; V640-F819 HydrophobicContact CG2-CB 4.12Å; V640-F819 HydrophobicContact CG2-CD1 3.81Å; V640-F819 HydrophobicContact CG2-CD2 4.01Å; V640-F819 HydrophobicContact CG2-CE1 4.2Å; V640-F819 HydrophobicContact CG2-CE2 4.38Å; V640-F819 HydrophobicContact CG2-CG 3.71Å; V640-F819 HydrophobicContact CG2-CZ 4.47Å; V640-V831 HydrophobicContact CG1-CG1 3.48Å; V640-V831 VanDerWaalsContact CG1-CG1 3.48Å; V640-I835 HydrophobicContact CB-CD1 4.18Å; V640-I835 HydrophobicContact CG1-CD1 3.35Å; V640-I835 HydrophobicContact CG1-CG1 4.07Å; V640-I835 HydrophobicContact CG2-CD1 3.77Å
641	A	97	Very high	94.3	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.5	-42.1	177.5	0	0	0	0	0	111.7	N637 Q638 L644 F645 L679 L815 T817	N637-A641 WeakPolarHBondContact O-CB 3.25Å; N637-A641 PolarHBondContact O-N 3.08Å; Q638-A641 WeakPolarHBondContact O-CB 3.44Å; Q638-A641 PolarHBondContact O-N 2.66Å; Q638-A641 VanDerWaalsContact O-N 3.11Å; A641-L644 PolarHBondContact O-N 2.94Å; A641-F645 VanDerWaalsContact O-CB 3.22Å; A641-F645 WeakPolarHBondContact O-CB 3.48Å; A641-F645 PolarHBondContact O-N 3.25Å; A641-L679 HydrophobicContact CB-CD2 3.84Å; A641-L815 HydrophobicContact CB-CB 4.01Å; A641-T817 HydrophobicContact CB-CG2 4.12Å
642	R	95.2	Very high	93.7	Very high	3 Å²	3	14.1 Å²	14.1	1%	0.011	6%	0.064	C	C	.	.	H	α-helix	trans	-61.4	-45.7	172.7	-71.8	-170.6	-64.6	-84.6	5.8	111.8	E506 Q638 S639 V640 L644 F645 G646 L784 S788 L815	E506-R642 IonicContact OE1-CZ 3.88Å; E506-R642 IonicContact OE1-NH2 3.72Å; E506-R642 PolarHBondContact OE1-NH2 3.4Å; E506-R642 IonicContact OE2-NE 3.74Å; E506-R642 IonicContact OE2-NH2 3.6Å; Q638-R642 VanDerWaalsContact CB-NH1 3.34Å; Q638-R642 WeakPolarHBondContact O-CG 3.41Å; Q638-R642 PolarHBondContact O-N 3.06Å; S639-R642 VanDerWaalsContact CA-NH2 3.3Å; S639-R642 PolarHBondContact O-N 3.3Å; S639-R642 PolarHBondContact OG-NH2 3.49Å; V640-R642 VanDerWaalsContact C-N 3.31Å; V640-R642 PolarHBondContact O-N 3.4Å; R642-L644 PolarHBondContact O-N 3.36Å; R642-F645 PolarHBondContact O-N 3.21Å; R642-G646 PolarHBondContact O-N 3.02Å; R642-L784 HydrophobicContact CB-CB 4.39Å; R642-L784 WeakPolarHBondContact CD-O 3.26Å; R642-L784 HydrophobicContact CG-CB 4.32Å; R642-S788 WeakPolarHBondContact CD-OG 3.32Å; R642-S788 VanDerWaalsContact NH1-CB 3.26Å; R642-S788 PolarHBondContact NH1-OG 3.06Å; R642-L815 HydrophobicContact CG-CD1 4.21Å
643	F	94.5	Very high	92.8	Very high	32 Å²	32	18.9 Å²	18.9	14%	0.14	9%	0.085	C	C	.	.	H	α-helix	trans	-59.2	-47.3	178.8	-178.6	-95.5	0	0	0	111.7	F508 S639 V640 N647 F658 I835 I838 L839	F508-F643 AromaticContact CD2-CD2 3.65Å; F508-F643 HydrophobicContact CD2-CD2 3.65Å; F508-F643 HydrophobicContact CD2-CE2 4.1Å; F508-F643 HydrophobicContact CD2-CG 4.18Å; F508-F643 HydrophobicContact CE1-CB 4.35Å; F508-F643 HydrophobicContact CE2-CB 3.97Å; F508-F643 AromaticContact CE2-CD2 3.7Å; F508-F643 HydrophobicContact CE2-CD2 3.7Å; F508-F643 HydrophobicContact CE2-CG 4.1Å; F508-F643 HydrophobicContact CG-CD2 4.37Å; F508-F643 HydrophobicContact CZ-CB 3.88Å; F508-F643 HydrophobicContact CZ-CD2 4.44Å; F508-F643 HydrophobicContact CZ-CG 4.4Å; S639-F643 WeakPolarHBondContact O-CB 3.3Å; S639-F643 PolarHBondContact O-N 3.44Å; V640-F643 WeakPolarHBondContact O-CB 3.46Å; V640-F643 PolarHBondContact O-N 3.42Å; F643-N647 PolarHBondContact O-N 3.08Å; F643-N647 VanDerWaalsContact O-N 3.13Å; F643-N647 PolarHBondContact O-ND2 2.87Å; F643-F658 HydrophobicContact CZ-CZ 4.48Å; F643-I835 HydrophobicContact CD1-CG1 4.43Å; F643-I835 HydrophobicContact CD1-CG2 4.12Å; F643-I835 HydrophobicContact CE1-CG2 3.81Å; F643-I838 HydrophobicContact CE1-CB 4.01Å; F643-I838 HydrophobicContact CE1-CD1 4.16Å; F643-I838 HydrophobicContact CE1-CG2 3.5Å; F643-I838 VanDerWaalsContact CE1-CG2 3.5Å; F643-I838 HydrophobicContact CZ-CB 4.41Å; F643-I838 HydrophobicContact CZ-CG2 3.55Å; F643-L839 HydrophobicContact CE2-CD2 4.25Å; F643-L839 HydrophobicContact CZ-CD2 3.71Å; F643-L839 HydrophobicContact CZ-CG 4.12Å
644	L	93.9	Very high	91.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.3	-47.5	176.4	-69.7	178.9	0	0	0	111.7	V640 A641 R642 N647 F648 A677 L679 V831 Q834 I835 I838	V640-L644 HydrophobicContact CG1-CD1 4.24Å; V640-L644 HydrophobicContact CG1-CG 4.39Å; V640-L644 WeakPolarHBondContact O-CG 3.35Å; V640-L644 PolarHBondContact O-N 2.99Å; A641-L644 PolarHBondContact O-N 2.94Å; R642-L644 PolarHBondContact O-N 3.36Å; L644-N647 PolarHBondContact O-N 3.04Å; L644-F648 WeakPolarHBondContact O-CB 3.41Å; L644-F648 PolarHBondContact O-N 2.82Å; L644-A677 HydrophobicContact CB-CB 4.01Å; L644-L679 HydrophobicContact CB-CD2 4.44Å; L644-L679 HydrophobicContact CD1-CD2 4.27Å; L644-V831 HydrophobicContact CD1-CG1 4.16Å; L644-Q834 HydrophobicContact CD2-CB 3.98Å; L644-I835 HydrophobicContact CD2-CG1 4.19Å; L644-I838 HydrophobicContact CD2-CD1 3.65Å
645	F	93.6	Very high	90.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.5	-44.5	-179.2	-173	-90.1	0	0	0	112.1	A641 R642 N647 F648 I649 L679 L757 I777 L784 M802 L803 T806 L815	A641-F645 VanDerWaalsContact O-CB 3.22Å; A641-F645 WeakPolarHBondContact O-CB 3.48Å; A641-F645 PolarHBondContact O-N 3.25Å; R642-F645 PolarHBondContact O-N 3.21Å; F645-N647 PolarHBondContact O-N 3.13Å; F645-F648 WeakPolarHBondContact O-CB 3.36Å; F645-F648 PolarHBondContact O-N 3.24Å; F645-F648 VanDerWaalsContact O-N 3.15Å; F645-I649 HydrophobicContact CD1-CG1 3.91Å; F645-I649 HydrophobicContact CE1-CD1 3.95Å; F645-I649 HydrophobicContact CE1-CG1 3.56Å; F645-I649 HydrophobicContact CZ-CD1 3.92Å; F645-I649 HydrophobicContact CZ-CG1 4.03Å; F645-I649 WeakPolarHBondContact O-CG1 3.22Å; F645-I649 PolarHBondContact O-N 3.49Å; F645-L679 HydrophobicContact CD2-CD1 4.37Å; F645-L757 HydrophobicContact CB-CD2 4.49Å; F645-L757 HydrophobicContact CD2-CD1 4.17Å; F645-L757 HydrophobicContact CD2-CD2 3.59Å; F645-L757 HydrophobicContact CE2-CD1 4.19Å; F645-L757 HydrophobicContact CE2-CD2 4.25Å; F645-L757 HydrophobicContact CG-CD2 4.38Å; F645-I777 HydrophobicContact CE1-CG2 3.73Å; F645-I777 HydrophobicContact CZ-CD1 4.39Å; F645-I777 HydrophobicContact CZ-CG2 4.16Å; F645-L784 HydrophobicContact CD1-CD2 4.07Å; F645-L784 HydrophobicContact CE1-CD2 4.47Å; F645-M802 HydrophobicContact CZ-CB 4.48Å; F645-L803 HydrophobicContact CE1-CD2 4.02Å; F645-L803 HydrophobicContact CE2-CD2 4.32Å; F645-L803 HydrophobicContact CZ-CD2 3.78Å; F645-L803 HydrophobicContact CZ-CG 4.39Å; F645-T806 HydrophobicContact CD2-CG2 4.49Å; F645-T806 HydrophobicContact CE2-CG2 4.2Å; F645-L815 HydrophobicContact CB-CD1 3.82Å; F645-L815 HydrophobicContact CB-CD2 4Å; F645-L815 HydrophobicContact CD1-CD1 3.85Å; F645-L815 HydrophobicContact CD1-CD2 4.35Å; F645-L815 HydrophobicContact CD2-CD1 4.39Å; F645-L815 HydrophobicContact CD2-CD2 3.44Å; F645-L815 VanDerWaalsContact CD2-CD2 3.44Å; F645-L815 HydrophobicContact CE2-CD2 3.95Å; F645-L815 HydrophobicContact CG-CD1 3.77Å; F645-L815 HydrophobicContact CG-CD2 3.68Å; F645-L815 HydrophobicContact CG-CG 4.41Å
646	G	91.6	Very high	88	Confident	2 Å²	2	33.3 Å²	33.3	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-60.2	-44.3	177.2	0	0	0	0	0	112.1	R642 F648 I649 K650	R642-G646 PolarHBondContact O-N 3.02Å; G646-F648 VanDerWaalsContact C-N 3.34Å; G646-F648 PolarHBondContact O-N 2.95Å; G646-I649 PolarHBondContact O-N 3.5Å; G646-K650 WeakPolarHBondContact O-CB 3.44Å; G646-K650 VanDerWaalsContact O-CG 3.32Å; G646-K650 WeakPolarHBondContact O-CG 3.49Å; G646-K650 PolarHBondContact O-N 3.35Å
647	N	91	Very high	85.5	Confident	11 Å²	11	36 Å²	36	6%	0.059	18%	0.18	C	C	.	.	H	α-helix	trans	-65.6	-36.5	174.3	-81.1	-78.9	0	0	0	112.5	F643 L644 F645 K650 R651 W674 I838	F643-N647 PolarHBondContact O-N 3.08Å; F643-N647 VanDerWaalsContact O-N 3.13Å; F643-N647 PolarHBondContact O-ND2 2.87Å; L644-N647 PolarHBondContact O-N 3.04Å; F645-N647 PolarHBondContact O-N 3.13Å; N647-K650 PolarHBondContact O-N 3.16Å; N647-R651 WeakPolarHBondContact O-CB 3.23Å; N647-R651 PolarHBondContact O-N 3.42Å; N647-W674 HydrophobicContact CB-CH2 4.45Å; N647-W674 HydrophobicContact CB-CZ3 4.06Å; N647-I838 HydrophobicContact CB-CD1 4.45Å; N647-I838 HydrophobicContact CB-CG2 4.45Å
648	F	90	Very high	83.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-46.3	172.8	171	-95.8	0	0	0	111.9	L644 F645 G646 R651 L652 W674 L757 D758 Y761 M802	L644-F648 WeakPolarHBondContact O-CB 3.41Å; L644-F648 PolarHBondContact O-N 2.82Å; F645-F648 WeakPolarHBondContact O-CB 3.36Å; F645-F648 PolarHBondContact O-N 3.24Å; F645-F648 VanDerWaalsContact O-N 3.15Å; G646-F648 VanDerWaalsContact C-N 3.34Å; G646-F648 PolarHBondContact O-N 2.95Å; F648-R651 VanDerWaalsContact CE2-NH2 3.29Å; F648-R651 WeakPolarHBondContact O-CB 3.38Å; F648-R651 PolarHBondContact O-N 2.89Å; F648-L652 HydrophobicContact CD1-CD1 4.12Å; F648-L652 HydrophobicContact CE1-CD1 3.36Å; F648-L652 HydrophobicContact CE1-CG 4.09Å; F648-L652 HydrophobicContact CE2-CD1 4.35Å; F648-L652 HydrophobicContact CE2-CG 4.39Å; F648-L652 HydrophobicContact CZ-CD1 3.49Å; F648-L652 VanDerWaalsContact CZ-CD1 3.49Å; F648-L652 HydrophobicContact CZ-CD2 4.37Å; F648-L652 HydrophobicContact CZ-CG 4Å; F648-L652 PolarHBondContact O-N 3.19Å; F648-W674 HydrophobicContact CB-CH2 4.02Å; F648-W674 HydrophobicContact CB-CZ2 3.92Å; F648-W674 HydrophobicContact CD2-CZ2 4.05Å; F648-L757 HydrophobicContact CB-CD2 3.68Å; F648-L757 HydrophobicContact CD1-CD2 3.46Å; F648-L757 VanDerWaalsContact CD1-CD2 3.46Å; F648-L757 HydrophobicContact CD1-CG 3.86Å; F648-L757 HydrophobicContact CD2-CD2 4.01Å; F648-L757 HydrophobicContact CD2-CG 4.12Å; F648-L757 HydrophobicContact CE1-CD2 4.06Å; F648-L757 HydrophobicContact CE1-CG 3.93Å; F648-L757 HydrophobicContact CE2-CG 4.2Å; F648-L757 HydrophobicContact CG-CD2 3.43Å; F648-L757 VanDerWaalsContact CG-CD2 3.43Å; F648-L757 HydrophobicContact CG-CG 3.96Å; F648-L757 HydrophobicContact CZ-CG 4.11Å; F648-D758 HydrophobicContact CE2-CB 4.48Å; F648-Y761 HydrophobicContact CZ-CD1 4.29Å; F648-Y761 HydrophobicContact CZ-CD2 4.35Å; F648-Y761 AromaticContact CZ-CG 3.84Å; F648-Y761 HydrophobicContact CZ-CG 3.84Å; F648-M802 HydrophobicContact CE1-CE 4.5Å
649	I	88.2	Confident	80.1	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-66.8	-42.5	177.2	-60.4	-65	0	0	0	111.3	F645 G646 R651 L652 K653 L774 I777 Y779	F645-I649 HydrophobicContact CD1-CG1 3.91Å; F645-I649 HydrophobicContact CE1-CD1 3.95Å; F645-I649 HydrophobicContact CE1-CG1 3.56Å; F645-I649 HydrophobicContact CZ-CD1 3.92Å; F645-I649 HydrophobicContact CZ-CG1 4.03Å; F645-I649 WeakPolarHBondContact O-CG1 3.22Å; F645-I649 PolarHBondContact O-N 3.49Å; G646-I649 PolarHBondContact O-N 3.5Å; I649-R651 VanDerWaalsContact C-N 3.28Å; I649-R651 PolarHBondContact O-N 3.32Å; I649-L652 PolarHBondContact O-N 2.98Å; I649-L652 VanDerWaalsContact O-N 3.16Å; I649-K653 HydrophobicContact CG2-CD 4.26Å; I649-K653 HydrophobicContact CG2-CG 4.45Å; I649-K653 PolarHBondContact O-N 3.29Å; I649-L774 HydrophobicContact CD1-CD2 3.73Å; I649-I777 HydrophobicContact CD1-CG2 4.06Å; I649-I777 HydrophobicContact CG1-CG2 4.11Å; I649-Y779 HydrophobicContact CG2-CD1 4.17Å
650	K	86	Confident	77.2	Confident	43 Å²	43	54.1 Å²	54.1	19%	0.187	27%	0.267	C	S	.	.	H	α-helix	trans	-53	-48.3	173.7	-76.6	171	-173.9	171.6	0	110.4	G646 N647 L652 K653 G654 V655 Y779 D781	G646-K650 WeakPolarHBondContact O-CB 3.44Å; G646-K650 VanDerWaalsContact O-CG 3.32Å; G646-K650 WeakPolarHBondContact O-CG 3.49Å; G646-K650 PolarHBondContact O-N 3.35Å; N647-K650 PolarHBondContact O-N 3.16Å; K650-L652 PolarHBondContact O-N 2.94Å; K650-K653 CarbonylContact O-C 3.6Å; K650-K653 PolarHBondContact O-N 2.99Å; K650-G654 PolarHBondContact O-N 2.93Å; K650-V655 CarbonylContact C-O 3.51Å; K650-V655 HydrophobicContact CB-CB 4.19Å; K650-V655 WeakPolarHBondContact O-CB 3.25Å; K650-V655 PolarHBondContact O-N 3.43Å; K650-Y779 HydrophobicContact CD-CD2 4.18Å; K650-Y779 VanDerWaalsContact CE-CD2 3.48Å; K650-Y779 HydrophobicContact CG-CD1 4.37Å; K650-Y779 HydrophobicContact CG-CD2 3.61Å; K650-Y779 HydrophobicContact CG-CE2 4.26Å; K650-Y779 HydrophobicContact CG-CG 3.67Å; K650-D781 IonicContact NZ-OD1 2.72Å
651	R	85.2	Confident	73.9	Confident	99 Å²	99	62.4 Å²	62.4	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-60.2	-46.2	176.5	-173.7	-168.8	67.4	119	-0.6	112.4	N647 F648 I649 K653 G654 D758	N647-R651 WeakPolarHBondContact O-CB 3.23Å; N647-R651 PolarHBondContact O-N 3.42Å; F648-R651 VanDerWaalsContact CE2-NH2 3.29Å; F648-R651 WeakPolarHBondContact O-CB 3.38Å; F648-R651 PolarHBondContact O-N 2.89Å; I649-R651 VanDerWaalsContact C-N 3.28Å; I649-R651 PolarHBondContact O-N 3.32Å; R651-K653 VanDerWaalsContact C-N 3.28Å; R651-K653 PolarHBondContact O-N 3.3Å; R651-G654 PolarHBondContact O-N 2.82Å; R651-G654 VanDerWaalsContact O-N 3.08Å; R651-D758 IonicContact CZ-OD1 2.7Å; R651-D758 VanDerWaalsContact CZ-OD1 3.25Å; R651-D758 IonicContact NH1-OD1 3.4Å; R651-D758 IonicContact NH2-OD1 3.43Å; R651-D758 PolarHBondContact NH2-OD1 3.44Å
652	L	82.4	Confident	70.8	Confident	52 Å²	52	67.6 Å²	67.6	27%	0.272	34%	0.342	S	S	.	.	H	α-helix	trans	-62.9	-34	178.3	-73.5	-174.3	0	0	0	112.9	F648 I649 K650 G654 Y761 L774	F648-L652 HydrophobicContact CD1-CD1 4.12Å; F648-L652 HydrophobicContact CE1-CD1 3.36Å; F648-L652 HydrophobicContact CE1-CG 4.09Å; F648-L652 HydrophobicContact CE2-CD1 4.35Å; F648-L652 HydrophobicContact CE2-CG 4.39Å; F648-L652 HydrophobicContact CZ-CD1 3.49Å; F648-L652 VanDerWaalsContact CZ-CD1 3.49Å; F648-L652 HydrophobicContact CZ-CD2 4.37Å; F648-L652 HydrophobicContact CZ-CG 4Å; F648-L652 PolarHBondContact O-N 3.19Å; I649-L652 PolarHBondContact O-N 2.98Å; I649-L652 VanDerWaalsContact O-N 3.16Å; K650-L652 PolarHBondContact O-N 2.94Å; L652-G654 PolarHBondContact O-N 3.16Å; L652-Y761 HydrophobicContact CD1-CD1 4.25Å; L652-Y761 HydrophobicContact CD1-CD2 3.97Å; L652-Y761 HydrophobicContact CD1-CE1 4.04Å; L652-Y761 HydrophobicContact CD1-CE2 3.75Å; L652-Y761 HydrophobicContact CD1-CG 4.22Å; L652-Y761 HydrophobicContact CD2-CD1 4.21Å; L652-Y761 HydrophobicContact CD2-CE1 3.81Å; L652-L774 HydrophobicContact CD1-CD1 4.25Å; L652-L774 HydrophobicContact CD1-CD2 4.07Å
653	K	79.4	Confident	67.5	Low	101 Å²	101	72.6 Å²	72.6	44%	0.439	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	5.4	176	-65.2	-171.3	-174.1	178.3	0	113.4	I649 K650 R651 V655 I777 Y779	I649-K653 HydrophobicContact CG2-CD 4.26Å; I649-K653 HydrophobicContact CG2-CG 4.45Å; I649-K653 PolarHBondContact O-N 3.29Å; K650-K653 CarbonylContact O-C 3.6Å; K650-K653 PolarHBondContact O-N 2.99Å; R651-K653 VanDerWaalsContact C-N 3.28Å; R651-K653 PolarHBondContact O-N 3.3Å; K653-V655 VanDerWaalsContact C-N 3.26Å; K653-V655 HydrophobicContact CB-CG2 4.35Å; K653-V655 PolarHBondContact O-N 3.23Å; K653-I777 PolarHBondContact NZ-O 3.18Å; K653-Y779 HydrophobicContact CD-CD1 3.81Å; K653-Y779 HydrophobicContact CD-CE1 3.77Å
654	G	74.7	Confident	64.4	Low	64 Å²	64	77.1 Å²	77.1	66%	0.66	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	12.8	178.8	0	0	0	0	0	114.7	K650 R651 L652	K650-G654 PolarHBondContact O-N 2.93Å; R651-G654 PolarHBondContact O-N 2.82Å; R651-G654 VanDerWaalsContact O-N 3.08Å; L652-G654 PolarHBondContact O-N 3.16Å
655	V	63.1	Low	61.3	Low	55 Å²	55	84.5 Å²	84.5	33%	0.333	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-80.6	123.6	175.8	-176.2	0	0	0	0	108.1	K650 K653 Y779	K650-V655 CarbonylContact C-O 3.51Å; K650-V655 HydrophobicContact CB-CB 4.19Å; K650-V655 WeakPolarHBondContact O-CB 3.25Å; K650-V655 PolarHBondContact O-N 3.43Å; K653-V655 VanDerWaalsContact C-N 3.26Å; K653-V655 HydrophobicContact CB-CG2 4.35Å; K653-V655 PolarHBondContact O-N 3.23Å; V655-Y779 HydrophobicContact CG2-CE1 4.38Å
656	R	53.7	Low	58.2	Low	220 Å²	220	92.7 Å²	92.7	83%	0.83	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-65.7	128.7	176.8	-63.1	-170	-150.4	-170.8	8	109.1
657	P	46	Very low	55.4	Low	56 Å²	56	99.7 Å²	99.7	36%	0.364	53%	0.528	S	S	.	.	S	Bend	trans	-71.2	132.1	170.6	29.4	-30	0	0	0	108.2
658	F	49.1	Very low	52.6	Low	78 Å²	78	104.6 Å²	104.6	34%	0.342	55%	0.554	S	S	.	*			trans	91.5	76.2	175.7	-64.2	-93.2	0	0	0	118.3	F643 L660 I838 L839	F643-F658 HydrophobicContact CZ-CZ 4.48Å; F658-L660 HydrophobicContact CD1-CB 3.86Å; F658-L660 HydrophobicContact CD1-CD1 4.19Å; F658-L660 HydrophobicContact CE1-CB 4.32Å; F658-L660 HydrophobicContact CE1-CD1 3.93Å; F658-I838 VanDerWaalsContact CD2-O 3.29Å; F658-I838 WeakPolarHBondContact CD2-O 3.48Å; F658-I838 HydrophobicContact CE2-CB 4.41Å; F658-I838 HydrophobicContact CE2-CG2 3.44Å; F658-I838 VanDerWaalsContact CE2-CG2 3.44Å; F658-I838 WeakPolarHBondContact CE2-O 3.45Å; F658-I838 VanDerWaalsContact CZ-C 3.45Å; F658-I838 HydrophobicContact CZ-CG2 3.76Å; F658-I838 WeakPolarHBondContact CZ-O 3.33Å; F658-L839 HydrophobicContact CE1-CD2 4.07Å; F658-L839 HydrophobicContact CZ-CD2 3.96Å
659	E	33.5	Very low	50	Low	199 Å²	199	112.2 Å²	112.2	93%	0.93	60%	0.595	S	S	*	*			trans	-98.3	81.6	132.8	-74.8	-179.3	175.5	0	0	107.1
660	L	36.3	Very low	47.6	Very low	121 Å²	121	114.8 Å²	114.8	63%	0.634	61%	0.608	S	S	*	*			trans	-126	118.6	172.9	-117.2	144.4	0	0	0	106.7	F658 V662	F658-L660 HydrophobicContact CD1-CB 3.86Å; F658-L660 HydrophobicContact CD1-CD1 4.19Å; F658-L660 HydrophobicContact CE1-CB 4.32Å; F658-L660 HydrophobicContact CE1-CD1 3.93Å; L660-V662 VanDerWaalsContact C-N 3.3Å; L660-V662 PolarHBondContact O-N 2.55Å
661	N	28.5	Very low	45.6	Very low	174 Å²	174	118 Å²	118	93%	0.93	63%	0.628	S	S	*	*	S	Bend	trans	-50.5	76.6	-171	-71.3	-40.4	0	0	0	114.8
662	V	30.5	Very low	44	Very low	109 Å²	109	118 Å²	118	66%	0.661	63%	0.631	S	S	*	*			trans	-127.4	107.4	160.7	-176.4	0	0	0	0	106.2	L660 M664	L660-V662 VanDerWaalsContact C-N 3.3Å; L660-V662 PolarHBondContact O-N 2.55Å; V662-M664 VanDerWaalsContact C-N 3.28Å; V662-M664 HydrophobicContact CG1-CG 3.88Å; V662-M664 PolarHBondContact O-N 3.2Å
663	A	27	Very low	43	Very low	108 Å²	108	117.4 Å²	117.4	89%	0.893	63%	0.626	S	S	*	*			trans	-62.5	90	171.9	0	0	0	0	0	109.3
664	M	28	Very low	42.9	Very low	126 Å²	126	115.1 Å²	115.1	62%	0.621	61%	0.614	S	S	*	*			trans	-133.2	132.6	166.8	-72.4	-87	176.5	0	0	106.4	V662 Y844	V662-M664 VanDerWaalsContact C-N 3.28Å; V662-M664 HydrophobicContact CG1-CG 3.88Å; V662-M664 PolarHBondContact O-N 3.2Å; M664-Y844 PolarHBondContact SD-OH 3.4Å
665	D	29.8	Very low	43	Very low	155 Å²	155	114.6 Å²	114.6	83%	0.829	60%	0.596	S	S	*	*			trans	-39.3	135.9	-159.9	-78.2	-47.4	0	0	0	118	N667	D665-N667 PolarHBondContact O-N 3.44Å
666	N	28.8	Very low	43.9	Very low	172 Å²	172	112.1 Å²	112.1	92%	0.92	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	22.5	178.1	-79.9	-31.2	0	0	0	115.7
667	N	31.7	Very low	45.7	Very low	150 Å²	150	101.7 Å²	101.7	80%	0.802	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-0.2	-173.1	-105	-9.1	0	0	0	116.1	D665 N669	D665-N667 PolarHBondContact O-N 3.44Å; N667-N669 PolarHBondContact O-N 2.91Å
668	D	33.4	Very low	48	Very low	113 Å²	113	99 Å²	99	60%	0.604	53%	0.525	S	S	*	.			trans	-96.3	91.3	-179	-93.8	13.7	0	0	0	112.1	N670	D668-N670 HydrophobicContact CB-CB 4.08Å; D668-N670 PolarHBondContact O-N 3.38Å; D668-N670 PolarHBondContact OD1-ND2 3.27Å; D668-N670 PolarHBondContact OD2-ND2 2.99Å
669	N	34.8	Very low	50.3	Low	161 Å²	161	95.4 Å²	95.4	86%	0.861	51%	0.509	S	S	*	.			trans	-61.7	16.6	152.2	-94.3	-19.7	0	0	0	112.6	N667 N671	N667-N669 PolarHBondContact O-N 2.91Å; N669-N671 PolarHBondContact O-N 2.94Å
670	N	38.1	Very low	53.3	Low	54 Å²	54	87.4 Å²	87.4	29%	0.289	47%	0.471	S	S	.	.			trans	-76.5	89.4	-178.6	-82.7	-32.7	0	0	0	109.9	D668 H672 Q854	D668-N670 HydrophobicContact CB-CB 4.08Å; D668-N670 PolarHBondContact O-N 3.38Å; D668-N670 PolarHBondContact OD1-ND2 3.27Å; D668-N670 PolarHBondContact OD2-ND2 2.99Å; N670-H672 PolarHBondContact O-N 2.96Å; N670-Q854 PolarHBondContact OD1-NE2 2.64Å
671	N	42.8	Very low	56.1	Low	111 Å²	111	82.8 Å²	82.8	59%	0.594	45%	0.446	S	S	*	.			trans	3.2	85.8	149.5	-85.7	-26.8	0	0	0	113.7	N669 R673 R837	N669-N671 PolarHBondContact O-N 2.94Å; N671-R673 PolarHBondContact O-N 2.77Å; N671-R837 PolarHBondContact O-NH2 2.72Å
672	H	51.5	Low	59.2	Low	98 Å²	98	75.3 Å²	75.3	45%	0.454	41%	0.406	S	S	.	.			trans	-68.3	77.7	159.7	-83.8	-71.9	0	0	0	107.6	N670 W674 R837 N843	N670-H672 PolarHBondContact O-N 2.96Å; H672-W674 PolarHBondContact O-N 2.8Å; H672-W674 VanDerWaalsContact O-N 3.08Å; H672-R837 PolarHBondContact ND1-NH1 2.75Å; H672-N843 PolarHBondContact CE1-ND2 3.33Å
673	R	62.2	Low	61.9	Low	41 Å²	41	72.2 Å²	72.2	16%	0.155	39%	0.388	C	S	.	.			trans	-66.3	108.8	-173	-157.8	168.6	179.9	175.4	2.9	108.3	N671 L675 R837 Q861	N671-R673 PolarHBondContact O-N 2.77Å; R673-L675 PolarHBondContact O-N 2.92Å; R673-R837 VanDerWaalsContact N-NH2 3.13Å; R673-Q861 VanDerWaalsContact CZ-OE1 3.29Å; R673-Q861 VanDerWaalsContact NH1-OE1 3.16Å; R673-Q861 PolarHBondContact NH2-O 2.81Å
674	W	76.4	Confident	64.7	Low	53 Å²	53	72.7 Å²	72.7	20%	0.201	37%	0.37	C	S	.	.			trans	-52.5	129.2	173	177.6	-110.8	0	0	0	110	N647 F648 H672 G676 A677 D758 I838	N647-W674 HydrophobicContact CB-CH2 4.45Å; N647-W674 HydrophobicContact CB-CZ3 4.06Å; F648-W674 HydrophobicContact CB-CH2 4.02Å; F648-W674 HydrophobicContact CB-CZ2 3.92Å; F648-W674 HydrophobicContact CD2-CZ2 4.05Å; H672-W674 PolarHBondContact O-N 2.8Å; H672-W674 VanDerWaalsContact O-N 3.08Å; W674-G676 VanDerWaalsContact CZ2-C 3.47Å; W674-G676 VanDerWaalsContact NE1-CA 3.27Å; W674-A677 HydrophobicContact CH2-CB 3.84Å; W674-A677 HydrophobicContact CZ2-CB 3.58Å; W674-D758 VanDerWaalsContact NE1-CG 3.29Å; W674-D758 PolarHBondContact NE1-OD1 2.9Å; W674-D758 PolarHBondContact NE1-OD2 3.38Å; W674-I838 HydrophobicContact CE3-CD1 4.3Å; W674-I838 HydrophobicContact CE3-CG1 4.26Å; W674-I838 HydrophobicContact CH2-CD1 4.25Å; W674-I838 HydrophobicContact CZ3-CD1 3.52Å; W674-I838 HydrophobicContact CZ3-CG1 3.93Å
675	L	77.7	Confident	67.5	Low	53 Å²	53	67 Å²	67	28%	0.277	34%	0.342	S	S	.	.			trans	-100.7	21	-179.3	-65	178.3	0	0	0	112.2	R673 Q834 R837 I869	R673-L675 PolarHBondContact O-N 2.92Å; L675-Q834 HydrophobicContact CB-CG 4.08Å; L675-Q834 PolarHBondContact O-NE2 3.44Å; L675-R837 HydrophobicContact CD1-CB 3.76Å; L675-R837 HydrophobicContact CD1-CG 3.9Å; L675-R837 HydrophobicContact CG-CB 4.35Å; L675-R837 HydrophobicContact CG-CG 4.03Å; L675-I869 WeakPolarHBondContact O-CD1 3.47Å
676	G	83	Confident	70.1	Confident	3 Å²	3	64.8 Å²	64.8	3%	0.031	33%	0.327	C	S	.	.			trans	75.3	173.7	-168.7	0	0	0	0	0	112.9	W674 D758 Q834	W674-G676 VanDerWaalsContact CZ2-C 3.47Å; W674-G676 VanDerWaalsContact NE1-CA 3.27Å; G676-D758 VanDerWaalsContact CA-OD2 3.3Å; G676-D758 WeakPolarHBondContact CA-OD2 3.48Å; G676-Q834 PolarHBondContact O-NE2 2.99Å
677	A	90.6	Very high	72.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.31	C	S	.	.			trans	-124.3	113	169.5	0	0	0	0	0	110.1	L644 W674 N756 L757 D758	L644-A677 HydrophobicContact CB-CB 4.01Å; W674-A677 HydrophobicContact CH2-CB 3.84Å; W674-A677 HydrophobicContact CZ2-CB 3.58Å; A677-N756 PolarHBondContact O-OD1 2.69Å; A677-L757 HydrophobicContact CB-CB 3.91Å; A677-L757 HydrophobicContact CB-CD2 4.06Å; A677-L757 WeakPolarHBondContact O-CB 3.24Å; A677-L757 PolarHBondContact O-N 3.44Å; A677-D758 PolarHBondContact N-OD2 3.39Å
678	T	94.7	Very high	75.3	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	117.2	176.2	-58.8	0	0	0	0	109.7	T817 Q834 V873	T678-T817 PolarHBondContact O-OG1 3.4Å; T678-Q834 PolarHBondContact OG1-NE2 2.7Å; T678-V873 HydrophobicContact CG2-CG2 3.87Å
679	L	96.9	Very high	77.8	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	174.3	176.9	-64.6	-173.6	0	0	0	110.2	A641 L644 F645 Y754 F755 L757 T806 L815	A641-L679 HydrophobicContact CB-CD2 3.84Å; L644-L679 HydrophobicContact CB-CD2 4.44Å; L644-L679 HydrophobicContact CD1-CD2 4.27Å; F645-L679 HydrophobicContact CD2-CD1 4.37Å; L679-Y754 CarbonylContact O-C 3.58Å; L679-Y754 VanDerWaalsContact O-CA 3.29Å; L679-Y754 WeakPolarHBondContact O-CA 3.37Å; L679-F755 HydrophobicContact CB-CD1 4.43Å; L679-F755 HydrophobicContact CB-CE1 3.68Å; L679-F755 HydrophobicContact CB-CE2 3.94Å; L679-F755 HydrophobicContact CB-CZ 3.41Å; L679-F755 VanDerWaalsContact CB-CZ 3.41Å; L679-F755 HydrophobicContact CD1-CE2 4.38Å; L679-F755 HydrophobicContact CD1-CZ 4.05Å; L679-F755 HydrophobicContact CG-CZ 4.33Å; L679-F755 PolarHBondContact N-O 3.13Å; L679-F755 PolarHBondContact O-N 3.36Å; L679-L757 HydrophobicContact CD1-CD1 4.21Å; L679-L757 HydrophobicContact CD1-CD2 4.11Å; L679-T806 HydrophobicContact CD1-CG2 4.23Å; L679-L815 HydrophobicContact CD1-CD2 4.15Å
680	R	97	Very high	80.4	Confident	32 Å²	32	49.6 Å²	49.6	12%	0.121	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	117.4	178.8	-169.9	175.8	-173.7	-118.9	-10.8	110.5	L753 Y754 Y816 H818	R680-L753 CarbonylContact C-O 3.55Å; R680-L753 VanDerWaalsContact CA-O 3.28Å; R680-L753 WeakPolarHBondContact CA-O 3.48Å; R680-Y754 HydrophobicContact CB-CD1 3.94Å; R680-Y754 HydrophobicContact CB-CE1 4.3Å; R680-Y754 HydrophobicContact CG-CD1 4.04Å; R680-Y754 HydrophobicContact CG-CE1 4.29Å; R680-Y816 HydrophobicContact CB-CD1 4.35Å; R680-Y816 PolarHBondContact N-O 3.23Å; R680-H818 VanDerWaalsContact CZ-CE1 3.44Å; R680-H818 PolarHBondContact NH1-CE1 3.32Å; R680-H818 PolarHBondContact NH1-NE2 3.06Å
681	N	94.5	Very high	82.8	Confident	23 Å²	23	50.9 Å²	50.9	12%	0.123	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	165.8	176.3	68.8	-1	0	0	0	110.8	A752 L753 F755 Y805 W807	N681-A752 CarbonylContact O-C 3.51Å; N681-A752 WeakPolarHBondContact O-CA 3.48Å; N681-A752 WeakPolarHBondContact O-CB 3.08Å; N681-L753 PolarHBondContact N-O 2.95Å; N681-L753 PolarHBondContact O-N 3.45Å; N681-L753 PolarHBondContact OD1-O 2.77Å; N681-F755 HydrophobicContact CB-CD1 4.06Å; N681-F755 HydrophobicContact CB-CE1 3.56Å; N681-F755 HydrophobicContact CB-CZ 4.46Å; N681-Y805 PolarHBondContact ND2-O 3.31Å; N681-W807 WeakPolarHBondContact CB-O 3.42Å
682	H	92.9	Very high	84.6	Confident	17 Å²	17	48 Å²	48	8%	0.079	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-127.9	99.1	167.9	178.3	-168.1	0	0	0	106	S750 A752 W807 H808 Y809 G810	H682-S750 PolarHBondContact CD2-O 3.29Å; H682-S750 VanDerWaalsContact CD2-O 3.29Å; H682-S750 PolarHBondContact NE2-O 3.21Å; H682-A752 HydrophobicContact CB-CB 3.86Å; H682-W807 PolarHBondContact N-O 3.37Å; H682-H808 HydrophobicContact CB-CB 4.43Å; H682-Y809 WeakPolarHBondContact O-CB 3.37Å; H682-Y809 PolarHBondContact O-N 3.43Å; H682-G810 PolarHBondContact ND1-N 2.8Å
683	P	88.5	Confident	86.3	Confident	44 Å²	44	43.3 Å²	43.3	29%	0.286	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-59	144.3	-176.8	-24	33.3	0	0	0	111.4	S750	P683-S750 WeakPolarHBondContact O-CB 3.49Å
684	K	86.1	Confident	87.7	Confident	119 Å²	119	43.3 Å²	43.3	52%	0.517	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-53.5	139.3	170.2	177.8	177.1	171.9	162.9	0	110.2	S707 Y809	K684-S707 WeakPolarHBondContact CD-O 2.97Å; K684-S707 VanDerWaalsContact CE-CA 3.5Å; K684-S707 WeakPolarHBondContact CE-O 3.44Å; K684-S707 VanDerWaalsContact NZ-CA 3.26Å; K684-S707 PolarHBondContact NZ-O 2.87Å; K684-Y809 HydrophobicContact CB-CD2 4.11Å; K684-Y809 HydrophobicContact CG-CD2 4.2Å; K684-Y809 HydrophobicContact CG-CE2 4.1Å
685	P	86.9	Confident	88.2	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.039	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-62.8	147.1	176	23.3	-33.5	0	0	0	112.7	K687 F690 P706 L749 Y809	P685-K687 PolarHBondContact O-N 3.21Å; P685-F690 HydrophobicContact CB-CD2 4.11Å; P685-F690 HydrophobicContact CB-CE2 3.43Å; P685-F690 VanDerWaalsContact CB-CE2 3.43Å; P685-F690 HydrophobicContact CB-CZ 4.33Å; P685-F690 HydrophobicContact CG-CE2 3.85Å; P685-F690 HydrophobicContact CG-CZ 4.42Å; P685-P706 HydrophobicContact CG-CB 4.38Å; P685-L749 HydrophobicContact CB-CD2 4.19Å; P685-L749 HydrophobicContact CG-CD2 3.92Å; P685-Y809 HydrophobicContact CG-CE1 4.14Å; P685-Y809 HydrophobicContact CG-CE2 4.41Å
686	E	83.6	Confident	88.6	Confident	109 Å²	109	43.8 Å²	43.8	51%	0.509	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-67.3	125.8	168.3	-67.5	179.4	153.1	0	0	110.1	S688 R689	E686-S688 PolarHBondContact O-N 2.99Å; E686-S688 VanDerWaalsContact O-N 3.1Å; E686-R689 HydrophobicContact CB-CG 4.21Å; E686-R689 WeakPolarHBondContact O-CB 3.4Å; E686-R689 PolarHBondContact O-N 3.46Å; E686-R689 IonicContact OE2-NE 3.22Å; E686-R689 PolarHBondContact OE2-NE 3.41Å
687	K	84.7	Confident	88.9	Confident	127 Å²	127	43.6 Å²	43.6	55%	0.552	21%	0.21	S	C	*	.	H	α-helix	trans	-55.3	-33.2	-179.5	-168.5	170.9	-176.2	169.8	0	112.6	P685 R689 F690 N691 M694 P706	P685-K687 PolarHBondContact O-N 3.21Å; K687-R689 PolarHBondContact O-N 2.9Å; K687-F690 PolarHBondContact O-N 3.4Å; K687-N691 PolarHBondContact O-N 3.47Å; K687-N691 PolarHBondContact O-OD1 3.26Å; K687-M694 HydrophobicContact CG-SD 4.2Å; K687-P706 HydrophobicContact CG-CG 4.34Å
688	S	84.5	Confident	88.9	Confident	71 Å²	71	50.4 Å²	50.4	50%	0.497	24%	0.24	S	C	.	.	H	α-helix	trans	-57.2	-33.2	177.6	56.6	0	0	0	0	113.8	E686 F690 N691	E686-S688 PolarHBondContact O-N 2.99Å; E686-S688 VanDerWaalsContact O-N 3.1Å; S688-F690 PolarHBondContact O-N 3.15Å; S688-N691 WeakPolarHBondContact O-CB 3.48Å; S688-N691 VanDerWaalsContact O-CG 3.31Å; S688-N691 PolarHBondContact O-N 2.92Å; S688-N691 PolarHBondContact O-ND2 3.39Å
689	R	86.7	Confident	88.5	Confident	79 Å²	79	54.3 Å²	54.3	30%	0.298	27%	0.267	S	S	.	.	H	α-helix	trans	-68.8	-24	178.7	-64	-178.5	178.6	-151.9	-5.5	112.5	E686 K687 R748	E686-R689 HydrophobicContact CB-CG 4.21Å; E686-R689 WeakPolarHBondContact O-CB 3.4Å; E686-R689 PolarHBondContact O-N 3.46Å; E686-R689 IonicContact OE2-NE 3.22Å; E686-R689 PolarHBondContact OE2-NE 3.41Å; K687-R689 PolarHBondContact O-N 2.9Å; R689-R748 HydrophobicContact CB-CB 4.34Å; R689-R748 WeakPolarHBondContact CD-O 3.36Å; R689-R748 VanDerWaalsContact O-CD 3.28Å; R689-R748 WeakPolarHBondContact O-CD 3.46Å; R689-R748 PolarHBondContact O-NE 2.82Å
690	F	89.2	Confident	88	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-92.9	-8.8	-178.5	-77.5	-91.7	0	0	0	113.8	P685 K687 S688 H692 L693 M694 F704 P706 L712 T745 R748 L749	P685-F690 HydrophobicContact CB-CD2 4.11Å; P685-F690 HydrophobicContact CB-CE2 3.43Å; P685-F690 VanDerWaalsContact CB-CE2 3.43Å; P685-F690 HydrophobicContact CB-CZ 4.33Å; P685-F690 HydrophobicContact CG-CE2 3.85Å; P685-F690 HydrophobicContact CG-CZ 4.42Å; K687-F690 PolarHBondContact O-N 3.4Å; S688-F690 PolarHBondContact O-N 3.15Å; F690-H692 PolarHBondContact O-N 2.96Å; F690-L693 HydrophobicContact CD1-CD1 4.13Å; F690-L693 HydrophobicContact CE1-CD1 4.28Å; F690-L693 PolarHBondContact O-N 2.99Å; F690-M694 HydrophobicContact CB-CG 4.23Å; F690-M694 HydrophobicContact CB-SD 4.34Å; F690-M694 WeakPolarHBondContact O-CG 3.23Å; F690-M694 PolarHBondContact O-N 3.36Å; F690-F704 HydrophobicContact CD1-CD1 4.45Å; F690-F704 AromaticContact CD1-CE1 3.59Å; F690-F704 HydrophobicContact CD1-CE1 3.59Å; F690-F704 HydrophobicContact CD1-CZ 4.32Å; F690-F704 HydrophobicContact CE1-CE1 4.05Å; F690-F704 HydrophobicContact CE1-CZ 4.47Å; F690-P706 HydrophobicContact CB-CG 4.21Å; F690-P706 HydrophobicContact CD1-CB 4.34Å; F690-P706 HydrophobicContact CD2-CB 4.12Å; F690-P706 HydrophobicContact CD2-CG 4.46Å; F690-P706 HydrophobicContact CE2-CB 4.47Å; F690-P706 HydrophobicContact CG-CB 4.06Å; F690-P706 HydrophobicContact CG-CG 4.22Å; F690-L712 HydrophobicContact CE1-CD1 3.97Å; F690-L712 HydrophobicContact CZ-CD2 4.49Å; F690-T745 HydrophobicContact CE1-CG2 4.03Å; F690-T745 HydrophobicContact CZ-CG2 4.29Å; F690-R748 HydrophobicContact CD2-CB 4.26Å; F690-R748 HydrophobicContact CE1-CB 4.12Å; F690-R748 HydrophobicContact CE2-CB 3.63Å; F690-R748 HydrophobicContact CZ-CB 3.59Å; F690-L749 HydrophobicContact CZ-CD2 4.08Å
691	N	87.5	Confident	87.7	Confident	80 Å²	80	61.7 Å²	61.7	43%	0.428	31%	0.309	S	S	.	.	H	α-helix	trans	-47.4	-39.2	-177	-75.3	-12.5	0	0	0	113.9	K687 S688 K695	K687-N691 PolarHBondContact O-N 3.47Å; K687-N691 PolarHBondContact O-OD1 3.26Å; S688-N691 WeakPolarHBondContact O-CB 3.48Å; S688-N691 VanDerWaalsContact O-CG 3.31Å; S688-N691 PolarHBondContact O-N 2.92Å; S688-N691 PolarHBondContact O-ND2 3.39Å; N691-K695 VanDerWaalsContact O-CG 3.3Å; N691-K695 WeakPolarHBondContact O-CG 3.32Å; N691-K695 PolarHBondContact O-N 3.04Å; N691-K695 VanDerWaalsContact O-N 3.07Å
692	H	82.7	Confident	87.4	Confident	51 Å²	51	61.5 Å²	61.5	24%	0.236	31%	0.308	C	S	.	.	H	α-helix	trans	-68.8	-47.4	178.6	-177.2	67.8	0	0	0	112.9	F690 M694 K695 I696	F690-H692 PolarHBondContact O-N 2.96Å; H692-M694 VanDerWaalsContact C-N 3.33Å; H692-M694 PolarHBondContact O-N 3.24Å; H692-K695 WeakPolarHBondContact O-CB 3.44Å; H692-K695 PolarHBondContact O-N 3.19Å; H692-I696 WeakPolarHBondContact NE2-CD1 3.44Å; H692-I696 PolarHBondContact O-N 3.15Å; H692-I696 VanDerWaalsContact O-N 3.12Å
693	L	87.2	Confident	87	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.9	-39.9	175.1	-80.8	173.1	0	0	0	111.6	F690 K695 I696 A697 F704 L741 M744	F690-L693 HydrophobicContact CD1-CD1 4.13Å; F690-L693 HydrophobicContact CE1-CD1 4.28Å; F690-L693 PolarHBondContact O-N 2.99Å; L693-K695 VanDerWaalsContact C-N 3.25Å; L693-K695 PolarHBondContact O-N 2.91Å; L693-I696 PolarHBondContact O-N 3.45Å; L693-A697 WeakPolarHBondContact O-CB 3.43Å; L693-A697 PolarHBondContact O-N 3.3Å; L693-F704 HydrophobicContact CD1-CZ 4.45Å; L693-L741 HydrophobicContact CD2-CD2 4.09Å; L693-M744 HydrophobicContact CD1-CB 4.23Å; L693-M744 HydrophobicContact CD2-CB 4.26Å; L693-M744 HydrophobicContact CD2-CE 3.71Å; L693-M744 HydrophobicContact CD2-SD 4.17Å; L693-M744 HydrophobicContact CG-CE 4.42Å
694	M	90.3	Very high	86.9	Confident	40 Å²	40	65.4 Å²	65.4	20%	0.197	33%	0.327	C	S	.	.	H	α-helix	trans	-60.4	-35.9	175.6	-68.3	-179.4	72	0	0	112	K687 F690 H692 K698 F704	K687-M694 HydrophobicContact CG-SD 4.2Å; F690-M694 HydrophobicContact CB-CG 4.23Å; F690-M694 HydrophobicContact CB-SD 4.34Å; F690-M694 WeakPolarHBondContact O-CG 3.23Å; F690-M694 PolarHBondContact O-N 3.36Å; H692-M694 VanDerWaalsContact C-N 3.33Å; H692-M694 PolarHBondContact O-N 3.24Å; M694-K698 VanDerWaalsContact O-CB 3.27Å; M694-K698 WeakPolarHBondContact O-CB 3.49Å; M694-K698 PolarHBondContact O-N 3.18Å; M694-F704 HydrophobicContact CG-CB 4.24Å; M694-F704 HydrophobicContact CG-CD1 4.08Å
695	K	86.3	Confident	86.8	Confident	92 Å²	92	62 Å²	62	40%	0.4	31%	0.314	S	S	.	.	H	α-helix	trans	-67.2	-47	173.9	-75.7	177.9	177.2	-155.3	0	112	N691 H692 L693 A697 K698 S699	N691-K695 VanDerWaalsContact O-CG 3.3Å; N691-K695 WeakPolarHBondContact O-CG 3.32Å; N691-K695 PolarHBondContact O-N 3.04Å; N691-K695 VanDerWaalsContact O-N 3.07Å; H692-K695 WeakPolarHBondContact O-CB 3.44Å; H692-K695 PolarHBondContact O-N 3.19Å; L693-K695 VanDerWaalsContact C-N 3.25Å; L693-K695 PolarHBondContact O-N 2.91Å; K695-A697 VanDerWaalsContact C-N 3.29Å; K695-A697 PolarHBondContact O-N 2.99Å; K695-K698 PolarHBondContact O-N 2.97Å; K695-S699 PolarHBondContact O-N 3.13Å; K695-S699 PolarHBondContact O-OG 3.42Å
696	I	86.9	Confident	86.8	Confident	24 Å²	24	61.8 Å²	61.8	12%	0.123	31%	0.313	C	S	.	.	H	α-helix	trans	-59.2	-42.9	176.5	-65.7	168.1	0	0	0	110.6	H692 L693 S699 N700 I994 L995	H692-I696 WeakPolarHBondContact NE2-CD1 3.44Å; H692-I696 PolarHBondContact O-N 3.15Å; H692-I696 VanDerWaalsContact O-N 3.12Å; L693-I696 PolarHBondContact O-N 3.45Å; I696-S699 PolarHBondContact O-N 3.25Å; I696-S699 PolarHBondContact O-OG 3.04Å; I696-N700 PolarHBondContact O-N 3.3Å; I696-N700 PolarHBondContact O-ND2 2.9Å; I696-I994 HydrophobicContact CD1-CG2 3.8Å; I696-L995 HydrophobicContact CG2-CD1 3.93Å
697	A	89.8	Confident	86.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.8	-45.8	176	0	0	0	0	0	111.5	L693 K695 S699 N700 N701 I702 F704 L719	L693-A697 WeakPolarHBondContact O-CB 3.43Å; L693-A697 PolarHBondContact O-N 3.3Å; K695-A697 VanDerWaalsContact C-N 3.29Å; K695-A697 PolarHBondContact O-N 2.99Å; A697-S699 VanDerWaalsContact C-N 3.33Å; A697-S699 PolarHBondContact O-N 3.37Å; A697-N700 CarbonylContact O-C 3.44Å; A697-N700 VanDerWaalsContact O-C 3.28Å; A697-N700 WeakPolarHBondContact O-CA 3.4Å; A697-N700 PolarHBondContact O-N 3.48Å; A697-N701 PolarHBondContact O-N 3.21Å; A697-I702 CarbonylContact C-O 3.31Å; A697-I702 VanDerWaalsContact C-O 3.27Å; A697-I702 HydrophobicContact CB-CB 4.21Å; A697-I702 HydrophobicContact CB-CG2 4.29Å; A697-I702 PolarHBondContact O-N 2.84Å; A697-F704 HydrophobicContact CB-CB 3.6Å; A697-F704 HydrophobicContact CB-CD2 4.08Å; A697-F704 HydrophobicContact CB-CG 4.21Å; A697-L719 HydrophobicContact CB-CD1 4.31Å; A697-L719 HydrophobicContact CB-CD2 4.18Å
698	K	90.1	Very high	86.6	Confident	142 Å²	142	55 Å²	55	62%	0.617	29%	0.29	S	S	*	.	H	α-helix	trans	-61.1	-38.3	177.7	-167.8	179.6	-179	-170.2	0	112.3	M694 K695 N700 N701 I702	M694-K698 VanDerWaalsContact O-CB 3.27Å; M694-K698 WeakPolarHBondContact O-CB 3.49Å; M694-K698 PolarHBondContact O-N 3.18Å; K695-K698 PolarHBondContact O-N 2.97Å; K698-N700 PolarHBondContact O-N 2.94Å; K698-N701 PolarHBondContact O-N 2.79Å; K698-I702 PolarHBondContact N-O 2.79Å
699	S	86.8	Confident	86.6	Confident	84 Å²	84	51.8 Å²	51.8	59%	0.587	27%	0.267	S	S	*	.	H	α-helix	trans	-66	-15.3	174	60.8	0	0	0	0	113.9	K695 I696 A697	K695-S699 PolarHBondContact O-N 3.13Å; K695-S699 PolarHBondContact O-OG 3.42Å; I696-S699 PolarHBondContact O-N 3.25Å; I696-S699 PolarHBondContact O-OG 3.04Å; A697-S699 VanDerWaalsContact C-N 3.33Å; A697-S699 PolarHBondContact O-N 3.37Å
700	N	87	Confident	86.4	Confident	26 Å²	26	50.7 Å²	50.7	14%	0.139	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	19.3	172.2	-66.6	-75.6	0	0	0	112	I696 A697 K698 I702 L719 T722	I696-N700 PolarHBondContact O-N 3.3Å; I696-N700 PolarHBondContact O-ND2 2.9Å; A697-N700 CarbonylContact O-C 3.44Å; A697-N700 VanDerWaalsContact O-C 3.28Å; A697-N700 WeakPolarHBondContact O-CA 3.4Å; A697-N700 PolarHBondContact O-N 3.48Å; K698-N700 PolarHBondContact O-N 2.94Å; N700-I702 VanDerWaalsContact C-N 3.27Å; N700-I702 PolarHBondContact O-N 2.99Å; N700-L719 HydrophobicContact CB-CD1 4.13Å; N700-T722 HydrophobicContact CB-CG2 4.44Å
701	N	89.1	Confident	86.3	Confident	161 Å²	161	52.6 Å²	52.6	86%	0.861	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	31.1	179.7	-58.7	-44.7	0	0	0	114.9	A697 K698	A697-N701 PolarHBondContact O-N 3.21Å; K698-N701 PolarHBondContact O-N 2.79Å
702	I	88.4	Confident	86.3	Confident	20 Å²	20	48.8 Å²	48.8	10%	0.103	26%	0.26	C	S	.	.			trans	-110.6	129.5	178	-67.9	168.3	0	0	0	109.7	A697 K698 N700 T718 L719 T722	A697-I702 CarbonylContact C-O 3.31Å; A697-I702 VanDerWaalsContact C-O 3.27Å; A697-I702 HydrophobicContact CB-CB 4.21Å; A697-I702 HydrophobicContact CB-CG2 4.29Å; A697-I702 PolarHBondContact O-N 2.84Å; K698-I702 PolarHBondContact N-O 2.79Å; N700-I702 VanDerWaalsContact C-N 3.27Å; N700-I702 PolarHBondContact O-N 2.99Å; I702-T718 HydrophobicContact CD1-CG2 4.05Å; I702-T718 HydrophobicContact CG1-CG2 4.36Å; I702-L719 VanDerWaalsContact CD1-CA 3.41Å; I702-L719 HydrophobicContact CD1-CB 4.01Å; I702-L719 HydrophobicContact CD1-CD1 3.78Å; I702-T722 HydrophobicContact CD1-CG2 4.26Å
703	D	85.9	Confident	86.4	Confident	139 Å²	139	47.7 Å²	47.7	74%	0.743	26%	0.258	S	S	*	.			trans	-80.1	118.6	167.7	-165.9	17.6	0	0	0	109.7	S715	D703-S715 PolarHBondContact O-OG 2.87Å
704	F	86.3	Confident	86.3	Confident	3 Å²	3	50.8 Å²	50.8	1%	0.013	28%	0.279	C	S	.	.			trans	-107.8	105.2	-175.7	-167.7	-77	0	0	0	109	F690 L693 M694 A697 P706 L712 V716	F690-F704 HydrophobicContact CD1-CD1 4.45Å; F690-F704 AromaticContact CD1-CE1 3.59Å; F690-F704 HydrophobicContact CD1-CE1 3.59Å; F690-F704 HydrophobicContact CD1-CZ 4.32Å; F690-F704 HydrophobicContact CE1-CE1 4.05Å; F690-F704 HydrophobicContact CE1-CZ 4.47Å; L693-F704 HydrophobicContact CD1-CZ 4.45Å; M694-F704 HydrophobicContact CG-CB 4.24Å; M694-F704 HydrophobicContact CG-CD1 4.08Å; A697-F704 HydrophobicContact CB-CB 3.6Å; A697-F704 HydrophobicContact CB-CD2 4.08Å; A697-F704 HydrophobicContact CB-CG 4.21Å; F704-P706 WeakPolarHBondContact O-CD 3.43Å; F704-L712 HydrophobicContact CD1-CD1 4.39Å; F704-L712 HydrophobicContact CE1-CD1 3.31Å; F704-L712 HydrophobicContact CE2-CD1 4.49Å; F704-L712 HydrophobicContact CZ-CD1 3.38Å; F704-V716 HydrophobicContact CE2-CG2 3.79Å; F704-V716 HydrophobicContact CZ-CG2 3.83Å
705	D	83.5	Confident	86.3	Confident	47 Å²	47	49.6 Å²	49.6	25%	0.251	27%	0.274	S	S	.	.			trans	-110.5	107.1	-174.4	-174.3	19.4	0	0	0	112.9	S707 L712	D705-S707 VanDerWaalsContact CG-OG 3.24Å; D705-S707 PolarHBondContact O-N 2.97Å; D705-S707 WeakPolarHBondContact OD1-CA 3.29Å; D705-S707 WeakPolarHBondContact OD1-CB 3.17Å; D705-S707 PolarHBondContact OD1-N 2.77Å; D705-S707 PolarHBondContact OD1-OG 2.89Å; D705-S707 VanDerWaalsContact OD2-CB 3.28Å; D705-S707 WeakPolarHBondContact OD2-CB 3.35Å; D705-S707 PolarHBondContact OD2-OG 2.93Å; D705-L712 PolarHBondContact O-N 2.84Å
706	P	86.1	Confident	86.5	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.019	26%	0.257	C	S	.	.			trans	-81	8.3	173	34.6	-35.3	0	0	0	113.1	P685 K687 F690 F704 N708 L712 Y809	P685-P706 HydrophobicContact CG-CB 4.38Å; K687-P706 HydrophobicContact CG-CG 4.34Å; F690-P706 HydrophobicContact CB-CG 4.21Å; F690-P706 HydrophobicContact CD1-CB 4.34Å; F690-P706 HydrophobicContact CD2-CB 4.12Å; F690-P706 HydrophobicContact CD2-CG 4.46Å; F690-P706 HydrophobicContact CE2-CB 4.47Å; F690-P706 HydrophobicContact CG-CB 4.06Å; F690-P706 HydrophobicContact CG-CG 4.22Å; F704-P706 WeakPolarHBondContact O-CD 3.43Å; P706-N708 VanDerWaalsContact C-N 3.31Å; P706-N708 PolarHBondContact O-N 3.31Å; P706-L712 HydrophobicContact CB-CD1 4.42Å; P706-Y809 PolarHBondContact O-OH 2.79Å
707	S	82	Confident	86.5	Confident	43 Å²	43	49.9 Å²	49.9	30%	0.301	28%	0.275	S	S	.	.	S	Bend	trans	-62.1	-37.6	-171.2	75.3	0	0	0	0	113.7	K684 D705	K684-S707 WeakPolarHBondContact CD-O 2.97Å; K684-S707 VanDerWaalsContact CE-CA 3.5Å; K684-S707 WeakPolarHBondContact CE-O 3.44Å; K684-S707 VanDerWaalsContact NZ-CA 3.26Å; K684-S707 PolarHBondContact NZ-O 2.87Å; D705-S707 VanDerWaalsContact CG-OG 3.24Å; D705-S707 PolarHBondContact O-N 2.97Å; D705-S707 WeakPolarHBondContact OD1-CA 3.29Å; D705-S707 WeakPolarHBondContact OD1-CB 3.17Å; D705-S707 PolarHBondContact OD1-N 2.77Å; D705-S707 PolarHBondContact OD1-OG 2.89Å; D705-S707 VanDerWaalsContact OD2-CB 3.28Å; D705-S707 WeakPolarHBondContact OD2-CB 3.35Å; D705-S707 PolarHBondContact OD2-OG 2.93Å
708	N	81.6	Confident	86.6	Confident	51 Å²	51	53.3 Å²	53.3	27%	0.273	30%	0.296	S	S	.	.	S	Bend	trans	-137	156.6	176.3	70.8	80.2	0	0	0	108.5	P706 L710 S711 L712 Y809	P706-N708 VanDerWaalsContact C-N 3.31Å; P706-N708 PolarHBondContact O-N 3.31Å; N708-L710 VanDerWaalsContact C-N 3.35Å; N708-L710 PolarHBondContact O-N 3.48Å; N708-L710 WeakPolarHBondContact OD1-CB 3.39Å; N708-L710 PolarHBondContact OD1-N 3.25Å; N708-S711 WeakPolarHBondContact ND2-CB 3.03Å; N708-S711 PolarHBondContact ND2-OG 3.15Å; N708-S711 WeakPolarHBondContact OD1-CB 3.31Å; N708-S711 PolarHBondContact OD1-N 3.28Å; N708-S711 PolarHBondContact OD1-OG 3.36Å; N708-L712 WeakPolarHBondContact O-CB 3.41Å; N708-L712 PolarHBondContact O-N 3.31Å; N708-L712 VanDerWaalsContact O-N 3.14Å; N708-Y809 PolarHBondContact O-OH 3.3Å
709	S	84.8	Confident	86.7	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.014	27%	0.267	C	S	.	.	H	α-helix	trans	-69.7	-30.5	-172.5	49.1	0	0	0	0	113.3	G581 S713 Y809 S812	G581-S709 CarbonylContact O-C 3.28Å; G581-S709 WeakPolarHBondContact O-CB 3.36Å; G581-S709 PolarHBondContact O-OG 3.39Å; S709-S713 WeakPolarHBondContact O-CB 3.31Å; S709-S713 PolarHBondContact O-N 2.94Å; S709-Y809 VanDerWaalsContact CB-O 3.26Å; S709-Y809 WeakPolarHBondContact CB-O 3.36Å; S709-Y809 PolarHBondContact OG-O 3.15Å; S709-S812 PolarHBondContact OG-OG 3.05Å
710	L	84	Confident	87	Confident	56 Å²	56	42.6 Å²	42.6	29%	0.293	24%	0.239	S	C	.	.	H	α-helix	trans	-65.9	-54	176.2	-177.1	59.4	0	0	0	111	N708 L712 S713 C714	N708-L710 VanDerWaalsContact C-N 3.35Å; N708-L710 PolarHBondContact O-N 3.48Å; N708-L710 WeakPolarHBondContact OD1-CB 3.39Å; N708-L710 PolarHBondContact OD1-N 3.25Å; L710-L712 VanDerWaalsContact C-N 3.25Å; L710-L712 PolarHBondContact O-N 3.35Å; L710-S713 PolarHBondContact O-N 3.2Å; L710-S713 VanDerWaalsContact O-N 3.14Å; L710-C714 PolarHBondContact O-N 2.84Å; L710-C714 PolarHBondContact O-SG 2.83Å
711	S	86.4	Confident	87.3	Confident	40 Å²	40	45.5 Å²	45.5	28%	0.28	25%	0.252	S	S	.	.	H	α-helix	trans	-56.5	-42.1	176.8	-65.6	0	0	0	0	111.1	N708 C714 S715	N708-S711 WeakPolarHBondContact ND2-CB 3.03Å; N708-S711 PolarHBondContact ND2-OG 3.15Å; N708-S711 WeakPolarHBondContact OD1-CB 3.31Å; N708-S711 PolarHBondContact OD1-N 3.28Å; N708-S711 PolarHBondContact OD1-OG 3.36Å; S711-C714 PolarHBondContact O-N 2.88Å; S711-S715 WeakPolarHBondContact O-CB 3.44Å; S711-S715 PolarHBondContact O-N 3Å; S711-S715 PolarHBondContact O-OG 3.5Å; S711-S715 VanDerWaalsContact O-OG 3.06Å
712	L	88.2	Confident	87.6	Confident	1 Å²	1	40 Å²	40	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-48.4	176.3	179.4	61.3	0	0	0	112.2	F690 F704 D705 P706 N708 L710 S715 V716 T745 L749 Y809	F690-L712 HydrophobicContact CE1-CD1 3.97Å; F690-L712 HydrophobicContact CZ-CD2 4.49Å; F704-L712 HydrophobicContact CD1-CD1 4.39Å; F704-L712 HydrophobicContact CE1-CD1 3.31Å; F704-L712 HydrophobicContact CE2-CD1 4.49Å; F704-L712 HydrophobicContact CZ-CD1 3.38Å; D705-L712 PolarHBondContact O-N 2.84Å; P706-L712 HydrophobicContact CB-CD1 4.42Å; N708-L712 WeakPolarHBondContact O-CB 3.41Å; N708-L712 PolarHBondContact O-N 3.31Å; N708-L712 VanDerWaalsContact O-N 3.14Å; L710-L712 VanDerWaalsContact C-N 3.25Å; L710-L712 PolarHBondContact O-N 3.35Å; L712-S715 PolarHBondContact O-N 3.37Å; L712-V716 HydrophobicContact CD1-CG2 4.48Å; L712-V716 WeakPolarHBondContact O-CG2 3.5Å; L712-V716 PolarHBondContact O-N 2.89Å; L712-T745 HydrophobicContact CD1-CG2 3.91Å; L712-T745 HydrophobicContact CD2-CG2 3.66Å; L712-T745 HydrophobicContact CG-CG2 3.92Å; L712-L749 HydrophobicContact CD2-CD2 4.09Å; L712-Y809 HydrophobicContact CD2-CE1 3.96Å; L712-Y809 VanDerWaalsContact CD2-OH 3.22Å; L712-Y809 WeakPolarHBondContact CD2-OH 3.23Å
713	S	83.7	Confident	87.7	Confident	27 Å²	27	39.5 Å²	39.5	19%	0.189	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-44.1	179.3	-173.6	0	0	0	0	111.8	S709 L710 V716 K717	S709-S713 WeakPolarHBondContact O-CB 3.31Å; S709-S713 PolarHBondContact O-N 2.94Å; L710-S713 PolarHBondContact O-N 3.2Å; L710-S713 VanDerWaalsContact O-N 3.14Å; S713-V716 PolarHBondContact O-N 3.09Å; S713-K717 PolarHBondContact O-N 2.98Å
714	C	86.1	Confident	88	Confident	66 Å²	66	33.2 Å²	33.2	45%	0.446	19%	0.189	S	C	.	.	H	α-helix	trans	-64	-48.6	176.1	-69	0	0	0	0	111.7	L710 S711 V716 K717 T718	L710-C714 PolarHBondContact O-N 2.84Å; L710-C714 PolarHBondContact O-SG 2.83Å; S711-C714 PolarHBondContact O-N 2.88Å; C714-V716 VanDerWaalsContact C-N 3.27Å; C714-V716 PolarHBondContact O-N 2.78Å; C714-K717 PolarHBondContact O-N 3.23Å; C714-K717 VanDerWaalsContact O-N 3.16Å; C714-T718 PolarHBondContact O-N 3.01Å; C714-T718 PolarHBondContact O-OG1 3.39Å; C714-T718 VanDerWaalsContact O-OG1 3.06Å
715	S	90	Very high	88.4	Confident	14 Å²	14	39.9 Å²	39.9	10%	0.098	22%	0.22	C	C	.	.	H	α-helix	trans	-58.1	-38.2	178.9	-67.7	0	0	0	0	112.5	D703 S711 L712 L719	D703-S715 PolarHBondContact O-OG 2.87Å; S711-S715 WeakPolarHBondContact O-CB 3.44Å; S711-S715 PolarHBondContact O-N 3Å; S711-S715 PolarHBondContact O-OG 3.5Å; S711-S715 VanDerWaalsContact O-OG 3.06Å; L712-S715 PolarHBondContact O-N 3.37Å; S715-L719 VanDerWaalsContact O-CB 3.26Å; S715-L719 WeakPolarHBondContact O-CB 3.5Å; S715-L719 PolarHBondContact O-N 3.31Å
716	V	89.2	Confident	88.7	Confident	8 Å²	8	44.6 Å²	44.6	5%	0.048	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-48.3	176.2	166.2	0	0	0	0	111.5	F704 L712 S713 C714 L719 A720 L741 T745	F704-V716 HydrophobicContact CE2-CG2 3.79Å; F704-V716 HydrophobicContact CZ-CG2 3.83Å; L712-V716 HydrophobicContact CD1-CG2 4.48Å; L712-V716 WeakPolarHBondContact O-CG2 3.5Å; L712-V716 PolarHBondContact O-N 2.89Å; S713-V716 PolarHBondContact O-N 3.09Å; C714-V716 VanDerWaalsContact C-N 3.27Å; C714-V716 PolarHBondContact O-N 2.78Å; V716-L719 PolarHBondContact O-N 2.81Å; V716-A720 PolarHBondContact O-N 3.34Å; V716-A720 VanDerWaalsContact O-N 3.09Å; V716-L741 HydrophobicContact CG1-CB 3.82Å; V716-T745 HydrophobicContact CG2-CG2 4.44Å; V716-T745 WeakPolarHBondContact CG2-OG1 3.44Å
717	K	88.3	Confident	88.7	Confident	115 Å²	115	48.3 Å²	48.3	50%	0.5	26%	0.258	S	S	.	.	H	α-helix	trans	-63.5	-48	179	-70.2	-179.1	-178.3	-177.9	0	111.4	S713 C714 L719 A720 H721	S713-K717 PolarHBondContact O-N 2.98Å; C714-K717 PolarHBondContact O-N 3.23Å; C714-K717 VanDerWaalsContact O-N 3.16Å; K717-L719 VanDerWaalsContact C-N 3.29Å; K717-L719 PolarHBondContact O-N 3.33Å; K717-A720 PolarHBondContact O-N 2.76Å; K717-H721 PolarHBondContact O-CD2 3.29Å; K717-H721 VanDerWaalsContact O-CD2 3.23Å; K717-H721 PolarHBondContact O-N 3.32Å; K717-H721 VanDerWaalsContact O-N 3.07Å
718	T	92	Very high	89.2	Confident	72 Å²	72	51.6 Å²	51.6	44%	0.442	28%	0.281	S	S	.	.	H	α-helix	trans	-58.2	-42.8	178.3	-55.7	0	0	0	0	111.3	I702 C714 A720 H721 T722	I702-T718 HydrophobicContact CD1-CG2 4.05Å; I702-T718 HydrophobicContact CG1-CG2 4.36Å; C714-T718 PolarHBondContact O-N 3.01Å; C714-T718 PolarHBondContact O-OG1 3.39Å; C714-T718 VanDerWaalsContact O-OG1 3.06Å; T718-A720 PolarHBondContact O-N 2.91Å; T718-H721 PolarHBondContact O-N 2.87Å; T718-T722 PolarHBondContact O-N 2.92Å; T718-T722 PolarHBondContact O-OG1 3.43Å; T718-T722 VanDerWaalsContact O-OG1 3.12Å
719	L	92.3	Very high	89.6	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-42.9	177	-177.4	61.3	0	0	0	112.9	A697 N700 I702 S715 V716 K717 I723 L741	A697-L719 HydrophobicContact CB-CD1 4.31Å; A697-L719 HydrophobicContact CB-CD2 4.18Å; N700-L719 HydrophobicContact CB-CD1 4.13Å; I702-L719 VanDerWaalsContact CD1-CA 3.41Å; I702-L719 HydrophobicContact CD1-CB 4.01Å; I702-L719 HydrophobicContact CD1-CD1 3.78Å; S715-L719 VanDerWaalsContact O-CB 3.26Å; S715-L719 WeakPolarHBondContact O-CB 3.5Å; S715-L719 PolarHBondContact O-N 3.31Å; V716-L719 PolarHBondContact O-N 2.81Å; K717-L719 VanDerWaalsContact C-N 3.29Å; K717-L719 PolarHBondContact O-N 3.33Å; L719-I723 HydrophobicContact CD1-CD1 3.77Å; L719-I723 HydrophobicContact CD1-CG1 4.22Å; L719-I723 HydrophobicContact CG-CD1 3.94Å; L719-I723 VanDerWaalsContact O-CG1 3.3Å; L719-I723 WeakPolarHBondContact O-CG1 3.48Å; L719-I723 PolarHBondContact O-N 3.22Å; L719-I723 VanDerWaalsContact O-N 3.14Å; L719-L741 HydrophobicContact CB-CD1 4.14Å; L719-L741 HydrophobicContact CD2-CD1 4.07Å; L719-L741 HydrophobicContact CD2-CD2 3.81Å; L719-L741 HydrophobicContact CG-CD1 3.92Å
720	A	92.5	Very high	90	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.7	-47.7	176.8	0	0	0	0	0	111.6	V716 K717 T718 I723 A724 L734 L737 I738 L741	V716-A720 PolarHBondContact O-N 3.34Å; V716-A720 VanDerWaalsContact O-N 3.09Å; K717-A720 PolarHBondContact O-N 2.76Å; T718-A720 PolarHBondContact O-N 2.91Å; A720-I723 PolarHBondContact O-N 3.42Å; A720-A724 WeakPolarHBondContact O-CB 3.5Å; A720-A724 PolarHBondContact O-N 2.85Å; A720-L734 HydrophobicContact CB-CD1 4.08Å; A720-L737 HydrophobicContact CB-CB 4.21Å; A720-I738 HydrophobicContact CB-CG1 3.52Å; A720-L741 HydrophobicContact CB-CD1 3.86Å
721	H	93.8	Very high	90.3	Very high	88 Å²	88	61.7 Å²	61.7	41%	0.407	33%	0.326	S	S	.	.	H	α-helix	trans	-60.9	-48.2	179.3	-81.7	-77.2	0	0	0	112.4	K717 T718 I723 A724 E725 L734	K717-H721 PolarHBondContact O-CD2 3.29Å; K717-H721 VanDerWaalsContact O-CD2 3.23Å; K717-H721 PolarHBondContact O-N 3.32Å; K717-H721 VanDerWaalsContact O-N 3.07Å; T718-H721 PolarHBondContact O-N 2.87Å; H721-I723 VanDerWaalsContact C-N 3.31Å; H721-I723 PolarHBondContact O-N 3.11Å; H721-A724 PolarHBondContact O-N 3.2Å; H721-E725 WeakPolarHBondContact O-CG 3.4Å; H721-E725 PolarHBondContact O-N 3.32Å; H721-L734 VanDerWaalsContact CE1-CD2 3.48Å; H721-L734 WeakPolarHBondContact CE1-CD2 3.44Å
722	T	94.2	Very high	90.5	Very high	45 Å²	45	63.1 Å²	63.1	28%	0.276	34%	0.335	S	S	.	.	H	α-helix	trans	-61.8	-38.1	180	-60.4	0	0	0	0	112.5	N700 I702 T718 K726	N700-T722 HydrophobicContact CB-CG2 4.44Å; I702-T722 HydrophobicContact CD1-CG2 4.26Å; T718-T722 PolarHBondContact O-N 2.92Å; T718-T722 PolarHBondContact O-OG1 3.43Å; T718-T722 VanDerWaalsContact O-OG1 3.12Å; T722-K726 WeakPolarHBondContact O-CB 3.48Å; T722-K726 PolarHBondContact O-N 2.8Å
723	I	91.6	Very high	90.7	Very high	9 Å²	9	65.4 Å²	65.4	5%	0.046	35%	0.345	C	S	.	.	H	α-helix	trans	-70.8	-41	177	-67.3	172.9	0	0	0	111	L719 A720 H721 K726 N727 L737 L995	L719-I723 HydrophobicContact CD1-CD1 3.77Å; L719-I723 HydrophobicContact CD1-CG1 4.22Å; L719-I723 HydrophobicContact CG-CD1 3.94Å; L719-I723 VanDerWaalsContact O-CG1 3.3Å; L719-I723 WeakPolarHBondContact O-CG1 3.48Å; L719-I723 PolarHBondContact O-N 3.22Å; L719-I723 VanDerWaalsContact O-N 3.14Å; A720-I723 PolarHBondContact O-N 3.42Å; H721-I723 VanDerWaalsContact C-N 3.31Å; H721-I723 PolarHBondContact O-N 3.11Å; I723-K726 PolarHBondContact O-N 3.34Å; I723-N727 PolarHBondContact O-N 3.19Å; I723-N727 VanDerWaalsContact O-N 3.14Å; I723-N727 PolarHBondContact O-ND2 3.14Å; I723-L737 HydrophobicContact CB-CD1 4.21Å; I723-L737 HydrophobicContact CG2-CD1 3.81Å; I723-L737 HydrophobicContact CG2-CD2 4.32Å; I723-L995 HydrophobicContact CD1-CD1 3.38Å
724	A	92.4	Very high	91.2	Very high	7 Å²	7	65.5 Å²	65.5	6%	0.058	34%	0.344	C	S	.	.	H	α-helix	trans	-62.3	-44.9	177.6	0	0	0	0	0	111.4	A720 H721 N727 S728 Y729 L734 L737	A720-A724 WeakPolarHBondContact O-CB 3.5Å; A720-A724 PolarHBondContact O-N 2.85Å; H721-A724 PolarHBondContact O-N 3.2Å; A724-N727 PolarHBondContact O-N 3.43Å; A724-S728 PolarHBondContact O-N 2.85Å; A724-Y729 PolarHBondContact O-N 3.43Å; A724-L734 HydrophobicContact CB-CB 4.17Å; A724-L734 HydrophobicContact CB-CD1 3.82Å; A724-L737 HydrophobicContact CB-CD1 4.16Å
725	E	92.9	Very high	91.4	Very high	144 Å²	144	66.3 Å²	66.3	67%	0.673	34%	0.343	S	S	*	.	H	α-helix	trans	-60.9	-48.1	175.8	-74.1	174.3	-176.5	0	0	111.7	H721 N727 S728	H721-E725 WeakPolarHBondContact O-CG 3.4Å; H721-E725 PolarHBondContact O-N 3.32Å; E725-N727 PolarHBondContact O-N 2.89Å; E725-S728 PolarHBondContact O-N 2.77Å; E725-S728 VanDerWaalsContact O-N 3.14Å
726	K	89.8	Confident	91.4	Very high	146 Å²	146	66.5 Å²	66.5	64%	0.635	34%	0.343	S	S	*	.	H	α-helix	trans	-58	-35.1	179.6	-175.9	179.4	178.4	-177.5	0	112.9	T722 I723	T722-K726 WeakPolarHBondContact O-CB 3.48Å; T722-K726 PolarHBondContact O-N 2.8Å; I723-K726 PolarHBondContact O-N 3.34Å
727	N	87.8	Confident	91.6	Very high	80 Å²	80	66.1 Å²	66.1	43%	0.428	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	4.3	-178.4	-64.2	-69.3	0	0	0	113.8	I723 A724 E725 Y729	I723-N727 PolarHBondContact O-N 3.19Å; I723-N727 VanDerWaalsContact O-N 3.14Å; I723-N727 PolarHBondContact O-ND2 3.14Å; A724-N727 PolarHBondContact O-N 3.43Å; E725-N727 PolarHBondContact O-N 2.89Å; N727-Y729 HydrophobicContact CB-CD1 3.63Å; N727-Y729 HydrophobicContact CB-CD2 4.17Å; N727-Y729 HydrophobicContact CB-CE1 3.45Å; N727-Y729 VanDerWaalsContact CB-CE1 3.45Å; N727-Y729 HydrophobicContact CB-CE2 3.99Å; N727-Y729 HydrophobicContact CB-CG 4Å; N727-Y729 WeakPolarHBondContact O-CD1 3.44Å; N727-Y729 PolarHBondContact O-N 2.9Å
728	S	91.5	Very high	91.7	Very high	113 Å²	113	62.5 Å²	62.5	79%	0.79	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	41	-175.4	-55.8	0	0	0	0	113.1	A724 E725	A724-S728 PolarHBondContact O-N 2.85Å; E725-S728 PolarHBondContact O-N 2.77Å; E725-S728 VanDerWaalsContact O-N 3.14Å
729	Y	90.3	Very high	91.5	Very high	58 Å²	58	63.1 Å²	63.1	23%	0.227	32%	0.321	C	S	.	.			trans	-75.4	148.5	177.9	-73.5	-8.2	0	0	0	111.8	A724 N727 F733 L737 I997	A724-Y729 PolarHBondContact O-N 3.43Å; N727-Y729 HydrophobicContact CB-CD1 3.63Å; N727-Y729 HydrophobicContact CB-CD2 4.17Å; N727-Y729 HydrophobicContact CB-CE1 3.45Å; N727-Y729 VanDerWaalsContact CB-CE1 3.45Å; N727-Y729 HydrophobicContact CB-CE2 3.99Å; N727-Y729 HydrophobicContact CB-CG 4Å; N727-Y729 WeakPolarHBondContact O-CD1 3.44Å; N727-Y729 PolarHBondContact O-N 2.9Å; Y729-F733 AromaticContact CD1-CD2 3.8Å; Y729-F733 HydrophobicContact CD1-CD2 3.8Å; Y729-F733 HydrophobicContact CD2-CB 4.07Å; Y729-F733 HydrophobicContact CD2-CD2 4.4Å; Y729-F733 HydrophobicContact CE1-CD2 4.22Å; Y729-F733 HydrophobicContact CG-CB 3.94Å; Y729-F733 AromaticContact CG-CD2 3.89Å; Y729-F733 HydrophobicContact CG-CD2 3.89Å; Y729-F733 HydrophobicContact CG-CG 4.44Å; Y729-L737 HydrophobicContact CD2-CD1 3.77Å; Y729-L737 HydrophobicContact CE2-CD1 4.11Å; Y729-I997 HydrophobicContact CD2-CD1 3.92Å; Y729-I997 HydrophobicContact CE2-CD1 3.73Å; Y729-I997 HydrophobicContact CE2-CG1 4.08Å
730	N	92.5	Very high	91.5	Very high	93 Å²	93	63.1 Å²	63.1	50%	0.497	32%	0.321	S	S	.	.			trans	-79.9	176.9	175.3	66.6	15.1	0	0	0	111.6	S732 F733 L734	N730-S732 VanDerWaalsContact C-N 3.29Å; N730-S732 PolarHBondContact O-N 3.07Å; N730-S732 WeakPolarHBondContact OD1-CB 3.38Å; N730-S732 PolarHBondContact OD1-N 3.44Å; N730-F733 PolarHBondContact O-N 3.36Å; N730-F733 WeakPolarHBondContact OD1-CB 3.24Å; N730-F733 WeakPolarHBondContact OD1-CG 3.3Å; N730-F733 PolarHBondContact OD1-N 2.97Å; N730-L734 PolarHBondContact O-N 2.96Å
731	E	91.5	Very high	91.5	Very high	170 Å²	170	63.2 Å²	63.2	79%	0.794	32%	0.322	S	S	*	.	H	α-helix	trans	-61.6	-34.7	-178.9	-168.9	172.1	-170.4	0	0	113.1	L734 L735	E731-L734 PolarHBondContact O-N 3.31Å; E731-L735 PolarHBondContact O-N 3.08Å
732	S	90.4	Very high	91.2	Very high	69 Å²	69	60.2 Å²	60.2	48%	0.483	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-47.3	175.1	-171.9	0	0	0	0	111.7	N730 L735 D736	N730-S732 VanDerWaalsContact C-N 3.29Å; N730-S732 PolarHBondContact O-N 3.07Å; N730-S732 WeakPolarHBondContact OD1-CB 3.38Å; N730-S732 PolarHBondContact OD1-N 3.44Å; S732-L735 WeakPolarHBondContact O-CB 3.43Å; S732-L735 PolarHBondContact O-N 2.91Å; S732-D736 PolarHBondContact O-N 3.25Å
733	F	92.7	Very high	90.9	Very high	49 Å²	49	61.1 Å²	61.1	22%	0.215	31%	0.31	C	S	.	.	H	α-helix	trans	-70.2	-33	179.1	-78.5	5.4	0	0	0	112.7	Y729 N730 L735 D736 L737 N908 I997	Y729-F733 AromaticContact CD1-CD2 3.8Å; Y729-F733 HydrophobicContact CD1-CD2 3.8Å; Y729-F733 HydrophobicContact CD2-CB 4.07Å; Y729-F733 HydrophobicContact CD2-CD2 4.4Å; Y729-F733 HydrophobicContact CE1-CD2 4.22Å; Y729-F733 HydrophobicContact CG-CB 3.94Å; Y729-F733 AromaticContact CG-CD2 3.89Å; Y729-F733 HydrophobicContact CG-CD2 3.89Å; Y729-F733 HydrophobicContact CG-CG 4.44Å; N730-F733 PolarHBondContact O-N 3.36Å; N730-F733 WeakPolarHBondContact OD1-CB 3.24Å; N730-F733 WeakPolarHBondContact OD1-CG 3.3Å; N730-F733 PolarHBondContact OD1-N 2.97Å; F733-L735 VanDerWaalsContact C-N 3.3Å; F733-D736 PolarHBondContact O-N 3.41Å; F733-L737 WeakPolarHBondContact O-CG 3.11Å; F733-L737 PolarHBondContact O-N 3.2Å; F733-N908 HydrophobicContact CE1-CB 4.46Å; F733-I997 HydrophobicContact CB-CD1 3.44Å; F733-I997 VanDerWaalsContact CB-CD1 3.44Å; F733-I997 HydrophobicContact CD1-CD1 4.02Å; F733-I997 HydrophobicContact CD1-CG2 4.06Å; F733-I997 HydrophobicContact CD2-CD1 3.99Å; F733-I997 HydrophobicContact CE1-CG2 3.89Å; F733-I997 HydrophobicContact CE2-CG2 4.36Å; F733-I997 HydrophobicContact CG-CD1 3.55Å; F733-I997 HydrophobicContact CG-CG2 4.38Å; F733-I997 HydrophobicContact CZ-CG2 4.05Å; F733-I997 WeakPolarHBondContact O-CD1 3.49Å
734	L	93.3	Very high	90.8	Very high	30 Å²	30	60.9 Å²	60.9	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-43.6	169.5	171.9	63.2	0	0	0	110.8	A720 H721 A724 N730 E731 L737 I738	A720-L734 HydrophobicContact CB-CD1 4.08Å; H721-L734 VanDerWaalsContact CE1-CD2 3.48Å; H721-L734 WeakPolarHBondContact CE1-CD2 3.44Å; A724-L734 HydrophobicContact CB-CB 4.17Å; A724-L734 HydrophobicContact CB-CD1 3.82Å; N730-L734 PolarHBondContact O-N 2.96Å; E731-L734 PolarHBondContact O-N 3.31Å; L734-L737 WeakPolarHBondContact O-CB 3.32Å; L734-L737 PolarHBondContact O-N 3.44Å; L734-I738 HydrophobicContact CD1-CD1 4.16Å; L734-I738 HydrophobicContact CD1-CG1 4.35Å; L734-I738 HydrophobicContact CG-CD1 4.08Å; L734-I738 WeakPolarHBondContact O-CG1 3.3Å; L734-I738 PolarHBondContact O-N 2.95Å
735	L	90.1	Very high	90.7	Very high	82 Å²	82	60.6 Å²	60.6	43%	0.429	31%	0.306	S	S	.	.	H	α-helix	trans	-64.3	-42.2	177.8	-171.9	64.3	0	0	0	111.6	E731 S732 F733 L737 I738 Y739	E731-L735 PolarHBondContact O-N 3.08Å; S732-L735 WeakPolarHBondContact O-CB 3.43Å; S732-L735 PolarHBondContact O-N 2.91Å; F733-L735 VanDerWaalsContact C-N 3.3Å; L735-L737 VanDerWaalsContact C-N 3.32Å; L735-L737 PolarHBondContact O-N 2.99Å; L735-I738 PolarHBondContact O-N 3.25Å; L735-I738 VanDerWaalsContact O-N 3.17Å; L735-Y739 HydrophobicContact CD1-CD2 4.29Å; L735-Y739 HydrophobicContact CD1-CE2 3.74Å; L735-Y739 HydrophobicContact CD2-CE2 3.81Å; L735-Y739 HydrophobicContact CG-CD2 3.86Å; L735-Y739 HydrophobicContact CG-CE2 3.43Å; L735-Y739 VanDerWaalsContact CG-CE2 3.43Å; L735-Y739 WeakPolarHBondContact O-CD2 3.39Å; L735-Y739 PolarHBondContact O-N 3.29Å
736	D	90.9	Very high	90.4	Very high	18 Å²	18	57.2 Å²	57.2	10%	0.096	29%	0.287	C	S	.	.	H	α-helix	trans	-59.2	-42.1	173.8	-67.9	-19.6	0	0	0	111.9	S732 F733 Y739 C740 A924 I997	S732-D736 PolarHBondContact O-N 3.25Å; F733-D736 PolarHBondContact O-N 3.41Å; D736-Y739 PolarHBondContact O-N 3.01Å; D736-C740 VanDerWaalsContact O-CB 3.27Å; D736-C740 WeakPolarHBondContact O-CB 3.48Å; D736-C740 PolarHBondContact O-N 3.46Å; D736-A924 HydrophobicContact CB-CB 4.06Å; D736-A924 VanDerWaalsContact OD1-CB 3.3Å; D736-A924 WeakPolarHBondContact OD1-CB 3.42Å; D736-I997 HydrophobicContact CB-CD1 4.31Å
737	L	92.5	Very high	90.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-43	174.1	-78	173.1	0	0	0	112.2	A720 I723 A724 Y729 F733 L734 L735 Y739 C740 L741 T910 L995 I997	A720-L737 HydrophobicContact CB-CB 4.21Å; I723-L737 HydrophobicContact CB-CD1 4.21Å; I723-L737 HydrophobicContact CG2-CD1 3.81Å; I723-L737 HydrophobicContact CG2-CD2 4.32Å; A724-L737 HydrophobicContact CB-CD1 4.16Å; Y729-L737 HydrophobicContact CD2-CD1 3.77Å; Y729-L737 HydrophobicContact CE2-CD1 4.11Å; F733-L737 WeakPolarHBondContact O-CG 3.11Å; F733-L737 PolarHBondContact O-N 3.2Å; L734-L737 WeakPolarHBondContact O-CB 3.32Å; L734-L737 PolarHBondContact O-N 3.44Å; L735-L737 VanDerWaalsContact C-N 3.32Å; L735-L737 PolarHBondContact O-N 2.99Å; L737-Y739 VanDerWaalsContact C-N 3.34Å; L737-C740 PolarHBondContact O-N 3.29Å; L737-L741 WeakPolarHBondContact O-CB 3.31Å; L737-L741 WeakPolarHBondContact O-CG 3.27Å; L737-L741 PolarHBondContact O-N 3.11Å; L737-T910 HydrophobicContact CD2-CG2 4.34Å; L737-L995 HydrophobicContact CD2-CB 3.94Å; L737-L995 HydrophobicContact CD2-CD2 4.31Å; L737-I997 HydrophobicContact CG-CD1 4.23Å
738	I	90.6	Very high	90.3	Very high	40 Å²	40	49.4 Å²	49.4	21%	0.205	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-45.7	176.8	-70.1	168.1	0	0	0	109.9	A720 L734 L735 S742	A720-I738 HydrophobicContact CB-CG1 3.52Å; L734-I738 HydrophobicContact CD1-CD1 4.16Å; L734-I738 HydrophobicContact CD1-CG1 4.35Å; L734-I738 HydrophobicContact CG-CD1 4.08Å; L734-I738 WeakPolarHBondContact O-CG1 3.3Å; L734-I738 PolarHBondContact O-N 2.95Å; L735-I738 PolarHBondContact O-N 3.25Å; L735-I738 VanDerWaalsContact O-N 3.17Å; I738-S742 WeakPolarHBondContact O-CB 3.45Å; I738-S742 PolarHBondContact O-N 3.02Å; I738-S742 PolarHBondContact O-OG 3.2Å
739	Y	88.9	Confident	90.1	Very high	85 Å²	85	45 Å²	45	33%	0.333	22%	0.218	S	C	.	.	H	α-helix	trans	-62.9	-44.1	176	-75.7	-55.8	0	0	0	112	L735 D736 L737 S742 Y743 A924	L735-Y739 HydrophobicContact CD1-CD2 4.29Å; L735-Y739 HydrophobicContact CD1-CE2 3.74Å; L735-Y739 HydrophobicContact CD2-CE2 3.81Å; L735-Y739 HydrophobicContact CG-CD2 3.86Å; L735-Y739 HydrophobicContact CG-CE2 3.43Å; L735-Y739 VanDerWaalsContact CG-CE2 3.43Å; L735-Y739 WeakPolarHBondContact O-CD2 3.39Å; L735-Y739 PolarHBondContact O-N 3.29Å; D736-Y739 PolarHBondContact O-N 3.01Å; L737-Y739 VanDerWaalsContact C-N 3.34Å; Y739-S742 PolarHBondContact O-N 3.29Å; Y739-Y743 WeakPolarHBondContact O-CB 3.46Å; Y739-Y743 PolarHBondContact O-N 3.48Å; Y739-A924 HydrophobicContact CD2-CB 4.36Å
740	C	91.8	Very high	90	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.2	-51.8	177.6	-177.2	0	0	0	0	112	D736 L737 S742 Y743 M744 T910 L922	D736-C740 VanDerWaalsContact O-CB 3.27Å; D736-C740 WeakPolarHBondContact O-CB 3.48Å; D736-C740 PolarHBondContact O-N 3.46Å; L737-C740 PolarHBondContact O-N 3.29Å; C740-S742 VanDerWaalsContact C-N 3.33Å; C740-S742 PolarHBondContact O-N 3.1Å; C740-Y743 PolarHBondContact O-N 2.66Å; C740-M744 WeakPolarHBondContact O-CB 3.49Å; C740-M744 VanDerWaalsContact O-CG 3.25Å; C740-M744 WeakPolarHBondContact O-CG 3.49Å; C740-M744 PolarHBondContact O-N 2.92Å; C740-T910 HydrophobicContact CB-CG2 3.76Å; C740-T910 VanDerWaalsContact SG-CG2 3.5Å; C740-L922 VanDerWaalsContact CA-CD2 3.44Å; C740-L922 HydrophobicContact CB-CD2 3.9Å
741	L	91.4	Very high	89.8	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-66.6	-35.3	179.1	-71.4	169.9	0	0	0	112.2	L693 V716 L719 A720 L737 M744 T745 L995	L693-L741 HydrophobicContact CD2-CD2 4.09Å; V716-L741 HydrophobicContact CG1-CB 3.82Å; L719-L741 HydrophobicContact CB-CD1 4.14Å; L719-L741 HydrophobicContact CD2-CD1 4.07Å; L719-L741 HydrophobicContact CD2-CD2 3.81Å; L719-L741 HydrophobicContact CG-CD1 3.92Å; A720-L741 HydrophobicContact CB-CD1 3.86Å; L737-L741 WeakPolarHBondContact O-CB 3.31Å; L737-L741 WeakPolarHBondContact O-CG 3.27Å; L737-L741 PolarHBondContact O-N 3.11Å; L741-M744 HydrophobicContact CD2-SD 4.45Å; L741-M744 PolarHBondContact O-N 3.13Å; L741-T745 VanDerWaalsContact O-CB 3.26Å; L741-T745 WeakPolarHBondContact O-CB 3.21Å; L741-T745 PolarHBondContact O-N 3.16Å; L741-T745 PolarHBondContact O-OG1 2.82Å; L741-L995 HydrophobicContact CD2-CD1 3.94Å; L741-L995 HydrophobicContact CD2-CD2 3.96Å; L741-L995 HydrophobicContact CG-CD2 4.25Å
742	S	88.2	Confident	89.8	Confident	25 Å²	25	36 Å²	36	18%	0.175	19%	0.188	C	C	.	.	H	α-helix	trans	-63.7	-44.9	173.4	-63.8	0	0	0	0	111.1	I738 Y739 C740 T745 Y746	I738-S742 WeakPolarHBondContact O-CB 3.45Å; I738-S742 PolarHBondContact O-N 3.02Å; I738-S742 PolarHBondContact O-OG 3.2Å; Y739-S742 PolarHBondContact O-N 3.29Å; C740-S742 VanDerWaalsContact C-N 3.33Å; C740-S742 PolarHBondContact O-N 3.1Å; S742-T745 WeakPolarHBondContact O-CB 3.49Å; S742-T745 PolarHBondContact O-N 3.48Å; S742-Y746 VanDerWaalsContact O-CB 3.25Å; S742-Y746 WeakPolarHBondContact O-CB 3.44Å; S742-Y746 PolarHBondContact O-N 2.62Å
743	Y	87.9	Confident	90	Very high	65 Å²	65	36.1 Å²	36.1	26%	0.255	18%	0.182	S	C	.	.	H	α-helix	trans	-65.4	-45.4	176	-177.6	-97.6	0	0	0	111.8	Y739 C740 T745 Y746 V747 M912 T929	Y739-Y743 WeakPolarHBondContact O-CB 3.46Å; Y739-Y743 PolarHBondContact O-N 3.48Å; C740-Y743 PolarHBondContact O-N 2.66Å; Y743-T745 PolarHBondContact O-N 2.84Å; Y743-Y746 WeakPolarHBondContact O-CB 3.48Å; Y743-Y746 PolarHBondContact O-N 3.32Å; Y743-Y746 VanDerWaalsContact O-N 3.15Å; Y743-V747 HydrophobicContact CD1-CG1 4.22Å; Y743-V747 HydrophobicContact CE1-CG1 3.77Å; Y743-V747 HydrophobicContact CE2-CG1 4.08Å; Y743-V747 WeakPolarHBondContact O-CG2 3.4Å; Y743-V747 PolarHBondContact O-N 3.43Å; Y743-M912 HydrophobicContact CD1-CE 4.24Å; Y743-M912 HydrophobicContact CD1-SD 3.44Å; Y743-M912 WeakPolarHBondContact CD1-SD 3.37Å; Y743-M912 HydrophobicContact CE1-CE 3.93Å; Y743-M912 HydrophobicContact CE1-SD 3.74Å; Y743-T929 WeakPolarHBondContact CE1-OG1 3.45Å; Y743-T929 PolarHBondContact OH-OG1 3.48Å
744	M	89.5	Confident	90.1	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-58.2	-37.6	174.3	-73.1	-178.5	80.4	0	0	111.6	L693 C740 L741 V747 R748 M912 L995	L693-M744 HydrophobicContact CD1-CB 4.23Å; L693-M744 HydrophobicContact CD2-CB 4.26Å; L693-M744 HydrophobicContact CD2-CE 3.71Å; L693-M744 HydrophobicContact CD2-SD 4.17Å; L693-M744 HydrophobicContact CG-CE 4.42Å; C740-M744 WeakPolarHBondContact O-CB 3.49Å; C740-M744 VanDerWaalsContact O-CG 3.25Å; C740-M744 WeakPolarHBondContact O-CG 3.49Å; C740-M744 PolarHBondContact O-N 2.92Å; L741-M744 HydrophobicContact CD2-SD 4.45Å; L741-M744 PolarHBondContact O-N 3.13Å; M744-V747 VanDerWaalsContact O-CG2 3.3Å; M744-V747 WeakPolarHBondContact O-CG2 3.29Å; M744-R748 WeakPolarHBondContact O-CD 2.96Å; M744-R748 WeakPolarHBondContact O-CG 3.5Å; M744-R748 PolarHBondContact O-NH1 3.01Å; M744-M912 WeakPolarHBondContact CE-O 3.3Å; M744-M912 HydrophobicContact CG-CG 4.44Å; M744-M912 HydrophobicContact CG-SD 4.36Å; M744-L995 HydrophobicContact SD-CD2 4.05Å
745	T	89.4	Confident	90.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-68.4	-49	174.5	-64.4	0	0	0	0	110.8	F690 L712 V716 L741 S742 Y743 V747 R748 L749	F690-T745 HydrophobicContact CE1-CG2 4.03Å; F690-T745 HydrophobicContact CZ-CG2 4.29Å; L712-T745 HydrophobicContact CD1-CG2 3.91Å; L712-T745 HydrophobicContact CD2-CG2 3.66Å; L712-T745 HydrophobicContact CG-CG2 3.92Å; V716-T745 HydrophobicContact CG2-CG2 4.44Å; V716-T745 WeakPolarHBondContact CG2-OG1 3.44Å; L741-T745 VanDerWaalsContact O-CB 3.26Å; L741-T745 WeakPolarHBondContact O-CB 3.21Å; L741-T745 PolarHBondContact O-N 3.16Å; L741-T745 PolarHBondContact O-OG1 2.82Å; S742-T745 WeakPolarHBondContact O-CB 3.49Å; S742-T745 PolarHBondContact O-N 3.48Å; Y743-T745 PolarHBondContact O-N 2.84Å; T745-V747 PolarHBondContact O-N 3.25Å; T745-R748 WeakPolarHBondContact O-CB 3.46Å; T745-R748 PolarHBondContact O-N 3.26Å; T745-L749 PolarHBondContact O-N 2.79Å
746	Y	86.7	Confident	90.1	Very high	73 Å²	73	30.1 Å²	30.1	29%	0.286	15%	0.151	S	C	.	.	H	α-helix	trans	-53.4	-48.8	-179.8	172.1	-97.2	0	0	0	112.5	L585 S742 Y743 R748 L749 R884	L585-Y746 HydrophobicContact CB-CD2 4.21Å; L585-Y746 HydrophobicContact CD1-CD2 4.08Å; S742-Y746 VanDerWaalsContact O-CB 3.25Å; S742-Y746 WeakPolarHBondContact O-CB 3.44Å; S742-Y746 PolarHBondContact O-N 2.62Å; Y743-Y746 WeakPolarHBondContact O-CB 3.48Å; Y743-Y746 PolarHBondContact O-N 3.32Å; Y743-Y746 VanDerWaalsContact O-N 3.15Å; Y746-R748 PolarHBondContact O-N 3.36Å; Y746-R748 VanDerWaalsContact O-N 3.11Å; Y746-L749 WeakPolarHBondContact O-CB 3.48Å; Y746-L749 PolarHBondContact O-N 2.95Å; Y746-L749 VanDerWaalsContact O-N 3.1Å; Y746-R884 PolarHBondContact OH-NH1 3.36Å; Y746-R884 PolarHBondContact OH-NH2 3.42Å
747	V	86.5	Confident	90	Very high	30 Å²	30	29.3 Å²	29.3	18%	0.182	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.3	-179.2	-62	0	0	0	0	113.8	P194 Y743 M744 T745	P194-V747 HydrophobicContact CB-CB 4.07Å; P194-V747 HydrophobicContact CB-CG1 4.42Å; P194-V747 HydrophobicContact CB-CG2 4.49Å; P194-V747 HydrophobicContact CG-CB 4.07Å; P194-V747 HydrophobicContact CG-CG1 4.43Å; Y743-V747 HydrophobicContact CD1-CG1 4.22Å; Y743-V747 HydrophobicContact CE1-CG1 3.77Å; Y743-V747 HydrophobicContact CE2-CG1 4.08Å; Y743-V747 WeakPolarHBondContact O-CG2 3.4Å; Y743-V747 PolarHBondContact O-N 3.43Å; M744-V747 VanDerWaalsContact O-CG2 3.3Å; M744-V747 WeakPolarHBondContact O-CG2 3.29Å; T745-V747 PolarHBondContact O-N 3.25Å
748	R	89.2	Confident	89.7	Confident	33 Å²	33	29.4 Å²	29.4	13%	0.125	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-11.4	177.8	-69.6	168	173.7	79.1	-1	113	R689 F690 M744 T745 Y746	R689-R748 HydrophobicContact CB-CB 4.34Å; R689-R748 WeakPolarHBondContact CD-O 3.36Å; R689-R748 VanDerWaalsContact O-CD 3.28Å; R689-R748 WeakPolarHBondContact O-CD 3.46Å; R689-R748 PolarHBondContact O-NE 2.82Å; F690-R748 HydrophobicContact CD2-CB 4.26Å; F690-R748 HydrophobicContact CE1-CB 4.12Å; F690-R748 HydrophobicContact CE2-CB 3.63Å; F690-R748 HydrophobicContact CZ-CB 3.59Å; M744-R748 WeakPolarHBondContact O-CD 2.96Å; M744-R748 WeakPolarHBondContact O-CG 3.5Å; M744-R748 PolarHBondContact O-NH1 3.01Å; T745-R748 WeakPolarHBondContact O-CB 3.46Å; T745-R748 PolarHBondContact O-N 3.26Å; Y746-R748 PolarHBondContact O-N 3.36Å; Y746-R748 VanDerWaalsContact O-N 3.11Å
749	L	88.5	Confident	89.3	Confident	19 Å²	19	28.7 Å²	28.7	10%	0.099	15%	0.145	C	C	.	.	S	Bend	trans	-69.5	156.9	175.3	-64.1	-178.6	0	0	0	111.8	L585 P685 F690 L712 T745 Y746 Y809	L585-L749 HydrophobicContact CD1-CD1 3.38Å; P685-L749 HydrophobicContact CB-CD2 4.19Å; P685-L749 HydrophobicContact CG-CD2 3.92Å; F690-L749 HydrophobicContact CZ-CD2 4.08Å; L712-L749 HydrophobicContact CD2-CD2 4.09Å; T745-L749 PolarHBondContact O-N 2.79Å; Y746-L749 WeakPolarHBondContact O-CB 3.48Å; Y746-L749 PolarHBondContact O-N 2.95Å; Y746-L749 VanDerWaalsContact O-N 3.1Å; L749-Y809 HydrophobicContact CD2-CD1 4.28Å; L749-Y809 HydrophobicContact CD2-CE1 3.81Å
750	S	87.7	Confident	89.1	Confident	28 Å²	28	25.8 Å²	25.8	20%	0.196	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-73.7	153.7	173.4	-64.1	0	0	0	0	110.3	H682 P683	H682-S750 PolarHBondContact CD2-O 3.29Å; H682-S750 VanDerWaalsContact CD2-O 3.29Å; H682-S750 PolarHBondContact NE2-O 3.21Å; P683-S750 WeakPolarHBondContact O-CB 3.49Å
751	V	88.3	Confident	88.8	Confident	90 Å²	90	26.7 Å²	26.7	55%	0.545	14%	0.138	S	C	.	.	P	Polyproline II helix	trans	-73.7	137.3	169.8	-177.2	0	0	0	0	108.3
752	A	92.2	Very high	88.2	Confident	16 Å²	16	30 Å²	30	13%	0.132	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-74.2	133.1	172.7	0	0	0	0	0	111.1	N681 H682	N681-A752 CarbonylContact O-C 3.51Å; N681-A752 WeakPolarHBondContact O-CA 3.48Å; N681-A752 WeakPolarHBondContact O-CB 3.08Å; H682-A752 HydrophobicContact CB-CB 3.86Å
753	L	94	Very high	87.5	Confident	70 Å²	70	30.7 Å²	30.7	37%	0.366	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.9	-167.7	-61.2	172.2	0	0	0	111.1	R680 N681 N877	R680-L753 CarbonylContact C-O 3.55Å; R680-L753 VanDerWaalsContact CA-O 3.28Å; R680-L753 WeakPolarHBondContact CA-O 3.48Å; N681-L753 PolarHBondContact N-O 2.95Å; N681-L753 PolarHBondContact O-N 3.45Å; N681-L753 PolarHBondContact OD1-O 2.77Å; L753-N877 WeakPolarHBondContact CA-OD1 3.28Å; L753-N877 HydrophobicContact CD2-CB 4.19Å
754	Y	95.3	Very high	87.1	Confident	9 Å²	9	27.9 Å²	27.9	4%	0.035	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	144.2	159.5	-61.4	-72.4	0	0	0	109.6	L679 R680 H818 A827 V873 C876 N877	L679-Y754 CarbonylContact O-C 3.58Å; L679-Y754 VanDerWaalsContact O-CA 3.29Å; L679-Y754 WeakPolarHBondContact O-CA 3.37Å; R680-Y754 HydrophobicContact CB-CD1 3.94Å; R680-Y754 HydrophobicContact CB-CE1 4.3Å; R680-Y754 HydrophobicContact CG-CD1 4.04Å; R680-Y754 HydrophobicContact CG-CE1 4.29Å; Y754-H818 HydrophobicContact CE1-CB 4.11Å; Y754-H818 AromaticContact CE1-ND1 3.69Å; Y754-H818 AromaticContact CZ-ND1 3.49Å; Y754-H818 PolarHBondContact OH-ND1 2.82Å; Y754-A827 HydrophobicContact CD1-CB 4.04Å; Y754-A827 HydrophobicContact CD2-CB 4.47Å; Y754-A827 HydrophobicContact CE1-CB 3.44Å; Y754-A827 VanDerWaalsContact CE1-CB 3.44Å; Y754-A827 HydrophobicContact CE2-CB 3.96Å; Y754-A827 HydrophobicContact CG-CB 4.49Å; Y754-A827 WeakPolarHBondContact OH-CB 3.48Å; Y754-V873 WeakPolarHBondContact O-CG1 3.34Å; Y754-C876 HydrophobicContact CD2-CB 3.96Å; Y754-C876 HydrophobicContact CE2-CB 4.28Å; Y754-N877 VanDerWaalsContact CD2-OD1 3.27Å; Y754-N877 WeakPolarHBondContact CD2-OD1 3.25Å; Y754-N877 PolarHBondContact N-ND2 3.36Å; Y754-N877 PolarHBondContact N-OD1 3.11Å; Y754-N877 PolarHBondContact O-ND2 2.91Å
755	F	92.2	Very high	86.7	Confident	24 Å²	24	28.9 Å²	28.9	11%	0.105	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	154.6	173.4	67.2	-82.9	0	0	0	110.3	L679 N681 L757 M760 T806	L679-F755 HydrophobicContact CB-CD1 4.43Å; L679-F755 HydrophobicContact CB-CE1 3.68Å; L679-F755 HydrophobicContact CB-CE2 3.94Å; L679-F755 HydrophobicContact CB-CZ 3.41Å; L679-F755 VanDerWaalsContact CB-CZ 3.41Å; L679-F755 HydrophobicContact CD1-CE2 4.38Å; L679-F755 HydrophobicContact CD1-CZ 4.05Å; L679-F755 HydrophobicContact CG-CZ 4.33Å; L679-F755 PolarHBondContact N-O 3.13Å; L679-F755 PolarHBondContact O-N 3.36Å; N681-F755 HydrophobicContact CB-CD1 4.06Å; N681-F755 HydrophobicContact CB-CE1 3.56Å; N681-F755 HydrophobicContact CB-CZ 4.46Å; F755-L757 HydrophobicContact CE2-CD1 4.14Å; F755-M760 HydrophobicContact CD2-CB 4.15Å; F755-M760 HydrophobicContact CD2-CE 4Å; F755-M760 HydrophobicContact CD2-SD 3.72Å; F755-M760 HydrophobicContact CE2-CE 3.34Å; F755-M760 HydrophobicContact CE2-SD 3.65Å; F755-M760 HydrophobicContact CG-SD 4.48Å; F755-M760 HydrophobicContact CZ-CE 3.98Å; F755-M760 HydrophobicContact CZ-SD 4.35Å; F755-T806 HydrophobicContact CE2-CG2 4.18Å; F755-T806 HydrophobicContact CZ-CG2 3.84Å
756	N	90.1	Very high	86	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126	168.8	-175.8	17	0	0	0	109.6	A677 D758 T759 M760 I869 D870	A677-N756 PolarHBondContact O-OD1 2.69Å; N756-D758 VanDerWaalsContact C-N 3.33Å; N756-D758 PolarHBondContact O-N 3.06Å; N756-D758 PolarHBondContact OD1-N 2.99Å; N756-T759 PolarHBondContact ND2-OG1 3.38Å; N756-T759 VanDerWaalsContact ND2-OG1 3.14Å; N756-T759 PolarHBondContact O-N 3.01Å; N756-M760 PolarHBondContact O-N 3.42Å; N756-I869 HydrophobicContact CB-CG2 4.02Å; N756-D870 WeakPolarHBondContact CB-OD1 3.12Å
757	L	90	Very high	85.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.7	-37.9	-177.6	-173.7	59.4	0	0	0	112.1	F645 F648 A677 L679 F755 M760 Y761 M802 T806	F645-L757 HydrophobicContact CB-CD2 4.49Å; F645-L757 HydrophobicContact CD2-CD1 4.17Å; F645-L757 HydrophobicContact CD2-CD2 3.59Å; F645-L757 HydrophobicContact CE2-CD1 4.19Å; F645-L757 HydrophobicContact CE2-CD2 4.25Å; F645-L757 HydrophobicContact CG-CD2 4.38Å; F648-L757 HydrophobicContact CB-CD2 3.68Å; F648-L757 HydrophobicContact CD1-CD2 3.46Å; F648-L757 VanDerWaalsContact CD1-CD2 3.46Å; F648-L757 HydrophobicContact CD1-CG 3.86Å; F648-L757 HydrophobicContact CD2-CD2 4.01Å; F648-L757 HydrophobicContact CD2-CG 4.12Å; F648-L757 HydrophobicContact CE1-CD2 4.06Å; F648-L757 HydrophobicContact CE1-CG 3.93Å; F648-L757 HydrophobicContact CE2-CG 4.2Å; F648-L757 HydrophobicContact CG-CD2 3.43Å; F648-L757 VanDerWaalsContact CG-CD2 3.43Å; F648-L757 HydrophobicContact CG-CG 3.96Å; F648-L757 HydrophobicContact CZ-CG 4.11Å; A677-L757 HydrophobicContact CB-CB 3.91Å; A677-L757 HydrophobicContact CB-CD2 4.06Å; A677-L757 WeakPolarHBondContact O-CB 3.24Å; A677-L757 PolarHBondContact O-N 3.44Å; L679-L757 HydrophobicContact CD1-CD1 4.21Å; L679-L757 HydrophobicContact CD1-CD2 4.11Å; F755-L757 HydrophobicContact CE2-CD1 4.14Å; L757-M760 HydrophobicContact CD1-CE 3.88Å; L757-M760 PolarHBondContact O-N 3.17Å; L757-Y761 WeakPolarHBondContact O-CB 3.36Å; L757-Y761 PolarHBondContact O-N 2.89Å; L757-M802 HydrophobicContact CD1-CE 3.42Å; L757-M802 VanDerWaalsContact CD1-CE 3.42Å; L757-M802 HydrophobicContact CG-CE 4.38Å; L757-T806 HydrophobicContact CD1-CG2 3.96Å
758	D	86.2	Confident	84.8	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-50	177.7	-69	-101.5	0	0	0	111.8	F648 R651 W674 G676 A677 N756 M760 Y761 N762	F648-D758 HydrophobicContact CE2-CB 4.48Å; R651-D758 IonicContact CZ-OD1 2.7Å; R651-D758 VanDerWaalsContact CZ-OD1 3.25Å; R651-D758 IonicContact NH1-OD1 3.4Å; R651-D758 IonicContact NH2-OD1 3.43Å; R651-D758 PolarHBondContact NH2-OD1 3.44Å; W674-D758 VanDerWaalsContact NE1-CG 3.29Å; W674-D758 PolarHBondContact NE1-OD1 2.9Å; W674-D758 PolarHBondContact NE1-OD2 3.38Å; G676-D758 VanDerWaalsContact CA-OD2 3.3Å; G676-D758 WeakPolarHBondContact CA-OD2 3.48Å; A677-D758 PolarHBondContact N-OD2 3.39Å; N756-D758 VanDerWaalsContact C-N 3.33Å; N756-D758 PolarHBondContact O-N 3.06Å; N756-D758 PolarHBondContact OD1-N 2.99Å; D758-M760 VanDerWaalsContact C-N 3.34Å; D758-M760 PolarHBondContact O-N 3.4Å; D758-Y761 PolarHBondContact O-N 2.97Å; D758-N762 WeakPolarHBondContact O-CB 3.15Å; D758-N762 VanDerWaalsContact O-CG 3.22Å; D758-N762 PolarHBondContact O-N 3.42Å; D758-N762 PolarHBondContact O-ND2 3.34Å
759	T	82.1	Confident	84.4	Confident	25 Å²	25	43.8 Å²	43.8	15%	0.153	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-42.4	177.9	-58.6	0	0	0	0	111.4	N756 Y761 N762 I763 D870	N756-T759 PolarHBondContact ND2-OG1 3.38Å; N756-T759 VanDerWaalsContact ND2-OG1 3.14Å; N756-T759 PolarHBondContact O-N 3.01Å; T759-Y761 PolarHBondContact O-N 3.46Å; T759-N762 PolarHBondContact O-N 3.2Å; T759-I763 HydrophobicContact CG2-CD1 3.97Å; T759-I763 VanDerWaalsContact O-CG1 3.31Å; T759-I763 WeakPolarHBondContact O-CG1 3.45Å; T759-I763 PolarHBondContact O-N 3.29Å; T759-D870 VanDerWaalsContact CB-OD1 3.28Å; T759-D870 WeakPolarHBondContact CB-OD1 3.24Å; T759-D870 WeakPolarHBondContact CB-OD2 3.34Å; T759-D870 WeakPolarHBondContact CG2-OD2 3.32Å; T759-D870 PolarHBondContact OG1-OD1 3.47Å; T759-D870 PolarHBondContact OG1-OD2 3.44Å
760	M	84.4	Confident	83.9	Confident	24 Å²	24	48.3 Å²	48.3	12%	0.118	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-46.2	176.7	-170.8	169	76	0	0	111.7	F755 N756 L757 D758 N762 I763 L764 M802 T806	F755-M760 HydrophobicContact CD2-CB 4.15Å; F755-M760 HydrophobicContact CD2-CE 4Å; F755-M760 HydrophobicContact CD2-SD 3.72Å; F755-M760 HydrophobicContact CE2-CE 3.34Å; F755-M760 HydrophobicContact CE2-SD 3.65Å; F755-M760 HydrophobicContact CG-SD 4.48Å; F755-M760 HydrophobicContact CZ-CE 3.98Å; F755-M760 HydrophobicContact CZ-SD 4.35Å; N756-M760 PolarHBondContact O-N 3.42Å; L757-M760 HydrophobicContact CD1-CE 3.88Å; L757-M760 PolarHBondContact O-N 3.17Å; D758-M760 VanDerWaalsContact C-N 3.34Å; D758-M760 PolarHBondContact O-N 3.4Å; M760-N762 PolarHBondContact O-N 3Å; M760-I763 PolarHBondContact O-N 3.36Å; M760-L764 HydrophobicContact CG-CD1 3.83Å; M760-L764 HydrophobicContact CG-CG 4.39Å; M760-L764 WeakPolarHBondContact O-CB 3.48Å; M760-L764 VanDerWaalsContact O-CG 3.27Å; M760-L764 WeakPolarHBondContact O-CG 3.26Å; M760-L764 PolarHBondContact O-N 3.3Å; M760-M802 HydrophobicContact CE-CE 3.66Å; M760-T806 HydrophobicContact CE-CG2 3.49Å; M760-T806 VanDerWaalsContact CE-CG2 3.49Å
761	Y	85.2	Confident	83.4	Confident	19 Å²	19	54.2 Å²	54.2	8%	0.075	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-41.9	175.8	175.9	-99.5	0	0	0	112.3	F648 L652 L757 D758 T759 I763 L764 S765 L774 M802	F648-Y761 HydrophobicContact CZ-CD1 4.29Å; F648-Y761 HydrophobicContact CZ-CD2 4.35Å; F648-Y761 AromaticContact CZ-CG 3.84Å; F648-Y761 HydrophobicContact CZ-CG 3.84Å; L652-Y761 HydrophobicContact CD1-CD1 4.25Å; L652-Y761 HydrophobicContact CD1-CD2 3.97Å; L652-Y761 HydrophobicContact CD1-CE1 4.04Å; L652-Y761 HydrophobicContact CD1-CE2 3.75Å; L652-Y761 HydrophobicContact CD1-CG 4.22Å; L652-Y761 HydrophobicContact CD2-CD1 4.21Å; L652-Y761 HydrophobicContact CD2-CE1 3.81Å; L757-Y761 WeakPolarHBondContact O-CB 3.36Å; L757-Y761 PolarHBondContact O-N 2.89Å; D758-Y761 PolarHBondContact O-N 2.97Å; T759-Y761 PolarHBondContact O-N 3.46Å; Y761-I763 VanDerWaalsContact C-N 3.29Å; Y761-I763 PolarHBondContact O-N 3.1Å; Y761-L764 PolarHBondContact O-N 3.41Å; Y761-S765 VanDerWaalsContact O-CB 3.24Å; Y761-S765 WeakPolarHBondContact O-CB 3.04Å; Y761-S765 PolarHBondContact O-N 3.35Å; Y761-S765 PolarHBondContact O-OG 3.21Å; Y761-L774 HydrophobicContact CE2-CD1 4.3Å; Y761-L774 HydrophobicContact CE2-CD2 4.17Å; Y761-L774 HydrophobicContact CE2-CG 4.28Å; Y761-M802 HydrophobicContact CD2-CG 4.4Å; Y761-M802 HydrophobicContact CD2-SD 4.02Å
762	N	78.4	Confident	83	Confident	70 Å²	70	53.2 Å²	53.2	37%	0.374	25%	0.252	S	S	.	.	H	α-helix	trans	-62.2	-36.4	177.2	-73.6	-22.3	0	0	0	112.2	D758 T759 M760 S765 K766	D758-N762 WeakPolarHBondContact O-CB 3.15Å; D758-N762 VanDerWaalsContact O-CG 3.22Å; D758-N762 PolarHBondContact O-N 3.42Å; D758-N762 PolarHBondContact O-ND2 3.34Å; T759-N762 PolarHBondContact O-N 3.2Å; M760-N762 PolarHBondContact O-N 3Å; N762-S765 PolarHBondContact O-OG 3.4Å; N762-K766 WeakPolarHBondContact O-CG 3.41Å
763	I	74.6	Confident	82.3	Confident	39 Å²	39	52.4 Å²	52.4	20%	0.2	25%	0.246	C	C	.	.	H	α-helix	trans	-70.7	-47.7	174.9	-67.9	168.7	0	0	0	110.6	P103 Y104 T759 M760 Y761 K766	P103-I763 WeakPolarHBondContact O-CD1 3.44Å; Y104-I763 WeakPolarHBondContact O-CG2 3.39Å; T759-I763 HydrophobicContact CG2-CD1 3.97Å; T759-I763 VanDerWaalsContact O-CG1 3.31Å; T759-I763 WeakPolarHBondContact O-CG1 3.45Å; T759-I763 PolarHBondContact O-N 3.29Å; M760-I763 PolarHBondContact O-N 3.36Å; Y761-I763 VanDerWaalsContact C-N 3.29Å; Y761-I763 PolarHBondContact O-N 3.1Å; I763-K766 PolarHBondContact O-N 3.02Å
764	L	79	Confident	81.8	Confident	6 Å²	6	50.6 Å²	50.6	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-68.4	-39.4	-175.4	-69.2	172.7	0	0	0	112.1	M760 Y761 K766 R767 Y768 L773 M802 Y805	M760-L764 HydrophobicContact CG-CD1 3.83Å; M760-L764 HydrophobicContact CG-CG 4.39Å; M760-L764 WeakPolarHBondContact O-CB 3.48Å; M760-L764 VanDerWaalsContact O-CG 3.27Å; M760-L764 WeakPolarHBondContact O-CG 3.26Å; M760-L764 PolarHBondContact O-N 3.3Å; Y761-L764 PolarHBondContact O-N 3.41Å; L764-K766 PolarHBondContact O-N 2.68Å; L764-R767 WeakPolarHBondContact O-CA 3.45Å; L764-R767 PolarHBondContact O-N 3.44Å; L764-Y768 HydrophobicContact CD2-CD2 4.14Å; L764-Y768 HydrophobicContact CD2-CE2 3.92Å; L764-Y768 PolarHBondContact O-N 2.91Å; L764-L773 HydrophobicContact CB-CD1 3.83Å; L764-L773 HydrophobicContact CB-CD2 3.91Å; L764-L773 HydrophobicContact CD1-CD2 4.35Å; L764-M802 HydrophobicContact CD1-SD 3.58Å; L764-M802 VanDerWaalsContact CD1-SD 3.58Å; L764-Y805 HydrophobicContact CD1-CD1 4.24Å; L764-Y805 HydrophobicContact CD1-CD2 3.53Å; L764-Y805 HydrophobicContact CD1-CE2 4Å; L764-Y805 HydrophobicContact CD1-CG 3.67Å; L764-Y805 HydrophobicContact CD2-CD1 4.04Å; L764-Y805 HydrophobicContact CD2-CD2 4.09Å; L764-Y805 HydrophobicContact CD2-CE1 3.72Å; L764-Y805 HydrophobicContact CD2-CE2 3.77Å; L764-Y805 HydrophobicContact CD2-CG 4.21Å; L764-Y805 HydrophobicContact CG-CD2 4.48Å
765	S	80.2	Confident	80.8	Confident	25 Å²	25	54 Å²	54	18%	0.175	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.3	178.1	59.9	0	0	0	0	114.4	Y761 N762	Y761-S765 VanDerWaalsContact O-CB 3.24Å; Y761-S765 WeakPolarHBondContact O-CB 3.04Å; Y761-S765 PolarHBondContact O-N 3.35Å; Y761-S765 PolarHBondContact O-OG 3.21Å; N762-S765 PolarHBondContact O-OG 3.4Å
766	K	74.5	Confident	79.9	Confident	143 Å²	143	59 Å²	59	62%	0.622	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-20.6	168.3	-68.5	174.4	-176.6	-179	0	112.8	N762 I763 L764	N762-K766 WeakPolarHBondContact O-CG 3.41Å; I763-K766 PolarHBondContact O-N 3.02Å; L764-K766 PolarHBondContact O-N 2.68Å
767	R	70.9	Confident	79.4	Confident	132 Å²	132	59.1 Å²	59.1	50%	0.498	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-32.2	-177.5	-65.9	-177.1	-174.5	-172.1	0.4	113.1	D105 L764	D105-R767 VanDerWaalsContact CA-NH2 3.28Å; D105-R767 PolarHBondContact O-NH2 2.66Å; L764-R767 WeakPolarHBondContact O-CA 3.45Å; L764-R767 PolarHBondContact O-N 3.44Å
768	Y	77.8	Confident	78.9	Confident	85 Å²	85	61.1 Å²	61.1	33%	0.333	30%	0.295	S	S	.	.	S	Bend	trans	-131.6	159.3	-173	-54.3	-69.9	0	0	0	110.2	L764 K770 L773 I800 Y805	L764-Y768 HydrophobicContact CD2-CD2 4.14Å; L764-Y768 HydrophobicContact CD2-CE2 3.92Å; L764-Y768 PolarHBondContact O-N 2.91Å; Y768-K770 PolarHBondContact O-N 3.43Å; Y768-L773 HydrophobicContact CD2-CD2 4.27Å; Y768-I800 HydrophobicContact CD1-CD1 4.43Å; Y768-I800 HydrophobicContact CD1-CG2 3.54Å; Y768-I800 HydrophobicContact CD2-CG2 3.99Å; Y768-I800 HydrophobicContact CE1-CG2 4.04Å; Y768-I800 HydrophobicContact CE2-CG2 4.44Å; Y768-I800 HydrophobicContact CG-CG2 3.51Å; Y768-Y805 VanDerWaalsContact CE2-OH 3.3Å; Y768-Y805 WeakPolarHBondContact CE2-OH 3.33Å; Y768-Y805 PolarHBondContact OH-OH 3.02Å
769	D	79.9	Confident	78.6	Confident	90 Å²	90	64.8 Å²	64.8	48%	0.481	31%	0.31	S	S	.	.			trans	-60.8	134.1	172	-162.7	-36.7	0	0	0	110.4	Q771 N772 L773	D769-Q771 PolarHBondContact O-N 2.85Å; D769-Q771 PolarHBondContact OD1-N 3.12Å; D769-N772 HydrophobicContact CB-CB 4.33Å; D769-N772 PolarHBondContact O-N 3.22Å; D769-L773 WeakPolarHBondContact O-CG 3.21Å; D769-L773 PolarHBondContact O-N 3.5Å; D769-L773 VanDerWaalsContact O-N 3.15Å
770	K	78.9	Confident	78.7	Confident	114 Å²	114	67.2 Å²	67.2	50%	0.496	32%	0.322	S	S	.	.	H	α-helix	trans	-59.8	-34.7	176.2	-71.6	-178	178	-177.6	0	112.1	Y768 L773 L774	Y768-K770 PolarHBondContact O-N 3.43Å; K770-L773 PolarHBondContact O-N 3.31Å; K770-L774 PolarHBondContact O-N 2.83Å
771	Q	77.6	Confident	78.5	Confident	152 Å²	152	70 Å²	70	71%	0.71	34%	0.337	S	S	*	.	H	α-helix	trans	-64.4	-47.4	177.8	-77.2	-173.7	-18	0	0	110.6	D769 L773 L774 E775	D769-Q771 PolarHBondContact O-N 2.85Å; D769-Q771 PolarHBondContact OD1-N 3.12Å; Q771-L773 VanDerWaalsContact C-N 3.31Å; Q771-L773 PolarHBondContact O-N 2.86Å; Q771-L774 CarbonylContact O-C 3.57Å; Q771-L774 PolarHBondContact O-N 3.02Å; Q771-E775 WeakPolarHBondContact O-CB 3.45Å; Q771-E775 PolarHBondContact O-N 3.12Å
772	N	79.3	Confident	78.5	Confident	68 Å²	68	74.2 Å²	74.2	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-61.8	-38.8	178.9	-64.1	-3.1	0	0	0	112.1	D769 L774 E775	D769-N772 HydrophobicContact CB-CB 4.33Å; D769-N772 PolarHBondContact O-N 3.22Å; N772-L774 VanDerWaalsContact C-N 3.26Å; N772-L774 PolarHBondContact O-N 2.99Å; N772-E775 WeakPolarHBondContact O-CB 3.42Å; N772-E775 PolarHBondContact O-N 3.06Å
773	L	78.5	Confident	78.9	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-63.6	-30.6	179.1	-74.6	169.7	0	0	0	113.9	L764 Y768 D769 K770 Q771 I777 I800 M802	L764-L773 HydrophobicContact CB-CD1 3.83Å; L764-L773 HydrophobicContact CB-CD2 3.91Å; L764-L773 HydrophobicContact CD1-CD2 4.35Å; Y768-L773 HydrophobicContact CD2-CD2 4.27Å; D769-L773 WeakPolarHBondContact O-CG 3.21Å; D769-L773 PolarHBondContact O-N 3.5Å; D769-L773 VanDerWaalsContact O-N 3.15Å; K770-L773 PolarHBondContact O-N 3.31Å; Q771-L773 VanDerWaalsContact C-N 3.31Å; Q771-L773 PolarHBondContact O-N 2.86Å; L773-I777 WeakPolarHBondContact O-CD1 3.26Å; L773-I800 WeakPolarHBondContact CA-O 3.45Å; L773-I800 HydrophobicContact CD2-CG2 4.41Å; L773-M802 HydrophobicContact CB-CG 4.28Å; L773-M802 WeakPolarHBondContact O-CG 3.46Å; L773-M802 PolarHBondContact O-N 2.8Å
774	L	81.9	Confident	79.4	Confident	32 Å²	32	71.2 Å²	71.2	17%	0.168	34%	0.339	C	S	.	.	H	α-helix	trans	-105.8	0.5	-177.8	-59.7	177.9	0	0	0	112.6	I649 L652 Y761 K770 Q771 N772 N776 I777 M802	I649-L774 HydrophobicContact CD1-CD2 3.73Å; L652-L774 HydrophobicContact CD1-CD1 4.25Å; L652-L774 HydrophobicContact CD1-CD2 4.07Å; Y761-L774 HydrophobicContact CE2-CD1 4.3Å; Y761-L774 HydrophobicContact CE2-CD2 4.17Å; Y761-L774 HydrophobicContact CE2-CG 4.28Å; K770-L774 PolarHBondContact O-N 2.83Å; Q771-L774 CarbonylContact O-C 3.57Å; Q771-L774 PolarHBondContact O-N 3.02Å; N772-L774 VanDerWaalsContact C-N 3.26Å; N772-L774 PolarHBondContact O-N 2.99Å; L774-N776 PolarHBondContact O-N 3.21Å; L774-I777 WeakPolarHBondContact O-CB 3.28Å; L774-I777 PolarHBondContact O-N 3.46Å; L774-I777 VanDerWaalsContact O-N 3.14Å; L774-M802 HydrophobicContact CD2-CG 4.44Å
775	E	75.7	Confident	79.8	Confident	80 Å²	80	72.9 Å²	72.9	37%	0.374	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	134.4	-177.5	-164.7	-179.8	-168.2	0	0	110	Q771 N772 I777 N798	Q771-E775 WeakPolarHBondContact O-CB 3.45Å; Q771-E775 PolarHBondContact O-N 3.12Å; N772-E775 WeakPolarHBondContact O-CB 3.42Å; N772-E775 PolarHBondContact O-N 3.06Å; E775-I777 PolarHBondContact O-N 3.17Å; E775-N798 PolarHBondContact OE2-ND2 2.98Å; E775-N798 VanDerWaalsContact OE2-ND2 3.08Å
776	N	73.6	Confident	79.9	Confident	128 Å²	128	74.1 Å²	74.1	68%	0.684	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	9.5	-177.6	-53	-39.2	0	0	0	115.4	L774 F783	L774-N776 PolarHBondContact O-N 3.21Å; N776-F783 VanDerWaalsContact O-CZ 3.32Å; N776-F783 WeakPolarHBondContact O-CZ 3.36Å
777	I	78.9	Confident	80.2	Confident	7 Å²	7	67.3 Å²	67.3	4%	0.036	32%	0.319	C	S	.	.			trans	-93.3	104.9	175.4	-56.5	-178.2	0	0	0	109.5	F645 I649 K653 L773 L774 E775 M802 L803	F645-I777 HydrophobicContact CE1-CG2 3.73Å; F645-I777 HydrophobicContact CZ-CD1 4.39Å; F645-I777 HydrophobicContact CZ-CG2 4.16Å; I649-I777 HydrophobicContact CD1-CG2 4.06Å; I649-I777 HydrophobicContact CG1-CG2 4.11Å; K653-I777 PolarHBondContact NZ-O 3.18Å; L773-I777 WeakPolarHBondContact O-CD1 3.26Å; L774-I777 WeakPolarHBondContact O-CB 3.28Å; L774-I777 PolarHBondContact O-N 3.46Å; L774-I777 VanDerWaalsContact O-N 3.14Å; E775-I777 PolarHBondContact O-N 3.17Å; I777-M802 HydrophobicContact CD1-CB 3.91Å; I777-L803 HydrophobicContact CD1-CD1 4.28Å; I777-L803 HydrophobicContact CD1-CG 4.01Å; I777-L803 HydrophobicContact CG1-CD1 4.15Å; I777-L803 HydrophobicContact CG1-CG 4.43Å
778	S	79.5	Confident	80.6	Confident	42 Å²	42	61.9 Å²	61.9	29%	0.294	30%	0.301	S	S	.	.			trans	-84.1	147.6	166.7	-168.3	0	0	0	0	110.7	D780 F783	S778-D780 VanDerWaalsContact C-N 3.3Å; S778-D780 WeakPolarHBondContact OG-CB 3.32Å; S778-D780 PolarHBondContact OG-N 2.91Å; S778-D780 VanDerWaalsContact OG-N 3.11Å; S778-F783 VanDerWaalsContact O-CD1 3.29Å; S778-F783 WeakPolarHBondContact O-CD1 3.28Å
779	Y	80	Confident	80.7	Confident	80 Å²	80	60.1 Å²	60.1	31%	0.314	30%	0.296	S	S	.	.			trans	-93	2.8	167.3	58.4	-99.8	0	0	0	112.2	I649 K650 K653 V655 D781	I649-Y779 HydrophobicContact CG2-CD1 4.17Å; K650-Y779 HydrophobicContact CD-CD2 4.18Å; K650-Y779 VanDerWaalsContact CE-CD2 3.48Å; K650-Y779 HydrophobicContact CG-CD1 4.37Å; K650-Y779 HydrophobicContact CG-CD2 3.61Å; K650-Y779 HydrophobicContact CG-CE2 4.26Å; K650-Y779 HydrophobicContact CG-CG 3.67Å; K653-Y779 HydrophobicContact CD-CD1 3.81Å; K653-Y779 HydrophobicContact CD-CE1 3.77Å; V655-Y779 HydrophobicContact CG2-CE1 4.38Å; Y779-D781 PolarHBondContact O-N 3.31Å
780	D	82.8	Confident	80.6	Confident	76 Å²	76	58.3 Å²	58.3	41%	0.406	29%	0.286	S	S	.	.			trans	-59.2	131.7	175.6	172.4	69.2	0	0	0	110.3	S778 H782 F783 L784	S778-D780 VanDerWaalsContact C-N 3.3Å; S778-D780 WeakPolarHBondContact OG-CB 3.32Å; S778-D780 PolarHBondContact OG-N 2.91Å; S778-D780 VanDerWaalsContact OG-N 3.11Å; D780-H782 PolarHBondContact O-N 2.98Å; D780-H782 WeakPolarHBondContact OD2-CA 3.25Å; D780-H782 VanDerWaalsContact OD2-CB 3.25Å; D780-H782 WeakPolarHBondContact OD2-CB 3.4Å; D780-H782 PolarHBondContact OD2-N 3.33Å; D780-H782 VanDerWaalsContact OD2-N 3.11Å; D780-F783 HydrophobicContact CB-CB 4.19Å; D780-F783 PolarHBondContact O-N 2.94Å; D780-F783 PolarHBondContact OD2-N 3.02Å; D780-L784 WeakPolarHBondContact O-CG 3.44Å; D780-L784 PolarHBondContact O-N 3.36Å
781	D	81.8	Confident	80.6	Confident	82 Å²	82	52.9 Å²	52.9	44%	0.439	26%	0.263	S	S	.	.	H	α-helix	trans	-68.1	-30.2	-172.3	-58.6	-24.8	0	0	0	110.8	K650 Y779 L784 R785	K650-D781 IonicContact NZ-OD1 2.72Å; Y779-D781 PolarHBondContact O-N 3.31Å; D781-L784 PolarHBondContact O-N 2.81Å; D781-R785 VanDerWaalsContact CB-NH1 3.29Å; D781-R785 WeakPolarHBondContact O-CB 3.4Å; D781-R785 VanDerWaalsContact O-CG 3.32Å; D781-R785 WeakPolarHBondContact O-CG 3.45Å; D781-R785 PolarHBondContact O-N 2.89Å
782	H	85.1	Confident	80.5	Confident	107 Å²	107	49.4 Å²	49.4	50%	0.495	25%	0.246	S	C	.	.	H	α-helix	trans	-67.9	-45.3	175	174	72.9	0	0	0	111.5	D780 L784 R785 M786	D780-H782 PolarHBondContact O-N 2.98Å; D780-H782 WeakPolarHBondContact OD2-CA 3.25Å; D780-H782 VanDerWaalsContact OD2-CB 3.25Å; D780-H782 WeakPolarHBondContact OD2-CB 3.4Å; D780-H782 PolarHBondContact OD2-N 3.33Å; D780-H782 VanDerWaalsContact OD2-N 3.11Å; H782-L784 VanDerWaalsContact C-N 3.35Å; H782-L784 PolarHBondContact O-N 3.19Å; H782-R785 PolarHBondContact O-N 2.73Å; H782-M786 WeakPolarHBondContact O-CB 3.32Å; H782-M786 WeakPolarHBondContact O-CG 3.45Å; H782-M786 PolarHBondContact O-N 2.89Å
783	F	86.6	Confident	80.2	Confident	43 Å²	43	49 Å²	49	19%	0.189	25%	0.249	C	C	.	.	H	α-helix	trans	-56	-47.3	172.5	172.4	-98.4	0	0	0	112.2	N776 S778 D780 R785 M786 L787 I794	N776-F783 VanDerWaalsContact O-CZ 3.32Å; N776-F783 WeakPolarHBondContact O-CZ 3.36Å; S778-F783 VanDerWaalsContact O-CD1 3.29Å; S778-F783 WeakPolarHBondContact O-CD1 3.28Å; D780-F783 HydrophobicContact CB-CB 4.19Å; D780-F783 PolarHBondContact O-N 2.94Å; D780-F783 PolarHBondContact OD2-N 3.02Å; F783-R785 PolarHBondContact O-N 3.18Å; F783-M786 PolarHBondContact O-N 2.87Å; F783-L787 HydrophobicContact CD1-CD1 4.02Å; F783-L787 HydrophobicContact CE1-CD1 3.43Å; F783-L787 VanDerWaalsContact CE1-CD1 3.43Å; F783-L787 HydrophobicContact CE1-CG 4.13Å; F783-L787 HydrophobicContact CZ-CD1 3.79Å; F783-L787 HydrophobicContact CZ-CD2 4.34Å; F783-L787 HydrophobicContact CZ-CG 4.11Å; F783-L787 PolarHBondContact O-N 2.89Å; F783-I794 HydrophobicContact CE2-CG2 3.93Å; F783-I794 HydrophobicContact CZ-CG2 4.47Å
784	L	85.3	Confident	79.7	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-64.6	-39.5	-179.6	-66.9	175.4	0	0	0	111.9	R642 F645 D780 D781 H782 L787 L815	R642-L784 HydrophobicContact CB-CB 4.39Å; R642-L784 WeakPolarHBondContact CD-O 3.26Å; R642-L784 HydrophobicContact CG-CB 4.32Å; F645-L784 HydrophobicContact CD1-CD2 4.07Å; F645-L784 HydrophobicContact CE1-CD2 4.47Å; D780-L784 WeakPolarHBondContact O-CG 3.44Å; D780-L784 PolarHBondContact O-N 3.36Å; D781-L784 PolarHBondContact O-N 2.81Å; H782-L784 VanDerWaalsContact C-N 3.35Å; H782-L784 PolarHBondContact O-N 3.19Å; L784-L787 HydrophobicContact CD2-CD1 4.23Å; L784-L787 WeakPolarHBondContact O-CB 3.14Å; L784-L787 PolarHBondContact O-N 2.84Å; L784-L815 HydrophobicContact CD2-CD1 4.48Å
785	R	85.8	Confident	79	Confident	40 Å²	40	52.6 Å²	52.6	15%	0.151	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-44.2	174.2	-75.3	-172	-65.3	-90.7	6	111.6	V504 D781 H782 F783 L787 S788 F789	V504-R785 PolarHBondContact O-NE 3.41Å; V504-R785 PolarHBondContact O-NH2 3.44Å; D781-R785 VanDerWaalsContact CB-NH1 3.29Å; D781-R785 WeakPolarHBondContact O-CB 3.4Å; D781-R785 VanDerWaalsContact O-CG 3.32Å; D781-R785 WeakPolarHBondContact O-CG 3.45Å; D781-R785 PolarHBondContact O-N 2.89Å; H782-R785 PolarHBondContact O-N 2.73Å; F783-R785 PolarHBondContact O-N 3.18Å; R785-L787 VanDerWaalsContact C-N 3.29Å; R785-L787 PolarHBondContact O-N 3.28Å; R785-S788 PolarHBondContact O-N 2.83Å; R785-F789 PolarHBondContact O-N 2.68Å
786	M	82.9	Confident	78.4	Confident	52 Å²	52	56 Å²	56	26%	0.256	28%	0.283	S	S	.	.	H	α-helix	trans	-60.2	-37.7	178.2	-79.2	-53	-36.7	0	0	112.8	H782 F783 S788 F789 D790 I794	H782-M786 WeakPolarHBondContact O-CB 3.32Å; H782-M786 WeakPolarHBondContact O-CG 3.45Å; H782-M786 PolarHBondContact O-N 2.89Å; F783-M786 PolarHBondContact O-N 2.87Å; M786-S788 PolarHBondContact O-N 2.87Å; M786-S788 VanDerWaalsContact O-N 3.12Å; M786-F789 HydrophobicContact CE-CB 4.4Å; M786-F789 HydrophobicContact CE-CD1 4.43Å; M786-F789 PolarHBondContact O-N 3.1Å; M786-F789 VanDerWaalsContact O-N 3.15Å; M786-D790 PolarHBondContact O-N 3.34Å; M786-I794 VanDerWaalsContact C-CD1 3.42Å; M786-I794 HydrophobicContact CB-CD1 3.74Å; M786-I794 WeakPolarHBondContact O-CD1 3.42Å
787	L	81.6	Confident	77.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57.6	-24.2	173.8	-81.1	174	0	0	0	114.2	F783 L784 R785 P791 I794 L795 L803 P814	F783-L787 HydrophobicContact CD1-CD1 4.02Å; F783-L787 HydrophobicContact CE1-CD1 3.43Å; F783-L787 VanDerWaalsContact CE1-CD1 3.43Å; F783-L787 HydrophobicContact CE1-CG 4.13Å; F783-L787 HydrophobicContact CZ-CD1 3.79Å; F783-L787 HydrophobicContact CZ-CD2 4.34Å; F783-L787 HydrophobicContact CZ-CG 4.11Å; F783-L787 PolarHBondContact O-N 2.89Å; L784-L787 HydrophobicContact CD2-CD1 4.23Å; L784-L787 WeakPolarHBondContact O-CB 3.14Å; L784-L787 PolarHBondContact O-N 2.84Å; R785-L787 VanDerWaalsContact C-N 3.29Å; R785-L787 PolarHBondContact O-N 3.28Å; L787-P791 WeakPolarHBondContact O-CA 3.21Å; L787-P791 VanDerWaalsContact O-CB 3.23Å; L787-P791 WeakPolarHBondContact O-CB 3.1Å; L787-I794 HydrophobicContact CD2-CB 4Å; L787-I794 HydrophobicContact CD2-CD1 4.43Å; L787-I794 HydrophobicContact CD2-CG2 3.49Å; L787-I794 VanDerWaalsContact CD2-CG2 3.49Å; L787-I794 HydrophobicContact CG-CG2 4.3Å; L787-L795 HydrophobicContact CD2-CD1 4.32Å; L787-L795 HydrophobicContact CD2-CD2 4.09Å; L787-L795 HydrophobicContact CD2-CG 4.04Å; L787-L803 HydrophobicContact CD1-CD1 3.82Å; L787-L803 HydrophobicContact CD1-CD2 4.45Å; L787-L803 HydrophobicContact CD2-CD1 4.32Å; L787-P814 HydrophobicContact CB-CG 4.13Å; L787-P814 WeakPolarHBondContact O-CG 3.33Å
788	S	78.2	Confident	76.7	Confident	17 Å²	17	62 Å²	62	12%	0.119	31%	0.309	C	S	.	.	H	α-helix	trans	-89.7	-27.3	-179.7	-54.4	0	0	0	0	112.4	R642 R785 M786	R642-S788 WeakPolarHBondContact CD-OG 3.32Å; R642-S788 VanDerWaalsContact NH1-CB 3.26Å; R642-S788 PolarHBondContact NH1-OG 3.06Å; R785-S788 PolarHBondContact O-N 2.83Å; M786-S788 PolarHBondContact O-N 2.87Å; M786-S788 VanDerWaalsContact O-N 3.12Å
789	F	79.7	Confident	76	Confident	48 Å²	48	66.7 Å²	66.7	21%	0.211	33%	0.331	C	S	.	.	H	α-helix	trans	-81.5	-50.9	175.8	-165.6	-104.5	0	0	0	110.3	E502 H576 N580 R785 M786 P791	E502-F789 HydrophobicContact CB-CD2 4.43Å; E502-F789 HydrophobicContact CB-CE2 4.22Å; H576-F789 AromaticContact CD2-CD2 3.79Å; H576-F789 AromaticContact CD2-CE2 3.76Å; H576-F789 PolarHBondContact CD2-O 3.49Å; H576-F789 VanDerWaalsContact CD2-O 3.24Å; H576-F789 AromaticContact CE1-CE1 3.71Å; H576-F789 AromaticContact CE1-CZ 3.65Å; H576-F789 AromaticContact NE2-CD1 3.72Å; H576-F789 AromaticContact NE2-CD2 3.72Å; H576-F789 AromaticContact NE2-CE1 3.71Å; H576-F789 AromaticContact NE2-CE2 3.72Å; H576-F789 AromaticContact NE2-CG 3.72Å; H576-F789 AromaticContact NE2-CZ 3.71Å; H576-F789 PolarHBondContact NE2-O 2.78Å; N580-F789 PolarHBondContact ND2-O 2.83Å; R785-F789 PolarHBondContact O-N 2.68Å; M786-F789 HydrophobicContact CE-CB 4.4Å; M786-F789 HydrophobicContact CE-CD1 4.43Å; M786-F789 PolarHBondContact O-N 3.1Å; M786-F789 VanDerWaalsContact O-N 3.15Å; F789-P791 WeakPolarHBondContact O-CD 3.42Å
790	D	78.7	Confident	75.5	Confident	53 Å²	53	65.5 Å²	65.5	28%	0.283	33%	0.329	S	S	.	.	S	Bend	trans	-131.1	71.7	-178.1	-172.6	3.8	0	0	0	111.8	M786 Q792 S793 I794	M786-D790 PolarHBondContact O-N 3.34Å; D790-Q792 PolarHBondContact O-N 3.08Å; D790-S793 WeakPolarHBondContact OD1-CB 3.3Å; D790-S793 PolarHBondContact OD1-N 3.03Å; D790-S793 PolarHBondContact OD1-OG 3.47Å; D790-S793 WeakPolarHBondContact OD2-CB 3.19Å; D790-S793 PolarHBondContact OD2-OG 2.85Å; D790-I794 VanDerWaalsContact O-CD1 3.23Å; D790-I794 WeakPolarHBondContact O-CD1 3.47Å; D790-I794 VanDerWaalsContact O-CG1 3.25Å; D790-I794 WeakPolarHBondContact O-CG1 3.4Å
791	P	78.9	Confident	75.4	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65	-38.2	-175.7	21.7	-30.2	0	0	0	112.9	L787 F789 I794 L795 W807 P814	L787-P791 WeakPolarHBondContact O-CA 3.21Å; L787-P791 VanDerWaalsContact O-CB 3.23Å; L787-P791 WeakPolarHBondContact O-CB 3.1Å; F789-P791 WeakPolarHBondContact O-CD 3.42Å; P791-I794 PolarHBondContact O-N 2.95Å; P791-L795 HydrophobicContact CB-CD1 4.38Å; P791-L795 VanDerWaalsContact O-CB 3.24Å; P791-L795 WeakPolarHBondContact O-CB 3.33Å; P791-L795 WeakPolarHBondContact O-CD1 3.36Å; P791-L795 VanDerWaalsContact O-CG 3.25Å; P791-L795 WeakPolarHBondContact O-CG 3.43Å; P791-L795 PolarHBondContact O-N 2.84Å; P791-W807 HydrophobicContact CB-CH2 3.81Å; P791-W807 HydrophobicContact CB-CZ3 3.94Å; P791-W807 HydrophobicContact CG-CH2 4.18Å; P791-P814 HydrophobicContact CB-CG 4.38Å
792	Q	74.5	Confident	75.5	Confident	79 Å²	79	58.5 Å²	58.5	37%	0.369	29%	0.292	S	S	.	.	H	α-helix	trans	-71.7	-38.5	-171.2	-67.9	-171.4	-0.4	0	0	112.2	N580 D790 I794	N580-Q792 PolarHBondContact O-NE2 2.95Å; D790-Q792 PolarHBondContact O-N 3.08Å; Q792-I794 VanDerWaalsContact C-N 3.32Å
793	S	74.6	Confident	75.6	Confident	59 Å²	59	53.5 Å²	53.5	41%	0.413	27%	0.269	S	S	.	.	H	α-helix	trans	-68.9	-33.9	177.5	78.3	0	0	0	0	112.2	D790	D790-S793 WeakPolarHBondContact OD1-CB 3.3Å; D790-S793 PolarHBondContact OD1-N 3.03Å; D790-S793 PolarHBondContact OD1-OG 3.47Å; D790-S793 WeakPolarHBondContact OD2-CB 3.19Å; D790-S793 PolarHBondContact OD2-OG 2.85Å
794	I	67.3	Low	75.5	Confident	58 Å²	58	54.2 Å²	54.2	30%	0.297	28%	0.275	S	S	.	.	H	α-helix	trans	-78.7	-33	-177.8	-61.2	169.1	0	0	0	111.1	F783 M786 L787 D790 P791 Q792 Q796	F783-I794 HydrophobicContact CE2-CG2 3.93Å; F783-I794 HydrophobicContact CZ-CG2 4.47Å; M786-I794 VanDerWaalsContact C-CD1 3.42Å; M786-I794 HydrophobicContact CB-CD1 3.74Å; M786-I794 WeakPolarHBondContact O-CD1 3.42Å; L787-I794 HydrophobicContact CD2-CB 4Å; L787-I794 HydrophobicContact CD2-CD1 4.43Å; L787-I794 HydrophobicContact CD2-CG2 3.49Å; L787-I794 VanDerWaalsContact CD2-CG2 3.49Å; L787-I794 HydrophobicContact CG-CG2 4.3Å; D790-I794 VanDerWaalsContact O-CD1 3.23Å; D790-I794 WeakPolarHBondContact O-CD1 3.47Å; D790-I794 VanDerWaalsContact O-CG1 3.25Å; D790-I794 WeakPolarHBondContact O-CG1 3.4Å; P791-I794 PolarHBondContact O-N 2.95Å; Q792-I794 VanDerWaalsContact C-N 3.32Å; I794-Q796 PolarHBondContact O-N 3.28Å
795	L	68	Low	75.5	Confident	50 Å²	50	57.4 Å²	57.4	26%	0.262	29%	0.287	S	S	.	.	S	Bend	trans	-96.6	72.6	-178.5	-62	168.2	0	0	0	110.9	L787 P791 L803 W807 P814	L787-L795 HydrophobicContact CD2-CD1 4.32Å; L787-L795 HydrophobicContact CD2-CD2 4.09Å; L787-L795 HydrophobicContact CD2-CG 4.04Å; P791-L795 HydrophobicContact CB-CD1 4.38Å; P791-L795 VanDerWaalsContact O-CB 3.24Å; P791-L795 WeakPolarHBondContact O-CB 3.33Å; P791-L795 WeakPolarHBondContact O-CD1 3.36Å; P791-L795 VanDerWaalsContact O-CG 3.25Å; P791-L795 WeakPolarHBondContact O-CG 3.43Å; P791-L795 PolarHBondContact O-N 2.84Å; L795-L803 HydrophobicContact CD2-CB 4.28Å; L795-L803 HydrophobicContact CD2-CD1 3.74Å; L795-W807 HydrophobicContact CD1-CE3 4.16Å; L795-W807 HydrophobicContact CD1-CZ3 3.54Å; L795-P814 HydrophobicContact CD1-CB 4.26Å
796	Q	62.4	Low	75.8	Confident	150 Å²	150	55.6 Å²	55.6	70%	0.701	28%	0.28	S	S	*	.			trans	-92.2	132	171	-70.4	-172.8	7.2	0	0	112.9	I794 N798	I794-Q796 PolarHBondContact O-N 3.28Å; Q796-N798 PolarHBondContact O-N 3.11Å; Q796-N798 VanDerWaalsContact O-N 3.11Å
797	Q	57.4	Low	76.2	Confident	195 Å²	195	55.6 Å²	55.6	91%	0.911	28%	0.278	S	S	*	.	S	Bend	trans	55.7	17.3	157.4	-65.5	-165.6	-3.5	0	0	121.4
798	N	59.5	Low	76.8	Confident	66 Å²	66	56.2 Å²	56.2	35%	0.353	28%	0.28	S	S	.	.			trans	-123.8	105.5	172.7	-131.5	-10.4	0	0	0	112.9	E775 Q796 I800 T801 N804	E775-N798 PolarHBondContact OE2-ND2 2.98Å; E775-N798 VanDerWaalsContact OE2-ND2 3.08Å; Q796-N798 PolarHBondContact O-N 3.11Å; Q796-N798 VanDerWaalsContact O-N 3.11Å; N798-I800 PolarHBondContact O-N 3.47Å; N798-T801 HydrophobicContact CB-CG2 4.13Å; N798-N804 PolarHBondContact O-ND2 3.23Å
799	N	64.6	Low	77.4	Confident	141 Å²	141	55.6 Å²	55.6	75%	0.754	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-9.1	-175.4	-78.4	-27.6	0	0	0	113.8	N804	N799-N804 WeakPolarHBondContact CA-ND2 3.4Å; N799-N804 PolarHBondContact O-ND2 3.05Å
800	I	69.6	Low	77.8	Confident	56 Å²	56	53.8 Å²	53.8	29%	0.287	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	32.7	-171.6	-38.7	179.3	0	0	0	111.8	Y768 L773 N798	Y768-I800 HydrophobicContact CD1-CD1 4.43Å; Y768-I800 HydrophobicContact CD1-CG2 3.54Å; Y768-I800 HydrophobicContact CD2-CG2 3.99Å; Y768-I800 HydrophobicContact CE1-CG2 4.04Å; Y768-I800 HydrophobicContact CE2-CG2 4.44Å; Y768-I800 HydrophobicContact CG-CG2 3.51Å; L773-I800 WeakPolarHBondContact CA-O 3.45Å; L773-I800 HydrophobicContact CD2-CG2 4.41Å; N798-I800 PolarHBondContact O-N 3.47Å
801	T	80.1	Confident	78.4	Confident	11 Å²	11	52.5 Å²	52.5	7%	0.067	26%	0.264	C	S	.	.	S	Bend	trans	-93.1	152.5	172.7	69.7	0	0	0	0	110.8	N798 L803 N804 Y805	N798-T801 HydrophobicContact CB-CG2 4.13Å; T801-L803 PolarHBondContact O-N 2.94Å; T801-N804 PolarHBondContact O-N 2.89Å; T801-N804 PolarHBondContact OG1-ND2 3.33Å; T801-Y805 WeakPolarHBondContact O-CD2 3.26Å
802	M	85.1	Confident	78.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-54.6	-33	171.7	-84.3	-69.1	-64.1	0	0	112.7	F645 F648 L757 M760 Y761 L764 L773 L774 I777 N804 Y805 T806	F645-M802 HydrophobicContact CZ-CB 4.48Å; F648-M802 HydrophobicContact CE1-CE 4.5Å; L757-M802 HydrophobicContact CD1-CE 3.42Å; L757-M802 VanDerWaalsContact CD1-CE 3.42Å; L757-M802 HydrophobicContact CG-CE 4.38Å; M760-M802 HydrophobicContact CE-CE 3.66Å; Y761-M802 HydrophobicContact CD2-CG 4.4Å; Y761-M802 HydrophobicContact CD2-SD 4.02Å; L764-M802 HydrophobicContact CD1-SD 3.58Å; L764-M802 VanDerWaalsContact CD1-SD 3.58Å; L773-M802 HydrophobicContact CB-CG 4.28Å; L773-M802 WeakPolarHBondContact O-CG 3.46Å; L773-M802 PolarHBondContact O-N 2.8Å; L774-M802 HydrophobicContact CD2-CG 4.44Å; I777-M802 HydrophobicContact CD1-CB 3.91Å; M802-N804 VanDerWaalsContact C-N 3.27Å; M802-N804 PolarHBondContact O-N 2.69Å; M802-Y805 PolarHBondContact O-N 2.65Å; M802-Y805 VanDerWaalsContact O-N 3.11Å; M802-T806 PolarHBondContact O-N 3.37Å
803	L	86.9	Confident	79.7	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-28.7	-178.2	-67.7	171.5	0	0	0	113	F645 I777 L787 L795 T801 Y805 T806 W807 P814 L815	F645-L803 HydrophobicContact CE1-CD2 4.02Å; F645-L803 HydrophobicContact CE2-CD2 4.32Å; F645-L803 HydrophobicContact CZ-CD2 3.78Å; F645-L803 HydrophobicContact CZ-CG 4.39Å; I777-L803 HydrophobicContact CD1-CD1 4.28Å; I777-L803 HydrophobicContact CD1-CG 4.01Å; I777-L803 HydrophobicContact CG1-CD1 4.15Å; I777-L803 HydrophobicContact CG1-CG 4.43Å; L787-L803 HydrophobicContact CD1-CD1 3.82Å; L787-L803 HydrophobicContact CD1-CD2 4.45Å; L787-L803 HydrophobicContact CD2-CD1 4.32Å; L795-L803 HydrophobicContact CD2-CB 4.28Å; L795-L803 HydrophobicContact CD2-CD1 3.74Å; T801-L803 PolarHBondContact O-N 2.94Å; L803-Y805 VanDerWaalsContact C-N 3.28Å; L803-Y805 PolarHBondContact O-N 2.82Å; L803-T806 WeakPolarHBondContact CA-OG1 3.34Å; L803-T806 PolarHBondContact O-N 2.97Å; L803-T806 PolarHBondContact O-OG1 3.4Å; L803-T806 VanDerWaalsContact O-OG1 3.08Å; L803-W807 PolarHBondContact O-N 3.09Å; L803-W807 VanDerWaalsContact O-N 3.14Å; L803-P814 HydrophobicContact CD2-CB 4.3Å; L803-L815 HydrophobicContact CD2-CD1 4.29Å; L803-L815 HydrophobicContact CD2-CD2 4.07Å; L803-L815 HydrophobicContact CD2-CG 4.1Å
804	N	83.6	Confident	80.5	Confident	58 Å²	58	46.3 Å²	46.3	31%	0.31	23%	0.228	S	C	.	.	H	α-helix	trans	-68.3	-29.6	175.3	-66.4	-24.4	0	0	0	112.5	N798 N799 T801 M802	N798-N804 PolarHBondContact O-ND2 3.23Å; N799-N804 WeakPolarHBondContact CA-ND2 3.4Å; N799-N804 PolarHBondContact O-ND2 3.05Å; T801-N804 PolarHBondContact O-N 2.89Å; T801-N804 PolarHBondContact OG1-ND2 3.33Å; M802-N804 VanDerWaalsContact C-N 3.27Å; M802-N804 PolarHBondContact O-N 2.69Å
805	Y	87.1	Confident	81.8	Confident	71 Å²	71	43.6 Å²	43.6	28%	0.278	22%	0.215	S	C	.	.	H	α-helix	trans	-86.5	-22.5	179.3	-66.1	-84.7	0	0	0	112.7	N681 L764 Y768 T801 M802 L803	N681-Y805 PolarHBondContact ND2-O 3.31Å; L764-Y805 HydrophobicContact CD1-CD1 4.24Å; L764-Y805 HydrophobicContact CD1-CD2 3.53Å; L764-Y805 HydrophobicContact CD1-CE2 4Å; L764-Y805 HydrophobicContact CD1-CG 3.67Å; L764-Y805 HydrophobicContact CD2-CD1 4.04Å; L764-Y805 HydrophobicContact CD2-CD2 4.09Å; L764-Y805 HydrophobicContact CD2-CE1 3.72Å; L764-Y805 HydrophobicContact CD2-CE2 3.77Å; L764-Y805 HydrophobicContact CD2-CG 4.21Å; L764-Y805 HydrophobicContact CG-CD2 4.48Å; Y768-Y805 VanDerWaalsContact CE2-OH 3.3Å; Y768-Y805 WeakPolarHBondContact CE2-OH 3.33Å; Y768-Y805 PolarHBondContact OH-OH 3.02Å; T801-Y805 WeakPolarHBondContact O-CD2 3.26Å; M802-Y805 PolarHBondContact O-N 2.65Å; M802-Y805 VanDerWaalsContact O-N 3.11Å; L803-Y805 VanDerWaalsContact C-N 3.28Å; L803-Y805 PolarHBondContact O-N 2.82Å
806	T	91.8	Very high	83.2	Confident	1 Å²	1	42 Å²	42	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-84.9	-10.8	172	59.9	0	0	0	0	113.2	F645 L679 F755 L757 M760 M802 L803 P814 L815	F645-T806 HydrophobicContact CD2-CG2 4.49Å; F645-T806 HydrophobicContact CE2-CG2 4.2Å; L679-T806 HydrophobicContact CD1-CG2 4.23Å; F755-T806 HydrophobicContact CE2-CG2 4.18Å; F755-T806 HydrophobicContact CZ-CG2 3.84Å; L757-T806 HydrophobicContact CD1-CG2 3.96Å; M760-T806 HydrophobicContact CE-CG2 3.49Å; M760-T806 VanDerWaalsContact CE-CG2 3.49Å; M802-T806 PolarHBondContact O-N 3.37Å; L803-T806 WeakPolarHBondContact CA-OG1 3.34Å; L803-T806 PolarHBondContact O-N 2.97Å; L803-T806 PolarHBondContact O-OG1 3.4Å; L803-T806 VanDerWaalsContact O-OG1 3.08Å; T806-P814 CarbonylContact C-O 3.51Å; T806-P814 VanDerWaalsContact CB-O 3.26Å; T806-P814 WeakPolarHBondContact CB-O 3.45Å; T806-P814 VanDerWaalsContact O-O 3.13Å; T806-P814 PolarHBondContact OG1-O 3.21Å; T806-L815 HydrophobicContact CG2-CD2 4.07Å
807	W	90.9	Very high	84.9	Confident	52 Å²	52	34.9 Å²	34.9	20%	0.197	17%	0.172	C	C	.	.			trans	-55.5	136.3	-173.7	-169.4	-92	0	0	0	113.9	N681 H682 P791 L795 L803 P814	N681-W807 WeakPolarHBondContact CB-O 3.42Å; H682-W807 PolarHBondContact N-O 3.37Å; P791-W807 HydrophobicContact CB-CH2 3.81Å; P791-W807 HydrophobicContact CB-CZ3 3.94Å; P791-W807 HydrophobicContact CG-CH2 4.18Å; L795-W807 HydrophobicContact CD1-CE3 4.16Å; L795-W807 HydrophobicContact CD1-CZ3 3.54Å; L803-W807 PolarHBondContact O-N 3.09Å; L803-W807 VanDerWaalsContact O-N 3.14Å; W807-P814 HydrophobicContact CE3-CB 3.86Å; W807-P814 HydrophobicContact CZ3-CB 3.93Å; W807-P814 HydrophobicContact CZ3-CG 4.47Å
808	H	93.3	Very high	86.9	Confident	13 Å²	13	25.9 Å²	25.9	6%	0.06	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-104.8	89.2	174.9	-166.1	-68.6	0	0	0	110.7	H682 G810 L811 S812 I813 Y816	H682-H808 HydrophobicContact CB-CB 4.43Å; H808-G810 PolarHBondContact O-N 2.82Å; H808-L811 HydrophobicContact CB-CB 4.46Å; H808-L811 WeakPolarHBondContact ND1-CB 3.39Å; H808-L811 WeakPolarHBondContact ND1-CG 3.43Å; H808-L811 PolarHBondContact ND1-N 2.81Å; H808-L811 CarbonylContact O-C 3.54Å; H808-L811 PolarHBondContact O-N 2.72Å; H808-S812 PolarHBondContact O-N 3.14Å; H808-I813 HydrophobicContact CB-CG1 3.93Å; H808-I813 PolarHBondContact N-O 2.83Å; H808-Y816 AromaticContact CD2-CD1 3.82Å
809	Y	91.1	Very high	88.7	Confident	4 Å²	4	22.7 Å²	22.7	2%	0.016	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-45.6	-52.4	-173.9	-177.2	-94.2	0	0	0	113.8	H682 K684 P685 P706 N708 S709 L712 L749 L811 S812	H682-Y809 WeakPolarHBondContact O-CB 3.37Å; H682-Y809 PolarHBondContact O-N 3.43Å; K684-Y809 HydrophobicContact CB-CD2 4.11Å; K684-Y809 HydrophobicContact CG-CD2 4.2Å; K684-Y809 HydrophobicContact CG-CE2 4.1Å; P685-Y809 HydrophobicContact CG-CE1 4.14Å; P685-Y809 HydrophobicContact CG-CE2 4.41Å; P706-Y809 PolarHBondContact O-OH 2.79Å; N708-Y809 PolarHBondContact O-OH 3.3Å; S709-Y809 VanDerWaalsContact CB-O 3.26Å; S709-Y809 WeakPolarHBondContact CB-O 3.36Å; S709-Y809 PolarHBondContact OG-O 3.15Å; L712-Y809 HydrophobicContact CD2-CE1 3.96Å; L712-Y809 VanDerWaalsContact CD2-OH 3.22Å; L712-Y809 WeakPolarHBondContact CD2-OH 3.23Å; L749-Y809 HydrophobicContact CD2-CD1 4.28Å; L749-Y809 HydrophobicContact CD2-CE1 3.81Å; Y809-L811 VanDerWaalsContact C-N 3.29Å; Y809-L811 PolarHBondContact O-N 3.49Å; Y809-S812 PolarHBondContact O-N 2.78Å
810	G	89.1	Confident	90.3	Very high	11 Å²	11	16.2 Å²	16.2	11%	0.113	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-67.3	-25.9	-176.4	0	0	0	0	0	114.8	V583 H682 H808	V583-G810 PolarHBondContact N-O 2.86Å; H682-G810 PolarHBondContact ND1-N 2.8Å; H808-G810 PolarHBondContact O-N 2.82Å
811	L	90.7	Very high	91.7	Very high	26 Å²	26	13.7 Å²	13.7	14%	0.136	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-98.2	-8.1	178.6	-70.6	175.1	0	0	0	112	I634 H808 Y809 I813 Y816	I634-L811 HydrophobicContact CD1-CD2 4.13Å; H808-L811 HydrophobicContact CB-CB 4.46Å; H808-L811 WeakPolarHBondContact ND1-CB 3.39Å; H808-L811 WeakPolarHBondContact ND1-CG 3.43Å; H808-L811 PolarHBondContact ND1-N 2.81Å; H808-L811 CarbonylContact O-C 3.54Å; H808-L811 PolarHBondContact O-N 2.72Å; Y809-L811 VanDerWaalsContact C-N 3.29Å; Y809-L811 PolarHBondContact O-N 3.49Å; L811-I813 VanDerWaalsContact C-N 3.32Å; L811-I813 HydrophobicContact CB-CD1 3.69Å; L811-I813 HydrophobicContact CB-CG1 3.72Å; L811-I813 HydrophobicContact CD1-CD1 3.77Å; L811-I813 HydrophobicContact CG-CD1 4.38Å; L811-I813 PolarHBondContact O-N 3.41Å; L811-Y816 HydrophobicContact CD1-CD1 4.22Å; L811-Y816 HydrophobicContact CD1-CD2 3.96Å; L811-Y816 HydrophobicContact CD1-CE1 4.08Å; L811-Y816 HydrophobicContact CD1-CE2 3.78Å; L811-Y816 HydrophobicContact CD1-CG 4.17Å
812	S	90.1	Very high	92.6	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.007	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	45.3	-175.1	-153.5	0	0	0	0	113.8	N580 S709 H808 Y809	N580-S812 VanDerWaalsContact O-CB 3.29Å; N580-S812 WeakPolarHBondContact O-CB 3.25Å; N580-S812 PolarHBondContact O-OG 3.14Å; S709-S812 PolarHBondContact OG-OG 3.05Å; H808-S812 PolarHBondContact O-N 3.14Å; Y809-S812 PolarHBondContact O-N 2.78Å
813	I	91.1	Very high	93.2	Very high	6 Å²	6	13.2 Å²	13.2	3%	0.031	6%	0.063	C	C	.	.	B	Isolated β-bridge	trans	-132.7	148.7	-178.8	59	-176.5	0	0	0	111.6	Q638 H808 L811 Y816	Q638-I813 HydrophobicContact CG-CD1 3.76Å; Q638-I813 VanDerWaalsContact NE2-CD1 3.31Å; H808-I813 HydrophobicContact CB-CG1 3.93Å; H808-I813 PolarHBondContact N-O 2.83Å; L811-I813 VanDerWaalsContact C-N 3.32Å; L811-I813 HydrophobicContact CB-CD1 3.69Å; L811-I813 HydrophobicContact CB-CG1 3.72Å; L811-I813 HydrophobicContact CD1-CD1 3.77Å; L811-I813 HydrophobicContact CG-CD1 4.38Å; L811-I813 PolarHBondContact O-N 3.41Å; I813-Y816 HydrophobicContact CD1-CD2 3.52Å; I813-Y816 HydrophobicContact CD1-CE2 4.33Å; I813-Y816 HydrophobicContact CD1-CG 4Å
814	P	91.3	Very high	93.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-80.8	-27.3	-173.5	28.8	-33.4	0	0	0	113.9	L787 P791 L795 L803 T806 W807	L787-P814 HydrophobicContact CB-CG 4.13Å; L787-P814 WeakPolarHBondContact O-CG 3.33Å; P791-P814 HydrophobicContact CB-CG 4.38Å; L795-P814 HydrophobicContact CD1-CB 4.26Å; L803-P814 HydrophobicContact CD2-CB 4.3Å; T806-P814 CarbonylContact C-O 3.51Å; T806-P814 VanDerWaalsContact CB-O 3.26Å; T806-P814 WeakPolarHBondContact CB-O 3.45Å; T806-P814 VanDerWaalsContact O-O 3.13Å; T806-P814 PolarHBondContact OG1-O 3.21Å; W807-P814 HydrophobicContact CE3-CB 3.86Å; W807-P814 HydrophobicContact CZ3-CB 3.93Å; W807-P814 HydrophobicContact CZ3-CG 4.47Å
815	L	94.9	Very high	94.3	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	7%	0.067	C	C	.	.			trans	-135.8	127.1	-174.8	-65.2	172.4	0	0	0	110	A641 R642 F645 L679 L784 L803 T806	A641-L815 HydrophobicContact CB-CB 4.01Å; R642-L815 HydrophobicContact CG-CD1 4.21Å; F645-L815 HydrophobicContact CB-CD1 3.82Å; F645-L815 HydrophobicContact CB-CD2 4Å; F645-L815 HydrophobicContact CD1-CD1 3.85Å; F645-L815 HydrophobicContact CD1-CD2 4.35Å; F645-L815 HydrophobicContact CD2-CD1 4.39Å; F645-L815 HydrophobicContact CD2-CD2 3.44Å; F645-L815 VanDerWaalsContact CD2-CD2 3.44Å; F645-L815 HydrophobicContact CE2-CD2 3.95Å; F645-L815 HydrophobicContact CG-CD1 3.77Å; F645-L815 HydrophobicContact CG-CD2 3.68Å; F645-L815 HydrophobicContact CG-CG 4.41Å; L679-L815 HydrophobicContact CD1-CD2 4.15Å; L784-L815 HydrophobicContact CD2-CD1 4.48Å; L803-L815 HydrophobicContact CD2-CD1 4.29Å; L803-L815 HydrophobicContact CD2-CD2 4.07Å; L803-L815 HydrophobicContact CD2-CG 4.1Å; T806-L815 HydrophobicContact CG2-CD2 4.07Å
816	Y	97.2	Very high	94.8	Very high	17 Å²	17	12.7 Å²	12.7	7%	0.067	6%	0.056	C	C	.	.			trans	-149.9	151.4	178	-166.2	-108.2	0	0	0	110.9	I634 N637 Q638 R680 H808 L811 I813 H818	I634-Y816 HydrophobicContact CG2-CE2 4.41Å; N637-Y816 HydrophobicContact CB-CD2 4.08Å; N637-Y816 HydrophobicContact CB-CE2 3.46Å; N637-Y816 VanDerWaalsContact CB-CE2 3.46Å; N637-Y816 PolarHBondContact ND2-OH 2.69Å; Q638-Y816 HydrophobicContact CG-CD2 4.07Å; R680-Y816 HydrophobicContact CB-CD1 4.35Å; R680-Y816 PolarHBondContact N-O 3.23Å; H808-Y816 AromaticContact CD2-CD1 3.82Å; L811-Y816 HydrophobicContact CD1-CD1 4.22Å; L811-Y816 HydrophobicContact CD1-CD2 3.96Å; L811-Y816 HydrophobicContact CD1-CE1 4.08Å; L811-Y816 HydrophobicContact CD1-CE2 3.78Å; L811-Y816 HydrophobicContact CD1-CG 4.17Å; I813-Y816 HydrophobicContact CD1-CD2 3.52Å; I813-Y816 HydrophobicContact CD1-CE2 4.33Å; I813-Y816 HydrophobicContact CD1-CG 4Å; Y816-H818 AromaticContact CE1-CD2 3.63Å; Y816-H818 AromaticContact CE1-NE2 3.74Å
817	T	98.1	Very high	95.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.057	C	C	.	.			trans	-149.3	-177.4	170.6	-164	0	0	0	0	109.6	N637 V640 A641 T678 V831	N637-T817 VanDerWaalsContact CB-O 3.28Å; N637-T817 WeakPolarHBondContact CB-O 3.25Å; N637-T817 PolarHBondContact OD1-O 2.86Å; V640-T817 HydrophobicContact CB-CG2 4.19Å; V640-T817 HydrophobicContact CG1-CG2 3.74Å; A641-T817 HydrophobicContact CB-CG2 4.12Å; T678-T817 PolarHBondContact O-OG1 3.4Å; T817-V831 HydrophobicContact CG2-CG1 4.27Å
818	H	98.5	Very high	95.4	Very high	6 Å²	6	10.3 Å²	10.3	3%	0.028	5%	0.047	C	C	.	.			trans	-114.2	131	165.1	-71.2	164.1	0	0	0	109.7	N637 R680 Y754 Y816 R825 D828	N637-H818 WeakPolarHBondContact OD1-CA 3.49Å; R680-H818 VanDerWaalsContact CZ-CE1 3.44Å; R680-H818 PolarHBondContact NH1-CE1 3.32Å; R680-H818 PolarHBondContact NH1-NE2 3.06Å; Y754-H818 HydrophobicContact CE1-CB 4.11Å; Y754-H818 AromaticContact CE1-ND1 3.69Å; Y754-H818 AromaticContact CZ-ND1 3.49Å; Y754-H818 PolarHBondContact OH-ND1 2.82Å; Y816-H818 AromaticContact CE1-CD2 3.63Å; Y816-H818 AromaticContact CE1-NE2 3.74Å; H818-R825 PolarHBondContact ND1-NH1 2.95Å; H818-D828 VanDerWaalsContact CB-OD2 3.31Å; H818-D828 WeakPolarHBondContact CB-OD2 3.39Å; H818-D828 WeakPolarHBondContact O-CA 3.47Å
819	F	98.4	Very high	95.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.045	C	C	.	.			trans	-137.4	-26.7	-178.8	169.2	-103.1	0	0	0	112.1	I437 F491 I493 N637 V640 S821 D828 V831 H832 I835	I437-F819 HydrophobicContact CB-CE1 4.04Å; I437-F819 HydrophobicContact CB-CZ 4.38Å; I437-F819 HydrophobicContact CG1-CD1 3.88Å; I437-F819 HydrophobicContact CG1-CE1 3.43Å; I437-F819 VanDerWaalsContact CG1-CE1 3.43Å; I437-F819 HydrophobicContact CG1-CZ 4.25Å; F491-F819 HydrophobicContact CB-CE2 4.47Å; F491-F819 HydrophobicContact CB-CZ 4.01Å; F491-F819 HydrophobicContact CD1-CE2 4.35Å; F491-F819 AromaticContact CD1-CZ 3.95Å; F491-F819 HydrophobicContact CD1-CZ 3.95Å; F491-F819 HydrophobicContact CD2-CE2 4.36Å; F491-F819 HydrophobicContact CG-CE2 4.14Å; F491-F819 AromaticContact CG-CZ 3.93Å; F491-F819 HydrophobicContact CG-CZ 3.93Å; I493-F819 HydrophobicContact CD1-CD1 4Å; I493-F819 HydrophobicContact CD1-CE1 3.72Å; I493-F819 HydrophobicContact CG1-CE1 4Å; N637-F819 WeakPolarHBondContact OD1-CB 3.29Å; N637-F819 PolarHBondContact OD1-N 3.46Å; V640-F819 HydrophobicContact CB-CB 4.32Å; V640-F819 HydrophobicContact CB-CG 4.41Å; V640-F819 HydrophobicContact CG1-CB 4.25Å; V640-F819 HydrophobicContact CG1-CD2 4.36Å; V640-F819 HydrophobicContact CG1-CG 4.4Å; V640-F819 HydrophobicContact CG2-CB 4.12Å; V640-F819 HydrophobicContact CG2-CD1 3.81Å; V640-F819 HydrophobicContact CG2-CD2 4.01Å; V640-F819 HydrophobicContact CG2-CE1 4.2Å; V640-F819 HydrophobicContact CG2-CE2 4.38Å; V640-F819 HydrophobicContact CG2-CG 3.71Å; V640-F819 HydrophobicContact CG2-CZ 4.47Å; F819-S821 PolarHBondContact O-N 2.85Å; F819-D828 WeakPolarHBondContact CA-OD1 3.49Å; F819-D828 PolarHBondContact N-OD1 3.07Å; F819-V831 HydrophobicContact CB-CG1 4.21Å; F819-V831 HydrophobicContact CD2-CG1 4.02Å; F819-H832 AromaticContact CD2-CD2 3.22Å; F819-H832 WeakPolarHBondContact CD2-CD2 3.42Å; F819-H832 AromaticContact CD2-NE2 3.37Å; F819-H832 WeakPolarHBondContact CD2-NE2 3.26Å; F819-H832 AromaticContact CE2-CD2 3.24Å; F819-H832 WeakPolarHBondContact CE2-CD2 3.27Å; F819-H832 AromaticContact CE2-CE1 3.86Å; F819-H832 AromaticContact CE2-CG 3.92Å; F819-H832 AromaticContact CE2-NE2 3.2Å; F819-H832 WeakPolarHBondContact CE2-NE2 3.47Å; F819-H832 AromaticContact CZ-NE2 3.73Å; F819-H832 PolarHBondContact O-NE2 3.13Å; F819-I835 HydrophobicContact CD2-CD1 3.74Å; F819-I835 HydrophobicContact CE2-CD1 3.63Å
820	T	98.5	Very high	95.6	Very high	5 Å²	5	10.2 Å²	10.2	3%	0.031	5%	0.047	C	C	.	.	S	Bend	trans	-87.3	7.7	-164.1	60.8	0	0	0	0	115.8	I437 M633 A636 N637 D828	I437-T820 HydrophobicContact CD1-CG2 3.93Å; I437-T820 HydrophobicContact CG1-CG2 4.4Å; M633-T820 HydrophobicContact CB-CG2 4.31Å; M633-T820 WeakPolarHBondContact SD-CB 3.32Å; M633-T820 HydrophobicContact SD-CG2 3.57Å; M633-T820 VanDerWaalsContact SD-CG2 3.57Å; A636-T820 HydrophobicContact CB-CG2 3.64Å; N637-T820 PolarHBondContact ND2-OG1 2.85Å; N637-T820 PolarHBondContact OD1-N 2.84Å; T820-D828 PolarHBondContact N-OD1 2.9Å; T820-D828 VanDerWaalsContact N-OD1 3.08Å
821	S	98.2	Very high	95.9	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.014	4%	0.042	C	C	.	.			trans	-146.5	57.6	177.6	-52.5	0	0	0	0	115	D418 F819 I823 R824 R825 D828	D418-S821 VanDerWaalsContact OD1-C 3.26Å; D418-S821 WeakPolarHBondContact OD1-CA 3.48Å; D418-S821 WeakPolarHBondContact OD2-CA 3.3Å; D418-S821 VanDerWaalsContact OD2-CB 3.29Å; D418-S821 WeakPolarHBondContact OD2-CB 3.42Å; F819-S821 PolarHBondContact O-N 2.85Å; S821-I823 PolarHBondContact O-N 2.87Å; S821-R824 VanDerWaalsContact CB-NE 3.33Å; S821-R824 PolarHBondContact O-N 2.92Å; S821-R824 PolarHBondContact OG-NE 3.48Å; S821-R824 PolarHBondContact OG-NH2 3.28Å; S821-R825 WeakPolarHBondContact O-CB 3.2Å; S821-R825 PolarHBondContact O-N 3.06Å; S821-R825 PolarHBondContact OG-NH2 2.84Å; S821-D828 PolarHBondContact N-OD1 3.44Å
822	P	98.3	Very high	96.1	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.2	-176.2	33.4	-39.1	0	0	0	114.4	D418 I437 A438 V440 M470 R824 D828	D418-P822 WeakPolarHBondContact OD1-CD 3.12Å; I437-P822 VanDerWaalsContact CG2-CD 3.43Å; I437-P822 HydrophobicContact CG2-CG 3.83Å; A438-P822 HydrophobicContact CB-CG 4.46Å; A438-P822 WeakPolarHBondContact O-CG 3.24Å; V440-P822 HydrophobicContact CB-CB 3.95Å; V440-P822 HydrophobicContact CB-CG 4.25Å; V440-P822 HydrophobicContact CG2-CB 3.84Å; V440-P822 HydrophobicContact CG2-CG 3.76Å; M470-P822 VanDerWaalsContact CE-O 3.24Å; M470-P822 WeakPolarHBondContact CE-O 3.45Å; P822-R824 VanDerWaalsContact C-N 3.28Å; P822-R824 PolarHBondContact O-N 3.23Å; P822-D828 HydrophobicContact CB-CB 4.04Å
823	I	98.1	Very high	96.2	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-33.6	175.2	-64.8	171.1	0	0	0	111	D416 D418 A438 V440 M470 S476 C480 S821	D416-I823 HydrophobicContact CB-CG2 3.95Å; D418-I823 WeakPolarHBondContact OD1-CB 3.29Å; D418-I823 WeakPolarHBondContact OD1-CG1 3.45Å; D418-I823 PolarHBondContact OD1-N 3.32Å; A438-I823 HydrophobicContact CB-CD1 3.9Å; A438-I823 HydrophobicContact CB-CG1 4.08Å; V440-I823 HydrophobicContact CG2-CB 4.5Å; V440-I823 HydrophobicContact CG2-CG1 3.7Å; M470-I823 WeakPolarHBondContact CE-O 3.43Å; S476-I823 VanDerWaalsContact CB-CG2 3.4Å; C480-I823 HydrophobicContact CB-CD1 4.1Å; C480-I823 HydrophobicContact CB-CG1 3.97Å; S821-I823 PolarHBondContact O-N 2.87Å
824	R	96.6	Very high	96.2	Very high	85 Å²	85	9.4 Å²	9.4	32%	0.321	4%	0.039	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-1.5	-170.9	59.6	-176.9	176.7	145.6	3.8	114.5	D418 T459 S460 Y462 S821 P822	D418-R824 WeakPolarHBondContact OD2-CG 3.05Å; D418-R824 IonicContact OD2-NE 3.46Å; D418-R824 PolarHBondContact OD2-NE 3.09Å; T459-R824 CarbonylContact C-O 3.56Å; T459-R824 WeakPolarHBondContact CA-O 3.42Å; T459-R824 PolarHBondContact OG1-O 3.16Å; S460-R824 PolarHBondContact N-O 3.4Å; S460-R824 WeakPolarHBondContact OG-CB 3.49Å; Y462-R824 WeakPolarHBondContact OH-CD 3.3Å; S821-R824 VanDerWaalsContact CB-NE 3.33Å; S821-R824 PolarHBondContact O-N 2.92Å; S821-R824 PolarHBondContact OG-NE 3.48Å; S821-R824 PolarHBondContact OG-NH2 3.28Å; P822-R824 VanDerWaalsContact C-N 3.28Å; P822-R824 PolarHBondContact O-N 3.23Å
825	R	97.5	Very high	96.3	Very high	27 Å²	27	9.4 Å²	9.4	10%	0.102	4%	0.039	C	C	.	.	B	Isolated β-bridge	trans	-140.5	122.9	178	-63.8	-173.4	-56.9	-150	-6.7	111.7	H818 S821 A827 D828 L829	H818-R825 PolarHBondContact ND1-NH1 2.95Å; S821-R825 WeakPolarHBondContact O-CB 3.2Å; S821-R825 PolarHBondContact O-N 3.06Å; S821-R825 PolarHBondContact OG-NH2 2.84Å; R825-A827 VanDerWaalsContact C-N 3.35Å; R825-A827 PolarHBondContact O-N 3.04Å; R825-D828 HydrophobicContact CB-CB 4.42Å; R825-D828 WeakPolarHBondContact CB-OD2 3.44Å; R825-D828 IonicContact CZ-OD1 3.59Å; R825-D828 IonicContact CZ-OD2 2.87Å; R825-D828 IonicContact NE-OD1 3.84Å; R825-D828 PolarHBondContact NE-OD1 2.85Å; R825-D828 IonicContact NE-OD2 3.86Å; R825-D828 PolarHBondContact NE-OD2 2.99Å; R825-D828 IonicContact NH2-OD1 3.1Å; R825-D828 PolarHBondContact NH2-OD1 3.19Å; R825-D828 IonicContact NH2-OD2 3.2Å; R825-D828 WeakPolarHBondContact O-CB 3.48Å; R825-D828 PolarHBondContact O-N 2.83Å; R825-L829 PolarHBondContact O-N 2.7Å
826	Y	97.7	Very high	96	Very high	9 Å²	9	9.4 Å²	9.4	4%	0.035	4%	0.039	C	C	.	.	H	α-helix	trans	-70	-30.9	-179.8	-171.5	-100.5	0	0	0	112.7	D451 A454 A455 T458 M470 D828 L829 M830 R833 L872	D451-Y826 WeakPolarHBondContact OD1-CE2 3.22Å; D451-Y826 PolarHBondContact OD1-OH 2.96Å; A454-Y826 HydrophobicContact CB-CD2 3.88Å; A454-Y826 HydrophobicContact CB-CE2 4.18Å; A455-Y826 HydrophobicContact CB-CD1 4.19Å; A455-Y826 HydrophobicContact CB-CD2 4.23Å; A455-Y826 HydrophobicContact CB-CE1 3.74Å; A455-Y826 HydrophobicContact CB-CE2 3.79Å; A455-Y826 HydrophobicContact CB-CG 4.42Å; T458-Y826 WeakPolarHBondContact O-CB 3.48Å; T458-Y826 PolarHBondContact O-N 2.75Å; M470-Y826 PolarHBondContact SD-N 3.37Å; Y826-D828 VanDerWaalsContact C-N 3.25Å; Y826-D828 PolarHBondContact O-N 2.92Å; Y826-L829 HydrophobicContact CD2-CD2 3.98Å; Y826-L829 HydrophobicContact CE2-CD2 3.93Å; Y826-L829 WeakPolarHBondContact O-CB 3.4Å; Y826-L829 PolarHBondContact O-N 2.93Å; Y826-L829 VanDerWaalsContact O-N 3.09Å; Y826-M830 HydrophobicContact CD1-CG 3.88Å; Y826-M830 HydrophobicContact CD1-SD 3.87Å; Y826-M830 HydrophobicContact CE1-CG 3.58Å; Y826-M830 HydrophobicContact CE1-SD 3.74Å; Y826-M830 WeakPolarHBondContact O-CG 3.34Å; Y826-M830 PolarHBondContact O-N 3.35Å; Y826-R833 PolarHBondContact OH-NH1 3.29Å; Y826-L872 HydrophobicContact CE1-CD2 4.17Å
827	A	96.4	Very high	95.5	Very high	3 Å²	3	10.3 Å²	10.3	3%	0.025	4%	0.042	C	C	.	.	H	α-helix	trans	-58.8	-39.2	175.3	0	0	0	0	0	111.8	Y754 R825 M830 V831	Y754-A827 HydrophobicContact CD1-CB 4.04Å; Y754-A827 HydrophobicContact CD2-CB 4.47Å; Y754-A827 HydrophobicContact CE1-CB 3.44Å; Y754-A827 VanDerWaalsContact CE1-CB 3.44Å; Y754-A827 HydrophobicContact CE2-CB 3.96Å; Y754-A827 HydrophobicContact CG-CB 4.49Å; Y754-A827 WeakPolarHBondContact OH-CB 3.48Å; R825-A827 VanDerWaalsContact C-N 3.35Å; R825-A827 PolarHBondContact O-N 3.04Å; A827-M830 WeakPolarHBondContact O-CB 3.33Å; A827-M830 PolarHBondContact O-N 2.81Å; A827-V831 WeakPolarHBondContact O-CG2 3.41Å; A827-V831 PolarHBondContact O-N 2.83Å
828	D	98.3	Very high	94.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-65.1	-41.4	175.1	-58.4	-130.3	0	0	0	110.8	H818 F819 T820 S821 P822 R825 Y826 M830 V831 H832	H818-D828 VanDerWaalsContact CB-OD2 3.31Å; H818-D828 WeakPolarHBondContact CB-OD2 3.39Å; H818-D828 WeakPolarHBondContact O-CA 3.47Å; F819-D828 WeakPolarHBondContact CA-OD1 3.49Å; F819-D828 PolarHBondContact N-OD1 3.07Å; T820-D828 PolarHBondContact N-OD1 2.9Å; T820-D828 VanDerWaalsContact N-OD1 3.08Å; S821-D828 PolarHBondContact N-OD1 3.44Å; P822-D828 HydrophobicContact CB-CB 4.04Å; R825-D828 HydrophobicContact CB-CB 4.42Å; R825-D828 WeakPolarHBondContact CB-OD2 3.44Å; R825-D828 IonicContact CZ-OD1 3.59Å; R825-D828 IonicContact CZ-OD2 2.87Å; R825-D828 IonicContact NE-OD1 3.84Å; R825-D828 PolarHBondContact NE-OD1 2.85Å; R825-D828 IonicContact NE-OD2 3.86Å; R825-D828 PolarHBondContact NE-OD2 2.99Å; R825-D828 IonicContact NH2-OD1 3.1Å; R825-D828 PolarHBondContact NH2-OD1 3.19Å; R825-D828 IonicContact NH2-OD2 3.2Å; R825-D828 WeakPolarHBondContact O-CB 3.48Å; R825-D828 PolarHBondContact O-N 2.83Å; Y826-D828 VanDerWaalsContact C-N 3.25Å; Y826-D828 PolarHBondContact O-N 2.92Å; D828-M830 VanDerWaalsContact C-N 3.33Å; D828-M830 PolarHBondContact O-N 3.15Å; D828-V831 PolarHBondContact O-N 3.23Å; D828-H832 PolarHBondContact O-CD2 3.23Å; D828-H832 PolarHBondContact O-N 2.91Å
829	L	95.5	Very high	94.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.7	-38.5	174.3	179.6	58.5	0	0	0	112.4	V440 V444 R825 Y826 H832 R833	V440-L829 HydrophobicContact CB-CD1 4.32Å; V440-L829 HydrophobicContact CG1-CD1 4.03Å; V440-L829 HydrophobicContact CG1-CD2 4.37Å; V444-L829 HydrophobicContact CB-CD2 4.12Å; V444-L829 HydrophobicContact CG1-CD2 3.99Å; R825-L829 PolarHBondContact O-N 2.7Å; Y826-L829 HydrophobicContact CD2-CD2 3.98Å; Y826-L829 HydrophobicContact CE2-CD2 3.93Å; Y826-L829 WeakPolarHBondContact O-CB 3.4Å; Y826-L829 PolarHBondContact O-N 2.93Å; Y826-L829 VanDerWaalsContact O-N 3.09Å; L829-H832 PolarHBondContact O-N 3.26Å; L829-R833 WeakPolarHBondContact O-CG 3.4Å; L829-R833 PolarHBondContact O-N 3.11Å; L829-R833 VanDerWaalsContact O-N 3.16Å
830	M	93.2	Very high	93.7	Very high	14 Å²	14	13.1 Å²	13.1	7%	0.069	6%	0.06	C	C	.	.	H	α-helix	trans	-61.3	-46.2	172.5	-67.5	175.9	61.9	0	0	111.2	Y826 A827 D828 R833 Q834 I869 L872 V873	Y826-M830 HydrophobicContact CD1-CG 3.88Å; Y826-M830 HydrophobicContact CD1-SD 3.87Å; Y826-M830 HydrophobicContact CE1-CG 3.58Å; Y826-M830 HydrophobicContact CE1-SD 3.74Å; Y826-M830 WeakPolarHBondContact O-CG 3.34Å; Y826-M830 PolarHBondContact O-N 3.35Å; A827-M830 WeakPolarHBondContact O-CB 3.33Å; A827-M830 PolarHBondContact O-N 2.81Å; D828-M830 VanDerWaalsContact C-N 3.33Å; D828-M830 PolarHBondContact O-N 3.15Å; M830-R833 PolarHBondContact O-N 3.17Å; M830-Q834 WeakPolarHBondContact O-CG 3.26Å; M830-Q834 PolarHBondContact O-N 3.05Å; M830-I869 HydrophobicContact CE-CG2 4.02Å; M830-L872 HydrophobicContact CE-CB 4.08Å; M830-L872 HydrophobicContact CE-CD1 4.26Å; M830-L872 HydrophobicContact SD-CB 4.13Å; M830-L872 HydrophobicContact SD-CD1 4.48Å; M830-V873 HydrophobicContact CE-CG2 4.31Å
831	V	95.9	Very high	92.7	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.006	7%	0.067	C	C	.	.	H	α-helix	trans	-64.2	-41.6	178.8	170.2	0	0	0	0	111.2	V640 L644 T817 F819 A827 D828 R833 Q834 I835	V640-V831 HydrophobicContact CG1-CG1 3.48Å; V640-V831 VanDerWaalsContact CG1-CG1 3.48Å; L644-V831 HydrophobicContact CD1-CG1 4.16Å; T817-V831 HydrophobicContact CG2-CG1 4.27Å; F819-V831 HydrophobicContact CB-CG1 4.21Å; F819-V831 HydrophobicContact CD2-CG1 4.02Å; A827-V831 WeakPolarHBondContact O-CG2 3.41Å; A827-V831 PolarHBondContact O-N 2.83Å; D828-V831 PolarHBondContact O-N 3.23Å; V831-R833 VanDerWaalsContact C-N 3.3Å; V831-R833 PolarHBondContact O-N 3.23Å; V831-Q834 WeakPolarHBondContact O-CB 3.37Å; V831-Q834 PolarHBondContact O-N 2.95Å; V831-Q834 VanDerWaalsContact O-N 3.14Å; V831-I835 HydrophobicContact CG1-CD1 4.03Å; V831-I835 HydrophobicContact CG1-CG1 4.36Å; V831-I835 WeakPolarHBondContact O-CG1 3.49Å; V831-I835 PolarHBondContact O-N 2.91Å
832	H	95.1	Very high	91.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-54.6	-46.1	173.7	-85.8	-131.3	0	0	0	111.5	A438 F491 F819 D828 L829 I835 A836	A438-H832 PolarHBondContact O-CE1 2.96Å; F491-H832 HydrophobicContact CD2-CB 4.43Å; F491-H832 AromaticContact CD2-ND1 3.79Å; F819-H832 AromaticContact CD2-CD2 3.22Å; F819-H832 WeakPolarHBondContact CD2-CD2 3.42Å; F819-H832 AromaticContact CD2-NE2 3.37Å; F819-H832 WeakPolarHBondContact CD2-NE2 3.26Å; F819-H832 AromaticContact CE2-CD2 3.24Å; F819-H832 WeakPolarHBondContact CE2-CD2 3.27Å; F819-H832 AromaticContact CE2-CE1 3.86Å; F819-H832 AromaticContact CE2-CG 3.92Å; F819-H832 AromaticContact CE2-NE2 3.2Å; F819-H832 WeakPolarHBondContact CE2-NE2 3.47Å; F819-H832 AromaticContact CZ-NE2 3.73Å; F819-H832 PolarHBondContact O-NE2 3.13Å; D828-H832 PolarHBondContact O-CD2 3.23Å; D828-H832 PolarHBondContact O-N 2.91Å; L829-H832 PolarHBondContact O-N 3.26Å; H832-I835 PolarHBondContact O-N 2.88Å; H832-A836 VanDerWaalsContact O-CB 3.26Å; H832-A836 WeakPolarHBondContact O-CB 3.36Å; H832-A836 PolarHBondContact O-N 3.07Å
833	R	91.3	Very high	89.4	Confident	21 Å²	21	16.6 Å²	16.6	8%	0.079	8%	0.08	C	C	.	.	H	α-helix	trans	-65.1	-42	176.7	-67.9	167.6	178.5	167.2	0.9	112	V444 D451 Y826 L829 M830 V831 I835 A836 R837	V444-R833 PolarHBondContact O-NH2 3.34Å; D451-R833 IonicContact OD1-CZ 2.74Å; D451-R833 IonicContact OD1-NH1 2.9Å; D451-R833 PolarHBondContact OD1-NH1 3.41Å; D451-R833 IonicContact OD1-NH2 2.85Å; D451-R833 PolarHBondContact OD1-NH2 2.85Å; D451-R833 IonicContact OD2-NH1 3.48Å; D451-R833 PolarHBondContact OD2-NH1 3.01Å; D451-R833 IonicContact OD2-NH2 2.85Å; Y826-R833 PolarHBondContact OH-NH1 3.29Å; L829-R833 WeakPolarHBondContact O-CG 3.4Å; L829-R833 PolarHBondContact O-N 3.11Å; L829-R833 VanDerWaalsContact O-N 3.16Å; M830-R833 PolarHBondContact O-N 3.17Å; V831-R833 VanDerWaalsContact C-N 3.3Å; V831-R833 PolarHBondContact O-N 3.23Å; R833-I835 PolarHBondContact O-N 3.09Å; R833-A836 PolarHBondContact O-N 3.14Å; R833-R837 VanDerWaalsContact O-CB 3.22Å; R833-R837 WeakPolarHBondContact O-CB 3.48Å; R833-R837 PolarHBondContact O-N 2.81Å
834	Q	91.4	Very high	87.5	Confident	6 Å²	6	21.1 Å²	21.1	3%	0.028	10%	0.097	C	C	.	.	H	α-helix	trans	-59	-48.7	176.6	-74.2	169.8	-18.8	0	0	111.2	L644 L675 G676 T678 M830 V831 R837 I838	L644-Q834 HydrophobicContact CD2-CB 3.98Å; L675-Q834 HydrophobicContact CB-CG 4.08Å; L675-Q834 PolarHBondContact O-NE2 3.44Å; G676-Q834 PolarHBondContact O-NE2 2.99Å; T678-Q834 PolarHBondContact OG1-NE2 2.7Å; M830-Q834 WeakPolarHBondContact O-CG 3.26Å; M830-Q834 PolarHBondContact O-N 3.05Å; V831-Q834 WeakPolarHBondContact O-CB 3.37Å; V831-Q834 PolarHBondContact O-N 2.95Å; V831-Q834 VanDerWaalsContact O-N 3.14Å; Q834-R837 PolarHBondContact O-N 2.93Å; Q834-I838 WeakPolarHBondContact O-CD1 3.37Å; Q834-I838 WeakPolarHBondContact O-CG1 3.48Å; Q834-I838 PolarHBondContact O-N 3.44Å
835	I	92.5	Very high	85.6	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.6	-47.1	178.5	-55	167.8	0	0	0	110.9	F491 V640 F643 L644 F819 V831 H832 R833 R837 I838 L839	F491-I835 HydrophobicContact CE1-CG2 3.92Å; F491-I835 HydrophobicContact CE2-CB 4.24Å; F491-I835 HydrophobicContact CE2-CG2 4.36Å; F491-I835 HydrophobicContact CZ-CB 3.79Å; F491-I835 HydrophobicContact CZ-CG2 3.44Å; F491-I835 VanDerWaalsContact CZ-CG2 3.44Å; V640-I835 HydrophobicContact CB-CD1 4.18Å; V640-I835 HydrophobicContact CG1-CD1 3.35Å; V640-I835 HydrophobicContact CG1-CG1 4.07Å; V640-I835 HydrophobicContact CG2-CD1 3.77Å; F643-I835 HydrophobicContact CD1-CG1 4.43Å; F643-I835 HydrophobicContact CD1-CG2 4.12Å; F643-I835 HydrophobicContact CE1-CG2 3.81Å; L644-I835 HydrophobicContact CD2-CG1 4.19Å; F819-I835 HydrophobicContact CD2-CD1 3.74Å; F819-I835 HydrophobicContact CE2-CD1 3.63Å; V831-I835 HydrophobicContact CG1-CD1 4.03Å; V831-I835 HydrophobicContact CG1-CG1 4.36Å; V831-I835 WeakPolarHBondContact O-CG1 3.49Å; V831-I835 PolarHBondContact O-N 2.91Å; H832-I835 PolarHBondContact O-N 2.88Å; R833-I835 PolarHBondContact O-N 3.09Å; I835-R837 PolarHBondContact O-N 2.83Å; I835-I838 PolarHBondContact O-N 3.24Å; I835-I838 VanDerWaalsContact O-N 3.14Å; I835-L839 HydrophobicContact CG2-CD1 3.67Å; I835-L839 HydrophobicContact CG2-CG 4.07Å; I835-L839 WeakPolarHBondContact O-CB 3.27Å; I835-L839 WeakPolarHBondContact O-CG 3.36Å; I835-L839 PolarHBondContact O-N 3.24Å
836	A	89.3	Confident	83.8	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-58.7	-36.8	179.9	0	0	0	0	0	111.8	F491 H832 R833 G840 C841 D842	F491-A836 HydrophobicContact CE2-CB 4Å; H832-A836 VanDerWaalsContact O-CB 3.26Å; H832-A836 WeakPolarHBondContact O-CB 3.36Å; H832-A836 PolarHBondContact O-N 3.07Å; R833-A836 PolarHBondContact O-N 3.14Å; A836-G840 CarbonylContact O-C 3.14Å; A836-G840 PolarHBondContact O-N 3.08Å; A836-G840 VanDerWaalsContact O-N 3.13Å; A836-C841 HydrophobicContact CB-CB 4.23Å; A836-C841 PolarHBondContact O-N 3.22Å; A836-D842 WeakPolarHBondContact CB-OD1 3.42Å; A836-D842 PolarHBondContact O-N 2.82Å
837	R	85.9	Confident	81.5	Confident	36 Å²	36	19.7 Å²	19.7	14%	0.136	10%	0.103	C	C	.	.	H	α-helix	trans	-68.3	-44.3	175.9	-176.6	58.6	173.3	145.3	-5.1	112.6	N671 H672 R673 L675 R833 Q834 I835 G840 N843	N671-R837 PolarHBondContact O-NH2 2.72Å; H672-R837 PolarHBondContact ND1-NH1 2.75Å; R673-R837 VanDerWaalsContact N-NH2 3.13Å; L675-R837 HydrophobicContact CD1-CB 3.76Å; L675-R837 HydrophobicContact CD1-CG 3.9Å; L675-R837 HydrophobicContact CG-CB 4.35Å; L675-R837 HydrophobicContact CG-CG 4.03Å; R833-R837 VanDerWaalsContact O-CB 3.22Å; R833-R837 WeakPolarHBondContact O-CB 3.48Å; R833-R837 PolarHBondContact O-N 2.81Å; Q834-R837 PolarHBondContact O-N 2.93Å; I835-R837 PolarHBondContact O-N 2.83Å; R837-G840 PolarHBondContact O-N 2.69Å; R837-N843 PolarHBondContact NH1-OD1 3.19Å
838	I	87	Confident	79	Confident	16 Å²	16	26.5 Å²	26.5	8%	0.082	13%	0.134	C	C	.	.	H	α-helix	trans	-59.2	-53.2	176.1	-68.8	163.7	0	0	0	108.2	F643 L644 N647 F658 W674 Q834 I835 G840	F643-I838 HydrophobicContact CE1-CB 4.01Å; F643-I838 HydrophobicContact CE1-CD1 4.16Å; F643-I838 HydrophobicContact CE1-CG2 3.5Å; F643-I838 VanDerWaalsContact CE1-CG2 3.5Å; F643-I838 HydrophobicContact CZ-CB 4.41Å; F643-I838 HydrophobicContact CZ-CG2 3.55Å; L644-I838 HydrophobicContact CD2-CD1 3.65Å; N647-I838 HydrophobicContact CB-CD1 4.45Å; N647-I838 HydrophobicContact CB-CG2 4.45Å; F658-I838 VanDerWaalsContact CD2-O 3.29Å; F658-I838 WeakPolarHBondContact CD2-O 3.48Å; F658-I838 HydrophobicContact CE2-CB 4.41Å; F658-I838 HydrophobicContact CE2-CG2 3.44Å; F658-I838 VanDerWaalsContact CE2-CG2 3.44Å; F658-I838 WeakPolarHBondContact CE2-O 3.45Å; F658-I838 VanDerWaalsContact CZ-C 3.45Å; F658-I838 HydrophobicContact CZ-CG2 3.76Å; F658-I838 WeakPolarHBondContact CZ-O 3.33Å; W674-I838 HydrophobicContact CE3-CD1 4.3Å; W674-I838 HydrophobicContact CE3-CG1 4.26Å; W674-I838 HydrophobicContact CH2-CD1 4.25Å; W674-I838 HydrophobicContact CZ3-CD1 3.52Å; W674-I838 HydrophobicContact CZ3-CG1 3.93Å; Q834-I838 WeakPolarHBondContact O-CD1 3.37Å; Q834-I838 WeakPolarHBondContact O-CG1 3.48Å; Q834-I838 PolarHBondContact O-N 3.44Å; I835-I838 PolarHBondContact O-N 3.24Å; I835-I838 VanDerWaalsContact O-N 3.14Å; I838-G840 PolarHBondContact O-N 3.49Å
839	L	88.6	Confident	76.4	Confident	37 Å²	37	28.8 Å²	28.8	19%	0.194	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-4.5	177.9	-64.4	175.1	0	0	0	115.1	F491 F508 F643 F658 I835 C841	F491-L839 HydrophobicContact CE1-CD1 4.06Å; F491-L839 HydrophobicContact CZ-CD1 3.92Å; F508-L839 HydrophobicContact CB-CD1 4.01Å; F643-L839 HydrophobicContact CE2-CD2 4.25Å; F643-L839 HydrophobicContact CZ-CD2 3.71Å; F643-L839 HydrophobicContact CZ-CG 4.12Å; F658-L839 HydrophobicContact CE1-CD2 4.07Å; F658-L839 HydrophobicContact CZ-CD2 3.96Å; I835-L839 HydrophobicContact CG2-CD1 3.67Å; I835-L839 HydrophobicContact CG2-CG 4.07Å; I835-L839 WeakPolarHBondContact O-CB 3.27Å; I835-L839 WeakPolarHBondContact O-CG 3.36Å; I835-L839 PolarHBondContact O-N 3.24Å; L839-C841 VanDerWaalsContact CB-SG 3.55Å; L839-C841 PolarHBondContact O-N 2.88Å
840	G	81.8	Confident	73.8	Confident	12 Å²	12	31.9 Å²	31.9	12%	0.124	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	8.5	-176.6	0	0	0	0	0	115	A836 R837 I838 D842 N843	A836-G840 CarbonylContact O-C 3.14Å; A836-G840 PolarHBondContact O-N 3.08Å; A836-G840 VanDerWaalsContact O-N 3.13Å; R837-G840 PolarHBondContact O-N 2.69Å; I838-G840 PolarHBondContact O-N 3.49Å; G840-D842 VanDerWaalsContact C-N 3.31Å; G840-D842 PolarHBondContact O-N 2.92Å; G840-N843 PolarHBondContact O-N 3.42Å
841	C	78	Confident	71.1	Confident	29 Å²	29	36.9 Å²	36.9	20%	0.196	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-32.4	179.8	-56.2	0	0	0	0	112.6	R510 A836 L839 N843 Y844	R510-C841 HydrophobicContact CG-CB 4.45Å; A836-C841 HydrophobicContact CB-CB 4.23Å; A836-C841 PolarHBondContact O-N 3.22Å; L839-C841 VanDerWaalsContact CB-SG 3.55Å; L839-C841 PolarHBondContact O-N 2.88Å; C841-N843 VanDerWaalsContact C-N 3.26Å; C841-N843 PolarHBondContact O-N 2.93Å; C841-Y844 PolarHBondContact O-N 3.29Å
842	D	66.8	Low	68.2	Low	14 Å²	14	40 Å²	40	8%	0.075	21%	0.208	C	C	.	.	H	α-helix	trans	-65.8	-25.4	-177.8	-81.7	-7.7	0	0	0	113.8	R510 A836 G840 Y844 V845 Y846	R510-D842 IonicContact NH2-OD1 3.17Å; R510-D842 PolarHBondContact NH2-OD1 3.47Å; A836-D842 WeakPolarHBondContact CB-OD1 3.42Å; A836-D842 PolarHBondContact O-N 2.82Å; G840-D842 VanDerWaalsContact C-N 3.31Å; G840-D842 PolarHBondContact O-N 2.92Å; D842-Y844 PolarHBondContact O-N 2.94Å; D842-Y844 VanDerWaalsContact O-N 3.1Å; D842-V845 PolarHBondContact O-N 3.04Å; D842-V845 VanDerWaalsContact O-N 3.11Å; D842-Y846 HydrophobicContact CB-CD2 3.96Å; D842-Y846 HydrophobicContact CB-CE2 4.39Å; D842-Y846 PolarHBondContact O-N 2.88Å; D842-Y846 WeakPolarHBondContact OD1-CE2 3.43Å
843	N	61.1	Low	65.4	Low	38 Å²	38	43.3 Å²	43.3	20%	0.203	22%	0.222	C	C	.	.	H	α-helix	trans	-58.2	-28.3	-179.7	-72.7	-11.3	0	0	0	112	H672 R837 G840 C841 Q850	H672-N843 PolarHBondContact CE1-ND2 3.33Å; R837-N843 PolarHBondContact NH1-OD1 3.19Å; G840-N843 PolarHBondContact O-N 3.42Å; C841-N843 VanDerWaalsContact C-N 3.26Å; C841-N843 PolarHBondContact O-N 2.93Å; N843-Q850 PolarHBondContact OD1-NE2 3.33Å
844	Y	57.4	Low	62.7	Low	95 Å²	95	47.2 Å²	47.2	37%	0.373	24%	0.242	S	C	.	.	H	α-helix	trans	-91.4	-25.3	-179.3	-60.4	-69.3	0	0	0	113.7	M664 C841 D842	M664-Y844 PolarHBondContact SD-OH 3.4Å; C841-Y844 PolarHBondContact O-N 3.29Å; D842-Y844 PolarHBondContact O-N 2.94Å; D842-Y844 VanDerWaalsContact O-N 3.1Å
845	V	57.5	Low	60.1	Low	18 Å²	18	50.5 Å²	50.5	11%	0.109	27%	0.265	C	S	.	.	H	α-helix	trans	-92	-32.4	-173.7	-177.1	0	0	0	0	110.3	Y442 D842	Y442-V845 HydrophobicContact CD2-CG1 4.15Å; D842-V845 PolarHBondContact O-N 3.04Å; D842-V845 VanDerWaalsContact O-N 3.11Å
846	Y	58.2	Low	57.5	Low	7 Å²	7	57.8 Å²	57.8	3%	0.027	30%	0.304	C	S	.	.			trans	-129.7	72	-179.4	-45.8	-66.4	0	0	0	112.4	S441 Y445 D842 E848 L849	S441-Y846 PolarHBondContact O-OH 3.49Å; Y445-Y846 AromaticContact CD1-CD1 3.42Å; Y445-Y846 HydrophobicContact CD1-CD1 3.42Å; Y445-Y846 VanDerWaalsContact CD1-CD1 3.42Å; Y445-Y846 AromaticContact CD1-CE1 3.31Å; Y445-Y846 HydrophobicContact CD1-CE1 3.31Å; Y445-Y846 AromaticContact CE1-CD1 3.65Å; Y445-Y846 HydrophobicContact CE1-CD1 3.65Å; Y445-Y846 AromaticContact CE1-CE1 3.64Å; Y445-Y846 HydrophobicContact CE1-CE1 3.64Å; Y445-Y846 HydrophobicContact CG-CE1 4.17Å; D842-Y846 HydrophobicContact CB-CD2 3.96Å; D842-Y846 HydrophobicContact CB-CE2 4.39Å; D842-Y846 PolarHBondContact O-N 2.88Å; D842-Y846 WeakPolarHBondContact OD1-CE2 3.43Å; Y846-E848 PolarHBondContact O-N 3.4Å; Y846-L849 HydrophobicContact CD1-CD1 4.44Å; Y846-L849 HydrophobicContact CD2-CD1 3.89Å; Y846-L849 HydrophobicContact CG-CD1 3.73Å; Y846-L849 PolarHBondContact O-N 2.82Å; Y846-L849 VanDerWaalsContact O-N 3.16Å
847	P	50	Low	55	Low	67 Å²	67	62 Å²	62	44%	0.435	33%	0.326	S	S	.	.	H	α-helix	trans	-57.8	-37.3	177.5	-18.5	30	0	0	0	111.8	L849 Q850	P847-L849 VanDerWaalsContact C-N 3.26Å; P847-L849 PolarHBondContact O-N 3.4Å; P847-Q850 WeakPolarHBondContact O-CB 3.46Å; P847-Q850 PolarHBondContact O-N 2.72Å; P847-Q850 VanDerWaalsContact O-N 3.08Å
848	E	44.1	Very low	52.7	Low	146 Å²	146	66.6 Å²	66.6	68%	0.682	35%	0.354	S	S	*	.	H	α-helix	trans	-59.1	-34.7	-179.7	-26.8	-71.5	170	0	0	112.8	Y846 Q850 I851 S852	Y846-E848 PolarHBondContact O-N 3.4Å; E848-Q850 PolarHBondContact O-N 3.1Å; E848-I851 PolarHBondContact O-N 3.02Å; E848-S852 PolarHBondContact O-N 3.22Å
849	L	43.7	Very low	50.2	Low	47 Å²	47	69.7 Å²	69.7	25%	0.246	38%	0.377	C	S	.	.	H	α-helix	trans	-67.4	-26.9	-179.7	-76	175.5	0	0	0	111.2	P446 Y846 P847 I851 S852 F853	P446-L849 HydrophobicContact CB-CD1 4.43Å; P446-L849 HydrophobicContact CG-CD1 4.01Å; Y846-L849 HydrophobicContact CD1-CD1 4.44Å; Y846-L849 HydrophobicContact CD2-CD1 3.89Å; Y846-L849 HydrophobicContact CG-CD1 3.73Å; Y846-L849 PolarHBondContact O-N 2.82Å; Y846-L849 VanDerWaalsContact O-N 3.16Å; P847-L849 VanDerWaalsContact C-N 3.26Å; P847-L849 PolarHBondContact O-N 3.4Å; L849-I851 VanDerWaalsContact C-N 3.34Å; L849-S852 PolarHBondContact O-OG 2.85Å; L849-F853 HydrophobicContact CB-CE2 4.43Å; L849-F853 HydrophobicContact CD2-CE2 4.32Å; L849-F853 WeakPolarHBondContact O-CD2 3.36Å
850	Q	41.8	Very low	47.6	Very low	66 Å²	66	72.4 Å²	72.4	31%	0.308	39%	0.391	S	S	.	.	H	α-helix	trans	-64	-40.6	173.7	-64.2	-174.1	-20.2	0	0	111.6	N843 P847 E848 F853 Q854	N843-Q850 PolarHBondContact OD1-NE2 3.33Å; P847-Q850 WeakPolarHBondContact O-CB 3.46Å; P847-Q850 PolarHBondContact O-N 2.72Å; P847-Q850 VanDerWaalsContact O-N 3.08Å; E848-Q850 PolarHBondContact O-N 3.1Å; Q850-F853 PolarHBondContact O-N 3.29Å; Q850-Q854 PolarHBondContact O-N 2.55Å
851	I	36.6	Very low	45.4	Very low	118 Å²	118	73.7 Å²	73.7	61%	0.605	39%	0.394	S	S	*	.	H	α-helix	trans	-67.1	-41.9	-176.3	-55.6	174.1	0	0	0	110.6	E848 L849 F853 Q854	E848-I851 PolarHBondContact O-N 3.02Å; L849-I851 VanDerWaalsContact C-N 3.34Å; I851-F853 PolarHBondContact O-N 3.33Å; I851-Q854 PolarHBondContact O-N 3.29Å
852	S	34	Very low	43.4	Very low	66 Å²	66	80.9 Å²	80.9	46%	0.462	42%	0.421	S	S	.	.	H	α-helix	trans	-64.6	-21.5	-180	70.4	0	0	0	0	114.2	E848 L849	E848-S852 PolarHBondContact O-N 3.22Å; L849-S852 PolarHBondContact O-OG 2.85Å
853	F	36.2	Very low	41.8	Very low	70 Å²	70	84.9 Å²	84.9	31%	0.307	44%	0.443	S	S	.	.	H	α-helix	trans	-102.5	-6.8	-177.6	-64.8	-50.3	0	0	0	114.7	L849 Q850 I851 S855 Q861 K865	L849-F853 HydrophobicContact CB-CE2 4.43Å; L849-F853 HydrophobicContact CD2-CE2 4.32Å; L849-F853 WeakPolarHBondContact O-CD2 3.36Å; Q850-F853 PolarHBondContact O-N 3.29Å; I851-F853 PolarHBondContact O-N 3.33Å; F853-S855 VanDerWaalsContact C-N 3.28Å; F853-S855 PolarHBondContact O-N 3.12Å; F853-Q861 PolarHBondContact O-NE2 2.99Å; F853-Q861 VanDerWaalsContact O-NE2 3.11Å; F853-K865 VanDerWaalsContact CZ-NZ 3.29Å
854	Q	35.6	Very low	40.6	Very low	104 Å²	104	86.4 Å²	86.4	49%	0.486	45%	0.451	S	S	.	.			trans	-80.6	1.8	174.5	-79.4	-178.5	-11.1	0	0	114.1	N670 Q850 I851 N856	N670-Q854 PolarHBondContact OD1-NE2 2.64Å; Q850-Q854 PolarHBondContact O-N 2.55Å; I851-Q854 PolarHBondContact O-N 3.29Å; Q854-N856 PolarHBondContact O-N 2.78Å; Q854-N856 PolarHBondContact O-OD1 3.17Å
855	S	36.5	Very low	40.2	Very low	74 Å²	74	84.8 Å²	84.8	52%	0.517	45%	0.445	S	S	.	.			trans	-68.3	104	169.6	62.6	0	0	0	0	109.6	F853 D857 Q861	F853-S855 VanDerWaalsContact C-N 3.28Å; F853-S855 PolarHBondContact O-N 3.12Å; S855-D857 PolarHBondContact O-N 3.25Å; S855-Q861 PolarHBondContact O-NE2 3.27Å
856	N	36.6	Very low	39.6	Very low	153 Å²	153	87 Å²	87	82%	0.818	46%	0.457	S	S	*	.			trans	-58.5	25.3	-175.3	-75.4	-20.4	0	0	0	117	Q854 D858	Q854-N856 PolarHBondContact O-N 2.78Å; Q854-N856 PolarHBondContact O-OD1 3.17Å; N856-D858 PolarHBondContact O-N 3.17Å
857	D	37.2	Very low	39.3	Very low	88 Å²	88	89.4 Å²	89.4	47%	0.471	48%	0.475	S	S	.	.			trans	-90.4	81.2	178	-135.2	-26.7	0	0	0	110.6	S855 S859 I860 Q861	S855-D857 PolarHBondContact O-N 3.25Å; D857-S859 PolarHBondContact O-N 2.95Å; D857-S859 PolarHBondContact OD1-OG 2.93Å; D857-I860 HydrophobicContact CB-CD1 4.39Å; D857-I860 PolarHBondContact O-N 3.03Å; D857-Q861 PolarHBondContact O-N 3.4Å
858	D	37.9	Very low	40.2	Very low	133 Å²	133	88.3 Å²	88.3	71%	0.711	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-19.5	-177.7	-78.5	-29.4	0	0	0	113.8	N856	N856-D858 PolarHBondContact O-N 3.17Å
859	S	34.9	Very low	41.8	Very low	82 Å²	82	82.5 Å²	82.5	57%	0.573	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-26.9	-178.1	69.7	0	0	0	0	114	D857	D857-S859 PolarHBondContact O-N 2.95Å; D857-S859 PolarHBondContact OD1-OG 2.93Å
860	I	34.6	Very low	43.3	Very low	93 Å²	93	82.4 Å²	82.4	48%	0.477	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-24.6	-178.1	-63.7	174.2	0	0	0	110.5	D857 I864	D857-I860 HydrophobicContact CB-CD1 4.39Å; D857-I860 PolarHBondContact O-N 3.03Å; I860-I864 HydrophobicContact CG2-CD1 3.61Å; I860-I864 WeakPolarHBondContact O-CD1 3.5Å
861	Q	35.5	Very low	44.8	Very low	39 Å²	39	82.6 Å²	82.6	18%	0.182	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-18.2	-170.8	-75.5	-156.6	15.1	0	0	116.2	R673 F853 S855 D857	R673-Q861 VanDerWaalsContact CZ-OE1 3.29Å; R673-Q861 VanDerWaalsContact NH1-OE1 3.16Å; R673-Q861 PolarHBondContact NH2-O 2.81Å; F853-Q861 PolarHBondContact O-NE2 2.99Å; F853-Q861 VanDerWaalsContact O-NE2 3.11Å; S855-Q861 PolarHBondContact O-NE2 3.27Å; D857-Q861 PolarHBondContact O-N 3.4Å
862	K	35.8	Very low	47	Very low	180 Å²	180	79.1 Å²	79.1	78%	0.783	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-25.8	-173.2	-110.3	177	-179.6	171.8	0	115.3
863	D	33.7	Very low	49.5	Very low	99 Å²	99	76.3 Å²	76.3	53%	0.529	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-7.8	-166.2	-65.5	-20.3	0	0	0	115	K81	K81-D863 HydrophobicContact CD-CB 4.45Å; K81-D863 VanDerWaalsContact CE-CB 3.46Å; K81-D863 IonicContact NZ-OD2 3.84Å; K81-D863 PolarHBondContact NZ-OD2 3.39Å
864	I	34.4	Very low	51.7	Low	70 Å²	70	75.6 Å²	75.6	36%	0.359	41%	0.411	S	S	.	.	S	Bend	trans	-100.1	-8.6	-166.2	-62.1	179.4	0	0	0	113.6	I860 S867	I860-I864 HydrophobicContact CG2-CD1 3.61Å; I860-I864 WeakPolarHBondContact O-CD1 3.5Å; I864-S867 PolarHBondContact O-OG 3.36Å
865	K	50.4	Low	54.1	Low	61 Å²	61	72.5 Å²	72.5	27%	0.265	39%	0.394	S	S	.	.	S	Bend	trans	-101.7	-26.3	-171.1	-75	-169	174.3	-170.9	0	116.7	F853 S867 D868	F853-K865 VanDerWaalsContact CZ-NZ 3.29Å; K865-S867 VanDerWaalsContact C-N 3.27Å; K865-S867 PolarHBondContact O-N 2.77Å; K865-D868 PolarHBondContact O-N 3.41Å
866	D	45	Very low	56.8	Low	64 Å²	64	69 Å²	69	34%	0.342	37%	0.37	S	S	.	.	H	α-helix	trans	-67	-33.5	-179.1	-71.6	-11.8	0	0	0	111.1	D868 D870	D866-D868 PolarHBondContact O-N 3.37Å; D866-D870 PolarHBondContact O-N 3.05Å
867	S	52	Low	59.4	Low	58 Å²	58	63.2 Å²	63.2	41%	0.406	34%	0.339	S	S	.	.	H	α-helix	trans	-64.8	-34.8	179.4	55.8	0	0	0	0	113.9	I864 K865 L871	I864-S867 PolarHBondContact O-OG 3.36Å; K865-S867 VanDerWaalsContact C-N 3.27Å; K865-S867 PolarHBondContact O-N 2.77Å; S867-L871 WeakPolarHBondContact O-CB 3.48Å; S867-L871 WeakPolarHBondContact O-CD1 3.48Å; S867-L871 VanDerWaalsContact O-CG 3.23Å; S867-L871 WeakPolarHBondContact O-CG 3.43Å; S867-L871 PolarHBondContact O-N 3Å; S867-L871 VanDerWaalsContact O-N 3.11Å
868	D	68	Low	61.7	Low	44 Å²	44	59.7 Å²	59.7	24%	0.235	32%	0.32	C	S	.	.	H	α-helix	trans	-72.2	-40.2	-173.9	-70.6	-11.9	0	0	0	111.6	K865 D866 L871 L872	K865-D868 PolarHBondContact O-N 3.41Å; D866-D868 PolarHBondContact O-N 3.37Å; D868-L871 PolarHBondContact O-N 3.32Å; D868-L872 WeakPolarHBondContact O-CB 3.29Å; D868-L872 WeakPolarHBondContact O-CG 3.33Å; D868-L872 PolarHBondContact O-N 2.92Å
869	I	78.1	Confident	64.2	Low	23 Å²	23	54.2 Å²	54.2	12%	0.118	29%	0.289	C	S	.	.	H	α-helix	trans	-67.7	-42.1	177.7	-67.1	161.8	0	0	0	110.3	L675 N756 M830 L871 L872 V873	L675-I869 WeakPolarHBondContact O-CD1 3.47Å; N756-I869 HydrophobicContact CB-CG2 4.02Å; M830-I869 HydrophobicContact CE-CG2 4.02Å; I869-L871 VanDerWaalsContact C-N 3.3Å; I869-L871 PolarHBondContact O-N 3.38Å; I869-L872 PolarHBondContact O-N 3.12Å; I869-V873 HydrophobicContact CG2-CG2 4.08Å; I869-V873 VanDerWaalsContact O-CB 3.26Å; I869-V873 WeakPolarHBondContact O-CB 3.17Å; I869-V873 VanDerWaalsContact O-CG2 3.24Å; I869-V873 WeakPolarHBondContact O-CG2 3.32Å; I869-V873 PolarHBondContact O-N 3.12Å
870	D	74.5	Confident	67	Low	46 Å²	46	54.1 Å²	54.1	25%	0.246	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-42.2	177.9	-71.7	-30.8	0	0	0	111.9	N756 T759 D866 V873 A874	N756-D870 WeakPolarHBondContact CB-OD1 3.12Å; T759-D870 VanDerWaalsContact CB-OD1 3.28Å; T759-D870 WeakPolarHBondContact CB-OD1 3.24Å; T759-D870 WeakPolarHBondContact CB-OD2 3.34Å; T759-D870 WeakPolarHBondContact CG2-OD2 3.32Å; T759-D870 PolarHBondContact OG1-OD1 3.47Å; T759-D870 PolarHBondContact OG1-OD2 3.44Å; D866-D870 PolarHBondContact O-N 3.05Å; D870-V873 PolarHBondContact O-N 2.84Å; D870-A874 WeakPolarHBondContact O-CB 3.49Å; D870-A874 PolarHBondContact O-N 3.21Å
871	L	74	Confident	69.7	Low	70 Å²	70	52.5 Å²	52.5	37%	0.366	27%	0.268	S	S	.	.	H	α-helix	trans	-64.2	-45.3	175.4	-72.2	169.7	0	0	0	111.6	Q87 S867 D868 I869 V873 A874 W875	Q87-L871 HydrophobicContact CG-CD2 4.32Å; Q87-L871 VanDerWaalsContact NE2-CD1 3.29Å; S867-L871 WeakPolarHBondContact O-CB 3.48Å; S867-L871 WeakPolarHBondContact O-CD1 3.48Å; S867-L871 VanDerWaalsContact O-CG 3.23Å; S867-L871 WeakPolarHBondContact O-CG 3.43Å; S867-L871 PolarHBondContact O-N 3Å; S867-L871 VanDerWaalsContact O-N 3.11Å; D868-L871 PolarHBondContact O-N 3.32Å; I869-L871 VanDerWaalsContact C-N 3.3Å; I869-L871 PolarHBondContact O-N 3.38Å; L871-V873 VanDerWaalsContact C-N 3.32Å; L871-V873 PolarHBondContact O-N 3.14Å; L871-A874 PolarHBondContact O-N 3.34Å; L871-W875 VanDerWaalsContact O-CB 3.28Å; L871-W875 WeakPolarHBondContact O-CB 3.44Å; L871-W875 PolarHBondContact O-N 2.94Å
872	L	82.1	Confident	72.3	Confident	44 Å²	44	51.4 Å²	51.4	23%	0.23	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-41.3	176.5	-77.2	169.8	0	0	0	111.9	A455 Y826 M830 D868 I869 W875 C876	A455-L872 HydrophobicContact CB-CD2 4.15Å; Y826-L872 HydrophobicContact CE1-CD2 4.17Å; M830-L872 HydrophobicContact CE-CB 4.08Å; M830-L872 HydrophobicContact CE-CD1 4.26Å; M830-L872 HydrophobicContact SD-CB 4.13Å; M830-L872 HydrophobicContact SD-CD1 4.48Å; D868-L872 WeakPolarHBondContact O-CB 3.29Å; D868-L872 WeakPolarHBondContact O-CG 3.33Å; D868-L872 PolarHBondContact O-N 2.92Å; I869-L872 PolarHBondContact O-N 3.12Å; L872-W875 WeakPolarHBondContact O-CB 3.28Å; L872-W875 PolarHBondContact O-N 3.01Å; L872-C876 WeakPolarHBondContact O-CB 3.34Å; L872-C876 PolarHBondContact O-N 3.36Å; L872-C876 PolarHBondContact O-SG 3.48Å
873	V	87.6	Confident	75.1	Confident	7 Å²	7	43.4 Å²	43.4	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-44.3	178.4	161.3	0	0	0	0	111.3	T678 Y754 M830 I869 D870 L871 W875 C876 N877	T678-V873 HydrophobicContact CG2-CG2 3.87Å; Y754-V873 WeakPolarHBondContact O-CG1 3.34Å; M830-V873 HydrophobicContact CE-CG2 4.31Å; I869-V873 HydrophobicContact CG2-CG2 4.08Å; I869-V873 VanDerWaalsContact O-CB 3.26Å; I869-V873 WeakPolarHBondContact O-CB 3.17Å; I869-V873 VanDerWaalsContact O-CG2 3.24Å; I869-V873 WeakPolarHBondContact O-CG2 3.32Å; I869-V873 PolarHBondContact O-N 3.12Å; D870-V873 PolarHBondContact O-N 2.84Å; L871-V873 VanDerWaalsContact C-N 3.32Å; L871-V873 PolarHBondContact O-N 3.14Å; V873-W875 VanDerWaalsContact C-N 3.33Å; V873-W875 PolarHBondContact O-N 2.88Å; V873-C876 WeakPolarHBondContact O-CB 3.07Å; V873-C876 PolarHBondContact O-N 3.33Å; V873-N877 PolarHBondContact O-N 3Å; V873-N877 PolarHBondContact O-ND2 3.21Å
874	A	81.7	Confident	78	Confident	56 Å²	56	44 Å²	44	46%	0.463	23%	0.225	S	C	.	.	H	α-helix	trans	-61.7	-42.1	173.5	0	0	0	0	0	111.6	D870 L871 C876 N877 D878	D870-A874 WeakPolarHBondContact O-CB 3.49Å; D870-A874 PolarHBondContact O-N 3.21Å; L871-A874 PolarHBondContact O-N 3.34Å; A874-C876 VanDerWaalsContact C-N 3.35Å; A874-N877 PolarHBondContact O-N 3.14Å; A874-D878 PolarHBondContact O-N 2.9Å; A874-D878 VanDerWaalsContact O-N 3.09Å
875	W	86.3	Confident	80.7	Confident	39 Å²	39	45.2 Å²	45.2	15%	0.148	23%	0.225	C	C	.	.	H	α-helix	trans	-62.7	-41.2	174.5	-170.8	-103.9	0	0	0	111.9	K258 A455 D456 T458 L871 L872 V873 N877 D878 R879	K258-W875 HydrophobicContact CD-CH2 4.06Å; K258-W875 HydrophobicContact CD-CZ3 4.2Å; A455-W875 VanDerWaalsContact O-CD1 3.25Å; A455-W875 PolarHBondContact O-NE1 3.49Å; D456-W875 PolarHBondContact O-NE1 2.91Å; D456-W875 VanDerWaalsContact O-NE1 3.14Å; T458-W875 VanDerWaalsContact OG1-CD1 3.3Å; L871-W875 VanDerWaalsContact O-CB 3.28Å; L871-W875 WeakPolarHBondContact O-CB 3.44Å; L871-W875 PolarHBondContact O-N 2.94Å; L872-W875 WeakPolarHBondContact O-CB 3.28Å; L872-W875 PolarHBondContact O-N 3.01Å; V873-W875 VanDerWaalsContact C-N 3.33Å; V873-W875 PolarHBondContact O-N 2.88Å; W875-N877 VanDerWaalsContact C-N 3.33Å; W875-N877 PolarHBondContact O-N 3.42Å; W875-D878 PolarHBondContact O-N 3.14Å; W875-R879 HydrophobicContact CD2-CG 4.14Å; W875-R879 HydrophobicContact CG-CG 4.28Å; W875-R879 HydrophobicContact CZ2-CG 4.02Å; W875-R879 WeakPolarHBondContact O-CB 3.4Å; W875-R879 WeakPolarHBondContact O-CG 3.28Å; W875-R879 PolarHBondContact O-N 3.15Å
876	C	91.9	Very high	82.8	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-43.7	176.8	-75.3	0	0	0	0	111.7	T458 Y754 L872 V873 A874 R880	T458-C876 HydrophobicContact CG2-CB 3.99Å; Y754-C876 HydrophobicContact CD2-CB 3.96Å; Y754-C876 HydrophobicContact CE2-CB 4.28Å; L872-C876 WeakPolarHBondContact O-CB 3.34Å; L872-C876 PolarHBondContact O-N 3.36Å; L872-C876 PolarHBondContact O-SG 3.48Å; V873-C876 WeakPolarHBondContact O-CB 3.07Å; V873-C876 PolarHBondContact O-N 3.33Å; A874-C876 VanDerWaalsContact C-N 3.35Å; C876-R880 WeakPolarHBondContact O-CB 3.49Å; C876-R880 PolarHBondContact O-N 2.92Å
877	N	91.7	Very high	85.2	Confident	31 Å²	31	39.9 Å²	39.9	17%	0.166	20%	0.203	C	C	.	.	H	α-helix	trans	-60.8	-46	176.1	-73.3	-38.9	0	0	0	112.1	L753 Y754 V873 A874 W875 L881	L753-N877 WeakPolarHBondContact CA-OD1 3.28Å; L753-N877 HydrophobicContact CD2-CB 4.19Å; Y754-N877 VanDerWaalsContact CD2-OD1 3.27Å; Y754-N877 WeakPolarHBondContact CD2-OD1 3.25Å; Y754-N877 PolarHBondContact N-ND2 3.36Å; Y754-N877 PolarHBondContact N-OD1 3.11Å; Y754-N877 PolarHBondContact O-ND2 2.91Å; V873-N877 PolarHBondContact O-N 3Å; V873-N877 PolarHBondContact O-ND2 3.21Å; A874-N877 PolarHBondContact O-N 3.14Å; W875-N877 VanDerWaalsContact C-N 3.33Å; W875-N877 PolarHBondContact O-N 3.42Å; N877-L881 PolarHBondContact O-N 2.77Å; N877-L881 VanDerWaalsContact O-N 3.16Å
878	D	86	Confident	87	Confident	14 Å²	14	40.1 Å²	40.1	8%	0.075	20%	0.197	C	C	.	.	H	α-helix	trans	-63.4	-54.7	-179.4	-173.5	81	0	0	0	112.3	K89 A874 W875 R880 L881 K882	K89-D878 IonicContact NZ-OD1 2.66Å; K89-D878 PolarHBondContact NZ-OD1 2.8Å; A874-D878 PolarHBondContact O-N 2.9Å; A874-D878 VanDerWaalsContact O-N 3.09Å; W875-D878 PolarHBondContact O-N 3.14Å; D878-R880 VanDerWaalsContact C-N 3.31Å; D878-R880 PolarHBondContact O-N 3.48Å; D878-L881 WeakPolarHBondContact O-CB 3.33Å; D878-L881 PolarHBondContact O-N 2.87Å; D878-L881 VanDerWaalsContact O-N 3.13Å; D878-K882 PolarHBondContact O-N 2.97Å; D878-K882 IonicContact OD1-NZ 3.15Å; D878-K882 WeakPolarHBondContact OD2-CD 3.44Å; D878-K882 VanDerWaalsContact OD2-CE 3.25Å; D878-K882 WeakPolarHBondContact OD2-CE 3.37Å; D878-K882 IonicContact OD2-NZ 3.76Å; D878-K882 PolarHBondContact OD2-NZ 3.16Å
879	R	90.1	Very high	88.1	Confident	17 Å²	17	39 Å²	39	6%	0.064	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-35.8	-177.7	-65.4	-65.1	-71.9	169.5	-6.2	111.8	G367 D456 T458 W875 L881 K882 A883	G367-R879 PolarHBondContact O-NH1 3.45Å; D456-R879 PolarHBondContact O-NE 3.02Å; T458-R879 HydrophobicContact CG2-CB 3.89Å; W875-R879 HydrophobicContact CD2-CG 4.14Å; W875-R879 HydrophobicContact CG-CG 4.28Å; W875-R879 HydrophobicContact CZ2-CG 4.02Å; W875-R879 WeakPolarHBondContact O-CB 3.4Å; W875-R879 WeakPolarHBondContact O-CG 3.28Å; W875-R879 PolarHBondContact O-N 3.15Å; R879-L881 VanDerWaalsContact C-N 3.35Å; R879-L881 PolarHBondContact O-N 3.33Å; R879-K882 PolarHBondContact O-N 3.39Å; R879-A883 VanDerWaalsContact O-CB 3.28Å; R879-A883 WeakPolarHBondContact O-CB 3.44Å; R879-A883 PolarHBondContact O-N 2.63Å
880	R	93.5	Very high	88.9	Confident	80 Å²	80	37.9 Å²	37.9	30%	0.302	19%	0.189	S	C	.	.	H	α-helix	trans	-61.8	-42.3	173.7	-178.1	175.8	179.1	76.7	5.8	111.9	C876 D878 R884	C876-R880 WeakPolarHBondContact O-CB 3.49Å; C876-R880 PolarHBondContact O-N 2.92Å; D878-R880 VanDerWaalsContact C-N 3.31Å; D878-R880 PolarHBondContact O-N 3.48Å; R880-R884 WeakPolarHBondContact O-CB 3.35Å; R880-R884 PolarHBondContact O-N 3.35Å
881	L	90.6	Very high	89.7	Confident	59 Å²	59	38.1 Å²	38.1	31%	0.309	19%	0.188	S	C	.	.	H	α-helix	trans	-64.6	-44.8	177	-179.7	62.2	0	0	0	111.3	N877 D878 R879 R884 R885	N877-L881 PolarHBondContact O-N 2.77Å; N877-L881 VanDerWaalsContact O-N 3.16Å; D878-L881 WeakPolarHBondContact O-CB 3.33Å; D878-L881 PolarHBondContact O-N 2.87Å; D878-L881 VanDerWaalsContact O-N 3.13Å; R879-L881 VanDerWaalsContact C-N 3.35Å; R879-L881 PolarHBondContact O-N 3.33Å; L881-R884 PolarHBondContact O-N 2.83Å; L881-R885 HydrophobicContact CD1-CG 4.48Å; L881-R885 WeakPolarHBondContact O-CG 3.33Å; L881-R885 PolarHBondContact O-N 3.48Å
882	K	91.2	Very high	90.4	Very high	17 Å²	17	35.8 Å²	35.8	7%	0.074	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-47.5	177.5	-72.9	171.9	174.4	166.9	0	112.5	E122 D878 R879 R884 R885 A886	E122-K882 WeakPolarHBondContact OE2-CE 3.25Å; E122-K882 IonicContact OE2-NZ 2.7Å; E122-K882 PolarHBondContact OE2-NZ 2.78Å; D878-K882 PolarHBondContact O-N 2.97Å; D878-K882 IonicContact OD1-NZ 3.15Å; D878-K882 WeakPolarHBondContact OD2-CD 3.44Å; D878-K882 VanDerWaalsContact OD2-CE 3.25Å; D878-K882 WeakPolarHBondContact OD2-CE 3.37Å; D878-K882 IonicContact OD2-NZ 3.76Å; D878-K882 PolarHBondContact OD2-NZ 3.16Å; R879-K882 PolarHBondContact O-N 3.39Å; K882-R884 VanDerWaalsContact C-N 3.29Å; K882-R884 PolarHBondContact O-N 3.23Å; K882-R885 PolarHBondContact O-N 3.03Å; K882-A886 WeakPolarHBondContact O-CB 3.38Å; K882-A886 PolarHBondContact O-N 2.85Å
883	A	95.2	Very high	90.8	Very high	11 Å²	11	34.6 Å²	34.6	9%	0.091	17%	0.169	C	C	.	.	H	α-helix	trans	-57.4	-43.3	176.3	0	0	0	0	0	111.8	T459 V461 R879 A886 G887	T459-A883 HydrophobicContact CG2-CB 3.49Å; T459-A883 VanDerWaalsContact CG2-CB 3.49Å; V461-A883 HydrophobicContact CG2-CB 3.84Å; R879-A883 VanDerWaalsContact O-CB 3.28Å; R879-A883 WeakPolarHBondContact O-CB 3.44Å; R879-A883 PolarHBondContact O-N 2.63Å; A883-A886 PolarHBondContact O-N 2.67Å; A883-G887 PolarHBondContact O-N 3.28Å
884	R	92.9	Very high	91	Very high	111 Å²	111	34.2 Å²	34.2	42%	0.419	17%	0.167	S	C	.	.	H	α-helix	trans	-61.6	-49.5	175.5	179.7	-173.7	170.8	155.5	12.1	111.7	Y746 R880 L881 K882 A886 G887 E888	Y746-R884 PolarHBondContact OH-NH1 3.36Å; Y746-R884 PolarHBondContact OH-NH2 3.42Å; R880-R884 WeakPolarHBondContact O-CB 3.35Å; R880-R884 PolarHBondContact O-N 3.35Å; L881-R884 PolarHBondContact O-N 2.83Å; K882-R884 VanDerWaalsContact C-N 3.29Å; K882-R884 PolarHBondContact O-N 3.23Å; R884-A886 VanDerWaalsContact C-N 3.3Å; R884-A886 PolarHBondContact O-N 2.97Å; R884-G887 PolarHBondContact O-N 3.33Å; R884-G887 VanDerWaalsContact O-N 3.16Å; R884-E888 IonicContact CZ-OE1 2.7Å; R884-E888 IonicContact NE-OE1 2.83Å; R884-E888 PolarHBondContact NE-OE1 3.21Å; R884-E888 IonicContact NE-OE2 2.7Å; R884-E888 IonicContact NH2-OE1 3.26Å; R884-E888 PolarHBondContact NH2-OE1 3.34Å; R884-E888 WeakPolarHBondContact O-CG 3.41Å; R884-E888 PolarHBondContact O-N 3.39Å
885	R	92	Very high	91.3	Very high	97 Å²	97	31.7 Å²	31.7	37%	0.366	15%	0.146	S	C	.	.	H	α-helix	trans	-62.7	-37.3	-179.7	-72.1	-179.5	175.3	-175.5	-3.7	112.1	Y366 L881 K882 E888 A889	Y366-R885 HydrophobicContact CD1-CB 3.91Å; Y366-R885 HydrophobicContact CE1-CB 3.34Å; Y366-R885 HydrophobicContact CE1-CG 4.25Å; Y366-R885 HydrophobicContact CE2-CB 4.43Å; L881-R885 HydrophobicContact CD1-CG 4.48Å; L881-R885 WeakPolarHBondContact O-CG 3.33Å; L881-R885 PolarHBondContact O-N 3.48Å; K882-R885 PolarHBondContact O-N 3.03Å; R885-E888 PolarHBondContact O-N 2.99Å; R885-A889 WeakPolarHBondContact O-CB 3.26Å; R885-A889 PolarHBondContact O-N 3.07Å
886	A	95.2	Very high	91.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.1	-41.5	173.2	0	0	0	0	0	112.3	I362 Y366 I368 V461 L463 K882 A883 R884 A889 S890	I362-A886 HydrophobicContact CG2-CB 4.08Å; Y366-A886 HydrophobicContact CD2-CB 3.67Å; Y366-A886 HydrophobicContact CE2-CB 4.37Å; Y366-A886 HydrophobicContact CG-CB 4.1Å; I368-A886 HydrophobicContact CD1-CB 3.43Å; I368-A886 VanDerWaalsContact CD1-CB 3.43Å; V461-A886 HydrophobicContact CG1-CB 4.25Å; L463-A886 HydrophobicContact CD2-CB 4.49Å; K882-A886 WeakPolarHBondContact O-CB 3.38Å; K882-A886 PolarHBondContact O-N 2.85Å; A883-A886 PolarHBondContact O-N 2.67Å; R884-A886 VanDerWaalsContact C-N 3.3Å; R884-A886 PolarHBondContact O-N 2.97Å; A886-A889 PolarHBondContact O-N 2.86Å; A886-S890 WeakPolarHBondContact O-CB 3.43Å; A886-S890 PolarHBondContact O-N 2.82Å
887	G	94.5	Very high	91.2	Very high	13 Å²	13	29.9 Å²	29.9	13%	0.134	14%	0.139	C	C	.	.	H	α-helix	trans	-62.8	-42.4	173.4	0	0	0	0	0	112.7	Y462 A883 R884 S890 Q891	Y462-G887 WeakPolarHBondContact O-CA 3.49Å; A883-G887 PolarHBondContact O-N 3.28Å; R884-G887 PolarHBondContact O-N 3.33Å; R884-G887 VanDerWaalsContact O-N 3.16Å; G887-S890 WeakPolarHBondContact O-CB 3.38Å; G887-S890 PolarHBondContact O-N 2.95Å; G887-Q891 PolarHBondContact O-N 2.99Å
888	E	90.6	Very high	91.2	Very high	62 Å²	62	28.5 Å²	28.5	29%	0.29	13%	0.132	S	C	.	.	H	α-helix	trans	-65.5	-43	176	-68.8	175.2	160.7	0	0	111.8	K587 R884 R885 S890 Q891 H892	K587-E888 VanDerWaalsContact NZ-CD 3.3Å; K587-E888 IonicContact NZ-OE1 3.69Å; K587-E888 PolarHBondContact NZ-OE1 3.49Å; R884-E888 IonicContact CZ-OE1 2.7Å; R884-E888 IonicContact NE-OE1 2.83Å; R884-E888 PolarHBondContact NE-OE1 3.21Å; R884-E888 IonicContact NE-OE2 2.7Å; R884-E888 IonicContact NH2-OE1 3.26Å; R884-E888 PolarHBondContact NH2-OE1 3.34Å; R884-E888 WeakPolarHBondContact O-CG 3.41Å; R884-E888 PolarHBondContact O-N 3.39Å; R885-E888 PolarHBondContact O-N 2.99Å; E888-S890 VanDerWaalsContact C-N 3.3Å; E888-S890 PolarHBondContact O-N 3.41Å; E888-Q891 PolarHBondContact O-N 3.12Å; E888-H892 PolarHBondContact O-N 3.21Å
889	A	91.2	Very high	91.3	Very high	20 Å²	20	28.1 Å²	28.1	17%	0.165	13%	0.13	C	C	.	.	H	α-helix	trans	-63.4	-36.7	174.4	0	0	0	0	0	112	I362 Y366 R885 A886 H892 L893	I362-A889 HydrophobicContact CD1-CB 4.27Å; I362-A889 HydrophobicContact CG1-CB 4.28Å; I362-A889 HydrophobicContact CG2-CB 3.95Å; Y366-A889 HydrophobicContact CE2-CB 3.87Å; R885-A889 WeakPolarHBondContact O-CB 3.26Å; R885-A889 PolarHBondContact O-N 3.07Å; A886-A889 PolarHBondContact O-N 2.86Å; A889-H892 PolarHBondContact O-N 2.9Å; A889-L893 WeakPolarHBondContact O-CB 3.3Å; A889-L893 PolarHBondContact O-N 2.84Å
890	S	93.5	Very high	91.2	Very high	1 Å²	1	30 Å²	30	1%	0.007	14%	0.137	C	C	.	.	H	α-helix	trans	-64.1	-47.3	173.4	-179	0	0	0	0	111.1	V464 A886 G887 E888 H892 L893 F894	V464-S890 WeakPolarHBondContact CG2-OG 3.39Å; V464-S890 PolarHBondContact N-OG 3.46Å; A886-S890 WeakPolarHBondContact O-CB 3.43Å; A886-S890 PolarHBondContact O-N 2.82Å; G887-S890 WeakPolarHBondContact O-CB 3.38Å; G887-S890 PolarHBondContact O-N 2.95Å; E888-S890 VanDerWaalsContact C-N 3.3Å; E888-S890 PolarHBondContact O-N 3.41Å; S890-H892 VanDerWaalsContact C-N 3.28Å; S890-H892 PolarHBondContact O-N 2.75Å; S890-L893 PolarHBondContact O-N 3.43Å; S890-F894 WeakPolarHBondContact O-CD2 3.44Å; S890-F894 PolarHBondContact O-N 3.36Å
891	Q	91.4	Very high	90.9	Very high	51 Å²	51	29.8 Å²	29.8	24%	0.238	14%	0.142	C	C	.	.	H	α-helix	trans	-57.6	-43.3	174.4	-72.3	-178.3	-9.7	0	0	111.9	V464 F592 G887 E888 F894 L895	V464-Q891 HydrophobicContact CG2-CB 4.44Å; V464-Q891 HydrophobicContact CG2-CG 3.95Å; F592-Q891 HydrophobicContact CE2-CB 4.44Å; F592-Q891 HydrophobicContact CE2-CG 4.34Å; F592-Q891 WeakPolarHBondContact CZ-O 3.27Å; G887-Q891 PolarHBondContact O-N 2.99Å; E888-Q891 PolarHBondContact O-N 3.12Å; Q891-F894 PolarHBondContact O-N 3.47Å; Q891-L895 WeakPolarHBondContact O-CB 3.49Å; Q891-L895 PolarHBondContact O-N 2.86Å
892	H	89.1	Confident	90.8	Very high	20 Å²	20	33.7 Å²	33.7	9%	0.093	15%	0.153	C	C	.	.	H	α-helix	trans	-62.4	-45.3	178.2	-175.9	-82.2	0	0	0	112.6	Q192 E888 A889 S890 F894 L895 T896 P1011	Q192-H892 PolarHBondContact NE2-CD2 3.3Å; Q192-H892 PolarHBondContact NE2-NE2 3.2Å; E888-H892 PolarHBondContact O-N 3.21Å; A889-H892 PolarHBondContact O-N 2.9Å; S890-H892 VanDerWaalsContact C-N 3.28Å; S890-H892 PolarHBondContact O-N 2.75Å; H892-F894 PolarHBondContact O-N 3.02Å; H892-L895 PolarHBondContact O-N 3.39Å; H892-T896 WeakPolarHBondContact O-CB 3.3Å; H892-T896 PolarHBondContact O-N 3.47Å; H892-T896 PolarHBondContact O-OG1 2.93Å; H892-P1011 WeakPolarHBondContact CE1-CD 3.37Å; H892-P1011 VanDerWaalsContact NE2-CD 3.26Å; H892-P1011 WeakPolarHBondContact NE2-CD 3.41Å; H892-P1011 VanDerWaalsContact NE2-CG 3.28Å; H892-P1011 WeakPolarHBondContact NE2-CG 3.4Å
893	L	89.8	Confident	90.6	Very high	19 Å²	19	34.1 Å²	34.1	10%	0.099	16%	0.162	C	C	.	.	H	α-helix	trans	-56.5	-49.4	175.9	172.1	64.9	0	0	0	111.3	A358 I362 W613 A889 S890 T896 A897 L1009	A358-L893 HydrophobicContact CB-CD1 3.89Å; A358-L893 HydrophobicContact CB-CD2 3.59Å; A358-L893 HydrophobicContact CB-CG 4.38Å; I362-L893 HydrophobicContact CD1-CB 4.1Å; I362-L893 HydrophobicContact CD1-CD2 3.76Å; W613-L893 HydrophobicContact CH2-CD1 4.19Å; W613-L893 HydrophobicContact CH2-CG 4.36Å; W613-L893 HydrophobicContact CZ3-CD1 4.48Å; W613-L893 HydrophobicContact CZ3-CG 4.28Å; A889-L893 WeakPolarHBondContact O-CB 3.3Å; A889-L893 PolarHBondContact O-N 2.84Å; S890-L893 PolarHBondContact O-N 3.43Å; L893-T896 PolarHBondContact O-N 3.2Å; L893-A897 PolarHBondContact O-N 2.92Å; L893-L1009 HydrophobicContact CD1-CD1 4.39Å
894	F	91.5	Very high	90.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.6	-39.3	-177.4	-84.1	-105	0	0	0	112.4	L355 V464 Q465 F592 F594 P614 S890 Q891 H892 T896 A897 C898	L355-F894 HydrophobicContact CD1-CE1 4.05Å; L355-F894 HydrophobicContact CD1-CE2 3.64Å; L355-F894 HydrophobicContact CD1-CZ 3.31Å; L355-F894 HydrophobicContact CD2-CE1 4.44Å; L355-F894 HydrophobicContact CD2-CZ 4.13Å; L355-F894 HydrophobicContact CG-CZ 4.32Å; V464-F894 HydrophobicContact CB-CD1 4.09Å; V464-F894 HydrophobicContact CB-CD2 3.77Å; V464-F894 HydrophobicContact CB-CE1 4.26Å; V464-F894 HydrophobicContact CB-CE2 3.88Å; V464-F894 HydrophobicContact CB-CG 3.85Å; V464-F894 HydrophobicContact CB-CZ 4.12Å; V464-F894 HydrophobicContact CG1-CB 4.28Å; V464-F894 HydrophobicContact CG1-CD1 3.6Å; V464-F894 HydrophobicContact CG1-CD2 4.19Å; V464-F894 HydrophobicContact CG1-CE1 3.93Å; V464-F894 HydrophobicContact CG1-CE2 4.41Å; V464-F894 HydrophobicContact CG1-CG 3.75Å; V464-F894 HydrophobicContact CG1-CZ 4.29Å; V464-F894 HydrophobicContact CG2-CB 4.21Å; V464-F894 HydrophobicContact CG2-CD2 3.93Å; V464-F894 HydrophobicContact CG2-CE2 4.47Å; V464-F894 HydrophobicContact CG2-CG 4.02Å; Q465-F894 HydrophobicContact CB-CE1 4.28Å; Q465-F894 HydrophobicContact CB-CZ 3.81Å; Q465-F894 HydrophobicContact CG-CZ 4.03Å; Q465-F894 VanDerWaalsContact OE1-CE2 3.28Å; Q465-F894 VanDerWaalsContact OE1-CZ 3.27Å; F592-F894 HydrophobicContact CD1-CB 3.77Å; F592-F894 HydrophobicContact CD2-CB 4.37Å; F592-F894 VanDerWaalsContact CE1-C 3.49Å; F592-F894 HydrophobicContact CE1-CB 3.45Å; F592-F894 VanDerWaalsContact CE1-CB 3.45Å; F592-F894 HydrophobicContact CE2-CB 4.08Å; F592-F894 HydrophobicContact CG-CB 4.21Å; F592-F894 HydrophobicContact CZ-CB 3.61Å; F594-F894 HydrophobicContact CE1-CD1 4.37Å; F594-F894 AromaticContact CE1-CE1 3.6Å; F594-F894 HydrophobicContact CE1-CE1 3.6Å; F594-F894 HydrophobicContact CE1-CZ 4.46Å; F594-F894 AromaticContact CZ-CD1 3.99Å; F594-F894 HydrophobicContact CZ-CD1 3.99Å; F594-F894 AromaticContact CZ-CE1 3.41Å; F594-F894 HydrophobicContact CZ-CE1 3.41Å; F594-F894 VanDerWaalsContact CZ-CE1 3.41Å; F594-F894 HydrophobicContact CZ-CZ 4.21Å; P614-F894 HydrophobicContact CB-CD1 4.36Å; P614-F894 HydrophobicContact CG-CD1 3.77Å; S890-F894 WeakPolarHBondContact O-CD2 3.44Å; S890-F894 PolarHBondContact O-N 3.36Å; Q891-F894 PolarHBondContact O-N 3.47Å; H892-F894 PolarHBondContact O-N 3.02Å; F894-T896 VanDerWaalsContact C-N 3.27Å; F894-T896 PolarHBondContact O-N 3.21Å; F894-A897 PolarHBondContact O-N 3.14Å; F894-C898 PolarHBondContact O-N 3.35Å; F894-C898 PolarHBondContact O-SG 2.86Å; F894-C898 VanDerWaalsContact O-SG 3.41Å
895	L	89.9	Confident	90.3	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-59	-43.2	173.1	172.2	65.4	0	0	0	111.1	L590 F592 F617 Q891 H892 A897 C898 L899 L928	L590-L895 HydrophobicContact CD1-CB 4.4Å; L590-L895 HydrophobicContact CD1-CD1 4.19Å; L590-L895 HydrophobicContact CD1-CD2 4.2Å; F592-L895 HydrophobicContact CE1-CB 4.34Å; F592-L895 HydrophobicContact CZ-CB 4.28Å; F617-L895 HydrophobicContact CD1-CD1 3.98Å; F617-L895 HydrophobicContact CD2-CD1 4.08Å; F617-L895 HydrophobicContact CE1-CD1 3.71Å; F617-L895 HydrophobicContact CE2-CD1 3.79Å; F617-L895 HydrophobicContact CG-CD1 4.17Å; F617-L895 HydrophobicContact CZ-CD1 3.61Å; Q891-L895 WeakPolarHBondContact O-CB 3.49Å; Q891-L895 PolarHBondContact O-N 2.86Å; H892-L895 PolarHBondContact O-N 3.39Å; L895-A897 VanDerWaalsContact C-N 3.35Å; L895-C898 WeakPolarHBondContact O-CB 3.39Å; L895-C898 PolarHBondContact O-N 3.22Å; L895-L899 HydrophobicContact CG-CD1 4.49Å; L895-L899 PolarHBondContact O-N 3Å; L895-L928 HydrophobicContact CD2-CD1 3.36Å; L895-L928 HydrophobicContact CD2-CD2 3.73Å; L895-L928 HydrophobicContact CD2-CG 4.08Å
896	T	88.5	Confident	90.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-73.7	-32.1	-176.4	-50	0	0	0	0	111.7	H892 L893 F894 L899 R900 C1004 L1009	H892-T896 WeakPolarHBondContact O-CB 3.3Å; H892-T896 PolarHBondContact O-N 3.47Å; H892-T896 PolarHBondContact O-OG1 2.93Å; L893-T896 PolarHBondContact O-N 3.2Å; F894-T896 VanDerWaalsContact C-N 3.27Å; F894-T896 PolarHBondContact O-N 3.21Å; T896-L899 PolarHBondContact O-N 2.99Å; T896-R900 PolarHBondContact O-N 2.77Å; T896-C1004 HydrophobicContact CG2-CB 4.04Å; T896-C1004 WeakPolarHBondContact CG2-SG 3.33Å; T896-L1009 HydrophobicContact CG2-CB 4.16Å; T896-L1009 WeakPolarHBondContact CG2-O 3.46Å
897	A	87.8	Confident	90.2	Very high	1 Å²	1	31 Å²	31	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-43.8	168.3	0	0	0	0	0	112	W613 L893 F894 L895 L899 R900 D901	W613-A897 HydrophobicContact CD2-CB 4.15Å; W613-A897 HydrophobicContact CE3-CB 3.42Å; W613-A897 VanDerWaalsContact CE3-CB 3.42Å; W613-A897 HydrophobicContact CH2-CB 4.3Å; W613-A897 HydrophobicContact CZ3-CB 3.51Å; L893-A897 PolarHBondContact O-N 2.92Å; F894-A897 PolarHBondContact O-N 3.14Å; L895-A897 VanDerWaalsContact C-N 3.35Å; A897-L899 VanDerWaalsContact C-N 3.35Å; A897-L899 PolarHBondContact O-N 3.06Å; A897-R900 WeakPolarHBondContact O-CB 3.32Å; A897-R900 PolarHBondContact O-N 3.32Å; A897-D901 PolarHBondContact O-N 3.47Å
898	C	89.9	Confident	90.2	Very high	3 Å²	3	32 Å²	32	2%	0.02	16%	0.16	C	C	.	.	H	α-helix	trans	-57.8	-46.5	173.9	-70.8	0	0	0	0	111.8	P614 F617 F894 L895 R900 D901 Y902	P614-C898 WeakPolarHBondContact CG-SG 3.5Å; F617-C898 HydrophobicContact CD1-CB 3.75Å; F617-C898 HydrophobicContact CE1-CB 4.16Å; F894-C898 PolarHBondContact O-N 3.35Å; F894-C898 PolarHBondContact O-SG 2.86Å; F894-C898 VanDerWaalsContact O-SG 3.41Å; L895-C898 WeakPolarHBondContact O-CB 3.39Å; L895-C898 PolarHBondContact O-N 3.22Å; C898-R900 VanDerWaalsContact C-N 3.3Å; C898-R900 PolarHBondContact O-N 3.1Å; C898-D901 PolarHBondContact O-N 3.37Å; C898-Y902 WeakPolarHBondContact O-CB 3.36Å; C898-Y902 WeakPolarHBondContact O-CD2 3.46Å; C898-Y902 PolarHBondContact O-N 2.85Å
899	L	89.9	Confident	90.4	Very high	6 Å²	6	29 Å²	29	3%	0.031	15%	0.146	C	C	.	.	H	α-helix	trans	-62.8	-35	178.7	-74.1	173.8	0	0	0	113	L895 T896 A897 G903 F905 V1002 C1004 P1011	L895-L899 HydrophobicContact CG-CD1 4.49Å; L895-L899 PolarHBondContact O-N 3Å; T896-L899 PolarHBondContact O-N 2.99Å; A897-L899 VanDerWaalsContact C-N 3.35Å; A897-L899 PolarHBondContact O-N 3.06Å; L899-G903 CarbonylContact O-C 3.57Å; L899-G903 VanDerWaalsContact O-CA 3.31Å; L899-G903 WeakPolarHBondContact O-CA 3.29Å; L899-G903 PolarHBondContact O-N 3.28Å; L899-F905 HydrophobicContact CD2-CD1 3.53Å; L899-F905 HydrophobicContact CD2-CE1 3.66Å; L899-V1002 HydrophobicContact CD1-CG1 4Å; L899-V1002 HydrophobicContact CD2-CG1 4.39Å; L899-C1004 HydrophobicContact CB-CB 3.69Å; L899-P1011 HydrophobicContact CD1-CB 4.15Å
900	R	87.7	Confident	90.6	Very high	56 Å²	56	28.1 Å²	28.1	21%	0.211	14%	0.138	C	C	.	.	H	α-helix	trans	-66.7	-45.8	175.3	-178.7	-166.8	66.9	-157.4	-8.3	111.5	T896 A897 C898 C1004	T896-R900 PolarHBondContact O-N 2.77Å; A897-R900 WeakPolarHBondContact O-CB 3.32Å; A897-R900 PolarHBondContact O-N 3.32Å; C898-R900 VanDerWaalsContact C-N 3.3Å; C898-R900 PolarHBondContact O-N 3.1Å; R900-C1004 HydrophobicContact CB-CB 4.27Å
901	D	86.7	Confident	90.7	Very high	76 Å²	76	28 Å²	28	41%	0.406	14%	0.138	S	C	.	.	H	α-helix	trans	-87.8	-32.6	-168	-64.8	-15.5	0	0	0	113	A897 C898	A897-D901 PolarHBondContact O-N 3.47Å; C898-D901 PolarHBondContact O-N 3.37Å
902	Y	87.7	Confident	90.7	Very high	141 Å²	141	26 Å²	26	55%	0.553	13%	0.129	S	C	*	.	H	α-helix	trans	-107.5	-7.3	-177.4	-63.3	-76.3	0	0	0	113.7	P614 Q615 C898	P614-Y902 WeakPolarHBondContact O-CE2 3.36Å; Q615-Y902 VanDerWaalsContact C-CE2 3.44Å; Q615-Y902 VanDerWaalsContact CA-OH 3.26Å; Q615-Y902 WeakPolarHBondContact CA-OH 3.45Å; Q615-Y902 WeakPolarHBondContact O-CE2 3.43Å; Q615-Y902 VanDerWaalsContact O-CZ 3.28Å; C898-Y902 WeakPolarHBondContact O-CB 3.36Å; C898-Y902 WeakPolarHBondContact O-CD2 3.46Å; C898-Y902 PolarHBondContact O-N 2.85Å
903	G	87.8	Confident	90.8	Very high	25 Å²	25	27.6 Å²	27.6	26%	0.258	14%	0.138	S	C	.	.			trans	89.3	-173.4	178.1	0	0	0	0	0	114	L899	L899-G903 CarbonylContact O-C 3.57Å; L899-G903 VanDerWaalsContact O-CA 3.31Å; L899-G903 WeakPolarHBondContact O-CA 3.29Å; L899-G903 PolarHBondContact O-N 3.28Å
904	P	91.4	Very high	90.8	Very high	52 Å²	52	27 Å²	27	34%	0.338	14%	0.135	S	C	.	.			trans	-74.2	161.5	-174.9	35.3	-40.3	0	0	0	112.6	R1001 V1002 F1003	P904-R1001 HydrophobicContact CB-CG 4.01Å; P904-V1002 CarbonylContact C-O 3.57Å; P904-V1002 WeakPolarHBondContact CA-O 3.48Å; P904-V1002 WeakPolarHBondContact CB-O 3.24Å; P904-F1003 HydrophobicContact CB-CB 3.9Å
905	F	90.8	Very high	90.5	Very high	32 Å²	32	28.9 Å²	28.9	14%	0.14	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	163.3	164.4	68.5	-98	0	0	0	111.1	F617 L899 E907 I923 F926 L928 V1002	F617-F905 HydrophobicContact CZ-CD1 4.12Å; F617-F905 AromaticContact CZ-CE1 3.87Å; F617-F905 HydrophobicContact CZ-CE1 3.87Å; L899-F905 HydrophobicContact CD2-CD1 3.53Å; L899-F905 HydrophobicContact CD2-CE1 3.66Å; F905-E907 HydrophobicContact CD2-CB 4.16Å; F905-E907 HydrophobicContact CD2-CG 3.82Å; F905-E907 HydrophobicContact CE2-CB 4.01Å; F905-E907 HydrophobicContact CE2-CG 3.86Å; F905-I923 HydrophobicContact CE2-CG2 4.24Å; F905-F926 HydrophobicContact CD2-CD2 4.48Å; F905-F926 AromaticContact CD2-CE2 3.94Å; F905-F926 HydrophobicContact CD2-CE2 3.94Å; F905-F926 AromaticContact CE2-CD2 3.68Å; F905-F926 HydrophobicContact CE2-CD2 3.68Å; F905-F926 AromaticContact CE2-CE2 3.59Å; F905-F926 HydrophobicContact CE2-CE2 3.59Å; F905-F926 AromaticContact CZ-CD2 3.79Å; F905-F926 HydrophobicContact CZ-CD2 3.79Å; F905-F926 AromaticContact CZ-CE2 3.98Å; F905-F926 HydrophobicContact CZ-CE2 3.98Å; F905-L928 HydrophobicContact CZ-CD2 4.4Å; F905-V1002 HydrophobicContact CD1-CB 4.28Å; F905-V1002 HydrophobicContact CD1-CG1 4.48Å; F905-V1002 HydrophobicContact CD2-CB 4.26Å; F905-V1002 HydrophobicContact CD2-CG2 4.47Å; F905-V1002 HydrophobicContact CE1-CB 3.87Å; F905-V1002 HydrophobicContact CE1-CG1 3.73Å; F905-V1002 HydrophobicContact CE2-CB 3.83Å; F905-V1002 HydrophobicContact CE2-CG1 4.39Å; F905-V1002 HydrophobicContact CE2-CG2 3.78Å; F905-V1002 HydrophobicContact CG-CB 4.46Å; F905-V1002 HydrophobicContact CZ-CB 3.62Å; F905-V1002 HydrophobicContact CZ-CG1 3.67Å; F905-V1002 HydrophobicContact CZ-CG2 3.86Å; F905-V1002 PolarHBondContact N-O 3.29Å; F905-V1002 PolarHBondContact O-N 3.41Å
906	Y	92.8	Very high	90.2	Very high	27 Å²	27	31.8 Å²	31.8	11%	0.106	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.3	-175.9	-65	-98.9	0	0	0	110	C1000 R1001 V1016 H1020 Q1024 N1025	Y906-C1000 WeakPolarHBondContact CA-O 3.38Å; Y906-R1001 HydrophobicContact CD1-CB 3.94Å; Y906-R1001 HydrophobicContact CD1-CG 4.26Å; Y906-R1001 HydrophobicContact CE1-CB 3.76Å; Y906-R1001 HydrophobicContact CE1-CG 3.79Å; Y906-R1001 HydrophobicContact CE2-CG 4.49Å; Y906-R1001 WeakPolarHBondContact OH-CD 3.32Å; Y906-R1001 PolarHBondContact OH-NE 3.04Å; Y906-V1016 HydrophobicContact CD1-CG2 4.21Å; Y906-V1016 HydrophobicContact CE1-CG1 4.39Å; Y906-H1020 HydrophobicContact CD1-CB 3.8Å; Y906-H1020 HydrophobicContact CE1-CB 3.81Å; Y906-Q1024 HydrophobicContact CD2-CB 4.36Å; Y906-N1025 PolarHBondContact O-OD1 2.67Å
907	E	92.3	Very high	90.3	Very high	44 Å²	44	35.9 Å²	35.9	21%	0.206	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	163	-177.3	-89.5	-64.1	-169.8	0	0	112.4	F905 I923 S925 F926 C1000	F905-E907 HydrophobicContact CD2-CB 4.16Å; F905-E907 HydrophobicContact CD2-CG 3.82Å; F905-E907 HydrophobicContact CE2-CB 4.01Å; F905-E907 HydrophobicContact CE2-CG 3.86Å; E907-I923 HydrophobicContact CB-CG2 3.74Å; E907-I923 HydrophobicContact CG-CG2 4.17Å; E907-S925 VanDerWaalsContact CD-OG 3.32Å; E907-S925 PolarHBondContact OE1-OG 2.92Å; E907-F926 HydrophobicContact CG-CD2 4.34Å; E907-F926 HydrophobicContact CG-CE2 3.81Å; E907-C1000 PolarHBondContact N-O 3.43Å; E907-C1000 WeakPolarHBondContact O-CA 3.41Å; E907-C1000 WeakPolarHBondContact O-CB 3.09Å; E907-C1000 PolarHBondContact O-N 3.08Å; E907-C1000 VanDerWaalsContact O-O 3.13Å
908	N	93.3	Very high	90.5	Very high	33 Å²	33	39.7 Å²	39.7	18%	0.176	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	133	169.7	-67	-53	0	0	0	110.9	F733 I997 I1021	F733-N908 HydrophobicContact CE1-CB 4.46Å; N908-I997 HydrophobicContact CB-CG2 3.93Å; N908-I1021 VanDerWaalsContact OD1-CD1 3.29Å; N908-I1021 WeakPolarHBondContact OD1-CD1 3.43Å
909	G	94.8	Very high	90.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.9	176.2	0	0	0	0	0	111.5	L922 I997 L998	G909-L922 CarbonylContact C-O 3.54Å; G909-L922 WeakPolarHBondContact CA-O 3.3Å; G909-I997 WeakPolarHBondContact O-CA 3.4Å; G909-L998 PolarHBondContact N-O 2.89Å; G909-L998 PolarHBondContact O-N 3.21Å
910	T	95.7	Very high	90.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.4	173.2	-54.1	0	0	0	0	110.2	L737 C740 M912 I921 L922 L995 S996 I997	L737-T910 HydrophobicContact CD2-CG2 4.34Å; C740-T910 HydrophobicContact CB-CG2 3.76Å; C740-T910 VanDerWaalsContact SG-CG2 3.5Å; T910-M912 PolarHBondContact O-N 3.13Å; T910-I921 WeakPolarHBondContact O-CA 3.42Å; T910-L922 PolarHBondContact N-O 3.26Å; T910-L922 PolarHBondContact O-N 2.92Å; T910-L995 HydrophobicContact CG2-CD2 4.42Å; T910-S996 WeakPolarHBondContact CA-O 3.43Å; T910-I997 HydrophobicContact CG2-CG1 4.4Å
911	V	95.4	Very high	91.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	115.4	177.3	-178.9	0	0	0	0	109.9	I919 I992 L995 S996 L998	V911-I919 HydrophobicContact CG1-CD1 4.14Å; V911-I919 HydrophobicContact CG1-CG1 4.09Å; V911-I919 HydrophobicContact CG2-CD1 4.03Å; V911-I992 HydrophobicContact CG2-CG2 3.83Å; V911-L995 WeakPolarHBondContact O-CA 3.35Å; V911-L995 PolarHBondContact O-N 2.84Å; V911-S996 PolarHBondContact N-O 3.47Å; V911-L998 HydrophobicContact CG2-CD1 3.81Å
912	M	92.2	Very high	91.7	Very high	8 Å²	8	35 Å²	35	4%	0.039	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-36.8	179.4	-70.2	-162.4	-67.2	0	0	113.4	Y743 M744 T910 R920 L922 T929	Y743-M912 HydrophobicContact CD1-CE 4.24Å; Y743-M912 HydrophobicContact CD1-SD 3.44Å; Y743-M912 WeakPolarHBondContact CD1-SD 3.37Å; Y743-M912 HydrophobicContact CE1-CE 3.93Å; Y743-M912 HydrophobicContact CE1-SD 3.74Å; M744-M912 WeakPolarHBondContact CE-O 3.3Å; M744-M912 HydrophobicContact CG-CG 4.44Å; M744-M912 HydrophobicContact CG-SD 4.36Å; T910-M912 PolarHBondContact O-N 3.13Å; M912-R920 HydrophobicContact CE-CG 3.73Å; M912-R920 PolarHBondContact N-O 3.2Å; M912-L922 HydrophobicContact CE-CB 4.07Å; M912-L922 HydrophobicContact CG-CB 3.82Å; M912-L922 HydrophobicContact SD-CB 3.76Å; M912-L922 HydrophobicContact SD-CD2 4.49Å; M912-T929 HydrophobicContact CE-CG2 3.28Å; M912-T929 WeakPolarHBondContact CE-OG1 3.21Å
913	D	90.6	Very high	92	Very high	54 Å²	54	28.3 Å²	28.3	29%	0.289	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	148.1	-176	-158.6	1.8	0	0	0	110.3	R920	D913-R920 HydrophobicContact CB-CB 4.14Å; D913-R920 PolarHBondContact N-O 3.38Å; D913-R920 PolarHBondContact O-N 2.93Å
914	L	89.4	Confident	92	Very high	7 Å²	7	27.3 Å²	27.3	4%	0.037	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	124.7	179.4	-167.3	69.5	0	0	0	109.9	I919 I934 Y970 I972 I994	L914-I919 HydrophobicContact CD1-CB 3.88Å; L914-I919 HydrophobicContact CD1-CD1 4.04Å; L914-I919 HydrophobicContact CD1-CG1 3.83Å; L914-I934 HydrophobicContact CD1-CD1 3.95Å; L914-I934 HydrophobicContact CD1-CG1 4.33Å; L914-Y970 WeakPolarHBondContact CD2-O 3.47Å; L914-Y970 WeakPolarHBondContact O-CD2 3.49Å; L914-I972 HydrophobicContact CD1-CD1 3.71Å; L914-I972 HydrophobicContact CD1-CG1 4.5Å; L914-I972 HydrophobicContact CD2-CD1 4.16Å; L914-I972 HydrophobicContact CD2-CG1 4.14Å; L914-I994 HydrophobicContact CB-CG1 4.33Å
915	S	85.8	Confident	91.8	Very high	39 Å²	39	26.9 Å²	26.9	27%	0.273	15%	0.148	S	C	.	.			trans	-121.9	-174.6	-177.5	71.6	0	0	0	0	111.3	N917 K918 I934 H946	S915-N917 PolarHBondContact O-N 2.86Å; S915-K918 PolarHBondContact N-O 2.93Å; S915-K918 WeakPolarHBondContact OG-CA 3.27Å; S915-K918 WeakPolarHBondContact OG-CB 3.38Å; S915-K918 PolarHBondContact OG-N 3.04Å; S915-K918 PolarHBondContact OG-O 2.85Å; S915-I934 WeakPolarHBondContact O-CD1 3.18Å; S915-H946 PolarHBondContact O-CE1 2.97Å; S915-H946 PolarHBondContact O-NE2 3.03Å
916	A	83.7	Confident	91.6	Very high	63 Å²	63	27.2 Å²	27.2	52%	0.521	15%	0.149	S	C	.	.	S	Bend	trans	-55	-37.4	179.9	0	0	0	0	0	113.9	H946	A916-H946 PolarHBondContact O-CE1 3.03Å; A916-H946 PolarHBondContact O-ND1 2.98Å
917	N	90.3	Very high	91.2	Very high	87 Å²	87	27.2 Å²	27.2	47%	0.465	16%	0.158	S	C	.	.	S	Bend	trans	-134.5	-13.8	-172.3	62.6	-26.3	0	0	0	114.3	S915 E933 I934	S915-N917 PolarHBondContact O-N 2.86Å; N917-E933 CarbonylContact O-C 3.56Å; N917-E933 WeakPolarHBondContact O-CA 3.44Å; N917-I934 PolarHBondContact O-N 3.46Å
918	K	92.3	Very high	91	Very high	81 Å²	81	25.9 Å²	25.9	35%	0.352	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.2	-175.9	-63.3	-180	166.3	-164.8	0	112.7	S915 E931 T932	S915-K918 PolarHBondContact N-O 2.93Å; S915-K918 WeakPolarHBondContact OG-CA 3.27Å; S915-K918 WeakPolarHBondContact OG-CB 3.38Å; S915-K918 PolarHBondContact OG-N 3.04Å; S915-K918 PolarHBondContact OG-O 2.85Å; K918-E931 HydrophobicContact CB-CG 4.41Å; K918-E931 HydrophobicContact CD-CG 4.17Å; K918-E931 VanDerWaalsContact CD-OE1 3.28Å; K918-E931 WeakPolarHBondContact CD-OE1 3.34Å; K918-E931 IonicContact NZ-OE1 2.97Å; K918-E931 PolarHBondContact NZ-OE1 2.99Å; K918-T932 WeakPolarHBondContact CA-O 3.43Å
919	I	94.2	Very high	90.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.3	171.4	-171.9	169.7	0	0	0	109.2	V911 L914 I921 E931 T932 I934 F937 I992	V911-I919 HydrophobicContact CG1-CD1 4.14Å; V911-I919 HydrophobicContact CG1-CG1 4.09Å; V911-I919 HydrophobicContact CG2-CD1 4.03Å; L914-I919 HydrophobicContact CD1-CB 3.88Å; L914-I919 HydrophobicContact CD1-CD1 4.04Å; L914-I919 HydrophobicContact CD1-CG1 3.83Å; I919-I921 HydrophobicContact CD1-CD1 4.2Å; I919-I921 HydrophobicContact CD1-CG1 4.3Å; I919-I921 HydrophobicContact CG1-CD1 4.43Å; I919-I921 HydrophobicContact CG1-CG1 4.08Å; I919-E931 WeakPolarHBondContact O-CA 3.35Å; I919-T932 HydrophobicContact CG2-CG2 3.63Å; I919-T932 PolarHBondContact N-O 3.34Å; I919-T932 PolarHBondContact O-N 3.23Å; I919-I934 HydrophobicContact CB-CG1 4.14Å; I919-I934 HydrophobicContact CG2-CG1 4.41Å; I919-F937 HydrophobicContact CD1-CD1 3.95Å; I919-F937 HydrophobicContact CD1-CE1 3.85Å; I919-F937 HydrophobicContact CD1-CZ 4.43Å; I919-F937 HydrophobicContact CG2-CB 3.83Å; I919-F937 HydrophobicContact CG2-CD1 4.13Å; I919-F937 HydrophobicContact CG2-CD2 4.39Å; I919-F937 HydrophobicContact CG2-CG 3.85Å; I919-I992 HydrophobicContact CD1-CG2 4.33Å
920	R	95	Very high	90.8	Very high	36 Å²	36	26 Å²	26	14%	0.136	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.6	175.6	-167.2	-178	-77.3	155.9	-7.6	109.9	S195 M912 D913 T929 I930 E931	S195-R920 PolarHBondContact OG-NH1 3.3Å; S195-R920 PolarHBondContact OG-NH2 3.03Å; M912-R920 HydrophobicContact CE-CG 3.73Å; M912-R920 PolarHBondContact N-O 3.2Å; D913-R920 HydrophobicContact CB-CB 4.14Å; D913-R920 PolarHBondContact N-O 3.38Å; D913-R920 PolarHBondContact O-N 2.93Å; R920-T929 HydrophobicContact CG-CG2 3.75Å; R920-I930 CarbonylContact C-O 3.55Å; R920-I930 WeakPolarHBondContact CA-O 3.32Å; R920-E931 HydrophobicContact CG-CB 4.34Å; R920-E931 IonicContact CZ-OE2 2.64Å; R920-E931 IonicContact NE-OE2 2.78Å; R920-E931 PolarHBondContact NE-OE2 2.99Å; R920-E931 VanDerWaalsContact NE-OE2 3.12Å; R920-E931 IonicContact NH2-OE2 3.12Å; R920-E931 PolarHBondContact NH2-OE2 3.3Å
921	I	95.5	Very high	90.7	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.9	-173.2	-59.2	-174.6	0	0	0	109.8	T910 I919 I923 T929 I930 F937 V1013	T910-I921 WeakPolarHBondContact O-CA 3.42Å; I919-I921 HydrophobicContact CD1-CD1 4.2Å; I919-I921 HydrophobicContact CD1-CG1 4.3Å; I919-I921 HydrophobicContact CG1-CD1 4.43Å; I919-I921 HydrophobicContact CG1-CG1 4.08Å; I921-I923 HydrophobicContact CG2-CD1 4.12Å; I921-T929 WeakPolarHBondContact O-CA 3.42Å; I921-I930 PolarHBondContact N-O 2.79Å; I921-I930 PolarHBondContact O-N 2.88Å; I921-F937 HydrophobicContact CD1-CD2 3.78Å; I921-F937 HydrophobicContact CD1-CE1 4.27Å; I921-F937 HydrophobicContact CD1-CE2 3.13Å; I921-F937 HydrophobicContact CD1-CZ 3.42Å; I921-F937 VanDerWaalsContact CD1-CZ 3.42Å; I921-V1013 HydrophobicContact CD1-CG1 4Å; I921-V1013 HydrophobicContact CD1-CG2 4.35Å
922	L	94.6	Very high	90.5	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.4	168.6	179	69.6	0	0	0	109.9	C740 G909 T910 M912 A924 L928	C740-L922 VanDerWaalsContact CA-CD2 3.44Å; C740-L922 HydrophobicContact CB-CD2 3.9Å; G909-L922 CarbonylContact C-O 3.54Å; G909-L922 WeakPolarHBondContact CA-O 3.3Å; T910-L922 PolarHBondContact N-O 3.26Å; T910-L922 PolarHBondContact O-N 2.92Å; M912-L922 HydrophobicContact CE-CB 4.07Å; M912-L922 HydrophobicContact CG-CB 3.82Å; M912-L922 HydrophobicContact SD-CB 3.76Å; M912-L922 HydrophobicContact SD-CD2 4.49Å; L922-A924 PolarHBondContact O-N 3.42Å; L922-L928 WeakPolarHBondContact CA-O 3.37Å
923	I	93.5	Very high	90.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	98.3	165	-49.3	-58.8	0	0	0	107.1	F905 E907 I921 S925 F926 G927 L928 C1000 V1002	F905-I923 HydrophobicContact CE2-CG2 4.24Å; E907-I923 HydrophobicContact CB-CG2 3.74Å; E907-I923 HydrophobicContact CG-CG2 4.17Å; I921-I923 HydrophobicContact CG2-CD1 4.12Å; I923-S925 VanDerWaalsContact C-N 3.34Å; I923-S925 PolarHBondContact O-N 2.8Å; I923-F926 HydrophobicContact CG2-CD2 3.9Å; I923-F926 PolarHBondContact O-N 3.04Å; I923-G927 PolarHBondContact O-N 2.61Å; I923-L928 HydrophobicContact CB-CB 4.25Å; I923-L928 PolarHBondContact N-O 2.77Å; I923-L928 PolarHBondContact O-N 2.88Å; I923-L928 VanDerWaalsContact O-N 3.13Å; I923-C1000 HydrophobicContact CD1-CB 4.23Å; I923-V1002 HydrophobicContact CD1-CG2 3.93Å; I923-V1002 HydrophobicContact CG1-CG2 3.96Å
924	A	88.4	Confident	90.6	Very high	3 Å²	3	31.2 Å²	31.2	3%	0.025	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-64.5	-37.6	-169.9	0	0	0	0	0	112.2	L588 D736 Y739 L922 F926 G927	L588-A924 WeakPolarHBondContact CD1-O 3.4Å; D736-A924 HydrophobicContact CB-CB 4.06Å; D736-A924 VanDerWaalsContact OD1-CB 3.3Å; D736-A924 WeakPolarHBondContact OD1-CB 3.42Å; Y739-A924 HydrophobicContact CD2-CB 4.36Å; L922-A924 PolarHBondContact O-N 3.42Å; A924-F926 PolarHBondContact O-N 3.09Å; A924-F926 VanDerWaalsContact O-N 3.15Å; A924-G927 PolarHBondContact O-N 2.71Å
925	S	86.2	Confident	90.7	Very high	43 Å²	43	37.9 Å²	37.9	30%	0.301	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-57.5	-30.8	179	56.8	0	0	0	0	113.4	V619 E907 I923	V619-S925 WeakPolarHBondContact CG2-O 3.44Å; E907-S925 VanDerWaalsContact CD-OG 3.32Å; E907-S925 PolarHBondContact OE1-OG 2.92Å; I923-S925 VanDerWaalsContact C-N 3.34Å; I923-S925 PolarHBondContact O-N 2.8Å
926	F	87	Confident	91	Very high	40 Å²	40	39.9 Å²	39.9	18%	0.175	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-113.2	-0.8	-179.6	-61.8	-66.9	0	0	0	114.2	L590 F617 V619 F905 E907 I923 A924 L928	L590-F926 HydrophobicContact CD2-CB 4.36Å; L590-F926 HydrophobicContact CD2-CD1 4.26Å; F617-F926 HydrophobicContact CD2-CD1 4.24Å; F617-F926 HydrophobicContact CD2-CE1 4.28Å; F617-F926 AromaticContact CE2-CD1 3.58Å; F617-F926 HydrophobicContact CE2-CD1 3.58Å; F617-F926 AromaticContact CE2-CE1 3.57Å; F617-F926 HydrophobicContact CE2-CE1 3.57Å; F617-F926 HydrophobicContact CE2-CG 4.12Å; F617-F926 HydrophobicContact CE2-CZ 4.12Å; F617-F926 HydrophobicContact CZ-CE1 4.4Å; V619-F926 HydrophobicContact CG2-CD1 3.72Å; V619-F926 HydrophobicContact CG2-CE1 4.21Å; F905-F926 HydrophobicContact CD2-CD2 4.48Å; F905-F926 AromaticContact CD2-CE2 3.94Å; F905-F926 HydrophobicContact CD2-CE2 3.94Å; F905-F926 AromaticContact CE2-CD2 3.68Å; F905-F926 HydrophobicContact CE2-CD2 3.68Å; F905-F926 AromaticContact CE2-CE2 3.59Å; F905-F926 HydrophobicContact CE2-CE2 3.59Å; F905-F926 AromaticContact CZ-CD2 3.79Å; F905-F926 HydrophobicContact CZ-CD2 3.79Å; F905-F926 AromaticContact CZ-CE2 3.98Å; F905-F926 HydrophobicContact CZ-CE2 3.98Å; E907-F926 HydrophobicContact CG-CD2 4.34Å; E907-F926 HydrophobicContact CG-CE2 3.81Å; I923-F926 HydrophobicContact CG2-CD2 3.9Å; I923-F926 PolarHBondContact O-N 3.04Å; A924-F926 PolarHBondContact O-N 3.09Å; A924-F926 VanDerWaalsContact O-N 3.15Å; F926-L928 HydrophobicContact CB-CB 4.29Å; F926-L928 PolarHBondContact O-N 2.81Å
927	G	85.1	Confident	91.4	Very high	27 Å²	27	36.9 Å²	36.9	28%	0.278	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	26.1	-173.3	0	0	0	0	0	113.6	I923 A924	I923-G927 PolarHBondContact O-N 2.61Å; A924-G927 PolarHBondContact O-N 2.71Å
928	L	87.8	Confident	91.5	Very high	16 Å²	16	32.8 Å²	32.8	8%	0.084	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.7	-172.8	178.8	63.6	0	0	0	110.6	L895 F905 L922 I923 F926 I930 V1002	L895-L928 HydrophobicContact CD2-CD1 3.36Å; L895-L928 HydrophobicContact CD2-CD2 3.73Å; L895-L928 HydrophobicContact CD2-CG 4.08Å; F905-L928 HydrophobicContact CZ-CD2 4.4Å; L922-L928 WeakPolarHBondContact CA-O 3.37Å; I923-L928 HydrophobicContact CB-CB 4.25Å; I923-L928 PolarHBondContact N-O 2.77Å; I923-L928 PolarHBondContact O-N 2.88Å; I923-L928 VanDerWaalsContact O-N 3.13Å; F926-L928 HydrophobicContact CB-CB 4.29Å; F926-L928 PolarHBondContact O-N 2.81Å; L928-I930 HydrophobicContact CD1-CG1 4.49Å; L928-I930 HydrophobicContact CD2-CD1 3.73Å; L928-I930 HydrophobicContact CD2-CG1 3.99Å; L928-I930 HydrophobicContact CG-CD1 4.17Å; L928-I930 HydrophobicContact CG-CG1 3.86Å; L928-V1002 HydrophobicContact CD2-CG1 4.19Å
929	T	91.2	Very high	91.3	Very high	30 Å²	30	36.4 Å²	36.4	18%	0.184	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.9	171.8	-64.5	0	0	0	0	109.9	Y743 M912 R920 I921	Y743-T929 WeakPolarHBondContact CE1-OG1 3.45Å; Y743-T929 PolarHBondContact OH-OG1 3.48Å; M912-T929 HydrophobicContact CE-CG2 3.28Å; M912-T929 WeakPolarHBondContact CE-OG1 3.21Å; R920-T929 HydrophobicContact CG-CG2 3.75Å; I921-T929 WeakPolarHBondContact O-CA 3.42Å
930	I	92.8	Very high	90.8	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.4	176	-53.5	176.4	0	0	0	108.6	R920 I921 L928 V1002 P1011 V1013	R920-I930 CarbonylContact C-O 3.55Å; R920-I930 WeakPolarHBondContact CA-O 3.32Å; I921-I930 PolarHBondContact N-O 2.79Å; I921-I930 PolarHBondContact O-N 2.88Å; L928-I930 HydrophobicContact CD1-CG1 4.49Å; L928-I930 HydrophobicContact CD2-CD1 3.73Å; L928-I930 HydrophobicContact CD2-CG1 3.99Å; L928-I930 HydrophobicContact CG-CD1 4.17Å; L928-I930 HydrophobicContact CG-CG1 3.86Å; I930-V1002 HydrophobicContact CD1-CB 4.41Å; I930-V1002 HydrophobicContact CD1-CG1 3.56Å; I930-V1002 HydrophobicContact CD1-CG2 4.04Å; I930-P1011 HydrophobicContact CD1-CB 4.28Å; I930-P1011 HydrophobicContact CG1-CB 4.48Å; I930-V1013 HydrophobicContact CB-CB 4.4Å; I930-V1013 HydrophobicContact CB-CG1 4.1Å; I930-V1013 HydrophobicContact CD1-CB 4.11Å; I930-V1013 HydrophobicContact CG2-CB 4.1Å; I930-V1013 HydrophobicContact CG2-CG1 3.77Å
931	E	93	Very high	90.3	Very high	74 Å²	74	39.2 Å²	39.2	35%	0.346	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.2	169	179.7	175.1	113.7	0	0	108.6	K918 I919 R920	K918-E931 HydrophobicContact CB-CG 4.41Å; K918-E931 HydrophobicContact CD-CG 4.17Å; K918-E931 VanDerWaalsContact CD-OE1 3.28Å; K918-E931 WeakPolarHBondContact CD-OE1 3.34Å; K918-E931 IonicContact NZ-OE1 2.97Å; K918-E931 PolarHBondContact NZ-OE1 2.99Å; I919-E931 WeakPolarHBondContact O-CA 3.35Å; R920-E931 HydrophobicContact CG-CB 4.34Å; R920-E931 IonicContact CZ-OE2 2.64Å; R920-E931 IonicContact NE-OE2 2.78Å; R920-E931 PolarHBondContact NE-OE2 2.99Å; R920-E931 VanDerWaalsContact NE-OE2 3.12Å; R920-E931 IonicContact NH2-OE2 3.12Å; R920-E931 PolarHBondContact NH2-OE2 3.3Å
932	T	92.5	Very high	89.6	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.043	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	162.3	179.3	-171	0	0	0	0	110.4	K918 I919 F937 V1013	K918-T932 WeakPolarHBondContact CA-O 3.43Å; I919-T932 HydrophobicContact CG2-CG2 3.63Å; I919-T932 PolarHBondContact N-O 3.34Å; I919-T932 PolarHBondContact O-N 3.23Å; T932-F937 HydrophobicContact CG2-CB 3.81Å; T932-F937 HydrophobicContact CG2-CD2 4.26Å; T932-F937 HydrophobicContact CG2-CG 4.39Å; T932-V1013 HydrophobicContact CG2-CG1 3.61Å
933	E	92.7	Very high	89.2	Confident	88 Å²	88	52.4 Å²	52.4	41%	0.411	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	142.6	170.8	-61.2	-157.4	169.2	0	0	110.7	N917 K935 D936 F937	N917-E933 CarbonylContact O-C 3.56Å; N917-E933 WeakPolarHBondContact O-CA 3.44Å; E933-K935 PolarHBondContact O-N 3.42Å; E933-D936 PolarHBondContact O-N 3.31Å; E933-D936 VanDerWaalsContact O-N 3.17Å; E933-F937 PolarHBondContact O-N 3.06Å
934	I	92.3	Very high	89	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-59.7	-35.5	-179.7	-69.3	168.9	0	0	0	110.8	L914 S915 N917 I919 F937 L938 W944 I972	L914-I934 HydrophobicContact CD1-CD1 3.95Å; L914-I934 HydrophobicContact CD1-CG1 4.33Å; S915-I934 WeakPolarHBondContact O-CD1 3.18Å; N917-I934 PolarHBondContact O-N 3.46Å; I919-I934 HydrophobicContact CB-CG1 4.14Å; I919-I934 HydrophobicContact CG2-CG1 4.41Å; I934-F937 PolarHBondContact O-N 2.95Å; I934-L938 HydrophobicContact CG2-CD1 3.65Å; I934-L938 HydrophobicContact CG2-CG 4.4Å; I934-L938 WeakPolarHBondContact O-CB 3.43Å; I934-L938 WeakPolarHBondContact O-CG 3.09Å; I934-L938 PolarHBondContact O-N 2.79Å; I934-W944 HydrophobicContact CG2-CE3 4.35Å; I934-W944 HydrophobicContact CG2-CH2 4.07Å; I934-W944 HydrophobicContact CG2-CZ3 3.95Å; I934-I972 HydrophobicContact CD1-CD1 4.27Å; I934-I972 HydrophobicContact CG1-CD1 4.34Å; I934-I972 HydrophobicContact CG2-CD1 3.83Å
935	K	91.1	Very high	88.9	Confident	147 Å²	147	62.9 Å²	62.9	64%	0.639	30%	0.3	S	S	*	.	H	α-helix	trans	-61.8	-46	177.8	-67.6	-178.8	178.6	178.5	0	111.6	E933 L938 K939 W944	E933-K935 PolarHBondContact O-N 3.42Å; K935-L938 PolarHBondContact O-N 2.8Å; K935-K939 PolarHBondContact O-N 2.92Å; K935-W944 HydrophobicContact CG-CH2 4.25Å; K935-W944 HydrophobicContact CG-CZ2 4.02Å
936	D	90.8	Very high	88.9	Confident	81 Å²	81	63.2 Å²	63.2	43%	0.433	30%	0.297	S	S	.	.	H	α-helix	trans	-70.3	-39	178.7	-64.5	-31.3	0	0	0	111.2	E933 L938 K939	E933-D936 PolarHBondContact O-N 3.31Å; E933-D936 VanDerWaalsContact O-N 3.17Å; D936-L938 VanDerWaalsContact C-N 3.29Å; D936-L938 PolarHBondContact O-N 2.97Å; D936-K939 WeakPolarHBondContact O-CB 3.3Å; D936-K939 PolarHBondContact O-N 3.2Å
937	F	93.8	Very high	88.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-38.8	176.6	-176.7	-112.4	0	0	0	112.7	I919 I921 T932 E933 I934 I992 L998 V1013 L1015	I919-F937 HydrophobicContact CD1-CD1 3.95Å; I919-F937 HydrophobicContact CD1-CE1 3.85Å; I919-F937 HydrophobicContact CD1-CZ 4.43Å; I919-F937 HydrophobicContact CG2-CB 3.83Å; I919-F937 HydrophobicContact CG2-CD1 4.13Å; I919-F937 HydrophobicContact CG2-CD2 4.39Å; I919-F937 HydrophobicContact CG2-CG 3.85Å; I921-F937 HydrophobicContact CD1-CD2 3.78Å; I921-F937 HydrophobicContact CD1-CE1 4.27Å; I921-F937 HydrophobicContact CD1-CE2 3.13Å; I921-F937 HydrophobicContact CD1-CZ 3.42Å; I921-F937 VanDerWaalsContact CD1-CZ 3.42Å; T932-F937 HydrophobicContact CG2-CB 3.81Å; T932-F937 HydrophobicContact CG2-CD2 4.26Å; T932-F937 HydrophobicContact CG2-CG 4.39Å; E933-F937 PolarHBondContact O-N 3.06Å; I934-F937 PolarHBondContact O-N 2.95Å; F937-I992 HydrophobicContact CE1-CD1 4.05Å; F937-L998 HydrophobicContact CE1-CD1 4.13Å; F937-L998 HydrophobicContact CZ-CD1 4.01Å; F937-V1013 HydrophobicContact CD2-CG1 4.12Å; F937-V1013 HydrophobicContact CE2-CG1 4.43Å; F937-V1013 HydrophobicContact CE2-CG2 4.28Å; F937-L1015 HydrophobicContact CD1-CB 4.29Å; F937-L1015 HydrophobicContact CE1-CB 3.81Å; F937-L1015 HydrophobicContact CE1-CD1 4.32Å; F937-L1015 HydrophobicContact CE1-CD2 4.42Å; F937-L1015 HydrophobicContact CE1-CG 4.41Å; F937-L1015 HydrophobicContact CE2-CB 4.07Å; F937-L1015 HydrophobicContact CZ-CB 3.68Å; F937-L1015 HydrophobicContact CZ-CD1 3.95Å; F937-L1015 HydrophobicContact CZ-CG 4.33Å; F937-L1015 WeakPolarHBondContact O-CB 3.49Å; F937-L1015 PolarHBondContact O-N 3.42Å
938	L	92.1	Very high	88.6	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	19.2	-177	-59.9	171.6	0	0	0	112.9	I934 K935 D936 N940 V941 W944 I972 I992 L1015	I934-L938 HydrophobicContact CG2-CD1 3.65Å; I934-L938 HydrophobicContact CG2-CG 4.4Å; I934-L938 WeakPolarHBondContact O-CB 3.43Å; I934-L938 WeakPolarHBondContact O-CG 3.09Å; I934-L938 PolarHBondContact O-N 2.79Å; K935-L938 PolarHBondContact O-N 2.8Å; D936-L938 VanDerWaalsContact C-N 3.29Å; D936-L938 PolarHBondContact O-N 2.97Å; L938-N940 PolarHBondContact O-N 3.48Å; L938-N940 VanDerWaalsContact O-N 3.12Å; L938-V941 HydrophobicContact CB-CB 4.25Å; L938-V941 HydrophobicContact CB-CG2 4.2Å; L938-V941 HydrophobicContact CD2-CG2 3.96Å; L938-V941 WeakPolarHBondContact O-CB 3.49Å; L938-V941 PolarHBondContact O-N 2.86Å; L938-W944 HydrophobicContact CB-CG 4.24Å; L938-W944 HydrophobicContact CD1-CB 3.88Å; L938-W944 HydrophobicContact CD1-CD2 3.56Å; L938-W944 HydrophobicContact CD1-CE3 3.96Å; L938-W944 HydrophobicContact CD1-CG 3.51Å; L938-W944 HydrophobicContact CG-CG 4.49Å; L938-I972 HydrophobicContact CD1-CD1 4.28Å; L938-I972 HydrophobicContact CD1-CG2 3.76Å; L938-I992 HydrophobicContact CD2-CD1 4.02Å; L938-L1015 HydrophobicContact CD2-CB 4.4Å; L938-L1015 HydrophobicContact CD2-CD2 3.73Å
939	K	87.7	Confident	87.8	Confident	157 Å²	157	67.2 Å²	67.2	68%	0.683	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-32.9	-175.7	-175	176.4	-179.9	177.6	0	113.7	K935 D936 V941	K935-K939 PolarHBondContact O-N 2.92Å; D936-K939 WeakPolarHBondContact O-CB 3.3Å; D936-K939 PolarHBondContact O-N 3.2Å; K939-V941 VanDerWaalsContact C-N 3.35Å
940	N	83.2	Confident	86.5	Confident	83 Å²	83	69.9 Å²	69.9	44%	0.444	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	6.7	-178.1	-56	-42.4	0	0	0	113.6	L938 E1014	L938-N940 PolarHBondContact O-N 3.48Å; L938-N940 VanDerWaalsContact O-N 3.12Å; N940-E1014 VanDerWaalsContact ND2-CD 3.28Å; N940-E1014 PolarHBondContact ND2-OE2 3.39Å
941	V	84.2	Confident	84.7	Confident	13 Å²	13	74.6 Å²	74.6	8%	0.079	36%	0.362	C	S	.	.			trans	-100.5	132	-176.2	175.8	0	0	0	0	110	L938 K939 K943 W944 F974 T975 W976 L1015	L938-V941 HydrophobicContact CB-CB 4.25Å; L938-V941 HydrophobicContact CB-CG2 4.2Å; L938-V941 HydrophobicContact CD2-CG2 3.96Å; L938-V941 WeakPolarHBondContact O-CB 3.49Å; L938-V941 PolarHBondContact O-N 2.86Å; K939-V941 VanDerWaalsContact C-N 3.35Å; V941-K943 PolarHBondContact O-N 3.43Å; V941-W944 HydrophobicContact CG1-CB 4.44Å; V941-F974 HydrophobicContact CG1-CB 3.75Å; V941-F974 HydrophobicContact CG1-CD2 3.78Å; V941-F974 HydrophobicContact CG1-CG 4.21Å; V941-F974 HydrophobicContact CG2-CD2 4.22Å; V941-T975 WeakPolarHBondContact CG1-O 3.25Å; V941-W976 HydrophobicContact CG2-CH2 4.1Å; V941-W976 HydrophobicContact CG2-CZ3 4.07Å; V941-L1015 HydrophobicContact CG2-CD2 3.94Å
942	F	81.9	Confident	82.5	Confident	137 Å²	137	75.7 Å²	75.7	60%	0.601	38%	0.384	S	S	*	.	S	Bend	trans	-59.3	-50.6	-176.3	-179.4	-106.1	0	0	0	113.2	T975 D977	F942-T975 WeakPolarHBondContact CB-O 3.31Å; F942-T975 PolarHBondContact N-O 2.91Å; F942-D977 HydrophobicContact CB-CB 3.96Å; F942-D977 HydrophobicContact CD2-CB 4.06Å; F942-D977 HydrophobicContact CG-CB 4.26Å
943	K	85.8	Confident	80.3	Confident	145 Å²	145	81.6 Å²	81.6	63%	0.63	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.4	136.6	-179.4	-171	175.8	-177.3	176.4	0	110.1	V941 F974 T975	V941-K943 PolarHBondContact O-N 3.43Å; K943-F974 CarbonylContact O-C 3.6Å; K943-F974 VanDerWaalsContact O-CA 3.28Å; K943-F974 WeakPolarHBondContact O-CA 3.35Å; K943-T975 PolarHBondContact N-O 2.91Å; K943-T975 PolarHBondContact O-N 3.44Å; K943-T975 PolarHBondContact O-OG1 3.3Å
944	W	88.9	Confident	78	Confident	89 Å²	89	81.4 Å²	81.4	34%	0.337	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.1	174	58.9	-91.5	0	0	0	111.2	I934 K935 L938 V941 H946 I972 T973 F974	I934-W944 HydrophobicContact CG2-CE3 4.35Å; I934-W944 HydrophobicContact CG2-CH2 4.07Å; I934-W944 HydrophobicContact CG2-CZ3 3.95Å; K935-W944 HydrophobicContact CG-CH2 4.25Å; K935-W944 HydrophobicContact CG-CZ2 4.02Å; L938-W944 HydrophobicContact CB-CG 4.24Å; L938-W944 HydrophobicContact CD1-CB 3.88Å; L938-W944 HydrophobicContact CD1-CD2 3.56Å; L938-W944 HydrophobicContact CD1-CE3 3.96Å; L938-W944 HydrophobicContact CD1-CG 3.51Å; L938-W944 HydrophobicContact CG-CG 4.49Å; V941-W944 HydrophobicContact CG1-CB 4.44Å; W944-H946 HydrophobicContact CZ3-CB 4.07Å; W944-I972 HydrophobicContact CB-CG2 4.15Å; W944-T973 CarbonylContact C-O 3.6Å; W944-T973 WeakPolarHBondContact CA-O 3.19Å; W944-F974 HydrophobicContact CB-CB 3.81Å
945	K	87.4	Confident	75.5	Confident	135 Å²	135	86.9 Å²	86.9	59%	0.587	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	126.2	176.6	-175	-176.6	176	-173.1	0	109.1	N947 I972 T973	K945-N947 WeakPolarHBondContact CD-OD1 3.41Å; K945-N947 VanDerWaalsContact CE-OD1 3.24Å; K945-N947 WeakPolarHBondContact CE-OD1 3.5Å; K945-N947 WeakPolarHBondContact CG-OD1 3.45Å; K945-I972 WeakPolarHBondContact O-CA 3.22Å; K945-T973 PolarHBondContact N-O 3.46Å; K945-T973 PolarHBondContact O-N 3.23Å
946	H	85.1	Confident	73.3	Confident	50 Å²	50	87 Å²	87	23%	0.231	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	118.1	172.5	-166.3	-136.6	0	0	0	110	S915 A916 W944 Y970	S915-H946 PolarHBondContact O-CE1 2.97Å; S915-H946 PolarHBondContact O-NE2 3.03Å; A916-H946 PolarHBondContact O-CE1 3.03Å; A916-H946 PolarHBondContact O-ND1 2.98Å; W944-H946 HydrophobicContact CZ3-CB 4.07Å; H946-Y970 AromaticContact CE1-CD1 3.18Å; H946-Y970 WeakPolarHBondContact CE1-CD1 3.34Å; H946-Y970 AromaticContact CE1-CE1 3.78Å; H946-Y970 AromaticContact CE1-CG 3.85Å; H946-Y970 AromaticContact NE2-CD1 3.5Å; H946-Y970 AromaticContact NE2-CG 3.8Å
947	N	85.4	Confident	70.8	Confident	38 Å²	38	90.8 Å²	90.8	20%	0.203	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.1	-179.6	-54.6	-52.9	0	0	0	108.9	K945 Y970 T971 T973	K945-N947 WeakPolarHBondContact CD-OD1 3.41Å; K945-N947 VanDerWaalsContact CE-OD1 3.24Å; K945-N947 WeakPolarHBondContact CE-OD1 3.5Å; K945-N947 WeakPolarHBondContact CG-OD1 3.45Å; N947-Y970 WeakPolarHBondContact O-CA 3.46Å; N947-T971 PolarHBondContact N-O 3.26Å; N947-T971 PolarHBondContact O-N 3.36Å; N947-T973 PolarHBondContact ND2-OG1 3.4Å
948	A	79.9	Confident	67.8	Low	52 Å²	52	93.8 Å²	93.8	43%	0.43	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	114.4	174.3	0	0	0	0	0	108.7	K968 T969 Y970	A948-K968 HydrophobicContact CB-CB 4.35Å; A948-K968 HydrophobicContact CB-CD 4.11Å; A948-K968 HydrophobicContact CB-CG 4.48Å; A948-T969 WeakPolarHBondContact CA-O 3.28Å; A948-Y970 HydrophobicContact CB-CD1 3.73Å; A948-Y970 HydrophobicContact CB-CE1 3.59Å
949	T	72.5	Confident	64.7	Low	77 Å²	77	101.9 Å²	101.9	47%	0.472	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.7	175.4	33.1	0	0	0	0	109.4	K968 T969	T949-K968 CarbonylContact O-C 3.38Å; T949-K968 VanDerWaalsContact O-CA 3.32Å; T949-K968 WeakPolarHBondContact O-CA 3.18Å; T949-T969 PolarHBondContact N-O 3.22Å; T949-T969 PolarHBondContact O-N 3.12Å; T949-T969 PolarHBondContact O-OG1 3.43Å; T949-T969 PolarHBondContact OG1-O 2.9Å; T949-T969 PolarHBondContact OG1-OG1 3.49Å
950	V	63.3	Low	62	Low	85 Å²	85	98.8 Å²	98.8	52%	0.515	55%	0.545	S	S	.	.			trans	-89.7	114.9	170.6	-178	0	0	0	0	106.7	S966 K968	V950-S966 WeakPolarHBondContact CG1-OG 3.45Å; V950-K968 HydrophobicContact CG2-CD 4.37Å; V950-K968 HydrophobicContact CG2-CG 3.79Å
951	E	54.1	Low	59.4	Low	103 Å²	103	100.7 Å²	100.7	48%	0.481	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-68.5	133.6	175.1	-71.8	179.4	167.1	0	0	110.5
952	A	46.7	Very low	56.9	Low	98 Å²	98	104.8 Å²	104.8	81%	0.81	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-65.8	137.2	170.5	0	0	0	0	0	109.5	D954	A952-D954 PolarHBondContact O-N 3.36Å
953	N	46.3	Very low	54.4	Low	131 Å²	131	101.4 Å²	101.4	70%	0.701	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-60.6	132.8	176.4	-77	-23.5	0	0	0	110.1	P955	N953-P955 WeakPolarHBondContact O-CD 3.47Å
954	D	44.6	Very low	52	Low	83 Å²	83	100.3 Å²	100.3	44%	0.444	58%	0.581	S	S	.	*			trans	-53	112	175.7	-162.1	-7.2	0	0	0	110.2	A952 D956 K957	A952-D954 PolarHBondContact O-N 3.36Å; D954-D956 PolarHBondContact O-N 3.3Å; D954-K957 PolarHBondContact O-N 3.15Å
955	P	41.6	Very low	49.6	Very low	119 Å²	119	102.1 Å²	102.1	77%	0.773	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-15.7	-172.6	24.5	-31.2	0	0	0	113.7	N953	N953-P955 WeakPolarHBondContact O-CD 3.47Å
956	D	43	Very low	47.5	Very low	151 Å²	151	98.2 Å²	98.2	81%	0.807	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	1.3	-177.7	-78	-24	0	0	0	114.7	D954 G958	D954-D956 PolarHBondContact O-N 3.3Å; D956-G958 PolarHBondContact O-N 3.43Å
957	K	39.4	Very low	45.9	Very low	159 Å²	159	101.3 Å²	101.3	69%	0.691	60%	0.595	S	S	*	*	S	Bend	trans	-96.4	92	167.5	-75.5	-172	179.1	-179	0	109.7	D954 L959	D954-K957 PolarHBondContact O-N 3.15Å; K957-L959 PolarHBondContact O-N 3.02Å
958	G	31.1	Very low	44.9	Very low	64 Å²	64	104.7 Å²	104.7	66%	0.66	61%	0.608	S	S	*	*			trans	-42.6	136.5	168.4	0	0	0	0	0	111	D956 S960	D956-G958 PolarHBondContact O-N 3.43Å; G958-S960 VanDerWaalsContact C-N 3.34Å; G958-S960 PolarHBondContact O-N 3.39Å
959	L	27.6	Very low	44.4	Very low	170 Å²	170	105 Å²	105	89%	0.89	60%	0.604	S	S	*	*			trans	-34.9	89	-177.9	-71.5	129	0	0	0	112.7	K957	K957-L959 PolarHBondContact O-N 3.02Å
960	S	30.1	Very low	44.9	Very low	93 Å²	93	104.1 Å²	104.1	65%	0.65	59%	0.593	S	S	*	*			trans	-101.6	109.9	160	66.5	0	0	0	0	106	G958 N962	G958-S960 VanDerWaalsContact C-N 3.34Å; G958-S960 PolarHBondContact O-N 3.39Å; S960-N962 PolarHBondContact O-N 2.99Å
961	N	28.9	Very low	46.1	Very low	122 Å²	122	101.3 Å²	101.3	65%	0.652	58%	0.576	S	S	*	*			trans	-62	76.8	-179.2	-73.1	-20.3	0	0	0	111.1
962	N	31.6	Very low	47.8	Very low	99 Å²	99	96.4 Å²	96.4	53%	0.529	55%	0.553	S	S	.	*			trans	-134.6	101.7	159.8	-94.8	-54.6	0	0	0	105.1	S960 L964	S960-N962 PolarHBondContact O-N 2.99Å; N962-L964 PolarHBondContact O-N 3.4Å
963	G	29.5	Very low	49.9	Very low	67 Å²	67	93 Å²	93	69%	0.691	52%	0.522	S	S	*	.			trans	-56.9	86.4	174.4	0	0	0	0	0	110.9	I965	G963-I965 PolarHBondContact O-N 3.15Å
964	L	35.2	Very low	52	Low	122 Å²	122	87.2 Å²	87.2	64%	0.639	49%	0.491	S	S	*	.			trans	-75.9	102.9	160.6	-107.5	86.5	0	0	0	105.3	N962 S966	N962-L964 PolarHBondContact O-N 3.4Å; L964-S966 PolarHBondContact O-N 3.16Å; L964-S966 VanDerWaalsContact O-N 3.11Å
965	I	38.3	Very low	53.9	Low	126 Å²	126	84.6 Å²	84.6	65%	0.646	48%	0.478	S	S	*	.			trans	-48.9	120	162.9	-61.7	167.3	0	0	0	106.3	G963 R967	G963-I965 PolarHBondContact O-N 3.15Å; I965-R967 PolarHBondContact O-N 3.3Å
966	S	43.4	Very low	55.8	Low	53 Å²	53	82.1 Å²	82.1	37%	0.371	45%	0.453	S	S	.	.			trans	-60.9	102.9	175.1	53.1	0	0	0	0	107.8	V950 L964 K968	V950-S966 WeakPolarHBondContact CG1-OG 3.45Å; L964-S966 PolarHBondContact O-N 3.16Å; L964-S966 VanDerWaalsContact O-N 3.11Å; S966-K968 PolarHBondContact O-N 3.4Å
967	R	51.9	Low	57	Low	115 Å²	115	79 Å²	79	43%	0.434	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-69.3	122.6	177.3	-89.4	-175.4	175.4	179.3	-6.5	108.3	E199 I965 T969	E199-R967 IonicContact OE1-CZ 3.32Å; E199-R967 IonicContact OE1-NE 2.99Å; E199-R967 PolarHBondContact OE1-NE 3.07Å; E199-R967 IonicContact OE1-NH2 2.79Å; E199-R967 PolarHBondContact OE1-NH2 3.25Å; E199-R967 IonicContact OE2-NH2 3.82Å; I965-R967 PolarHBondContact O-N 3.3Å; R967-T969 PolarHBondContact O-N 2.89Å
968	K	63.6	Low	57.7	Low	110 Å²	110	75.8 Å²	75.8	48%	0.478	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-61.5	129.2	173.7	-71.3	171.2	178.2	-176.1	0	109.3	A948 T949 V950 S966 Y970	A948-K968 HydrophobicContact CB-CB 4.35Å; A948-K968 HydrophobicContact CB-CD 4.11Å; A948-K968 HydrophobicContact CB-CG 4.48Å; T949-K968 CarbonylContact O-C 3.38Å; T949-K968 VanDerWaalsContact O-CA 3.32Å; T949-K968 WeakPolarHBondContact O-CA 3.18Å; V950-K968 HydrophobicContact CG2-CD 4.37Å; V950-K968 HydrophobicContact CG2-CG 3.79Å; S966-K968 PolarHBondContact O-N 3.4Å; K968-Y970 HydrophobicContact CB-CE1 4.21Å; K968-Y970 HydrophobicContact CB-CE2 4Å
969	T	70.5	Confident	58.5	Low	58 Å²	58	78 Å²	78	36%	0.356	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	132.3	163.2	41.2	0	0	0	0	107.7	A948 T949 R967	A948-T969 WeakPolarHBondContact CA-O 3.28Å; T949-T969 PolarHBondContact N-O 3.22Å; T949-T969 PolarHBondContact O-N 3.12Å; T949-T969 PolarHBondContact O-OG1 3.43Å; T949-T969 PolarHBondContact OG1-O 2.9Å; T949-T969 PolarHBondContact OG1-OG1 3.49Å; R967-T969 PolarHBondContact O-N 2.89Å
970	Y	82.3	Confident	59.3	Low	58 Å²	58	78.9 Å²	78.9	23%	0.227	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.1	-177.9	-65.7	-77.5	0	0	0	109.5	L914 H946 N947 A948 K968	L914-Y970 WeakPolarHBondContact CD2-O 3.47Å; L914-Y970 WeakPolarHBondContact O-CD2 3.49Å; H946-Y970 AromaticContact CE1-CD1 3.18Å; H946-Y970 WeakPolarHBondContact CE1-CD1 3.34Å; H946-Y970 AromaticContact CE1-CE1 3.78Å; H946-Y970 AromaticContact CE1-CG 3.85Å; H946-Y970 AromaticContact NE2-CD1 3.5Å; H946-Y970 AromaticContact NE2-CG 3.8Å; N947-Y970 WeakPolarHBondContact O-CA 3.46Å; A948-Y970 HydrophobicContact CB-CD1 3.73Å; A948-Y970 HydrophobicContact CB-CE1 3.59Å; K968-Y970 HydrophobicContact CB-CE1 4.21Å; K968-Y970 HydrophobicContact CB-CE2 4Å
971	T	88	Confident	59.6	Low	27 Å²	27	80.9 Å²	80.9	17%	0.166	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.8	167.4	69.5	0	0	0	0	109.5	N947 E991 I992	N947-T971 PolarHBondContact N-O 3.26Å; N947-T971 PolarHBondContact O-N 3.36Å; T971-E991 WeakPolarHBondContact CB-OE1 3.4Å; T971-E991 WeakPolarHBondContact CG2-OE1 3.33Å; T971-E991 PolarHBondContact OG1-OE1 2.73Å; T971-I992 WeakPolarHBondContact CA-O 3.44Å
972	I	90.7	Very high	59.6	Low	0 Å²	0	85 Å²	85	0%	0	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.1	174.2	-61.7	157	0	0	0	107.9	L914 I934 L938 W944 K945 E991 I992	L914-I972 HydrophobicContact CD1-CD1 3.71Å; L914-I972 HydrophobicContact CD1-CG1 4.5Å; L914-I972 HydrophobicContact CD2-CD1 4.16Å; L914-I972 HydrophobicContact CD2-CG1 4.14Å; I934-I972 HydrophobicContact CD1-CD1 4.27Å; I934-I972 HydrophobicContact CG1-CD1 4.34Å; I934-I972 HydrophobicContact CG2-CD1 3.83Å; L938-I972 HydrophobicContact CD1-CD1 4.28Å; L938-I972 HydrophobicContact CD1-CG2 3.76Å; W944-I972 HydrophobicContact CB-CG2 4.15Å; K945-I972 WeakPolarHBondContact O-CA 3.22Å; I972-E991 CarbonylContact O-C 3.53Å; I972-E991 VanDerWaalsContact O-CA 3.31Å; I972-E991 WeakPolarHBondContact O-CA 3.28Å; I972-I992 HydrophobicContact CB-CB 4.15Å; I972-I992 PolarHBondContact N-O 2.93Å; I972-I992 PolarHBondContact O-N 2.69Å
973	T	90.4	Very high	59.9	Low	25 Å²	25	84.7 Å²	84.7	15%	0.153	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	138.1	167.2	53.4	0	0	0	0	110.3	W944 K945 N947 S990 E991	W944-T973 CarbonylContact C-O 3.6Å; W944-T973 WeakPolarHBondContact CA-O 3.19Å; K945-T973 PolarHBondContact N-O 3.46Å; K945-T973 PolarHBondContact O-N 3.23Å; N947-T973 PolarHBondContact ND2-OG1 3.4Å; T973-S990 CarbonylContact C-O 3.43Å; T973-S990 WeakPolarHBondContact CA-O 3.25Å; T973-E991 HydrophobicContact CG2-CB 4.38Å; T973-E991 HydrophobicContact CG2-CG 4.25Å
974	F	90.3	Very high	60.1	Low	10 Å²	10	88.4 Å²	88.4	4%	0.044	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	160.8	-174.1	74.2	-81.5	0	0	0	114.4	V941 K943 W944 W976 S990 I992 L1015	V941-F974 HydrophobicContact CG1-CB 3.75Å; V941-F974 HydrophobicContact CG1-CD2 3.78Å; V941-F974 HydrophobicContact CG1-CG 4.21Å; V941-F974 HydrophobicContact CG2-CD2 4.22Å; K943-F974 CarbonylContact O-C 3.6Å; K943-F974 VanDerWaalsContact O-CA 3.28Å; K943-F974 WeakPolarHBondContact O-CA 3.35Å; W944-F974 HydrophobicContact CB-CB 3.81Å; F974-W976 AromaticContact CE2-CE2 3.79Å; F974-W976 HydrophobicContact CE2-CZ2 4.06Å; F974-W976 AromaticContact CE2-NE1 3.51Å; F974-S990 WeakPolarHBondContact CD1-O 3.31Å; F974-S990 PolarHBondContact N-O 3.44Å; F974-S990 PolarHBondContact O-N 3.48Å; F974-I992 HydrophobicContact CD1-CD1 3.97Å; F974-I992 HydrophobicContact CD1-CG1 3.84Å; F974-I992 HydrophobicContact CE1-CD1 3.77Å; F974-I992 HydrophobicContact CE1-CG1 3.47Å; F974-I992 VanDerWaalsContact CE1-CG1 3.47Å; F974-I992 HydrophobicContact CZ-CG1 4.45Å; F974-L1015 HydrophobicContact CD2-CD2 4.26Å; F974-L1015 HydrophobicContact CE1-CD2 4.42Å; F974-L1015 HydrophobicContact CE2-CD2 3.69Å; F974-L1015 HydrophobicContact CZ-CD2 3.78Å
975	T	84.7	Confident	59.9	Low	28 Å²	28	90.8 Å²	90.8	17%	0.172	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.3	178.4	54.6	0	0	0	0	110.6	V941 F942 K943 Q989	V941-T975 WeakPolarHBondContact CG1-O 3.25Å; F942-T975 WeakPolarHBondContact CB-O 3.31Å; F942-T975 PolarHBondContact N-O 2.91Å; K943-T975 PolarHBondContact N-O 2.91Å; K943-T975 PolarHBondContact O-N 3.44Å; K943-T975 PolarHBondContact O-OG1 3.3Å; T975-Q989 HydrophobicContact CG2-CB 4.36Å; T975-Q989 HydrophobicContact CG2-CG 4.36Å
976	W	81.2	Confident	59.9	Low	68 Å²	68	91.8 Å²	91.8	26%	0.258	48%	0.475	S	S	.	.			trans	-78.9	151.5	170.9	-67.4	107	0	0	0	111.5	V941 F974 L1015 V1016 T1017	V941-W976 HydrophobicContact CG2-CH2 4.1Å; V941-W976 HydrophobicContact CG2-CZ3 4.07Å; F974-W976 AromaticContact CE2-CE2 3.79Å; F974-W976 HydrophobicContact CE2-CZ2 4.06Å; F974-W976 AromaticContact CE2-NE1 3.51Å; W976-L1015 HydrophobicContact CH2-CD2 4.28Å; W976-L1015 HydrophobicContact CH2-CG 4Å; W976-L1015 HydrophobicContact CZ2-CD2 4Å; W976-L1015 HydrophobicContact CZ2-CG 3.94Å; W976-V1016 VanDerWaalsContact CH2-C 3.48Å; W976-V1016 WeakPolarHBondContact CZ2-O 3.33Å; W976-T1017 HydrophobicContact CD2-CG2 4Å; W976-T1017 HydrophobicContact CE3-CG2 3.86Å; W976-T1017 HydrophobicContact CH2-CG2 4.02Å; W976-T1017 HydrophobicContact CZ2-CG2 4.13Å; W976-T1017 HydrophobicContact CZ3-CG2 3.87Å
977	D	68.5	Low	60.2	Low	85 Å²	85	92.9 Å²	92.9	46%	0.455	48%	0.482	S	S	.	.			trans	-77.8	128.3	170.6	-162.2	4.7	0	0	0	109.6	F942 T979	F942-D977 HydrophobicContact CB-CB 3.96Å; F942-D977 HydrophobicContact CD2-CB 4.06Å; F942-D977 HydrophobicContact CG-CB 4.26Å; D977-T979 VanDerWaalsContact C-N 3.28Å; D977-T979 PolarHBondContact O-N 3.03Å; D977-T979 WeakPolarHBondContact OD2-CG2 3.43Å; D977-T979 PolarHBondContact OD2-OG1 2.79Å; D977-T979 VanDerWaalsContact OD2-OG1 3.1Å
978	N	53.6	Low	60.5	Low	91 Å²	91	95.9 Å²	95.9	49%	0.487	50%	0.498	S	S	.	.			trans	-92.1	44.4	-178.5	-87.4	0.9	0	0	0	111.3	E980	N978-E980 VanDerWaalsContact C-N 3.31Å; N978-E980 PolarHBondContact O-N 3.27Å
979	T	48.4	Very low	60.7	Low	112 Å²	112	97 Å²	97	69%	0.687	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	11	-174.2	36.1	0	0	0	0	115.4	D977	D977-T979 VanDerWaalsContact C-N 3.28Å; D977-T979 PolarHBondContact O-N 3.03Å; D977-T979 WeakPolarHBondContact OD2-CG2 3.43Å; D977-T979 PolarHBondContact OD2-OG1 2.79Å; D977-T979 VanDerWaalsContact OD2-OG1 3.1Å
980	E	45.2	Very low	61.4	Low	188 Å²	188	96.1 Å²	96.1	88%	0.879	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	5.5	168.6	-80.3	-168.6	166.6	0	0	115.8	N978	N978-E980 VanDerWaalsContact C-N 3.31Å; N978-E980 PolarHBondContact O-N 3.27Å
981	N	35.3	Very low	61.7	Low	134 Å²	134	98.8 Å²	98.8	72%	0.717	52%	0.516	S	S	*	.			trans	-151.5	115.6	164.1	-91.9	-45.4	0	0	0	111.6	S983	N981-S983 PolarHBondContact O-N 3.11Å
982	Q	29.7	Very low	61.8	Low	210 Å²	210	97.5 Å²	97.5	98%	0.981	51%	0.508	S	S	*	.			trans	-68.2	79.5	168.1	-72.4	-178.9	-8.4	0	0	110.1
983	S	36.6	Very low	61.8	Low	91 Å²	91	99.6 Å²	99.6	64%	0.636	52%	0.523	S	S	*	.			trans	-148	106.3	151.5	55.9	0	0	0	0	109.1	N981 Q985	N981-S983 PolarHBondContact O-N 3.11Å; S983-Q985 PolarHBondContact O-N 2.69Å
984	V	34.7	Very low	61.8	Low	146 Å²	146	100.3 Å²	100.3	89%	0.885	53%	0.526	S	S	*	.			trans	-62.7	102.4	170.8	174.3	0	0	0	0	107.7
985	Q	31.2	Very low	61.9	Low	172 Å²	172	100.2 Å²	100.2	80%	0.804	53%	0.525	S	S	*	.	S	Bend	trans	-178.1	120.7	146.1	-99.5	163.4	14.8	0	0	110	S983	S983-Q985 PolarHBondContact O-N 2.69Å
986	N	37.8	Very low	62.2	Low	147 Å²	147	99.5 Å²	99.5	79%	0.786	52%	0.522	S	S	*	.			trans	79.6	69.6	175.4	-57.2	-19.8	0	0	0	117.7	K988	N986-K988 VanDerWaalsContact C-N 3.34Å; N986-K988 PolarHBondContact O-N 2.89Å
987	S	50.3	Low	62.8	Low	75 Å²	75	97 Å²	97	52%	0.524	51%	0.514	S	S	.	.			trans	-63.7	98.3	151.6	57.6	0	0	0	0	108.2	Q989	S987-Q989 PolarHBondContact O-N 3.29Å
988	K	58.2	Low	64	Low	178 Å²	178	93.8 Å²	93.8	77%	0.774	50%	0.496	S	S	*	.			trans	-67.1	101.7	-175.9	-152.8	178	-173.8	-176.6	0	109	N986 S990	N986-K988 VanDerWaalsContact C-N 3.34Å; N986-K988 PolarHBondContact O-N 2.89Å; K988-S990 PolarHBondContact O-N 2.93Å; K988-S990 PolarHBondContact O-OG 2.97Å
989	Q	67.2	Low	65.9	Low	133 Å²	133	90.7 Å²	90.7	62%	0.621	48%	0.481	S	S	*	.			trans	-61.9	121.9	175.2	-170.2	175	-3.9	0	0	108.4	T975 S987	T975-Q989 HydrophobicContact CG2-CB 4.36Å; T975-Q989 HydrophobicContact CG2-CG 4.36Å; S987-Q989 PolarHBondContact O-N 3.29Å
990	S	84.7	Confident	68.1	Low	41 Å²	41	85.4 Å²	85.4	29%	0.287	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	152.5	-178	-62.3	0	0	0	0	109.6	T973 F974 K988	T973-S990 CarbonylContact C-O 3.43Å; T973-S990 WeakPolarHBondContact CA-O 3.25Å; F974-S990 WeakPolarHBondContact CD1-O 3.31Å; F974-S990 PolarHBondContact N-O 3.44Å; F974-S990 PolarHBondContact O-N 3.48Å; K988-S990 PolarHBondContact O-N 2.93Å; K988-S990 PolarHBondContact O-OG 2.97Å
991	E	88.9	Confident	70.4	Confident	113 Å²	113	79.5 Å²	79.5	53%	0.528	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.7	179.8	-175.5	172.4	-173.1	0	0	110.2	T971 I972 T973	T971-E991 WeakPolarHBondContact CB-OE1 3.4Å; T971-E991 WeakPolarHBondContact CG2-OE1 3.33Å; T971-E991 PolarHBondContact OG1-OE1 2.73Å; I972-E991 CarbonylContact O-C 3.53Å; I972-E991 VanDerWaalsContact O-CA 3.31Å; I972-E991 WeakPolarHBondContact O-CA 3.28Å; T973-E991 HydrophobicContact CG2-CB 4.38Å; T973-E991 HydrophobicContact CG2-CG 4.25Å
992	I	91	Very high	73.2	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.2	171.9	-53	176.1	0	0	0	107.9	V911 I919 F937 L938 T971 I972 F974 L998 L1015	V911-I992 HydrophobicContact CG2-CG2 3.83Å; I919-I992 HydrophobicContact CD1-CG2 4.33Å; F937-I992 HydrophobicContact CE1-CD1 4.05Å; L938-I992 HydrophobicContact CD2-CD1 4.02Å; T971-I992 WeakPolarHBondContact CA-O 3.44Å; I972-I992 HydrophobicContact CB-CB 4.15Å; I972-I992 PolarHBondContact N-O 2.93Å; I972-I992 PolarHBondContact O-N 2.69Å; F974-I992 HydrophobicContact CD1-CD1 3.97Å; F974-I992 HydrophobicContact CD1-CG1 3.84Å; F974-I992 HydrophobicContact CE1-CD1 3.77Å; F974-I992 HydrophobicContact CE1-CG1 3.47Å; F974-I992 VanDerWaalsContact CE1-CG1 3.47Å; F974-I992 HydrophobicContact CZ-CG1 4.45Å; I992-L998 HydrophobicContact CB-CD1 4.45Å; I992-L998 HydrophobicContact CD1-CD1 3.8Å; I992-L998 HydrophobicContact CG1-CD1 3.92Å; I992-L998 HydrophobicContact CG1-CD2 4.36Å; I992-L998 HydrophobicContact CG2-CD1 3.79Å; I992-L1015 HydrophobicContact CD1-CD2 4.22Å
993	S	89.9	Confident	76.2	Confident	44 Å²	44	65.3 Å²	65.3	31%	0.308	35%	0.347	S	S	.	.			trans	-132.6	171.5	172.4	65.4	0	0	0	0	110.3	L995 S996	S993-L995 PolarHBondContact O-N 2.96Å; S993-S996 PolarHBondContact N-OG 3.26Å; S993-S996 WeakPolarHBondContact O-CB 3.43Å; S993-S996 PolarHBondContact O-N 3.37Å; S993-S996 PolarHBondContact O-OG 3.17Å; S993-S996 PolarHBondContact OG-OG 2.86Å; S993-S996 VanDerWaalsContact OG-OG 3.14Å
994	I	90	Very high	78.7	Confident	40 Å²	40	61.6 Å²	61.6	21%	0.205	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	136.3	173.4	-62.4	172	0	0	0	109.1	I696 L914 S996	I696-I994 HydrophobicContact CD1-CG2 3.8Å; L914-I994 HydrophobicContact CB-CG1 4.33Å; I994-S996 VanDerWaalsContact C-N 3.28Å; I994-S996 PolarHBondContact O-N 3.18Å
995	L	92.3	Very high	81	Confident	8 Å²	8	58.4 Å²	58.4	4%	0.042	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	9.5	-172.7	-54.2	170.1	0	0	0	115.8	I696 I723 L737 L741 M744 T910 V911 S993	I696-L995 HydrophobicContact CG2-CD1 3.93Å; I723-L995 HydrophobicContact CD1-CD1 3.38Å; L737-L995 HydrophobicContact CD2-CB 3.94Å; L737-L995 HydrophobicContact CD2-CD2 4.31Å; L741-L995 HydrophobicContact CD2-CD1 3.94Å; L741-L995 HydrophobicContact CD2-CD2 3.96Å; L741-L995 HydrophobicContact CG-CD2 4.25Å; M744-L995 HydrophobicContact SD-CD2 4.05Å; T910-L995 HydrophobicContact CG2-CD2 4.42Å; V911-L995 WeakPolarHBondContact O-CA 3.35Å; V911-L995 PolarHBondContact O-N 2.84Å; S993-L995 PolarHBondContact O-N 2.96Å
996	S	92.2	Very high	82.9	Confident	14 Å²	14	56.9 Å²	56.9	10%	0.098	29%	0.289	C	S	.	.			trans	-68.3	137.6	166.8	-58.8	0	0	0	0	110.3	T910 V911 S993 I994	T910-S996 WeakPolarHBondContact CA-O 3.43Å; V911-S996 PolarHBondContact N-O 3.47Å; S993-S996 PolarHBondContact N-OG 3.26Å; S993-S996 WeakPolarHBondContact O-CB 3.43Å; S993-S996 PolarHBondContact O-N 3.37Å; S993-S996 PolarHBondContact O-OG 3.17Å; S993-S996 PolarHBondContact OG-OG 2.86Å; S993-S996 VanDerWaalsContact OG-OG 3.14Å; I994-S996 VanDerWaalsContact C-N 3.28Å; I994-S996 PolarHBondContact O-N 3.18Å
997	I	93.4	Very high	84.3	Confident	16 Å²	16	56.5 Å²	56.5	8%	0.082	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.5	173.9	-57.7	173.5	0	0	0	108.6	Y729 F733 D736 L737 N908 G909 T910	Y729-I997 HydrophobicContact CD2-CD1 3.92Å; Y729-I997 HydrophobicContact CE2-CD1 3.73Å; Y729-I997 HydrophobicContact CE2-CG1 4.08Å; F733-I997 HydrophobicContact CB-CD1 3.44Å; F733-I997 VanDerWaalsContact CB-CD1 3.44Å; F733-I997 HydrophobicContact CD1-CD1 4.02Å; F733-I997 HydrophobicContact CD1-CG2 4.06Å; F733-I997 HydrophobicContact CD2-CD1 3.99Å; F733-I997 HydrophobicContact CE1-CG2 3.89Å; F733-I997 HydrophobicContact CE2-CG2 4.36Å; F733-I997 HydrophobicContact CG-CD1 3.55Å; F733-I997 HydrophobicContact CG-CG2 4.38Å; F733-I997 HydrophobicContact CZ-CG2 4.05Å; F733-I997 WeakPolarHBondContact O-CD1 3.49Å; D736-I997 HydrophobicContact CB-CD1 4.31Å; L737-I997 HydrophobicContact CG-CD1 4.23Å; N908-I997 HydrophobicContact CB-CG2 3.93Å; G909-I997 WeakPolarHBondContact O-CA 3.4Å; T910-I997 HydrophobicContact CG2-CG1 4.4Å
998	L	92.8	Very high	85.2	Confident	17 Å²	17	54.4 Å²	54.4	9%	0.089	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.6	-171.6	-60.5	173.2	0	0	0	111.4	G909 V911 F937 I992 C1000 L1015	G909-L998 PolarHBondContact N-O 2.89Å; G909-L998 PolarHBondContact O-N 3.21Å; V911-L998 HydrophobicContact CG2-CD1 3.81Å; F937-L998 HydrophobicContact CE1-CD1 4.13Å; F937-L998 HydrophobicContact CZ-CD1 4.01Å; I992-L998 HydrophobicContact CB-CD1 4.45Å; I992-L998 HydrophobicContact CD1-CD1 3.8Å; I992-L998 HydrophobicContact CG1-CD1 3.92Å; I992-L998 HydrophobicContact CG1-CD2 4.36Å; I992-L998 HydrophobicContact CG2-CD1 3.79Å; L998-C1000 PolarHBondContact O-N 2.89Å; L998-C1000 PolarHBondContact O-SG 3.2Å; L998-L1015 HydrophobicContact CB-CD1 3.82Å; L998-L1015 HydrophobicContact CD1-CD1 4.15Å; L998-L1015 HydrophobicContact CD2-CD1 4.34Å; L998-L1015 HydrophobicContact CG-CD1 4.33Å
999	P	93.6	Very high	86	Confident	26 Å²	26	46.9 Å²	46.9	17%	0.169	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	122.4	171.9	29.1	-35.2	0	0	0	110.8	V1016 I1021	P999-V1016 HydrophobicContact CB-CG2 4.2Å; P999-V1016 VanDerWaalsContact CG-O 3.27Å; P999-V1016 WeakPolarHBondContact CG-O 3.37Å; P999-V1016 WeakPolarHBondContact O-CG2 3.29Å; P999-V1016 PolarHBondContact O-N 3.41Å; P999-V1016 VanDerWaalsContact O-N 3.15Å; P999-I1021 HydrophobicContact CB-CD1 3.44Å; P999-I1021 VanDerWaalsContact CB-CD1 3.44Å; P999-I1021 HydrophobicContact CB-CG1 4.1Å
1000	C	94.5	Very high	86.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.2	-172.2	-66.3	0	0	0	0	111.5	Y906 E907 I923 L998 V1013 E1014	Y906-C1000 WeakPolarHBondContact CA-O 3.38Å; E907-C1000 PolarHBondContact N-O 3.43Å; E907-C1000 WeakPolarHBondContact O-CA 3.41Å; E907-C1000 WeakPolarHBondContact O-CB 3.09Å; E907-C1000 PolarHBondContact O-N 3.08Å; E907-C1000 VanDerWaalsContact O-O 3.13Å; I923-C1000 HydrophobicContact CD1-CB 4.23Å; L998-C1000 PolarHBondContact O-N 2.89Å; L998-C1000 PolarHBondContact O-SG 3.2Å; C1000-V1013 HydrophobicContact CB-CG2 3.6Å; C1000-E1014 WeakPolarHBondContact CA-O 3.4Å
1001	R	94.5	Very high	86.9	Confident	64 Å²	64	40.3 Å²	40.3	24%	0.242	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122.7	163.8	176.9	175.7	175.5	-98.9	-1	108.9	P904 Y906 V1013 E1014 V1016	P904-R1001 HydrophobicContact CB-CG 4.01Å; Y906-R1001 HydrophobicContact CD1-CB 3.94Å; Y906-R1001 HydrophobicContact CD1-CG 4.26Å; Y906-R1001 HydrophobicContact CE1-CB 3.76Å; Y906-R1001 HydrophobicContact CE1-CG 3.79Å; Y906-R1001 HydrophobicContact CE2-CG 4.49Å; Y906-R1001 WeakPolarHBondContact OH-CD 3.32Å; Y906-R1001 PolarHBondContact OH-NE 3.04Å; R1001-V1013 WeakPolarHBondContact O-CA 3.49Å; R1001-E1014 HydrophobicContact CB-CG 3.93Å; R1001-E1014 VanDerWaalsContact CD-OE1 3.27Å; R1001-E1014 WeakPolarHBondContact CD-OE1 3.39Å; R1001-E1014 IonicContact CZ-OE1 3.85Å; R1001-E1014 PolarHBondContact N-O 3.48Å; R1001-E1014 IonicContact NE-OE1 3.42Å; R1001-E1014 IonicContact NH1-OE1 3.4Å; R1001-E1014 PolarHBondContact NH1-OE1 3.41Å; R1001-E1014 PolarHBondContact O-N 2.74Å; R1001-V1016 HydrophobicContact CB-CG1 3.65Å
1002	V	93.7	Very high	87	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.3	179.9	179.9	0	0	0	0	109.3	L899 P904 F905 I923 L928 I930 L1012 V1013	L899-V1002 HydrophobicContact CD1-CG1 4Å; L899-V1002 HydrophobicContact CD2-CG1 4.39Å; P904-V1002 CarbonylContact C-O 3.57Å; P904-V1002 WeakPolarHBondContact CA-O 3.48Å; P904-V1002 WeakPolarHBondContact CB-O 3.24Å; F905-V1002 HydrophobicContact CD1-CB 4.28Å; F905-V1002 HydrophobicContact CD1-CG1 4.48Å; F905-V1002 HydrophobicContact CD2-CB 4.26Å; F905-V1002 HydrophobicContact CD2-CG2 4.47Å; F905-V1002 HydrophobicContact CE1-CB 3.87Å; F905-V1002 HydrophobicContact CE1-CG1 3.73Å; F905-V1002 HydrophobicContact CE2-CB 3.83Å; F905-V1002 HydrophobicContact CE2-CG1 4.39Å; F905-V1002 HydrophobicContact CE2-CG2 3.78Å; F905-V1002 HydrophobicContact CG-CB 4.46Å; F905-V1002 HydrophobicContact CZ-CB 3.62Å; F905-V1002 HydrophobicContact CZ-CG1 3.67Å; F905-V1002 HydrophobicContact CZ-CG2 3.86Å; F905-V1002 PolarHBondContact N-O 3.29Å; F905-V1002 PolarHBondContact O-N 3.41Å; I923-V1002 HydrophobicContact CD1-CG2 3.93Å; I923-V1002 HydrophobicContact CG1-CG2 3.96Å; L928-V1002 HydrophobicContact CD2-CG1 4.19Å; I930-V1002 HydrophobicContact CD1-CB 4.41Å; I930-V1002 HydrophobicContact CD1-CG1 3.56Å; I930-V1002 HydrophobicContact CD1-CG2 4.04Å; V1002-L1012 WeakPolarHBondContact CA-O 3.43Å; V1002-V1013 HydrophobicContact CG2-CG2 4.25Å
1003	F	92.4	Very high	87.2	Confident	46 Å²	46	36.8 Å²	36.8	20%	0.202	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	170.8	-175	65.1	-82.8	0	0	0	112.1	P904 P1011 L1012 E1014	P904-F1003 HydrophobicContact CB-CB 3.9Å; F1003-P1011 CarbonylContact O-C 3.51Å; F1003-P1011 WeakPolarHBondContact O-CA 3.36Å; F1003-L1012 HydrophobicContact CD1-CB 4.29Å; F1003-L1012 HydrophobicContact CD2-CB 4.2Å; F1003-L1012 HydrophobicContact CE1-CB 3.87Å; F1003-L1012 HydrophobicContact CE2-CB 3.77Å; F1003-L1012 HydrophobicContact CE2-CD1 3.68Å; F1003-L1012 HydrophobicContact CE2-CG 4.35Å; F1003-L1012 HydrophobicContact CG-CB 4.44Å; F1003-L1012 HydrophobicContact CZ-CB 3.59Å; F1003-L1012 HydrophobicContact CZ-CD1 3.95Å; F1003-L1012 HydrophobicContact CZ-CG 4.45Å; F1003-L1012 PolarHBondContact N-O 2.95Å; F1003-L1012 PolarHBondContact O-N 2.76Å; F1003-E1014 HydrophobicContact CE1-CB 4.23Å; F1003-E1014 HydrophobicContact CE1-CG 3.94Å
1004	C	89.9	Confident	87.4	Confident	14 Å²	14	35.5 Å²	35.5	10%	0.095	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.3	177.6	177.3	0	0	0	0	111.1	T896 L899 R900 Q1006	T896-C1004 HydrophobicContact CG2-CB 4.04Å; T896-C1004 WeakPolarHBondContact CG2-SG 3.33Å; L899-C1004 HydrophobicContact CB-CB 3.69Å; R900-C1004 HydrophobicContact CB-CB 4.27Å; C1004-Q1006 PolarHBondContact O-N 3.25Å
1005	H	83	Confident	87.6	Confident	78 Å²	78	33.7 Å²	33.7	36%	0.361	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	116.8	161.8	-171.6	-96.3	0	0	0	109.8	N1007 T1008 L1009 T1010 L1012	H1005-N1007 VanDerWaalsContact C-N 3.31Å; H1005-N1007 PolarHBondContact O-N 2.88Å; H1005-T1008 WeakPolarHBondContact CB-OG1 3.32Å; H1005-T1008 WeakPolarHBondContact ND1-CG2 3.29Å; H1005-T1008 PolarHBondContact ND1-OG1 2.87Å; H1005-T1008 PolarHBondContact O-N 3.26Å; H1005-L1009 PolarHBondContact O-N 3.17Å; H1005-L1009 VanDerWaalsContact O-N 3.16Å; H1005-T1010 PolarHBondContact N-O 3.38Å; H1005-L1012 HydrophobicContact CB-CD1 3.86Å; H1005-L1012 HydrophobicContact CB-CG 4.42Å
1006	Q	70.6	Confident	87.5	Confident	141 Å²	141	33.8 Å²	33.8	66%	0.659	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-35.3	-165.2	-71.6	-178.1	-18.2	0	0	114.2	C1004	C1004-Q1006 PolarHBondContact O-N 3.25Å
1007	N	66.7	Low	87.1	Confident	139 Å²	139	35.2 Å²	35.2	74%	0.743	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-25.2	-173.5	-67.1	-15.5	0	0	0	113.6	H1005	H1005-N1007 VanDerWaalsContact C-N 3.31Å; H1005-N1007 PolarHBondContact O-N 2.88Å
1008	T	68.5	Low	86.2	Confident	30 Å²	30	38.4 Å²	38.4	18%	0.184	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-8	-166.1	57.7	0	0	0	0	112.3	P187 H1005 T1010	P187-T1008 HydrophobicContact CG-CG2 3.41Å; P187-T1008 VanDerWaalsContact CG-CG2 3.41Å; H1005-T1008 WeakPolarHBondContact CB-OG1 3.32Å; H1005-T1008 WeakPolarHBondContact ND1-CG2 3.29Å; H1005-T1008 PolarHBondContact ND1-OG1 2.87Å; H1005-T1008 PolarHBondContact O-N 3.26Å; T1008-T1010 PolarHBondContact O-N 3.08Å; T1008-T1010 PolarHBondContact OG1-OG1 3.22Å
1009	L	76.5	Confident	85	Confident	21 Å²	21	42.8 Å²	42.8	11%	0.11	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	47.8	-175.8	-58.8	176.4	0	0	0	111.3	L893 T896 H1005	L893-L1009 HydrophobicContact CD1-CD1 4.39Å; T896-L1009 HydrophobicContact CG2-CB 4.16Å; T896-L1009 WeakPolarHBondContact CG2-O 3.46Å; H1005-L1009 PolarHBondContact O-N 3.17Å; H1005-L1009 VanDerWaalsContact O-N 3.16Å
1010	T	81.1	Confident	83.6	Confident	26 Å²	26	45.4 Å²	45.4	16%	0.16	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.2	175.1	52	0	0	0	0	110.5	L189 H1005 T1008	L189-T1010 HydrophobicContact CD1-CG2 4.24Å; H1005-T1010 PolarHBondContact N-O 3.38Å; T1008-T1010 PolarHBondContact O-N 3.08Å; T1008-T1010 PolarHBondContact OG1-OG1 3.22Å
1011	P	88.9	Confident	82.3	Confident	9 Å²	9	46.7 Å²	46.7	6%	0.058	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	138.1	172.5	30.6	-32.9	0	0	0	109.6	H892 L899 I930 F1003	H892-P1011 WeakPolarHBondContact CE1-CD 3.37Å; H892-P1011 VanDerWaalsContact NE2-CD 3.26Å; H892-P1011 WeakPolarHBondContact NE2-CD 3.41Å; H892-P1011 VanDerWaalsContact NE2-CG 3.28Å; H892-P1011 WeakPolarHBondContact NE2-CG 3.4Å; L899-P1011 HydrophobicContact CD1-CB 4.15Å; I930-P1011 HydrophobicContact CD1-CB 4.28Å; I930-P1011 HydrophobicContact CG1-CB 4.48Å; F1003-P1011 CarbonylContact O-C 3.51Å; F1003-P1011 WeakPolarHBondContact O-CA 3.36Å
1012	L	91.8	Very high	80.4	Confident	37 Å²	37	48 Å²	48	19%	0.194	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	159.6	176.1	-66.7	177.4	0	0	0	109.3	V1002 F1003 H1005	V1002-L1012 WeakPolarHBondContact CA-O 3.43Å; F1003-L1012 HydrophobicContact CD1-CB 4.29Å; F1003-L1012 HydrophobicContact CD2-CB 4.2Å; F1003-L1012 HydrophobicContact CE1-CB 3.87Å; F1003-L1012 HydrophobicContact CE2-CB 3.77Å; F1003-L1012 HydrophobicContact CE2-CD1 3.68Å; F1003-L1012 HydrophobicContact CE2-CG 4.35Å; F1003-L1012 HydrophobicContact CG-CB 4.44Å; F1003-L1012 HydrophobicContact CZ-CB 3.59Å; F1003-L1012 HydrophobicContact CZ-CD1 3.95Å; F1003-L1012 HydrophobicContact CZ-CG 4.45Å; F1003-L1012 PolarHBondContact N-O 2.95Å; F1003-L1012 PolarHBondContact O-N 2.76Å; H1005-L1012 HydrophobicContact CB-CD1 3.86Å; H1005-L1012 HydrophobicContact CB-CG 4.42Å
1013	V	94.3	Very high	78.2	Confident	2 Å²	2	54 Å²	54	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	139.6	178.4	66.3	0	0	0	0	109.7	I921 I930 T932 F937 C1000 R1001 V1002	I921-V1013 HydrophobicContact CD1-CG1 4Å; I921-V1013 HydrophobicContact CD1-CG2 4.35Å; I930-V1013 HydrophobicContact CB-CB 4.4Å; I930-V1013 HydrophobicContact CB-CG1 4.1Å; I930-V1013 HydrophobicContact CD1-CB 4.11Å; I930-V1013 HydrophobicContact CG2-CB 4.1Å; I930-V1013 HydrophobicContact CG2-CG1 3.77Å; T932-V1013 HydrophobicContact CG2-CG1 3.61Å; F937-V1013 HydrophobicContact CD2-CG1 4.12Å; F937-V1013 HydrophobicContact CE2-CG1 4.43Å; F937-V1013 HydrophobicContact CE2-CG2 4.28Å; C1000-V1013 HydrophobicContact CB-CG2 3.6Å; R1001-V1013 WeakPolarHBondContact O-CA 3.49Å; V1002-V1013 HydrophobicContact CG2-CG2 4.25Å
1014	E	94	Very high	76.2	Confident	18 Å²	18	57.1 Å²	57.1	8%	0.084	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	151.8	173.2	66.7	-176.8	172	0	0	111.4	N940 C1000 R1001 F1003 V1016	N940-E1014 VanDerWaalsContact ND2-CD 3.28Å; N940-E1014 PolarHBondContact ND2-OE2 3.39Å; C1000-E1014 WeakPolarHBondContact CA-O 3.4Å; R1001-E1014 HydrophobicContact CB-CG 3.93Å; R1001-E1014 VanDerWaalsContact CD-OE1 3.27Å; R1001-E1014 WeakPolarHBondContact CD-OE1 3.39Å; R1001-E1014 IonicContact CZ-OE1 3.85Å; R1001-E1014 PolarHBondContact N-O 3.48Å; R1001-E1014 IonicContact NE-OE1 3.42Å; R1001-E1014 IonicContact NH1-OE1 3.4Å; R1001-E1014 PolarHBondContact NH1-OE1 3.41Å; R1001-E1014 PolarHBondContact O-N 2.74Å; F1003-E1014 HydrophobicContact CE1-CB 4.23Å; F1003-E1014 HydrophobicContact CE1-CG 3.94Å; E1014-V1016 HydrophobicContact CG-CG1 4.41Å
1015	L	94.1	Very high	73.9	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	133	175.5	-173.2	65.1	0	0	0	109.8	F937 L938 V941 F974 W976 I992 L998	F937-L1015 HydrophobicContact CD1-CB 4.29Å; F937-L1015 HydrophobicContact CE1-CB 3.81Å; F937-L1015 HydrophobicContact CE1-CD1 4.32Å; F937-L1015 HydrophobicContact CE1-CD2 4.42Å; F937-L1015 HydrophobicContact CE1-CG 4.41Å; F937-L1015 HydrophobicContact CE2-CB 4.07Å; F937-L1015 HydrophobicContact CZ-CB 3.68Å; F937-L1015 HydrophobicContact CZ-CD1 3.95Å; F937-L1015 HydrophobicContact CZ-CG 4.33Å; F937-L1015 WeakPolarHBondContact O-CB 3.49Å; F937-L1015 PolarHBondContact O-N 3.42Å; L938-L1015 HydrophobicContact CD2-CB 4.4Å; L938-L1015 HydrophobicContact CD2-CD2 3.73Å; V941-L1015 HydrophobicContact CG2-CD2 3.94Å; F974-L1015 HydrophobicContact CD2-CD2 4.26Å; F974-L1015 HydrophobicContact CE1-CD2 4.42Å; F974-L1015 HydrophobicContact CE2-CD2 3.69Å; F974-L1015 HydrophobicContact CZ-CD2 3.78Å; W976-L1015 HydrophobicContact CH2-CD2 4.28Å; W976-L1015 HydrophobicContact CH2-CG 4Å; W976-L1015 HydrophobicContact CZ2-CD2 4Å; W976-L1015 HydrophobicContact CZ2-CG 3.94Å; I992-L1015 HydrophobicContact CD1-CD2 4.22Å; L998-L1015 HydrophobicContact CB-CD1 3.82Å; L998-L1015 HydrophobicContact CD1-CD1 4.15Å; L998-L1015 HydrophobicContact CD2-CD1 4.34Å; L998-L1015 HydrophobicContact CG-CD1 4.33Å
1016	V	90.6	Very high	71.4	Confident	9 Å²	9	67.1 Å²	67.1	6%	0.055	37%	0.372	C	S	.	.			trans	-126.3	173	175.7	-64.5	0	0	0	0	111	Y906 W976 P999 R1001 E1014 H1020	Y906-V1016 HydrophobicContact CD1-CG2 4.21Å; Y906-V1016 HydrophobicContact CE1-CG1 4.39Å; W976-V1016 VanDerWaalsContact CH2-C 3.48Å; W976-V1016 WeakPolarHBondContact CZ2-O 3.33Å; P999-V1016 HydrophobicContact CB-CG2 4.2Å; P999-V1016 VanDerWaalsContact CG-O 3.27Å; P999-V1016 WeakPolarHBondContact CG-O 3.37Å; P999-V1016 WeakPolarHBondContact O-CG2 3.29Å; P999-V1016 PolarHBondContact O-N 3.41Å; P999-V1016 VanDerWaalsContact O-N 3.15Å; R1001-V1016 HydrophobicContact CB-CG1 3.65Å; E1014-V1016 HydrophobicContact CG-CG1 4.41Å; V1016-H1020 HydrophobicContact CB-CB 4.48Å; V1016-H1020 HydrophobicContact CG2-CB 4.26Å
1017	T	83.6	Confident	71.5	Confident	45 Å²	45	63.4 Å²	63.4	28%	0.276	36%	0.358	S	S	.	.			trans	-78.9	153.2	171.3	67.5	0	0	0	0	110.7	W976 N1019 H1020	W976-T1017 HydrophobicContact CD2-CG2 4Å; W976-T1017 HydrophobicContact CE3-CG2 3.86Å; W976-T1017 HydrophobicContact CH2-CG2 4.02Å; W976-T1017 HydrophobicContact CZ2-CG2 4.13Å; W976-T1017 HydrophobicContact CZ3-CG2 3.87Å; T1017-N1019 PolarHBondContact O-N 3.21Å; T1017-N1019 VanDerWaalsContact O-N 3.11Å; T1017-H1020 PolarHBondContact O-N 3.44Å; T1017-H1020 VanDerWaalsContact O-N 3.13Å; T1017-H1020 PolarHBondContact OG1-CD2 3.38Å
1018	S	74.8	Confident	71.7	Confident	83 Å²	83	59.4 Å²	59.4	58%	0.58	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.2	-179.3	50.9	0	0	0	0	113.9	H1020 I1021	S1018-H1020 PolarHBondContact O-N 3.44Å; S1018-I1021 PolarHBondContact O-N 3.02Å
1019	N	67.5	Low	71.9	Confident	108 Å²	108	61.1 Å²	61.1	58%	0.578	35%	0.346	S	S	*	.	H	α-helix	trans	-65.1	-21	-179.8	-65.1	-6.2	0	0	0	113	T1017 S1022	T1017-N1019 PolarHBondContact O-N 3.21Å; T1017-N1019 VanDerWaalsContact O-N 3.11Å; N1019-S1022 PolarHBondContact O-OG 3.41Å; N1019-S1022 VanDerWaalsContact O-OG 3.1Å
1020	H	64.9	Low	71.6	Confident	81 Å²	81	63.4 Å²	63.4	38%	0.375	36%	0.36	S	S	.	.	H	α-helix	trans	-74.7	-29.8	179	-72.7	-70.7	0	0	0	113.2	Y906 V1016 T1017 S1018	Y906-H1020 HydrophobicContact CD1-CB 3.8Å; Y906-H1020 HydrophobicContact CE1-CB 3.81Å; V1016-H1020 HydrophobicContact CB-CB 4.48Å; V1016-H1020 HydrophobicContact CG2-CB 4.26Å; T1017-H1020 PolarHBondContact O-N 3.44Å; T1017-H1020 VanDerWaalsContact O-N 3.13Å; T1017-H1020 PolarHBondContact OG1-CD2 3.38Å; S1018-H1020 PolarHBondContact O-N 3.44Å
1021	I	66.6	Low	71	Confident	27 Å²	27	65.8 Å²	65.8	14%	0.138	37%	0.372	C	S	.	.	H	α-helix	trans	-70.8	-40.1	178.9	-62.7	-176.5	0	0	0	110.7	N908 P999 S1018 N1023	N908-I1021 VanDerWaalsContact OD1-CD1 3.29Å; N908-I1021 WeakPolarHBondContact OD1-CD1 3.43Å; P999-I1021 HydrophobicContact CB-CD1 3.44Å; P999-I1021 VanDerWaalsContact CB-CD1 3.44Å; P999-I1021 HydrophobicContact CB-CG1 4.1Å; S1018-I1021 PolarHBondContact O-N 3.02Å; I1021-N1023 VanDerWaalsContact C-N 3.31Å; I1021-N1023 PolarHBondContact O-N 2.96Å
1022	S	55.4	Low	69.8	Low	92 Å²	92	69.5 Å²	69.5	64%	0.643	39%	0.393	S	S	*	.	H	α-helix	trans	-70.7	-23.3	-176.1	56.2	0	0	0	0	114.2	N1019	N1019-S1022 PolarHBondContact O-OG 3.41Å; N1019-S1022 VanDerWaalsContact O-OG 3.1Å
1023	N	46.8	Very low	68.3	Low	127 Å²	127	71.9 Å²	71.9	68%	0.679	41%	0.407	S	S	*	.	H	α-helix	trans	-100.7	-8.4	-169.5	-74.5	-5.6	0	0	0	115	I1021	I1021-N1023 VanDerWaalsContact C-N 3.31Å; I1021-N1023 PolarHBondContact O-N 2.96Å
1024	Q	50.5	Low	66.3	Low	110 Å²	110	77.2 Å²	77.2	51%	0.514	44%	0.438	S	S	.	.	H	α-helix	trans	-130.9	1	-170.7	-69	-160.5	-11.1	0	0	116.7	Y906 V1026	Y906-Q1024 HydrophobicContact CD2-CB 4.36Å; Q1024-V1026 PolarHBondContact O-N 3.4Å
1025	N	42.5	Very low	64	Low	99 Å²	99	82.2 Å²	82.2	53%	0.529	47%	0.467	S	S	.	.			trans	-77.8	41.4	175.6	-79	-6.6	0	0	0	113.7	Y906	Y906-N1025 PolarHBondContact O-OD1 2.67Å
1026	V	30.4	Very low	61.2	Low	203 Å²	203	89.5 Å²	89.5	100%	1.23	51%	0.509	S	S	*	.			trans	-101.5	0	174.7	179.4	0	0	0	0	110.7	Q1024	Q1024-V1026 PolarHBondContact O-N 3.4Å

Retrieved 1,026 of 1,026 residues in 864.5 ms (Link to these results)

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